| 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 | 38.8 | Very low | 61.1 | Low | 245 Ų | 245 | 92.3 Ų | 92.3 | 100% | 1.207 | 53% | 0.527 | S | S | * | . | 0 | 97.8 | 0 | -77.8 | 171.1 | 171.6 | 0 | 0 | 107.1 | C3 | M1-C3 PolarHBondContact O-N 3.24Š| |||
| 2 | A | 35.4 | Very low | 63.6 | Low | 98 Ų | 98 | 84.7 Ų | 84.7 | 81% | 0.81 | 48% | 0.483 | S | S | * | . | trans | -71.1 | 112 | 174.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | V4 | A2-V4 PolarHBondContact O-N 3.06Š| ||
| 3 | C | 41.3 | Very low | 65.8 | Low | 122 Ų | 122 | 78.2 Ų | 78.2 | 82% | 0.824 | 45% | 0.447 | S | S | * | . | trans | -64.8 | 105.5 | 174.5 | -158.4 | 0 | 0 | 0 | 0 | 107.1 | M1 K5 | M1-C3 PolarHBondContact O-N 3.24Å; C3-K5 PolarHBondContact O-N 3.05Å | ||
| 4 | V | 47.4 | Very low | 67.8 | Low | 117 Ų | 117 | 72.6 Ų | 72.6 | 71% | 0.709 | 42% | 0.415 | S | S | * | . | trans | -60.7 | 110.3 | 170.3 | 178.4 | 0 | 0 | 0 | 0 | 105.7 | A2 C6 | A2-V4 PolarHBondContact O-N 3.06Å; V4-C6 PolarHBondContact O-N 3.46Å | ||
| 5 | K | 51.3 | Low | 69.6 | Low | 182 Ų | 182 | 70 Ų | 70 | 79% | 0.791 | 40% | 0.399 | S | S | * | . | trans | -67.1 | 87.6 | 169.9 | -77.5 | -176 | 175.6 | -177.4 | 0 | 107.3 | C3 H7 | C3-K5 PolarHBondContact O-N 3.05Å; K5-H7 PolarHBondContact O-N 3.33Å; K5-H7 PolarHBondContact O-ND1 3.13Å; K5-H7 VanDerWaalsContact O-ND1 3.13Å | ||
| 6 | C | 56.4 | Low | 71.1 | Confident | 52 Ų | 52 | 65.6 Ų | 65.6 | 35% | 0.351 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 121.4 | 167.5 | -69.6 | 0 | 0 | 0 | 0 | 107.5 | V4 L135 | V4-C6 PolarHBondContact O-N 3.46Å; C6-L135 HydrophobicContact CB-CD2 4.33Å |
| 7 | H | 66.6 | Low | 72.3 | Confident | 101 Ų | 101 | 64.6 Ų | 64.6 | 47% | 0.468 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -79.3 | 137.7 | 175.3 | -69.1 | 64.9 | 0 | 0 | 0 | 108 | K5 L79 | K5-H7 PolarHBondContact O-N 3.33Å; K5-H7 PolarHBondContact O-ND1 3.13Å; K5-H7 VanDerWaalsContact O-ND1 3.13Å; H7-L79 HydrophobicContact CB-CD1 3.56Å; H7-L79 HydrophobicContact CB-CD2 4.32Å; H7-L79 HydrophobicContact CB-CG 3.89Å |
| 8 | P | 76.8 | Confident | 73.3 | Confident | 27 Ų | 27 | 62.6 Ų | 62.6 | 18% | 0.175 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 144.1 | 178 | 15.7 | -21.2 | 0 | 0 | 0 | 111.3 | L80 L83 V132 | P8-L80 HydrophobicContact CB-CB 4.41Å; P8-L80 WeakPolarHBondContact CD-O 3.43Å; P8-L80 HydrophobicContact CG-CB 4.02Å; P8-L80 WeakPolarHBondContact O-CB 3.5Å; P8-L80 PolarHBondContact O-N 3.34Å; P8-L83 HydrophobicContact CB-CD2 4.07Å; P8-L83 HydrophobicContact CG-CD2 3.88Å; P8-L83 HydrophobicContact CG-CG 4.36Å; P8-V132 HydrophobicContact CB-CG1 3.37Å |
| 9 | T | 82.6 | Confident | 74.2 | Confident | 44 Ų | 44 | 64.7 Ų | 64.7 | 27% | 0.27 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 146.3 | 176.5 | 45.7 | 0 | 0 | 0 | 0 | 111.5 | L78 L79 S133 | T9-L78 WeakPolarHBondContact CA-O 3.43Å; T9-L79 HydrophobicContact CG2-CD1 3.58Å; T9-S133 PolarHBondContact N-O 3.36Å; T9-S133 PolarHBondContact O-N 2.85Å; T9-S133 PolarHBondContact OG1-OG 2.91Å |
| 10 | V | 86.7 | Confident | 75 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.006 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 133.3 | 172.7 | 178.2 | 0 | 0 | 0 | 0 | 108.9 | F12 L78 L80 F122 V132 I146 | V10-F12 HydrophobicContact CG1-CE1 4.3Å; V10-F12 HydrophobicContact CG1-CE2 4.3Å; V10-F12 HydrophobicContact CG1-CZ 4.03Å; V10-L78 PolarHBondContact N-O 2.96Å; V10-L78 PolarHBondContact O-N 3.48Å; V10-L80 HydrophobicContact CG2-CD1 3.53Å; V10-L80 HydrophobicContact CG2-CG 4.17Å; V10-F122 HydrophobicContact CG1-CD2 4.44Å; V10-F122 HydrophobicContact CG1-CE2 3.9Å; V10-F122 HydrophobicContact CG1-CZ 4.1Å; V10-F122 HydrophobicContact CG2-CE1 4.03Å; V10-F122 HydrophobicContact CG2-CE2 4.25Å; V10-F122 HydrophobicContact CG2-CZ 3.6Å; V10-V132 HydrophobicContact CG2-CG2 3.92Å; V10-I146 HydrophobicContact CG1-CD1 3.92Å |
| 11 | S | 88.3 | Confident | 75.9 | Confident | 26 Ų | 26 | 60.1 Ų | 60.1 | 18% | 0.182 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 131.4 | 179 | -63.7 | 0 | 0 | 0 | 0 | 111 | I146 | S11-I146 PolarHBondContact O-N 3.29Å |
| 12 | F | 91 | Very high | 78.4 | Confident | 1 Ų | 1 | 51 Ų | 51 | 0% | 0.004 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 135.7 | 171.8 | -59.7 | -75 | 0 | 0 | 0 | 110 | V10 H75 C76 L78 F86 Y88 F90 I146 M148 | V10-F12 HydrophobicContact CG1-CE1 4.3Å; V10-F12 HydrophobicContact CG1-CE2 4.3Å; V10-F12 HydrophobicContact CG1-CZ 4.03Å; F12-H75 CarbonylContact O-C 3.57Å; F12-H75 VanDerWaalsContact O-CA 3.26Å; F12-H75 WeakPolarHBondContact O-CA 3.31Å; F12-H75 PolarHBondContact O-ND1 2.95Å; F12-C76 PolarHBondContact N-O 3.04Å; F12-C76 PolarHBondContact O-N 2.83Å; F12-L78 HydrophobicContact CE2-CB 4.09Å; F12-L78 HydrophobicContact CE2-CD2 3.94Å; F12-F86 HydrophobicContact CE2-CZ 4.4Å; F12-F86 AromaticContact CZ-CE2 3.96Å; F12-F86 HydrophobicContact CZ-CE2 3.96Å; F12-F86 AromaticContact CZ-CZ 3.84Å; F12-F86 HydrophobicContact CZ-CZ 3.84Å; F12-Y88 HydrophobicContact CD1-CE2 4.26Å; F12-Y88 HydrophobicContact CE1-CE1 4.1Å; F12-Y88 AromaticContact CE1-CE2 3.96Å; F12-Y88 HydrophobicContact CE1-CE2 3.96Å; F12-Y88 AromaticContact CE1-CZ 3.63Å; F12-Y88 HydrophobicContact CZ-CE1 4.3Å; F12-Y88 HydrophobicContact CZ-CE2 4.45Å; F12-F90 HydrophobicContact CB-CZ 4.16Å; F12-I146 WeakPolarHBondContact CA-O 3.38Å; F12-I146 HydrophobicContact CD1-CB 3.92Å; F12-I146 HydrophobicContact CD1-CD1 3.93Å; F12-I146 HydrophobicContact CD1-CG1 4.48Å; F12-I146 HydrophobicContact CD1-CG2 4.22Å; F12-I146 HydrophobicContact CE1-CB 4.4Å; F12-I146 HydrophobicContact CE1-CD1 3.55Å; F12-I146 HydrophobicContact CZ-CD1 4.46Å; F12-M148 HydrophobicContact CD1-CE 4.27Å |
| 13 | S | 92.3 | Very high | 80.9 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 137 | 161.5 | -93.7 | 0 | 0 | 0 | 0 | 110.5 | W74 E145 I146 H147 M148 | S13-W74 CarbonylContact C-O 3.48Å; S13-W74 WeakPolarHBondContact CA-O 3.42Å; S13-E145 WeakPolarHBondContact CB-OE1 3.47Å; S13-E145 PolarHBondContact OG-OE1 3.05Å; S13-I146 PolarHBondContact N-O 2.8Å; S13-H147 CarbonylContact O-C 3.53Å; S13-H147 WeakPolarHBondContact O-CA 3.39Å; S13-M148 PolarHBondContact O-N 3.47Å |
| 14 | V | 94.9 | Very high | 83.3 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 129.2 | 175.8 | 65 | 0 | 0 | 0 | 0 | 110.7 | I16 V41 W74 F90 M148 F150 | V14-I16 HydrophobicContact CG1-CD1 4.3Å; V14-I16 HydrophobicContact CG2-CD1 4.1Å; V14-V41 HydrophobicContact CG1-CG1 3.83Å; V14-W74 HydrophobicContact CG1-CB 4Å; V14-W74 PolarHBondContact N-O 3.28Å; V14-W74 PolarHBondContact O-N 3.13Å; V14-F90 HydrophobicContact CB-CD1 4.08Å; V14-F90 HydrophobicContact CB-CE1 3.84Å; V14-F90 HydrophobicContact CB-CE2 4.43Å; V14-F90 HydrophobicContact CB-CG 4.47Å; V14-F90 HydrophobicContact CB-CZ 4.05Å; V14-F90 HydrophobicContact CG1-CD1 3.64Å; V14-F90 HydrophobicContact CG1-CE1 3.56Å; V14-F90 HydrophobicContact CG1-CG 4.39Å; V14-F90 HydrophobicContact CG1-CZ 4.27Å; V14-F90 HydrophobicContact CG2-CD1 4.32Å; V14-F90 HydrophobicContact CG2-CD2 4.38Å; V14-F90 HydrophobicContact CG2-CE1 4.49Å; V14-F90 HydrophobicContact CG2-CG 4.26Å; V14-M148 CarbonylContact C-O 3.55Å; V14-M148 VanDerWaalsContact CA-O 3.28Å; V14-M148 WeakPolarHBondContact CA-O 3.47Å; V14-M148 HydrophobicContact CB-CG 4.27Å; V14-M148 HydrophobicContact CG2-CG 4.13Å; V14-F150 HydrophobicContact CG2-CB 3.84Å |
| 15 | D | 94.5 | Very high | 85.4 | Confident | 33 Ų | 33 | 39.7 Ų | 39.7 | 18% | 0.176 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 126.5 | 171.8 | -71.4 | -8.5 | 0 | 0 | 0 | 109.8 | T71 E72 T73 H147 M148 F150 | D15-T71 HydrophobicContact CB-CG2 4.04Å; D15-E72 WeakPolarHBondContact CA-O 3.36Å; D15-T73 WeakPolarHBondContact OD1-CB 3.42Å; D15-T73 WeakPolarHBondContact OD1-CG2 3.5Å; D15-T73 PolarHBondContact OD1-OG1 3.18Å; D15-H147 VanDerWaalsContact CG-CE1 3.49Å; D15-H147 IonicContact OD1-CE1 3.23Å; D15-H147 IonicContact OD1-NE2 3.79Å; D15-H147 PolarHBondContact OD1-NE2 2.98Å; D15-H147 IonicContact OD2-CE1 2.78Å; D15-H147 PolarHBondContact OD2-CE1 2.97Å; D15-H147 IonicContact OD2-NE2 3.75Å; D15-H147 PolarHBondContact OD2-NE2 3.42Å; D15-M148 PolarHBondContact N-O 3.3Å; D15-F150 WeakPolarHBondContact O-CB 3.08Å; D15-F150 PolarHBondContact O-N 3.43Å |
| 16 | I | 93.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 112.8 | 172.5 | -48.7 | -54.9 | 0 | 0 | 0 | 108.5 | V14 F18 L21 V41 T71 E72 F150 | V14-I16 HydrophobicContact CG1-CD1 4.3Å; V14-I16 HydrophobicContact CG2-CD1 4.1Å; I16-F18 HydrophobicContact CB-CE2 4.17Å; I16-F18 HydrophobicContact CB-CZ 4.37Å; I16-F18 HydrophobicContact CG2-CD1 4.37Å; I16-F18 HydrophobicContact CG2-CD2 4.32Å; I16-F18 HydrophobicContact CG2-CE1 4.16Å; I16-F18 HydrophobicContact CG2-CE2 4.07Å; I16-F18 HydrophobicContact CG2-CG 4.46Å; I16-F18 HydrophobicContact CG2-CZ 4.01Å; I16-F18 PolarHBondContact O-N 3.03Å; I16-L21 HydrophobicContact CG2-CD1 4.02Å; I16-V41 HydrophobicContact CD1-CG1 4.44Å; I16-V41 HydrophobicContact CD1-CG2 4.05Å; I16-V41 HydrophobicContact CG1-CG2 3.75Å; I16-T71 VanDerWaalsContact O-CA 3.29Å; I16-T71 WeakPolarHBondContact O-CA 3.44Å; I16-E72 PolarHBondContact N-O 3.02Å; I16-E72 PolarHBondContact O-N 3Å; I16-F150 HydrophobicContact CD1-CB 3.36Å; I16-F150 HydrophobicContact CD1-CD1 4.32Å; I16-F150 HydrophobicContact CD1-CD2 3.9Å; I16-F150 HydrophobicContact CD1-CG 3.62Å |
| 17 | N | 91.8 | Very high | 88.8 | Confident | 48 Ų | 48 | 31.5 Ų | 31.5 | 26% | 0.257 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 101.5 | 168.3 | 179.3 | -9.6 | 0 | 0 | 0 | 109.3 | K19 S20 | N17-K19 PolarHBondContact O-N 3.03Å; N17-K19 WeakPolarHBondContact OD1-CB 3.31Å; N17-K19 PolarHBondContact OD1-N 2.93Å; N17-S20 PolarHBondContact O-N 3.11Å; N17-S20 PolarHBondContact O-OG 3.37Å; N17-S20 PolarHBondContact OD1-N 3.34Å |
| 18 | F | 90.5 | Very high | 89.4 | Confident | 28 Ų | 28 | 28.5 Ų | 28.5 | 12% | 0.123 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -23.8 | -177.7 | -71.7 | -84.8 | 0 | 0 | 0 | 113.3 | I16 L21 V28 I39 N70 E72 L92 | I16-F18 HydrophobicContact CB-CE2 4.17Å; I16-F18 HydrophobicContact CB-CZ 4.37Å; I16-F18 HydrophobicContact CG2-CD1 4.37Å; I16-F18 HydrophobicContact CG2-CD2 4.32Å; I16-F18 HydrophobicContact CG2-CE1 4.16Å; I16-F18 HydrophobicContact CG2-CE2 4.07Å; I16-F18 HydrophobicContact CG2-CG 4.46Å; I16-F18 HydrophobicContact CG2-CZ 4.01Å; I16-F18 PolarHBondContact O-N 3.03Å; F18-L21 HydrophobicContact CD1-CD1 4.04Å; F18-L21 PolarHBondContact O-N 3.06Å; F18-V28 HydrophobicContact CD1-CB 3.81Å; F18-V28 HydrophobicContact CD1-CG1 4.25Å; F18-V28 HydrophobicContact CD1-CG2 3.72Å; F18-V28 HydrophobicContact CE1-CB 4.09Å; F18-V28 HydrophobicContact CE1-CG1 4.06Å; F18-V28 HydrophobicContact CE1-CG2 3.89Å; F18-I39 HydrophobicContact CE1-CG2 4.45Å; F18-N70 WeakPolarHBondContact CD2-O 3.47Å; F18-N70 PolarHBondContact N-O 3.35Å; F18-E72 HydrophobicContact CD2-CG 4.25Å; F18-E72 HydrophobicContact CE2-CB 3.87Å; F18-E72 HydrophobicContact CE2-CG 3.58Å; F18-L92 HydrophobicContact CE1-CD1 4.35Å; F18-L92 HydrophobicContact CE1-CD2 4.14Å |
| 19 | K | 89.6 | Confident | 89 | Confident | 103 Ų | 103 | 30.9 Ų | 30.9 | 45% | 0.448 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -35.3 | 176.3 | -175.4 | 55.8 | 173.5 | 174.4 | 0 | 111.8 | N17 L21 E22 N70 | N17-K19 PolarHBondContact O-N 3.03Å; N17-K19 WeakPolarHBondContact OD1-CB 3.31Å; N17-K19 PolarHBondContact OD1-N 2.93Å; K19-L21 VanDerWaalsContact C-N 3.26Å; K19-L21 PolarHBondContact O-N 3.28Å; K19-E22 HydrophobicContact CD-CG 4.32Å; K19-E22 VanDerWaalsContact CD-OE1 3.24Å; K19-E22 WeakPolarHBondContact CD-OE1 3.19Å; K19-E22 IonicContact NZ-OE1 2.71Å; K19-E22 PolarHBondContact NZ-OE1 3.2Å; K19-E22 IonicContact NZ-OE2 3.49Å; K19-E22 PolarHBondContact NZ-OE2 2.75Å; K19-E22 WeakPolarHBondContact O-CB 3.41Å; K19-E22 WeakPolarHBondContact O-CG 3.37Å; K19-E22 PolarHBondContact O-N 3.18Å; K19-N70 HydrophobicContact CB-CB 4.04Å |
| 20 | S | 90.4 | Very high | 87.5 | Confident | 32 Ų | 32 | 34.3 Ų | 34.3 | 22% | 0.224 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -72.1 | -20.7 | 177.6 | 71.1 | 0 | 0 | 0 | 0 | 112.9 | N17 E22 D23 | N17-S20 PolarHBondContact O-N 3.11Å; N17-S20 PolarHBondContact O-OG 3.37Å; N17-S20 PolarHBondContact OD1-N 3.34Å; S20-E22 PolarHBondContact O-N 3.22Å; S20-D23 WeakPolarHBondContact O-CB 3.42Å; S20-D23 PolarHBondContact O-N 3Å |
| 21 | L | 92.8 | Very high | 85.5 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -70 | -18 | 174.7 | -59.6 | -179.1 | 0 | 0 | 0 | 113.2 | I16 F18 K19 D23 V24 I26 L92 A112 F150 V159 | I16-L21 HydrophobicContact CG2-CD1 4.02Å; F18-L21 HydrophobicContact CD1-CD1 4.04Å; F18-L21 PolarHBondContact O-N 3.06Å; K19-L21 VanDerWaalsContact C-N 3.26Å; K19-L21 PolarHBondContact O-N 3.28Å; L21-D23 PolarHBondContact O-N 3.29Å; L21-V24 WeakPolarHBondContact O-CG2 3.39Å; L21-V24 PolarHBondContact O-N 3.38Å; L21-I26 CarbonylContact C-O 3.54Å; L21-I26 HydrophobicContact CB-CB 4.13Å; L21-I26 HydrophobicContact CB-CG2 4.22Å; L21-I26 HydrophobicContact CD1-CG2 4.42Å; L21-I26 PolarHBondContact O-N 3.29Å; L21-L92 HydrophobicContact CD1-CD2 3.41Å; L21-L92 VanDerWaalsContact CD1-CD2 3.41Å; L21-A112 HydrophobicContact CD2-CB 4.09Å; L21-F150 HydrophobicContact CD2-CD1 4.18Å; L21-F150 HydrophobicContact CD2-CE1 3.9Å; L21-V159 HydrophobicContact CD2-CG1 4.15Å |
| 22 | E | 91.6 | Very high | 83.5 | Confident | 55 Ų | 55 | 39.4 Ų | 39.4 | 26% | 0.257 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -63.3 | -28.1 | 174.1 | -58.9 | -172.7 | -170 | 0 | 0 | 111.7 | K19 S20 V24 G25 Y27 | K19-E22 HydrophobicContact CD-CG 4.32Å; K19-E22 VanDerWaalsContact CD-OE1 3.24Å; K19-E22 WeakPolarHBondContact CD-OE1 3.19Å; K19-E22 IonicContact NZ-OE1 2.71Å; K19-E22 PolarHBondContact NZ-OE1 3.2Å; K19-E22 IonicContact NZ-OE2 3.49Å; K19-E22 PolarHBondContact NZ-OE2 2.75Å; K19-E22 WeakPolarHBondContact O-CB 3.41Å; K19-E22 WeakPolarHBondContact O-CG 3.37Å; K19-E22 PolarHBondContact O-N 3.18Å; S20-E22 PolarHBondContact O-N 3.22Å; E22-V24 PolarHBondContact O-N 2.87Å; E22-V24 VanDerWaalsContact O-N 3.17Å; E22-G25 PolarHBondContact O-N 3Å; E22-Y27 HydrophobicContact CB-CE1 3.84Å; E22-Y27 HydrophobicContact CG-CD1 3.76Å; E22-Y27 HydrophobicContact CG-CE1 3.37Å |
| 23 | D | 89 | Confident | 81.4 | Confident | 75 Ų | 75 | 43.3 Ų | 43.3 | 40% | 0.401 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -62 | -24 | 176.8 | -77 | -25.9 | 0 | 0 | 0 | 113.2 | S20 L21 R275 | S20-D23 WeakPolarHBondContact O-CB 3.42Å; S20-D23 PolarHBondContact O-N 3Å; L21-D23 PolarHBondContact O-N 3.29Å; D23-R275 IonicContact OD1-NH1 2.84Å |
| 24 | V | 91.9 | Very high | 79.3 | Confident | 15 Ų | 15 | 47.4 Ų | 47.4 | 9% | 0.091 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -105.6 | 15.6 | 175.8 | -62.3 | 0 | 0 | 0 | 0 | 112.2 | L21 E22 I26 V159 Q631 | L21-V24 WeakPolarHBondContact O-CG2 3.39Å; L21-V24 PolarHBondContact O-N 3.38Å; E22-V24 PolarHBondContact O-N 2.87Å; E22-V24 VanDerWaalsContact O-N 3.17Å; V24-I26 VanDerWaalsContact C-N 3.35Å; V24-I26 HydrophobicContact CG2-CB 4.38Å; V24-I26 HydrophobicContact CG2-CG1 4.1Å; V24-V159 HydrophobicContact CG1-CB 4.5Å; V24-V159 HydrophobicContact CG1-CG1 4.28Å; V24-V159 WeakPolarHBondContact CG1-O 3.2Å; V24-V159 HydrophobicContact CG2-CG1 4.04Å; V24-Q631 PolarHBondContact O-NE2 2.69Å |
| 25 | G | 91.8 | Very high | 77.4 | Confident | 9 Ų | 9 | 52.1 Ų | 52.1 | 9% | 0.093 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 19.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | E22 | E22-G25 PolarHBondContact O-N 3Š|
| 26 | I | 91.4 | Very high | 75.7 | Confident | 14 Ų | 14 | 57.7 Ų | 57.7 | 7% | 0.072 | 31% | 0.308 | C | S | . | . | trans | -101.8 | 122.3 | -179.7 | -65.8 | -59 | 0 | 0 | 0 | 110.7 | L21 V24 V28 L111 A112 R161 | L21-I26 CarbonylContact C-O 3.54Å; L21-I26 HydrophobicContact CB-CB 4.13Å; L21-I26 HydrophobicContact CB-CG2 4.22Å; L21-I26 HydrophobicContact CD1-CG2 4.42Å; L21-I26 PolarHBondContact O-N 3.29Å; V24-I26 VanDerWaalsContact C-N 3.35Å; V24-I26 HydrophobicContact CG2-CB 4.38Å; V24-I26 HydrophobicContact CG2-CG1 4.1Å; I26-V28 HydrophobicContact CG2-CG2 4.15Å; I26-L111 HydrophobicContact CD1-CB 4.37Å; I26-L111 VanDerWaalsContact CD1-O 3.23Å; I26-L111 WeakPolarHBondContact CD1-O 3.31Å; I26-L111 VanDerWaalsContact CG1-O 3.3Å; I26-L111 WeakPolarHBondContact CG1-O 3.23Å; I26-L111 HydrophobicContact CG2-CB 4.16Å; I26-A112 HydrophobicContact CG1-CB 4.5Å; I26-R161 HydrophobicContact CD1-CG 3.83Å; I26-R161 HydrophobicContact CG1-CG 4.2Å | ||
| 27 | Y | 86.5 | Confident | 74.7 | Confident | 47 Ų | 47 | 61.8 Ų | 61.8 | 18% | 0.184 | 32% | 0.323 | C | S | . | . | trans | -123.9 | 113.3 | 179.1 | -65.2 | -83.7 | 0 | 0 | 0 | 110 | E22 H277 R278 | E22-Y27 HydrophobicContact CB-CE1 3.84Å; E22-Y27 HydrophobicContact CG-CD1 3.76Å; E22-Y27 HydrophobicContact CG-CE1 3.37Å; Y27-H277 VanDerWaalsContact OH-CA 3.24Å; Y27-H277 WeakPolarHBondContact OH-CA 3.35Å; Y27-R278 HydrophobicContact CD1-CG 3.77Å; Y27-R278 HydrophobicContact CD2-CG 4.28Å; Y27-R278 HydrophobicContact CE1-CB 4.35Å; Y27-R278 HydrophobicContact CE1-CG 3.63Å; Y27-R278 HydrophobicContact CE2-CG 4.19Å; Y27-R278 HydrophobicContact CG-CG 4.09Å; Y27-R278 VanDerWaalsContact CG-NE 3.33Å; Y27-R278 PolarHBondContact OH-N 3.4Å | ||
| 28 | V | 79.8 | Confident | 74.3 | Confident | 39 Ų | 39 | 66 Ų | 66 | 24% | 0.236 | 34% | 0.339 | C | S | . | . | trans | -96.4 | 111.6 | -178.9 | -179.7 | 0 | 0 | 0 | 0 | 109.3 | F18 I26 I39 L92 L111 | F18-V28 HydrophobicContact CD1-CB 3.81Å; F18-V28 HydrophobicContact CD1-CG1 4.25Å; F18-V28 HydrophobicContact CD1-CG2 3.72Å; F18-V28 HydrophobicContact CE1-CB 4.09Å; F18-V28 HydrophobicContact CE1-CG1 4.06Å; F18-V28 HydrophobicContact CE1-CG2 3.89Å; I26-V28 HydrophobicContact CG2-CG2 4.15Å; V28-I39 HydrophobicContact CG1-CD1 3.75Å; V28-I39 HydrophobicContact CG1-CG1 3.66Å; V28-L92 HydrophobicContact CG2-CD2 4.2Å; V28-L111 HydrophobicContact CG2-CD1 4.25Å | ||
| 29 | E | 67.1 | Low | 74.3 | Confident | 76 Ų | 76 | 66.6 Ų | 66.6 | 36% | 0.355 | 34% | 0.343 | S | S | . | . | trans | -96.3 | 117.2 | 173.4 | -66.9 | -168.8 | 164.5 | 0 | 0 | 111.2 | S31 R278 | E29-S31 PolarHBondContact O-N 3.41Å; E29-R278 VanDerWaalsContact CD-NH2 3.32Å; E29-R278 IonicContact OE1-CZ 2.7Å; E29-R278 VanDerWaalsContact OE1-CZ 3.26Å; E29-R278 IonicContact OE1-NH1 2.75Å; E29-R278 PolarHBondContact OE1-NH1 3.3Å; E29-R278 IonicContact OE1-NH2 3.07Å; E29-R278 PolarHBondContact OE1-NH2 2.91Å | ||
| 30 | T | 51.3 | Low | 74.5 | Confident | 116 Ų | 116 | 61.9 Ų | 61.9 | 71% | 0.712 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -80.7 | 61.8 | 171.7 | 56.8 | 0 | 0 | 0 | 0 | 110.5 | ||
| 31 | S | 45.7 | Very low | 74.7 | Confident | 102 Ų | 102 | 60.3 Ų | 60.3 | 71% | 0.713 | 31% | 0.313 | S | S | * | . | trans | 169.4 | 93.2 | 156.7 | 47.9 | 0 | 0 | 0 | 0 | 112.3 | E29 | E29-S31 PolarHBondContact O-N 3.41Š| ||
| 32 | I | 46.2 | Very low | 74.9 | Confident | 33 Ų | 33 | 60.3 Ų | 60.3 | 17% | 0.169 | 31% | 0.312 | C | S | . | . | trans | -123.9 | 111.5 | 162.1 | -59.6 | 178.1 | 0 | 0 | 0 | 107.5 | E34 Y262 | I32-E34 HydrophobicContact CG2-CB 4.13Å; I32-E34 PolarHBondContact O-N 3.31Å; I32-Y262 HydrophobicContact CD1-CD1 4.48Å; I32-Y262 HydrophobicContact CD1-CE1 4.08Å; I32-Y262 HydrophobicContact CG1-CE1 4.12Å; I32-Y262 HydrophobicContact CG2-CE1 4.14Å | ||
| 33 | A | 46 | Very low | 75.2 | Confident | 82 Ų | 82 | 57.7 Ų | 57.7 | 68% | 0.678 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -8.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 34 | E | 49.1 | Very low | 75.6 | Confident | 87 Ų | 87 | 54.1 Ų | 54.1 | 41% | 0.407 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -19.5 | -172.6 | -72.5 | -179.3 | 169.6 | 0 | 0 | 114.1 | I32 Y262 | I32-E34 HydrophobicContact CG2-CB 4.13Å; I32-E34 PolarHBondContact O-N 3.31Å; E34-Y262 PolarHBondContact OE2-OH 2.9Å |
| 35 | Y | 54.1 | Low | 75.8 | Confident | 99 Ų | 99 | 53.4 Ų | 53.4 | 39% | 0.388 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -143.8 | 146.9 | 178.9 | -64.1 | -85.6 | 0 | 0 | 0 | 109.6 | R37 | Y35-R37 PolarHBondContact O-N 3.32Š|
| 36 | K | 58.8 | Low | 76 | Confident | 151 Ų | 151 | 55.2 Ų | 55.2 | 66% | 0.657 | 29% | 0.288 | S | S | * | . | trans | -70.8 | 83.5 | 162.2 | -81.1 | -173.1 | 178.8 | 179.1 | 0 | 108.2 | E97 | K36-E97 HydrophobicContact CB-CB 4.42Š| ||
| 37 | R | 73.4 | Confident | 76.2 | Confident | 86 Ų | 86 | 56 Ų | 56 | 33% | 0.325 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 122.6 | 172.9 | -68 | 158.9 | 175.8 | -125.9 | 12.1 | 107.3 | Y35 E94 | Y35-R37 PolarHBondContact O-N 3.32Å; R37-E94 HydrophobicContact CB-CG 4.19Å; R37-E94 WeakPolarHBondContact CB-OE1 3.4Å; R37-E94 WeakPolarHBondContact CD-OE1 3.48Å; R37-E94 HydrophobicContact CG-CG 4.33Å; R37-E94 WeakPolarHBondContact CG-OE1 3.41Å; R37-E94 IonicContact CZ-OE1 2.89Å; R37-E94 IonicContact NE-OE1 2.71Å; R37-E94 IonicContact NH1-OE1 3.41Å; R37-E94 PolarHBondContact NH1-OE1 3.08Å |
| 38 | K | 84 | Confident | 76.5 | Confident | 135 Ų | 135 | 59.2 Ų | 59.2 | 59% | 0.587 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 115.7 | 174.6 | -173.3 | -177 | 176.7 | -173.2 | 0 | 108.3 | V40 L95 | K38-V40 HydrophobicContact CD-CG1 4.07Å; K38-V40 HydrophobicContact CG-CG1 3.98Å; K38-L95 HydrophobicContact CB-CB 4.34Å; K38-L95 PolarHBondContact N-O 2.99Å; K38-L95 PolarHBondContact O-N 3.38Å |
| 39 | I | 89.6 | Confident | 77.1 | Confident | 41 Ų | 41 | 60.3 Ų | 60.3 | 21% | 0.21 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 131.8 | 167.9 | -58.4 | -62.3 | 0 | 0 | 0 | 107.9 | F18 V28 W74 L92 A93 E94 L111 | F18-I39 HydrophobicContact CE1-CG2 4.45Å; V28-I39 HydrophobicContact CG1-CD1 3.75Å; V28-I39 HydrophobicContact CG1-CG1 3.66Å; I39-W74 WeakPolarHBondContact O-CH2 3.42Å; I39-L92 HydrophobicContact CG2-CD1 3.62Å; I39-L92 HydrophobicContact CG2-CG 4.44Å; I39-A93 WeakPolarHBondContact CA-O 3.21Å; I39-E94 HydrophobicContact CD1-CB 4.36Å; I39-E94 HydrophobicContact CD1-CG 4.42Å; I39-L111 HydrophobicContact CD1-CD1 3.79Å |
| 40 | V | 93 | Very high | 78.5 | Confident | 4 Ų | 4 | 56.7 Ų | 56.7 | 2% | 0.024 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 147.6 | 178.9 | -64.7 | 0 | 0 | 0 | 0 | 110.4 | K38 F60 A93 L95 L108 | K38-V40 HydrophobicContact CD-CG1 4.07Å; K38-V40 HydrophobicContact CG-CG1 3.98Å; V40-F60 HydrophobicContact CB-CD1 3.88Å; V40-F60 HydrophobicContact CB-CE1 4.29Å; V40-F60 HydrophobicContact CG2-CD1 3.7Å; V40-F60 HydrophobicContact CG2-CE1 3.57Å; V40-A93 HydrophobicContact CG2-CB 4.06Å; V40-A93 PolarHBondContact N-O 2.97Å; V40-A93 PolarHBondContact O-N 3.35Å; V40-L95 HydrophobicContact CB-CD1 4.41Å; V40-L95 HydrophobicContact CG1-CD1 3.56Å; V40-L95 HydrophobicContact CG1-CG 4.14Å; V40-L95 HydrophobicContact CG2-CD1 4.01Å; V40-L95 HydrophobicContact CG2-CG 3.82Å; V40-L108 HydrophobicContact CG2-CD1 4.43Å |
| 41 | V | 95.8 | Very high | 80.6 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 128.7 | 167.4 | 177.2 | 0 | 0 | 0 | 0 | 107.8 | V14 I16 F60 C61 W74 F90 F91 L92 | V14-V41 HydrophobicContact CG1-CG1 3.83Å; I16-V41 HydrophobicContact CD1-CG1 4.44Å; I16-V41 HydrophobicContact CD1-CG2 4.05Å; I16-V41 HydrophobicContact CG1-CG2 3.75Å; V41-F60 WeakPolarHBondContact O-CA 3.41Å; V41-C61 HydrophobicContact CB-CB 4.24Å; V41-C61 HydrophobicContact CG1-CB 4.47Å; V41-C61 PolarHBondContact O-N 3.28Å; V41-W74 HydrophobicContact CB-CB 4.13Å; V41-W74 HydrophobicContact CB-CD2 3.93Å; V41-W74 HydrophobicContact CB-CE3 4.04Å; V41-W74 HydrophobicContact CB-CG 3.98Å; V41-W74 HydrophobicContact CG1-CB 4.43Å; V41-W74 HydrophobicContact CG2-CB 4.16Å; V41-W74 HydrophobicContact CG2-CD2 3.51Å; V41-W74 HydrophobicContact CG2-CE3 4.02Å; V41-W74 HydrophobicContact CG2-CG 3.56Å; V41-W74 HydrophobicContact CG2-CZ2 4.42Å; V41-F90 HydrophobicContact CG1-CD1 3.99Å; V41-F91 CarbonylContact C-O 3.13Å; V41-F91 WeakPolarHBondContact CA-O 3.5Å; V41-L92 HydrophobicContact CG2-CD1 3.84Å |
| 42 | G | 96.7 | Very high | 83.1 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 151.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L59 F90 F91 | G42-L59 CarbonylContact C-O 3.38Å; G42-L59 WeakPolarHBondContact CA-O 3Å; G42-F90 CarbonylContact O-C 3.58Å; G42-F90 WeakPolarHBondContact O-CA 3.26Å; G42-F91 PolarHBondContact N-O 3.45Å; G42-F91 WeakPolarHBondContact O-CD1 3.5Å; G42-F91 PolarHBondContact O-N 3.36Å |
| 43 | V | 97.3 | Very high | 85.5 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 121.5 | 173.6 | -167.6 | 0 | 0 | 0 | 0 | 108.8 | L50 A58 L59 Y88 R89 F90 | V43-L50 HydrophobicContact CB-CD2 4.34Å; V43-L50 HydrophobicContact CG1-CD2 4.11Å; V43-A58 WeakPolarHBondContact O-CB 3.46Å; V43-L59 PolarHBondContact N-O 3.36Å; V43-L59 PolarHBondContact O-N 3.38Å; V43-Y88 HydrophobicContact CG1-CD2 4.01Å; V43-Y88 HydrophobicContact CG1-CG 4.41Å; V43-R89 WeakPolarHBondContact CA-O 3.42Å; V43-F90 HydrophobicContact CB-CE1 4.43Å; V43-F90 HydrophobicContact CG2-CD1 3.53Å; V43-F90 HydrophobicContact CG2-CE1 3.21Å; V43-F90 HydrophobicContact CG2-CZ 3.97Å |
| 44 | T | 97.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 154.6 | 172.8 | -166.4 | 0 | 0 | 0 | 0 | 111.1 | L50 W53 N54 Y88 R89 F91 L384 | T44-L50 WeakPolarHBondContact CA-O 3.36Å; T44-L50 WeakPolarHBondContact CB-O 3.21Å; T44-L50 PolarHBondContact OG1-O 3.37Å; T44-W53 HydrophobicContact CG2-CE3 4.33Å; T44-W53 WeakPolarHBondContact OG1-CA 3.48Å; T44-W53 PolarHBondContact OG1-N 3.29Å; T44-N54 PolarHBondContact OG1-N 3.06Å; T44-Y88 CarbonylContact O-C 3.41Å; T44-Y88 WeakPolarHBondContact O-CA 3.45Å; T44-R89 PolarHBondContact N-O 3.1Å; T44-R89 PolarHBondContact O-N 3.39Å; T44-F91 HydrophobicContact CG2-CD1 4.4Å; T44-F91 HydrophobicContact CG2-CE1 4.37Å; T44-L384 HydrophobicContact CG2-CB 3.86Å; T44-L384 HydrophobicContact CG2-CD1 3.79Å; T44-L384 HydrophobicContact CG2-CG 4.21Å |
| 45 | G | 97.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175 | -168.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115 | L47 L50 L52 W53 Q87 | G45-L47 PolarHBondContact O-N 3.06Å; G45-L50 PolarHBondContact N-O 3.01Å; G45-L50 VanDerWaalsContact N-O 3.15Å; G45-L52 CarbonylContact O-C 3.54Å; G45-L52 WeakPolarHBondContact O-CA 3.49Å; G45-L52 PolarHBondContact O-N 3.16Å; G45-W53 PolarHBondContact O-N 3.41Å; G45-Q87 CarbonylContact C-O 3.52Å; G45-Q87 WeakPolarHBondContact CA-O 3.45Å |
| 46 | S | 96.2 | Very high | 92 | Very high | 47 Ų | 47 | 44.5 Ų | 44.5 | 33% | 0.329 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -77.7 | -0.4 | -174.8 | 63.8 | 0 | 0 | 0 | 0 | 115.2 | F86 Q87 | S46-F86 WeakPolarHBondContact OG-CB 3.48Å; S46-Q87 PolarHBondContact N-O 3.36Å; S46-Q87 PolarHBondContact OG-N 3.07Å |
| 47 | L | 94.8 | Very high | 93.7 | Very high | 32 Ų | 32 | 43.9 Ų | 43.9 | 17% | 0.168 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -100.2 | 151.1 | 177.6 | -63 | 178.2 | 0 | 0 | 0 | 110.9 | G45 V49 L50 G51 L52 L78 L80 F86 | G45-L47 PolarHBondContact O-N 3.06Å; L47-V49 VanDerWaalsContact C-N 3.3Å; L47-V49 HydrophobicContact CB-CG1 3.91Å; L47-V49 HydrophobicContact CD1-CG1 4.27Å; L47-V49 PolarHBondContact O-N 3.35Å; L47-L50 HydrophobicContact CB-CB 4.36Å; L47-L50 HydrophobicContact CB-CD1 4.33Å; L47-L50 HydrophobicContact CB-CG 4.21Å; L47-L50 HydrophobicContact CD1-CD1 4.36Å; L47-L50 CarbonylContact O-C 3.6Å; L47-L50 WeakPolarHBondContact O-CA 3.31Å; L47-L50 PolarHBondContact O-N 2.66Å; L47-G51 PolarHBondContact O-N 3.09Å; L47-L52 PolarHBondContact O-N 3.06Å; L47-L78 HydrophobicContact CD1-CD2 4.05Å; L47-L80 HydrophobicContact CD1-CD2 4.15Å; L47-F86 HydrophobicContact CD1-CB 3.98Å; L47-F86 HydrophobicContact CD1-CD1 3.7Å; L47-F86 HydrophobicContact CD1-CD2 3.97Å; L47-F86 HydrophobicContact CD1-CE1 4.08Å; L47-F86 HydrophobicContact CD1-CE2 4.36Å; L47-F86 HydrophobicContact CD1-CG 3.62Å; L47-F86 HydrophobicContact CD1-CZ 4.41Å; L47-F86 HydrophobicContact CD2-CB 3.96Å; L47-F86 HydrophobicContact CD2-CG 4.49Å; L47-F86 HydrophobicContact CG-CB 3.72Å; L47-F86 HydrophobicContact CG-CD1 4.39Å; L47-F86 HydrophobicContact CG-CD2 4.35Å; L47-F86 HydrophobicContact CG-CG 3.94Å |
| 48 | D | 93.7 | Very high | 94.7 | Very high | 113 Ų | 113 | 40.4 Ų | 40.4 | 60% | 0.604 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -57.8 | -42.5 | 175.8 | -68.3 | -18 | 0 | 0 | 0 | 112.2 | L50 G51 L52 | D48-L50 PolarHBondContact O-N 3.24Å; D48-G51 PolarHBondContact O-N 2.77Å; D48-L52 WeakPolarHBondContact OD1-CD1 3.44Å; D48-L52 WeakPolarHBondContact OD1-CD2 3.02Å; D48-L52 WeakPolarHBondContact OD1-CG 3.49Å |
| 49 | V | 92.6 | Very high | 95.3 | Very high | 62 Ų | 62 | 36 Ų | 36 | 38% | 0.376 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -65.9 | -17.9 | 176.4 | 57.5 | 0 | 0 | 0 | 0 | 113.1 | L47 L78 | L47-V49 VanDerWaalsContact C-N 3.3Å; L47-V49 HydrophobicContact CB-CG1 3.91Å; L47-V49 HydrophobicContact CD1-CG1 4.27Å; L47-V49 PolarHBondContact O-N 3.35Å; V49-L78 HydrophobicContact CB-CD1 4.21Å; V49-L78 HydrophobicContact CG1-CD1 3.4Å; V49-L78 VanDerWaalsContact CG1-CD1 3.4Å; V49-L78 HydrophobicContact CG1-CG 4.47Å; V49-L78 HydrophobicContact CG2-CD1 3.77Å |
| 50 | L | 95.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -100.8 | 13.8 | 172.6 | -59.8 | 179.5 | 0 | 0 | 0 | 111.9 | V43 T44 G45 L47 D48 L52 L59 L78 F86 | V43-L50 HydrophobicContact CB-CD2 4.34Å; V43-L50 HydrophobicContact CG1-CD2 4.11Å; T44-L50 WeakPolarHBondContact CA-O 3.36Å; T44-L50 WeakPolarHBondContact CB-O 3.21Å; T44-L50 PolarHBondContact OG1-O 3.37Å; G45-L50 PolarHBondContact N-O 3.01Å; G45-L50 VanDerWaalsContact N-O 3.15Å; L47-L50 HydrophobicContact CB-CB 4.36Å; L47-L50 HydrophobicContact CB-CD1 4.33Å; L47-L50 HydrophobicContact CB-CG 4.21Å; L47-L50 HydrophobicContact CD1-CD1 4.36Å; L47-L50 CarbonylContact O-C 3.6Å; L47-L50 WeakPolarHBondContact O-CA 3.31Å; L47-L50 PolarHBondContact O-N 2.66Å; D48-L50 PolarHBondContact O-N 3.24Å; L50-L52 PolarHBondContact O-N 3Å; L50-L59 HydrophobicContact CD2-CB 4.01Å; L50-L59 HydrophobicContact CD2-CD2 4.2Å; L50-L78 HydrophobicContact CD1-CD2 4.32Å; L50-L78 HydrophobicContact CD2-CD1 3.69Å; L50-L78 HydrophobicContact CD2-CD2 4.45Å; L50-L78 HydrophobicContact CG-CD1 4.06Å; L50-F86 HydrophobicContact CD1-CD2 4.05Å; L50-F86 HydrophobicContact CD1-CE2 4.07Å |
| 51 | G | 95.7 | Very high | 95.6 | Very high | 6 Ų | 6 | 38 Ų | 38 | 6% | 0.062 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | 76.8 | 12.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | L47 D48 W53 N54 K57 | L47-G51 PolarHBondContact O-N 3.09Å; D48-G51 PolarHBondContact O-N 2.77Å; G51-W53 VanDerWaalsContact C-N 3.3Å; G51-W53 PolarHBondContact O-N 2.87Å; G51-N54 WeakPolarHBondContact O-CB 3.35Å; G51-N54 PolarHBondContact O-N 3Å; G51-K57 WeakPolarHBondContact CA-O 3.28Å; G51-K57 PolarHBondContact N-O 2.64Å |
| 52 | L | 97.2 | Very high | 95.5 | Very high | 97 Ų | 97 | 45.1 Ų | 45.1 | 51% | 0.508 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | 50.2 | 47.2 | -179.8 | -62.8 | 178 | 0 | 0 | 0 | 113.4 | G45 L47 D48 L50 N54 | G45-L52 CarbonylContact O-C 3.54Å; G45-L52 WeakPolarHBondContact O-CA 3.49Å; G45-L52 PolarHBondContact O-N 3.16Å; L47-L52 PolarHBondContact O-N 3.06Å; D48-L52 WeakPolarHBondContact OD1-CD1 3.44Å; D48-L52 WeakPolarHBondContact OD1-CD2 3.02Å; D48-L52 WeakPolarHBondContact OD1-CG 3.49Å; L50-L52 PolarHBondContact O-N 3Å; L52-N54 PolarHBondContact O-N 3.24Å |
| 53 | W | 97.6 | Very high | 95.1 | Very high | 14 Ų | 14 | 50.3 Ų | 50.3 | 5% | 0.053 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | 71.1 | -0.9 | -177.4 | -53.3 | 97.7 | 0 | 0 | 0 | 116.5 | T44 G45 G51 P55 Q87 R89 P119 S383 L384 K385 | T44-W53 HydrophobicContact CG2-CE3 4.33Å; T44-W53 WeakPolarHBondContact OG1-CA 3.48Å; T44-W53 PolarHBondContact OG1-N 3.29Å; G45-W53 PolarHBondContact O-N 3.41Å; G51-W53 VanDerWaalsContact C-N 3.3Å; G51-W53 PolarHBondContact O-N 2.87Å; W53-P55 WeakPolarHBondContact O-CD 3.19Å; W53-Q87 HydrophobicContact CH2-CB 3.83Å; W53-Q87 HydrophobicContact CZ2-CB 3.71Å; W53-R89 HydrophobicContact CZ3-CB 4.42Å; W53-R89 HydrophobicContact CZ3-CG 3.94Å; W53-P119 HydrophobicContact CH2-CB 3.59Å; W53-P119 HydrophobicContact CH2-CG 3.54Å; W53-P119 HydrophobicContact CZ2-CG 4.25Å; W53-P119 HydrophobicContact CZ3-CB 4.19Å; W53-P119 HydrophobicContact CZ3-CG 4.19Å; W53-S383 WeakPolarHBondContact CB-OG 3.46Å; W53-S383 WeakPolarHBondContact O-CA 3.34Å; W53-L384 PolarHBondContact O-N 3.36Å; W53-K385 HydrophobicContact CB-CB 3.85Å; W53-K385 HydrophobicContact CD2-CB 3.74Å; W53-K385 HydrophobicContact CD2-CG 3.93Å; W53-K385 HydrophobicContact CE3-CB 4.27Å; W53-K385 HydrophobicContact CG-CB 3.53Å; W53-K385 HydrophobicContact CG-CD 4.33Å; W53-K385 HydrophobicContact CG-CG 3.88Å; W53-K385 HydrophobicContact CZ2-CG 4.48Å |
| 54 | N | 96.2 | Very high | 94.4 | Very high | 15 Ų | 15 | 55.3 Ų | 55.3 | 8% | 0.08 | 27% | 0.273 | C | S | . | . | trans | -82.7 | 116.9 | 172.9 | -176.7 | -33.9 | 0 | 0 | 0 | 109.4 | T44 G51 L52 E56 K57 A58 | T44-N54 PolarHBondContact OG1-N 3.06Å; G51-N54 WeakPolarHBondContact O-CB 3.35Å; G51-N54 PolarHBondContact O-N 3Å; L52-N54 PolarHBondContact O-N 3.24Å; N54-E56 VanDerWaalsContact C-N 3.26Å; N54-E56 PolarHBondContact O-N 3.31Å; N54-E56 VanDerWaalsContact OD1-CB 3.29Å; N54-E56 WeakPolarHBondContact OD1-CB 3.42Å; N54-E56 PolarHBondContact OD1-N 3.29Å; N54-K57 HydrophobicContact CB-CB 4.42Å; N54-K57 HydrophobicContact CB-CD 4.31Å; N54-K57 HydrophobicContact CB-CG 4.4Å; N54-K57 PolarHBondContact O-N 3.36Å; N54-K57 VanDerWaalsContact O-N 3.11Å; N54-A58 PolarHBondContact O-N 3.35Å | ||
| 55 | P | 95.3 | Very high | 93.2 | Very high | 4 Ų | 4 | 57.4 Ų | 57.4 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -66.5 | -24.7 | -177 | 28 | -35.3 | 0 | 0 | 0 | 113.7 | W53 K57 A58 F91 L108 I110 P382 L384 | W53-P55 WeakPolarHBondContact O-CD 3.19Å; P55-K57 PolarHBondContact O-N 3.28Å; P55-A58 WeakPolarHBondContact O-CB 3.25Å; P55-A58 PolarHBondContact O-N 3.23Å; P55-F91 HydrophobicContact CB-CD1 4.5Å; P55-F91 HydrophobicContact CB-CE1 3.96Å; P55-F91 HydrophobicContact CB-CE2 4.3Å; P55-F91 HydrophobicContact CB-CZ 3.83Å; P55-F91 WeakPolarHBondContact O-CZ 3.17Å; P55-L108 HydrophobicContact CB-CD2 4.09Å; P55-L108 WeakPolarHBondContact O-CD2 3.31Å; P55-I110 HydrophobicContact CB-CD1 3.95Å; P55-I110 HydrophobicContact CG-CD1 4.42Å; P55-P382 HydrophobicContact CG-CB 4.15Å; P55-P382 HydrophobicContact CG-CG 4.39Å; P55-L384 HydrophobicContact CB-CD1 4.24Å |
| 56 | E | 93 | Very high | 91.7 | Very high | 127 Ų | 127 | 63.8 Ų | 63.8 | 59% | 0.593 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -71.6 | -19.5 | 176.3 | -56 | 177.4 | 160.7 | 0 | 0 | 112.2 | N54 L108 | N54-E56 VanDerWaalsContact C-N 3.26Å; N54-E56 PolarHBondContact O-N 3.31Å; N54-E56 VanDerWaalsContact OD1-CB 3.29Å; N54-E56 WeakPolarHBondContact OD1-CB 3.42Å; N54-E56 PolarHBondContact OD1-N 3.29Å; E56-L108 HydrophobicContact CG-CD2 4.44Å |
| 57 | K | 94.7 | Very high | 89.9 | Confident | 139 Ų | 139 | 64.9 Ų | 64.9 | 60% | 0.604 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -107.2 | 11.4 | 177.9 | -57.9 | 178.8 | -173.8 | 172.8 | 0 | 112.3 | G51 N54 P55 | G51-K57 WeakPolarHBondContact CA-O 3.28Å; G51-K57 PolarHBondContact N-O 2.64Å; N54-K57 HydrophobicContact CB-CB 4.42Å; N54-K57 HydrophobicContact CB-CD 4.31Å; N54-K57 HydrophobicContact CB-CG 4.4Å; N54-K57 PolarHBondContact O-N 3.36Å; N54-K57 VanDerWaalsContact O-N 3.11Å; P55-K57 PolarHBondContact O-N 3.28Å |
| 58 | A | 95.9 | Very high | 88.5 | Confident | 13 Ų | 13 | 69 Ų | 69 | 11% | 0.107 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -69 | 160.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V43 N54 P55 F91 | V43-A58 WeakPolarHBondContact O-CB 3.46Å; N54-A58 PolarHBondContact O-N 3.35Å; P55-A58 WeakPolarHBondContact O-CB 3.25Å; P55-A58 PolarHBondContact O-N 3.23Å; A58-F91 HydrophobicContact CB-CE1 3.51Å; A58-F91 HydrophobicContact CB-CZ 3.56Å |
| 59 | L | 95.7 | Very high | 87.3 | Confident | 43 Ų | 43 | 71.3 Ų | 71.3 | 23% | 0.225 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 123.3 | 167.3 | 178.6 | 66.2 | 0 | 0 | 0 | 109.1 | G42 V43 L50 C76 L78 | G42-L59 CarbonylContact C-O 3.38Å; G42-L59 WeakPolarHBondContact CA-O 3Å; V43-L59 PolarHBondContact N-O 3.36Å; V43-L59 PolarHBondContact O-N 3.38Å; L50-L59 HydrophobicContact CD2-CB 4.01Å; L50-L59 HydrophobicContact CD2-CD2 4.2Å; L59-C76 HydrophobicContact CD2-CB 3.95Å; L59-C76 HydrophobicContact CG-CB 4.25Å; L59-L78 HydrophobicContact CD2-CD1 4.21Å |
| 60 | F | 95.3 | Very high | 86.8 | Confident | 75 Ų | 75 | 72.3 Ų | 72.3 | 33% | 0.329 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 138 | 176.4 | -67.7 | -70.5 | 0 | 0 | 0 | 112 | V40 V41 F91 L108 | V40-F60 HydrophobicContact CB-CD1 3.88Å; V40-F60 HydrophobicContact CB-CE1 4.29Å; V40-F60 HydrophobicContact CG2-CD1 3.7Å; V40-F60 HydrophobicContact CG2-CE1 3.57Å; V41-F60 WeakPolarHBondContact O-CA 3.41Å; F60-F91 HydrophobicContact CE1-CE2 4.17Å; F60-F91 HydrophobicContact CE1-CZ 4.15Å; F60-L108 HydrophobicContact CE1-CD1 4.03Å; F60-L108 HydrophobicContact CZ-CD1 3.89Å; F60-L108 HydrophobicContact CZ-CD2 4.45Å |
| 61 | C | 94.5 | Very high | 86.4 | Confident | 10 Ų | 10 | 73.7 Ų | 73.7 | 7% | 0.068 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -81.2 | 150.9 | 176.8 | -55.7 | 0 | 0 | 0 | 0 | 112.1 | V41 W74 H75 C76 | V41-C61 HydrophobicContact CB-CB 4.24Å; V41-C61 HydrophobicContact CG1-CB 4.47Å; V41-C61 PolarHBondContact O-N 3.28Å; C61-W74 HydrophobicContact CB-CB 3.83Å; C61-W74 HydrophobicContact CB-CE3 4.28Å; C61-H75 CarbonylContact C-O 3.58Å; C61-H75 VanDerWaalsContact CA-O 3.24Å; C61-H75 WeakPolarHBondContact CA-O 3.44Å; C61-H75 WeakPolarHBondContact CB-O 3.43Å; C61-C76 HydrophobicContact CB-CB 4.2Å |
| 62 | E | 92.2 | Very high | 86.2 | Confident | 150 Ų | 150 | 74.5 Ų | 74.5 | 70% | 0.701 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 136 | 169.6 | -62 | -173 | 171.4 | 0 | 0 | 110.4 | Q64 W74 H75 | E62-Q64 PolarHBondContact O-N 3.27Å; E62-W74 CarbonylContact O-C 3.45Å; E62-W74 WeakPolarHBondContact O-CA 3.48Å; E62-H75 PolarHBondContact N-O 2.94Å; E62-H75 PolarHBondContact O-N 3.09Å |
| 63 | R | 89.6 | Confident | 85.9 | Confident | 109 Ų | 109 | 70.2 Ų | 70.2 | 41% | 0.411 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 121.5 | 176.8 | -168.7 | -176.9 | -166.7 | -135.5 | 9.2 | 109.3 | E66 E72 W74 | R63-E66 IonicContact CZ-OE1 3.87Å; R63-E66 IonicContact NH1-OE1 3.71Å; R63-E66 PolarHBondContact NH1-OE1 3.44Å; R63-E66 VanDerWaalsContact NH2-CD 3.35Å; R63-E66 VanDerWaalsContact NH2-CG 3.3Å; R63-E66 IonicContact NH2-OE1 3.92Å; R63-E66 PolarHBondContact NH2-OE1 3.38Å; R63-E72 IonicContact CZ-OE1 3.19Å; R63-E72 IonicContact CZ-OE2 3.28Å; R63-E72 VanDerWaalsContact NE-CD 3.32Å; R63-E72 IonicContact NE-OE1 3.68Å; R63-E72 IonicContact NE-OE2 3.17Å; R63-E72 PolarHBondContact NE-OE2 2.97Å; R63-E72 IonicContact NH2-OE1 2.7Å; R63-E72 PolarHBondContact NH2-OE1 2.84Å; R63-E72 IonicContact NH2-OE2 3.83Å; R63-E72 PolarHBondContact NH2-OE2 3.19Å; R63-W74 HydrophobicContact CB-CD2 4.22Å; R63-W74 HydrophobicContact CB-CE3 3.99Å; R63-W74 HydrophobicContact CB-CH2 3.97Å; R63-W74 HydrophobicContact CB-CZ2 4.18Å; R63-W74 HydrophobicContact CB-CZ3 3.87Å; R63-W74 HydrophobicContact CG-CD2 4.44Å; R63-W74 HydrophobicContact CG-CH2 4.27Å; R63-W74 HydrophobicContact CG-CZ2 4.01Å |
| 64 | Q | 82.5 | Confident | 85.8 | Confident | 105 Ų | 105 | 70.1 Ų | 70.1 | 49% | 0.491 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | -50.7 | -178.6 | -73.7 | -163.9 | -12.3 | 0 | 0 | 113.4 | E62 T73 H75 | E62-Q64 PolarHBondContact O-N 3.27Å; Q64-T73 PolarHBondContact N-O 3.23Å; Q64-H75 VanDerWaalsContact CD-CB 3.46Å; Q64-H75 HydrophobicContact CG-CB 3.57Å; Q64-H75 PolarHBondContact NE2-ND1 3.3Å |
| 65 | S | 71.6 | Confident | 85.6 | Confident | 45 Ų | 45 | 71 Ų | 71 | 32% | 0.315 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 151.5 | -178.6 | 64.1 | 0 | 0 | 0 | 0 | 112.9 | N67 T73 | S65-N67 PolarHBondContact OG-ND2 2.88Å; S65-N67 PolarHBondContact OG-OD1 2.97Å; S65-T73 PolarHBondContact O-N 3.25Å; S65-T73 VanDerWaalsContact O-N 3.15Å |
| 66 | E | 65.5 | Low | 85.4 | Confident | 133 Ų | 133 | 71 Ų | 71 | 62% | 0.621 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 110.3 | 164.3 | -73.2 | 171.9 | -166.9 | 0 | 0 | 107.7 | R63 E72 | R63-E66 IonicContact CZ-OE1 3.87Å; R63-E66 IonicContact NH1-OE1 3.71Å; R63-E66 PolarHBondContact NH1-OE1 3.44Å; R63-E66 VanDerWaalsContact NH2-CD 3.35Å; R63-E66 VanDerWaalsContact NH2-CG 3.3Å; R63-E66 IonicContact NH2-OE1 3.92Å; R63-E66 PolarHBondContact NH2-OE1 3.38Å; E66-E72 HydrophobicContact CG-CG 4.3Å |
| 67 | N | 59.3 | Low | 85.3 | Confident | 71 Ų | 71 | 68.4 Ų | 68.4 | 38% | 0.38 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 109.4 | -179.2 | -72.8 | -16.5 | 0 | 0 | 0 | 108.5 | S65 T71 T73 | S65-N67 PolarHBondContact OG-ND2 2.88Å; S65-N67 PolarHBondContact OG-OD1 2.97Å; N67-T71 CarbonylContact C-O 3.53Å; N67-T71 PolarHBondContact N-O 3.1Å; N67-T71 CarbonylContact O-C 3.36Å; N67-T71 WeakPolarHBondContact O-CB 3.36Å; N67-T73 PolarHBondContact ND2-OG1 3.29Å; N67-T73 VanDerWaalsContact ND2-OG1 3.14Å |
| 68 | T | 64.7 | Low | 85 | Confident | 119 Ų | 119 | 61.8 Ų | 61.8 | 73% | 0.73 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 167.2 | -179.5 | 75.4 | 0 | 0 | 0 | 0 | 114.7 | N70 T71 | T68-N70 PolarHBondContact O-N 2.96Å; T68-T71 PolarHBondContact O-N 3.5Å |
| 69 | N | 68.5 | Low | 84.5 | Confident | 160 Ų | 160 | 65.6 Ų | 65.6 | 86% | 0.856 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -9.2 | -160.6 | -80.7 | -8.7 | 0 | 0 | 0 | 117.5 | ||
| 70 | N | 81.5 | Confident | 83.9 | Confident | 84 Ų | 84 | 63.7 Ų | 63.7 | 45% | 0.449 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -150.8 | 9.1 | 179.6 | -66.8 | -57.7 | 0 | 0 | 0 | 115.4 | F18 K19 T68 | F18-N70 WeakPolarHBondContact CD2-O 3.47Å; F18-N70 PolarHBondContact N-O 3.35Å; K19-N70 HydrophobicContact CB-CB 4.04Å; T68-N70 PolarHBondContact O-N 2.96Å |
| 71 | T | 88.6 | Confident | 83.1 | Confident | 29 Ų | 29 | 67.7 Ų | 67.7 | 18% | 0.178 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 135.5 | -176.2 | -57.1 | 0 | 0 | 0 | 0 | 111.1 | D15 I16 N67 T68 | D15-T71 HydrophobicContact CB-CG2 4.04Å; I16-T71 VanDerWaalsContact O-CA 3.29Å; I16-T71 WeakPolarHBondContact O-CA 3.44Å; N67-T71 CarbonylContact C-O 3.53Å; N67-T71 PolarHBondContact N-O 3.1Å; N67-T71 CarbonylContact O-C 3.36Å; N67-T71 WeakPolarHBondContact O-CB 3.36Å; T68-T71 PolarHBondContact O-N 3.5Å |
| 72 | E | 90.3 | Very high | 82.4 | Confident | 22 Ų | 22 | 70.3 Ų | 70.3 | 10% | 0.103 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 140.5 | 175.4 | -61.6 | 176.7 | -167.7 | 0 | 0 | 110.9 | D15 I16 F18 R63 E66 W74 | D15-E72 WeakPolarHBondContact CA-O 3.36Å; I16-E72 PolarHBondContact N-O 3.02Å; I16-E72 PolarHBondContact O-N 3Å; F18-E72 HydrophobicContact CD2-CG 4.25Å; F18-E72 HydrophobicContact CE2-CB 3.87Å; F18-E72 HydrophobicContact CE2-CG 3.58Å; R63-E72 IonicContact CZ-OE1 3.19Å; R63-E72 IonicContact CZ-OE2 3.28Å; R63-E72 VanDerWaalsContact NE-CD 3.32Å; R63-E72 IonicContact NE-OE1 3.68Å; R63-E72 IonicContact NE-OE2 3.17Å; R63-E72 PolarHBondContact NE-OE2 2.97Å; R63-E72 IonicContact NH2-OE1 2.7Å; R63-E72 PolarHBondContact NH2-OE1 2.84Å; R63-E72 IonicContact NH2-OE2 3.83Å; R63-E72 PolarHBondContact NH2-OE2 3.19Å; E66-E72 HydrophobicContact CG-CG 4.3Å; E72-W74 WeakPolarHBondContact OE2-CZ2 3.15Å; E72-W74 PolarHBondContact OE2-NE1 2.81Å |
| 73 | T | 92.3 | Very high | 81.8 | Confident | 7 Ų | 7 | 67.2 Ų | 67.2 | 4% | 0.043 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 128.9 | 175.9 | -54.7 | 0 | 0 | 0 | 0 | 110 | D15 Q64 S65 N67 | D15-T73 WeakPolarHBondContact OD1-CB 3.42Å; D15-T73 WeakPolarHBondContact OD1-CG2 3.5Å; D15-T73 PolarHBondContact OD1-OG1 3.18Å; Q64-T73 PolarHBondContact N-O 3.23Å; S65-T73 PolarHBondContact O-N 3.25Å; S65-T73 VanDerWaalsContact O-N 3.15Å; N67-T73 PolarHBondContact ND2-OG1 3.29Å; N67-T73 VanDerWaalsContact ND2-OG1 3.14Å |
| 74 | W | 94.2 | Very high | 81.6 | Confident | 13 Ų | 13 | 64.3 Ų | 64.3 | 5% | 0.049 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 136.5 | -178.5 | -66.4 | 75.5 | 0 | 0 | 0 | 110.3 | S13 V14 I39 V41 C61 E62 R63 E72 | S13-W74 CarbonylContact C-O 3.48Å; S13-W74 WeakPolarHBondContact CA-O 3.42Å; V14-W74 HydrophobicContact CG1-CB 4Å; V14-W74 PolarHBondContact N-O 3.28Å; V14-W74 PolarHBondContact O-N 3.13Å; I39-W74 WeakPolarHBondContact O-CH2 3.42Å; V41-W74 HydrophobicContact CB-CB 4.13Å; V41-W74 HydrophobicContact CB-CD2 3.93Å; V41-W74 HydrophobicContact CB-CE3 4.04Å; V41-W74 HydrophobicContact CB-CG 3.98Å; V41-W74 HydrophobicContact CG1-CB 4.43Å; V41-W74 HydrophobicContact CG2-CB 4.16Å; V41-W74 HydrophobicContact CG2-CD2 3.51Å; V41-W74 HydrophobicContact CG2-CE3 4.02Å; V41-W74 HydrophobicContact CG2-CG 3.56Å; V41-W74 HydrophobicContact CG2-CZ2 4.42Å; C61-W74 HydrophobicContact CB-CB 3.83Å; C61-W74 HydrophobicContact CB-CE3 4.28Å; E62-W74 CarbonylContact O-C 3.45Å; E62-W74 WeakPolarHBondContact O-CA 3.48Å; R63-W74 HydrophobicContact CB-CD2 4.22Å; R63-W74 HydrophobicContact CB-CE3 3.99Å; R63-W74 HydrophobicContact CB-CH2 3.97Å; R63-W74 HydrophobicContact CB-CZ2 4.18Å; R63-W74 HydrophobicContact CB-CZ3 3.87Å; R63-W74 HydrophobicContact CG-CD2 4.44Å; R63-W74 HydrophobicContact CG-CH2 4.27Å; R63-W74 HydrophobicContact CG-CZ2 4.01Å; E72-W74 WeakPolarHBondContact OE2-CZ2 3.15Å; E72-W74 PolarHBondContact OE2-NE1 2.81Å |
| 75 | H | 93.1 | Very high | 81.9 | Confident | 32 Ų | 32 | 62 Ų | 62 | 15% | 0.148 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 140.5 | -170.9 | 172.8 | 86.8 | 0 | 0 | 0 | 112.4 | F12 C61 E62 Q64 C77 E145 | F12-H75 CarbonylContact O-C 3.57Å; F12-H75 VanDerWaalsContact O-CA 3.26Å; F12-H75 WeakPolarHBondContact O-CA 3.31Å; F12-H75 PolarHBondContact O-ND1 2.95Å; C61-H75 CarbonylContact C-O 3.58Å; C61-H75 VanDerWaalsContact CA-O 3.24Å; C61-H75 WeakPolarHBondContact CA-O 3.44Å; C61-H75 WeakPolarHBondContact CB-O 3.43Å; E62-H75 PolarHBondContact N-O 2.94Å; E62-H75 PolarHBondContact O-N 3.09Å; Q64-H75 VanDerWaalsContact CD-CB 3.46Å; Q64-H75 HydrophobicContact CG-CB 3.57Å; Q64-H75 PolarHBondContact NE2-ND1 3.3Å; H75-C77 PolarHBondContact NE2-SG 2.8Å; H75-E145 IonicContact CE1-OE1 2.64Å; H75-E145 PolarHBondContact CE1-OE1 3.42Å; H75-E145 IonicContact CG-OE1 3.06Å; H75-E145 IonicContact ND1-OE1 3.76Å; H75-E145 PolarHBondContact ND1-OE1 3.24Å |
| 76 | C | 91.4 | Very high | 83 | Confident | 5 Ų | 5 | 60 Ų | 60 | 3% | 0.034 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 146.1 | 167.8 | 64.9 | 0 | 0 | 0 | 0 | 112 | F12 L59 C61 | F12-C76 PolarHBondContact N-O 3.04Å; F12-C76 PolarHBondContact O-N 2.83Å; L59-C76 HydrophobicContact CD2-CB 3.95Å; L59-C76 HydrophobicContact CG-CB 4.25Å; C61-C76 HydrophobicContact CB-CB 4.2Å |
| 77 | C | 90.2 | Very high | 84.4 | Confident | 72 Ų | 72 | 56.8 Ų | 56.8 | 49% | 0.486 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 126.6 | 173.9 | -73.4 | 0 | 0 | 0 | 0 | 109.8 | H75 | H75-C77 PolarHBondContact NE2-SG 2.8Å |
| 78 | L | 89 | Confident | 86.2 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 120.3 | 178.3 | -176.5 | 65.2 | 0 | 0 | 0 | 110.3 | T9 V10 F12 L47 V49 L50 L59 L80 F86 | T9-L78 WeakPolarHBondContact CA-O 3.43Å; V10-L78 PolarHBondContact N-O 2.96Å; V10-L78 PolarHBondContact O-N 3.48Å; F12-L78 HydrophobicContact CE2-CB 4.09Å; F12-L78 HydrophobicContact CE2-CD2 3.94Å; L47-L78 HydrophobicContact CD1-CD2 4.05Å; V49-L78 HydrophobicContact CB-CD1 4.21Å; V49-L78 HydrophobicContact CG1-CD1 3.4Å; V49-L78 VanDerWaalsContact CG1-CD1 3.4Å; V49-L78 HydrophobicContact CG1-CG 4.47Å; V49-L78 HydrophobicContact CG2-CD1 3.77Å; L50-L78 HydrophobicContact CD1-CD2 4.32Å; L50-L78 HydrophobicContact CD2-CD1 3.69Å; L50-L78 HydrophobicContact CD2-CD2 4.45Å; L50-L78 HydrophobicContact CG-CD1 4.06Å; L59-L78 HydrophobicContact CD2-CD1 4.21Å; L78-L80 HydrophobicContact CD2-CD2 3.64Å; L78-L80 HydrophobicContact CG-CD2 3.91Å; L78-F86 HydrophobicContact CD2-CE1 4.06Å; L78-F86 HydrophobicContact CD2-CE2 3.8Å; L78-F86 HydrophobicContact CD2-CZ 3.41Å; L78-F86 VanDerWaalsContact CD2-CZ 3.41Å |
| 79 | L | 85.5 | Confident | 87.8 | Confident | 93 Ų | 93 | 48.3 Ų | 48.3 | 49% | 0.487 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 118.1 | 170.6 | -167.1 | 69.4 | 0 | 0 | 0 | 109.9 | H7 T9 | H7-L79 HydrophobicContact CB-CD1 3.56Å; H7-L79 HydrophobicContact CB-CD2 4.32Å; H7-L79 HydrophobicContact CB-CG 3.89Å; T9-L79 HydrophobicContact CG2-CD1 3.58Å |
| 80 | L | 82.6 | Confident | 89.2 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | trans | -91.3 | 127.6 | -178.9 | -62.1 | -177.3 | 0 | 0 | 0 | 111.2 | P8 V10 L47 L78 L83 F86 F122 | P8-L80 HydrophobicContact CB-CB 4.41Å; P8-L80 WeakPolarHBondContact CD-O 3.43Å; P8-L80 HydrophobicContact CG-CB 4.02Å; P8-L80 WeakPolarHBondContact O-CB 3.5Å; P8-L80 PolarHBondContact O-N 3.34Å; V10-L80 HydrophobicContact CG2-CD1 3.53Å; V10-L80 HydrophobicContact CG2-CG 4.17Å; L47-L80 HydrophobicContact CD1-CD2 4.15Å; L78-L80 HydrophobicContact CD2-CD2 3.64Å; L78-L80 HydrophobicContact CG-CD2 3.91Å; L80-L83 HydrophobicContact CD1-CD2 4.41Å; L80-F86 HydrophobicContact CD2-CD1 4.39Å; L80-F86 HydrophobicContact CD2-CE1 3.68Å; L80-F86 HydrophobicContact CD2-CZ 4.28Å; L80-F122 HydrophobicContact CD1-CE1 4.36Å | ||
| 81 | Q | 78.9 | Confident | 90 | Very high | 159 Ų | 159 | 36.7 Ų | 36.7 | 74% | 0.743 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -78.5 | -27.8 | 171.6 | -65.8 | 179.9 | -10.1 | 0 | 0 | 112.3 | ||
| 82 | S | 78.2 | Confident | 90.3 | Very high | 66 Ų | 66 | 35.3 Ų | 35.3 | 46% | 0.462 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -148 | 152.9 | 178.9 | 55.1 | 0 | 0 | 0 | 0 | 111.2 | S84 | S82-S84 PolarHBondContact O-N 2.78Å; S82-S84 PolarHBondContact OG-OG 2.92Å |
| 83 | L | 80.2 | Confident | 90.5 | Very high | 84 Ų | 84 | 34.2 Ų | 34.2 | 44% | 0.44 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -82.8 | 61.6 | 172.1 | -64.5 | 176.3 | 0 | 0 | 0 | 110.8 | P8 L80 P124 V132 | P8-L83 HydrophobicContact CB-CD2 4.07Å; P8-L83 HydrophobicContact CG-CD2 3.88Å; P8-L83 HydrophobicContact CG-CG 4.36Å; L80-L83 HydrophobicContact CD1-CD2 4.41Å; L83-P124 VanDerWaalsContact C-CG 3.41Å; L83-P124 HydrophobicContact CB-CB 4.27Å; L83-P124 HydrophobicContact CB-CG 4.32Å; L83-P124 HydrophobicContact CD2-CB 4.14Å; L83-V132 HydrophobicContact CD2-CG1 4Å; L83-V132 HydrophobicContact CD2-CG2 4.46Å |
| 84 | S | 84.8 | Confident | 90.4 | Very high | 48 Ų | 48 | 34.6 Ų | 34.6 | 34% | 0.336 | 20% | 0.195 | S | C | . | . | trans | -109.9 | 148.5 | 176 | 50 | 0 | 0 | 0 | 0 | 110.9 | S82 P124 | S82-S84 PolarHBondContact O-N 2.78Å; S82-S84 PolarHBondContact OG-OG 2.92Å; S84-P124 WeakPolarHBondContact O-CG 3.38Å | ||
| 85 | A | 90.3 | Very high | 90.1 | Very high | 56 Ų | 56 | 35.2 Ų | 35.2 | 46% | 0.463 | 20% | 0.199 | S | C | . | . | trans | -56.4 | 142.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F122 N123 | A85-F122 VanDerWaalsContact CA-O 3.25Å; A85-F122 WeakPolarHBondContact CA-O 3.03Å; A85-N123 WeakPolarHBondContact CB-OD1 3.19Å | ||
| 86 | F | 94 | Very high | 89.5 | Confident | 4 Ų | 4 | 34.6 Ų | 34.6 | 2% | 0.018 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 161.5 | 174.3 | 65.4 | -94.1 | 0 | 0 | 0 | 112.1 | F12 S46 L47 L50 L78 L80 Y88 E121 F122 | F12-F86 HydrophobicContact CE2-CZ 4.4Å; F12-F86 AromaticContact CZ-CE2 3.96Å; F12-F86 HydrophobicContact CZ-CE2 3.96Å; F12-F86 AromaticContact CZ-CZ 3.84Å; F12-F86 HydrophobicContact CZ-CZ 3.84Å; S46-F86 WeakPolarHBondContact OG-CB 3.48Å; L47-F86 HydrophobicContact CD1-CB 3.98Å; L47-F86 HydrophobicContact CD1-CD1 3.7Å; L47-F86 HydrophobicContact CD1-CD2 3.97Å; L47-F86 HydrophobicContact CD1-CE1 4.08Å; L47-F86 HydrophobicContact CD1-CE2 4.36Å; L47-F86 HydrophobicContact CD1-CG 3.62Å; L47-F86 HydrophobicContact CD1-CZ 4.41Å; L47-F86 HydrophobicContact CD2-CB 3.96Å; L47-F86 HydrophobicContact CD2-CG 4.49Å; L47-F86 HydrophobicContact CG-CB 3.72Å; L47-F86 HydrophobicContact CG-CD1 4.39Å; L47-F86 HydrophobicContact CG-CD2 4.35Å; L47-F86 HydrophobicContact CG-CG 3.94Å; L50-F86 HydrophobicContact CD1-CD2 4.05Å; L50-F86 HydrophobicContact CD1-CE2 4.07Å; L78-F86 HydrophobicContact CD2-CE1 4.06Å; L78-F86 HydrophobicContact CD2-CE2 3.8Å; L78-F86 HydrophobicContact CD2-CZ 3.41Å; L78-F86 VanDerWaalsContact CD2-CZ 3.41Å; L80-F86 HydrophobicContact CD2-CD1 4.39Å; L80-F86 HydrophobicContact CD2-CE1 3.68Å; L80-F86 HydrophobicContact CD2-CZ 4.28Å; F86-Y88 HydrophobicContact CD2-CD1 4.02Å; F86-Y88 AromaticContact CE2-CD1 3.78Å; F86-Y88 HydrophobicContact CE2-CD1 3.78Å; F86-Y88 HydrophobicContact CE2-CE1 4.33Å; F86-Y88 HydrophobicContact CE2-CG 4.45Å; F86-E121 WeakPolarHBondContact O-CA 3.28Å; F86-F122 HydrophobicContact CD1-CB 4.29Å; F86-F122 AromaticContact CD1-CD1 3.75Å; F86-F122 HydrophobicContact CD1-CD1 3.75Å; F86-F122 HydrophobicContact CD1-CG 4.44Å; F86-F122 HydrophobicContact CD2-CB 4.32Å; F86-F122 HydrophobicContact CE1-CB 3.91Å; F86-F122 AromaticContact CE1-CD1 3.1Å; F86-F122 HydrophobicContact CE1-CD1 3.1Å; F86-F122 AromaticContact CE1-CE1 3.78Å; F86-F122 HydrophobicContact CE1-CE1 3.78Å; F86-F122 AromaticContact CE1-CG 3.75Å; F86-F122 HydrophobicContact CE1-CG 3.75Å; F86-F122 HydrophobicContact CE2-CB 3.91Å; F86-F122 HydrophobicContact CE2-CG 4.45Å; F86-F122 HydrophobicContact CG-CB 4.49Å; F86-F122 HydrophobicContact CZ-CB 3.68Å; F86-F122 AromaticContact CZ-CD1 3.58Å; F86-F122 HydrophobicContact CZ-CD1 3.58Å; F86-F122 HydrophobicContact CZ-CE1 4.35Å; F86-F122 AromaticContact CZ-CG 3.73Å; F86-F122 HydrophobicContact CZ-CG 3.73Å; F86-F122 PolarHBondContact N-O 3.05Å; F86-F122 PolarHBondContact O-N 3.01Å |
| 87 | Q | 96.1 | Very high | 88.6 | Confident | 66 Ų | 66 | 37.4 Ų | 37.4 | 31% | 0.308 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 149 | 179.7 | -71.7 | 178.4 | -14.3 | 0 | 0 | 111 | G45 S46 W53 P119 R120 E121 | G45-Q87 CarbonylContact C-O 3.52Å; G45-Q87 WeakPolarHBondContact CA-O 3.45Å; S46-Q87 PolarHBondContact N-O 3.36Å; S46-Q87 PolarHBondContact OG-N 3.07Å; W53-Q87 HydrophobicContact CH2-CB 3.83Å; W53-Q87 HydrophobicContact CZ2-CB 3.71Å; Q87-P119 HydrophobicContact CB-CB 4.19Å; Q87-P119 HydrophobicContact CB-CG 4.47Å; Q87-R120 CarbonylContact C-O 3.6Å; Q87-R120 WeakPolarHBondContact CA-O 3.46Å; Q87-E121 HydrophobicContact CG-CG 4.35Å |
| 88 | Y | 97 | Very high | 87.4 | Confident | 11 Ų | 11 | 39 Ų | 39 | 4% | 0.043 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 165.5 | -177.3 | 63.3 | -78.5 | 0 | 0 | 0 | 112.6 | F12 V43 T44 F86 F90 P119 R120 F122 M148 | F12-Y88 HydrophobicContact CD1-CE2 4.26Å; F12-Y88 HydrophobicContact CE1-CE1 4.1Å; F12-Y88 AromaticContact CE1-CE2 3.96Å; F12-Y88 HydrophobicContact CE1-CE2 3.96Å; F12-Y88 AromaticContact CE1-CZ 3.63Å; F12-Y88 HydrophobicContact CZ-CE1 4.3Å; F12-Y88 HydrophobicContact CZ-CE2 4.45Å; V43-Y88 HydrophobicContact CG1-CD2 4.01Å; V43-Y88 HydrophobicContact CG1-CG 4.41Å; T44-Y88 CarbonylContact O-C 3.41Å; T44-Y88 WeakPolarHBondContact O-CA 3.45Å; F86-Y88 HydrophobicContact CD2-CD1 4.02Å; F86-Y88 AromaticContact CE2-CD1 3.78Å; F86-Y88 HydrophobicContact CE2-CD1 3.78Å; F86-Y88 HydrophobicContact CE2-CE1 4.33Å; F86-Y88 HydrophobicContact CE2-CG 4.45Å; Y88-F90 HydrophobicContact CD2-CE2 4.03Å; Y88-F90 AromaticContact CE2-CE2 3.71Å; Y88-F90 HydrophobicContact CE2-CE2 3.71Å; Y88-F90 HydrophobicContact CE2-CZ 4.34Å; Y88-P119 WeakPolarHBondContact O-CB 3.31Å; Y88-R120 HydrophobicContact CD1-CB 4.09Å; Y88-R120 HydrophobicContact CD2-CB 4.04Å; Y88-R120 HydrophobicContact CE1-CB 3.73Å; Y88-R120 HydrophobicContact CE2-CB 3.7Å; Y88-R120 HydrophobicContact CE2-CG 4.26Å; Y88-R120 HydrophobicContact CG-CB 4.22Å; Y88-R120 PolarHBondContact N-O 3.11Å; Y88-R120 WeakPolarHBondContact O-CB 3.39Å; Y88-R120 PolarHBondContact O-N 3.19Å; Y88-F122 HydrophobicContact CE1-CB 3.96Å; Y88-M148 HydrophobicContact CE2-CE 4.15Å; Y88-M148 HydrophobicContact CE2-SD 4.41Å; Y88-M148 WeakPolarHBondContact OH-CE 3.36Å |
| 89 | R | 97.6 | Very high | 86 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 148 | 173.7 | -72 | 174.4 | -168.6 | -73.7 | -1.3 | 110.2 | V43 T44 W53 E114 R116 L117 P119 L384 | V43-R89 WeakPolarHBondContact CA-O 3.42Å; T44-R89 PolarHBondContact N-O 3.1Å; T44-R89 PolarHBondContact O-N 3.39Å; W53-R89 HydrophobicContact CZ3-CB 4.42Å; W53-R89 HydrophobicContact CZ3-CG 3.94Å; R89-E114 WeakPolarHBondContact CA-OE2 3.46Å; R89-E114 HydrophobicContact CB-CB 4.41Å; R89-E114 WeakPolarHBondContact CD-O 2.99Å; R89-E114 HydrophobicContact CG-CB 4.48Å; R89-E114 PolarHBondContact NH1-O 2.73Å; R89-R116 PolarHBondContact NH1-O 2.89Å; R89-R116 PolarHBondContact NH2-O 3.27Å; R89-L117 PolarHBondContact NH2-O 3.19Å; R89-P119 HydrophobicContact CG-CB 4.11Å; R89-L384 WeakPolarHBondContact CD-O 3.34Å; R89-L384 PolarHBondContact NE-O 3.34Å |
| 90 | F | 97.9 | Very high | 84.9 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 153.3 | 166 | -67.8 | -88.4 | 0 | 0 | 0 | 111.8 | F12 V14 V41 G42 V43 Y88 E114 M148 F150 | F12-F90 HydrophobicContact CB-CZ 4.16Å; V14-F90 HydrophobicContact CB-CD1 4.08Å; V14-F90 HydrophobicContact CB-CE1 3.84Å; V14-F90 HydrophobicContact CB-CE2 4.43Å; V14-F90 HydrophobicContact CB-CG 4.47Å; V14-F90 HydrophobicContact CB-CZ 4.05Å; V14-F90 HydrophobicContact CG1-CD1 3.64Å; V14-F90 HydrophobicContact CG1-CE1 3.56Å; V14-F90 HydrophobicContact CG1-CG 4.39Å; V14-F90 HydrophobicContact CG1-CZ 4.27Å; V14-F90 HydrophobicContact CG2-CD1 4.32Å; V14-F90 HydrophobicContact CG2-CD2 4.38Å; V14-F90 HydrophobicContact CG2-CE1 4.49Å; V14-F90 HydrophobicContact CG2-CG 4.26Å; V41-F90 HydrophobicContact CG1-CD1 3.99Å; G42-F90 CarbonylContact O-C 3.58Å; G42-F90 WeakPolarHBondContact O-CA 3.26Å; V43-F90 HydrophobicContact CB-CE1 4.43Å; V43-F90 HydrophobicContact CG2-CD1 3.53Å; V43-F90 HydrophobicContact CG2-CE1 3.21Å; V43-F90 HydrophobicContact CG2-CZ 3.97Å; Y88-F90 HydrophobicContact CD2-CE2 4.03Å; Y88-F90 AromaticContact CE2-CE2 3.71Å; Y88-F90 HydrophobicContact CE2-CE2 3.71Å; Y88-F90 HydrophobicContact CE2-CZ 4.34Å; F90-E114 HydrophobicContact CB-CG 4.17Å; F90-E114 PolarHBondContact N-OE2 3.27Å; F90-E114 WeakPolarHBondContact O-CG 3.28Å; F90-E114 PolarHBondContact O-N 2.96Å; F90-E114 VanDerWaalsContact O-N 3.13Å; F90-M148 HydrophobicContact CD2-SD 4.01Å; F90-M148 HydrophobicContact CE2-CE 4.11Å; F90-M148 HydrophobicContact CE2-CG 4.25Å; F90-M148 HydrophobicContact CE2-SD 3.32Å; F90-M148 WeakPolarHBondContact CE2-SD 3.5Å; F90-M148 HydrophobicContact CZ-SD 4.16Å; F90-F150 HydrophobicContact CB-CD2 3.64Å; F90-F150 HydrophobicContact CB-CE2 3.81Å |
| 91 | F | 97.6 | Very high | 83.8 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 152.5 | 165.7 | 65 | -90.1 | 0 | 0 | 0 | 110.5 | V41 G42 T44 P55 A58 F60 A93 L108 I110 A112 W113 L384 | V41-F91 CarbonylContact C-O 3.13Å; V41-F91 WeakPolarHBondContact CA-O 3.5Å; G42-F91 PolarHBondContact N-O 3.45Å; G42-F91 WeakPolarHBondContact O-CD1 3.5Å; G42-F91 PolarHBondContact O-N 3.36Å; T44-F91 HydrophobicContact CG2-CD1 4.4Å; T44-F91 HydrophobicContact CG2-CE1 4.37Å; P55-F91 HydrophobicContact CB-CD1 4.5Å; P55-F91 HydrophobicContact CB-CE1 3.96Å; P55-F91 HydrophobicContact CB-CE2 4.3Å; P55-F91 HydrophobicContact CB-CZ 3.83Å; P55-F91 WeakPolarHBondContact O-CZ 3.17Å; A58-F91 HydrophobicContact CB-CE1 3.51Å; A58-F91 HydrophobicContact CB-CZ 3.56Å; F60-F91 HydrophobicContact CE1-CE2 4.17Å; F60-F91 HydrophobicContact CE1-CZ 4.15Å; F91-A93 HydrophobicContact CD2-CB 3.97Å; F91-A93 HydrophobicContact CE2-CB 3.92Å; F91-L108 HydrophobicContact CE2-CD2 4.14Å; F91-L108 HydrophobicContact CZ-CD2 4.4Å; F91-I110 HydrophobicContact CD2-CD1 3.5Å; F91-I110 HydrophobicContact CE2-CD1 3.68Å; F91-I110 HydrophobicContact CG-CD1 4.25Å; F91-A112 WeakPolarHBondContact CA-O 3.41Å; F91-W113 HydrophobicContact CB-CB 3.71Å; F91-L384 HydrophobicContact CB-CD1 4.12Å; F91-L384 HydrophobicContact CD1-CD1 3.77Å; F91-L384 HydrophobicContact CG-CD1 4.12Å |
| 92 | L | 96.1 | Very high | 82.8 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 133.5 | 170.8 | -176.8 | 73.9 | 0 | 0 | 0 | 108.6 | F18 L21 V28 I39 V41 L111 A112 | F18-L92 HydrophobicContact CE1-CD1 4.35Å; F18-L92 HydrophobicContact CE1-CD2 4.14Å; L21-L92 HydrophobicContact CD1-CD2 3.41Å; L21-L92 VanDerWaalsContact CD1-CD2 3.41Å; V28-L92 HydrophobicContact CG2-CD2 4.2Å; I39-L92 HydrophobicContact CG2-CD1 3.62Å; I39-L92 HydrophobicContact CG2-CG 4.44Å; V41-L92 HydrophobicContact CG2-CD1 3.84Å; L92-L111 HydrophobicContact CD2-CB 4.28Å; L92-L111 HydrophobicContact CD2-CD1 4.17Å; L92-L111 HydrophobicContact CG-CB 4.36Å; L92-L111 HydrophobicContact CG-CD1 4.25Å; L92-L111 PolarHBondContact O-N 3.34Å; L92-A112 PolarHBondContact N-O 2.95Å; L92-A112 PolarHBondContact O-N 3.35Å |
| 93 | A | 94.6 | Very high | 81.7 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 161.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I39 V40 F91 L108 K109 I110 | I39-A93 WeakPolarHBondContact CA-O 3.21Å; V40-A93 HydrophobicContact CG2-CB 4.06Å; V40-A93 PolarHBondContact N-O 2.97Å; V40-A93 PolarHBondContact O-N 3.35Å; F91-A93 HydrophobicContact CD2-CB 3.97Å; F91-A93 HydrophobicContact CE2-CB 3.92Å; A93-L108 HydrophobicContact CB-CD1 3.48Å; A93-L108 VanDerWaalsContact CB-CD1 3.48Å; A93-L108 HydrophobicContact CB-CG 4.09Å; A93-K109 CarbonylContact C-O 3.55Å; A93-K109 WeakPolarHBondContact CA-O 3.27Å; A93-K109 VanDerWaalsContact CB-O 3.27Å; A93-K109 WeakPolarHBondContact CB-O 3.47Å; A93-I110 HydrophobicContact CB-CD1 4.11Å |
| 94 | E | 90.2 | Very high | 80.7 | Confident | 14 Ų | 14 | 52.5 Ų | 52.5 | 7% | 0.065 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 118.9 | 168.4 | -171.4 | 176.5 | -166.5 | 0 | 0 | 107.9 | R37 I39 I96 K109 L111 | R37-E94 HydrophobicContact CB-CG 4.19Å; R37-E94 WeakPolarHBondContact CB-OE1 3.4Å; R37-E94 WeakPolarHBondContact CD-OE1 3.48Å; R37-E94 HydrophobicContact CG-CG 4.33Å; R37-E94 WeakPolarHBondContact CG-OE1 3.41Å; R37-E94 IonicContact CZ-OE1 2.89Å; R37-E94 IonicContact NE-OE1 2.71Å; R37-E94 IonicContact NH1-OE1 3.41Å; R37-E94 PolarHBondContact NH1-OE1 3.08Å; I39-E94 HydrophobicContact CD1-CB 4.36Å; I39-E94 HydrophobicContact CD1-CG 4.42Å; E94-I96 HydrophobicContact CG-CG1 4Å; E94-K109 HydrophobicContact CB-CB 4.42Å; E94-K109 PolarHBondContact N-O 3.19Å; E94-K109 PolarHBondContact O-N 3.09Å; E94-K109 IonicContact OE2-NZ 3.94Å; E94-L111 HydrophobicContact CB-CD1 4.28Å; E94-L111 HydrophobicContact CB-CD2 4.27Å; E94-L111 HydrophobicContact CB-CG 4.35Å |
| 95 | L | 87.5 | Confident | 79.8 | Confident | 26 Ų | 26 | 52.4 Ų | 52.4 | 14% | 0.136 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 119.9 | 166.5 | -72.8 | 172.5 | 0 | 0 | 0 | 108.4 | K38 V40 L108 | K38-L95 HydrophobicContact CB-CB 4.34Å; K38-L95 PolarHBondContact N-O 2.99Å; K38-L95 PolarHBondContact O-N 3.38Å; V40-L95 HydrophobicContact CB-CD1 4.41Å; V40-L95 HydrophobicContact CG1-CD1 3.56Å; V40-L95 HydrophobicContact CG1-CG 4.14Å; V40-L95 HydrophobicContact CG2-CD1 4.01Å; V40-L95 HydrophobicContact CG2-CG 3.82Å; L95-L108 HydrophobicContact CD2-CB 4.48Å; L95-L108 HydrophobicContact CD2-CD1 3.57Å; L95-L108 HydrophobicContact CG-CD1 4.22Å |
| 96 | I | 79.6 | Confident | 78.8 | Confident | 19 Ų | 19 | 55.2 Ų | 55.2 | 10% | 0.097 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 106.5 | 178.9 | -54.8 | 171.2 | 0 | 0 | 0 | 107.4 | E94 K98 N107 K109 | E94-I96 HydrophobicContact CG-CG1 4Å; I96-K98 PolarHBondContact O-N 3.35Å; I96-N107 HydrophobicContact CB-CB 4.43Å; I96-N107 PolarHBondContact N-O 2.88Å; I96-N107 PolarHBondContact O-N 3.37Å; I96-K109 HydrophobicContact CD1-CB 4.39Å |
| 97 | E | 72 | Confident | 78.3 | Confident | 64 Ų | 64 | 58.1 Ų | 58.1 | 30% | 0.299 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 112.1 | 172.3 | -74.4 | -179.9 | 174.9 | 0 | 0 | 109.7 | K36 Q106 | K36-E97 HydrophobicContact CB-CB 4.42Å; E97-Q106 HydrophobicContact CG-CG 3.84Å; E97-Q106 PolarHBondContact OE1-NE2 2.58Å |
| 98 | K | 65.9 | Low | 78 | Confident | 107 Ų | 107 | 56 Ų | 56 | 47% | 0.465 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 115.9 | 169 | -161 | 176.8 | -179.2 | 174.7 | 0 | 108.6 | I96 D100 S105 | I96-K98 PolarHBondContact O-N 3.35Å; K98-D100 WeakPolarHBondContact CE-OD1 3.37Å; K98-D100 PolarHBondContact O-N 2.95Å; K98-S105 PolarHBondContact N-O 3.09Å; K98-S105 PolarHBondContact O-N 3.27Å; K98-S105 VanDerWaalsContact O-N 3.14Å |
| 99 | I | 60.7 | Low | 77.7 | Confident | 126 Ų | 126 | 56.7 Ų | 56.7 | 65% | 0.646 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 92.9 | 175.3 | -54.6 | 174 | 0 | 0 | 0 | 106.4 | ||
| 100 | D | 61 | Low | 77.6 | Confident | 48 Ų | 48 | 57 Ų | 57 | 26% | 0.257 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 150.7 | 164.1 | -75.7 | -1.3 | 0 | 0 | 0 | 107.6 | K98 N102 A103 R888 | K98-D100 WeakPolarHBondContact CE-OD1 3.37Å; K98-D100 PolarHBondContact O-N 2.95Å; D100-N102 PolarHBondContact O-N 2.68Å; D100-A103 PolarHBondContact N-O 2.91Å; D100-A103 VanDerWaalsContact N-O 3.13Å; D100-A103 PolarHBondContact O-N 3.16Å; D100-A103 VanDerWaalsContact O-N 3.13Å; D100-A103 VanDerWaalsContact O-O 3.12Å; D100-R888 IonicContact OD2-CZ 3.19Å; D100-R888 IonicContact OD2-NH1 2.64Å; D100-R888 IonicContact OD2-NH2 3.88Å; D100-R888 PolarHBondContact OD2-NH2 3.45Å |
| 101 | E | 59 | Low | 77.4 | Confident | 195 Ų | 195 | 57.5 Ų | 57.5 | 91% | 0.911 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | -21.1 | -171.1 | -67.4 | -176.5 | 159.5 | 0 | 0 | 115.4 | ||
| 102 | N | 58.1 | Low | 77.4 | Confident | 161 Ų | 161 | 57.5 Ų | 57.5 | 86% | 0.861 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128 | 1.6 | -177.1 | -65.8 | -50.3 | 0 | 0 | 0 | 114.8 | D100 | D100-N102 PolarHBondContact O-N 2.68Š|
| 103 | A | 56.5 | Low | 77.4 | Confident | 62 Ų | 62 | 57.6 Ų | 57.6 | 51% | 0.512 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 138 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D100 | D100-A103 PolarHBondContact N-O 2.91Å; D100-A103 VanDerWaalsContact N-O 3.13Å; D100-A103 PolarHBondContact O-N 3.16Å; D100-A103 VanDerWaalsContact O-N 3.13Å; D100-A103 VanDerWaalsContact O-O 3.12Å |
| 104 | V | 58.7 | Low | 77.6 | Confident | 96 Ų | 96 | 57.6 Ų | 57.6 | 58% | 0.582 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 110.3 | 166.1 | -178 | 0 | 0 | 0 | 0 | 107.3 | ||
| 105 | S | 64.6 | Low | 77.8 | Confident | 46 Ų | 46 | 57 Ų | 57 | 32% | 0.322 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 128.6 | 168.4 | 62.9 | 0 | 0 | 0 | 0 | 109.1 | K98 | K98-S105 PolarHBondContact N-O 3.09Å; K98-S105 PolarHBondContact O-N 3.27Å; K98-S105 VanDerWaalsContact O-N 3.14Å |
| 106 | Q | 70.6 | Confident | 78.2 | Confident | 115 Ų | 115 | 58.3 Ų | 58.3 | 54% | 0.537 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 121.6 | 170.5 | -77.8 | 178.2 | -16 | 0 | 0 | 108.7 | E97 | E97-Q106 HydrophobicContact CG-CG 3.84Å; E97-Q106 PolarHBondContact OE1-NE2 2.58Å |
| 107 | N | 82.5 | Confident | 78.9 | Confident | 65 Ų | 65 | 60.2 Ų | 60.2 | 35% | 0.348 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 129.3 | 171.2 | -70.5 | -22.8 | 0 | 0 | 0 | 109 | I96 | I96-N107 HydrophobicContact CB-CB 4.43Å; I96-N107 PolarHBondContact N-O 2.88Å; I96-N107 PolarHBondContact O-N 3.37Å |
| 108 | L | 90 | Very high | 79.9 | Confident | 22 Ų | 22 | 62.2 Ų | 62.2 | 12% | 0.115 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 115.2 | 173.5 | -173.7 | 73.7 | 0 | 0 | 0 | 109.1 | V40 P55 E56 F60 F91 A93 L95 I110 T165 | V40-L108 HydrophobicContact CG2-CD1 4.43Å; P55-L108 HydrophobicContact CB-CD2 4.09Å; P55-L108 WeakPolarHBondContact O-CD2 3.31Å; E56-L108 HydrophobicContact CG-CD2 4.44Å; F60-L108 HydrophobicContact CE1-CD1 4.03Å; F60-L108 HydrophobicContact CZ-CD1 3.89Å; F60-L108 HydrophobicContact CZ-CD2 4.45Å; F91-L108 HydrophobicContact CE2-CD2 4.14Å; F91-L108 HydrophobicContact CZ-CD2 4.4Å; A93-L108 HydrophobicContact CB-CD1 3.48Å; A93-L108 VanDerWaalsContact CB-CD1 3.48Å; A93-L108 HydrophobicContact CB-CG 4.09Å; L95-L108 HydrophobicContact CD2-CB 4.48Å; L95-L108 HydrophobicContact CD2-CD1 3.57Å; L95-L108 HydrophobicContact CG-CD1 4.22Å; L108-I110 HydrophobicContact CD2-CD1 3.9Å; L108-I110 HydrophobicContact CG-CD1 4.13Å; L108-T165 PolarHBondContact O-OG1 2.87Å |
| 109 | K | 91.6 | Very high | 81.4 | Confident | 25 Ų | 25 | 57.6 Ų | 57.6 | 11% | 0.109 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 113.7 | 172.8 | 177.3 | -168.4 | 161.5 | -161.3 | 0 | 109.3 | A93 E94 I96 L111 E300 | A93-K109 CarbonylContact C-O 3.55Å; A93-K109 WeakPolarHBondContact CA-O 3.27Å; A93-K109 VanDerWaalsContact CB-O 3.27Å; A93-K109 WeakPolarHBondContact CB-O 3.47Å; E94-K109 HydrophobicContact CB-CB 4.42Å; E94-K109 PolarHBondContact N-O 3.19Å; E94-K109 PolarHBondContact O-N 3.09Å; E94-K109 IonicContact OE2-NZ 3.94Å; I96-K109 HydrophobicContact CD1-CB 4.39Å; K109-L111 HydrophobicContact CD-CD2 4.09Å; K109-L111 HydrophobicContact CG-CD2 4.38Å; K109-L111 PolarHBondContact O-N 3.49Å; K109-E300 WeakPolarHBondContact CD-OE1 3.47Å; K109-E300 WeakPolarHBondContact CE-OE1 3.24Å; K109-E300 WeakPolarHBondContact CE-OE2 3.33Å; K109-E300 IonicContact NZ-OE1 2.77Å; K109-E300 PolarHBondContact NZ-OE1 2.68Å; K109-E300 IonicContact NZ-OE2 3.67Å; K109-E300 PolarHBondContact NZ-OE2 2.81Å |
| 110 | I | 94.6 | Very high | 83 | Confident | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 123.4 | 174.4 | -52.1 | -57.6 | 0 | 0 | 0 | 108.6 | P55 F91 A93 L108 W113 G162 W163 | P55-I110 HydrophobicContact CB-CD1 3.95Å; P55-I110 HydrophobicContact CG-CD1 4.42Å; F91-I110 HydrophobicContact CD2-CD1 3.5Å; F91-I110 HydrophobicContact CE2-CD1 3.68Å; F91-I110 HydrophobicContact CG-CD1 4.25Å; A93-I110 HydrophobicContact CB-CD1 4.11Å; L108-I110 HydrophobicContact CD2-CD1 3.9Å; L108-I110 HydrophobicContact CG-CD1 4.13Å; I110-W113 HydrophobicContact CG2-CB 4.24Å; I110-G162 WeakPolarHBondContact O-CA 3.31Å; I110-W163 HydrophobicContact CG1-CH2 4.39Å |
| 111 | L | 94.5 | Very high | 84.5 | Confident | 11 Ų | 11 | 54.4 Ų | 54.4 | 6% | 0.058 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | -51.1 | 176.8 | -60.5 | -179.4 | 0 | 0 | 0 | 110.3 | I26 V28 I39 L92 E94 K109 G162 | I26-L111 HydrophobicContact CD1-CB 4.37Å; I26-L111 VanDerWaalsContact CD1-O 3.23Å; I26-L111 WeakPolarHBondContact CD1-O 3.31Å; I26-L111 VanDerWaalsContact CG1-O 3.3Å; I26-L111 WeakPolarHBondContact CG1-O 3.23Å; I26-L111 HydrophobicContact CG2-CB 4.16Å; V28-L111 HydrophobicContact CG2-CD1 4.25Å; I39-L111 HydrophobicContact CD1-CD1 3.79Å; L92-L111 HydrophobicContact CD2-CB 4.28Å; L92-L111 HydrophobicContact CD2-CD1 4.17Å; L92-L111 HydrophobicContact CG-CB 4.36Å; L92-L111 HydrophobicContact CG-CD1 4.25Å; L92-L111 PolarHBondContact O-N 3.34Å; E94-L111 HydrophobicContact CB-CD1 4.28Å; E94-L111 HydrophobicContact CB-CD2 4.27Å; E94-L111 HydrophobicContact CB-CG 4.35Å; K109-L111 HydrophobicContact CD-CD2 4.09Å; K109-L111 HydrophobicContact CG-CD2 4.38Å; K109-L111 PolarHBondContact O-N 3.49Å; L111-G162 PolarHBondContact O-N 3.31Å |
| 112 | A | 96.3 | Very high | 86 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 155.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | L21 I26 F91 L92 F150 V159 Q160 | L21-A112 HydrophobicContact CD2-CB 4.09Å; I26-A112 HydrophobicContact CG1-CB 4.5Å; F91-A112 WeakPolarHBondContact CA-O 3.41Å; L92-A112 PolarHBondContact N-O 2.95Å; L92-A112 PolarHBondContact O-N 3.35Å; A112-F150 HydrophobicContact CB-CE1 4.23Å; A112-F150 HydrophobicContact CB-CZ 4.31Å; A112-V159 HydrophobicContact CB-CG1 3.9Å; A112-Q160 VanDerWaalsContact CA-O 3.31Å; A112-Q160 WeakPolarHBondContact CA-O 3.49Å |
| 113 | W | 97.5 | Very high | 87.4 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 159.8 | -179.2 | 72 | -74.2 | 0 | 0 | 0 | 113 | F91 I110 S115 V159 Q160 L384 T387 Q599 | F91-W113 HydrophobicContact CB-CB 3.71Å; I110-W113 HydrophobicContact CG2-CB 4.24Å; W113-S115 PolarHBondContact O-N 3.33Å; W113-V159 WeakPolarHBondContact O-CA 3.47Å; W113-Q160 PolarHBondContact N-O 3.49Å; W113-Q160 PolarHBondContact O-N 3.47Å; W113-Q160 VanDerWaalsContact O-N 3.12Å; W113-L384 HydrophobicContact CD2-CD2 3.93Å; W113-L384 HydrophobicContact CE3-CB 4.42Å; W113-L384 HydrophobicContact CE3-CD1 4.43Å; W113-L384 HydrophobicContact CE3-CD2 3.75Å; W113-L384 HydrophobicContact CE3-CG 4.44Å; W113-L384 HydrophobicContact CG-CD2 4.42Å; W113-L384 HydrophobicContact CH2-CD2 4.24Å; W113-L384 HydrophobicContact CZ3-CB 4.24Å; W113-L384 HydrophobicContact CZ3-CD2 3.91Å; W113-T387 VanDerWaalsContact CH2-CB 3.42Å; W113-T387 HydrophobicContact CH2-CG2 3.23Å; W113-T387 HydrophobicContact CZ2-CG2 3.96Å; W113-T387 HydrophobicContact CZ3-CG2 3.82Å; W113-Q599 HydrophobicContact CZ2-CB 4.04Å; W113-Q599 HydrophobicContact CZ2-CG 4.5Å |
| 114 | E | 97.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 104.8 | 179 | -63.7 | -172 | 141.5 | 0 | 0 | 112 | R89 F90 R120 F150 G151 F153 F158 | R89-E114 WeakPolarHBondContact CA-OE2 3.46Å; R89-E114 HydrophobicContact CB-CB 4.41Å; R89-E114 WeakPolarHBondContact CD-O 2.99Å; R89-E114 HydrophobicContact CG-CB 4.48Å; R89-E114 PolarHBondContact NH1-O 2.73Å; F90-E114 HydrophobicContact CB-CG 4.17Å; F90-E114 PolarHBondContact N-OE2 3.27Å; F90-E114 WeakPolarHBondContact O-CG 3.28Å; F90-E114 PolarHBondContact O-N 2.96Å; F90-E114 VanDerWaalsContact O-N 3.13Å; E114-R120 VanDerWaalsContact CD-NE 3.32Å; E114-R120 IonicContact OE1-CZ 3.81Å; E114-R120 IonicContact OE1-NE 3.87Å; E114-R120 PolarHBondContact OE1-NE 3Å; E114-R120 IonicContact OE1-NH2 3.87Å; E114-R120 PolarHBondContact OE1-NH2 3.26Å; E114-R120 IonicContact OE2-NE 3.57Å; E114-R120 PolarHBondContact OE2-NE 3.25Å; E114-F150 HydrophobicContact CG-CD2 3.98Å; E114-F150 HydrophobicContact CG-CE2 3.81Å; E114-F150 HydrophobicContact CG-CZ 4.48Å; E114-G151 PolarHBondContact OE1-N 3.3Å; E114-F153 HydrophobicContact CB-CZ 4.46Å; E114-F158 WeakPolarHBondContact CA-O 3.44Å |
| 115 | S | 96 | Very high | 88.7 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -103.1 | 14.6 | -166.8 | 58.7 | 0 | 0 | 0 | 0 | 114.6 | W113 F158 Q160 T387 H390 | W113-S115 PolarHBondContact O-N 3.33Å; S115-F158 PolarHBondContact N-O 2.82Å; S115-F158 PolarHBondContact OG-O 2.87Å; S115-Q160 PolarHBondContact OG-N 3.32Å; S115-T387 WeakPolarHBondContact O-CG2 3.29Å; S115-H390 PolarHBondContact OG-CE1 2.66Å; S115-H390 PolarHBondContact OG-ND1 2.89Å | ||
| 116 | R | 94.9 | Very high | 88.9 | Confident | 55 Ų | 55 | 38.6 Ų | 38.6 | 21% | 0.208 | 20% | 0.202 | C | C | . | . | trans | -63.1 | 136 | 173.3 | -173.7 | 179.2 | -176.5 | -130.2 | 10.6 | 110.5 | R89 K118 F153 N155 F158 | R89-R116 PolarHBondContact NH1-O 2.89Å; R89-R116 PolarHBondContact NH2-O 3.27Å; R116-K118 PolarHBondContact NH1-O 3.47Å; R116-K118 PolarHBondContact O-N 3.39Å; R116-F153 HydrophobicContact CB-CD2 4.28Å; R116-F153 HydrophobicContact CB-CE1 4.49Å; R116-F153 HydrophobicContact CB-CE2 3.91Å; R116-F153 HydrophobicContact CB-CZ 4.03Å; R116-F153 VanDerWaalsContact CD-CG 3.41Å; R116-N155 PolarHBondContact NE-OD1 3.23Å; R116-N155 PolarHBondContact NH2-OD1 2.85Å; R116-F158 HydrophobicContact CB-CB 3.74Å; R116-F158 HydrophobicContact CB-CD1 4.23Å; R116-F158 HydrophobicContact CB-CD2 4.1Å; R116-F158 HydrophobicContact CB-CG 3.76Å; R116-F158 HydrophobicContact CG-CD1 4.37Å; R116-F158 HydrophobicContact CG-CD2 4.12Å; R116-F158 HydrophobicContact CG-CE2 4.38Å; R116-F158 HydrophobicContact CG-CG 4.11Å | ||
| 117 | L | 94 | Very high | 88.6 | Confident | 58 Ų | 58 | 40.1 Ų | 40.1 | 30% | 0.304 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -52.5 | -50 | 179.3 | 174.5 | 62.3 | 0 | 0 | 0 | 113 | R89 P119 V386 T387 Y388 H391 | R89-L117 PolarHBondContact NH2-O 3.19Å; L117-P119 WeakPolarHBondContact O-CD 3.47Å; L117-V386 HydrophobicContact CD1-CG1 4.32Å; L117-T387 WeakPolarHBondContact CD1-O 3.32Å; L117-Y388 HydrophobicContact CD1-CD1 3.75Å; L117-Y388 HydrophobicContact CD1-CE1 3.54Å; L117-Y388 HydrophobicContact CD2-CD1 4.36Å; L117-Y388 HydrophobicContact CD2-CE1 4.21Å; L117-H391 HydrophobicContact CB-CB 4.23Å; L117-H391 HydrophobicContact CD2-CB 4.34Å |
| 118 | K | 93.9 | Very high | 88 | Confident | 106 Ų | 106 | 39.2 Ų | 39.2 | 46% | 0.461 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -83.4 | 117.8 | 174.6 | -169 | -178.8 | 177.1 | -174.3 | 0 | 109.9 | R116 E121 | R116-K118 PolarHBondContact NH1-O 3.47Å; R116-K118 PolarHBondContact O-N 3.39Å; K118-E121 VanDerWaalsContact CE-OE2 3.32Å; K118-E121 WeakPolarHBondContact CE-OE2 3.4Å; K118-E121 IonicContact NZ-OE2 3.55Å; K118-E121 PolarHBondContact NZ-OE2 3.18Å |
| 119 | P | 96.3 | Very high | 86.9 | Confident | 11 Ų | 11 | 42.7 Ų | 42.7 | 7% | 0.071 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -60.1 | 171.5 | 173.1 | -16 | 26.3 | 0 | 0 | 0 | 112.7 | W53 Q87 Y88 R89 L117 | W53-P119 HydrophobicContact CH2-CB 3.59Å; W53-P119 HydrophobicContact CH2-CG 3.54Å; W53-P119 HydrophobicContact CZ2-CG 4.25Å; W53-P119 HydrophobicContact CZ3-CB 4.19Å; W53-P119 HydrophobicContact CZ3-CG 4.19Å; Q87-P119 HydrophobicContact CB-CB 4.19Å; Q87-P119 HydrophobicContact CB-CG 4.47Å; Y88-P119 WeakPolarHBondContact O-CB 3.31Å; R89-P119 HydrophobicContact CG-CB 4.11Å; L117-P119 WeakPolarHBondContact O-CD 3.47Å |
| 120 | R | 95.1 | Very high | 85.9 | Confident | 29 Ų | 29 | 47.5 Ų | 47.5 | 11% | 0.109 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 150.8 | 166.1 | -60.7 | 178.9 | -179.9 | -82.8 | -2.2 | 109.3 | Q87 Y88 E114 M148 E149 V152 F153 | Q87-R120 CarbonylContact C-O 3.6Å; Q87-R120 WeakPolarHBondContact CA-O 3.46Å; Y88-R120 HydrophobicContact CD1-CB 4.09Å; Y88-R120 HydrophobicContact CD2-CB 4.04Å; Y88-R120 HydrophobicContact CE1-CB 3.73Å; Y88-R120 HydrophobicContact CE2-CB 3.7Å; Y88-R120 HydrophobicContact CE2-CG 4.26Å; Y88-R120 HydrophobicContact CG-CB 4.22Å; Y88-R120 PolarHBondContact N-O 3.11Å; Y88-R120 WeakPolarHBondContact O-CB 3.39Å; Y88-R120 PolarHBondContact O-N 3.19Å; E114-R120 VanDerWaalsContact CD-NE 3.32Å; E114-R120 IonicContact OE1-CZ 3.81Å; E114-R120 IonicContact OE1-NE 3.87Å; E114-R120 PolarHBondContact OE1-NE 3Å; E114-R120 IonicContact OE1-NH2 3.87Å; E114-R120 PolarHBondContact OE1-NH2 3.26Å; E114-R120 IonicContact OE2-NE 3.57Å; E114-R120 PolarHBondContact OE2-NE 3.25Å; R120-M148 WeakPolarHBondContact CD-SD 3.01Å; R120-M148 PolarHBondContact NE-SD 3.04Å; R120-M148 VanDerWaalsContact NE-SD 3.4Å; R120-M148 PolarHBondContact NH1-SD 2.64Å; R120-M148 VanDerWaalsContact NH1-SD 3.39Å; R120-E149 PolarHBondContact NH2-O 3.4Å; R120-E149 VanDerWaalsContact NH2-O 3.11Å; R120-V152 PolarHBondContact NH2-O 3.26Å; R120-F153 HydrophobicContact CG-CE1 3.56Å; R120-F153 HydrophobicContact CG-CZ 3.96Å |
| 121 | E | 93.1 | Very high | 84.8 | Confident | 78 Ų | 78 | 48.1 Ų | 48.1 | 36% | 0.364 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 131.8 | -176.5 | -168.8 | -178.8 | 152.1 | 0 | 0 | 109 | F86 Q87 K118 N123 | F86-E121 WeakPolarHBondContact O-CA 3.28Å; Q87-E121 HydrophobicContact CG-CG 4.35Å; K118-E121 VanDerWaalsContact CE-OE2 3.32Å; K118-E121 WeakPolarHBondContact CE-OE2 3.4Å; K118-E121 IonicContact NZ-OE2 3.55Å; K118-E121 PolarHBondContact NZ-OE2 3.18Å; E121-N123 PolarHBondContact OE1-ND2 3.18Å; E121-N123 PolarHBondContact OE1-OD1 3.19Å |
| 122 | F | 90.5 | Very high | 83.6 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 0% | 0.004 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 125.7 | 173.2 | 175.5 | -92.5 | 0 | 0 | 0 | 109.5 | V10 L80 A85 F86 Y88 P124 N128 V132 I146 | V10-F122 HydrophobicContact CG1-CD2 4.44Å; V10-F122 HydrophobicContact CG1-CE2 3.9Å; V10-F122 HydrophobicContact CG1-CZ 4.1Å; V10-F122 HydrophobicContact CG2-CE1 4.03Å; V10-F122 HydrophobicContact CG2-CE2 4.25Å; V10-F122 HydrophobicContact CG2-CZ 3.6Å; L80-F122 HydrophobicContact CD1-CE1 4.36Å; A85-F122 VanDerWaalsContact CA-O 3.25Å; A85-F122 WeakPolarHBondContact CA-O 3.03Å; F86-F122 HydrophobicContact CD1-CB 4.29Å; F86-F122 AromaticContact CD1-CD1 3.75Å; F86-F122 HydrophobicContact CD1-CD1 3.75Å; F86-F122 HydrophobicContact CD1-CG 4.44Å; F86-F122 HydrophobicContact CD2-CB 4.32Å; F86-F122 HydrophobicContact CE1-CB 3.91Å; F86-F122 AromaticContact CE1-CD1 3.1Å; F86-F122 HydrophobicContact CE1-CD1 3.1Å; F86-F122 AromaticContact CE1-CE1 3.78Å; F86-F122 HydrophobicContact CE1-CE1 3.78Å; F86-F122 AromaticContact CE1-CG 3.75Å; F86-F122 HydrophobicContact CE1-CG 3.75Å; F86-F122 HydrophobicContact CE2-CB 3.91Å; F86-F122 HydrophobicContact CE2-CG 4.45Å; F86-F122 HydrophobicContact CG-CB 4.49Å; F86-F122 HydrophobicContact CZ-CB 3.68Å; F86-F122 AromaticContact CZ-CD1 3.58Å; F86-F122 HydrophobicContact CZ-CD1 3.58Å; F86-F122 HydrophobicContact CZ-CE1 4.35Å; F86-F122 AromaticContact CZ-CG 3.73Å; F86-F122 HydrophobicContact CZ-CG 3.73Å; F86-F122 PolarHBondContact N-O 3.05Å; F86-F122 PolarHBondContact O-N 3.01Å; Y88-F122 HydrophobicContact CE1-CB 3.96Å; F122-P124 HydrophobicContact CD1-CB 4.47Å; F122-P124 HydrophobicContact CD1-CG 4.41Å; F122-P124 HydrophobicContact CE1-CB 3.67Å; F122-P124 HydrophobicContact CE1-CG 4.03Å; F122-P124 HydrophobicContact CZ-CB 4.27Å; F122-N128 HydrophobicContact CD2-CB 4.23Å; F122-N128 WeakPolarHBondContact CD2-ND2 3.48Å; F122-N128 HydrophobicContact CE2-CB 3.64Å; F122-N128 HydrophobicContact CZ-CB 4.1Å; F122-V132 HydrophobicContact CE1-CG2 4.5Å; F122-V132 HydrophobicContact CZ-CG2 3.88Å; F122-I146 HydrophobicContact CD2-CD1 3.48Å; F122-I146 VanDerWaalsContact CD2-CD1 3.48Å; F122-I146 HydrophobicContact CE2-CD1 3.61Å |
| 123 | N | 86.3 | Confident | 82.1 | Confident | 62 Ų | 62 | 51 Ų | 51 | 33% | 0.332 | 27% | 0.273 | S | S | . | . | trans | -119.1 | 96 | -176.9 | -77.3 | -39.1 | 0 | 0 | 0 | 111.4 | A85 E121 T125 N128 | A85-N123 WeakPolarHBondContact CB-OD1 3.19Å; E121-N123 PolarHBondContact OE1-ND2 3.18Å; E121-N123 PolarHBondContact OE1-OD1 3.19Å; N123-T125 PolarHBondContact O-N 3.44Å; N123-N128 WeakPolarHBondContact O-CB 3.28Å | ||
| 124 | P | 73.7 | Confident | 80.1 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -10.8 | -173.4 | 22.2 | -28.3 | 0 | 0 | 0 | 115.2 | L83 S84 F122 L129 V132 | L83-P124 VanDerWaalsContact C-CG 3.41Å; L83-P124 HydrophobicContact CB-CB 4.27Å; L83-P124 HydrophobicContact CB-CG 4.32Å; L83-P124 HydrophobicContact CD2-CB 4.14Å; S84-P124 WeakPolarHBondContact O-CG 3.38Å; F122-P124 HydrophobicContact CD1-CB 4.47Å; F122-P124 HydrophobicContact CD1-CG 4.41Å; F122-P124 HydrophobicContact CE1-CB 3.67Å; F122-P124 HydrophobicContact CE1-CG 4.03Å; F122-P124 HydrophobicContact CZ-CB 4.27Å; P124-L129 WeakPolarHBondContact O-CD1 3.21Å; P124-V132 HydrophobicContact CB-CG2 4.47Å |
| 125 | T | 69.7 | Low | 77.7 | Confident | 122 Ų | 122 | 61.1 Ų | 61.1 | 75% | 0.748 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | 6.8 | -173.5 | 54.4 | 0 | 0 | 0 | 0 | 114.1 | N123 | N123-T125 PolarHBondContact O-N 3.44Š|
| 126 | G | 67.6 | Low | 75.1 | Confident | 42 Ų | 42 | 67.1 Ų | 67.1 | 43% | 0.433 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.8 | -133 | -180 | 0 | 0 | 0 | 0 | 0 | 111.6 | N128 L129 | G126-N128 PolarHBondContact O-N 3.45Å; G126-L129 PolarHBondContact O-N 3.33Å; G126-L129 VanDerWaalsContact O-N 3.09Å |
| 127 | N | 65.2 | Low | 72.7 | Confident | 148 Ų | 148 | 72.7 Ų | 72.7 | 79% | 0.791 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -19.7 | -176.9 | -63.9 | -3.2 | 0 | 0 | 0 | 113.5 | H130 | N127-H130 PolarHBondContact O-CE1 2.81Å; N127-H130 PolarHBondContact O-ND1 3.23Å |
| 128 | N | 69.5 | Low | 70.1 | Confident | 45 Ų | 45 | 77.4 Ų | 77.4 | 24% | 0.241 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 1 | -178.1 | -57.7 | -6.7 | 0 | 0 | 0 | 114.6 | F122 N123 G126 H130 L131 | F122-N128 HydrophobicContact CD2-CB 4.23Å; F122-N128 WeakPolarHBondContact CD2-ND2 3.48Å; F122-N128 HydrophobicContact CE2-CB 3.64Å; F122-N128 HydrophobicContact CZ-CB 4.1Å; N123-N128 WeakPolarHBondContact O-CB 3.28Å; G126-N128 PolarHBondContact O-N 3.45Å; N128-H130 PolarHBondContact O-N 3.01Å; N128-L131 HydrophobicContact CB-CD1 3.86Å; N128-L131 VanDerWaalsContact O-CB 3.31Å; N128-L131 WeakPolarHBondContact O-CB 3.36Å; N128-L131 PolarHBondContact O-N 2.84Å |
| 129 | L | 67 | Low | 67.3 | Low | 96 Ų | 96 | 80.1 Ų | 80.1 | 50% | 0.503 | 44% | 0.442 | S | S | . | . | G | 310 helix | trans | -60.2 | -34.2 | -178.7 | -175.8 | 63.3 | 0 | 0 | 0 | 112 | P124 G126 L131 V132 | P124-L129 WeakPolarHBondContact O-CD1 3.21Å; G126-L129 PolarHBondContact O-N 3.33Å; G126-L129 VanDerWaalsContact O-N 3.09Å; L129-L131 PolarHBondContact O-N 2.81Å; L129-V132 WeakPolarHBondContact O-CB 3.29Å; L129-V132 PolarHBondContact O-N 3.34Å; L129-V132 VanDerWaalsContact O-N 3.13Å |
| 130 | H | 70.4 | Confident | 64.7 | Low | 126 Ų | 126 | 85 Ų | 85 | 58% | 0.583 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -66 | -19.6 | 176.2 | 74.8 | -82.1 | 0 | 0 | 0 | 113.6 | N127 N128 V132 T144 | N127-H130 PolarHBondContact O-CE1 2.81Å; N127-H130 PolarHBondContact O-ND1 3.23Å; N128-H130 PolarHBondContact O-N 3.01Å; H130-V132 VanDerWaalsContact C-N 3.27Å; H130-T144 WeakPolarHBondContact O-CG2 3.38Å |
| 131 | L | 72.5 | Confident | 62.4 | Low | 18 Ų | 18 | 89.4 Ų | 89.4 | 9% | 0.094 | 50% | 0.497 | C | S | . | . | G | 310 helix | trans | -84.3 | -4.2 | 177 | -59 | 166.7 | 0 | 0 | 0 | 112.4 | N128 L129 I146 | N128-L131 HydrophobicContact CB-CD1 3.86Å; N128-L131 VanDerWaalsContact O-CB 3.31Å; N128-L131 WeakPolarHBondContact O-CB 3.36Å; N128-L131 PolarHBondContact O-N 2.84Å; L129-L131 PolarHBondContact O-N 2.81Å; L131-I146 HydrophobicContact CD1-CD1 4.05Å; L131-I146 HydrophobicContact CD1-CG1 3.59Å; L131-I146 HydrophobicContact CD2-CG1 4.45Å; L131-I146 HydrophobicContact CG-CG1 4.41Å |
| 132 | V | 69.2 | Low | 60.2 | Low | 20 Ų | 20 | 95 Ų | 95 | 12% | 0.121 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 112.4 | 177.3 | -174.8 | 0 | 0 | 0 | 0 | 108.4 | P8 V10 L83 F122 P124 L129 H130 | P8-V132 HydrophobicContact CB-CG1 3.37Å; V10-V132 HydrophobicContact CG2-CG2 3.92Å; L83-V132 HydrophobicContact CD2-CG1 4Å; L83-V132 HydrophobicContact CD2-CG2 4.46Å; F122-V132 HydrophobicContact CE1-CG2 4.5Å; F122-V132 HydrophobicContact CZ-CG2 3.88Å; P124-V132 HydrophobicContact CB-CG2 4.47Å; L129-V132 WeakPolarHBondContact O-CB 3.29Å; L129-V132 PolarHBondContact O-N 3.34Å; L129-V132 VanDerWaalsContact O-N 3.13Å; H130-V132 VanDerWaalsContact C-N 3.27Å |
| 133 | S | 64 | Low | 58.3 | Low | 51 Ų | 51 | 100.8 Ų | 100.8 | 36% | 0.357 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.1 | 129.6 | 172.3 | 57.3 | 0 | 0 | 0 | 0 | 110.2 | T9 | T9-S133 PolarHBondContact N-O 3.36Å; T9-S133 PolarHBondContact O-N 2.85Å; T9-S133 PolarHBondContact OG1-OG 2.91Å |
| 134 | A | 54.8 | Low | 57.2 | Low | 76 Ų | 76 | 100.3 Ų | 100.3 | 63% | 0.628 | 55% | 0.551 | S | S | * | * | trans | -118.5 | 110.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 135 | L | 49 | Very low | 57.2 | Low | 140 Ų | 140 | 103 Ų | 103 | 73% | 0.733 | 56% | 0.563 | S | S | * | * | S | Bend | trans | 103.4 | 119.8 | 174.9 | -60.1 | 150.4 | 0 | 0 | 0 | 116 | C6 | C6-L135 HydrophobicContact CB-CD2 4.33Š|
| 136 | D | 41.3 | Very low | 58 | Low | 125 Ų | 125 | 98.5 Ų | 98.5 | 67% | 0.668 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -61.1 | 143.8 | 170.6 | -75.9 | -52.9 | 0 | 0 | 0 | 113.5 | ||
| 137 | H | 42.7 | Very low | 59 | Low | 173 Ų | 173 | 101.5 Ų | 101.5 | 80% | 0.801 | 54% | 0.537 | S | S | * | . | S | Bend | trans | 98.2 | 8.4 | 151.8 | -58.7 | -43.5 | 0 | 0 | 0 | 122.5 | ||
| 138 | L | 40.5 | Very low | 60.4 | Low | 156 Ų | 156 | 95.3 Ų | 95.3 | 82% | 0.817 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -135.4 | 96.5 | 171.6 | -74.3 | 164.8 | 0 | 0 | 0 | 112.3 | ||
| 139 | N | 34.4 | Very low | 61.6 | Low | 163 Ų | 163 | 97.3 Ų | 97.3 | 87% | 0.872 | 51% | 0.511 | S | S | * | . | trans | 22.9 | 99 | 154.2 | -73.7 | -16.3 | 0 | 0 | 0 | 117.1 | ||||
| 140 | T | 41.5 | Very low | 63 | Low | 114 Ų | 114 | 93.2 Ų | 93.2 | 70% | 0.699 | 49% | 0.489 | S | S | * | . | trans | -153.4 | 107.4 | 160.3 | 46.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 141 | D | 46.8 | Very low | 64.2 | Low | 122 Ų | 122 | 87.2 Ų | 87.2 | 65% | 0.652 | 46% | 0.461 | S | S | * | . | trans | 31.4 | 139.3 | 157.7 | -71.4 | -43.4 | 0 | 0 | 0 | 122.4 | D143 T144 | D141-D143 HydrophobicContact CB-CB 3.99Å; D141-D143 PolarHBondContact O-N 2.79Å; D141-T144 PolarHBondContact O-N 2.72Å; D141-T144 PolarHBondContact O-OG1 3.1Å | ||
| 142 | K | 48.2 | Very low | 65.3 | Low | 195 Ų | 195 | 88.8 Ų | 88.8 | 85% | 0.848 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.8 | -9.4 | 162.1 | -73.6 | -172.6 | 172.6 | -170.5 | 0 | 114 | T144 | K142-T144 VanDerWaalsContact C-N 3.29Å; K142-T144 PolarHBondContact O-N 3.18Å |
| 143 | D | 49.8 | Very low | 66.4 | Low | 123 Ų | 123 | 88.9 Ų | 88.9 | 66% | 0.658 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -3.5 | -174.7 | -65 | -20.3 | 0 | 0 | 0 | 114.4 | D141 | D141-D143 HydrophobicContact CB-CB 3.99Å; D141-D143 PolarHBondContact O-N 2.79Å |
| 144 | T | 62.3 | Low | 67.7 | Low | 51 Ų | 51 | 95.8 Ų | 95.8 | 31% | 0.313 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -105.3 | 39.3 | -178.8 | 48.5 | 0 | 0 | 0 | 0 | 113.8 | H130 D141 K142 | H130-T144 WeakPolarHBondContact O-CG2 3.38Å; D141-T144 PolarHBondContact O-N 2.72Å; D141-T144 PolarHBondContact O-OG1 3.1Å; K142-T144 VanDerWaalsContact C-N 3.29Å; K142-T144 PolarHBondContact O-N 3.18Å |
| 145 | E | 75.2 | Confident | 69.3 | Low | 58 Ų | 58 | 95.8 Ų | 95.8 | 27% | 0.271 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 137.8 | -177.8 | -178.2 | 165.7 | -149 | 0 | 0 | 112 | S13 H75 H147 | S13-E145 WeakPolarHBondContact CB-OE1 3.47Å; S13-E145 PolarHBondContact OG-OE1 3.05Å; H75-E145 IonicContact CE1-OE1 2.64Å; H75-E145 PolarHBondContact CE1-OE1 3.42Å; H75-E145 IonicContact CG-OE1 3.06Å; H75-E145 IonicContact ND1-OE1 3.76Å; H75-E145 PolarHBondContact ND1-OE1 3.24Å; E145-H147 PolarHBondContact O-N 3.29Å |
| 146 | I | 85.1 | Confident | 71.3 | Confident | 26 Ų | 26 | 90 Ų | 90 | 13% | 0.133 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 103.6 | 171.1 | -58.7 | 170.2 | 0 | 0 | 0 | 108.1 | V10 S11 F12 S13 F122 L131 M148 | V10-I146 HydrophobicContact CG1-CD1 3.92Å; S11-I146 PolarHBondContact O-N 3.29Å; F12-I146 WeakPolarHBondContact CA-O 3.38Å; F12-I146 HydrophobicContact CD1-CB 3.92Å; F12-I146 HydrophobicContact CD1-CD1 3.93Å; F12-I146 HydrophobicContact CD1-CG1 4.48Å; F12-I146 HydrophobicContact CD1-CG2 4.22Å; F12-I146 HydrophobicContact CE1-CB 4.4Å; F12-I146 HydrophobicContact CE1-CD1 3.55Å; F12-I146 HydrophobicContact CZ-CD1 4.46Å; S13-I146 PolarHBondContact N-O 2.8Å; F122-I146 HydrophobicContact CD2-CD1 3.48Å; F122-I146 VanDerWaalsContact CD2-CD1 3.48Å; F122-I146 HydrophobicContact CE2-CD1 3.61Å; L131-I146 HydrophobicContact CD1-CD1 4.05Å; L131-I146 HydrophobicContact CD1-CG1 3.59Å; L131-I146 HydrophobicContact CD2-CG1 4.45Å; L131-I146 HydrophobicContact CG-CG1 4.41Å; I146-M148 HydrophobicContact CB-CE 4.41Å; I146-M148 HydrophobicContact CG2-CE 3.31Å |
| 147 | H | 90.3 | Very high | 73.8 | Confident | 106 Ų | 106 | 87 Ų | 87 | 49% | 0.491 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 137.9 | 174 | -174 | -87.2 | 0 | 0 | 0 | 111.2 | S13 D15 E145 | S13-H147 CarbonylContact O-C 3.53Å; S13-H147 WeakPolarHBondContact O-CA 3.39Å; D15-H147 VanDerWaalsContact CG-CE1 3.49Å; D15-H147 IonicContact OD1-CE1 3.23Å; D15-H147 IonicContact OD1-NE2 3.79Å; D15-H147 PolarHBondContact OD1-NE2 2.98Å; D15-H147 IonicContact OD2-CE1 2.78Å; D15-H147 PolarHBondContact OD2-CE1 2.97Å; D15-H147 IonicContact OD2-NE2 3.75Å; D15-H147 PolarHBondContact OD2-NE2 3.42Å; E145-H147 PolarHBondContact O-N 3.29Å |
| 148 | M | 93.5 | Very high | 76.3 | Confident | 18 Ų | 18 | 80.1 Ų | 80.1 | 9% | 0.089 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 166.2 | 177.8 | 65.2 | -170.4 | 77 | 0 | 0 | 112.6 | F12 S13 V14 D15 Y88 F90 R120 I146 | F12-M148 HydrophobicContact CD1-CE 4.27Å; S13-M148 PolarHBondContact O-N 3.47Å; V14-M148 CarbonylContact C-O 3.55Å; V14-M148 VanDerWaalsContact CA-O 3.28Å; V14-M148 WeakPolarHBondContact CA-O 3.47Å; V14-M148 HydrophobicContact CB-CG 4.27Å; V14-M148 HydrophobicContact CG2-CG 4.13Å; D15-M148 PolarHBondContact N-O 3.3Å; Y88-M148 HydrophobicContact CE2-CE 4.15Å; Y88-M148 HydrophobicContact CE2-SD 4.41Å; Y88-M148 WeakPolarHBondContact OH-CE 3.36Å; F90-M148 HydrophobicContact CD2-SD 4.01Å; F90-M148 HydrophobicContact CE2-CE 4.11Å; F90-M148 HydrophobicContact CE2-CG 4.25Å; F90-M148 HydrophobicContact CE2-SD 3.32Å; F90-M148 WeakPolarHBondContact CE2-SD 3.5Å; F90-M148 HydrophobicContact CZ-SD 4.16Å; R120-M148 WeakPolarHBondContact CD-SD 3.01Å; R120-M148 PolarHBondContact NE-SD 3.04Å; R120-M148 VanDerWaalsContact NE-SD 3.4Å; R120-M148 PolarHBondContact NH1-SD 2.64Å; R120-M148 VanDerWaalsContact NH1-SD 3.39Å; I146-M148 HydrophobicContact CB-CE 4.41Å; I146-M148 HydrophobicContact CG2-CE 3.31Å |
| 149 | E | 94.7 | Very high | 79 | Confident | 87 Ų | 87 | 73.3 Ų | 73.3 | 41% | 0.407 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 136.2 | 171.6 | -173 | 179.7 | 172.3 | 0 | 0 | 110.3 | R120 G151 V152 | R120-E149 PolarHBondContact NH2-O 3.4Å; R120-E149 VanDerWaalsContact NH2-O 3.11Å; E149-G151 PolarHBondContact O-N 2.9Å; E149-V152 HydrophobicContact CB-CB 4.05Å; E149-V152 HydrophobicContact CB-CG2 4.05Å; E149-V152 HydrophobicContact CG-CB 4.31Å; E149-V152 HydrophobicContact CG-CG2 3.74Å; E149-V152 PolarHBondContact O-N 3.22Å |
| 150 | F | 96.3 | Very high | 81.9 | Confident | 9 Ų | 9 | 66 Ų | 66 | 4% | 0.039 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 127.1 | -177.3 | 174.6 | -102.9 | 0 | 0 | 0 | 112.6 | V14 D15 I16 L21 F90 A112 E114 V152 V159 | V14-F150 HydrophobicContact CG2-CB 3.84Å; D15-F150 WeakPolarHBondContact O-CB 3.08Å; D15-F150 PolarHBondContact O-N 3.43Å; I16-F150 HydrophobicContact CD1-CB 3.36Å; I16-F150 HydrophobicContact CD1-CD1 4.32Å; I16-F150 HydrophobicContact CD1-CD2 3.9Å; I16-F150 HydrophobicContact CD1-CG 3.62Å; L21-F150 HydrophobicContact CD2-CD1 4.18Å; L21-F150 HydrophobicContact CD2-CE1 3.9Å; F90-F150 HydrophobicContact CB-CD2 3.64Å; F90-F150 HydrophobicContact CB-CE2 3.81Å; A112-F150 HydrophobicContact CB-CE1 4.23Å; A112-F150 HydrophobicContact CB-CZ 4.31Å; E114-F150 HydrophobicContact CG-CD2 3.98Å; E114-F150 HydrophobicContact CG-CE2 3.81Å; E114-F150 HydrophobicContact CG-CZ 4.48Å; F150-V152 PolarHBondContact O-N 3.04Å; F150-V152 VanDerWaalsContact O-N 3.1Å; F150-V159 HydrophobicContact CD1-CG2 4.02Å; F150-V159 HydrophobicContact CE1-CG1 3.9Å; F150-V159 HydrophobicContact CE1-CG2 3.81Å |
| 151 | G | 95.5 | Very high | 84.4 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | -9.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | E114 E149 F153 N157 F158 | E114-G151 PolarHBondContact OE1-N 3.3Å; E149-G151 PolarHBondContact O-N 2.9Å; G151-F153 VanDerWaalsContact O-CD2 3.25Å; G151-F153 WeakPolarHBondContact O-CD2 3.41Å; G151-N157 WeakPolarHBondContact O-CA 3.45Å; G151-N157 PolarHBondContact O-OD1 3.13Å; G151-F158 PolarHBondContact O-N 3.41Å |
| 152 | V | 95.7 | Very high | 86.7 | Confident | 52 Ų | 52 | 57 Ų | 57 | 32% | 0.315 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 126.1 | 177.5 | -178.4 | 0 | 0 | 0 | 0 | 110.2 | R120 E149 F150 | R120-V152 PolarHBondContact NH2-O 3.26Å; E149-V152 HydrophobicContact CB-CB 4.05Å; E149-V152 HydrophobicContact CB-CG2 4.05Å; E149-V152 HydrophobicContact CG-CB 4.31Å; E149-V152 HydrophobicContact CG-CG2 3.74Å; E149-V152 PolarHBondContact O-N 3.22Å; F150-V152 PolarHBondContact O-N 3.04Å; F150-V152 VanDerWaalsContact O-N 3.1Å |
| 153 | F | 93.9 | Very high | 88.9 | Confident | 22 Ų | 22 | 48.9 Ų | 48.9 | 10% | 0.096 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 167.4 | 174.3 | -63.2 | -101.2 | 0 | 0 | 0 | 109.1 | E114 R116 R120 G151 N155 G156 F158 | E114-F153 HydrophobicContact CB-CZ 4.46Å; R116-F153 HydrophobicContact CB-CD2 4.28Å; R116-F153 HydrophobicContact CB-CE1 4.49Å; R116-F153 HydrophobicContact CB-CE2 3.91Å; R116-F153 HydrophobicContact CB-CZ 4.03Å; R116-F153 VanDerWaalsContact CD-CG 3.41Å; R120-F153 HydrophobicContact CG-CE1 3.56Å; R120-F153 HydrophobicContact CG-CZ 3.96Å; G151-F153 VanDerWaalsContact O-CD2 3.25Å; G151-F153 WeakPolarHBondContact O-CD2 3.41Å; F153-N155 PolarHBondContact O-N 3.12Å; F153-G156 PolarHBondContact N-O 3.13Å; F153-G156 PolarHBondContact O-N 2.83Å; F153-F158 HydrophobicContact CB-CD2 4.26Å; F153-F158 HydrophobicContact CB-CE2 4.33Å; F153-F158 HydrophobicContact CD2-CB 4.36Å; F153-F158 AromaticContact CD2-CD2 3.71Å; F153-F158 HydrophobicContact CD2-CD2 3.71Å; F153-F158 HydrophobicContact CD2-CG 4.47Å; F153-F158 HydrophobicContact CE2-CB 4.36Å; F153-F158 HydrophobicContact CE2-CD2 4.46Å; F153-F158 HydrophobicContact CG-CD2 4.3Å |
| 154 | E | 90.2 | Very high | 91.1 | Very high | 196 Ų | 196 | 43.7 Ų | 43.7 | 92% | 0.916 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -30.3 | -179.9 | -63.1 | 173.5 | 174 | 0 | 0 | 113.8 | ||
| 155 | N | 88.3 | Confident | 92.4 | Very high | 76 Ų | 76 | 44 Ų | 44 | 41% | 0.406 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 13.3 | -175.4 | 71.1 | -44.6 | 0 | 0 | 0 | 114.7 | R116 F153 F158 | R116-N155 PolarHBondContact NE-OD1 3.23Å; R116-N155 PolarHBondContact NH2-OD1 2.85Å; F153-N155 PolarHBondContact O-N 3.12Å; N155-F158 WeakPolarHBondContact OD1-CE2 3.33Å |
| 156 | G | 91.9 | Very high | 92.8 | Very high | 19 Ų | 19 | 43 Ų | 43 | 20% | 0.196 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 136.6 | -172.4 | 174 | 0 | 0 | 0 | 0 | 0 | 114.6 | F153 F158 | F153-G156 PolarHBondContact N-O 3.13Å; F153-G156 PolarHBondContact O-N 2.83Å; G156-F158 WeakPolarHBondContact O-CD2 3.39Å; G156-F158 WeakPolarHBondContact O-CE2 3.47Å |
| 157 | N | 93.6 | Very high | 93 | Very high | 61 Ų | 61 | 42.7 Ų | 42.7 | 33% | 0.326 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 130.6 | 176.4 | -170.6 | 8.7 | 0 | 0 | 0 | 110.2 | G151 V159 | G151-N157 WeakPolarHBondContact O-CA 3.45Å; G151-N157 PolarHBondContact O-OD1 3.13Å; N157-V159 WeakPolarHBondContact OD1-CG2 3.36Å |
| 158 | F | 95.7 | Very high | 93.2 | Very high | 29 Ų | 29 | 38 Ų | 38 | 13% | 0.127 | 20% | 0.201 | C | C | . | . | trans | -134 | 75.1 | -175.9 | -59.9 | -86.8 | 0 | 0 | 0 | 110 | E114 S115 R116 G151 F153 N155 G156 H390 | E114-F158 WeakPolarHBondContact CA-O 3.44Å; S115-F158 PolarHBondContact N-O 2.82Å; S115-F158 PolarHBondContact OG-O 2.87Å; R116-F158 HydrophobicContact CB-CB 3.74Å; R116-F158 HydrophobicContact CB-CD1 4.23Å; R116-F158 HydrophobicContact CB-CD2 4.1Å; R116-F158 HydrophobicContact CB-CG 3.76Å; R116-F158 HydrophobicContact CG-CD1 4.37Å; R116-F158 HydrophobicContact CG-CD2 4.12Å; R116-F158 HydrophobicContact CG-CE2 4.38Å; R116-F158 HydrophobicContact CG-CG 4.11Å; G151-F158 PolarHBondContact O-N 3.41Å; F153-F158 HydrophobicContact CB-CD2 4.26Å; F153-F158 HydrophobicContact CB-CE2 4.33Å; F153-F158 HydrophobicContact CD2-CB 4.36Å; F153-F158 AromaticContact CD2-CD2 3.71Å; F153-F158 HydrophobicContact CD2-CD2 3.71Å; F153-F158 HydrophobicContact CD2-CG 4.47Å; F153-F158 HydrophobicContact CE2-CB 4.36Å; F153-F158 HydrophobicContact CE2-CD2 4.46Å; F153-F158 HydrophobicContact CG-CD2 4.3Å; N155-F158 WeakPolarHBondContact OD1-CE2 3.33Å; G156-F158 WeakPolarHBondContact O-CD2 3.39Å; G156-F158 WeakPolarHBondContact O-CE2 3.47Å; F158-H390 HydrophobicContact CD1-CB 3.71Å; F158-H390 AromaticContact CD1-CG 3.98Å; F158-H390 HydrophobicContact CE1-CB 4.18Å | ||
| 159 | V | 96 | Very high | 93.3 | Very high | 12 Ų | 12 | 37.3 Ų | 37.3 | 7% | 0.073 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 133.9 | 174.8 | 178.5 | 0 | 0 | 0 | 0 | 108 | L21 V24 A112 W113 F150 N157 H390 | L21-V159 HydrophobicContact CD2-CG1 4.15Å; V24-V159 HydrophobicContact CG1-CB 4.5Å; V24-V159 HydrophobicContact CG1-CG1 4.28Å; V24-V159 WeakPolarHBondContact CG1-O 3.2Å; V24-V159 HydrophobicContact CG2-CG1 4.04Å; A112-V159 HydrophobicContact CB-CG1 3.9Å; W113-V159 WeakPolarHBondContact O-CA 3.47Å; F150-V159 HydrophobicContact CD1-CG2 4.02Å; F150-V159 HydrophobicContact CE1-CG1 3.9Å; F150-V159 HydrophobicContact CE1-CG2 3.81Å; N157-V159 WeakPolarHBondContact OD1-CG2 3.36Å; V159-H390 PolarHBondContact O-CE1 2.98Å |
| 160 | Q | 95.1 | Very high | 93.4 | Very high | 10 Ų | 10 | 33.2 Ų | 33.2 | 5% | 0.047 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 145 | 170.4 | -170.7 | 73.4 | 37.3 | 0 | 0 | 109.1 | A112 W113 S115 Q389 H390 Q631 | A112-Q160 VanDerWaalsContact CA-O 3.31Å; A112-Q160 WeakPolarHBondContact CA-O 3.49Å; W113-Q160 PolarHBondContact N-O 3.49Å; W113-Q160 PolarHBondContact O-N 3.47Å; W113-Q160 VanDerWaalsContact O-N 3.12Å; S115-Q160 PolarHBondContact OG-N 3.32Å; Q160-Q389 HydrophobicContact CG-CG 4.49Å; Q160-H390 PolarHBondContact OE1-CE1 2.87Å; Q160-Q631 VanDerWaalsContact NE2-CB 3.25Å; Q160-Q631 VanDerWaalsContact NE2-OE1 3.11Å |
| 161 | R | 95.2 | Very high | 93.4 | Very high | 38 Ų | 38 | 33.1 Ų | 33.1 | 14% | 0.143 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.3 | 143.8 | 163.2 | -167.2 | -178.4 | -179.8 | -144.2 | -8.4 | 110.9 | I26 E169 | I26-R161 HydrophobicContact CD1-CG 3.83Å; I26-R161 HydrophobicContact CG1-CG 4.2Å; R161-E169 IonicContact CZ-OE2 3.02Å; R161-E169 IonicContact NH1-OE1 2.67Å; R161-E169 PolarHBondContact NH1-OE1 3.31Å; R161-E169 IonicContact NH1-OE2 3.04Å; R161-E169 PolarHBondContact NH1-OE2 3.49Å; R161-E169 IonicContact NH2-OE2 3.95Å; R161-E169 PolarHBondContact NH2-OE2 2.99Å |
| 162 | G | 95 | Very high | 93.5 | Very high | 9 Ų | 9 | 33.1 Ų | 33.1 | 9% | 0.093 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -62.2 | 165.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I110 L111 | I110-G162 WeakPolarHBondContact O-CA 3.31Å; L111-G162 PolarHBondContact O-N 3.31Å |
| 163 | W | 94.7 | Very high | 93.5 | Very high | 24 Ų | 24 | 31.2 Ų | 31.2 | 9% | 0.091 | 17% | 0.165 | C | C | . | . | P | Polyproline II helix | trans | -103.9 | 166.9 | 175 | 69.3 | 98.4 | 0 | 0 | 0 | 110.3 | I110 T165 P382 L384 L596 Q599 | I110-W163 HydrophobicContact CG1-CH2 4.39Å; W163-T165 HydrophobicContact CZ2-CG2 4.24Å; W163-T165 PolarHBondContact O-N 3.14Å; W163-P382 HydrophobicContact CZ2-CB 4.11Å; W163-L384 HydrophobicContact CH2-CD2 3.46Å; W163-L384 VanDerWaalsContact CH2-CD2 3.46Å; W163-L384 HydrophobicContact CZ3-CD2 3.59Å; W163-L596 WeakPolarHBondContact CB-O 3.24Å; W163-Q599 HydrophobicContact CD2-CB 3.93Å; W163-Q599 HydrophobicContact CE3-CB 3.53Å; W163-Q599 HydrophobicContact CE3-CG 4.27Å; W163-Q599 HydrophobicContact CH2-CB 4.27Å; W163-Q599 HydrophobicContact CH2-CG 4.1Å; W163-Q599 HydrophobicContact CZ2-CG 4.39Å; W163-Q599 HydrophobicContact CZ3-CB 3.72Å; W163-Q599 HydrophobicContact CZ3-CG 4.03Å |
| 164 | L | 94.5 | Very high | 93.5 | Very high | 15 Ų | 15 | 30.2 Ų | 30.2 | 8% | 0.079 | 16% | 0.16 | C | C | . | . | trans | -74.5 | 107.2 | -177.5 | -58.4 | 177.9 | 0 | 0 | 0 | 110.6 | N167 E169 I373 P375 L596 | L164-N167 WeakPolarHBondContact CD2-O 3.49Å; L164-E169 HydrophobicContact CD1-CB 4.26Å; L164-E169 HydrophobicContact CD2-CB 4.26Å; L164-I373 HydrophobicContact CD1-CB 4.02Å; L164-I373 HydrophobicContact CD1-CG2 3.55Å; L164-P375 HydrophobicContact CB-CG 4.42Å; L164-L596 HydrophobicContact CD1-CB 4.14Å; L164-L596 HydrophobicContact CG-CB 4.19Å; L164-L596 PolarHBondContact N-O 2.94Å | ||
| 165 | T | 89.6 | Confident | 93.2 | Very high | 56 Ų | 56 | 21.7 Ų | 21.7 | 34% | 0.344 | 12% | 0.122 | S | C | . | . | S | Bend | trans | -103.3 | -28.6 | 174.5 | 58.2 | 0 | 0 | 0 | 0 | 113.3 | L108 W163 | L108-T165 PolarHBondContact O-OG1 2.87Å; W163-T165 HydrophobicContact CZ2-CG2 4.24Å; W163-T165 PolarHBondContact O-N 3.14Å |
| 166 | S | 84.8 | Confident | 92.5 | Very high | 39 Ų | 39 | 20.1 Ų | 20.1 | 27% | 0.273 | 12% | 0.118 | S | C | . | . | S | Bend | trans | -146.4 | -39 | -170.2 | 48.3 | 0 | 0 | 0 | 0 | 113.5 | ||
| 167 | N | 89 | Confident | 91.6 | Very high | 18 Ų | 18 | 24 Ų | 24 | 10% | 0.096 | 14% | 0.138 | C | C | . | . | trans | -91.4 | 152.9 | 177.9 | -68.7 | 16 | 0 | 0 | 0 | 111.3 | L164 E300 P375 | L164-N167 WeakPolarHBondContact CD2-O 3.49Å; N167-E300 HydrophobicContact CB-CG 4.01Å; N167-E300 WeakPolarHBondContact CB-OE1 3.41Å; N167-E300 PolarHBondContact ND2-OE1 3.27Å; N167-P375 WeakPolarHBondContact O-CD 3.13Å; N167-P375 VanDerWaalsContact O-CG 3.31Å; N167-P375 WeakPolarHBondContact O-CG 3.49Å | ||
| 168 | S | 94.3 | Very high | 91 | Very high | 9 Ų | 9 | 21.5 Ų | 21.5 | 6% | 0.063 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 158.1 | 172 | -52.2 | 0 | 0 | 0 | 0 | 110.1 | E300 T301 I373 Y374 | S168-E300 WeakPolarHBondContact O-CA 3.06Å; S168-T301 PolarHBondContact N-O 2.77Å; S168-T301 PolarHBondContact O-N 2.82Å; S168-I373 CarbonylContact C-O 3.48Å; S168-I373 VanDerWaalsContact CA-O 3.22Å; S168-I373 WeakPolarHBondContact CA-O 3.37Å; S168-I373 WeakPolarHBondContact CB-O 3.2Å; S168-Y374 WeakPolarHBondContact OG-CD1 3.2Å |
| 169 | E | 95.6 | Very high | 90.6 | Very high | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.009 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 129.1 | 174.9 | -167.2 | 168.6 | 116.2 | 0 | 0 | 110.1 | R161 L164 H171 I299 I373 L596 | R161-E169 IonicContact CZ-OE2 3.02Å; R161-E169 IonicContact NH1-OE1 2.67Å; R161-E169 PolarHBondContact NH1-OE1 3.31Å; R161-E169 IonicContact NH1-OE2 3.04Å; R161-E169 PolarHBondContact NH1-OE2 3.49Å; R161-E169 IonicContact NH2-OE2 3.95Å; R161-E169 PolarHBondContact NH2-OE2 2.99Å; L164-E169 HydrophobicContact CD1-CB 4.26Å; L164-E169 HydrophobicContact CD2-CB 4.26Å; E169-H171 IonicContact OE1-CD2 3.61Å; E169-H171 IonicContact OE1-CE1 3.77Å; E169-H171 IonicContact OE1-NE2 3.77Å; E169-H171 PolarHBondContact OE1-NE2 2.93Å; E169-I299 CarbonylContact C-O 3.57Å; E169-I299 WeakPolarHBondContact CA-O 3.19Å; E169-I373 PolarHBondContact N-O 2.97Å; E169-I373 PolarHBondContact O-N 3.23Å; E169-L596 WeakPolarHBondContact OE1-CD1 3.43Å |
| 170 | I | 96.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 122.1 | 175.9 | -50.7 | 174.5 | 0 | 0 | 0 | 107.8 | I172 I299 T301 V304 T307 F344 L371 I372 | I170-I172 HydrophobicContact CG2-CD1 4.44Å; I170-I172 HydrophobicContact CG2-CG1 4.04Å; I170-I299 HydrophobicContact CB-CB 4.2Å; I170-I299 PolarHBondContact N-O 2.96Å; I170-I299 WeakPolarHBondContact O-CD1 3.17Å; I170-I299 PolarHBondContact O-N 3.41Å; I170-T301 HydrophobicContact CD1-CG2 3.95Å; I170-T301 HydrophobicContact CG1-CG2 4.31Å; I170-V304 HydrophobicContact CD1-CG1 4.36Å; I170-T307 HydrophobicContact CD1-CG2 3.88Å; I170-F344 HydrophobicContact CD1-CD2 4.41Å; I170-F344 HydrophobicContact CD1-CE2 4.46Å; I170-F344 HydrophobicContact CG2-CE2 4.22Å; I170-L371 CarbonylContact C-O 3.54Å; I170-L371 WeakPolarHBondContact CA-O 3.49Å; I170-I372 HydrophobicContact CG1-CG1 4.28Å; I170-I372 HydrophobicContact CG1-CG2 4.41Å; I170-I372 HydrophobicContact CG2-CG1 4.28Å |
| 171 | H | 97.3 | Very high | 90.1 | Very high | 8 Ų | 8 | 26 Ų | 26 | 4% | 0.037 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 129.1 | 172.1 | -69.1 | -157.8 | 0 | 0 | 0 | 108.4 | E169 T296 F297 F298 Y370 L371 V592 H630 | E169-H171 IonicContact OE1-CD2 3.61Å; E169-H171 IonicContact OE1-CE1 3.77Å; E169-H171 IonicContact OE1-NE2 3.77Å; E169-H171 PolarHBondContact OE1-NE2 2.93Å; H171-T296 HydrophobicContact CB-CG2 4.21Å; H171-F297 WeakPolarHBondContact CA-O 3.32Å; H171-F298 AromaticContact CD2-CD1 3.72Å; H171-F298 AromaticContact CE1-CD1 3.73Å; H171-F298 AromaticContact CE1-CE1 3.49Å; H171-F298 VanDerWaalsContact CE1-CE1 3.49Å; H171-F298 WeakPolarHBondContact CE1-CE1 3.46Å; H171-F298 AromaticContact ND1-CE1 3.77Å; H171-F298 AromaticContact NE2-CD1 3.47Å; H171-F298 WeakPolarHBondContact NE2-CD1 3.31Å; H171-F298 AromaticContact NE2-CE1 3.75Å; H171-Y370 CarbonylContact O-C 3.58Å; H171-Y370 WeakPolarHBondContact O-CA 3.37Å; H171-L371 HydrophobicContact CB-CB 4.35Å; H171-L371 PolarHBondContact N-O 3.49Å; H171-L371 PolarHBondContact O-N 3Å; H171-V592 WeakPolarHBondContact CE1-CG1 3.24Å; H171-H630 AromaticContact CE1-CE1 3.86Å |
| 172 | I | 96.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 113.8 | 174 | -58.2 | 177.4 | 0 | 0 | 0 | 107.8 | I170 T296 F297 I299 V309 I311 F344 V368 | I170-I172 HydrophobicContact CG2-CD1 4.44Å; I170-I172 HydrophobicContact CG2-CG1 4.04Å; I172-T296 CarbonylContact O-C 3.55Å; I172-T296 WeakPolarHBondContact O-CA 3.37Å; I172-F297 HydrophobicContact CB-CB 4.39Å; I172-F297 HydrophobicContact CB-CD2 4.47Å; I172-F297 PolarHBondContact N-O 3.25Å; I172-F297 WeakPolarHBondContact O-CD2 3.42Å; I172-F297 PolarHBondContact O-N 3.08Å; I172-I299 HydrophobicContact CB-CD1 4.49Å; I172-I299 HydrophobicContact CD1-CD1 3.76Å; I172-I299 HydrophobicContact CG1-CD1 3.95Å; I172-V309 HydrophobicContact CD1-CB 4.01Å; I172-V309 HydrophobicContact CD1-CG1 3.61Å; I172-V309 HydrophobicContact CD1-CG2 3.23Å; I172-I311 HydrophobicContact CG2-CD1 4.09Å; I172-F344 HydrophobicContact CD1-CE2 4.3Å; I172-F344 HydrophobicContact CD1-CZ 3.66Å; I172-F344 HydrophobicContact CG1-CZ 4.28Å; I172-V368 HydrophobicContact CG2-CB 3.85Å; I172-V368 HydrophobicContact CG2-CG1 3.97Å; I172-V368 HydrophobicContact CG2-CG2 4.09Å |
| 173 | R | 95.6 | Very high | 89.3 | Confident | 12 Ų | 12 | 36 Ų | 36 | 5% | 0.045 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 126.4 | -172.5 | -177.4 | 173.4 | 161.7 | -139.7 | 3.2 | 111.8 | D294 V295 V368 R369 D614 T615 | R173-D294 WeakPolarHBondContact CD-OD1 3Å; R173-D294 WeakPolarHBondContact CG-OD1 3.01Å; R173-D294 IonicContact CZ-OD1 2.71Å; R173-D294 IonicContact CZ-OD2 3.55Å; R173-D294 VanDerWaalsContact CZ-OD2 3.22Å; R173-D294 VanDerWaalsContact NE-CG 3.28Å; R173-D294 IonicContact NE-OD1 3.28Å; R173-D294 PolarHBondContact NE-OD1 3.46Å; R173-D294 IonicContact NE-OD2 3.84Å; R173-D294 PolarHBondContact NE-OD2 3.31Å; R173-D294 IonicContact NH2-OD1 3.89Å; R173-D294 IonicContact NH2-OD2 2.77Å; R173-D294 PolarHBondContact NH2-OD2 3.38Å; R173-V295 CarbonylContact C-O 3.58Å; R173-V295 WeakPolarHBondContact CA-O 3.44Å; R173-V368 WeakPolarHBondContact O-CA 3.41Å; R173-R369 PolarHBondContact N-O 3.38Å; R173-R369 PolarHBondContact O-N 2.99Å; R173-D614 IonicContact CZ-OD1 3.07Å; R173-D614 VanDerWaalsContact CZ-OD1 3.23Å; R173-D614 IonicContact CZ-OD2 2.79Å; R173-D614 IonicContact NH1-OD1 2.66Å; R173-D614 PolarHBondContact NH1-OD1 3.33Å; R173-D614 IonicContact NH1-OD2 2.71Å; R173-D614 PolarHBondContact NH1-OD2 3.37Å; R173-D614 IonicContact NH2-OD1 2.76Å; R173-D614 PolarHBondContact NH2-OD1 3.39Å; R173-T615 PolarHBondContact NH2-OG1 2.9Å |
| 174 | M | 94.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 105.7 | 166.1 | -65.9 | 174.3 | 48.2 | 0 | 0 | 108 | C179 V195 Y289 D294 V295 F297 I311 F313 L366 V368 | M174-C179 HydrophobicContact CE-CB 4.36Å; M174-V195 HydrophobicContact CE-CG2 4.24Å; M174-V195 HydrophobicContact SD-CG2 3.97Å; M174-Y289 HydrophobicContact CE-CD2 4.45Å; M174-Y289 HydrophobicContact CE-CE1 4.32Å; M174-Y289 HydrophobicContact CE-CE2 3.82Å; M174-D294 CarbonylContact O-C 3.51Å; M174-D294 VanDerWaalsContact O-CA 3.26Å; M174-D294 WeakPolarHBondContact O-CA 3.4Å; M174-V295 HydrophobicContact CB-CB 4.45Å; M174-V295 PolarHBondContact N-O 2.73Å; M174-V295 PolarHBondContact O-N 2.99Å; M174-F297 HydrophobicContact CG-CE2 4.28Å; M174-F297 HydrophobicContact SD-CE2 3.73Å; M174-F297 HydrophobicContact SD-CZ 4.21Å; M174-I311 HydrophobicContact CG-CD1 4.4Å; M174-I311 HydrophobicContact SD-CD1 4.16Å; M174-I311 HydrophobicContact SD-CG2 3.93Å; M174-F313 HydrophobicContact CE-CE1 3.93Å; M174-F313 HydrophobicContact CE-CZ 3.75Å; M174-F313 HydrophobicContact SD-CZ 4.45Å; M174-L366 HydrophobicContact CE-CD1 3.83Å; M174-L366 HydrophobicContact CG-CD1 4.14Å; M174-L366 HydrophobicContact SD-CD1 4.16Å; M174-L366 HydrophobicContact SD-CD2 4.46Å; M174-V368 HydrophobicContact CG-CG1 4.14Å |
| 175 | S | 85.3 | Confident | 87.3 | Confident | 17 Ų | 17 | 46.1 Ų | 46.1 | 12% | 0.119 | 24% | 0.242 | C | C | . | . | trans | -76.8 | 170.7 | 172.8 | 70.4 | 0 | 0 | 0 | 0 | 112 | T177 S178 | S175-T177 PolarHBondContact O-N 3.31Å; S175-S178 PolarHBondContact N-OG 3.11Å; S175-S178 WeakPolarHBondContact O-CB 3.48Å; S175-S178 PolarHBondContact O-N 3.15Å; S175-S178 PolarHBondContact O-OG 2.81Å; S175-S178 VanDerWaalsContact O-OG 3.12Å; S175-S178 PolarHBondContact OG-OG 3.02Å | ||
| 176 | S | 73.6 | Confident | 86.7 | Confident | 44 Ų | 44 | 44 Ų | 44 | 31% | 0.308 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -26.9 | -178.1 | 61.3 | 0 | 0 | 0 | 0 | 116.2 | G292 | S176-G292 VanDerWaalsContact CA-O 3.25Å; S176-G292 WeakPolarHBondContact CA-O 3.37Å; S176-G292 WeakPolarHBondContact CB-O 3.44Å; S176-G292 WeakPolarHBondContact O-CA 3.39Å |
| 177 | T | 72.1 | Confident | 86.3 | Confident | 101 Ų | 101 | 45.5 Ų | 45.5 | 62% | 0.62 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105 | 10.6 | -178.8 | 56.3 | 0 | 0 | 0 | 0 | 113.9 | S175 | S175-T177 PolarHBondContact O-N 3.31Š|
| 178 | S | 80.4 | Confident | 85.8 | Confident | 8 Ų | 8 | 46.9 Ų | 46.9 | 6% | 0.056 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -79.3 | -27.6 | -168.1 | -75.6 | 0 | 0 | 0 | 0 | 115 | S175 L366 R367 | S175-S178 PolarHBondContact N-OG 3.11Å; S175-S178 WeakPolarHBondContact O-CB 3.48Å; S175-S178 PolarHBondContact O-N 3.15Å; S175-S178 PolarHBondContact O-OG 2.81Å; S175-S178 VanDerWaalsContact O-OG 3.12Å; S175-S178 PolarHBondContact OG-OG 3.02Å; S178-L366 WeakPolarHBondContact O-CA 3.23Å; S178-R367 WeakPolarHBondContact CB-O 3.34Å; S178-R367 PolarHBondContact O-N 2.91Å; S178-R367 PolarHBondContact OG-O 2.82Å |
| 179 | C | 88.5 | Confident | 85.1 | Confident | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.034 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 128.8 | -170.9 | -172.3 | 0 | 0 | 0 | 0 | 111.8 | M174 F181 Y289 L366 | M174-C179 HydrophobicContact CE-CB 4.36Å; C179-F181 VanDerWaalsContact SG-CE2 3.52Å; C179-Y289 HydrophobicContact CB-CE1 4.26Å; C179-Y289 WeakPolarHBondContact CB-OH 3.39Å; C179-L366 HydrophobicContact CB-CD1 3.95Å |
| 180 | K | 89 | Confident | 84.5 | Confident | 119 Ų | 119 | 57 Ų | 57 | 52% | 0.517 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 113.2 | 177.6 | -61.2 | -176.5 | -178.1 | -176.6 | 0 | 110.4 | G364 D365 | K180-G364 CarbonylContact O-C 3.59Å; K180-G364 WeakPolarHBondContact O-CA 3.2Å; K180-D365 PolarHBondContact N-O 2.84Å; K180-D365 PolarHBondContact O-N 2.89Å |
| 181 | F | 90 | Very high | 84.1 | Confident | 21 Ų | 21 | 57.8 Ų | 57.8 | 9% | 0.092 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 139.5 | 170.5 | -68.8 | -84.1 | 0 | 0 | 0 | 110.8 | C179 K183 V186 F187 L193 F313 I336 I355 V363 | C179-F181 VanDerWaalsContact SG-CE2 3.52Å; F181-K183 PolarHBondContact O-N 2.83Å; F181-V186 HydrophobicContact CB-CB 4.35Å; F181-V186 HydrophobicContact CB-CG2 3.88Å; F181-V186 HydrophobicContact CD1-CG1 4.45Å; F181-V186 HydrophobicContact CD1-CG2 3.99Å; F181-V186 HydrophobicContact CD2-CB 4.29Å; F181-V186 HydrophobicContact CD2-CG1 3.95Å; F181-V186 HydrophobicContact CD2-CG2 4.42Å; F181-V186 HydrophobicContact CE2-CG1 4.02Å; F181-V186 HydrophobicContact CG-CB 4.19Å; F181-V186 HydrophobicContact CG-CG1 4.17Å; F181-V186 HydrophobicContact CG-CG2 3.84Å; F181-V186 HydrophobicContact CZ-CG1 4.31Å; F181-F187 AromaticContact CD2-CE2 3.76Å; F181-F187 HydrophobicContact CD2-CE2 3.76Å; F181-F187 HydrophobicContact CD2-CZ 4.13Å; F181-F187 HydrophobicContact CE2-CE2 4.3Å; F181-F187 HydrophobicContact CE2-CZ 4.2Å; F181-L193 HydrophobicContact CE2-CD2 3.99Å; F181-L193 HydrophobicContact CZ-CD2 4.49Å; F181-F313 HydrophobicContact CE2-CD1 4.41Å; F181-F313 HydrophobicContact CZ-CB 4.08Å; F181-F313 AromaticContact CZ-CD1 3.85Å; F181-F313 HydrophobicContact CZ-CD1 3.85Å; F181-F313 HydrophobicContact CZ-CD2 4.12Å; F181-F313 HydrophobicContact CZ-CE1 4.3Å; F181-F313 AromaticContact CZ-CG 3.75Å; F181-F313 HydrophobicContact CZ-CG 3.75Å; F181-I336 HydrophobicContact CD1-CG2 4.24Å; F181-I336 HydrophobicContact CE1-CG2 3.69Å; F181-I336 HydrophobicContact CZ-CG2 4.45Å; F181-I355 HydrophobicContact CD1-CD1 4.3Å; F181-I355 HydrophobicContact CE1-CD1 3.8Å; F181-I355 HydrophobicContact CE1-CG2 4.25Å; F181-I355 HydrophobicContact CZ-CD1 3.97Å; F181-V363 CarbonylContact C-O 3.51Å; F181-V363 WeakPolarHBondContact CA-O 3.26Å |
| 182 | F | 90.4 | Very high | 83.8 | Confident | 108 Ų | 108 | 60.4 Ų | 60.4 | 47% | 0.474 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -72 | -19 | -179.6 | -58.7 | -28.3 | 0 | 0 | 0 | 113.3 | P362 V363 D365 | F182-P362 HydrophobicContact CE2-CB 3.99Å; F182-V363 PolarHBondContact N-O 3.45Å; F182-D365 WeakPolarHBondContact CE1-OD2 3.02Å |
| 183 | K | 84.8 | Confident | 83.6 | Confident | 149 Ų | 149 | 60.8 Ų | 60.8 | 65% | 0.648 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -112.5 | 131.8 | 174.6 | -62 | -176.6 | 178.5 | 178.1 | 0 | 109.8 | F181 N185 | F181-K183 PolarHBondContact O-N 2.83Å; K183-N185 WeakPolarHBondContact CB-OD1 3.28Å; K183-N185 PolarHBondContact O-N 2.99Å |
| 184 | N | 72.4 | Confident | 83.6 | Confident | 148 Ų | 148 | 60.5 Ų | 60.5 | 79% | 0.791 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -72.5 | -11.5 | -179.2 | -64.9 | -11 | 0 | 0 | 0 | 113.7 | V186 | N184-V186 PolarHBondContact O-N 2.84Š|
| 185 | N | 74.6 | Confident | 83.6 | Confident | 104 Ų | 104 | 60.5 Ų | 60.5 | 56% | 0.556 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -79.4 | 5.1 | -177.1 | 71 | -27.7 | 0 | 0 | 0 | 114.3 | K183 T188 Q315 | K183-N185 WeakPolarHBondContact CB-OD1 3.28Å; K183-N185 PolarHBondContact O-N 2.99Å; N185-T188 WeakPolarHBondContact O-CG2 3.21Å; N185-Q315 PolarHBondContact O-NE2 2.97Å |
| 186 | V | 75.3 | Confident | 84.2 | Confident | 10 Ų | 10 | 59.8 Ų | 59.8 | 6% | 0.061 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -74.6 | -38.6 | 172.3 | -178.1 | 0 | 0 | 0 | 0 | 110.4 | F181 N184 T191 L193 Q315 | F181-V186 HydrophobicContact CB-CB 4.35Å; F181-V186 HydrophobicContact CB-CG2 3.88Å; F181-V186 HydrophobicContact CD1-CG1 4.45Å; F181-V186 HydrophobicContact CD1-CG2 3.99Å; F181-V186 HydrophobicContact CD2-CB 4.29Å; F181-V186 HydrophobicContact CD2-CG1 3.95Å; F181-V186 HydrophobicContact CD2-CG2 4.42Å; F181-V186 HydrophobicContact CE2-CG1 4.02Å; F181-V186 HydrophobicContact CG-CB 4.19Å; F181-V186 HydrophobicContact CG-CG1 4.17Å; F181-V186 HydrophobicContact CG-CG2 3.84Å; F181-V186 HydrophobicContact CZ-CG1 4.31Å; N184-V186 PolarHBondContact O-N 2.84Å; V186-T191 PolarHBondContact O-OG1 3.25Å; V186-L193 HydrophobicContact CG1-CD1 3.91Å; V186-L193 HydrophobicContact CG1-CD2 4.07Å; V186-Q315 PolarHBondContact O-NE2 3.33Å |
| 187 | F | 77.1 | Confident | 85.2 | Confident | 72 Ų | 72 | 57.9 Ų | 57.9 | 32% | 0.316 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -102.6 | 82.4 | 178.5 | -60 | -79.8 | 0 | 0 | 0 | 110 | F181 L193 Y289 L291 | F181-F187 AromaticContact CD2-CE2 3.76Å; F181-F187 HydrophobicContact CD2-CE2 3.76Å; F181-F187 HydrophobicContact CD2-CZ 4.13Å; F181-F187 HydrophobicContact CE2-CE2 4.3Å; F181-F187 HydrophobicContact CE2-CZ 4.2Å; F187-L193 HydrophobicContact CD1-CD2 4.33Å; F187-L193 HydrophobicContact CE1-CD2 3.47Å; F187-L193 VanDerWaalsContact CE1-CD2 3.47Å; F187-L193 HydrophobicContact CZ-CD2 3.65Å; F187-Y289 HydrophobicContact CZ-CE1 4.48Å; F187-L291 HydrophobicContact CD1-CB 4.12Å; F187-L291 HydrophobicContact CE1-CB 3.76Å; F187-L291 HydrophobicContact CE2-CB 4.32Å; F187-L291 HydrophobicContact CE2-CD1 3.92Å; F187-L291 HydrophobicContact CE2-CD2 4.48Å; F187-L291 HydrophobicContact CE2-CG 4.47Å; F187-L291 HydrophobicContact CZ-CB 3.87Å; F187-L291 HydrophobicContact CZ-CD1 3.82Å; F187-L291 HydrophobicContact CZ-CG 4.36Å |
| 188 | T | 79.1 | Confident | 86.2 | Confident | 46 Ų | 46 | 53.7 Ų | 53.7 | 28% | 0.282 | 27% | 0.271 | S | S | . | . | trans | -107.7 | 152.4 | 172.2 | 72.5 | 0 | 0 | 0 | 0 | 111 | N185 H190 T191 | N185-T188 WeakPolarHBondContact O-CG2 3.21Å; T188-H190 PolarHBondContact O-N 2.91Å; T188-T191 PolarHBondContact N-OG1 2.87Å; T188-T191 PolarHBondContact O-N 3.44Å; T188-T191 PolarHBondContact O-OG1 2.8Å; T188-T191 WeakPolarHBondContact OG1-CB 3.25Å; T188-T191 WeakPolarHBondContact OG1-CG2 3.44Å; T188-T191 PolarHBondContact OG1-OG1 2.97Å | ||
| 189 | P | 79 | Confident | 86.6 | Confident | 118 Ų | 118 | 54.8 Ų | 54.8 | 77% | 0.766 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -21.8 | 178.1 | -26.3 | 35 | 0 | 0 | 0 | 114.4 | ||
| 190 | H | 83.8 | Confident | 86.5 | Confident | 107 Ų | 107 | 56.4 Ų | 56.4 | 50% | 0.495 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 20.4 | -179.4 | -51.8 | -61.3 | 0 | 0 | 0 | 112.5 | T188 H317 L318 | T188-H190 PolarHBondContact O-N 2.91Å; H190-H317 CarbonylContact O-C 3.51Å; H190-H317 WeakPolarHBondContact O-CA 3.16Å; H190-L318 PolarHBondContact O-N 3.18Å |
| 191 | T | 87.4 | Confident | 86 | Confident | 17 Ų | 17 | 52.5 Ų | 52.5 | 10% | 0.104 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 139.4 | -179.5 | 53.4 | 0 | 0 | 0 | 0 | 111.4 | V186 T188 Q315 Q316 H317 | V186-T191 PolarHBondContact O-OG1 3.25Å; T188-T191 PolarHBondContact N-OG1 2.87Å; T188-T191 PolarHBondContact O-N 3.44Å; T188-T191 PolarHBondContact O-OG1 2.8Å; T188-T191 WeakPolarHBondContact OG1-CB 3.25Å; T188-T191 WeakPolarHBondContact OG1-CG2 3.44Å; T188-T191 PolarHBondContact OG1-OG1 2.97Å; T191-Q315 HydrophobicContact CG2-CG 3.97Å; T191-Q316 CarbonylContact C-O 3.53Å; T191-Q316 VanDerWaalsContact CA-O 3.23Å; T191-Q316 WeakPolarHBondContact CA-O 3.32Å; T191-H317 WeakPolarHBondContact CG2-CE1 3.43Å; T191-H317 VanDerWaalsContact CG2-ND1 3.26Å; T191-H317 WeakPolarHBondContact CG2-ND1 3.43Å |
| 192 | Q | 91.3 | Very high | 85.3 | Confident | 63 Ų | 63 | 54 Ų | 54 | 29% | 0.294 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 140.1 | 165.6 | -69.4 | 179.4 | -23.2 | 0 | 0 | 109 | F194 L288 Q315 Q316 L318 | Q192-F194 HydrophobicContact CB-CE2 3.8Å; Q192-F194 HydrophobicContact CB-CZ 4.02Å; Q192-L288 HydrophobicContact CB-CD1 3.91Å; Q192-L288 HydrophobicContact CG-CD1 4.11Å; Q192-Q315 CarbonylContact O-C 3.56Å; Q192-Q315 WeakPolarHBondContact O-CA 3.24Å; Q192-Q316 PolarHBondContact N-O 2.84Å; Q192-Q316 PolarHBondContact O-N 3.49Å; Q192-L318 HydrophobicContact CG-CD1 3.97Å; Q192-L318 HydrophobicContact CG-CD2 4.1Å; Q192-L318 HydrophobicContact CG-CG 4.1Å |
| 193 | L | 92.4 | Very high | 84.2 | Confident | 7 Ų | 7 | 55.3 Ų | 55.3 | 4% | 0.037 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 136.2 | 176 | -176.4 | 70.2 | 0 | 0 | 0 | 108 | F181 V186 F187 Y289 F313 Y314 I336 | F181-L193 HydrophobicContact CE2-CD2 3.99Å; F181-L193 HydrophobicContact CZ-CD2 4.49Å; V186-L193 HydrophobicContact CG1-CD1 3.91Å; V186-L193 HydrophobicContact CG1-CD2 4.07Å; F187-L193 HydrophobicContact CD1-CD2 4.33Å; F187-L193 HydrophobicContact CE1-CD2 3.47Å; F187-L193 VanDerWaalsContact CE1-CD2 3.47Å; F187-L193 HydrophobicContact CZ-CD2 3.65Å; L193-Y289 HydrophobicContact CD2-CD1 3.67Å; L193-Y289 HydrophobicContact CD2-CE1 4.35Å; L193-Y289 HydrophobicContact CG-CD1 4.35Å; L193-Y289 PolarHBondContact O-N 3.43Å; L193-F313 HydrophobicContact CD1-CB 4.32Å; L193-F313 HydrophobicContact CD2-CD1 4.43Å; L193-Y314 CarbonylContact C-O 3.56Å; L193-Y314 WeakPolarHBondContact CA-O 3.39Å; L193-Y314 WeakPolarHBondContact CD1-O 3.38Å; L193-I336 HydrophobicContact CD1-CG1 4.49Å |
| 194 | F | 94.7 | Very high | 82.8 | Confident | 7 Ų | 7 | 53.4 Ų | 53.4 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 140.1 | 177.2 | -62.3 | -83.2 | 0 | 0 | 0 | 109.6 | Q192 Q281 T287 L288 F313 Y314 Q316 L333 | Q192-F194 HydrophobicContact CB-CE2 3.8Å; Q192-F194 HydrophobicContact CB-CZ 4.02Å; F194-Q281 HydrophobicContact CD1-CB 4.23Å; F194-Q281 HydrophobicContact CD1-CG 3.2Å; F194-Q281 HydrophobicContact CD2-CG 3.96Å; F194-Q281 HydrophobicContact CE1-CG 3.16Å; F194-Q281 HydrophobicContact CE2-CG 3.89Å; F194-Q281 HydrophobicContact CG-CG 3.63Å; F194-Q281 HydrophobicContact CZ-CG 3.53Å; F194-T287 CarbonylContact C-O 3.5Å; F194-T287 WeakPolarHBondContact CA-O 3.43Å; F194-L288 HydrophobicContact CD1-CB 4.29Å; F194-L288 HydrophobicContact CE1-CB 4Å; F194-L288 HydrophobicContact CE1-CD1 3.96Å; F194-L288 HydrophobicContact CZ-CD1 4.15Å; F194-F313 WeakPolarHBondContact O-CA 3.46Å; F194-Y314 PolarHBondContact N-O 2.69Å; F194-Y314 PolarHBondContact O-N 3.29Å; F194-Q316 HydrophobicContact CE2-CB 4.02Å; F194-L333 HydrophobicContact CD2-CD1 3.83Å; F194-L333 HydrophobicContact CE2-CD1 4.33Å |
| 195 | V | 95.4 | Very high | 81.4 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 129.9 | 173.6 | 69.7 | 0 | 0 | 0 | 0 | 109.3 | M174 G286 T287 Y289 V295 F297 I311 Q312 F313 | M174-V195 HydrophobicContact CE-CG2 4.24Å; M174-V195 HydrophobicContact SD-CG2 3.97Å; V195-G286 CarbonylContact O-C 3.56Å; V195-G286 WeakPolarHBondContact O-CA 3.44Å; V195-T287 HydrophobicContact CG1-CG2 3.9Å; V195-T287 PolarHBondContact N-O 3.24Å; V195-T287 PolarHBondContact O-N 2.98Å; V195-Y289 HydrophobicContact CB-CG 4.29Å; V195-Y289 HydrophobicContact CG1-CD2 4.17Å; V195-Y289 HydrophobicContact CG1-CG 4.18Å; V195-V295 HydrophobicContact CG1-CG1 4.21Å; V195-V295 HydrophobicContact CG1-CG2 4.27Å; V195-F297 HydrophobicContact CG1-CZ 4.17Å; V195-F297 HydrophobicContact CG2-CZ 3.84Å; V195-I311 HydrophobicContact CG2-CG2 3.57Å; V195-Q312 WeakPolarHBondContact CA-O 3.42Å; V195-F313 HydrophobicContact CB-CD1 4.26Å; V195-F313 HydrophobicContact CB-CE1 4.13Å; V195-F313 HydrophobicContact CG2-CD1 4.11Å; V195-F313 HydrophobicContact CG2-CE1 3.71Å; V195-F313 HydrophobicContact CG2-CZ 4.09Å |
| 196 | A | 95.9 | Very high | 79.9 | Confident | 2 Ų | 2 | 51.6 Ų | 51.6 | 2% | 0.017 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 158.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | C284 I311 Q312 Y314 | A196-C284 WeakPolarHBondContact CB-O 3.05Å; A196-I311 CarbonylContact O-C 3.53Å; A196-I311 WeakPolarHBondContact O-CA 3.41Å; A196-Q312 PolarHBondContact N-O 3.48Å; A196-Q312 PolarHBondContact O-N 2.88Å; A196-Y314 HydrophobicContact CB-CE2 4.24Å |
| 197 | C | 95.5 | Very high | 78.2 | Confident | 3 Ų | 3 | 58.1 Ų | 58.1 | 2% | 0.02 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 133.2 | 174.1 | 179.1 | 0 | 0 | 0 | 0 | 109.7 | V264 F297 E310 I311 | C197-V264 HydrophobicContact CB-CB 4Å; C197-V264 HydrophobicContact CB-CG2 4.4Å; C197-V264 WeakPolarHBondContact O-CB 3.48Å; C197-V264 WeakPolarHBondContact O-CG2 3.5Å; C197-V264 PolarHBondContact O-N 3.38Å; C197-F297 HydrophobicContact CB-CB 4.27Å; C197-F297 HydrophobicContact CB-CD1 3.28Å; C197-F297 HydrophobicContact CB-CD2 4.14Å; C197-F297 HydrophobicContact CB-CE1 3.52Å; C197-F297 HydrophobicContact CB-CE2 4.33Å; C197-F297 HydrophobicContact CB-CG 3.63Å; C197-F297 HydrophobicContact CB-CZ 4.05Å; C197-E310 WeakPolarHBondContact CA-O 3.47Å; C197-I311 HydrophobicContact CB-CG1 4.48Å |
| 198 | S | 92.7 | Very high | 76.5 | Confident | 13 Ų | 13 | 61.5 Ų | 61.5 | 9% | 0.091 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 136.5 | 173.6 | -69.1 | 0 | 0 | 0 | 0 | 109.9 | Y200 Y262 V309 E310 | S198-Y200 VanDerWaalsContact CB-OH 3.22Å; S198-Y200 WeakPolarHBondContact CB-OH 3.13Å; S198-Y200 WeakPolarHBondContact O-CE2 3.36Å; S198-Y262 WeakPolarHBondContact CA-O 3.43Å; S198-V309 CarbonylContact O-C 3.45Å; S198-V309 VanDerWaalsContact O-CA 3.25Å; S198-V309 WeakPolarHBondContact O-CA 3.5Å; S198-E310 PolarHBondContact N-O 2.92Å; S198-E310 PolarHBondContact O-N 2.84Å |
| 199 | R | 89.9 | Confident | 74.6 | Confident | 32 Ų | 32 | 66.6 Ų | 66.6 | 12% | 0.121 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 149.9 | 171.5 | 76.2 | 177.8 | -170.4 | 98.8 | 11.4 | 111.5 | Y262 V264 I299 S308 | R199-Y262 HydrophobicContact CG-CD2 4.37Å; R199-Y262 PolarHBondContact N-O 3.34Å; R199-Y262 VanDerWaalsContact N-O 3.07Å; R199-Y262 PolarHBondContact O-N 2.8Å; R199-V264 HydrophobicContact CB-CG2 3.98Å; R199-V264 HydrophobicContact CG-CG2 4.47Å; R199-I299 HydrophobicContact CB-CG2 4.04Å; R199-S308 WeakPolarHBondContact CA-O 3.45Å |
| 200 | Y | 85.1 | Confident | 72.8 | Confident | 39 Ų | 39 | 68.7 Ų | 68.7 | 15% | 0.153 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 147.9 | 174.3 | -49.6 | -95.7 | 0 | 0 | 0 | 109.6 | S198 S259 S261 S308 E310 | S198-Y200 VanDerWaalsContact CB-OH 3.22Å; S198-Y200 WeakPolarHBondContact CB-OH 3.13Å; S198-Y200 WeakPolarHBondContact O-CE2 3.36Å; Y200-S259 WeakPolarHBondContact CA-OG 3.02Å; Y200-S261 VanDerWaalsContact CE1-CB 3.44Å; Y200-S308 PolarHBondContact N-O 2.82Å; Y200-S308 PolarHBondContact O-N 3.48Å; Y200-S308 VanDerWaalsContact O-O 3.13Å; Y200-E310 HydrophobicContact CE2-CB 3.68Å; Y200-E310 PolarHBondContact OH-OE2 3.44Å |
| 201 | V | 79.7 | Confident | 70.6 | Confident | 36 Ų | 36 | 71.7 Ų | 71.7 | 22% | 0.218 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 119.7 | 173.3 | -178 | 0 | 0 | 0 | 0 | 107.7 | Q203 S259 N306 | V201-Q203 PolarHBondContact O-N 2.85Å; V201-S259 PolarHBondContact N-OG 3.3Å; V201-N306 WeakPolarHBondContact CA-O 3.4Å; V201-N306 HydrophobicContact CG1-CB 3.92Å |
| 202 | L | 74.8 | Confident | 68.2 | Low | 53 Ų | 53 | 77.1 Ų | 77.1 | 28% | 0.277 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 117.1 | 179.1 | -62.5 | 175 | 0 | 0 | 0 | 109.3 | V257 N306 | L202-V257 HydrophobicContact CD2-CG2 4.05Å; L202-N306 HydrophobicContact CB-CB 4.45Å; L202-N306 PolarHBondContact N-O 3.43Å; L202-N306 WeakPolarHBondContact O-CB 3.36Å |
| 203 | Q | 66.5 | Low | 65.4 | Low | 136 Ų | 136 | 83.6 Ų | 83.6 | 64% | 0.636 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -82.5 | 131.3 | 170 | -73 | -175 | -13.1 | 0 | 0 | 109.6 | V201 M205 | V201-Q203 PolarHBondContact O-N 2.85Å; Q203-M205 PolarHBondContact O-N 2.87Å |
| 204 | P | 55.7 | Low | 62.7 | Low | 108 Ų | 108 | 89.1 Ų | 89.1 | 70% | 0.701 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 126.6 | 167.4 | -17.6 | 29.4 | 0 | 0 | 0 | 109.3 | ||
| 205 | M | 43.9 | Very low | 59.6 | Low | 116 Ų | 116 | 100.9 Ų | 100.9 | 57% | 0.571 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 135.6 | 168.1 | -71.1 | -70 | -63.5 | 0 | 0 | 108.5 | Q203 I207 | Q203-M205 PolarHBondContact O-N 2.87Å; M205-I207 PolarHBondContact O-N 2.74Å |
| 206 | P | 42 | Very low | 56.7 | Low | 98 Ų | 98 | 107.2 Ų | 107.2 | 64% | 0.636 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 125.1 | 162.4 | -16.2 | 28.2 | 0 | 0 | 0 | 107.9 | D208 | P206-D208 VanDerWaalsContact C-N 3.27Å; P206-D208 PolarHBondContact O-N 3.45Å |
| 207 | I | 40.2 | Very low | 53.7 | Low | 147 Ų | 147 | 112.6 Ų | 112.6 | 75% | 0.754 | 59% | 0.585 | S | S | * | * | trans | -73.5 | 95.9 | 164.3 | -59.8 | 171.7 | 0 | 0 | 0 | 104.1 | M205 D209 | M205-I207 PolarHBondContact O-N 2.74Å; I207-D209 VanDerWaalsContact C-N 3.34Å; I207-D209 PolarHBondContact O-N 2.87Å | ||
| 208 | D | 41.8 | Very low | 50.7 | Low | 143 Ų | 143 | 117.6 Ų | 117.6 | 77% | 0.765 | 62% | 0.618 | S | S | * | * | trans | -67.7 | 101.7 | 165.4 | -73.1 | -29.2 | 0 | 0 | 0 | 106.5 | P206 E210 | P206-D208 VanDerWaalsContact C-N 3.27Å; P206-D208 PolarHBondContact O-N 3.45Å; D208-E210 PolarHBondContact O-N 3.38Å | ||
| 209 | D | 38.6 | Very low | 47.9 | Very low | 153 Ų | 153 | 124.3 Ų | 124.3 | 82% | 0.818 | 65% | 0.653 | S | S | * | * | trans | -66.1 | 68.3 | 166 | -74.7 | -38.4 | 0 | 0 | 0 | 109.4 | I207 | I207-D209 VanDerWaalsContact C-N 3.34Å; I207-D209 PolarHBondContact O-N 2.87Å | ||
| 210 | E | 42 | Very low | 44.9 | Very low | 162 Ų | 162 | 132.4 Ų | 132.4 | 76% | 0.757 | 69% | 0.688 | S | S | * | * | trans | -139.2 | 95.9 | 161.4 | -77.9 | -153.3 | 170.7 | 0 | 0 | 111.3 | D208 N212 | D208-E210 PolarHBondContact O-N 3.38Å; E210-N212 PolarHBondContact O-N 3.19Å | ||
| 211 | D | 36.8 | Very low | 42.5 | Very low | 170 Ų | 170 | 136.3 Ų | 136.3 | 91% | 0.909 | 72% | 0.719 | S | S | * | * | trans | -53.3 | 99.7 | 155.6 | -78.4 | -41.7 | 0 | 0 | 0 | 109.8 | ||||
| 212 | N | 37.4 | Very low | 40 | Very low | 131 Ų | 131 | 143.9 Ų | 143.9 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | trans | -138.9 | 91.6 | 158.9 | -101.7 | -37.5 | 0 | 0 | 0 | 110.5 | E210 T214 | E210-N212 PolarHBondContact O-N 3.19Å; N212-T214 PolarHBondContact O-N 2.95Å | ||
| 213 | E | 31.9 | Very low | 37.5 | Very low | 199 Ų | 199 | 147 Ų | 147 | 93% | 0.93 | 78% | 0.777 | S | S | * | * | trans | -53.1 | 105.8 | 163.4 | -72 | -165.7 | 148.1 | 0 | 0 | 110.4 | ||||
| 214 | T | 35.9 | Very low | 35.8 | Very low | 124 Ų | 124 | 145.9 Ų | 145.9 | 76% | 0.761 | 78% | 0.784 | S | S | * | * | trans | -130.2 | 104.5 | 155.8 | 19.3 | 0 | 0 | 0 | 0 | 110.3 | N212 V216 | N212-T214 PolarHBondContact O-N 2.95Å; T214-V216 PolarHBondContact O-N 3.22Å | ||
| 215 | R | 30.5 | Very low | 34.4 | Very low | 254 Ų | 254 | 149.5 Ų | 149.5 | 96% | 0.958 | 79% | 0.791 | S | S | * | * | trans | -49.4 | 116 | 167.4 | -85.7 | 175.8 | 166.6 | 176.4 | -3 | 110.5 | ||||
| 216 | V | 33.3 | Very low | 33.7 | Very low | 133 Ų | 133 | 152.9 Ų | 152.9 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | trans | -119.1 | 115.4 | 159.5 | -177 | 0 | 0 | 0 | 0 | 108.6 | T214 | T214-V216 PolarHBondContact O-N 3.22Š| ||
| 217 | T | 32.6 | Very low | 33 | Very low | 115 Ų | 115 | 156.9 Ų | 156.9 | 71% | 0.706 | 81% | 0.813 | S | S | * | * | trans | -59.8 | 139.4 | 176.9 | 40.3 | 0 | 0 | 0 | 0 | 112.4 | N219 | T217-N219 PolarHBondContact O-N 3.17Š| ||
| 218 | P | 33.8 | Very low | 32.4 | Very low | 108 Ų | 108 | 156.8 Ų | 156.8 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | trans | -80.9 | 111.7 | 178.1 | 30.4 | -29.1 | 0 | 0 | 0 | 110.8 | ||||
| 219 | N | 33.7 | Very low | 31.6 | Very low | 154 Ų | 154 | 156.2 Ų | 156.2 | 82% | 0.824 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 137.3 | 161.6 | -81.3 | -24.2 | 0 | 0 | 0 | 110.1 | T217 | T217-N219 PolarHBondContact O-N 3.17Š|
| 220 | K | 27.6 | Very low | 31.1 | Very low | 201 Ų | 201 | 156.9 Ų | 156.9 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 128.1 | -176.1 | -156.9 | -178.5 | -168.9 | -176 | 0 | 111 | ||
| 221 | P | 32.9 | Very low | 30.4 | Very low | 122 Ų | 122 | 155.1 Ų | 155.1 | 79% | 0.792 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 128.6 | 166.9 | 6 | 12.6 | 0 | 0 | 0 | 110.4 | ||
| 222 | E | 28.2 | Very low | 29.9 | Very low | 195 Ų | 195 | 153.4 Ų | 153.4 | 91% | 0.911 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 136.8 | 170.6 | -72 | 174.6 | 147.2 | 0 | 0 | 111.2 | ||
| 223 | C | 23.3 | Very low | 29.4 | Very low | 118 Ų | 118 | 155.2 Ų | 155.2 | 80% | 0.797 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 119.5 | 174.4 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | ||
| 224 | S | 29.7 | Very low | 29.1 | Very low | 113 Ų | 113 | 152.8 Ų | 152.8 | 79% | 0.79 | 83% | 0.827 | S | S | * | * | trans | -119.8 | 114.2 | 159.9 | 49.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 225 | Q | 26 | Very low | 28.7 | Very low | 183 Ų | 183 | 150 Ų | 150 | 86% | 0.855 | 82% | 0.823 | S | S | * | * | trans | -69.7 | 124.1 | 172.4 | -67.9 | -179.4 | -34 | 0 | 0 | 108.8 | ||||
| 226 | K | 29.4 | Very low | 28.4 | Very low | 187 Ų | 187 | 144 Ų | 144 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | trans | -132.9 | 115.9 | 155.1 | -87.1 | -172.2 | 174.4 | -178.3 | 0 | 108.3 | D228 | K226-D228 PolarHBondContact O-N 3.48Š| ||
| 227 | E | 26.6 | Very low | 28.2 | Very low | 183 Ų | 183 | 142.6 Ų | 142.6 | 86% | 0.855 | 82% | 0.816 | S | S | * | * | trans | -68.5 | 114.4 | 166.3 | -67.7 | 171 | 147.7 | 0 | 0 | 107.7 | ||||
| 228 | D | 29.1 | Very low | 27.9 | Very low | 144 Ų | 144 | 143.3 Ų | 143.3 | 77% | 0.77 | 82% | 0.82 | S | S | * | * | trans | -101.7 | 99.7 | 171.2 | -78.2 | -24 | 0 | 0 | 0 | 109.3 | K226 | K226-D228 PolarHBondContact O-N 3.48Š| ||
| 229 | T | 24.9 | Very low | 27.5 | Very low | 131 Ų | 131 | 143.7 Ų | 143.7 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | -79.8 | 119.7 | 168.3 | -38.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 230 | L | 28.5 | Very low | 27.2 | Very low | 168 Ų | 168 | 145.9 Ų | 145.9 | 88% | 0.88 | 83% | 0.825 | S | S | * | * | trans | -106.3 | 113.5 | 177.7 | -100.3 | 149.3 | 0 | 0 | 0 | 111.4 | ||||
| 231 | T | 25.9 | Very low | 27.2 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 76% | 0.761 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 132.9 | 171.1 | 33.4 | 0 | 0 | 0 | 0 | 110.7 | ||
| 232 | C | 26.4 | Very low | 27 | Very low | 135 Ų | 135 | 141.6 Ų | 141.6 | 91% | 0.912 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 117.5 | 176.7 | -152.7 | 0 | 0 | 0 | 0 | 110.4 | ||
| 233 | L | 27.2 | Very low | 27 | Very low | 168 Ų | 168 | 135.6 Ų | 135.6 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 123.2 | 172.2 | -78.7 | 165.7 | 0 | 0 | 0 | 109.8 | G235 | L233-G235 PolarHBondContact O-N 2.83Š|
| 234 | T | 26.2 | Very low | 27.2 | Very low | 148 Ų | 148 | 134.6 Ų | 134.6 | 91% | 0.908 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 119.1 | 173.8 | 50.8 | 0 | 0 | 0 | 0 | 111 | ||
| 235 | G | 27.1 | Very low | 27.2 | Very low | 66 Ų | 66 | 138.5 Ų | 138.5 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | trans | -168.5 | 124.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L233 S237 | L233-G235 PolarHBondContact O-N 2.83Å; G235-S237 PolarHBondContact O-N 3.23Å; G235-S237 VanDerWaalsContact O-N 3.09Å | ||
| 236 | S | 24.9 | Very low | 27.4 | Very low | 129 Ų | 129 | 136 Ų | 136 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | trans | -53.2 | 106.4 | -175.8 | 59 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 237 | S | 28.9 | Very low | 27.4 | Very low | 103 Ų | 103 | 132.7 Ų | 132.7 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -171 | 142.9 | 152.5 | 49.9 | 0 | 0 | 0 | 0 | 107.2 | G235 | G235-S237 PolarHBondContact O-N 3.23Å; G235-S237 VanDerWaalsContact O-N 3.09Å |
| 238 | T | 26.2 | Very low | 27.5 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | trans | -42.5 | 121.2 | -179.8 | 34.6 | 0 | 0 | 0 | 0 | 111.9 | K240 | T238-K240 PolarHBondContact O-N 2.94Š| ||
| 239 | P | 24.8 | Very low | 27.4 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | trans | -72.1 | 107.1 | -179.1 | 26.7 | -28.8 | 0 | 0 | 0 | 108.2 | L241 | P239-L241 PolarHBondContact O-N 2.83Š| ||
| 240 | K | 27.5 | Very low | 27.7 | Very low | 200 Ų | 200 | 128.3 Ų | 128.3 | 87% | 0.87 | 76% | 0.755 | S | S | * | * | trans | -58.4 | 107.8 | 158.8 | -75 | -179.5 | 177.3 | 176.9 | 0 | 106.6 | T238 S242 | T238-K240 PolarHBondContact O-N 2.94Å; K240-S242 PolarHBondContact O-N 3.44Å | ||
| 241 | L | 27.8 | Very low | 27.5 | Very low | 126 Ų | 126 | 131.4 Ų | 131.4 | 66% | 0.66 | 76% | 0.755 | S | S | * | * | trans | -63.3 | 86.1 | 168.4 | -88.9 | 129.7 | 0 | 0 | 0 | 108.4 | P239 C243 | P239-L241 PolarHBondContact O-N 2.83Å; L241-C243 PolarHBondContact O-N 3.17Å | ||
| 242 | S | 27.6 | Very low | 27.7 | Very low | 108 Ų | 108 | 131.3 Ų | 131.3 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | trans | -76.1 | 101.9 | 159.3 | 54.5 | 0 | 0 | 0 | 0 | 107 | K240 | K240-S242 PolarHBondContact O-N 3.44Š| ||
| 243 | C | 29.5 | Very low | 27.8 | Very low | 69 Ų | 69 | 130.3 Ų | 130.3 | 47% | 0.466 | 75% | 0.749 | S | S | . | * | trans | -50.6 | 133.9 | 165.6 | -163.9 | 0 | 0 | 0 | 0 | 108.4 | L241 Q245 S261 | L241-C243 PolarHBondContact O-N 3.17Å; C243-Q245 PolarHBondContact O-N 2.76Å; C243-Q245 VanDerWaalsContact O-N 3.17Å; C243-S261 PolarHBondContact SG-OG 2.89Å; C243-S261 VanDerWaalsContact SG-OG 3.34Å | ||
| 244 | P | 27.5 | Very low | 27.9 | Very low | 97 Ų | 97 | 132.9 Ų | 132.9 | 63% | 0.63 | 75% | 0.748 | S | S | * | * | trans | -54.5 | 125.5 | 179.4 | -21.4 | 30.7 | 0 | 0 | 0 | 109.7 | Y246 | P244-Y246 PolarHBondContact O-N 3.13Š| ||
| 245 | Q | 29 | Very low | 28.3 | Very low | 194 Ų | 194 | 129 Ų | 129 | 91% | 0.907 | 73% | 0.727 | S | S | * | * | trans | -61.4 | 105.1 | 167.1 | -76.6 | -177.3 | -31.9 | 0 | 0 | 107.7 | C243 | C243-Q245 PolarHBondContact O-N 2.76Å; C243-Q245 VanDerWaalsContact O-N 3.17Å | ||
| 246 | Y | 30.8 | Very low | 28.5 | Very low | 130 Ų | 130 | 129.7 Ų | 129.7 | 51% | 0.51 | 72% | 0.721 | S | S | . | * | trans | -61.4 | 132.2 | 173.4 | -79.1 | -90.6 | 0 | 0 | 0 | 109.5 | P244 F248 | P244-Y246 PolarHBondContact O-N 3.13Å; Y246-F248 PolarHBondContact O-N 3.04Å | ||
| 247 | P | 28.4 | Very low | 29.2 | Very low | 118 Ų | 118 | 126 Ų | 126 | 77% | 0.766 | 69% | 0.694 | S | S | * | * | trans | -71.4 | 97.2 | 165.9 | 28.2 | -28.3 | 0 | 0 | 0 | 107.9 | S249 | P247-S249 VanDerWaalsContact C-N 3.28Å; P247-S249 PolarHBondContact O-N 2.9Å | ||
| 248 | F | 29.4 | Very low | 29.6 | Very low | 175 Ų | 175 | 126.5 Ų | 126.5 | 77% | 0.768 | 69% | 0.692 | S | S | * | * | trans | -63.4 | 93.2 | 163 | -110.3 | -88.5 | 0 | 0 | 0 | 108.1 | Y246 | Y246-F248 PolarHBondContact O-N 3.04Š| ||
| 249 | S | 26.4 | Very low | 30.8 | Very low | 112 Ų | 112 | 121.5 Ų | 121.5 | 78% | 0.783 | 66% | 0.662 | S | S | * | * | trans | -136 | 68.5 | 169 | 169.6 | 0 | 0 | 0 | 0 | 109.4 | P247 | P247-S249 VanDerWaalsContact C-N 3.28Å; P247-S249 PolarHBondContact O-N 2.9Å | ||
| 250 | S | 32.1 | Very low | 32.1 | Very low | 79 Ų | 79 | 123.1 Ų | 123.1 | 55% | 0.552 | 65% | 0.654 | S | S | * | * | trans | -152 | 116.8 | 145.2 | 58.4 | 0 | 0 | 0 | 0 | 109.4 | T252 | S250-T252 PolarHBondContact O-N 2.82Š| ||
| 251 | R | 25 | Very low | 33.8 | Very low | 234 Ų | 234 | 114.9 Ų | 114.9 | 88% | 0.883 | 62% | 0.621 | S | S | * | * | trans | -64.2 | 96.8 | 168.1 | -78.7 | 178.1 | 174 | -165.6 | -3.4 | 108.1 | ||||
| 252 | T | 30 | Very low | 36.1 | Very low | 122 Ų | 122 | 110 Ų | 110 | 75% | 0.748 | 59% | 0.594 | S | S | * | * | trans | -119.2 | 113.5 | 143.6 | 48.7 | 0 | 0 | 0 | 0 | 106 | S250 Y254 | S250-T252 PolarHBondContact O-N 2.82Å; T252-Y254 VanDerWaalsContact C-N 3.27Å; T252-Y254 PolarHBondContact O-N 3.1Å | ||
| 253 | S | 27.2 | Very low | 38.7 | Very low | 113 Ų | 113 | 107.8 Ų | 107.8 | 79% | 0.79 | 58% | 0.577 | S | S | * | * | trans | -73.5 | 77.6 | -175.6 | 39.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 254 | Y | 29 | Very low | 41.7 | Very low | 223 Ų | 223 | 104.8 Ų | 104.8 | 88% | 0.875 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -159.2 | 117.4 | 155.5 | -86.1 | -74.5 | 0 | 0 | 0 | 108.1 | T252 | T252-Y254 VanDerWaalsContact C-N 3.27Å; T252-Y254 PolarHBondContact O-N 3.1Å |
| 255 | S | 35.6 | Very low | 44.8 | Very low | 66 Ų | 66 | 101.9 Ų | 101.9 | 46% | 0.462 | 54% | 0.537 | S | S | . | . | trans | 74.1 | 97.2 | 176.8 | -164.7 | 0 | 0 | 0 | 0 | 117.9 | V257 | S255-V257 VanDerWaalsContact C-N 3.35Å; S255-V257 PolarHBondContact O-N 2.96Å; S255-V257 WeakPolarHBondContact OG-CG2 3.49Å | ||
| 256 | S | 30.7 | Very low | 48 | Very low | 80 Ų | 80 | 92.6 Ų | 92.6 | 56% | 0.559 | 49% | 0.494 | S | S | * | . | trans | -78.1 | 87.1 | 155.9 | 53.6 | 0 | 0 | 0 | 0 | 108.8 | V258 | S256-V258 PolarHBondContact O-N 3.39Š| ||
| 257 | V | 39.9 | Very low | 51.1 | Low | 52 Ų | 52 | 86.6 Ų | 86.6 | 32% | 0.315 | 47% | 0.471 | S | S | . | . | trans | -67.1 | 99.4 | 175 | -179.9 | 0 | 0 | 0 | 0 | 109.1 | L202 S255 S259 | L202-V257 HydrophobicContact CD2-CG2 4.05Å; S255-V257 VanDerWaalsContact C-N 3.35Å; S255-V257 PolarHBondContact O-N 2.96Å; S255-V257 WeakPolarHBondContact OG-CG2 3.49Å; V257-S259 PolarHBondContact O-N 3.23Å | ||
| 258 | V | 38.2 | Very low | 54.3 | Low | 113 Ų | 113 | 81.1 Ų | 81.1 | 69% | 0.685 | 44% | 0.436 | S | S | * | . | trans | -83 | 77.2 | 160.9 | -173.9 | 0 | 0 | 0 | 0 | 106.7 | S256 | S256-V258 PolarHBondContact O-N 3.39Š| ||
| 259 | S | 50.1 | Low | 57.3 | Low | 25 Ų | 25 | 74.5 Ų | 74.5 | 18% | 0.175 | 41% | 0.408 | C | S | . | . | trans | -132.9 | 121.7 | 174.1 | -174.5 | 0 | 0 | 0 | 0 | 109 | Y200 V201 V257 S261 | Y200-S259 WeakPolarHBondContact CA-OG 3.02Å; V201-S259 PolarHBondContact N-OG 3.3Å; V257-S259 PolarHBondContact O-N 3.23Å; S259-S261 PolarHBondContact O-N 3.5Å | ||
| 260 | R | 51.7 | Low | 60.4 | Low | 150 Ų | 150 | 71.4 Ų | 71.4 | 57% | 0.566 | 38% | 0.381 | S | S | * | . | trans | -65.2 | 124.7 | 169.5 | -74.7 | -179.2 | 177 | -164.5 | 1.2 | 108 | Y262 | R260-Y262 HydrophobicContact CB-CD2 4.49Å; R260-Y262 HydrophobicContact CB-CE2 3.75Å; R260-Y262 WeakPolarHBondContact O-CD2 3.35Å; R260-Y262 VanDerWaalsContact O-CE2 3.24Å; R260-Y262 WeakPolarHBondContact O-CE2 3.35Å; R260-Y262 PolarHBondContact O-N 2.86Å | ||
| 261 | S | 64.1 | Low | 63.2 | Low | 26 Ų | 26 | 70.9 Ų | 70.9 | 18% | 0.182 | 37% | 0.371 | C | S | . | . | trans | -65.8 | 124.9 | 166.7 | 45.7 | 0 | 0 | 0 | 0 | 109.1 | Y200 C243 S259 | Y200-S261 VanDerWaalsContact CE1-CB 3.44Å; C243-S261 PolarHBondContact SG-OG 2.89Å; C243-S261 VanDerWaalsContact SG-OG 3.34Å; S259-S261 PolarHBondContact O-N 3.5Å | ||
| 262 | Y | 75.5 | Confident | 66.3 | Low | 25 Ų | 25 | 66.2 Ų | 66.2 | 10% | 0.098 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 130.8 | 168.7 | -61.6 | -90.1 | 0 | 0 | 0 | 109.2 | I32 E34 S198 R199 R260 | I32-Y262 HydrophobicContact CD1-CD1 4.48Å; I32-Y262 HydrophobicContact CD1-CE1 4.08Å; I32-Y262 HydrophobicContact CG1-CE1 4.12Å; I32-Y262 HydrophobicContact CG2-CE1 4.14Å; E34-Y262 PolarHBondContact OE2-OH 2.9Å; S198-Y262 WeakPolarHBondContact CA-O 3.43Å; R199-Y262 HydrophobicContact CG-CD2 4.37Å; R199-Y262 PolarHBondContact N-O 3.34Å; R199-Y262 VanDerWaalsContact N-O 3.07Å; R199-Y262 PolarHBondContact O-N 2.8Å; R260-Y262 HydrophobicContact CB-CD2 4.49Å; R260-Y262 HydrophobicContact CB-CE2 3.75Å; R260-Y262 WeakPolarHBondContact O-CD2 3.35Å; R260-Y262 VanDerWaalsContact O-CE2 3.24Å; R260-Y262 WeakPolarHBondContact O-CE2 3.35Å; R260-Y262 PolarHBondContact O-N 2.86Å |
| 263 | P | 83.5 | Confident | 69.4 | Low | 60 Ų | 60 | 61.8 Ų | 61.8 | 39% | 0.39 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 140.2 | 173 | 27.4 | -33.6 | 0 | 0 | 0 | 109.5 | C285 | P263-C285 HydrophobicContact CB-CB 3.87Å |
| 264 | V | 91.7 | Very high | 72.6 | Confident | 6 Ų | 6 | 56.6 Ų | 56.6 | 4% | 0.036 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -103.6 | 127.4 | -175.5 | 177.3 | 0 | 0 | 0 | 0 | 109.3 | C197 R199 M266 F297 F298 I299 | C197-V264 HydrophobicContact CB-CB 4Å; C197-V264 HydrophobicContact CB-CG2 4.4Å; C197-V264 WeakPolarHBondContact O-CB 3.48Å; C197-V264 WeakPolarHBondContact O-CG2 3.5Å; C197-V264 PolarHBondContact O-N 3.38Å; R199-V264 HydrophobicContact CB-CG2 3.98Å; R199-V264 HydrophobicContact CG-CG2 4.47Å; V264-M266 WeakPolarHBondContact O-CE 3.16Å; V264-F297 HydrophobicContact CG1-CB 3.85Å; V264-F298 WeakPolarHBondContact CG1-O 3.41Å; V264-I299 HydrophobicContact CG1-CD1 3.89Å; V264-I299 HydrophobicContact CG1-CG1 3.68Å; V264-I299 HydrophobicContact CG2-CG1 4Å |
| 265 | P | 93.7 | Very high | 75.7 | Confident | 36 Ų | 36 | 51 Ų | 51 | 23% | 0.234 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 151.1 | 171.1 | -22.6 | 33 | 0 | 0 | 0 | 111.9 | I276 H277 F298 | P265-I276 HydrophobicContact CB-CG2 3.63Å; P265-H277 CarbonylContact C-O 3.48Å; P265-H277 WeakPolarHBondContact CA-O 3.41Å; P265-F298 PolarHBondContact O-N 2.73Å |
| 266 | M | 96.1 | Very high | 78.5 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 169.2 | -176.3 | 66.8 | -159.7 | 77.2 | 0 | 0 | 112.5 | V264 I276 H277 T287 V295 T296 F297 | V264-M266 WeakPolarHBondContact O-CE 3.16Å; M266-I276 CarbonylContact O-C 3.57Å; M266-I276 WeakPolarHBondContact O-CA 3.34Å; M266-H277 PolarHBondContact N-O 2.97Å; M266-H277 PolarHBondContact O-CD2 3.39Å; M266-H277 PolarHBondContact O-N 3.22Å; M266-T287 HydrophobicContact CG-CG2 4.16Å; M266-T287 WeakPolarHBondContact SD-CB 3.34Å; M266-T287 HydrophobicContact SD-CG2 3.32Å; M266-T287 WeakPolarHBondContact SD-CG2 3.41Å; M266-V295 HydrophobicContact CB-CG1 4.41Å; M266-T296 CarbonylContact C-O 3.59Å; M266-T296 WeakPolarHBondContact CA-O 3.46Å; M266-T296 WeakPolarHBondContact CB-O 3.4Å; M266-F297 HydrophobicContact CB-CD1 3.74Å; M266-F297 HydrophobicContact CB-CE1 4.03Å; M266-F297 HydrophobicContact CE-CD1 4.38Å; M266-F297 HydrophobicContact CE-CE1 4.11Å; M266-F297 HydrophobicContact SD-CD1 4.49Å; M266-F297 HydrophobicContact SD-CE1 3.95Å |
| 267 | S | 95.7 | Very high | 81.5 | Confident | 4 Ų | 4 | 45.6 Ų | 45.6 | 3% | 0.028 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 160.8 | 166.9 | 64.4 | 0 | 0 | 0 | 0 | 110.2 | R273 C274 V295 T296 F298 S629 | S267-R273 CarbonylContact C-O 3.34Å; S267-R273 WeakPolarHBondContact CA-O 3.21Å; S267-C274 VanDerWaalsContact CB-O 3.24Å; S267-C274 WeakPolarHBondContact CB-O 3.45Å; S267-V295 WeakPolarHBondContact O-CA 3.22Å; S267-T296 PolarHBondContact N-O 3.48Å; S267-T296 PolarHBondContact O-N 3.06Å; S267-F298 WeakPolarHBondContact OG-CE2 3.38Å; S267-F298 WeakPolarHBondContact OG-CZ 3.41Å; S267-S629 VanDerWaalsContact CB-OG 3.24Å; S267-S629 WeakPolarHBondContact CB-OG 3.36Å; S267-S629 PolarHBondContact OG-OG 3.15Å |
| 268 | T | 94 | Very high | 84 | Confident | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 162.6 | 173.1 | 79.9 | 0 | 0 | 0 | 0 | 111.8 | E270 R273 C274 T287 D294 V295 | T268-E270 PolarHBondContact O-N 2.95Å; T268-E270 PolarHBondContact OG1-N 2.92Å; T268-R273 HydrophobicContact CG2-CB 4.2Å; T268-R273 PolarHBondContact N-O 3.3Å; T268-R273 VanDerWaalsContact OG1-CB 3.29Å; T268-R273 WeakPolarHBondContact OG1-CB 3.45Å; T268-C274 WeakPolarHBondContact O-CA 3.34Å; T268-T287 HydrophobicContact CG2-CG2 4.16Å; T268-D294 WeakPolarHBondContact CA-O 3.34Å; T268-D294 WeakPolarHBondContact CB-O 3.27Å; T268-V295 HydrophobicContact CG2-CG2 4.08Å |
| 269 | L | 92.6 | Very high | 86.5 | Confident | 35 Ų | 35 | 43 Ų | 43 | 18% | 0.183 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -79.3 | 47.8 | 170.9 | -66.1 | -179.8 | 0 | 0 | 0 | 112.7 | D294 R616 W625 | L269-D294 HydrophobicContact CB-CB 4.18Å; L269-D294 HydrophobicContact CD1-CB 3.65Å; L269-D294 HydrophobicContact CG-CB 3.82Å; L269-D294 PolarHBondContact N-O 2.92Å; L269-R616 HydrophobicContact CD1-CG 3.96Å; L269-R616 HydrophobicContact CD2-CG 4.28Å; L269-W625 HydrophobicContact CD2-CB 4.13Å |
| 270 | E | 91.4 | Very high | 88.5 | Confident | 47 Ų | 47 | 46.1 Ų | 46.1 | 22% | 0.22 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -129.1 | 140.7 | 171.8 | -65.1 | -168 | 170.8 | 0 | 0 | 110.8 | T268 N272 R273 C274 K290 | T268-E270 PolarHBondContact O-N 2.95Å; T268-E270 PolarHBondContact OG1-N 2.92Å; E270-N272 VanDerWaalsContact C-N 3.34Å; E270-N272 PolarHBondContact O-N 3.47Å; E270-N272 VanDerWaalsContact O-N 3.12Å; E270-R273 VanDerWaalsContact CD-NH2 3.25Å; E270-R273 CarbonylContact O-C 3.6Å; E270-R273 PolarHBondContact O-N 3.44Å; E270-R273 IonicContact OE1-NH2 3.64Å; E270-R273 IonicContact OE2-CZ 3.51Å; E270-R273 IonicContact OE2-NH1 2.77Å; E270-R273 PolarHBondContact OE2-NH1 3.21Å; E270-R273 IonicContact OE2-NH2 3.46Å; E270-R273 PolarHBondContact OE2-NH2 3.45Å; E270-C274 WeakPolarHBondContact O-CA 3.39Å; E270-C274 WeakPolarHBondContact O-CB 3.33Å; E270-C274 PolarHBondContact O-N 2.8Å; E270-K290 IonicContact OE1-NZ 3.36Å; E270-K290 PolarHBondContact OE1-NZ 2.79Å; E270-K290 IonicContact OE2-NZ 3.56Å; E270-K290 PolarHBondContact OE2-NZ 2.92Å |
| 271 | I | 91 | Very high | 90.4 | Very high | 68 Ų | 68 | 40.6 Ų | 40.6 | 35% | 0.349 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -45.2 | -50.3 | -174.9 | 174.2 | 57.4 | 0 | 0 | 0 | 114.5 | R273 C274 W625 H655 | I271-R273 PolarHBondContact O-N 3.01Å; I271-C274 PolarHBondContact O-SG 3.09Å; I271-W625 HydrophobicContact CB-CD2 4.36Å; I271-W625 HydrophobicContact CB-CE3 4.35Å; I271-W625 HydrophobicContact CB-CH2 3.89Å; I271-W625 HydrophobicContact CB-CZ2 3.79Å; I271-W625 HydrophobicContact CB-CZ3 4.17Å; I271-W625 HydrophobicContact CD1-CE3 3.84Å; I271-W625 HydrophobicContact CD1-CH2 3.51Å; I271-W625 HydrophobicContact CD1-CZ2 4.31Å; I271-W625 HydrophobicContact CD1-CZ3 3.23Å; I271-W625 HydrophobicContact CG1-CH2 4.04Å; I271-W625 HydrophobicContact CG1-CZ2 4.43Å; I271-W625 HydrophobicContact CG1-CZ3 4.18Å; I271-H655 VanDerWaalsContact CD1-CD2 3.49Å; I271-H655 WeakPolarHBondContact CD1-CD2 3.39Å; I271-H655 WeakPolarHBondContact CD1-NE2 3.3Å |
| 272 | N | 91.6 | Very high | 91.5 | Very high | 137 Ų | 137 | 44.5 Ų | 44.5 | 73% | 0.733 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -77.4 | -8.5 | -174 | -64 | -19.5 | 0 | 0 | 0 | 113.7 | E270 | E270-N272 VanDerWaalsContact C-N 3.34Å; E270-N272 PolarHBondContact O-N 3.47Å; E270-N272 VanDerWaalsContact O-N 3.12Å |
| 273 | R | 93.6 | Very high | 92.1 | Very high | 28 Ų | 28 | 48.8 Ų | 48.8 | 11% | 0.106 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -131.7 | 12.4 | -176.2 | -64.3 | -162.2 | -59.4 | -61.1 | 2.8 | 112.5 | S267 T268 E270 I271 H277 E280 T287 | S267-R273 CarbonylContact C-O 3.34Å; S267-R273 WeakPolarHBondContact CA-O 3.21Å; T268-R273 HydrophobicContact CG2-CB 4.2Å; T268-R273 PolarHBondContact N-O 3.3Å; T268-R273 VanDerWaalsContact OG1-CB 3.29Å; T268-R273 WeakPolarHBondContact OG1-CB 3.45Å; E270-R273 VanDerWaalsContact CD-NH2 3.25Å; E270-R273 CarbonylContact O-C 3.6Å; E270-R273 PolarHBondContact O-N 3.44Å; E270-R273 IonicContact OE1-NH2 3.64Å; E270-R273 IonicContact OE2-CZ 3.51Å; E270-R273 IonicContact OE2-NH1 2.77Å; E270-R273 PolarHBondContact OE2-NH1 3.21Å; E270-R273 IonicContact OE2-NH2 3.46Å; E270-R273 PolarHBondContact OE2-NH2 3.45Å; I271-R273 PolarHBondContact O-N 3.01Å; R273-H277 PolarHBondContact O-CD2 2.86Å; R273-E280 WeakPolarHBondContact CD-OE1 3.12Å; R273-E280 WeakPolarHBondContact CG-OE1 3.35Å; R273-T287 WeakPolarHBondContact CD-OG1 3.25Å; R273-T287 PolarHBondContact NE-OG1 2.98Å |
| 274 | C | 94.3 | Very high | 92.4 | Very high | 4 Ų | 4 | 46.7 Ų | 46.7 | 3% | 0.027 | 24% | 0.235 | C | C | . | . | trans | -74.1 | -34.3 | -176.1 | 67.4 | 0 | 0 | 0 | 0 | 113.3 | S267 T268 E270 I271 W625 S629 | S267-C274 VanDerWaalsContact CB-O 3.24Å; S267-C274 WeakPolarHBondContact CB-O 3.45Å; T268-C274 WeakPolarHBondContact O-CA 3.34Å; E270-C274 WeakPolarHBondContact O-CA 3.39Å; E270-C274 WeakPolarHBondContact O-CB 3.33Å; E270-C274 PolarHBondContact O-N 2.8Å; I271-C274 PolarHBondContact O-SG 3.09Å; C274-W625 HydrophobicContact CB-CB 3.67Å; C274-W625 HydrophobicContact CB-CG 4.24Å; C274-S629 WeakPolarHBondContact O-CA 3.22Å; C274-S629 WeakPolarHBondContact O-CB 3.4Å; C274-S629 PolarHBondContact O-OG 3.44Å | ||
| 275 | R | 94.6 | Very high | 92.3 | Very high | 107 Ų | 107 | 47.9 Ų | 47.9 | 40% | 0.404 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -75.1 | 150 | 174.2 | -65.2 | -175.1 | 178 | 176.6 | -0.5 | 110.4 | D23 H277 | D23-R275 IonicContact OD1-NH1 2.84Å; R275-H277 PolarHBondContact O-CD2 2.85Å; R275-H277 VanDerWaalsContact O-CD2 3.24Å; R275-H277 PolarHBondContact O-N 3.3Å; R275-H277 VanDerWaalsContact O-N 3.13Å |
| 276 | I | 95 | Very high | 92.3 | Very high | 9 Ų | 9 | 46.1 Ų | 46.1 | 5% | 0.046 | 23% | 0.232 | C | C | . | . | trans | -56.1 | 119.4 | 176 | -58.1 | 179.1 | 0 | 0 | 0 | 109.3 | P265 M266 F298 | P265-I276 HydrophobicContact CB-CG2 3.63Å; M266-I276 CarbonylContact O-C 3.57Å; M266-I276 WeakPolarHBondContact O-CA 3.34Å; I276-F298 HydrophobicContact CB-CD2 4.42Å; I276-F298 HydrophobicContact CB-CE2 4.44Å; I276-F298 HydrophobicContact CD1-CD1 4.26Å; I276-F298 HydrophobicContact CD1-CD2 4.17Å; I276-F298 HydrophobicContact CD1-CE1 4.34Å; I276-F298 HydrophobicContact CD1-CE2 4.23Å; I276-F298 HydrophobicContact CD1-CG 4.19Å; I276-F298 HydrophobicContact CD1-CZ 4.31Å; I276-F298 HydrophobicContact CG1-CD2 3.91Å; I276-F298 HydrophobicContact CG1-CE2 3.68Å; I276-F298 HydrophobicContact CG1-CG 4.43Å; I276-F298 HydrophobicContact CG1-CZ 4.02Å; I276-F298 HydrophobicContact CG2-CD2 3.91Å; I276-F298 HydrophobicContact CG2-CE2 4.39Å | ||
| 277 | H | 93.6 | Very high | 92.2 | Very high | 22 Ų | 22 | 46.1 Ų | 46.1 | 10% | 0.102 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -135.6 | 158.8 | -177.1 | 71.2 | 91.1 | 0 | 0 | 0 | 113.1 | Y27 P265 M266 R273 R275 E280 | Y27-H277 VanDerWaalsContact OH-CA 3.24Å; Y27-H277 WeakPolarHBondContact OH-CA 3.35Å; P265-H277 CarbonylContact C-O 3.48Å; P265-H277 WeakPolarHBondContact CA-O 3.41Å; M266-H277 PolarHBondContact N-O 2.97Å; M266-H277 PolarHBondContact O-CD2 3.39Å; M266-H277 PolarHBondContact O-N 3.22Å; R273-H277 PolarHBondContact O-CD2 2.86Å; R275-H277 PolarHBondContact O-CD2 2.85Å; R275-H277 VanDerWaalsContact O-CD2 3.24Å; R275-H277 PolarHBondContact O-N 3.3Å; R275-H277 VanDerWaalsContact O-N 3.13Å; H277-E280 VanDerWaalsContact CE1-CD 3.45Å; H277-E280 IonicContact CE1-OE1 3.45Å; H277-E280 PolarHBondContact CE1-OE1 3.01Å; H277-E280 IonicContact CE1-OE2 2.65Å; H277-E280 IonicContact ND1-OE1 2.62Å; H277-E280 PolarHBondContact ND1-OE1 2.97Å; H277-E280 IonicContact NE2-OE1 2.75Å |
| 278 | R | 91.8 | Very high | 92.1 | Very high | 95 Ų | 95 | 48 Ų | 48 | 36% | 0.358 | 24% | 0.242 | S | C | . | . | trans | -74.2 | 148.1 | 164.1 | -71.4 | 176.5 | 179 | -136 | -12.9 | 109.4 | Y27 E29 E280 | Y27-R278 HydrophobicContact CD1-CG 3.77Å; Y27-R278 HydrophobicContact CD2-CG 4.28Å; Y27-R278 HydrophobicContact CE1-CB 4.35Å; Y27-R278 HydrophobicContact CE1-CG 3.63Å; Y27-R278 HydrophobicContact CE2-CG 4.19Å; Y27-R278 HydrophobicContact CG-CG 4.09Å; Y27-R278 VanDerWaalsContact CG-NE 3.33Å; Y27-R278 PolarHBondContact OH-N 3.4Å; E29-R278 VanDerWaalsContact CD-NH2 3.32Å; E29-R278 IonicContact OE1-CZ 2.7Å; E29-R278 VanDerWaalsContact OE1-CZ 3.26Å; E29-R278 IonicContact OE1-NH1 2.75Å; E29-R278 PolarHBondContact OE1-NH1 3.3Å; E29-R278 IonicContact OE1-NH2 3.07Å; E29-R278 PolarHBondContact OE1-NH2 2.91Å; R278-E280 PolarHBondContact O-N 3.22Å | ||
| 279 | G | 91.3 | Very high | 92 | Very high | 16 Ų | 16 | 48.1 Ų | 48.1 | 17% | 0.165 | 24% | 0.242 | C | C | . | . | trans | -59.5 | 136.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q281 C285 G286 | G279-Q281 VanDerWaalsContact C-N 3.32Å; G279-Q281 PolarHBondContact O-N 2.82Å; G279-C285 WeakPolarHBondContact CA-O 3.38Å; G279-G286 CarbonylContact C-O 3.47Å; G279-G286 WeakPolarHBondContact CA-O 3.38Å | ||
| 280 | E | 91.7 | Very high | 91.8 | Very high | 90 Ų | 90 | 51 Ų | 51 | 42% | 0.421 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -77.4 | -18.1 | -170.9 | -54.2 | 87.5 | 165.7 | 0 | 0 | 113 | R273 H277 R278 P282 G286 T287 | R273-E280 WeakPolarHBondContact CD-OE1 3.12Å; R273-E280 WeakPolarHBondContact CG-OE1 3.35Å; H277-E280 VanDerWaalsContact CE1-CD 3.45Å; H277-E280 IonicContact CE1-OE1 3.45Å; H277-E280 PolarHBondContact CE1-OE1 3.01Å; H277-E280 IonicContact CE1-OE2 2.65Å; H277-E280 IonicContact ND1-OE1 2.62Å; H277-E280 PolarHBondContact ND1-OE1 2.97Å; H277-E280 IonicContact NE2-OE1 2.75Å; R278-E280 PolarHBondContact O-N 3.22Å; E280-P282 VanDerWaalsContact O-CD 3.3Å; E280-P282 WeakPolarHBondContact O-CD 3.41Å; E280-G286 PolarHBondContact N-O 3.26Å; E280-T287 PolarHBondContact OE1-OG1 3.34Å; E280-T287 WeakPolarHBondContact OE2-CA 3.2Å; E280-T287 WeakPolarHBondContact OE2-CB 3.34Å; E280-T287 PolarHBondContact OE2-OG1 3.46Å |
| 281 | Q | 92.5 | Very high | 91.2 | Very high | 35 Ų | 35 | 54 Ų | 54 | 16% | 0.164 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | -82 | 115.4 | 178.2 | -82.5 | -60.5 | -28.5 | 0 | 0 | 112.3 | F194 G279 E283 C284 C285 G286 | F194-Q281 HydrophobicContact CD1-CB 4.23Å; F194-Q281 HydrophobicContact CD1-CG 3.2Å; F194-Q281 HydrophobicContact CD2-CG 3.96Å; F194-Q281 HydrophobicContact CE1-CG 3.16Å; F194-Q281 HydrophobicContact CE2-CG 3.89Å; F194-Q281 HydrophobicContact CG-CG 3.63Å; F194-Q281 HydrophobicContact CZ-CG 3.53Å; G279-Q281 VanDerWaalsContact C-N 3.32Å; G279-Q281 PolarHBondContact O-N 2.82Å; Q281-E283 VanDerWaalsContact C-N 3.3Å; Q281-E283 PolarHBondContact O-N 3.34Å; Q281-C284 PolarHBondContact O-N 2.82Å; Q281-C285 WeakPolarHBondContact O-CA 3.36Å; Q281-C285 PolarHBondContact O-N 2.69Å; Q281-G286 PolarHBondContact N-O 3.48Å |
| 282 | P | 86.4 | Confident | 90.7 | Very high | 108 Ų | 108 | 52.3 Ų | 52.3 | 70% | 0.701 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -31.5 | -175.6 | -23.4 | 35 | 0 | 0 | 0 | 114.2 | E280 | E280-P282 VanDerWaalsContact O-CD 3.3Å; E280-P282 WeakPolarHBondContact O-CD 3.41Å |
| 283 | E | 87.9 | Confident | 90.6 | Very high | 114 Ų | 114 | 46.8 Ų | 46.8 | 53% | 0.533 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -30.3 | -175.3 | -71.1 | -178.6 | -126.3 | 0 | 0 | 113.6 | Q281 L333 | Q281-E283 VanDerWaalsContact C-N 3.3Å; Q281-E283 PolarHBondContact O-N 3.34Å; E283-L333 HydrophobicContact CB-CB 4.4Å; E283-L333 HydrophobicContact CB-CD2 3.93Å; E283-L333 WeakPolarHBondContact OE2-CB 3.35Å |
| 284 | C | 89 | Confident | 90.5 | Very high | 16 Ų | 16 | 45.9 Ų | 45.9 | 11% | 0.108 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.6 | -5.1 | -176.5 | 65.8 | 0 | 0 | 0 | 0 | 114.8 | A196 Q281 G286 Y314 L333 | A196-C284 WeakPolarHBondContact CB-O 3.05Å; Q281-C284 PolarHBondContact O-N 2.82Å; C284-G286 PolarHBondContact O-N 2.99Å; C284-G286 PolarHBondContact SG-N 3.32Å; C284-G286 VanDerWaalsContact SG-N 3.36Å; C284-Y314 HydrophobicContact CB-CD1 4.23Å; C284-Y314 HydrophobicContact CB-CD2 3.68Å; C284-Y314 HydrophobicContact CB-CE1 4.11Å; C284-Y314 HydrophobicContact CB-CE2 3.55Å; C284-Y314 HydrophobicContact CB-CG 4.03Å; C284-L333 HydrophobicContact CB-CD2 3.58Å; C284-L333 VanDerWaalsContact SG-CD2 3.54Å |
| 285 | C | 90.4 | Very high | 90.6 | Very high | 31 Ų | 31 | 45.7 Ų | 45.7 | 21% | 0.209 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 32.9 | -170.3 | -54.6 | 0 | 0 | 0 | 0 | 113 | P263 G279 Q281 | P263-C285 HydrophobicContact CB-CB 3.87Å; G279-C285 WeakPolarHBondContact CA-O 3.38Å; Q281-C285 WeakPolarHBondContact O-CA 3.36Å; Q281-C285 PolarHBondContact O-N 2.69Å |
| 286 | G | 92.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -100.9 | 164.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | V195 G279 E280 Q281 C284 | V195-G286 CarbonylContact O-C 3.56Å; V195-G286 WeakPolarHBondContact O-CA 3.44Å; G279-G286 CarbonylContact C-O 3.47Å; G279-G286 WeakPolarHBondContact CA-O 3.38Å; E280-G286 PolarHBondContact N-O 3.26Å; Q281-G286 PolarHBondContact N-O 3.48Å; C284-G286 PolarHBondContact O-N 2.99Å; C284-G286 PolarHBondContact SG-N 3.32Å; C284-G286 VanDerWaalsContact SG-N 3.36Å |
| 287 | T | 94.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 154.3 | 173.4 | -164 | 0 | 0 | 0 | 0 | 112.5 | F194 V195 M266 T268 R273 E280 Y289 V295 | F194-T287 CarbonylContact C-O 3.5Å; F194-T287 WeakPolarHBondContact CA-O 3.43Å; V195-T287 HydrophobicContact CG1-CG2 3.9Å; V195-T287 PolarHBondContact N-O 3.24Å; V195-T287 PolarHBondContact O-N 2.98Å; M266-T287 HydrophobicContact CG-CG2 4.16Å; M266-T287 WeakPolarHBondContact SD-CB 3.34Å; M266-T287 HydrophobicContact SD-CG2 3.32Å; M266-T287 WeakPolarHBondContact SD-CG2 3.41Å; T268-T287 HydrophobicContact CG2-CG2 4.16Å; R273-T287 WeakPolarHBondContact CD-OG1 3.25Å; R273-T287 PolarHBondContact NE-OG1 2.98Å; E280-T287 PolarHBondContact OE1-OG1 3.34Å; E280-T287 WeakPolarHBondContact OE2-CA 3.2Å; E280-T287 WeakPolarHBondContact OE2-CB 3.34Å; E280-T287 PolarHBondContact OE2-OG1 3.46Å; T287-Y289 PolarHBondContact O-N 2.93Å; T287-V295 HydrophobicContact CG2-CG1 4.43Å |
| 288 | L | 93.4 | Very high | 90.8 | Very high | 44 Ų | 44 | 40 Ų | 40 | 23% | 0.23 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 125.3 | 175.1 | -177.5 | 71.2 | 0 | 0 | 0 | 109.4 | Q192 F194 | Q192-L288 HydrophobicContact CB-CD1 3.91Å; Q192-L288 HydrophobicContact CG-CD1 4.11Å; F194-L288 HydrophobicContact CD1-CB 4.29Å; F194-L288 HydrophobicContact CE1-CB 4Å; F194-L288 HydrophobicContact CE1-CD1 3.96Å; F194-L288 HydrophobicContact CZ-CD1 4.15Å |
| 289 | Y | 92.1 | Very high | 90.9 | Very high | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | trans | -118.1 | 115.7 | -179.2 | -176.9 | -112.7 | 0 | 0 | 0 | 110.6 | M174 C179 F187 L193 V195 T287 D293 V295 F313 | M174-Y289 HydrophobicContact CE-CD2 4.45Å; M174-Y289 HydrophobicContact CE-CE1 4.32Å; M174-Y289 HydrophobicContact CE-CE2 3.82Å; C179-Y289 HydrophobicContact CB-CE1 4.26Å; C179-Y289 WeakPolarHBondContact CB-OH 3.39Å; F187-Y289 HydrophobicContact CZ-CE1 4.48Å; L193-Y289 HydrophobicContact CD2-CD1 3.67Å; L193-Y289 HydrophobicContact CD2-CE1 4.35Å; L193-Y289 HydrophobicContact CG-CD1 4.35Å; L193-Y289 PolarHBondContact O-N 3.43Å; V195-Y289 HydrophobicContact CB-CG 4.29Å; V195-Y289 HydrophobicContact CG1-CD2 4.17Å; V195-Y289 HydrophobicContact CG1-CG 4.18Å; T287-Y289 PolarHBondContact O-N 2.93Å; Y289-D293 HydrophobicContact CD2-CB 3.83Å; Y289-D293 HydrophobicContact CE2-CB 3.8Å; Y289-V295 HydrophobicContact CD2-CG2 3.75Å; Y289-V295 HydrophobicContact CE2-CG2 4.04Å; Y289-F313 HydrophobicContact CD1-CE1 4.15Å; Y289-F313 HydrophobicContact CE1-CE1 4.22Å | ||
| 290 | K | 87.6 | Confident | 90.9 | Very high | 96 Ų | 96 | 37.3 Ų | 37.3 | 42% | 0.417 | 20% | 0.201 | S | C | . | . | trans | -98 | 150.5 | 169.6 | -51.8 | 164.3 | -170.1 | 159.5 | 0 | 108.9 | E270 G292 D293 | E270-K290 IonicContact OE1-NZ 3.36Å; E270-K290 PolarHBondContact OE1-NZ 2.79Å; E270-K290 IonicContact OE2-NZ 3.56Å; E270-K290 PolarHBondContact OE2-NZ 2.92Å; K290-G292 PolarHBondContact O-N 3.46Å; K290-G292 VanDerWaalsContact O-N 3.13Å; K290-D293 WeakPolarHBondContact CB-OD1 3.42Å; K290-D293 WeakPolarHBondContact CB-OD2 3.21Å; K290-D293 PolarHBondContact N-OD2 2.92Å; K290-D293 WeakPolarHBondContact O-CB 3.07Å; K290-D293 PolarHBondContact O-N 2.96Å | ||
| 291 | L | 80.8 | Confident | 90.8 | Very high | 111 Ų | 111 | 33.3 Ų | 33.3 | 58% | 0.581 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62 | 120.3 | 175.3 | -175.3 | 65.8 | 0 | 0 | 0 | 109.1 | F187 | F187-L291 HydrophobicContact CD1-CB 4.12Å; F187-L291 HydrophobicContact CE1-CB 3.76Å; F187-L291 HydrophobicContact CE2-CB 4.32Å; F187-L291 HydrophobicContact CE2-CD1 3.92Å; F187-L291 HydrophobicContact CE2-CD2 4.48Å; F187-L291 HydrophobicContact CE2-CG 4.47Å; F187-L291 HydrophobicContact CZ-CB 3.87Å; F187-L291 HydrophobicContact CZ-CD1 3.82Å; F187-L291 HydrophobicContact CZ-CG 4.36Å |
| 292 | G | 79.6 | Confident | 90.4 | Very high | 32 Ų | 32 | 35.4 Ų | 35.4 | 33% | 0.33 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 103.3 | -8.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | S176 K290 | S176-G292 VanDerWaalsContact CA-O 3.25Å; S176-G292 WeakPolarHBondContact CA-O 3.37Å; S176-G292 WeakPolarHBondContact CB-O 3.44Å; S176-G292 WeakPolarHBondContact O-CA 3.39Å; K290-G292 PolarHBondContact O-N 3.46Å; K290-G292 VanDerWaalsContact O-N 3.13Å |
| 293 | D | 88.9 | Confident | 90.4 | Very high | 20 Ų | 20 | 32.7 Ų | 32.7 | 11% | 0.107 | 18% | 0.181 | C | C | . | . | trans | -64.9 | 141.5 | 176.8 | -74.4 | -2.3 | 0 | 0 | 0 | 111.1 | Y289 K290 V295 | Y289-D293 HydrophobicContact CD2-CB 3.83Å; Y289-D293 HydrophobicContact CE2-CB 3.8Å; K290-D293 WeakPolarHBondContact CB-OD1 3.42Å; K290-D293 WeakPolarHBondContact CB-OD2 3.21Å; K290-D293 PolarHBondContact N-OD2 2.92Å; K290-D293 WeakPolarHBondContact O-CB 3.07Å; K290-D293 PolarHBondContact O-N 2.96Å; D293-V295 HydrophobicContact CB-CG2 4.27Å | ||
| 294 | D | 92.5 | Very high | 90.5 | Very high | 9 Ų | 9 | 27.9 Ų | 27.9 | 5% | 0.048 | 16% | 0.159 | C | C | . | . | trans | -93.9 | 117.7 | 168.2 | -159.3 | -58.7 | 0 | 0 | 0 | 108.3 | R173 M174 T268 L269 T615 | R173-D294 WeakPolarHBondContact CD-OD1 3Å; R173-D294 WeakPolarHBondContact CG-OD1 3.01Å; R173-D294 IonicContact CZ-OD1 2.71Å; R173-D294 IonicContact CZ-OD2 3.55Å; R173-D294 VanDerWaalsContact CZ-OD2 3.22Å; R173-D294 VanDerWaalsContact NE-CG 3.28Å; R173-D294 IonicContact NE-OD1 3.28Å; R173-D294 PolarHBondContact NE-OD1 3.46Å; R173-D294 IonicContact NE-OD2 3.84Å; R173-D294 PolarHBondContact NE-OD2 3.31Å; R173-D294 IonicContact NH2-OD1 3.89Å; R173-D294 IonicContact NH2-OD2 2.77Å; R173-D294 PolarHBondContact NH2-OD2 3.38Å; M174-D294 CarbonylContact O-C 3.51Å; M174-D294 VanDerWaalsContact O-CA 3.26Å; M174-D294 WeakPolarHBondContact O-CA 3.4Å; T268-D294 WeakPolarHBondContact CA-O 3.34Å; T268-D294 WeakPolarHBondContact CB-O 3.27Å; L269-D294 HydrophobicContact CB-CB 4.18Å; L269-D294 HydrophobicContact CD1-CB 3.65Å; L269-D294 HydrophobicContact CG-CB 3.82Å; L269-D294 PolarHBondContact N-O 2.92Å; D294-T615 PolarHBondContact OD2-OG1 2.82Å | ||
| 295 | V | 95.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 126.6 | -178.4 | -174 | 0 | 0 | 0 | 0 | 109.2 | R173 M174 V195 M266 S267 T268 T287 Y289 D293 F297 | R173-V295 CarbonylContact C-O 3.58Å; R173-V295 WeakPolarHBondContact CA-O 3.44Å; M174-V295 HydrophobicContact CB-CB 4.45Å; M174-V295 PolarHBondContact N-O 2.73Å; M174-V295 PolarHBondContact O-N 2.99Å; V195-V295 HydrophobicContact CG1-CG1 4.21Å; V195-V295 HydrophobicContact CG1-CG2 4.27Å; M266-V295 HydrophobicContact CB-CG1 4.41Å; S267-V295 WeakPolarHBondContact O-CA 3.22Å; T268-V295 HydrophobicContact CG2-CG2 4.08Å; T287-V295 HydrophobicContact CG2-CG1 4.43Å; Y289-V295 HydrophobicContact CD2-CG2 3.75Å; Y289-V295 HydrophobicContact CE2-CG2 4.04Å; D293-V295 HydrophobicContact CB-CG2 4.27Å; V295-F297 HydrophobicContact CG1-CE1 3.98Å; V295-F297 HydrophobicContact CG1-CE2 4.17Å; V295-F297 HydrophobicContact CG1-CZ 3.73Å |
| 296 | T | 96.3 | Very high | 90.4 | Very high | 10 Ų | 10 | 34.9 Ų | 34.9 | 6% | 0.061 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 128.8 | 175.2 | -58.4 | 0 | 0 | 0 | 0 | 110 | H171 I172 M266 S267 F298 | H171-T296 HydrophobicContact CB-CG2 4.21Å; I172-T296 CarbonylContact O-C 3.55Å; I172-T296 WeakPolarHBondContact O-CA 3.37Å; M266-T296 CarbonylContact C-O 3.59Å; M266-T296 WeakPolarHBondContact CA-O 3.46Å; M266-T296 WeakPolarHBondContact CB-O 3.4Å; S267-T296 PolarHBondContact N-O 3.48Å; S267-T296 PolarHBondContact O-N 3.06Å; T296-F298 HydrophobicContact CG2-CD1 4.34Å; T296-F298 HydrophobicContact CG2-CE1 3.65Å; T296-F298 HydrophobicContact CG2-CE2 4.19Å; T296-F298 HydrophobicContact CG2-CZ 3.57Å; T296-F298 WeakPolarHBondContact O-CE2 3.35Å |
| 297 | F | 96.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 136.9 | 173.9 | -57.3 | -73.5 | 0 | 0 | 0 | 110.4 | H171 I172 M174 V195 C197 V264 M266 V295 I299 I311 | H171-F297 WeakPolarHBondContact CA-O 3.32Å; I172-F297 HydrophobicContact CB-CB 4.39Å; I172-F297 HydrophobicContact CB-CD2 4.47Å; I172-F297 PolarHBondContact N-O 3.25Å; I172-F297 WeakPolarHBondContact O-CD2 3.42Å; I172-F297 PolarHBondContact O-N 3.08Å; M174-F297 HydrophobicContact CG-CE2 4.28Å; M174-F297 HydrophobicContact SD-CE2 3.73Å; M174-F297 HydrophobicContact SD-CZ 4.21Å; V195-F297 HydrophobicContact CG1-CZ 4.17Å; V195-F297 HydrophobicContact CG2-CZ 3.84Å; C197-F297 HydrophobicContact CB-CB 4.27Å; C197-F297 HydrophobicContact CB-CD1 3.28Å; C197-F297 HydrophobicContact CB-CD2 4.14Å; C197-F297 HydrophobicContact CB-CE1 3.52Å; C197-F297 HydrophobicContact CB-CE2 4.33Å; C197-F297 HydrophobicContact CB-CG 3.63Å; C197-F297 HydrophobicContact CB-CZ 4.05Å; V264-F297 HydrophobicContact CG1-CB 3.85Å; M266-F297 HydrophobicContact CB-CD1 3.74Å; M266-F297 HydrophobicContact CB-CE1 4.03Å; M266-F297 HydrophobicContact CE-CD1 4.38Å; M266-F297 HydrophobicContact CE-CE1 4.11Å; M266-F297 HydrophobicContact SD-CD1 4.49Å; M266-F297 HydrophobicContact SD-CE1 3.95Å; V295-F297 HydrophobicContact CG1-CE1 3.98Å; V295-F297 HydrophobicContact CG1-CE2 4.17Å; V295-F297 HydrophobicContact CG1-CZ 3.73Å; F297-I299 HydrophobicContact CB-CD1 4.12Å; F297-I311 HydrophobicContact CD2-CD1 4.09Å; F297-I311 HydrophobicContact CD2-CG1 4.43Å; F297-I311 HydrophobicContact CE2-CD1 3.79Å; F297-I311 HydrophobicContact CE2-CG1 4.09Å; F297-I311 HydrophobicContact CE2-CG2 4.38Å; F297-I311 HydrophobicContact CZ-CG2 4.48Å |
| 298 | F | 95.7 | Very high | 90.2 | Very high | 10 Ų | 10 | 35.5 Ų | 35.5 | 4% | 0.044 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 103.4 | -174.6 | -57.6 | -78.4 | 0 | 0 | 0 | 111.3 | H171 V264 P265 S267 I276 T296 H630 | H171-F298 AromaticContact CD2-CD1 3.72Å; H171-F298 AromaticContact CE1-CD1 3.73Å; H171-F298 AromaticContact CE1-CE1 3.49Å; H171-F298 VanDerWaalsContact CE1-CE1 3.49Å; H171-F298 WeakPolarHBondContact CE1-CE1 3.46Å; H171-F298 AromaticContact ND1-CE1 3.77Å; H171-F298 AromaticContact NE2-CD1 3.47Å; H171-F298 WeakPolarHBondContact NE2-CD1 3.31Å; H171-F298 AromaticContact NE2-CE1 3.75Å; V264-F298 WeakPolarHBondContact CG1-O 3.41Å; P265-F298 PolarHBondContact O-N 2.73Å; S267-F298 WeakPolarHBondContact OG-CE2 3.38Å; S267-F298 WeakPolarHBondContact OG-CZ 3.41Å; I276-F298 HydrophobicContact CB-CD2 4.42Å; I276-F298 HydrophobicContact CB-CE2 4.44Å; I276-F298 HydrophobicContact CD1-CD1 4.26Å; I276-F298 HydrophobicContact CD1-CD2 4.17Å; I276-F298 HydrophobicContact CD1-CE1 4.34Å; I276-F298 HydrophobicContact CD1-CE2 4.23Å; I276-F298 HydrophobicContact CD1-CG 4.19Å; I276-F298 HydrophobicContact CD1-CZ 4.31Å; I276-F298 HydrophobicContact CG1-CD2 3.91Å; I276-F298 HydrophobicContact CG1-CE2 3.68Å; I276-F298 HydrophobicContact CG1-CG 4.43Å; I276-F298 HydrophobicContact CG1-CZ 4.02Å; I276-F298 HydrophobicContact CG2-CD2 3.91Å; I276-F298 HydrophobicContact CG2-CE2 4.39Å; T296-F298 HydrophobicContact CG2-CD1 4.34Å; T296-F298 HydrophobicContact CG2-CE1 3.65Å; T296-F298 HydrophobicContact CG2-CE2 4.19Å; T296-F298 HydrophobicContact CG2-CZ 3.57Å; T296-F298 WeakPolarHBondContact O-CE2 3.35Å; F298-H630 AromaticContact CE1-CE1 3.75Å; F298-H630 AromaticContact CZ-CE1 3.99Å |
| 299 | I | 93.7 | Very high | 90.2 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 112.8 | -177.7 | -54.6 | 81.5 | 0 | 0 | 0 | 109.2 | E169 I170 I172 R199 V264 F297 T307 V309 | E169-I299 CarbonylContact C-O 3.57Å; E169-I299 WeakPolarHBondContact CA-O 3.19Å; I170-I299 HydrophobicContact CB-CB 4.2Å; I170-I299 PolarHBondContact N-O 2.96Å; I170-I299 WeakPolarHBondContact O-CD1 3.17Å; I170-I299 PolarHBondContact O-N 3.41Å; I172-I299 HydrophobicContact CB-CD1 4.49Å; I172-I299 HydrophobicContact CD1-CD1 3.76Å; I172-I299 HydrophobicContact CG1-CD1 3.95Å; R199-I299 HydrophobicContact CB-CG2 4.04Å; V264-I299 HydrophobicContact CG1-CD1 3.89Å; V264-I299 HydrophobicContact CG1-CG1 3.68Å; V264-I299 HydrophobicContact CG2-CG1 4Å; F297-I299 HydrophobicContact CB-CD1 4.12Å; I299-T307 HydrophobicContact CG2-CG2 4.01Å; I299-V309 HydrophobicContact CD1-CG1 4.03Å; I299-V309 HydrophobicContact CG1-CG1 3.83Å |
| 300 | E | 90.9 | Very high | 90.3 | Very high | 52 Ų | 52 | 33.8 Ų | 33.8 | 24% | 0.243 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 131.6 | 170.1 | -155.1 | -164.2 | 121.4 | 0 | 0 | 111 | K109 N167 S168 | K109-E300 WeakPolarHBondContact CD-OE1 3.47Å; K109-E300 WeakPolarHBondContact CE-OE1 3.24Å; K109-E300 WeakPolarHBondContact CE-OE2 3.33Å; K109-E300 IonicContact NZ-OE1 2.77Å; K109-E300 PolarHBondContact NZ-OE1 2.68Å; K109-E300 IonicContact NZ-OE2 3.67Å; K109-E300 PolarHBondContact NZ-OE2 2.81Å; N167-E300 HydrophobicContact CB-CG 4.01Å; N167-E300 WeakPolarHBondContact CB-OE1 3.41Å; N167-E300 PolarHBondContact ND2-OE1 3.27Å; S168-E300 WeakPolarHBondContact O-CA 3.06Å |
| 301 | T | 88.7 | Confident | 90.7 | Very high | 6 Ų | 6 | 29.2 Ų | 29.2 | 4% | 0.037 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 147.5 | -178 | -169.8 | 0 | 0 | 0 | 0 | 112.7 | S168 I170 D303 V304 T307 | S168-T301 PolarHBondContact N-O 2.77Å; S168-T301 PolarHBondContact O-N 2.82Å; I170-T301 HydrophobicContact CD1-CG2 3.95Å; I170-T301 HydrophobicContact CG1-CG2 4.31Å; T301-D303 PolarHBondContact OG1-N 2.93Å; T301-D303 VanDerWaalsContact OG1-N 3.11Å; T301-D303 PolarHBondContact OG1-O 2.96Å; T301-V304 HydrophobicContact CG2-CB 4.5Å; T301-V304 HydrophobicContact CG2-CG2 3.8Å; T301-T307 WeakPolarHBondContact CB-OG1 3.47Å; T301-T307 HydrophobicContact CG2-CG2 4.34Å; T301-T307 PolarHBondContact OG1-OG1 3.36Å |
| 302 | S | 85.3 | Confident | 91.5 | Very high | 79 Ų | 79 | 24.2 Ų | 24.2 | 55% | 0.552 | 14% | 0.138 | S | C | * | . | S | Bend | trans | -96.2 | -4.4 | 167.9 | 58.7 | 0 | 0 | 0 | 0 | 112.7 | ||
| 303 | D | 86.8 | Confident | 92.2 | Very high | 50 Ų | 50 | 22.7 Ų | 22.7 | 27% | 0.267 | 12% | 0.122 | S | C | . | . | trans | -131.2 | 74.7 | -177.5 | -175.2 | -2.2 | 0 | 0 | 0 | 109.8 | T301 E305 N306 T307 | T301-D303 PolarHBondContact OG1-N 2.93Å; T301-D303 VanDerWaalsContact OG1-N 3.11Å; T301-D303 PolarHBondContact OG1-O 2.96Å; D303-E305 VanDerWaalsContact C-N 3.31Å; D303-E305 PolarHBondContact O-N 3.4Å; D303-N306 VanDerWaalsContact CG-ND2 3.32Å; D303-N306 PolarHBondContact OD1-N 3.4Å; D303-N306 PolarHBondContact OD1-ND2 2.89Å; D303-N306 WeakPolarHBondContact OD2-CB 3.14Å; D303-N306 PolarHBondContact OD2-ND2 2.82Å; D303-T307 WeakPolarHBondContact O-CB 3.14Å; D303-T307 PolarHBondContact O-N 2.73Å; D303-T307 PolarHBondContact O-OG1 2.91Å | ||
| 304 | V | 90.4 | Very high | 92.5 | Very high | 13 Ų | 13 | 23 Ų | 23 | 8% | 0.079 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -41.2 | -177.7 | 174.5 | 0 | 0 | 0 | 0 | 111.4 | I170 T301 N306 T307 I372 Y374 | I170-V304 HydrophobicContact CD1-CG1 4.36Å; T301-V304 HydrophobicContact CG2-CB 4.5Å; T301-V304 HydrophobicContact CG2-CG2 3.8Å; V304-N306 VanDerWaalsContact C-N 3.27Å; V304-N306 PolarHBondContact O-N 2.73Å; V304-T307 PolarHBondContact O-N 3.02Å; V304-I372 HydrophobicContact CG1-CD1 3.79Å; V304-I372 HydrophobicContact CG1-CG2 3.74Å; V304-I372 HydrophobicContact CG2-CG2 4.2Å; V304-Y374 HydrophobicContact CB-CE1 4.3Å; V304-Y374 HydrophobicContact CG2-CE1 3.84Å |
| 305 | E | 88.2 | Confident | 92.5 | Very high | 147 Ų | 147 | 23.2 Ų | 23.2 | 69% | 0.687 | 12% | 0.123 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -35.9 | -174.5 | -64.1 | -179.9 | -179.7 | 0 | 0 | 112.5 | D303 P343 | D303-E305 VanDerWaalsContact C-N 3.31Å; D303-E305 PolarHBondContact O-N 3.4Å; E305-P343 WeakPolarHBondContact O-CB 3.47Å |
| 306 | N | 88 | Confident | 92.3 | Very high | 47 Ų | 47 | 24.1 Ų | 24.1 | 25% | 0.251 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -1.1 | -179.3 | -59.5 | -57.8 | 0 | 0 | 0 | 113.9 | V201 L202 D303 V304 S308 | V201-N306 WeakPolarHBondContact CA-O 3.4Å; V201-N306 HydrophobicContact CG1-CB 3.92Å; L202-N306 HydrophobicContact CB-CB 4.45Å; L202-N306 PolarHBondContact N-O 3.43Å; L202-N306 WeakPolarHBondContact O-CB 3.36Å; D303-N306 VanDerWaalsContact CG-ND2 3.32Å; D303-N306 PolarHBondContact OD1-N 3.4Å; D303-N306 PolarHBondContact OD1-ND2 2.89Å; D303-N306 WeakPolarHBondContact OD2-CB 3.14Å; D303-N306 PolarHBondContact OD2-ND2 2.82Å; V304-N306 VanDerWaalsContact C-N 3.27Å; V304-N306 PolarHBondContact O-N 2.73Å; N306-S308 PolarHBondContact O-N 2.49Å |
| 307 | T | 90.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 125.8 | -179.4 | -66.9 | 0 | 0 | 0 | 0 | 110.8 | I170 I299 T301 D303 V304 | I170-T307 HydrophobicContact CD1-CG2 3.88Å; I299-T307 HydrophobicContact CG2-CG2 4.01Å; T301-T307 WeakPolarHBondContact CB-OG1 3.47Å; T301-T307 HydrophobicContact CG2-CG2 4.34Å; T301-T307 PolarHBondContact OG1-OG1 3.36Å; D303-T307 WeakPolarHBondContact O-CB 3.14Å; D303-T307 PolarHBondContact O-N 2.73Å; D303-T307 PolarHBondContact O-OG1 2.91Å; V304-T307 PolarHBondContact O-N 3.02Å |
| 308 | S | 92.1 | Very high | 91.1 | Very high | 14 Ų | 14 | 31.7 Ų | 31.7 | 10% | 0.098 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 160.5 | 172.5 | -62.2 | 0 | 0 | 0 | 0 | 110.5 | R199 Y200 N306 F341 G342 | R199-S308 WeakPolarHBondContact CA-O 3.45Å; Y200-S308 PolarHBondContact N-O 2.82Å; Y200-S308 PolarHBondContact O-N 3.48Å; Y200-S308 VanDerWaalsContact O-O 3.13Å; N306-S308 PolarHBondContact O-N 2.49Å; S308-F341 CarbonylContact C-O 3.48Å; S308-F341 WeakPolarHBondContact CA-O 3.25Å; S308-F341 WeakPolarHBondContact CB-O 3.37Å; S308-G342 VanDerWaalsContact OG-C 3.29Å |
| 309 | V | 93.9 | Very high | 89.8 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 155.5 | 177.9 | -57.5 | 0 | 0 | 0 | 0 | 112.3 | I172 S198 I299 R340 F341 | I172-V309 HydrophobicContact CD1-CB 4.01Å; I172-V309 HydrophobicContact CD1-CG1 3.61Å; I172-V309 HydrophobicContact CD1-CG2 3.23Å; S198-V309 CarbonylContact O-C 3.45Å; S198-V309 VanDerWaalsContact O-CA 3.25Å; S198-V309 WeakPolarHBondContact O-CA 3.5Å; I299-V309 HydrophobicContact CD1-CG1 4.03Å; I299-V309 HydrophobicContact CG1-CG1 3.83Å; V309-R340 CarbonylContact O-C 3.56Å; V309-R340 VanDerWaalsContact O-CA 3.29Å; V309-R340 WeakPolarHBondContact O-CA 3.39Å; V309-F341 HydrophobicContact CG2-CB 3.86Å; V309-F341 HydrophobicContact CG2-CD2 4.29Å; V309-F341 PolarHBondContact N-O 2.92Å; V309-F341 PolarHBondContact O-N 2.86Å |
| 310 | E | 95.3 | Very high | 88 | Confident | 10 Ų | 10 | 40.6 Ų | 40.6 | 5% | 0.047 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 116.8 | 169.1 | -171.3 | 176.4 | -114.8 | 0 | 0 | 109.1 | C197 S198 Y200 Q312 R340 | C197-E310 WeakPolarHBondContact CA-O 3.47Å; S198-E310 PolarHBondContact N-O 2.92Å; S198-E310 PolarHBondContact O-N 2.84Å; Y200-E310 HydrophobicContact CE2-CB 3.68Å; Y200-E310 PolarHBondContact OH-OE2 3.44Å; E310-Q312 HydrophobicContact CG-CG 3.96Å; E310-Q312 PolarHBondContact OE2-NE2 3.11Å; E310-R340 HydrophobicContact CB-CG 4.07Å; E310-R340 HydrophobicContact CG-CG 3.87Å; E310-R340 IonicContact OE1-CZ 3.54Å; E310-R340 IonicContact OE1-NE 3.51Å; E310-R340 PolarHBondContact OE1-NE 3.29Å; E310-R340 IonicContact OE1-NH2 2.91Å; E310-R340 PolarHBondContact OE1-NH2 3.19Å |
| 311 | I | 96 | Very high | 86.1 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 123.9 | 172.8 | -62.1 | 176.9 | 0 | 0 | 0 | 107.8 | I172 M174 V195 A196 C197 F297 F313 S338 A339 F341 L366 V368 | I172-I311 HydrophobicContact CG2-CD1 4.09Å; M174-I311 HydrophobicContact CG-CD1 4.4Å; M174-I311 HydrophobicContact SD-CD1 4.16Å; M174-I311 HydrophobicContact SD-CG2 3.93Å; V195-I311 HydrophobicContact CG2-CG2 3.57Å; A196-I311 CarbonylContact O-C 3.53Å; A196-I311 WeakPolarHBondContact O-CA 3.41Å; C197-I311 HydrophobicContact CB-CG1 4.48Å; F297-I311 HydrophobicContact CD2-CD1 4.09Å; F297-I311 HydrophobicContact CD2-CG1 4.43Å; F297-I311 HydrophobicContact CE2-CD1 3.79Å; F297-I311 HydrophobicContact CE2-CG1 4.09Å; F297-I311 HydrophobicContact CE2-CG2 4.38Å; F297-I311 HydrophobicContact CZ-CG2 4.48Å; I311-F313 HydrophobicContact CG2-CE2 3.99Å; I311-F313 HydrophobicContact CG2-CZ 4.07Å; I311-S338 CarbonylContact O-C 3.4Å; I311-S338 WeakPolarHBondContact O-CA 3.33Å; I311-S338 WeakPolarHBondContact O-CB 3.41Å; I311-A339 PolarHBondContact N-O 3.42Å; I311-A339 PolarHBondContact O-N 2.79Å; I311-F341 HydrophobicContact CD1-CD2 4.11Å; I311-F341 HydrophobicContact CD1-CE2 3.87Å; I311-F341 HydrophobicContact CG1-CD2 4.42Å; I311-F341 HydrophobicContact CG1-CE2 4.37Å; I311-L366 HydrophobicContact CB-CD2 3.97Å; I311-L366 HydrophobicContact CD1-CD2 3.95Å; I311-L366 HydrophobicContact CG2-CD2 3.86Å; I311-V368 HydrophobicContact CD1-CG1 3.89Å |
| 312 | Q | 96 | Very high | 84.3 | Confident | 5 Ų | 5 | 47.4 Ų | 47.4 | 2% | 0.023 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 139.3 | -170.2 | -60.9 | 164 | -19.1 | 0 | 0 | 110 | V195 A196 E310 Y314 F335 | V195-Q312 WeakPolarHBondContact CA-O 3.42Å; A196-Q312 PolarHBondContact N-O 3.48Å; A196-Q312 PolarHBondContact O-N 2.88Å; E310-Q312 HydrophobicContact CG-CG 3.96Å; E310-Q312 PolarHBondContact OE2-NE2 3.11Å; Q312-Y314 HydrophobicContact CB-CD2 4.37Å; Q312-Y314 HydrophobicContact CB-CE2 3.55Å; Q312-Y314 PolarHBondContact OE1-OH 2.8Å; Q312-F335 HydrophobicContact CB-CE2 4.25Å; Q312-F335 HydrophobicContact CG-CE2 4.46Å |
| 313 | F | 95.2 | Very high | 82.2 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 134.4 | 179.5 | -65.3 | -87.2 | 0 | 0 | 0 | 111.4 | M174 F181 L193 F194 V195 Y289 I311 I336 G337 I355 L366 | M174-F313 HydrophobicContact CE-CE1 3.93Å; M174-F313 HydrophobicContact CE-CZ 3.75Å; M174-F313 HydrophobicContact SD-CZ 4.45Å; F181-F313 HydrophobicContact CE2-CD1 4.41Å; F181-F313 HydrophobicContact CZ-CB 4.08Å; F181-F313 AromaticContact CZ-CD1 3.85Å; F181-F313 HydrophobicContact CZ-CD1 3.85Å; F181-F313 HydrophobicContact CZ-CD2 4.12Å; F181-F313 HydrophobicContact CZ-CE1 4.3Å; F181-F313 AromaticContact CZ-CG 3.75Å; F181-F313 HydrophobicContact CZ-CG 3.75Å; L193-F313 HydrophobicContact CD1-CB 4.32Å; L193-F313 HydrophobicContact CD2-CD1 4.43Å; F194-F313 WeakPolarHBondContact O-CA 3.46Å; V195-F313 HydrophobicContact CB-CD1 4.26Å; V195-F313 HydrophobicContact CB-CE1 4.13Å; V195-F313 HydrophobicContact CG2-CD1 4.11Å; V195-F313 HydrophobicContact CG2-CE1 3.71Å; V195-F313 HydrophobicContact CG2-CZ 4.09Å; Y289-F313 HydrophobicContact CD1-CE1 4.15Å; Y289-F313 HydrophobicContact CE1-CE1 4.22Å; I311-F313 HydrophobicContact CG2-CE2 3.99Å; I311-F313 HydrophobicContact CG2-CZ 4.07Å; F313-I336 HydrophobicContact CB-CB 4.23Å; F313-I336 PolarHBondContact O-N 3.03Å; F313-G337 PolarHBondContact N-O 2.74Å; F313-I355 HydrophobicContact CD2-CD1 4.2Å; F313-I355 HydrophobicContact CD2-CG2 4.14Å; F313-I355 HydrophobicContact CE2-CD1 3.8Å; F313-I355 HydrophobicContact CE2-CG1 4.26Å; F313-I355 HydrophobicContact CZ-CD1 4.38Å; F313-L366 HydrophobicContact CE2-CD2 4.03Å; F313-L366 HydrophobicContact CZ-CD1 4.28Å; F313-L366 HydrophobicContact CZ-CD2 4.15Å |
| 314 | Y | 94.7 | Very high | 80.4 | Confident | 28 Ų | 28 | 56.3 Ų | 56.3 | 11% | 0.11 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 139.9 | -176.9 | -64.3 | -93.6 | 0 | 0 | 0 | 111.4 | L193 F194 A196 C284 Q312 L333 K334 F335 | L193-Y314 CarbonylContact C-O 3.56Å; L193-Y314 WeakPolarHBondContact CA-O 3.39Å; L193-Y314 WeakPolarHBondContact CD1-O 3.38Å; F194-Y314 PolarHBondContact N-O 2.69Å; F194-Y314 PolarHBondContact O-N 3.29Å; A196-Y314 HydrophobicContact CB-CE2 4.24Å; C284-Y314 HydrophobicContact CB-CD1 4.23Å; C284-Y314 HydrophobicContact CB-CD2 3.68Å; C284-Y314 HydrophobicContact CB-CE1 4.11Å; C284-Y314 HydrophobicContact CB-CE2 3.55Å; C284-Y314 HydrophobicContact CB-CG 4.03Å; Q312-Y314 HydrophobicContact CB-CD2 4.37Å; Q312-Y314 HydrophobicContact CB-CE2 3.55Å; Q312-Y314 PolarHBondContact OE1-OH 2.8Å; Y314-L333 HydrophobicContact CD1-CD2 3.61Å; Y314-L333 HydrophobicContact CD1-CG 3.92Å; Y314-L333 HydrophobicContact CE1-CD2 4.38Å; Y314-L333 HydrophobicContact CG-CD2 3.73Å; Y314-L333 HydrophobicContact CG-CG 4.1Å; Y314-K334 CarbonylContact C-O 3.56Å; Y314-K334 WeakPolarHBondContact CA-O 3.48Å; Y314-F335 HydrophobicContact CD1-CB 4.18Å; Y314-F335 HydrophobicContact CD1-CD2 4.25Å; Y314-F335 HydrophobicContact CE1-CB 4.09Å; Y314-F335 AromaticContact CE1-CD2 3.78Å; Y314-F335 HydrophobicContact CE1-CD2 3.78Å; Y314-F335 HydrophobicContact CE1-CG 4.43Å; Y314-F335 HydrophobicContact CE2-CD2 4.48Å; Y314-F335 AromaticContact CZ-CD2 3.9Å |
| 315 | Q | 92.8 | Very high | 78.2 | Confident | 13 Ų | 13 | 62.9 Ų | 62.9 | 6% | 0.061 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 135.6 | -179.4 | -171.7 | 179.1 | 33.1 | 0 | 0 | 110.5 | N185 V186 T191 Q192 K334 I336 | N185-Q315 PolarHBondContact O-NE2 2.97Å; V186-Q315 PolarHBondContact O-NE2 3.33Å; T191-Q315 HydrophobicContact CG2-CG 3.97Å; Q192-Q315 CarbonylContact O-C 3.56Å; Q192-Q315 WeakPolarHBondContact O-CA 3.24Å; Q315-K334 PolarHBondContact N-O 3.19Å; Q315-K334 WeakPolarHBondContact O-CB 3.39Å; Q315-K334 PolarHBondContact O-N 2.8Å; Q315-I336 HydrophobicContact CB-CD1 3.67Å; Q315-I336 HydrophobicContact CB-CG1 3.78Å |
| 316 | Q | 91.3 | Very high | 76.4 | Confident | 18 Ų | 18 | 64.8 Ų | 64.8 | 8% | 0.084 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 132 | 172.3 | -169.8 | 169.1 | 43.5 | 0 | 0 | 109.6 | T191 Q192 F194 N331 L333 | T191-Q316 CarbonylContact C-O 3.53Å; T191-Q316 VanDerWaalsContact CA-O 3.23Å; T191-Q316 WeakPolarHBondContact CA-O 3.32Å; Q192-Q316 PolarHBondContact N-O 2.84Å; Q192-Q316 PolarHBondContact O-N 3.49Å; F194-Q316 HydrophobicContact CE2-CB 4.02Å; Q316-N331 WeakPolarHBondContact CG-O 3.26Å; Q316-N331 PolarHBondContact NE2-O 2.84Å; Q316-L333 HydrophobicContact CB-CD1 4.02Å |
| 317 | H | 86.9 | Confident | 74.3 | Confident | 96 Ų | 96 | 71.1 Ų | 71.1 | 44% | 0.444 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 131.1 | 174.8 | -82.6 | -77.5 | 0 | 0 | 0 | 110.8 | H190 T191 N331 | H190-H317 CarbonylContact O-C 3.51Å; H190-H317 WeakPolarHBondContact O-CA 3.16Å; T191-H317 WeakPolarHBondContact CG2-CE1 3.43Å; T191-H317 VanDerWaalsContact CG2-ND1 3.26Å; T191-H317 WeakPolarHBondContact CG2-ND1 3.43Å; H317-N331 HydrophobicContact CB-CB 4.38Å; H317-N331 WeakPolarHBondContact O-CB 3.43Å; H317-N331 PolarHBondContact O-ND2 2.82Å |
| 318 | L | 80.9 | Confident | 72.3 | Confident | 74 Ų | 74 | 73.9 Ų | 73.9 | 39% | 0.387 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -84 | 129.5 | 172.9 | -66.7 | 169 | 0 | 0 | 0 | 109.3 | H190 Q192 | H190-L318 PolarHBondContact O-N 3.18Å; Q192-L318 HydrophobicContact CG-CD1 3.97Å; Q192-L318 HydrophobicContact CG-CD2 4.1Å; Q192-L318 HydrophobicContact CG-CG 4.1Å |
| 319 | E | 68.5 | Low | 70.6 | Confident | 110 Ų | 110 | 77.8 Ų | 77.8 | 51% | 0.514 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -69 | 136.8 | 170.8 | -65 | -170.5 | 166.6 | 0 | 0 | 110.2 | S328 | E319-S328 WeakPolarHBondContact OE1-CB 3.49Å; E319-S328 PolarHBondContact OE1-OG 3.21Å; E319-S328 WeakPolarHBondContact OE2-CB 3.44Å; E319-S328 PolarHBondContact OE2-OG 3.33Å |
| 320 | S | 56.9 | Low | 69.2 | Low | 88 Ų | 88 | 82.3 Ų | 82.3 | 62% | 0.615 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 139.7 | 172.7 | -55.7 | 0 | 0 | 0 | 0 | 109.7 | G322 | S320-G322 PolarHBondContact O-N 2.96Š|
| 321 | P | 49.8 | Very low | 68.1 | Low | 145 Ų | 145 | 84.2 Ų | 84.2 | 94% | 0.942 | 48% | 0.481 | S | S | * | . | trans | -70.2 | 83.8 | 173.9 | 28.2 | -31.2 | 0 | 0 | 0 | 109.3 | ||||
| 322 | G | 50.5 | Low | 67.5 | Low | 56 Ų | 56 | 89.2 Ų | 89.2 | 58% | 0.577 | 51% | 0.513 | S | S | * | . | trans | -116.2 | 101.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | S320 D324 | S320-G322 PolarHBondContact O-N 2.96Å; G322-D324 VanDerWaalsContact C-N 3.26Å; G322-D324 PolarHBondContact O-N 2.99Å | ||
| 323 | N | 41.7 | Very low | 67.3 | Low | 169 Ų | 169 | 90.1 Ų | 90.1 | 90% | 0.904 | 52% | 0.518 | S | S | * | . | S | Bend | trans | 22.3 | 6.5 | 157.8 | -93.7 | 3.3 | 0 | 0 | 0 | 125.1 | ||
| 324 | D | 49.2 | Very low | 67.2 | Low | 147 Ų | 147 | 96.1 Ų | 96.1 | 79% | 0.786 | 54% | 0.544 | S | S | * | . | trans | -110.9 | 118.5 | 179.8 | -77.6 | -26.9 | 0 | 0 | 0 | 112.2 | G322 K326 | G322-D324 VanDerWaalsContact C-N 3.26Å; G322-D324 PolarHBondContact O-N 2.99Å; D324-K326 PolarHBondContact O-N 3.07Å | ||
| 325 | T | 43.8 | Very low | 67.1 | Low | 152 Ų | 152 | 97.7 Ų | 97.7 | 93% | 0.933 | 55% | 0.551 | S | S | * | * | trans | -73 | 38 | -176.8 | 41.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 326 | K | 50.1 | Low | 67.2 | Low | 186 Ų | 186 | 98.1 Ų | 98.1 | 81% | 0.809 | 55% | 0.554 | S | S | * | * | trans | -111.7 | 118.6 | 172.2 | -78.1 | -176.7 | 177.7 | 177.9 | 0 | 109.6 | D324 S328 | D324-K326 PolarHBondContact O-N 3.07Å; K326-S328 VanDerWaalsContact C-N 3.3Å; K326-S328 PolarHBondContact O-N 2.92Å | ||
| 327 | I | 44.5 | Very low | 67.3 | Low | 181 Ų | 181 | 97.2 Ų | 97.2 | 93% | 0.928 | 55% | 0.55 | S | S | * | . | trans | -58.4 | 94.2 | 169.9 | -59.3 | 167 | 0 | 0 | 0 | 107.4 | ||||
| 328 | S | 49.3 | Very low | 67.8 | Low | 58 Ų | 58 | 93.5 Ų | 93.5 | 41% | 0.406 | 54% | 0.535 | S | S | . | . | P | Polyproline II helix | trans | -75.3 | 135.4 | 169.1 | 35.8 | 0 | 0 | 0 | 0 | 108.1 | E319 K326 | E319-S328 WeakPolarHBondContact OE1-CB 3.49Å; E319-S328 PolarHBondContact OE1-OG 3.21Å; E319-S328 WeakPolarHBondContact OE2-CB 3.44Å; E319-S328 PolarHBondContact OE2-OG 3.33Å; K326-S328 VanDerWaalsContact C-N 3.3Å; K326-S328 PolarHBondContact O-N 2.92Å |
| 329 | S | 55.8 | Low | 68.5 | Low | 96 Ų | 96 | 90.1 Ų | 90.1 | 67% | 0.671 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 140.1 | 170 | 48 | 0 | 0 | 0 | 0 | 109.7 | N331 | S329-N331 PolarHBondContact O-N 3.48Š|
| 330 | P | 63.4 | Low | 69.8 | Low | 97 Ų | 97 | 93.6 Ų | 93.6 | 63% | 0.63 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -53.3 | 140.1 | 177 | 21.8 | -31.6 | 0 | 0 | 0 | 110.4 | ||
| 331 | N | 72.6 | Confident | 71.5 | Confident | 50 Ų | 50 | 89.9 Ų | 89.9 | 27% | 0.267 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 142 | 177.9 | -80.5 | -44.7 | 0 | 0 | 0 | 110.3 | Q316 H317 S329 | Q316-N331 WeakPolarHBondContact CG-O 3.26Å; Q316-N331 PolarHBondContact NE2-O 2.84Å; H317-N331 HydrophobicContact CB-CB 4.38Å; H317-N331 WeakPolarHBondContact O-CB 3.43Å; H317-N331 PolarHBondContact O-ND2 2.82Å; S329-N331 PolarHBondContact O-N 3.48Å |
| 332 | P | 84.7 | Confident | 73.2 | Confident | 104 Ų | 104 | 84.5 Ų | 84.5 | 68% | 0.675 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 141.9 | -176.2 | 25.9 | -34.5 | 0 | 0 | 0 | 111 | K334 | P332-K334 PolarHBondContact O-N 3.32Š|
| 333 | L | 90.8 | Very high | 74.8 | Confident | 25 Ų | 25 | 85.2 Ų | 85.2 | 13% | 0.131 | 46% | 0.464 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 125 | 177.7 | -167.2 | 71.8 | 0 | 0 | 0 | 110.5 | F194 E283 C284 Y314 Q316 | F194-L333 HydrophobicContact CD2-CD1 3.83Å; F194-L333 HydrophobicContact CE2-CD1 4.33Å; E283-L333 HydrophobicContact CB-CB 4.4Å; E283-L333 HydrophobicContact CB-CD2 3.93Å; E283-L333 WeakPolarHBondContact OE2-CB 3.35Å; C284-L333 HydrophobicContact CB-CD2 3.58Å; C284-L333 VanDerWaalsContact SG-CD2 3.54Å; Y314-L333 HydrophobicContact CD1-CD2 3.61Å; Y314-L333 HydrophobicContact CD1-CG 3.92Å; Y314-L333 HydrophobicContact CE1-CD2 4.38Å; Y314-L333 HydrophobicContact CG-CD2 3.73Å; Y314-L333 HydrophobicContact CG-CG 4.1Å; Q316-L333 HydrophobicContact CB-CD1 4.02Å |
| 334 | K | 92.1 | Very high | 77 | Confident | 125 Ų | 125 | 78 Ų | 78 | 54% | 0.543 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 120.8 | -178.4 | -178.2 | -176.9 | 176.9 | -175.9 | 0 | 111.3 | Y314 Q315 P332 I336 | Y314-K334 CarbonylContact C-O 3.56Å; Y314-K334 WeakPolarHBondContact CA-O 3.48Å; Q315-K334 PolarHBondContact N-O 3.19Å; Q315-K334 WeakPolarHBondContact O-CB 3.39Å; Q315-K334 PolarHBondContact O-N 2.8Å; P332-K334 PolarHBondContact O-N 3.32Å; K334-I336 PolarHBondContact O-N 2.83Å |
| 335 | F | 94.1 | Very high | 78.7 | Confident | 61 Ų | 61 | 76.7 Ų | 76.7 | 27% | 0.268 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 129.3 | 171 | -179.4 | -106.3 | 0 | 0 | 0 | 111.5 | Q312 Y314 G337 S358 | Q312-F335 HydrophobicContact CB-CE2 4.25Å; Q312-F335 HydrophobicContact CG-CE2 4.46Å; Y314-F335 HydrophobicContact CD1-CB 4.18Å; Y314-F335 HydrophobicContact CD1-CD2 4.25Å; Y314-F335 HydrophobicContact CE1-CB 4.09Å; Y314-F335 AromaticContact CE1-CD2 3.78Å; Y314-F335 HydrophobicContact CE1-CD2 3.78Å; Y314-F335 HydrophobicContact CE1-CG 4.43Å; Y314-F335 HydrophobicContact CE2-CD2 4.48Å; Y314-F335 AromaticContact CZ-CD2 3.9Å; F335-G337 WeakPolarHBondContact CE2-O 3.38Å; F335-G337 VanDerWaalsContact CZ-CA 3.43Å; F335-S358 WeakPolarHBondContact CD1-OG 3.32Å |
| 336 | I | 93.9 | Very high | 81 | Confident | 22 Ų | 22 | 74.3 Ų | 74.3 | 11% | 0.113 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | -48 | 178.9 | -60.7 | -62 | 0 | 0 | 0 | 110.5 | F181 L193 F313 Q315 K334 N357 | F181-I336 HydrophobicContact CD1-CG2 4.24Å; F181-I336 HydrophobicContact CE1-CG2 3.69Å; F181-I336 HydrophobicContact CZ-CG2 4.45Å; L193-I336 HydrophobicContact CD1-CG1 4.49Å; F313-I336 HydrophobicContact CB-CB 4.23Å; F313-I336 PolarHBondContact O-N 3.03Å; Q315-I336 HydrophobicContact CB-CD1 3.67Å; Q315-I336 HydrophobicContact CB-CG1 3.78Å; K334-I336 PolarHBondContact O-N 2.83Å; I336-N357 WeakPolarHBondContact O-CB 3.39Å |
| 337 | G | 94.8 | Very high | 83.2 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170 | 176.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F313 F335 L356 | F313-G337 PolarHBondContact N-O 2.74Å; F335-G337 WeakPolarHBondContact CE2-O 3.38Å; F335-G337 VanDerWaalsContact CZ-CA 3.43Å; G337-L356 CarbonylContact C-O 3.56Å; G337-L356 WeakPolarHBondContact CA-O 3.35Å |
| 338 | S | 96.4 | Very high | 85.6 | Confident | 18 Ų | 18 | 62.7 Ų | 62.7 | 13% | 0.126 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 157.3 | -179.1 | 62 | 0 | 0 | 0 | 0 | 112.1 | I311 I355 L356 | I311-S338 CarbonylContact O-C 3.4Å; I311-S338 WeakPolarHBondContact O-CA 3.33Å; I311-S338 WeakPolarHBondContact O-CB 3.41Å; S338-I355 WeakPolarHBondContact O-CA 3.29Å; S338-L356 PolarHBondContact N-O 2.83Å; S338-L356 PolarHBondContact O-N 2.83Å |
| 339 | A | 96.3 | Very high | 87.7 | Confident | 2 Ų | 2 | 61 Ų | 61 | 2% | 0.017 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 133.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | I311 F341 A353 I355 L366 | I311-A339 PolarHBondContact N-O 3.42Å; I311-A339 PolarHBondContact O-N 2.79Å; A339-F341 HydrophobicContact CB-CE2 3.96Å; A339-F341 HydrophobicContact CB-CZ 4.2Å; A339-A353 HydrophobicContact CB-CB 4.12Å; A339-I355 HydrophobicContact CB-CG1 4.44Å; A339-L366 HydrophobicContact CB-CB 4.23Å; A339-L366 HydrophobicContact CB-CD2 4.01Å |
| 340 | R | 94.7 | Very high | 89.5 | Confident | 184 Ų | 184 | 64.6 Ų | 64.6 | 69% | 0.694 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 139.3 | -179.8 | -67.4 | -179.2 | -176.1 | 152.1 | 3.6 | 111 | V309 E310 | V309-R340 CarbonylContact O-C 3.56Å; V309-R340 VanDerWaalsContact O-CA 3.29Å; V309-R340 WeakPolarHBondContact O-CA 3.39Å; E310-R340 HydrophobicContact CB-CG 4.07Å; E310-R340 HydrophobicContact CG-CG 3.87Å; E310-R340 IonicContact OE1-CZ 3.54Å; E310-R340 IonicContact OE1-NE 3.51Å; E310-R340 PolarHBondContact OE1-NE 3.29Å; E310-R340 IonicContact OE1-NH2 2.91Å; E310-R340 PolarHBondContact OE1-NH2 3.19Å |
| 341 | F | 93.8 | Very high | 90.9 | Very high | 9 Ų | 9 | 63.5 Ų | 63.5 | 4% | 0.039 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 147.4 | 174.5 | -57.5 | -85 | 0 | 0 | 0 | 109.5 | S308 V309 I311 A339 F344 K351 A353 L366 V368 | S308-F341 CarbonylContact C-O 3.48Å; S308-F341 WeakPolarHBondContact CA-O 3.25Å; S308-F341 WeakPolarHBondContact CB-O 3.37Å; V309-F341 HydrophobicContact CG2-CB 3.86Å; V309-F341 HydrophobicContact CG2-CD2 4.29Å; V309-F341 PolarHBondContact N-O 2.92Å; V309-F341 PolarHBondContact O-N 2.86Å; I311-F341 HydrophobicContact CD1-CD2 4.11Å; I311-F341 HydrophobicContact CD1-CE2 3.87Å; I311-F341 HydrophobicContact CG1-CD2 4.42Å; I311-F341 HydrophobicContact CG1-CE2 4.37Å; A339-F341 HydrophobicContact CB-CE2 3.96Å; A339-F341 HydrophobicContact CB-CZ 4.2Å; F341-F344 HydrophobicContact CB-CE1 4.22Å; F341-F344 HydrophobicContact CB-CZ 4.12Å; F341-K351 HydrophobicContact CD1-CB 3.74Å; F341-K351 HydrophobicContact CE1-CB 4.08Å; F341-A353 HydrophobicContact CD1-CB 4.42Å; F341-A353 HydrophobicContact CE1-CB 3.74Å; F341-A353 HydrophobicContact CZ-CB 3.89Å; F341-L366 HydrophobicContact CE2-CD2 3.72Å; F341-L366 HydrophobicContact CE2-CG 4.28Å; F341-L366 HydrophobicContact CZ-CB 4.29Å; F341-L366 HydrophobicContact CZ-CD2 3.91Å; F341-L366 HydrophobicContact CZ-CG 3.95Å; F341-V368 HydrophobicContact CD1-CG2 3.58Å; F341-V368 HydrophobicContact CD2-CG1 4.43Å; F341-V368 HydrophobicContact CD2-CG2 4.31Å; F341-V368 HydrophobicContact CE1-CB 4.5Å; F341-V368 HydrophobicContact CE1-CG1 4.24Å; F341-V368 HydrophobicContact CE1-CG2 3.54Å; F341-V368 HydrophobicContact CE2-CG1 3.85Å; F341-V368 HydrophobicContact CE2-CG2 4.29Å; F341-V368 HydrophobicContact CG-CG2 3.97Å; F341-V368 HydrophobicContact CZ-CB 4.46Å; F341-V368 HydrophobicContact CZ-CG1 3.73Å; F341-V368 HydrophobicContact CZ-CG2 3.92Å |
| 342 | G | 85.8 | Confident | 92 | Very high | 33 Ų | 33 | 64.8 Ų | 64.8 | 34% | 0.34 | 34% | 0.34 | S | S | . | . | trans | 102.4 | 162 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S308 | S308-G342 VanDerWaalsContact OG-C 3.29Š| ||
| 343 | P | 82.8 | Confident | 92.5 | Very high | 70 Ų | 70 | 61.2 Ų | 61.2 | 46% | 0.455 | 32% | 0.319 | S | S | . | . | cis | -63.2 | 151.7 | -7.3 | 28.4 | -35.3 | 0 | 0 | 0 | 112.2 | E305 | E305-P343 WeakPolarHBondContact O-CB 3.47Š| ||
| 344 | F | 88.7 | Confident | 92.8 | Very high | 18 Ų | 18 | 65 Ų | 65 | 8% | 0.079 | 34% | 0.336 | C | S | . | . | trans | -90.1 | 138.3 | -177.9 | -58.9 | -82.8 | 0 | 0 | 0 | 109.6 | I170 I172 F341 Y370 I372 | I170-F344 HydrophobicContact CD1-CD2 4.41Å; I170-F344 HydrophobicContact CD1-CE2 4.46Å; I170-F344 HydrophobicContact CG2-CE2 4.22Å; I172-F344 HydrophobicContact CD1-CE2 4.3Å; I172-F344 HydrophobicContact CD1-CZ 3.66Å; I172-F344 HydrophobicContact CG1-CZ 4.28Å; F341-F344 HydrophobicContact CB-CE1 4.22Å; F341-F344 HydrophobicContact CB-CZ 4.12Å; F344-Y370 HydrophobicContact CB-CD2 4.35Å; F344-Y370 HydrophobicContact CB-CE2 3.91Å; F344-Y370 AromaticContact CD1-CD1 3.87Å; F344-Y370 HydrophobicContact CD1-CD1 3.87Å; F344-Y370 AromaticContact CD1-CD2 3.58Å; F344-Y370 HydrophobicContact CD1-CD2 3.58Å; F344-Y370 HydrophobicContact CD1-CE1 4.03Å; F344-Y370 AromaticContact CD1-CE2 3.75Å; F344-Y370 HydrophobicContact CD1-CE2 3.75Å; F344-Y370 AromaticContact CD1-CG 3.64Å; F344-Y370 HydrophobicContact CD1-CG 3.64Å; F344-Y370 AromaticContact CD1-CZ 3.96Å; F344-Y370 HydrophobicContact CE1-CD1 4.09Å; F344-Y370 HydrophobicContact CE1-CD2 4.15Å; F344-Y370 AromaticContact CE1-CG 3.81Å; F344-Y370 HydrophobicContact CE1-CG 3.81Å; F344-Y370 HydrophobicContact CG-CD2 4.08Å; F344-Y370 HydrophobicContact CG-CE2 4.1Å; F344-I372 HydrophobicContact CB-CD1 3.77Å; F344-I372 HydrophobicContact CG-CD1 4.38Å | ||
| 345 | V | 84.4 | Confident | 93 | Very high | 119 Ų | 119 | 59 Ų | 59 | 72% | 0.721 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -90.9 | -52.8 | -175.3 | 179.2 | 0 | 0 | 0 | 0 | 110.6 | ||
| 346 | D | 92.1 | Very high | 93.1 | Very high | 103 Ų | 103 | 58.8 Ų | 58.8 | 55% | 0.551 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -94.6 | 170.7 | 177.1 | -53.4 | -64 | 0 | 0 | 0 | 111.4 | Y348 Y370 I372 | D346-Y348 VanDerWaalsContact C-N 3.33Å; D346-Y370 WeakPolarHBondContact O-CE2 2.82Å; D346-Y370 PolarHBondContact O-OH 2.96Å; D346-I372 WeakPolarHBondContact O-CD1 3.37Å |
| 347 | T | 95.7 | Very high | 93.2 | Very high | 27 Ų | 27 | 59.7 Ų | 59.7 | 17% | 0.166 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -78.5 | -15.4 | 177.5 | 61.5 | 0 | 0 | 0 | 0 | 113.6 | L371 I372 Y374 E560 | T347-L371 CarbonylContact O-C 3.52Å; T347-I372 WeakPolarHBondContact O-CB 3.27Å; T347-I372 PolarHBondContact O-N 2.8Å; T347-Y374 HydrophobicContact CG2-CE2 3.82Å; T347-E560 WeakPolarHBondContact CB-OE1 3.46Å; T347-E560 VanDerWaalsContact OG1-CD 3.31Å; T347-E560 VanDerWaalsContact OG1-CG 3.32Å; T347-E560 WeakPolarHBondContact OG1-CG 3.32Å; T347-E560 PolarHBondContact OG1-OE1 2.92Å |
| 348 | Y | 95.8 | Very high | 93.1 | Very high | 96 Ų | 96 | 64.7 Ų | 64.7 | 38% | 0.376 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 160.6 | 173.4 | 71.1 | -79.3 | 0 | 0 | 0 | 110 | D346 Y370 Y561 | D346-Y348 VanDerWaalsContact C-N 3.33Å; Y348-Y370 CarbonylContact C-O 3.59Å; Y348-Y370 WeakPolarHBondContact CA-O 3.04Å; Y348-Y561 AromaticContact CD1-CD2 3.57Å; Y348-Y561 HydrophobicContact CD1-CD2 3.57Å; Y348-Y561 AromaticContact CD1-CE2 3.95Å; Y348-Y561 HydrophobicContact CD1-CE2 3.95Å; Y348-Y561 HydrophobicContact CD2-CD2 4.14Å; Y348-Y561 AromaticContact CD2-CE2 3.63Å; Y348-Y561 HydrophobicContact CD2-CE2 3.63Å; Y348-Y561 AromaticContact CE1-CD2 3.88Å; Y348-Y561 HydrophobicContact CE1-CD2 3.88Å; Y348-Y561 HydrophobicContact CE1-CE2 4.16Å; Y348-Y561 HydrophobicContact CE2-CD2 4.4Å; Y348-Y561 AromaticContact CE2-CE2 3.85Å; Y348-Y561 HydrophobicContact CE2-CE2 3.85Å; Y348-Y561 AromaticContact CG-CD2 3.71Å; Y348-Y561 HydrophobicContact CG-CD2 3.71Å; Y348-Y561 AromaticContact CG-CE2 3.68Å; Y348-Y561 HydrophobicContact CG-CE2 3.68Å |
| 349 | G | 92.9 | Very high | 93 | Very high | 23 Ų | 23 | 67.6 Ų | 67.6 | 24% | 0.237 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 159.1 | -160.4 | 173 | 0 | 0 | 0 | 0 | 0 | 114.3 | R369 Y370 | G349-R369 CarbonylContact O-C 3.56Å; G349-R369 WeakPolarHBondContact O-CA 3.08Å; G349-Y370 PolarHBondContact N-O 3.43Å; G349-Y370 WeakPolarHBondContact O-CD1 3.37Å; G349-Y370 PolarHBondContact O-N 3.42Å |
| 350 | R | 93.2 | Very high | 92.8 | Very high | 170 Ų | 170 | 73.2 Ų | 73.2 | 64% | 0.642 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 137 | 178.9 | -68.8 | -178.7 | -80.3 | -151.4 | -3 | 109.5 | V368 R369 E547 | R350-V368 WeakPolarHBondContact CA-O 3.4Å; R350-R369 HydrophobicContact CG-CG 4.06Å; R350-E547 IonicContact CZ-OE1 4Å; R350-E547 IonicContact NH1-OE1 3.2Å; R350-E547 PolarHBondContact NH1-OE1 3.26Å; R350-E547 IonicContact NH1-OE2 3.67Å; R350-E547 IonicContact NH2-OE1 3.18Å |
| 351 | K | 94.2 | Very high | 92.8 | Very high | 75 Ų | 75 | 67 Ų | 67 | 33% | 0.326 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 153.1 | 171.4 | -67 | -71.5 | -176.4 | 178 | 0 | 109.7 | F341 R367 V368 Y370 | F341-K351 HydrophobicContact CD1-CB 3.74Å; F341-K351 HydrophobicContact CE1-CB 4.08Å; K351-R367 CarbonylContact O-C 3.55Å; K351-R367 WeakPolarHBondContact O-CA 3.34Å; K351-V368 HydrophobicContact CB-CG2 4.01Å; K351-V368 PolarHBondContact N-O 3.27Å; K351-V368 PolarHBondContact O-N 3.34Å; K351-Y370 HydrophobicContact CG-CD1 3.98Å; K351-Y370 HydrophobicContact CG-CE1 3.79Å |
| 352 | A | 94.6 | Very high | 93 | Very high | 77 Ų | 77 | 69.5 Ų | 69.5 | 64% | 0.636 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 140.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | L366 R367 | A352-L366 CarbonylContact C-O 3.36Å; A352-L366 VanDerWaalsContact CA-O 3.32Å; A352-L366 WeakPolarHBondContact CA-O 3.3Å; A352-R367 HydrophobicContact CB-CG 4.06Å |
| 353 | A | 95.6 | Very high | 93.4 | Very high | 28 Ų | 28 | 69.6 Ų | 69.6 | 23% | 0.231 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 153.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110 | A339 F341 L366 | A339-A353 HydrophobicContact CB-CB 4.12Å; F341-A353 HydrophobicContact CD1-CB 4.42Å; F341-A353 HydrophobicContact CE1-CB 3.74Å; F341-A353 HydrophobicContact CZ-CB 3.89Å; A353-L366 PolarHBondContact N-O 2.66Å; A353-L366 PolarHBondContact O-N 3.01Å |
| 354 | Q | 96.6 | Very high | 93.9 | Very high | 104 Ų | 104 | 66.2 Ų | 66.2 | 49% | 0.486 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 142.4 | 170.5 | -70.2 | -178.2 | -13.5 | 0 | 0 | 110 | L356 P362 G364 | Q354-L356 HydrophobicContact CB-CD2 4.02Å; Q354-P362 HydrophobicContact CB-CB 4.34Å; Q354-G364 WeakPolarHBondContact CA-O 3.19Å |
| 355 | I | 95.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 117.3 | 168.8 | -53.5 | 172.9 | 0 | 0 | 0 | 107 | F181 F313 S338 A339 P362 V363 G364 L366 | F181-I355 HydrophobicContact CD1-CD1 4.3Å; F181-I355 HydrophobicContact CE1-CD1 3.8Å; F181-I355 HydrophobicContact CE1-CG2 4.25Å; F181-I355 HydrophobicContact CZ-CD1 3.97Å; F313-I355 HydrophobicContact CD2-CD1 4.2Å; F313-I355 HydrophobicContact CD2-CG2 4.14Å; F313-I355 HydrophobicContact CE2-CD1 3.8Å; F313-I355 HydrophobicContact CE2-CG1 4.26Å; F313-I355 HydrophobicContact CZ-CD1 4.38Å; S338-I355 WeakPolarHBondContact O-CA 3.29Å; A339-I355 HydrophobicContact CB-CG1 4.44Å; I355-P362 CarbonylContact O-C 3.55Å; I355-P362 WeakPolarHBondContact O-CA 3.35Å; I355-V363 HydrophobicContact CB-CG2 4.09Å; I355-V363 HydrophobicContact CG2-CG2 3.72Å; I355-V363 WeakPolarHBondContact O-CG2 3.35Å; I355-V363 PolarHBondContact O-N 3.31Å; I355-G364 PolarHBondContact N-O 2.83Å; I355-L366 HydrophobicContact CD1-CB 4.17Å; I355-L366 HydrophobicContact CG1-CB 3.89Å |
| 356 | L | 96.9 | Very high | 94.7 | Very high | 57 Ų | 57 | 62.8 Ų | 62.8 | 30% | 0.298 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 132.8 | -178.3 | -55.5 | -177.3 | 0 | 0 | 0 | 110.6 | G337 S338 Q354 P362 | G337-L356 CarbonylContact C-O 3.56Å; G337-L356 WeakPolarHBondContact CA-O 3.35Å; S338-L356 PolarHBondContact N-O 2.83Å; S338-L356 PolarHBondContact O-N 2.83Å; Q354-L356 HydrophobicContact CB-CD2 4.02Å; L356-P362 HydrophobicContact CD2-CB 4.05Å |
| 357 | N | 95.1 | Very high | 94.8 | Very high | 41 Ų | 41 | 64.9 Ų | 64.9 | 22% | 0.219 | 35% | 0.353 | C | S | . | . | trans | -78.9 | -176.3 | 173.9 | 72 | 1.7 | 0 | 0 | 0 | 112.1 | I336 S359 L360 S361 V363 | I336-N357 WeakPolarHBondContact O-CB 3.39Å; N357-S359 PolarHBondContact ND2-OG 2.79Å; N357-S359 VanDerWaalsContact ND2-OG 3.11Å; N357-S359 PolarHBondContact O-N 2.93Å; N357-S359 VanDerWaalsContact O-N 3.13Å; N357-S359 WeakPolarHBondContact OD1-CA 3.34Å; N357-S359 PolarHBondContact OD1-N 3.04Å; N357-S359 PolarHBondContact OD1-OG 2.68Å; N357-L360 PolarHBondContact O-N 3.18Å; N357-L360 PolarHBondContact OD1-N 2.93Å; N357-L360 VanDerWaalsContact OD1-N 3.16Å; N357-S361 PolarHBondContact N-O 3Å; N357-S361 WeakPolarHBondContact OD1-CB 3.48Å; N357-S361 PolarHBondContact OD1-N 3.02Å; N357-S361 PolarHBondContact OD1-O 3.49Å; N357-V363 HydrophobicContact CB-CG1 3.87Å | ||
| 358 | S | 93.1 | Very high | 94.8 | Very high | 104 Ų | 104 | 63.7 Ų | 63.7 | 73% | 0.727 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -21 | 177.5 | -50.2 | 0 | 0 | 0 | 0 | 114.8 | F335 L360 | F335-S358 WeakPolarHBondContact CD1-OG 3.32Å; S358-L360 VanDerWaalsContact C-N 3.34Å |
| 359 | S | 94.3 | Very high | 94.8 | Very high | 80 Ų | 80 | 62.5 Ų | 62.5 | 56% | 0.559 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | 14 | 174.6 | 65.9 | 0 | 0 | 0 | 0 | 113 | N357 S361 | N357-S359 PolarHBondContact ND2-OG 2.79Å; N357-S359 VanDerWaalsContact ND2-OG 3.11Å; N357-S359 PolarHBondContact O-N 2.93Å; N357-S359 VanDerWaalsContact O-N 3.13Å; N357-S359 WeakPolarHBondContact OD1-CA 3.34Å; N357-S359 PolarHBondContact OD1-N 3.04Å; N357-S359 PolarHBondContact OD1-OG 2.68Å; S359-S361 PolarHBondContact O-N 3.37Å; S359-S361 VanDerWaalsContact O-N 3.1Å; S359-S361 PolarHBondContact O-OG 2.8Å; S359-S361 PolarHBondContact OG-OG 2.98Å |
| 360 | L | 93.3 | Very high | 94.9 | Very high | 120 Ų | 120 | 61.9 Ų | 61.9 | 63% | 0.628 | 33% | 0.331 | S | S | * | . | S | Bend | trans | 56.2 | 23.1 | -176.2 | -55.5 | 177.2 | 0 | 0 | 0 | 113.8 | N357 S358 | N357-L360 PolarHBondContact O-N 3.18Å; N357-L360 PolarHBondContact OD1-N 2.93Å; N357-L360 VanDerWaalsContact OD1-N 3.16Å; S358-L360 VanDerWaalsContact C-N 3.34Å |
| 361 | S | 94.9 | Very high | 95.1 | Very high | 53 Ų | 53 | 54 Ų | 54 | 37% | 0.371 | 30% | 0.301 | S | S | . | . | trans | -90.3 | 136.1 | 176.1 | -51.7 | 0 | 0 | 0 | 0 | 109.3 | N357 S359 V363 | N357-S361 PolarHBondContact N-O 3Å; N357-S361 WeakPolarHBondContact OD1-CB 3.48Å; N357-S361 PolarHBondContact OD1-N 3.02Å; N357-S361 PolarHBondContact OD1-O 3.49Å; S359-S361 PolarHBondContact O-N 3.37Å; S359-S361 VanDerWaalsContact O-N 3.1Å; S359-S361 PolarHBondContact O-OG 2.8Å; S359-S361 PolarHBondContact OG-OG 2.98Å; S361-V363 PolarHBondContact O-N 2.94Å | ||
| 362 | P | 96.1 | Very high | 95.3 | Very high | 62 Ų | 62 | 50.5 Ų | 50.5 | 40% | 0.403 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 128.5 | -177.8 | 32.6 | -37.1 | 0 | 0 | 0 | 110.4 | F182 Q354 I355 L356 | F182-P362 HydrophobicContact CE2-CB 3.99Å; Q354-P362 HydrophobicContact CB-CB 4.34Å; I355-P362 CarbonylContact O-C 3.55Å; I355-P362 WeakPolarHBondContact O-CA 3.35Å; L356-P362 HydrophobicContact CD2-CB 4.05Å |
| 363 | V | 95.1 | Very high | 95.5 | Very high | 34 Ų | 34 | 46.8 Ų | 46.8 | 21% | 0.206 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | -7.4 | -178.6 | -65 | 0 | 0 | 0 | 0 | 113 | F181 F182 I355 N357 S361 | F181-V363 CarbonylContact C-O 3.51Å; F181-V363 WeakPolarHBondContact CA-O 3.26Å; F182-V363 PolarHBondContact N-O 3.45Å; I355-V363 HydrophobicContact CB-CG2 4.09Å; I355-V363 HydrophobicContact CG2-CG2 3.72Å; I355-V363 WeakPolarHBondContact O-CG2 3.35Å; I355-V363 PolarHBondContact O-N 3.31Å; N357-V363 HydrophobicContact CB-CG1 3.87Å; S361-V363 PolarHBondContact O-N 2.94Å |
| 364 | G | 94.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.7 | -178.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | K180 Q354 I355 | K180-G364 CarbonylContact O-C 3.59Å; K180-G364 WeakPolarHBondContact O-CA 3.2Å; Q354-G364 WeakPolarHBondContact CA-O 3.19Å; I355-G364 PolarHBondContact N-O 2.83Å |
| 365 | D | 94.2 | Very high | 95.5 | Very high | 63 Ų | 63 | 46 Ų | 46 | 34% | 0.337 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 136 | 173.6 | -65.7 | -42.6 | 0 | 0 | 0 | 109.7 | K180 F182 | K180-D365 PolarHBondContact N-O 2.84Å; K180-D365 PolarHBondContact O-N 2.89Å; F182-D365 WeakPolarHBondContact CE1-OD2 3.02Å |
| 366 | L | 95 | Very high | 95.5 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 127.4 | 173.9 | -177.1 | 61.7 | 0 | 0 | 0 | 110.3 | M174 S178 C179 I311 F313 A339 F341 A352 A353 I355 V368 | M174-L366 HydrophobicContact CE-CD1 3.83Å; M174-L366 HydrophobicContact CG-CD1 4.14Å; M174-L366 HydrophobicContact SD-CD1 4.16Å; M174-L366 HydrophobicContact SD-CD2 4.46Å; S178-L366 WeakPolarHBondContact O-CA 3.23Å; C179-L366 HydrophobicContact CB-CD1 3.95Å; I311-L366 HydrophobicContact CB-CD2 3.97Å; I311-L366 HydrophobicContact CD1-CD2 3.95Å; I311-L366 HydrophobicContact CG2-CD2 3.86Å; F313-L366 HydrophobicContact CE2-CD2 4.03Å; F313-L366 HydrophobicContact CZ-CD1 4.28Å; F313-L366 HydrophobicContact CZ-CD2 4.15Å; A339-L366 HydrophobicContact CB-CB 4.23Å; A339-L366 HydrophobicContact CB-CD2 4.01Å; F341-L366 HydrophobicContact CE2-CD2 3.72Å; F341-L366 HydrophobicContact CE2-CG 4.28Å; F341-L366 HydrophobicContact CZ-CB 4.29Å; F341-L366 HydrophobicContact CZ-CD2 3.91Å; F341-L366 HydrophobicContact CZ-CG 3.95Å; A352-L366 CarbonylContact C-O 3.36Å; A352-L366 VanDerWaalsContact CA-O 3.32Å; A352-L366 WeakPolarHBondContact CA-O 3.3Å; A353-L366 PolarHBondContact N-O 2.66Å; A353-L366 PolarHBondContact O-N 3.01Å; I355-L366 HydrophobicContact CD1-CB 4.17Å; I355-L366 HydrophobicContact CG1-CB 3.89Å; L366-V368 HydrophobicContact CD2-CG1 4.36Å; L366-V368 HydrophobicContact CG-CG1 4.18Å |
| 367 | R | 94.9 | Very high | 95.4 | Very high | 147 Ų | 147 | 49.2 Ų | 49.2 | 56% | 0.555 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 142.1 | 171 | -59.9 | 177.7 | -179.7 | -179.5 | -3.9 | 108.7 | S178 K351 A352 | S178-R367 WeakPolarHBondContact CB-O 3.34Å; S178-R367 PolarHBondContact O-N 2.91Å; S178-R367 PolarHBondContact OG-O 2.82Å; K351-R367 CarbonylContact O-C 3.55Å; K351-R367 WeakPolarHBondContact O-CA 3.34Å; A352-R367 HydrophobicContact CB-CG 4.06Å |
| 368 | V | 95.2 | Very high | 95.3 | Very high | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.018 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 147.1 | 175.4 | -60.6 | 0 | 0 | 0 | 0 | 110 | I172 R173 M174 I311 F341 R350 K351 L366 | I172-V368 HydrophobicContact CG2-CB 3.85Å; I172-V368 HydrophobicContact CG2-CG1 3.97Å; I172-V368 HydrophobicContact CG2-CG2 4.09Å; R173-V368 WeakPolarHBondContact O-CA 3.41Å; M174-V368 HydrophobicContact CG-CG1 4.14Å; I311-V368 HydrophobicContact CD1-CG1 3.89Å; F341-V368 HydrophobicContact CD1-CG2 3.58Å; F341-V368 HydrophobicContact CD2-CG1 4.43Å; F341-V368 HydrophobicContact CD2-CG2 4.31Å; F341-V368 HydrophobicContact CE1-CB 4.5Å; F341-V368 HydrophobicContact CE1-CG1 4.24Å; F341-V368 HydrophobicContact CE1-CG2 3.54Å; F341-V368 HydrophobicContact CE2-CG1 3.85Å; F341-V368 HydrophobicContact CE2-CG2 4.29Å; F341-V368 HydrophobicContact CG-CG2 3.97Å; F341-V368 HydrophobicContact CZ-CB 4.46Å; F341-V368 HydrophobicContact CZ-CG1 3.73Å; F341-V368 HydrophobicContact CZ-CG2 3.92Å; R350-V368 WeakPolarHBondContact CA-O 3.4Å; K351-V368 HydrophobicContact CB-CG2 4.01Å; K351-V368 PolarHBondContact N-O 3.27Å; K351-V368 PolarHBondContact O-N 3.34Å; L366-V368 HydrophobicContact CD2-CG1 4.36Å; L366-V368 HydrophobicContact CG-CG1 4.18Å |
| 369 | R | 94.8 | Very high | 95.2 | Very high | 70 Ų | 70 | 54.4 Ų | 54.4 | 26% | 0.264 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 142.2 | 161.2 | -68.4 | 177.5 | -179.5 | -143.8 | -9.3 | 107.7 | R173 G349 R350 E547 | R173-R369 PolarHBondContact N-O 3.38Å; R173-R369 PolarHBondContact O-N 2.99Å; G349-R369 CarbonylContact O-C 3.56Å; G349-R369 WeakPolarHBondContact O-CA 3.08Å; R350-R369 HydrophobicContact CG-CG 4.06Å; R369-E547 IonicContact CZ-OE2 2.87Å; R369-E547 IonicContact NH1-OE2 3.25Å; R369-E547 PolarHBondContact NH1-OE2 2.91Å; R369-E547 IonicContact NH2-OE2 3.63Å; R369-E547 PolarHBondContact NH2-OE2 2.81Å |
| 370 | Y | 96.1 | Very high | 95.1 | Very high | 10 Ų | 10 | 53.3 Ų | 53.3 | 4% | 0.039 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 151.4 | 175.7 | 74.7 | -87.4 | 0 | 0 | 0 | 111.4 | H171 F344 D346 Y348 G349 K351 I372 | H171-Y370 CarbonylContact O-C 3.58Å; H171-Y370 WeakPolarHBondContact O-CA 3.37Å; F344-Y370 HydrophobicContact CB-CD2 4.35Å; F344-Y370 HydrophobicContact CB-CE2 3.91Å; F344-Y370 AromaticContact CD1-CD1 3.87Å; F344-Y370 HydrophobicContact CD1-CD1 3.87Å; F344-Y370 AromaticContact CD1-CD2 3.58Å; F344-Y370 HydrophobicContact CD1-CD2 3.58Å; F344-Y370 HydrophobicContact CD1-CE1 4.03Å; F344-Y370 AromaticContact CD1-CE2 3.75Å; F344-Y370 HydrophobicContact CD1-CE2 3.75Å; F344-Y370 AromaticContact CD1-CG 3.64Å; F344-Y370 HydrophobicContact CD1-CG 3.64Å; F344-Y370 AromaticContact CD1-CZ 3.96Å; F344-Y370 HydrophobicContact CE1-CD1 4.09Å; F344-Y370 HydrophobicContact CE1-CD2 4.15Å; F344-Y370 AromaticContact CE1-CG 3.81Å; F344-Y370 HydrophobicContact CE1-CG 3.81Å; F344-Y370 HydrophobicContact CG-CD2 4.08Å; F344-Y370 HydrophobicContact CG-CE2 4.1Å; D346-Y370 WeakPolarHBondContact O-CE2 2.82Å; D346-Y370 PolarHBondContact O-OH 2.96Å; Y348-Y370 CarbonylContact C-O 3.59Å; Y348-Y370 WeakPolarHBondContact CA-O 3.04Å; G349-Y370 PolarHBondContact N-O 3.43Å; G349-Y370 WeakPolarHBondContact O-CD1 3.37Å; G349-Y370 PolarHBondContact O-N 3.42Å; K351-Y370 HydrophobicContact CG-CD1 3.98Å; K351-Y370 HydrophobicContact CG-CE1 3.79Å; Y370-I372 HydrophobicContact CD2-CD1 4.5Å; Y370-I372 HydrophobicContact CD2-CG1 4.2Å; Y370-I372 HydrophobicContact CE2-CD1 4.31Å; Y370-I372 HydrophobicContact CE2-CG1 4.4Å |
| 371 | L | 97.7 | Very high | 94.9 | Very high | 4 Ų | 4 | 54.3 Ų | 54.3 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 131.9 | 176 | 174 | 71 | 0 | 0 | 0 | 108.5 | I170 H171 T347 I373 Y561 N589 M593 | I170-L371 CarbonylContact C-O 3.54Å; I170-L371 WeakPolarHBondContact CA-O 3.49Å; H171-L371 HydrophobicContact CB-CB 4.35Å; H171-L371 PolarHBondContact N-O 3.49Å; H171-L371 PolarHBondContact O-N 3Å; T347-L371 CarbonylContact O-C 3.52Å; L371-I373 HydrophobicContact CD2-CD1 3.89Å; L371-I373 HydrophobicContact CD2-CG1 3.89Å; L371-I373 HydrophobicContact CG-CD1 4.41Å; L371-I373 HydrophobicContact CG-CG1 3.89Å; L371-Y561 HydrophobicContact CD1-CD2 4.21Å; L371-Y561 HydrophobicContact CD1-CG 4.34Å; L371-N589 HydrophobicContact CD2-CB 3.72Å; L371-M593 HydrophobicContact CD1-SD 4.22Å; L371-M593 HydrophobicContact CD2-SD 4.39Å |
| 372 | I | 97.9 | Very high | 94.7 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 119.3 | 177.7 | -54.8 | 179.8 | 0 | 0 | 0 | 107.4 | I170 V304 F344 D346 T347 Y370 Y374 N562 | I170-I372 HydrophobicContact CG1-CG1 4.28Å; I170-I372 HydrophobicContact CG1-CG2 4.41Å; I170-I372 HydrophobicContact CG2-CG1 4.28Å; V304-I372 HydrophobicContact CG1-CD1 3.79Å; V304-I372 HydrophobicContact CG1-CG2 3.74Å; V304-I372 HydrophobicContact CG2-CG2 4.2Å; F344-I372 HydrophobicContact CB-CD1 3.77Å; F344-I372 HydrophobicContact CG-CD1 4.38Å; D346-I372 WeakPolarHBondContact O-CD1 3.37Å; T347-I372 WeakPolarHBondContact O-CB 3.27Å; T347-I372 PolarHBondContact O-N 2.8Å; Y370-I372 HydrophobicContact CD2-CD1 4.5Å; Y370-I372 HydrophobicContact CD2-CG1 4.2Å; Y370-I372 HydrophobicContact CE2-CD1 4.31Å; Y370-I372 HydrophobicContact CE2-CG1 4.4Å; I372-Y374 HydrophobicContact CG2-CD2 4.42Å; I372-Y374 HydrophobicContact CG2-CE1 4.25Å; I372-Y374 HydrophobicContact CG2-CE2 3.88Å; I372-N562 PolarHBondContact O-ND2 3.23Å |
| 373 | I | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 111.5 | -177.3 | -49.3 | 175.2 | 0 | 0 | 0 | 107.9 | L164 S168 E169 L371 V592 M593 L596 | L164-I373 HydrophobicContact CD1-CB 4.02Å; L164-I373 HydrophobicContact CD1-CG2 3.55Å; S168-I373 CarbonylContact C-O 3.48Å; S168-I373 VanDerWaalsContact CA-O 3.22Å; S168-I373 WeakPolarHBondContact CA-O 3.37Å; S168-I373 WeakPolarHBondContact CB-O 3.2Å; E169-I373 PolarHBondContact N-O 2.97Å; E169-I373 PolarHBondContact O-N 3.23Å; L371-I373 HydrophobicContact CD2-CD1 3.89Å; L371-I373 HydrophobicContact CD2-CG1 3.89Å; L371-I373 HydrophobicContact CG-CD1 4.41Å; L371-I373 HydrophobicContact CG-CG1 3.89Å; I373-V592 HydrophobicContact CD1-CG1 3.56Å; I373-M593 HydrophobicContact CD1-CG 3.91Å; I373-M593 HydrophobicContact CG1-CG 3.98Å; I373-M593 HydrophobicContact CG2-CE 4.33Å; I373-M593 HydrophobicContact CG2-CG 4Å; I373-L596 HydrophobicContact CD1-CD1 3.79Å |
| 374 | Y | 97.5 | Very high | 94.7 | Very high | 88 Ų | 88 | 50.3 Ų | 50.3 | 35% | 0.345 | 25% | 0.25 | S | C | . | . | P | Polyproline II helix | trans | -84.3 | 156.2 | 173.2 | -66.2 | -74 | 0 | 0 | 0 | 110.7 | S168 V304 T347 I372 N562 K597 | S168-Y374 WeakPolarHBondContact OG-CD1 3.2Å; V304-Y374 HydrophobicContact CB-CE1 4.3Å; V304-Y374 HydrophobicContact CG2-CE1 3.84Å; T347-Y374 HydrophobicContact CG2-CE2 3.82Å; I372-Y374 HydrophobicContact CG2-CD2 4.42Å; I372-Y374 HydrophobicContact CG2-CE1 4.25Å; I372-Y374 HydrophobicContact CG2-CE2 3.88Å; Y374-N562 PolarHBondContact N-OD1 2.95Å; Y374-K597 WeakPolarHBondContact O-CE 3.23Å; Y374-K597 PolarHBondContact O-NZ 3.19Å |
| 375 | P | 95.4 | Very high | 94.8 | Very high | 27 Ų | 27 | 55.9 Ų | 55.9 | 18% | 0.175 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -51.8 | 150.6 | 161.3 | -23.6 | 33.1 | 0 | 0 | 0 | 111.2 | L164 N167 I377 | L164-P375 HydrophobicContact CB-CG 4.42Å; N167-P375 WeakPolarHBondContact O-CD 3.13Å; N167-P375 VanDerWaalsContact O-CG 3.31Å; N167-P375 WeakPolarHBondContact O-CG 3.49Å; P375-I377 PolarHBondContact O-N 2.68Å |
| 376 | M | 96.2 | Very high | 94.9 | Very high | 13 Ų | 13 | 55.4 Ų | 55.4 | 6% | 0.064 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 133.6 | 177.9 | -177.9 | -174.2 | -62.2 | 0 | 0 | 110.8 | P379 D566 L569 R570 L573 K597 | M376-P379 HydrophobicContact CB-CB 4.29Å; M376-P379 HydrophobicContact CG-CB 4.33Å; M376-P379 WeakPolarHBondContact O-CD 3.08Å; M376-P379 HydrophobicContact SD-CB 3.97Å; M376-D566 WeakPolarHBondContact CA-OD2 3.16Å; M376-D566 HydrophobicContact CG-CB 4.2Å; M376-L569 HydrophobicContact CE-CB 3.48Å; M376-L569 VanDerWaalsContact CE-CB 3.48Å; M376-L569 HydrophobicContact CE-CD1 3.66Å; M376-L569 HydrophobicContact CE-CG 4.24Å; M376-R570 HydrophobicContact CG-CG 4.43Å; M376-R570 HydrophobicContact SD-CG 3.75Å; M376-L573 HydrophobicContact CE-CD1 4.01Å; M376-L573 HydrophobicContact SD-CD1 4.42Å; M376-K597 HydrophobicContact CE-CB 4.15Å; M376-K597 WeakPolarHBondContact CE-O 2.98Å |
| 377 | I | 93.8 | Very high | 94.9 | Very high | 111 Ų | 111 | 55.4 Ų | 55.4 | 57% | 0.569 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -76.2 | 126 | 173.5 | -62.5 | 173.5 | 0 | 0 | 0 | 109.4 | P375 D566 R570 | P375-I377 PolarHBondContact O-N 2.68Å; I377-D566 PolarHBondContact N-OD2 3.47Å; I377-R570 WeakPolarHBondContact O-CD 3.38Å; I377-R570 PolarHBondContact O-NH1 2.87Å |
| 378 | K | 92.8 | Very high | 94.9 | Very high | 177 Ų | 177 | 50.3 Ų | 50.3 | 77% | 0.77 | 25% | 0.254 | S | S | * | . | S | Bend | trans | 53.9 | 58.7 | -178.3 | -60.2 | 173.9 | -178.6 | 178 | 0 | 112.6 | R570 | K378-R570 VanDerWaalsContact O-CD 3.31Å; K378-R570 WeakPolarHBondContact O-CD 3.45Å |
| 379 | P | 92.3 | Very high | 94.8 | Very high | 78 Ų | 78 | 50.5 Ų | 50.5 | 51% | 0.506 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 155.5 | 175.9 | 32.7 | -32.3 | 0 | 0 | 0 | 109.9 | M376 | M376-P379 HydrophobicContact CB-CB 4.29Å; M376-P379 HydrophobicContact CG-CB 4.33Å; M376-P379 WeakPolarHBondContact O-CD 3.08Å; M376-P379 HydrophobicContact SD-CB 3.97Å |
| 380 | P | 91.1 | Very high | 94.7 | Very high | 57 Ų | 57 | 50.3 Ų | 50.3 | 37% | 0.37 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 161.6 | 161.7 | -21.6 | 34.1 | 0 | 0 | 0 | 111.5 | L573 | P380-L573 HydrophobicContact CG-CB 3.89Å; P380-L573 HydrophobicContact CG-CD1 4.37Å |
| 381 | D | 90.1 | Very high | 94.4 | Very high | 141 Ų | 141 | 53 Ų | 53 | 75% | 0.754 | 27% | 0.269 | S | S | * | . | P | Polyproline II helix | trans | -55 | 133.7 | 176.9 | -74.7 | -17 | 0 | 0 | 0 | 111.1 | S383 | D381-S383 PolarHBondContact O-N 2.71Š|
| 382 | P | 90.8 | Very high | 94.1 | Very high | 26 Ų | 26 | 55.1 Ų | 55.1 | 17% | 0.169 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -65 | 134.9 | -177.8 | 27 | -34.4 | 0 | 0 | 0 | 110.5 | P55 W163 | P55-P382 HydrophobicContact CG-CB 4.15Å; P55-P382 HydrophobicContact CG-CG 4.39Å; W163-P382 HydrophobicContact CZ2-CB 4.11Å |
| 383 | S | 94.7 | Very high | 93.7 | Very high | 39 Ų | 39 | 59.6 Ų | 59.6 | 27% | 0.273 | 30% | 0.297 | S | S | . | . | trans | -141.3 | 127.5 | 177.1 | -170.3 | 0 | 0 | 0 | 0 | 111.5 | W53 D381 K385 Q599 | W53-S383 WeakPolarHBondContact CB-OG 3.46Å; W53-S383 WeakPolarHBondContact O-CA 3.34Å; D381-S383 PolarHBondContact O-N 2.71Å; S383-K385 VanDerWaalsContact C-N 3.3Å; S383-K385 WeakPolarHBondContact OG-CB 3.42Å; S383-K385 PolarHBondContact OG-N 3.01Å; S383-Q599 PolarHBondContact O-NE2 3.43Å | ||
| 384 | L | 96.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 34% | 0.336 | C | S | . | . | trans | -91.8 | 13.8 | 172.9 | -62.1 | -173.7 | 0 | 0 | 0 | 112.9 | T44 W53 P55 R89 F91 W113 W163 | T44-L384 HydrophobicContact CG2-CB 3.86Å; T44-L384 HydrophobicContact CG2-CD1 3.79Å; T44-L384 HydrophobicContact CG2-CG 4.21Å; W53-L384 PolarHBondContact O-N 3.36Å; P55-L384 HydrophobicContact CB-CD1 4.24Å; R89-L384 WeakPolarHBondContact CD-O 3.34Å; R89-L384 PolarHBondContact NE-O 3.34Å; F91-L384 HydrophobicContact CB-CD1 4.12Å; F91-L384 HydrophobicContact CD1-CD1 3.77Å; F91-L384 HydrophobicContact CG-CD1 4.12Å; W113-L384 HydrophobicContact CD2-CD2 3.93Å; W113-L384 HydrophobicContact CE3-CB 4.42Å; W113-L384 HydrophobicContact CE3-CD1 4.43Å; W113-L384 HydrophobicContact CE3-CD2 3.75Å; W113-L384 HydrophobicContact CE3-CG 4.44Å; W113-L384 HydrophobicContact CG-CD2 4.42Å; W113-L384 HydrophobicContact CH2-CD2 4.24Å; W113-L384 HydrophobicContact CZ3-CB 4.24Å; W113-L384 HydrophobicContact CZ3-CD2 3.91Å; W163-L384 HydrophobicContact CH2-CD2 3.46Å; W163-L384 VanDerWaalsContact CH2-CD2 3.46Å; W163-L384 HydrophobicContact CZ3-CD2 3.59Å | ||
| 385 | K | 96.4 | Very high | 92.7 | Very high | 116 Ų | 116 | 67.2 Ų | 67.2 | 50% | 0.504 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -64.7 | -50.9 | -174 | -171.5 | 178.1 | 179.1 | 174.3 | 0 | 113 | W53 S383 | W53-K385 HydrophobicContact CB-CB 3.85Å; W53-K385 HydrophobicContact CD2-CB 3.74Å; W53-K385 HydrophobicContact CD2-CG 3.93Å; W53-K385 HydrophobicContact CE3-CB 4.27Å; W53-K385 HydrophobicContact CG-CB 3.53Å; W53-K385 HydrophobicContact CG-CD 4.33Å; W53-K385 HydrophobicContact CG-CG 3.88Å; W53-K385 HydrophobicContact CZ2-CG 4.48Å; S383-K385 VanDerWaalsContact C-N 3.3Å; S383-K385 WeakPolarHBondContact OG-CB 3.42Å; S383-K385 PolarHBondContact OG-N 3.01Å |
| 386 | V | 94.5 | Very high | 92.2 | Very high | 54 Ų | 54 | 71.6 Ų | 71.6 | 33% | 0.327 | 37% | 0.369 | S | S | . | . | trans | -128.8 | 138.1 | -172.5 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | L117 Y388 | L117-V386 HydrophobicContact CD1-CG1 4.32Å; V386-Y388 HydrophobicContact CG1-CD2 4.31Å; V386-Y388 HydrophobicContact CG1-CE2 3.57Å | ||
| 387 | T | 95.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 39% | 0.391 | C | S | . | . | trans | -153.8 | 149.8 | 169 | -178.8 | 0 | 0 | 0 | 0 | 110.8 | W113 S115 L117 Q389 Q599 | W113-T387 VanDerWaalsContact CH2-CB 3.42Å; W113-T387 HydrophobicContact CH2-CG2 3.23Å; W113-T387 HydrophobicContact CZ2-CG2 3.96Å; W113-T387 HydrophobicContact CZ3-CG2 3.82Å; S115-T387 WeakPolarHBondContact O-CG2 3.29Å; L117-T387 WeakPolarHBondContact CD1-O 3.32Å; T387-Q389 WeakPolarHBondContact OG1-CG 3.33Å; T387-Q389 PolarHBondContact OG1-N 2.84Å; T387-Q599 VanDerWaalsContact CB-O 3.26Å; T387-Q599 WeakPolarHBondContact CB-O 3.24Å; T387-Q599 PolarHBondContact OG1-O 3.28Å | ||
| 388 | Y | 95.5 | Very high | 91.8 | Very high | 41 Ų | 41 | 69.8 Ų | 69.8 | 16% | 0.161 | 37% | 0.368 | C | S | . | . | trans | -118.5 | 10.7 | 178.2 | -58.7 | -78.3 | 0 | 0 | 0 | 111.7 | L117 V386 H390 H391 I600 Y601 | L117-Y388 HydrophobicContact CD1-CD1 3.75Å; L117-Y388 HydrophobicContact CD1-CE1 3.54Å; L117-Y388 HydrophobicContact CD2-CD1 4.36Å; L117-Y388 HydrophobicContact CD2-CE1 4.21Å; V386-Y388 HydrophobicContact CG1-CD2 4.31Å; V386-Y388 HydrophobicContact CG1-CE2 3.57Å; Y388-H390 PolarHBondContact O-N 3.37Å; Y388-H390 VanDerWaalsContact O-N 3.12Å; Y388-H391 HydrophobicContact CD1-CB 4.19Å; Y388-H391 AromaticContact CD1-ND1 3.65Å; Y388-H391 PolarHBondContact O-N 2.98Å; Y388-I600 WeakPolarHBondContact CB-O 3.42Å; Y388-I600 HydrophobicContact CD2-CG2 4.03Å; Y388-I600 HydrophobicContact CE2-CG2 4.22Å; Y388-I600 PolarHBondContact N-O 3.01Å; Y388-Y601 HydrophobicContact CD2-CD1 4.4Å | ||
| 389 | Q | 92.8 | Very high | 91.9 | Very high | 6 Ų | 6 | 61.4 Ų | 61.4 | 3% | 0.028 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -34.6 | -176.6 | -72.4 | -69.8 | -8.4 | 0 | 0 | 113.7 | Q160 T387 Y601 | Q160-Q389 HydrophobicContact CG-CG 4.49Å; T387-Q389 WeakPolarHBondContact OG1-CG 3.33Å; T387-Q389 PolarHBondContact OG1-N 2.84Å; Q389-Y601 PolarHBondContact NE2-O 2.71Å |
| 390 | H | 92 | Very high | 92.1 | Very high | 66 Ų | 66 | 59.5 Ų | 59.5 | 31% | 0.306 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | 8.3 | 176.7 | -71.5 | 72.3 | 0 | 0 | 0 | 113.3 | S115 F158 V159 Q160 Y388 W392 | S115-H390 PolarHBondContact OG-CE1 2.66Å; S115-H390 PolarHBondContact OG-ND1 2.89Å; F158-H390 HydrophobicContact CD1-CB 3.71Å; F158-H390 AromaticContact CD1-CG 3.98Å; F158-H390 HydrophobicContact CE1-CB 4.18Å; V159-H390 PolarHBondContact O-CE1 2.98Å; Q160-H390 PolarHBondContact OE1-CE1 2.87Å; Y388-H390 PolarHBondContact O-N 3.37Å; Y388-H390 VanDerWaalsContact O-N 3.12Å; H390-W392 PolarHBondContact O-N 2.66Å |
| 391 | H | 90.8 | Very high | 92.4 | Very high | 66 Ų | 66 | 56.8 Ų | 56.8 | 31% | 0.306 | 30% | 0.299 | S | S | . | . | trans | -95.7 | 101.7 | -170.3 | 179.2 | -114.5 | 0 | 0 | 0 | 111.7 | L117 Y388 | L117-H391 HydrophobicContact CB-CB 4.23Å; L117-H391 HydrophobicContact CD2-CB 4.34Å; Y388-H391 HydrophobicContact CD1-CB 4.19Å; Y388-H391 AromaticContact CD1-ND1 3.65Å; Y388-H391 PolarHBondContact O-N 2.98Å | ||
| 392 | W | 91.8 | Very high | 92.8 | Very high | 50 Ų | 50 | 50.1 Ų | 50.1 | 19% | 0.189 | 26% | 0.263 | C | S | . | . | trans | -133.6 | 119 | 160 | -168.3 | -102.8 | 0 | 0 | 0 | 109.7 | H390 K394 V399 L582 F604 V658 L660 D681 | H390-W392 PolarHBondContact O-N 2.66Å; W392-K394 PolarHBondContact O-N 2.94Å; W392-V399 HydrophobicContact CH2-CG2 4Å; W392-V399 HydrophobicContact CZ2-CG2 4.17Å; W392-L582 HydrophobicContact CH2-CD1 4.41Å; W392-L582 HydrophobicContact CZ3-CD1 3.88Å; W392-L582 HydrophobicContact CZ3-CD2 4.38Å; W392-F604 HydrophobicContact CZ3-CZ 4.45Å; W392-V658 HydrophobicContact CB-CG2 3.62Å; W392-V658 HydrophobicContact CD2-CB 4.38Å; W392-V658 HydrophobicContact CD2-CG1 3.55Å; W392-V658 HydrophobicContact CD2-CG2 3.86Å; W392-V658 VanDerWaalsContact CE2-CG1 3.49Å; W392-V658 HydrophobicContact CE3-CG1 3.84Å; W392-V658 HydrophobicContact CE3-CG2 4.32Å; W392-V658 HydrophobicContact CG-CB 4.47Å; W392-V658 HydrophobicContact CG-CG1 4.04Å; W392-V658 HydrophobicContact CG-CG2 3.52Å; W392-V658 HydrophobicContact CH2-CG1 4.04Å; W392-V658 HydrophobicContact CZ2-CG1 3.79Å; W392-V658 HydrophobicContact CZ3-CG1 4.06Å; W392-L660 HydrophobicContact CH2-CD2 3.94Å; W392-L660 HydrophobicContact CZ2-CD2 4.39Å; W392-D681 HydrophobicContact CZ2-CB 3.61Å; W392-D681 PolarHBondContact NE1-OD1 3.07Å | ||
| 393 | K | 89.6 | Confident | 93.1 | Very high | 95 Ų | 95 | 50.6 Ų | 50.6 | 41% | 0.413 | 26% | 0.263 | S | S | . | . | trans | -80.5 | 112 | 177 | -175.9 | 179.6 | -176.9 | -174.4 | 0 | 108.6 | R395 E703 | K393-R395 PolarHBondContact O-N 3.13Å; K393-R395 PolarHBondContact O-NH1 2.8Å; K393-E703 WeakPolarHBondContact CE-OE1 3.33Å; K393-E703 VanDerWaalsContact NZ-CD 3.29Å; K393-E703 IonicContact NZ-OE1 3.72Å; K393-E703 PolarHBondContact NZ-OE1 2.89Å; K393-E703 IonicContact NZ-OE2 3.29Å | ||
| 394 | K | 85.2 | Confident | 93.2 | Very high | 189 Ų | 189 | 50 Ų | 50 | 82% | 0.822 | 26% | 0.255 | S | S | * | . | trans | -59.2 | 131.2 | 172.4 | -169.6 | 172.4 | -174.9 | 172.2 | 0 | 109.7 | W392 | W392-K394 PolarHBondContact O-N 2.94Š| ||
| 395 | R | 88.8 | Confident | 93.2 | Very high | 60 Ų | 60 | 50 Ų | 50 | 23% | 0.226 | 26% | 0.255 | C | S | . | . | trans | -127.3 | 163.4 | -179 | -71.2 | 176.3 | -174.8 | 90.9 | -1.7 | 109.9 | K393 S397 E703 | K393-R395 PolarHBondContact O-N 3.13Å; K393-R395 PolarHBondContact O-NH1 2.8Å; R395-S397 VanDerWaalsContact CB-O 3.27Å; R395-S397 WeakPolarHBondContact CB-O 3.47Å; R395-E703 IonicContact NE-OE1 2.82Å; R395-E703 IonicContact NH2-OE1 3.86Å; R395-E703 IonicContact NH2-OE2 2.88Å | ||
| 396 | A | 83.9 | Confident | 93.2 | Very high | 119 Ų | 119 | 44.4 Ų | 44.4 | 98% | 0.983 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -72.9 | -18.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 397 | S | 88.7 | Confident | 93.1 | Very high | 76 Ų | 76 | 41.9 Ų | 41.9 | 53% | 0.531 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -135.8 | 151.7 | 178.9 | -178.3 | 0 | 0 | 0 | 0 | 109.5 | R395 | R395-S397 VanDerWaalsContact CB-O 3.27Å; R395-S397 WeakPolarHBondContact CB-O 3.47Å |
| 398 | A | 94.4 | Very high | 92.9 | Very high | 10 Ų | 10 | 43 Ų | 43 | 8% | 0.083 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -56 | 150.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | V680 D681 I683 | A398-V680 VanDerWaalsContact CB-O 3.28Å; A398-V680 WeakPolarHBondContact CB-O 3.19Å; A398-D681 VanDerWaalsContact CA-O 3.28Å; A398-D681 WeakPolarHBondContact CA-O 3.46Å; A398-I683 HydrophobicContact CB-CD1 4.02Å; A398-I683 HydrophobicContact CB-CG1 3.9Å |
| 399 | V | 95.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 144.1 | 167.7 | -64.1 | 0 | 0 | 0 | 0 | 110.6 | W392 I401 D441 F442 D681 G682 I683 | W392-V399 HydrophobicContact CH2-CG2 4Å; W392-V399 HydrophobicContact CZ2-CG2 4.17Å; V399-I401 HydrophobicContact CG2-CD1 4.14Å; V399-I401 HydrophobicContact CG2-CG1 4.1Å; V399-D441 HydrophobicContact CB-CB 4.03Å; V399-D441 HydrophobicContact CG1-CB 4.5Å; V399-F442 HydrophobicContact CG2-CD2 4.22Å; V399-F442 HydrophobicContact CG2-CE2 4.27Å; V399-D681 PolarHBondContact N-O 2.82Å; V399-G682 WeakPolarHBondContact O-CA 3.5Å; V399-I683 PolarHBondContact O-N 2.95Å |
| 400 | D | 96.3 | Very high | 92 | Very high | 38 Ų | 38 | 44.6 Ų | 44.6 | 20% | 0.203 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 121.1 | 177.8 | -67.2 | -85.1 | 0 | 0 | 0 | 110.6 | D441 F442 Y685 K692 | D400-D441 PolarHBondContact N-OD2 3.01Å; D400-D441 WeakPolarHBondContact O-CB 3.32Å; D400-D441 PolarHBondContact O-N 3.41Å; D400-F442 PolarHBondContact O-N 2.63Å; D400-Y685 HydrophobicContact CB-CE1 4.02Å; D400-Y685 VanDerWaalsContact OD1-CE1 3.27Å; D400-Y685 WeakPolarHBondContact OD1-CE1 3.29Å; D400-Y685 PolarHBondContact OD1-OH 3.04Å; D400-K692 WeakPolarHBondContact OD2-CE 3.34Å; D400-K692 IonicContact OD2-NZ 3.91Å; D400-K692 PolarHBondContact OD2-NZ 3.34Å |
| 401 | I | 97.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 118.5 | -177.4 | -46.3 | -175.8 | 0 | 0 | 0 | 108.4 | V399 H403 F442 E444 V539 L660 I683 I684 Y685 | V399-I401 HydrophobicContact CG2-CD1 4.14Å; V399-I401 HydrophobicContact CG2-CG1 4.1Å; I401-H403 PolarHBondContact O-N 3.18Å; I401-F442 WeakPolarHBondContact CA-O 3.39Å; I401-F442 HydrophobicContact CB-CB 4.22Å; I401-F442 HydrophobicContact CD1-CB 4.43Å; I401-F442 HydrophobicContact CG1-CB 3.98Å; I401-F442 HydrophobicContact CG1-CD2 4.4Å; I401-F442 HydrophobicContact CG2-CB 3.77Å; I401-E444 HydrophobicContact CG2-CB 3.94Å; I401-V539 HydrophobicContact CD1-CG2 4.08Å; I401-V539 HydrophobicContact CG2-CG2 4Å; I401-L660 HydrophobicContact CD1-CD1 4.28Å; I401-L660 HydrophobicContact CD1-CD2 4.22Å; I401-I683 WeakPolarHBondContact CB-O 3.24Å; I401-I683 PolarHBondContact N-O 2.83Å; I401-I684 HydrophobicContact CB-CB 4.37Å; I401-I684 HydrophobicContact CB-CG1 3.87Å; I401-I684 HydrophobicContact CD1-CG1 3.93Å; I401-I684 HydrophobicContact CG1-CG1 4.38Å; I401-I684 HydrophobicContact CG2-CG1 3.92Å; I401-I684 HydrophobicContact CG2-CG2 4.4Å; I401-I684 WeakPolarHBondContact O-CA 3.25Å; I401-Y685 PolarHBondContact O-N 3.29Å |
| 402 | G | 97.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 113 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | R404 G405 F442 V443 E444 | G402-R404 PolarHBondContact O-N 2.74Å; G402-G405 CarbonylContact C-O 3.46Å; G402-G405 WeakPolarHBondContact CA-O 3.43Å; G402-G405 PolarHBondContact O-N 3.43Å; G402-F442 PolarHBondContact N-O 3.31Å; G402-V443 CarbonylContact O-C 3.58Å; G402-V443 WeakPolarHBondContact O-CA 3.33Å; G402-E444 PolarHBondContact O-N 3.44Å |
| 403 | H | 97.4 | Very high | 90 | Very high | 37 Ų | 37 | 41 Ų | 41 | 17% | 0.171 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 123.7 | 177.6 | 179.1 | -131.5 | 0 | 0 | 0 | 110.2 | I401 G405 G407 T408 E444 I684 Y685 D686 | I401-H403 PolarHBondContact O-N 3.18Å; H403-G405 CarbonylContact O-C 3.46Å; H403-G405 VanDerWaalsContact O-C 3.28Å; H403-G405 PolarHBondContact O-N 2.95Å; H403-G407 WeakPolarHBondContact O-CA 3.03Å; H403-G407 PolarHBondContact O-N 2.96Å; H403-T408 PolarHBondContact CE1-OG1 2.83Å; H403-E444 IonicContact CD2-OE2 3.62Å; H403-E444 PolarHBondContact CD2-OE2 2.77Å; H403-E444 IonicContact NE2-OE2 3.69Å; H403-I684 HydrophobicContact CB-CG2 3.78Å; H403-Y685 PolarHBondContact N-O 3.36Å; H403-D686 WeakPolarHBondContact CB-OD1 3.5Å; H403-D686 IonicContact CE1-OD1 3.33Å; H403-D686 IonicContact CG-OD1 2.7Å; H403-D686 IonicContact ND1-OD1 3.43Å; H403-D686 PolarHBondContact ND1-OD1 2.69Å |
| 404 | R | 97.3 | Very high | 89.5 | Confident | 25 Ų | 25 | 42.1 Ų | 42.1 | 9% | 0.094 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.8 | 33 | -174.9 | -50.2 | 178.2 | -162.9 | -176.9 | 2 | 113.6 | G402 E426 N427 S431 E444 D446 H459 | G402-R404 PolarHBondContact O-N 2.74Å; R404-E426 HydrophobicContact CB-CB 3.76Å; R404-E426 WeakPolarHBondContact CD-OE1 3.45Å; R404-E426 IonicContact CZ-OE1 3.81Å; R404-E426 IonicContact NH1-OE1 2.67Å; R404-E426 PolarHBondContact NH1-OE1 3.07Å; R404-E426 IonicContact NH1-OE2 3.8Å; R404-N427 PolarHBondContact O-N 3.4Å; R404-S431 PolarHBondContact O-OG 3.3Å; R404-S431 VanDerWaalsContact O-OG 3.1Å; R404-E444 WeakPolarHBondContact CA-O 3.35Å; R404-E444 PolarHBondContact N-O 3.25Å; R404-E444 PolarHBondContact N-OE2 2.75Å; R404-D446 IonicContact NE-OD2 2.66Å; R404-H459 VanDerWaalsContact NH1-CG 3.3Å; R404-H459 PolarHBondContact NH2-CD2 3.4Å; R404-H459 PolarHBondContact NH2-CE1 2.94Å; R404-H459 PolarHBondContact NH2-NE2 2.81Å |
| 405 | G | 96.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | -100.4 | -165.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | G402 H403 S431 E444 | G402-G405 CarbonylContact C-O 3.46Å; G402-G405 WeakPolarHBondContact CA-O 3.43Å; G402-G405 PolarHBondContact O-N 3.43Å; H403-G405 CarbonylContact O-C 3.46Å; H403-G405 VanDerWaalsContact O-C 3.28Å; H403-G405 PolarHBondContact O-N 2.95Å; G405-S431 WeakPolarHBondContact CA-OG 3.45Å; G405-E444 PolarHBondContact N-O 3.12Å |
| 406 | M | 95 | Very high | 88.7 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 1.4 | -175.9 | -68.3 | -57.2 | -59.4 | 0 | 0 | 114.1 | P422 T424 S431 T434 A435 C687 N689 | M406-P422 HydrophobicContact CB-CB 4.12Å; M406-P422 WeakPolarHBondContact O-CB 3.39Å; M406-P422 WeakPolarHBondContact O-CG 3.25Å; M406-T424 WeakPolarHBondContact CB-OG1 3.43Å; M406-T424 WeakPolarHBondContact CG-OG1 3.28Å; M406-S431 WeakPolarHBondContact CG-O 3.47Å; M406-S431 PolarHBondContact N-OG 3.11Å; M406-T434 HydrophobicContact CE-CG2 4.12Å; M406-T434 HydrophobicContact CG-CG2 3.81Å; M406-T434 HydrophobicContact SD-CG2 3.77Å; M406-A435 HydrophobicContact SD-CB 3.98Å; M406-A435 PolarHBondContact SD-N 2.97Å; M406-C687 WeakPolarHBondContact O-CA 3.32Å; M406-C687 PolarHBondContact O-N 3.34Å; M406-N689 HydrophobicContact CE-CB 3.67Å; M406-N689 WeakPolarHBondContact CE-OD1 3.46Å |
| 407 | G | 93.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | 114.5 | -179.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | H403 S409 E426 D686 | H403-G407 WeakPolarHBondContact O-CA 3.03Å; H403-G407 PolarHBondContact O-N 2.96Å; G407-S409 PolarHBondContact O-N 2.86Å; G407-E426 VanDerWaalsContact O-CB 3.26Å; G407-E426 WeakPolarHBondContact O-CB 3.38Å; G407-D686 WeakPolarHBondContact CA-OD1 3.27Å | ||
| 408 | T | 90.9 | Very high | 87.9 | Confident | 24 Ų | 24 | 43.4 Ų | 43.4 | 15% | 0.147 | 21% | 0.205 | C | C | . | . | trans | -64.5 | 125.5 | -179.2 | -49.9 | 0 | 0 | 0 | 0 | 111.6 | H403 F411 P422 E426 D686 | H403-T408 PolarHBondContact CE1-OG1 2.83Å; T408-F411 HydrophobicContact CG2-CD1 4.33Å; T408-F411 HydrophobicContact CG2-CE1 3.83Å; T408-F411 HydrophobicContact CG2-CZ 4.18Å; T408-F411 WeakPolarHBondContact O-CE2 3.47Å; T408-F411 WeakPolarHBondContact O-CZ 3.31Å; T408-P422 WeakPolarHBondContact O-CD 3.37Å; T408-P422 VanDerWaalsContact O-CG 3.23Å; T408-P422 WeakPolarHBondContact O-CG 3.49Å; T408-E426 WeakPolarHBondContact CA-OE2 3.26Å; T408-D686 PolarHBondContact N-OD1 3.36Å; T408-D686 PolarHBondContact N-OD2 2.81Å; T408-D686 PolarHBondContact OG1-OD2 3.05Å | ||
| 409 | S | 87 | Confident | 87.2 | Confident | 25 Ų | 25 | 44.3 Ų | 44.3 | 18% | 0.175 | 21% | 0.208 | C | C | . | . | trans | -93.5 | -20.9 | 179.6 | -62 | 0 | 0 | 0 | 0 | 113.5 | G407 R425 E426 | G407-S409 PolarHBondContact O-N 2.86Å; S409-R425 WeakPolarHBondContact OG-CA 3.37Å; S409-E426 PolarHBondContact N-OE2 2.84Å; S409-E426 PolarHBondContact OG-N 3.01Å | ||
| 410 | F | 82.7 | Confident | 86.3 | Confident | 55 Ų | 55 | 50 Ų | 50 | 24% | 0.241 | 23% | 0.232 | C | C | . | . | trans | -115.5 | 92.4 | -168.7 | -55.6 | -72.9 | 0 | 0 | 0 | 112.4 | R425 E426 H496 | F410-R425 HydrophobicContact CZ-CG 4.4Å; F410-E426 HydrophobicContact CD2-CG 4.32Å; F410-E426 HydrophobicContact CE2-CG 4.07Å; F410-H496 WeakPolarHBondContact CB-CE1 3.47Å; F410-H496 VanDerWaalsContact CB-ND1 3.3Å; F410-H496 WeakPolarHBondContact CB-ND1 3.13Å; F410-H496 HydrophobicContact CD1-CB 3.64Å; F410-H496 AromaticContact CD1-CG 3.77Å; F410-H496 AromaticContact CD1-ND1 3.87Å; F410-H496 HydrophobicContact CD2-CB 3.8Å; F410-H496 AromaticContact CD2-CD2 3.29Å; F410-H496 WeakPolarHBondContact CD2-CD2 3.36Å; F410-H496 AromaticContact CD2-CE1 3.91Å; F410-H496 AromaticContact CD2-CG 3.33Å; F410-H496 AromaticContact CD2-ND1 3.71Å; F410-H496 AromaticContact CD2-NE2 3.65Å; F410-H496 HydrophobicContact CE1-CB 3.55Å; F410-H496 HydrophobicContact CE2-CB 3.72Å; F410-H496 AromaticContact CE2-CD2 3.68Å; F410-H496 AromaticContact CE2-CG 3.71Å; F410-H496 HydrophobicContact CG-CB 3.76Å; F410-H496 AromaticContact CG-CD2 3.79Å; F410-H496 AromaticContact CG-CE1 3.77Å; F410-H496 AromaticContact CG-CG 3.36Å; F410-H496 AromaticContact CG-ND1 3.34Å; F410-H496 VanDerWaalsContact CG-ND1 3.34Å; F410-H496 WeakPolarHBondContact CG-ND1 3.18Å; F410-H496 AromaticContact CG-NE2 4Å; F410-H496 HydrophobicContact CZ-CB 3.59Å | ||
| 411 | F | 80.1 | Confident | 85.6 | Confident | 8 Ų | 8 | 52.5 Ų | 52.5 | 4% | 0.035 | 25% | 0.245 | C | C | . | . | trans | -99.8 | 154.6 | 176.8 | -62.5 | -61.2 | 0 | 0 | 0 | 112.9 | T408 E415 K416 K419 L421 | T408-F411 HydrophobicContact CG2-CD1 4.33Å; T408-F411 HydrophobicContact CG2-CE1 3.83Å; T408-F411 HydrophobicContact CG2-CZ 4.18Å; T408-F411 WeakPolarHBondContact O-CE2 3.47Å; T408-F411 WeakPolarHBondContact O-CZ 3.31Å; F411-E415 HydrophobicContact CB-CB 3.84Å; F411-E415 HydrophobicContact CD1-CB 4.43Å; F411-E415 HydrophobicContact CG-CB 4.41Å; F411-K416 HydrophobicContact CB-CG 3.95Å; F411-K416 WeakPolarHBondContact O-CE 3.29Å; F411-K419 HydrophobicContact CD1-CB 4.31Å; F411-K419 HydrophobicContact CD1-CD 3.48Å; F411-K419 VanDerWaalsContact CD1-CD 3.48Å; F411-K419 HydrophobicContact CD2-CB 4.33Å; F411-K419 HydrophobicContact CE1-CB 4.18Å; F411-K419 HydrophobicContact CE1-CD 3.35Å; F411-K419 HydrophobicContact CE1-CG 4.4Å; F411-K419 HydrophobicContact CE2-CB 4.18Å; F411-K419 HydrophobicContact CG-CB 4.39Å; F411-K419 HydrophobicContact CG-CD 4.28Å; F411-K419 HydrophobicContact CZ-CB 4.1Å; F411-K419 HydrophobicContact CZ-CD 4.06Å; F411-L421 HydrophobicContact CD2-CD1 3.96Å; F411-L421 HydrophobicContact CD2-CG 4.06Å; F411-L421 HydrophobicContact CE2-CD1 4.36Å; F411-L421 HydrophobicContact CE2-CG 4.25Å | ||
| 412 | Q | 76.5 | Confident | 84.9 | Confident | 46 Ų | 46 | 53.3 Ų | 53.3 | 22% | 0.215 | 25% | 0.25 | C | S | . | . | trans | -63.1 | 154.9 | 166.1 | -60.1 | -54 | -41.2 | 0 | 0 | 111.4 | E414 E415 K416 | Q412-E414 WeakPolarHBondContact CB-OE2 3.26Å; Q412-E414 PolarHBondContact O-N 2.87Å; Q412-E414 VanDerWaalsContact O-N 3.16Å; Q412-E415 HydrophobicContact CB-CB 4.36Å; Q412-E415 HydrophobicContact CB-CG 4.07Å; Q412-E415 WeakPolarHBondContact CB-OE2 3.18Å; Q412-E415 WeakPolarHBondContact CG-OE2 3.27Å; Q412-E415 PolarHBondContact N-OE2 2.89Å; Q412-E415 WeakPolarHBondContact O-CB 3.49Å; Q412-E415 PolarHBondContact O-N 2.85Å; Q412-K416 WeakPolarHBondContact O-CG 3.47Å; Q412-K416 PolarHBondContact O-N 2.79Å | ||
| 413 | P | 75.8 | Confident | 84.1 | Confident | 52 Ų | 52 | 58.1 Ų | 58.1 | 34% | 0.338 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -36.5 | 177.9 | -27.5 | 35.8 | 0 | 0 | 0 | 114.1 | E502 | P413-E502 HydrophobicContact CG-CG 4.13Š|
| 414 | E | 79.3 | Confident | 83.7 | Confident | 120 Ų | 120 | 57.1 Ų | 57.1 | 56% | 0.561 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -38.9 | 178.5 | -56.7 | 72.6 | -152.7 | 0 | 0 | 111.1 | Q412 Q417 Y418 | Q412-E414 WeakPolarHBondContact CB-OE2 3.26Å; Q412-E414 PolarHBondContact O-N 2.87Å; Q412-E414 VanDerWaalsContact O-N 3.16Å; E414-Q417 PolarHBondContact O-N 2.92Å; E414-Y418 WeakPolarHBondContact O-CD1 3.15Å; E414-Y418 WeakPolarHBondContact O-CE1 3.21Å |
| 415 | E | 80.2 | Confident | 83.4 | Confident | 43 Ų | 43 | 58.4 Ų | 58.4 | 20% | 0.201 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -69.9 | -34 | -179.3 | -69.7 | -178.6 | 119.4 | 0 | 0 | 112.8 | F411 Q412 Q417 Y418 K419 | F411-E415 HydrophobicContact CB-CB 3.84Å; F411-E415 HydrophobicContact CD1-CB 4.43Å; F411-E415 HydrophobicContact CG-CB 4.41Å; Q412-E415 HydrophobicContact CB-CB 4.36Å; Q412-E415 HydrophobicContact CB-CG 4.07Å; Q412-E415 WeakPolarHBondContact CB-OE2 3.18Å; Q412-E415 WeakPolarHBondContact CG-OE2 3.27Å; Q412-E415 PolarHBondContact N-OE2 2.89Å; Q412-E415 WeakPolarHBondContact O-CB 3.49Å; Q412-E415 PolarHBondContact O-N 2.85Å; E415-Q417 PolarHBondContact O-N 2.94Å; E415-Y418 WeakPolarHBondContact CG-OH 3.45Å; E415-Y418 PolarHBondContact O-N 3.13Å; E415-Y418 VanDerWaalsContact O-N 3.11Å; E415-K419 HydrophobicContact CB-CD 4.14Å; E415-K419 HydrophobicContact CB-CG 4.44Å; E415-K419 HydrophobicContact CG-CD 4.49Å; E415-K419 WeakPolarHBondContact O-CB 3.47Å; E415-K419 PolarHBondContact O-N 3.26Å; E415-K419 WeakPolarHBondContact OE1-CE 3.41Å; E415-K419 IonicContact OE1-NZ 2.72Å; E415-K419 PolarHBondContact OE1-NZ 3.22Å |
| 416 | K | 76.3 | Confident | 83.3 | Confident | 91 Ų | 91 | 58.8 Ų | 58.8 | 40% | 0.396 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -57.9 | -17.5 | 178.2 | -70.8 | 174.8 | -177.3 | 169.8 | 0 | 113.5 | F411 Q412 L421 E502 | F411-K416 HydrophobicContact CB-CG 3.95Å; F411-K416 WeakPolarHBondContact O-CE 3.29Å; Q412-K416 WeakPolarHBondContact O-CG 3.47Å; Q412-K416 PolarHBondContact O-N 2.79Å; K416-L421 HydrophobicContact CG-CD1 4.45Å; K416-E502 IonicContact NZ-OE1 2.73Å; K416-E502 PolarHBondContact NZ-OE1 2.89Å; K416-E502 IonicContact NZ-OE2 2.87Å |
| 417 | Q | 75.9 | Confident | 83.3 | Confident | 173 Ų | 173 | 59 Ų | 59 | 81% | 0.808 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -78.1 | -27.4 | 179.7 | -62.8 | -174.2 | 9 | 0 | 0 | 113.5 | E414 E415 | E414-Q417 PolarHBondContact O-N 2.92Å; E415-Q417 PolarHBondContact O-N 2.94Å |
| 418 | Y | 79.9 | Confident | 83.4 | Confident | 163 Ų | 163 | 59 Ų | 59 | 64% | 0.639 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.5 | -18 | -173.3 | 58.2 | -95.1 | 0 | 0 | 0 | 113.8 | E414 E415 | E414-Y418 WeakPolarHBondContact O-CD1 3.15Å; E414-Y418 WeakPolarHBondContact O-CE1 3.21Å; E415-Y418 WeakPolarHBondContact CG-OH 3.45Å; E415-Y418 PolarHBondContact O-N 3.13Å; E415-Y418 VanDerWaalsContact O-N 3.11Å |
| 419 | K | 80.9 | Confident | 83.7 | Confident | 30 Ų | 30 | 58 Ų | 58 | 13% | 0.13 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -89.4 | 137 | 170.7 | -64.1 | -168.2 | 176.6 | 179.1 | 0 | 110.2 | F411 E415 E664 | F411-K419 HydrophobicContact CD1-CB 4.31Å; F411-K419 HydrophobicContact CD1-CD 3.48Å; F411-K419 VanDerWaalsContact CD1-CD 3.48Å; F411-K419 HydrophobicContact CD2-CB 4.33Å; F411-K419 HydrophobicContact CE1-CB 4.18Å; F411-K419 HydrophobicContact CE1-CD 3.35Å; F411-K419 HydrophobicContact CE1-CG 4.4Å; F411-K419 HydrophobicContact CE2-CB 4.18Å; F411-K419 HydrophobicContact CG-CB 4.39Å; F411-K419 HydrophobicContact CG-CD 4.28Å; F411-K419 HydrophobicContact CZ-CB 4.1Å; F411-K419 HydrophobicContact CZ-CD 4.06Å; E415-K419 HydrophobicContact CB-CD 4.14Å; E415-K419 HydrophobicContact CB-CG 4.44Å; E415-K419 HydrophobicContact CG-CD 4.49Å; E415-K419 WeakPolarHBondContact O-CB 3.47Å; E415-K419 PolarHBondContact O-N 3.26Å; E415-K419 WeakPolarHBondContact OE1-CE 3.41Å; E415-K419 IonicContact OE1-NZ 2.72Å; E415-K419 PolarHBondContact OE1-NZ 3.22Å; K419-E664 WeakPolarHBondContact CE-OE2 3.45Å; K419-E664 IonicContact NZ-OE1 3.26Å; K419-E664 PolarHBondContact NZ-OE1 3.24Å; K419-E664 IonicContact NZ-OE2 2.79Å; K419-E664 PolarHBondContact NZ-OE2 2.7Å; K419-E664 VanDerWaalsContact NZ-OE2 3.09Å |
| 420 | K | 75.9 | Confident | 84.1 | Confident | 120 Ų | 120 | 58.7 Ų | 58.7 | 52% | 0.522 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -83.7 | 131.4 | 176.5 | -167.7 | -176.3 | -171.2 | -179.1 | 0 | 109.9 | E690 | K420-E690 HydrophobicContact CD-CG 4.48Å; K420-E690 WeakPolarHBondContact CD-OE1 3.47Å; K420-E690 WeakPolarHBondContact CE-OE1 3.49Å; K420-E690 IonicContact NZ-OE1 3.45Å; K420-E690 PolarHBondContact NZ-OE1 2.78Å |
| 421 | L | 81 | Confident | 84.7 | Confident | 90 Ų | 90 | 56.1 Ų | 56.1 | 47% | 0.471 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -78 | 133.1 | 175.7 | -82.3 | 74.4 | 0 | 0 | 0 | 110.4 | F411 K416 | F411-L421 HydrophobicContact CD2-CD1 3.96Å; F411-L421 HydrophobicContact CD2-CG 4.06Å; F411-L421 HydrophobicContact CE2-CD1 4.36Å; F411-L421 HydrophobicContact CE2-CG 4.25Å; K416-L421 HydrophobicContact CG-CD1 4.45Å |
| 422 | P | 83.8 | Confident | 85.5 | Confident | 17 Ų | 17 | 55.7 Ų | 55.7 | 11% | 0.11 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -55.3 | 151.9 | 166.4 | -25.3 | 34.8 | 0 | 0 | 0 | 111.9 | M406 T408 T424 | M406-P422 HydrophobicContact CB-CB 4.12Å; M406-P422 WeakPolarHBondContact O-CB 3.39Å; M406-P422 WeakPolarHBondContact O-CG 3.25Å; T408-P422 WeakPolarHBondContact O-CD 3.37Å; T408-P422 VanDerWaalsContact O-CG 3.23Å; T408-P422 WeakPolarHBondContact O-CG 3.49Å; P422-T424 WeakPolarHBondContact CB-O 3.32Å; P422-T424 PolarHBondContact O-N 3.11Å |
| 423 | T | 81.2 | Confident | 86.5 | Confident | 102 Ų | 102 | 56.9 Ų | 56.9 | 63% | 0.626 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -73.8 | -18.4 | 176.9 | 48.4 | 0 | 0 | 0 | 0 | 113.4 | ||
| 424 | T | 88 | Confident | 87.4 | Confident | 16 Ų | 16 | 55 Ų | 55 | 10% | 0.098 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -135.3 | 150.6 | -172.2 | 58.2 | 0 | 0 | 0 | 0 | 108.7 | M406 P422 D430 S431 T434 | M406-T424 WeakPolarHBondContact CB-OG1 3.43Å; M406-T424 WeakPolarHBondContact CG-OG1 3.28Å; P422-T424 WeakPolarHBondContact CB-O 3.32Å; P422-T424 PolarHBondContact O-N 3.11Å; T424-D430 WeakPolarHBondContact CG2-OD2 3.49Å; T424-S431 WeakPolarHBondContact OG1-CA 3.19Å; T424-T434 HydrophobicContact CG2-CG2 4.39Å |
| 425 | R | 90.8 | Very high | 88.2 | Confident | 52 Ų | 52 | 49.3 Ų | 49.3 | 20% | 0.196 | 23% | 0.23 | C | C | . | . | trans | -68.7 | 137 | -177.2 | -176.3 | 177.7 | 179.9 | 164.2 | 1.2 | 111.5 | S409 F410 T428 S431 | S409-R425 WeakPolarHBondContact OG-CA 3.37Å; F410-R425 HydrophobicContact CZ-CG 4.4Å; R425-T428 HydrophobicContact CB-CG2 3.88Å; R425-T428 HydrophobicContact CG-CG2 4.04Å; R425-T428 WeakPolarHBondContact O-CG2 3.42Å; R425-T428 PolarHBondContact O-OG1 2.89Å; R425-S431 WeakPolarHBondContact O-CB 3.41Å | ||
| 426 | E | 94 | Very high | 88.9 | Confident | 8 Ų | 8 | 48.5 Ų | 48.5 | 4% | 0.037 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 148 | 176.6 | 70.4 | -177.1 | -120.5 | 0 | 0 | 112.4 | R404 G407 T408 S409 F410 T428 | R404-E426 HydrophobicContact CB-CB 3.76Å; R404-E426 WeakPolarHBondContact CD-OE1 3.45Å; R404-E426 IonicContact CZ-OE1 3.81Å; R404-E426 IonicContact NH1-OE1 2.67Å; R404-E426 PolarHBondContact NH1-OE1 3.07Å; R404-E426 IonicContact NH1-OE2 3.8Å; G407-E426 VanDerWaalsContact O-CB 3.26Å; G407-E426 WeakPolarHBondContact O-CB 3.38Å; T408-E426 WeakPolarHBondContact CA-OE2 3.26Å; S409-E426 PolarHBondContact N-OE2 2.84Å; S409-E426 PolarHBondContact OG-N 3.01Å; F410-E426 HydrophobicContact CD2-CG 4.32Å; F410-E426 HydrophobicContact CE2-CG 4.07Å; E426-T428 VanDerWaalsContact C-N 3.26Å; E426-T428 PolarHBondContact O-N 3.04Å |
| 427 | N | 96.2 | Very high | 89.8 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 38.2 | 175.9 | -76.7 | -37.4 | 0 | 0 | 0 | 114.1 | R404 M445 D446 V457 P523 | R404-N427 PolarHBondContact O-N 3.4Å; N427-M445 WeakPolarHBondContact OD1-CA 3.38Å; N427-D446 PolarHBondContact ND2-OD2 2.87Å; N427-V457 HydrophobicContact CB-CG1 3.91Å; N427-V457 WeakPolarHBondContact OD1-CG1 3.35Å; N427-P523 WeakPolarHBondContact O-CD 3.48Å; N427-P523 WeakPolarHBondContact O-CG 3.43Å |
| 428 | T | 95.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -118.1 | 156.4 | 173.8 | 63.3 | 0 | 0 | 0 | 0 | 111.4 | R425 E426 D430 S431 F432 E518 | R425-T428 HydrophobicContact CB-CG2 3.88Å; R425-T428 HydrophobicContact CG-CG2 4.04Å; R425-T428 WeakPolarHBondContact O-CG2 3.42Å; R425-T428 PolarHBondContact O-OG1 2.89Å; E426-T428 VanDerWaalsContact C-N 3.26Å; E426-T428 PolarHBondContact O-N 3.04Å; T428-D430 PolarHBondContact O-N 3.38Å; T428-S431 WeakPolarHBondContact O-CB 3.33Å; T428-S431 PolarHBondContact O-N 2.8Å; T428-S431 VanDerWaalsContact OG1-CB 3.26Å; T428-S431 WeakPolarHBondContact OG1-CB 3.32Å; T428-S431 PolarHBondContact OG1-N 3.44Å; T428-S431 VanDerWaalsContact OG1-N 3.16Å; T428-F432 WeakPolarHBondContact O-CD2 3.38Å; T428-F432 WeakPolarHBondContact O-CG 3.47Å; T428-F432 PolarHBondContact O-N 2.83Å; T428-F432 VanDerWaalsContact O-N 3.09Å; T428-E518 WeakPolarHBondContact CB-O 3.45Å |
| 429 | L | 96.2 | Very high | 91.5 | Very high | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.016 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.9 | -37.8 | 175.7 | -66 | 171.9 | 0 | 0 | 0 | 111.3 | F432 R433 E518 P523 C528 I532 | L429-F432 PolarHBondContact O-N 3.13Å; L429-R433 WeakPolarHBondContact O-CB 3.36Å; L429-R433 VanDerWaalsContact O-CG 3.27Å; L429-R433 WeakPolarHBondContact O-CG 3.3Å; L429-R433 PolarHBondContact O-N 3.39Å; L429-E518 HydrophobicContact CB-CB 4.07Å; L429-E518 PolarHBondContact N-O 2.81Å; L429-P523 HydrophobicContact CD2-CB 4.44Å; L429-P523 HydrophobicContact CG-CB 4.07Å; L429-C528 HydrophobicContact CD2-CB 4.36Å; L429-I532 HydrophobicContact CB-CD1 4.36Å; L429-I532 HydrophobicContact CD2-CD1 3.94Å; L429-I532 HydrophobicContact CD2-CG1 4.09Å |
| 430 | D | 95.4 | Very high | 92.2 | Very high | 41 Ų | 41 | 31.8 Ų | 31.8 | 22% | 0.219 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.7 | -39.8 | 176.9 | -173.7 | 61.2 | 0 | 0 | 0 | 112.6 | T424 T428 F432 R433 T434 E518 L519 | T424-D430 WeakPolarHBondContact CG2-OD2 3.49Å; T428-D430 PolarHBondContact O-N 3.38Å; D430-F432 PolarHBondContact O-N 3.16Å; D430-R433 PolarHBondContact O-N 2.86Å; D430-T434 VanDerWaalsContact O-CB 3.31Å; D430-T434 WeakPolarHBondContact O-CB 3.41Å; D430-T434 PolarHBondContact O-N 3.43Å; D430-T434 PolarHBondContact O-OG1 2.94Å; D430-E518 HydrophobicContact CB-CB 4.36Å; D430-E518 HydrophobicContact CB-CG 4.38Å; D430-E518 WeakPolarHBondContact CB-O 3.23Å; D430-E518 PolarHBondContact N-O 2.72Å; D430-L519 HydrophobicContact CB-CD2 3.65Å; D430-L519 HydrophobicContact CB-CG 4.35Å; D430-L519 WeakPolarHBondContact OD2-CD2 3.22Å |
| 431 | S | 96.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.8 | -44.8 | 173.6 | -176.5 | 0 | 0 | 0 | 0 | 112 | R404 G405 M406 T424 R425 T428 T434 A435 | R404-S431 PolarHBondContact O-OG 3.3Å; R404-S431 VanDerWaalsContact O-OG 3.1Å; G405-S431 WeakPolarHBondContact CA-OG 3.45Å; M406-S431 WeakPolarHBondContact CG-O 3.47Å; M406-S431 PolarHBondContact N-OG 3.11Å; T424-S431 WeakPolarHBondContact OG1-CA 3.19Å; R425-S431 WeakPolarHBondContact O-CB 3.41Å; T428-S431 WeakPolarHBondContact O-CB 3.33Å; T428-S431 PolarHBondContact O-N 2.8Å; T428-S431 VanDerWaalsContact OG1-CB 3.26Å; T428-S431 WeakPolarHBondContact OG1-CB 3.32Å; T428-S431 PolarHBondContact OG1-N 3.44Å; T428-S431 VanDerWaalsContact OG1-N 3.16Å; S431-T434 PolarHBondContact O-N 3Å; S431-A435 PolarHBondContact O-N 3.35Å |
| 432 | F | 97.4 | Very high | 94 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.7 | -42.7 | 175.5 | -56.5 | -38.9 | 0 | 0 | 0 | 112.5 | T428 L429 D430 T434 A435 V436 V443 M445 V457 I532 | T428-F432 WeakPolarHBondContact O-CD2 3.38Å; T428-F432 WeakPolarHBondContact O-CG 3.47Å; T428-F432 PolarHBondContact O-N 2.83Å; T428-F432 VanDerWaalsContact O-N 3.09Å; L429-F432 PolarHBondContact O-N 3.13Å; D430-F432 PolarHBondContact O-N 3.16Å; F432-T434 VanDerWaalsContact C-N 3.28Å; F432-T434 PolarHBondContact O-N 3.38Å; F432-A435 PolarHBondContact O-N 2.71Å; F432-V436 WeakPolarHBondContact O-CG2 3.45Å; F432-V436 PolarHBondContact O-N 3.33Å; F432-V443 HydrophobicContact CD1-CB 3.9Å; F432-V443 HydrophobicContact CD1-CG1 4.1Å; F432-V443 HydrophobicContact CD1-CG2 3.69Å; F432-V443 HydrophobicContact CE1-CB 4.26Å; F432-V443 HydrophobicContact CE1-CG2 4.09Å; F432-V443 HydrophobicContact CG-CG2 4.29Å; F432-M445 HydrophobicContact CE1-CB 4.13Å; F432-M445 HydrophobicContact CE1-CE 4.26Å; F432-M445 HydrophobicContact CE2-CE 4.17Å; F432-M445 HydrophobicContact CZ-CB 3.73Å; F432-M445 HydrophobicContact CZ-CE 3.97Å; F432-M445 HydrophobicContact CZ-SD 4.48Å; F432-V457 HydrophobicContact CE2-CG1 4.43Å; F432-V457 HydrophobicContact CZ-CG1 4.11Å; F432-I532 HydrophobicContact CB-CD1 3.76Å; F432-I532 HydrophobicContact CB-CG1 4.1Å; F432-I532 HydrophobicContact CB-CG2 4.29Å; F432-I532 HydrophobicContact CD2-CG1 4.45Å |
| 433 | R | 96.2 | Very high | 94.7 | Very high | 70 Ų | 70 | 21.3 Ų | 21.3 | 26% | 0.264 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -60.4 | -39.8 | 174.4 | -73 | 171.8 | -173.1 | 159.8 | 6 | 111.4 | L429 D430 V436 Q437 E531 I532 | L429-R433 WeakPolarHBondContact O-CB 3.36Å; L429-R433 VanDerWaalsContact O-CG 3.27Å; L429-R433 WeakPolarHBondContact O-CG 3.3Å; L429-R433 PolarHBondContact O-N 3.39Å; D430-R433 PolarHBondContact O-N 2.86Å; R433-V436 WeakPolarHBondContact O-CB 3.33Å; R433-V436 PolarHBondContact O-N 3Å; R433-Q437 WeakPolarHBondContact O-CG 3.43Å; R433-Q437 PolarHBondContact O-N 2.81Å; R433-E531 IonicContact NH2-OE2 3.17Å; R433-E531 PolarHBondContact NH2-OE2 3.33Å; R433-I532 HydrophobicContact CG-CD1 3.77Å |
| 434 | T | 95.2 | Very high | 95.5 | Very high | 13 Ų | 13 | 16.8 Ų | 16.8 | 8% | 0.08 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -67.7 | -39.7 | 178.1 | -61.7 | 0 | 0 | 0 | 0 | 111.3 | M406 T424 D430 S431 F432 V436 Q437 H438 | M406-T434 HydrophobicContact CE-CG2 4.12Å; M406-T434 HydrophobicContact CG-CG2 3.81Å; M406-T434 HydrophobicContact SD-CG2 3.77Å; T424-T434 HydrophobicContact CG2-CG2 4.39Å; D430-T434 VanDerWaalsContact O-CB 3.31Å; D430-T434 WeakPolarHBondContact O-CB 3.41Å; D430-T434 PolarHBondContact O-N 3.43Å; D430-T434 PolarHBondContact O-OG1 2.94Å; S431-T434 PolarHBondContact O-N 3Å; F432-T434 VanDerWaalsContact C-N 3.28Å; F432-T434 PolarHBondContact O-N 3.38Å; T434-V436 VanDerWaalsContact C-N 3.34Å; T434-V436 PolarHBondContact O-N 3.06Å; T434-Q437 WeakPolarHBondContact O-CB 3.1Å; T434-Q437 PolarHBondContact O-N 2.85Å; T434-H438 PolarHBondContact O-N 2.93Å; T434-H438 PolarHBondContact O-ND1 2.69Å |
| 435 | A | 96 | Very high | 96 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60.8 | -41.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | M406 S431 F432 Q437 H438 G439 A440 V443 | M406-A435 HydrophobicContact SD-CB 3.98Å; M406-A435 PolarHBondContact SD-N 2.97Å; S431-A435 PolarHBondContact O-N 3.35Å; F432-A435 PolarHBondContact O-N 2.71Å; A435-Q437 VanDerWaalsContact C-N 3.34Å; A435-Q437 PolarHBondContact O-N 2.99Å; A435-H438 CarbonylContact O-C 3.46Å; A435-H438 PolarHBondContact O-N 3.43Å; A435-G439 PolarHBondContact O-N 3.14Å; A435-A440 HydrophobicContact CB-CB 3.9Å; A435-A440 WeakPolarHBondContact O-CB 3.42Å; A435-A440 PolarHBondContact O-N 3.16Å; A435-A440 VanDerWaalsContact O-N 3.09Å; A435-V443 HydrophobicContact CB-CG1 3.54Å |
| 436 | V | 95.4 | Very high | 96.4 | Very high | 27 Ų | 27 | 13.6 Ų | 13.6 | 16% | 0.164 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -58.8 | -44.7 | 173.1 | 174 | 0 | 0 | 0 | 0 | 111.5 | F432 R433 T434 H438 G439 I532 D533 L536 | F432-V436 WeakPolarHBondContact O-CG2 3.45Å; F432-V436 PolarHBondContact O-N 3.33Å; R433-V436 WeakPolarHBondContact O-CB 3.33Å; R433-V436 PolarHBondContact O-N 3Å; T434-V436 VanDerWaalsContact C-N 3.34Å; T434-V436 PolarHBondContact O-N 3.06Å; V436-H438 PolarHBondContact O-N 3.28Å; V436-G439 PolarHBondContact O-N 3.25Å; V436-I532 HydrophobicContact CG2-CG2 4.28Å; V436-D533 HydrophobicContact CG1-CB 3.84Å; V436-D533 HydrophobicContact CG2-CB 3.96Å; V436-L536 HydrophobicContact CG2-CB 3.99Å; V436-L536 HydrophobicContact CG2-CD1 4.18Å; V436-L536 HydrophobicContact CG2-CD2 3.42Å; V436-L536 VanDerWaalsContact CG2-CD2 3.42Å; V436-L536 HydrophobicContact CG2-CG 4.06Å |
| 437 | Q | 95.1 | Very high | 96.6 | Very high | 78 Ų | 78 | 13.2 Ų | 13.2 | 36% | 0.364 | 6% | 0.064 | S | C | . | . | H | α-helix | trans | -62.3 | -23.6 | -179.8 | -71.3 | 175.3 | 29.4 | 0 | 0 | 113.1 | R433 T434 A435 K694 G695 | R433-Q437 WeakPolarHBondContact O-CG 3.43Å; R433-Q437 PolarHBondContact O-N 2.81Å; T434-Q437 WeakPolarHBondContact O-CB 3.1Å; T434-Q437 PolarHBondContact O-N 2.85Å; A435-Q437 VanDerWaalsContact C-N 3.34Å; A435-Q437 PolarHBondContact O-N 2.99Å; Q437-K694 HydrophobicContact CB-CG 4.47Å; Q437-K694 WeakPolarHBondContact O-CA 3.33Å; Q437-G695 PolarHBondContact O-N 3.49Å |
| 438 | H | 95.2 | Very high | 96.7 | Very high | 24 Ų | 24 | 13 Ų | 13 | 11% | 0.111 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 17.1 | 177.7 | -59.2 | 88.3 | 0 | 0 | 0 | 112.3 | T434 A435 V436 A440 N689 K692 | T434-H438 PolarHBondContact O-N 2.93Å; T434-H438 PolarHBondContact O-ND1 2.69Å; A435-H438 CarbonylContact O-C 3.46Å; A435-H438 PolarHBondContact O-N 3.43Å; V436-H438 PolarHBondContact O-N 3.28Å; H438-A440 PolarHBondContact O-N 3.33Å; H438-N689 HydrophobicContact CB-CB 4.19Å; H438-N689 WeakPolarHBondContact CD2-CB 3.4Å; H438-K692 HydrophobicContact CB-CB 4.38Å; H438-K692 PolarHBondContact CD2-O 3.09Å; H438-K692 VanDerWaalsContact CD2-O 3.3Å; H438-K692 WeakPolarHBondContact O-CB 3.5Å; H438-K692 WeakPolarHBondContact O-CD 3.46Å |
| 439 | G | 94.9 | Very high | 96.8 | Very high | 2 Ų | 2 | 13 Ų | 13 | 2% | 0.021 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 31.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | A435 V436 K692 T696 | A435-G439 PolarHBondContact O-N 3.14Å; V436-G439 PolarHBondContact O-N 3.25Å; G439-K692 PolarHBondContact O-NZ 2.92Å; G439-T696 WeakPolarHBondContact CA-O 3.34Å; G439-T696 PolarHBondContact N-O 2.78Å |
| 440 | A | 96.5 | Very high | 96.9 | Very high | 2 Ų | 2 | 12.9 Ų | 12.9 | 2% | 0.017 | 6% | 0.062 | C | C | . | . | trans | -57.3 | 139.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | A435 H438 L536 V688 S698 | A435-A440 HydrophobicContact CB-CB 3.9Å; A435-A440 WeakPolarHBondContact O-CB 3.42Å; A435-A440 PolarHBondContact O-N 3.16Å; A435-A440 VanDerWaalsContact O-N 3.09Å; H438-A440 PolarHBondContact O-N 3.33Å; A440-L536 HydrophobicContact CB-CD1 4.15Å; A440-L536 WeakPolarHBondContact O-CD1 3.47Å; A440-V688 HydrophobicContact CB-CG1 4.21Å; A440-S698 VanDerWaalsContact O-CB 3.27Å; A440-S698 WeakPolarHBondContact O-CB 3.47Å | ||
| 441 | D | 96.4 | Very high | 97 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -83.5 | -43.8 | 176.6 | -61.3 | -48.9 | 0 | 0 | 0 | 110.2 | V399 D400 G537 S698 V699 F700 | V399-D441 HydrophobicContact CB-CB 4.03Å; V399-D441 HydrophobicContact CG1-CB 4.5Å; D400-D441 PolarHBondContact N-OD2 3.01Å; D400-D441 WeakPolarHBondContact O-CB 3.32Å; D400-D441 PolarHBondContact O-N 3.41Å; D441-G537 PolarHBondContact O-N 3.45Å; D441-S698 WeakPolarHBondContact OD1-CA 3.43Å; D441-S698 WeakPolarHBondContact OD1-CB 3.37Å; D441-V699 WeakPolarHBondContact OD1-CB 3.01Å; D441-V699 WeakPolarHBondContact OD1-CG2 2.88Å; D441-V699 PolarHBondContact OD1-N 2.9Å; D441-F700 HydrophobicContact CB-CD2 4.47Å; D441-F700 HydrophobicContact CB-CE2 4.07Å; D441-F700 WeakPolarHBondContact O-CD2 3.16Å; D441-F700 WeakPolarHBondContact O-CE2 3.43Å |
| 442 | F | 98.1 | Very high | 97.1 | Very high | 7 Ų | 7 | 18.6 Ų | 18.6 | 3% | 0.031 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 164.6 | 168.4 | -66.5 | -105.6 | 0 | 0 | 0 | 111.2 | V399 D400 I401 G402 G537 V539 R580 L582 F700 | V399-F442 HydrophobicContact CG2-CD2 4.22Å; V399-F442 HydrophobicContact CG2-CE2 4.27Å; D400-F442 PolarHBondContact O-N 2.63Å; I401-F442 WeakPolarHBondContact CA-O 3.39Å; I401-F442 HydrophobicContact CB-CB 4.22Å; I401-F442 HydrophobicContact CD1-CB 4.43Å; I401-F442 HydrophobicContact CG1-CB 3.98Å; I401-F442 HydrophobicContact CG1-CD2 4.4Å; I401-F442 HydrophobicContact CG2-CB 3.77Å; G402-F442 PolarHBondContact N-O 3.31Å; F442-G537 CarbonylContact C-O 3.59Å; F442-G537 WeakPolarHBondContact CA-O 3.38Å; F442-G537 WeakPolarHBondContact CB-O 3.49Å; F442-V539 HydrophobicContact CB-CG2 4.19Å; F442-V539 HydrophobicContact CD1-CG2 4.08Å; F442-V539 HydrophobicContact CG-CG2 4.33Å; F442-R580 HydrophobicContact CE1-CB 4.14Å; F442-R580 HydrophobicContact CZ-CB 4.41Å; F442-L582 HydrophobicContact CE1-CD1 4.29Å; F442-L582 HydrophobicContact CE1-CG 4Å; F442-L582 HydrophobicContact CZ-CD1 4.39Å; F442-L582 HydrophobicContact CZ-CG 4.4Å; F442-F700 AromaticContact CD2-CE2 3.85Å; F442-F700 HydrophobicContact CD2-CE2 3.85Å; F442-F700 HydrophobicContact CD2-CZ 4.07Å; F442-F700 AromaticContact CE2-CE2 3.49Å; F442-F700 HydrophobicContact CE2-CE2 3.49Å; F442-F700 VanDerWaalsContact CE2-CE2 3.49Å; F442-F700 AromaticContact CE2-CZ 3.29Å; F442-F700 HydrophobicContact CE2-CZ 3.29Å; F442-F700 AromaticContact CZ-CE2 3.84Å; F442-F700 HydrophobicContact CZ-CE2 3.84Å; F442-F700 AromaticContact CZ-CZ 3.65Å; F442-F700 HydrophobicContact CZ-CZ 3.65Å |
| 443 | V | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 142.5 | 154.5 | -67.8 | 0 | 0 | 0 | 0 | 108.5 | G402 F432 A435 M445 L536 G537 F538 V539 | G402-V443 CarbonylContact O-C 3.58Å; G402-V443 WeakPolarHBondContact O-CA 3.33Å; F432-V443 HydrophobicContact CD1-CB 3.9Å; F432-V443 HydrophobicContact CD1-CG1 4.1Å; F432-V443 HydrophobicContact CD1-CG2 3.69Å; F432-V443 HydrophobicContact CE1-CB 4.26Å; F432-V443 HydrophobicContact CE1-CG2 4.09Å; F432-V443 HydrophobicContact CG-CG2 4.29Å; A435-V443 HydrophobicContact CB-CG1 3.54Å; V443-M445 HydrophobicContact CG2-CE 3.84Å; V443-L536 HydrophobicContact CB-CD2 4.39Å; V443-L536 HydrophobicContact CG1-CD1 4.31Å; V443-L536 HydrophobicContact CG1-CD2 3.82Å; V443-L536 HydrophobicContact CG1-CG 4.47Å; V443-L536 HydrophobicContact CG2-CD2 3.72Å; V443-L536 HydrophobicContact CG2-CG 4.32Å; V443-G537 PolarHBondContact N-O 3.24Å; V443-F538 HydrophobicContact CG2-CD1 3.68Å; V443-F538 HydrophobicContact CG2-CE1 3.96Å; V443-F538 CarbonylContact O-C 3.4Å; V443-F538 WeakPolarHBondContact O-CA 3.22Å; V443-V539 PolarHBondContact O-N 3.15Å |
| 444 | E | 98.6 | Very high | 97.2 | Very high | 6 Ų | 6 | 22.5 Ų | 22.5 | 3% | 0.028 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 145.1 | 166.1 | 179.8 | -70.6 | 140.7 | 0 | 0 | 108.6 | I401 G402 H403 R404 G405 V539 I684 | I401-E444 HydrophobicContact CG2-CB 3.94Å; G402-E444 PolarHBondContact O-N 3.44Å; H403-E444 IonicContact CD2-OE2 3.62Å; H403-E444 PolarHBondContact CD2-OE2 2.77Å; H403-E444 IonicContact NE2-OE2 3.69Å; R404-E444 WeakPolarHBondContact CA-O 3.35Å; R404-E444 PolarHBondContact N-O 3.25Å; R404-E444 PolarHBondContact N-OE2 2.75Å; G405-E444 PolarHBondContact N-O 3.12Å; E444-V539 CarbonylContact C-O 3.28Å; E444-V539 VanDerWaalsContact CA-O 3.29Å; E444-V539 WeakPolarHBondContact CA-O 3.48Å; E444-V539 HydrophobicContact CB-CB 4.06Å; E444-V539 HydrophobicContact CG-CB 4.25Å; E444-V539 HydrophobicContact CG-CG1 4.26Å; E444-I684 HydrophobicContact CB-CG2 3.92Å; E444-I684 HydrophobicContact CG-CG2 4.21Å |
| 445 | M | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 147.1 | 178.2 | 70.7 | -174.8 | 64.1 | 0 | 0 | 111.6 | N427 F432 V443 V447 V457 L525 F538 V539 I540 E541 | N427-M445 WeakPolarHBondContact OD1-CA 3.38Å; F432-M445 HydrophobicContact CE1-CB 4.13Å; F432-M445 HydrophobicContact CE1-CE 4.26Å; F432-M445 HydrophobicContact CE2-CE 4.17Å; F432-M445 HydrophobicContact CZ-CB 3.73Å; F432-M445 HydrophobicContact CZ-CE 3.97Å; F432-M445 HydrophobicContact CZ-SD 4.48Å; V443-M445 HydrophobicContact CG2-CE 3.84Å; M445-V447 HydrophobicContact CG-CG1 4.5Å; M445-V457 HydrophobicContact CB-CG1 3.74Å; M445-V457 HydrophobicContact CG-CG1 4.29Å; M445-V457 HydrophobicContact SD-CG1 4.46Å; M445-V457 HydrophobicContact SD-CG2 4.43Å; M445-L525 HydrophobicContact SD-CD1 3.81Å; M445-F538 HydrophobicContact CE-CB 3.96Å; M445-F538 HydrophobicContact CE-CD1 3.62Å; M445-F538 HydrophobicContact CE-CD2 3.48Å; M445-F538 VanDerWaalsContact CE-CD2 3.48Å; M445-F538 HydrophobicContact CE-CE1 3.94Å; M445-F538 HydrophobicContact CE-CE2 3.78Å; M445-F538 HydrophobicContact CE-CG 3.42Å; M445-F538 VanDerWaalsContact CE-CG 3.42Å; M445-F538 HydrophobicContact CE-CZ 4.02Å; M445-F538 HydrophobicContact SD-CD2 4.07Å; M445-F538 HydrophobicContact SD-CE2 4.47Å; M445-F538 HydrophobicContact SD-CG 4.42Å; M445-V539 PolarHBondContact N-O 3.43Å; M445-I540 HydrophobicContact CG-CG1 4.18Å; M445-I540 HydrophobicContact SD-CG1 4.24Å; M445-E541 PolarHBondContact O-N 2.97Å |
| 446 | D | 98.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 129 | 179.6 | -54.3 | -87.1 | 0 | 0 | 0 | 111.2 | R404 N427 V457 Y458 H459 K543 | R404-D446 IonicContact NE-OD2 2.66Å; N427-D446 PolarHBondContact ND2-OD2 2.87Å; D446-V457 CarbonylContact O-C 3.41Å; D446-V457 WeakPolarHBondContact O-CA 3.28Å; D446-V457 WeakPolarHBondContact O-CG1 3.28Å; D446-Y458 WeakPolarHBondContact CB-O 3.17Å; D446-Y458 PolarHBondContact O-N 2.58Å; D446-H459 HydrophobicContact CB-CB 4.25Å; D446-H459 IonicContact OD1-CD2 3.4Å; D446-H459 PolarHBondContact OD1-CD2 3.2Å; D446-H459 VanDerWaalsContact OD1-CD2 3.28Å; D446-H459 WeakPolarHBondContact OD2-CB 3.38Å; D446-H459 IonicContact OD2-CD2 2.73Å; D446-H459 IonicContact OD2-CG 2.73Å; D446-K543 HydrophobicContact CB-CD 4.01Å; D446-K543 HydrophobicContact CB-CG 4.03Å; D446-K543 WeakPolarHBondContact OD1-CD 3.26Å; D446-K543 IonicContact OD1-NZ 3.6Å |
| 447 | V | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 141.7 | 178.3 | -58.7 | 0 | 0 | 0 | 0 | 112.6 | M445 V455 V456 V457 L525 I540 E541 V542 K543 I568 | M445-V447 HydrophobicContact CG-CG1 4.5Å; V447-V455 HydrophobicContact CB-CG1 3.93Å; V447-V455 HydrophobicContact CG1-CG1 4.4Å; V447-V456 WeakPolarHBondContact CA-O 3.4Å; V447-V457 HydrophobicContact CG1-CG2 4.36Å; V447-L525 HydrophobicContact CG1-CD1 3.98Å; V447-L525 HydrophobicContact CG1-CD2 4.13Å; V447-L525 HydrophobicContact CG1-CG 4.47Å; V447-I540 HydrophobicContact CB-CG2 4.25Å; V447-I540 HydrophobicContact CG1-CG2 3.76Å; V447-I540 HydrophobicContact CG2-CG2 3.44Å; V447-I540 VanDerWaalsContact CG2-CG2 3.44Å; V447-E541 PolarHBondContact N-O 3.09Å; V447-V542 HydrophobicContact CG2-CG2 4.08Å; V447-K543 PolarHBondContact O-N 3.19Å; V447-I568 HydrophobicContact CG2-CD1 4.4Å; V447-I568 HydrophobicContact CG2-CG2 4.19Å |
| 448 | Q | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 173 | 174.5 | 63.8 | -175.1 | -67.7 | 0 | 0 | 112.1 | V455 V456 Y458 D460 T481 K543 Y564 | Q448-V455 WeakPolarHBondContact O-CA 3.46Å; Q448-V456 HydrophobicContact CG-CG2 4.01Å; Q448-V456 PolarHBondContact N-O 3.46Å; Q448-V456 WeakPolarHBondContact O-CG2 3.49Å; Q448-V456 PolarHBondContact O-N 3.24Å; Q448-Y458 PolarHBondContact NE2-O 3.04Å; Q448-D460 PolarHBondContact NE2-O 3.47Å; Q448-T481 HydrophobicContact CG-CG2 4.13Å; Q448-K543 HydrophobicContact CB-CB 4.39Å; Q448-Y564 VanDerWaalsContact CA-OH 3.23Å; Q448-Y564 WeakPolarHBondContact CA-OH 3.2Å; Q448-Y564 WeakPolarHBondContact CB-OH 3.44Å |
| 449 | L | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 141 | -179.4 | -61 | -173.2 | 0 | 0 | 0 | 112.7 | H454 V455 F559 F563 Y564 T567 I568 | L449-H454 WeakPolarHBondContact CA-O 3.4Å; L449-V455 HydrophobicContact CD2-CB 4.26Å; L449-V455 HydrophobicContact CD2-CG2 3.54Å; L449-F559 HydrophobicContact CB-CD2 4.2Å; L449-F559 HydrophobicContact CB-CE2 3.7Å; L449-F559 HydrophobicContact CB-CZ 4.07Å; L449-F563 HydrophobicContact CD1-CE1 4.17Å; L449-Y564 HydrophobicContact CB-CD2 4.28Å; L449-Y564 HydrophobicContact CB-CE2 3.89Å; L449-Y564 HydrophobicContact CD1-CD2 3.52Å; L449-Y564 HydrophobicContact CD1-CE2 3.93Å; L449-Y564 HydrophobicContact CD1-CG 4.39Å; L449-Y564 HydrophobicContact CG-CD2 3.7Å; L449-Y564 HydrophobicContact CG-CE2 3.54Å; L449-T567 HydrophobicContact CD1-CG2 4.05Å; L449-T567 HydrophobicContact CD2-CG2 3.91Å; L449-I568 HydrophobicContact CD2-CG1 3.99Å; L449-I568 HydrophobicContact CG-CG1 4.48Å |
| 450 | T | 97.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | trans | -77.2 | 173.5 | 162.9 | 64.8 | 0 | 0 | 0 | 0 | 111.2 | D452 H453 H454 V456 L484 Y486 L489 F559 | T450-D452 VanDerWaalsContact C-N 3.29Å; T450-D452 WeakPolarHBondContact CB-OD1 3.32Å; T450-D452 PolarHBondContact O-N 2.95Å; T450-D452 PolarHBondContact OG1-OD1 3.32Å; T450-H453 WeakPolarHBondContact O-CA 3.32Å; T450-H453 PolarHBondContact O-N 3.36Å; T450-H453 PolarHBondContact OG1-N 3.47Å; T450-H454 HydrophobicContact CG2-CB 4.3Å; T450-H454 PolarHBondContact N-O 3.2Å; T450-H454 VanDerWaalsContact N-O 3.08Å; T450-H454 WeakPolarHBondContact OG1-CB 3.48Å; T450-H454 PolarHBondContact OG1-N 3.28Å; T450-V456 HydrophobicContact CG2-CB 4.41Å; T450-V456 HydrophobicContact CG2-CG1 3.53Å; T450-V456 HydrophobicContact CG2-CG2 3.97Å; T450-L484 WeakPolarHBondContact CB-O 3.38Å; T450-Y486 HydrophobicContact CG2-CD2 4.29Å; T450-L489 HydrophobicContact CG2-CD1 3.44Å; T450-L489 VanDerWaalsContact CG2-CD1 3.44Å; T450-F559 WeakPolarHBondContact O-CZ 3.36Å | ||
| 451 | K | 97.4 | Very high | 97.4 | Very high | 107 Ų | 107 | 20.6 Ų | 20.6 | 47% | 0.465 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -37.9 | 175.8 | -177.2 | 175.7 | 176.3 | 178.3 | 0 | 114 | H453 K482 D483 L484 | K451-H453 PolarHBondContact O-NE2 2.83Å; K451-K482 WeakPolarHBondContact CA-O 3.34Å; K451-K482 VanDerWaalsContact CB-O 3.28Å; K451-K482 WeakPolarHBondContact CB-O 3.35Å; K451-K482 PolarHBondContact N-O 3.4Å; K451-D483 WeakPolarHBondContact CD-O 3.37Å; K451-L484 VanDerWaalsContact CB-C 3.41Å; K451-L484 VanDerWaalsContact CB-O 3.25Å; K451-L484 WeakPolarHBondContact CB-O 3.21Å; K451-L484 PolarHBondContact N-O 2.62Å |
| 452 | D | 98 | Very high | 97.2 | Very high | 54 Ų | 54 | 22.7 Ų | 22.7 | 29% | 0.289 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 14.6 | 175.7 | 59.1 | -8.5 | 0 | 0 | 0 | 112.9 | T450 H454 N485 Y486 | T450-D452 VanDerWaalsContact C-N 3.29Å; T450-D452 WeakPolarHBondContact CB-OD1 3.32Å; T450-D452 PolarHBondContact O-N 2.95Å; T450-D452 PolarHBondContact OG1-OD1 3.32Å; D452-H454 PolarHBondContact O-N 2.88Å; D452-H454 IonicContact OD1-CE1 2.8Å; D452-H454 IonicContact OD1-ND1 3.2Å; D452-H454 PolarHBondContact OD1-ND1 2.93Å; D452-H454 IonicContact OD2-CE1 3.06Å; D452-H454 PolarHBondContact OD2-CE1 3.06Å; D452-H454 IonicContact OD2-ND1 3.67Å; D452-H454 PolarHBondContact OD2-ND1 3.21Å; D452-N485 HydrophobicContact CB-CB 4.4Å; D452-Y486 PolarHBondContact OD1-N 3.03Å; D452-Y486 PolarHBondContact OD2-N 3.24Å |
| 453 | H | 97.7 | Very high | 96.7 | Very high | 80 Ų | 80 | 22.3 Ų | 22.3 | 37% | 0.37 | 11% | 0.106 | S | C | . | . | trans | 67.2 | 26.9 | 169.4 | -40.5 | 127 | 0 | 0 | 0 | 115.9 | T450 K451 F559 F563 T567 | T450-H453 WeakPolarHBondContact O-CA 3.32Å; T450-H453 PolarHBondContact O-N 3.36Å; T450-H453 PolarHBondContact OG1-N 3.47Å; K451-H453 PolarHBondContact O-NE2 2.83Å; H453-F559 AromaticContact CD2-CE1 3.68Å; H453-F559 AromaticContact NE2-CE1 3.87Å; H453-F563 HydrophobicContact CB-CZ 4.24Å; H453-F563 AromaticContact CD2-CE1 3.43Å; H453-F563 VanDerWaalsContact CD2-CE1 3.43Å; H453-F563 WeakPolarHBondContact CD2-CE1 3.08Å; H453-F563 AromaticContact CD2-CZ 3.44Å; H453-F563 VanDerWaalsContact CD2-CZ 3.44Å; H453-F563 WeakPolarHBondContact CD2-CZ 3.3Å; H453-F563 AromaticContact CE1-CZ 3.56Å; H453-F563 AromaticContact CG-CE1 3.95Å; H453-F563 AromaticContact CG-CZ 3.53Å; H453-F563 AromaticContact ND1-CZ 3.62Å; H453-F563 AromaticContact NE2-CE1 3.56Å; H453-F563 AromaticContact NE2-CZ 3.43Å; H453-F563 WeakPolarHBondContact NE2-CZ 3.38Å; H453-T567 HydrophobicContact CB-CG2 4.43Å | ||
| 454 | H | 98.2 | Very high | 96.2 | Very high | 71 Ų | 71 | 22.3 Ų | 22.3 | 33% | 0.329 | 11% | 0.106 | S | C | . | . | trans | -74.4 | 137.8 | 166.2 | -65.5 | 89.2 | 0 | 0 | 0 | 109.7 | L449 T450 D452 V456 Y486 L524 | L449-H454 WeakPolarHBondContact CA-O 3.4Å; T450-H454 HydrophobicContact CG2-CB 4.3Å; T450-H454 PolarHBondContact N-O 3.2Å; T450-H454 VanDerWaalsContact N-O 3.08Å; T450-H454 WeakPolarHBondContact OG1-CB 3.48Å; T450-H454 PolarHBondContact OG1-N 3.28Å; D452-H454 PolarHBondContact O-N 2.88Å; D452-H454 IonicContact OD1-CE1 2.8Å; D452-H454 IonicContact OD1-ND1 3.2Å; D452-H454 PolarHBondContact OD1-ND1 2.93Å; D452-H454 IonicContact OD2-CE1 3.06Å; D452-H454 PolarHBondContact OD2-CE1 3.06Å; D452-H454 IonicContact OD2-ND1 3.67Å; D452-H454 PolarHBondContact OD2-ND1 3.21Å; H454-V456 PolarHBondContact O-N 2.96Å; H454-Y486 HydrophobicContact CB-CG 4.38Å; H454-L524 HydrophobicContact CB-CD2 3.72Å | ||
| 455 | V | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 109.2 | 174.6 | -172 | 0 | 0 | 0 | 0 | 108.9 | V447 Q448 L449 L524 L525 I568 E571 | V447-V455 HydrophobicContact CB-CG1 3.93Å; V447-V455 HydrophobicContact CG1-CG1 4.4Å; Q448-V455 WeakPolarHBondContact O-CA 3.46Å; L449-V455 HydrophobicContact CD2-CB 4.26Å; L449-V455 HydrophobicContact CD2-CG2 3.54Å; V455-L524 WeakPolarHBondContact O-CA 3.44Å; V455-L525 HydrophobicContact CB-CB 4.08Å; V455-L525 HydrophobicContact CB-CD2 4.48Å; V455-L525 HydrophobicContact CG1-CB 3.77Å; V455-L525 HydrophobicContact CG1-CD2 3.69Å; V455-L525 HydrophobicContact CG1-CG 4.38Å; V455-L525 PolarHBondContact O-N 3Å; V455-I568 HydrophobicContact CG1-CG1 4.22Å; V455-I568 HydrophobicContact CG2-CG1 4.04Å; V455-E571 VanDerWaalsContact CB-OE2 3.28Å; V455-E571 WeakPolarHBondContact CB-OE2 3.4Å; V455-E571 HydrophobicContact CG2-CB 4.05Å; V455-E571 HydrophobicContact CG2-CG 4.38Å; V455-E571 WeakPolarHBondContact CG2-OE2 3.43Å |
| 456 | V | 98 | Very high | 94.8 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 149 | 179.7 | -67.5 | 0 | 0 | 0 | 0 | 111 | V447 Q448 T450 H454 T481 Y486 F522 P523 L524 | V447-V456 WeakPolarHBondContact CA-O 3.4Å; Q448-V456 HydrophobicContact CG-CG2 4.01Å; Q448-V456 PolarHBondContact N-O 3.46Å; Q448-V456 WeakPolarHBondContact O-CG2 3.49Å; Q448-V456 PolarHBondContact O-N 3.24Å; T450-V456 HydrophobicContact CG2-CB 4.41Å; T450-V456 HydrophobicContact CG2-CG1 3.53Å; T450-V456 HydrophobicContact CG2-CG2 3.97Å; H454-V456 PolarHBondContact O-N 2.96Å; V456-T481 HydrophobicContact CG2-CG2 3.92Å; V456-Y486 HydrophobicContact CG1-CD2 3.57Å; V456-Y486 HydrophobicContact CG1-CE2 3.71Å; V456-F522 HydrophobicContact CB-CB 4.34Å; V456-F522 HydrophobicContact CG1-CB 4.39Å; V456-F522 HydrophobicContact CG2-CD1 4.42Å; V456-P523 WeakPolarHBondContact CA-O 3.38Å; V456-L524 HydrophobicContact CG1-CD2 4.19Å |
| 457 | V | 98 | Very high | 94.1 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 105.9 | 173.8 | -167.8 | 0 | 0 | 0 | 0 | 109.8 | N427 F432 M445 D446 V447 P523 L525 | N427-V457 HydrophobicContact CB-CG1 3.91Å; N427-V457 WeakPolarHBondContact OD1-CG1 3.35Å; F432-V457 HydrophobicContact CE2-CG1 4.43Å; F432-V457 HydrophobicContact CZ-CG1 4.11Å; M445-V457 HydrophobicContact CB-CG1 3.74Å; M445-V457 HydrophobicContact CG-CG1 4.29Å; M445-V457 HydrophobicContact SD-CG1 4.46Å; M445-V457 HydrophobicContact SD-CG2 4.43Å; D446-V457 CarbonylContact O-C 3.41Å; D446-V457 WeakPolarHBondContact O-CA 3.28Å; D446-V457 WeakPolarHBondContact O-CG1 3.28Å; V447-V457 HydrophobicContact CG1-CG2 4.36Å; V457-P523 HydrophobicContact CB-CG 3.88Å; V457-P523 HydrophobicContact CG2-CG 4.19Å; V457-P523 PolarHBondContact N-O 2.98Å; V457-L525 HydrophobicContact CG2-CB 4.44Å; V457-L525 HydrophobicContact CG2-CD1 4.36Å |
| 458 | Y | 95.9 | Very high | 93.2 | Very high | 11 Ų | 11 | 33.8 Ų | 33.8 | 4% | 0.043 | 17% | 0.166 | C | C | . | . | trans | -165.9 | 140.7 | -179.2 | -173.3 | -111.1 | 0 | 0 | 0 | 111.4 | D446 Q448 D460 D462 F522 | D446-Y458 WeakPolarHBondContact CB-O 3.17Å; D446-Y458 PolarHBondContact O-N 2.58Å; Q448-Y458 PolarHBondContact NE2-O 3.04Å; Y458-D460 WeakPolarHBondContact CD1-O 3.37Å; Y458-D460 HydrophobicContact CE1-CB 3.7Å; Y458-D460 WeakPolarHBondContact CE1-O 3.27Å; Y458-D462 PolarHBondContact OH-O 3.33Å; Y458-F522 HydrophobicContact CD1-CD1 4.15Å; Y458-F522 AromaticContact CD1-CE1 3.35Å; Y458-F522 HydrophobicContact CD1-CE1 3.35Å; Y458-F522 AromaticContact CD1-CZ 3.96Å; Y458-F522 HydrophobicContact CD1-CZ 3.96Å; Y458-F522 HydrophobicContact CD2-CD1 4.04Å; Y458-F522 AromaticContact CD2-CE1 3.57Å; Y458-F522 HydrophobicContact CD2-CE1 3.57Å; Y458-F522 HydrophobicContact CD2-CE2 4.34Å; Y458-F522 AromaticContact CD2-CZ 3.71Å; Y458-F522 HydrophobicContact CD2-CZ 3.71Å; Y458-F522 AromaticContact CE1-CE1 3.73Å; Y458-F522 HydrophobicContact CE1-CE1 3.73Å; Y458-F522 AromaticContact CE1-CZ 3.89Å; Y458-F522 HydrophobicContact CE1-CZ 3.89Å; Y458-F522 AromaticContact CE2-CE1 3.94Å; Y458-F522 HydrophobicContact CE2-CE1 3.94Å; Y458-F522 HydrophobicContact CE2-CE2 4.3Å; Y458-F522 AromaticContact CE2-CZ 3.64Å; Y458-F522 HydrophobicContact CE2-CZ 3.64Å; Y458-F522 AromaticContact CG-CD1 3.69Å; Y458-F522 HydrophobicContact CG-CD1 3.69Å; Y458-F522 AromaticContact CG-CE1 3.26Å; Y458-F522 HydrophobicContact CG-CE1 3.26Å; Y458-F522 AromaticContact CG-CZ 3.88Å; Y458-F522 HydrophobicContact CG-CZ 3.88Å; Y458-F522 AromaticContact CZ-CZ 3.74Å | ||
| 459 | H | 94.8 | Very high | 92.3 | Very high | 42 Ų | 42 | 38.9 Ų | 38.9 | 19% | 0.194 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -80.2 | -55.6 | -172.5 | 174.8 | -95.7 | 0 | 0 | 0 | 114.3 | R404 D446 K543 | R404-H459 VanDerWaalsContact NH1-CG 3.3Å; R404-H459 PolarHBondContact NH2-CD2 3.4Å; R404-H459 PolarHBondContact NH2-CE1 2.94Å; R404-H459 PolarHBondContact NH2-NE2 2.81Å; D446-H459 HydrophobicContact CB-CB 4.25Å; D446-H459 IonicContact OD1-CD2 3.4Å; D446-H459 PolarHBondContact OD1-CD2 3.2Å; D446-H459 VanDerWaalsContact OD1-CD2 3.28Å; D446-H459 WeakPolarHBondContact OD2-CB 3.38Å; D446-H459 IonicContact OD2-CD2 2.73Å; D446-H459 IonicContact OD2-CG 2.73Å; H459-K543 PolarHBondContact NE2-NZ 3Å; H459-K543 WeakPolarHBondContact O-CE 2.88Å |
| 460 | D | 93.1 | Very high | 91.3 | Very high | 29 Ų | 29 | 41.9 Ų | 41.9 | 16% | 0.155 | 21% | 0.206 | C | C | . | . | trans | -74.6 | 149.2 | -172.6 | -76.1 | 5 | 0 | 0 | 0 | 111.1 | Q448 Y458 D462 H496 S497 | Q448-D460 PolarHBondContact NE2-O 3.47Å; Y458-D460 WeakPolarHBondContact CD1-O 3.37Å; Y458-D460 HydrophobicContact CE1-CB 3.7Å; Y458-D460 WeakPolarHBondContact CE1-O 3.27Å; D460-D462 VanDerWaalsContact C-N 3.27Å; D460-D462 WeakPolarHBondContact CB-O 3.03Å; D460-D462 PolarHBondContact O-N 3.09Å; D460-H496 IonicContact OD1-NE2 3.97Å; D460-H496 IonicContact OD2-CD2 2.87Å; D460-H496 IonicContact OD2-CE1 2.9Å; D460-H496 IonicContact OD2-NE2 2.97Å; D460-H496 PolarHBondContact OD2-NE2 3.24Å; D460-S497 WeakPolarHBondContact OD2-CB 3.22Å; D460-S497 PolarHBondContact OD2-OG 3.06Å | ||
| 461 | F | 94.8 | Very high | 90.4 | Very high | 24 Ų | 24 | 48 Ų | 48 | 11% | 0.105 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -70.3 | -26.7 | 172.4 | -69.7 | -59.9 | 0 | 0 | 0 | 113.1 | A480 T481 K543 P545 E554 M555 F558 | F461-A480 WeakPolarHBondContact O-CA 3.48Å; F461-T481 PolarHBondContact O-N 3.15Å; F461-T481 PolarHBondContact O-OG1 3.17Å; F461-K543 HydrophobicContact CE1-CB 3.9Å; F461-K543 HydrophobicContact CZ-CB 4.24Å; F461-P545 HydrophobicContact CD1-CG 4.24Å; F461-P545 HydrophobicContact CE1-CG 3.74Å; F461-P545 HydrophobicContact CE2-CB 4.36Å; F461-P545 HydrophobicContact CE2-CG 4.25Å; F461-P545 HydrophobicContact CZ-CB 4.17Å; F461-P545 HydrophobicContact CZ-CG 3.76Å; F461-E554 HydrophobicContact CD2-CB 4.32Å; F461-E554 HydrophobicContact CE2-CB 4.06Å; F461-M555 HydrophobicContact CB-CE 3.71Å; F461-M555 HydrophobicContact CB-SD 4.01Å; F461-M555 HydrophobicContact CD1-CE 3.63Å; F461-M555 HydrophobicContact CG-CE 3.88Å; F461-F558 HydrophobicContact CD1-CE2 4.36Å; F461-F558 HydrophobicContact CE1-CZ 4.4Å |
| 462 | D | 92 | Very high | 89.4 | Confident | 44 Ų | 44 | 44.9 Ų | 44.9 | 24% | 0.235 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 145.9 | 179.9 | -64.2 | -40.7 | 0 | 0 | 0 | 111.7 | Y458 D460 R478 V479 A480 | Y458-D462 PolarHBondContact OH-O 3.33Å; D460-D462 VanDerWaalsContact C-N 3.27Å; D460-D462 WeakPolarHBondContact CB-O 3.03Å; D460-D462 PolarHBondContact O-N 3.09Å; D462-R478 HydrophobicContact CB-CB 4.43Å; D462-V479 WeakPolarHBondContact CA-O 3.45Å; D462-A480 VanDerWaalsContact OD1-CA 3.26Å; D462-A480 WeakPolarHBondContact OD1-CA 3.05Å; D462-A480 WeakPolarHBondContact OD1-CB 3.41Å; D462-A480 PolarHBondContact OD1-N 2.93Å |
| 463 | A | 88 | Confident | 88.2 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 169.7 | 158.1 | 0 | 0 | 0 | 0 | 0 | 110 | R478 V479 V494 F522 | A463-R478 CarbonylContact O-C 3.57Å; A463-R478 WeakPolarHBondContact O-CA 3.43Å; A463-V479 PolarHBondContact N-O 2.88Å; A463-V479 PolarHBondContact O-N 3.11Å; A463-V494 HydrophobicContact CB-CB 4.1Å; A463-V494 HydrophobicContact CB-CG1 4.1Å; A463-F522 HydrophobicContact CB-CZ 4.14Å |
| 464 | V | 87.1 | Confident | 87.4 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 128.5 | 178.2 | 177.2 | 0 | 0 | 0 | 0 | 110.2 | Y476 L477 R478 R495 V499 L500 | V464-Y476 HydrophobicContact CG1-CD1 3.65Å; V464-Y476 HydrophobicContact CG1-CG 3.93Å; V464-L477 WeakPolarHBondContact CA-O 3.48Å; V464-R478 HydrophobicContact CG2-CG 4.17Å; V464-R495 HydrophobicContact CB-CB 4.33Å; V464-R495 PolarHBondContact N-O 2.96Å; V464-R495 WeakPolarHBondContact O-CB 3.31Å; V464-R495 PolarHBondContact O-N 3.42Å; V464-V499 HydrophobicContact CB-CG2 4.01Å; V464-V499 HydrophobicContact CG1-CG2 3.67Å; V464-V499 HydrophobicContact CG2-CG2 4.44Å; V464-L500 HydrophobicContact CG1-CD2 3.99Å; V464-L500 HydrophobicContact CG1-CG 4.43Å; V464-L500 HydrophobicContact CG2-CD1 3.85Å; V464-L500 HydrophobicContact CG2-CD2 4.28Å; V464-L500 HydrophobicContact CG2-CG 3.95Å |
| 465 | V | 86 | Confident | 86.5 | Confident | 17 Ų | 17 | 43.3 Ų | 43.3 | 10% | 0.103 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 153.5 | 172.5 | -59.5 | 0 | 0 | 0 | 0 | 110.7 | S467 Y476 L477 V479 L492 V494 | V465-S467 PolarHBondContact O-N 3Å; V465-Y476 WeakPolarHBondContact O-CA 3.45Å; V465-L477 HydrophobicContact CG2-CB 4.03Å; V465-L477 HydrophobicContact CG2-CD2 4.46Å; V465-L477 PolarHBondContact N-O 2.84Å; V465-L477 PolarHBondContact O-N 3.35Å; V465-V479 HydrophobicContact CG1-CG2 4.34Å; V465-V479 HydrophobicContact CG2-CG2 3.71Å; V465-L492 HydrophobicContact CG1-CB 4.26Å; V465-L492 HydrophobicContact CG1-CD1 4.32Å; V465-V494 HydrophobicContact CG1-CG1 3.92Å |
| 466 | I | 81.8 | Confident | 85.9 | Confident | 36 Ų | 36 | 45.7 Ų | 45.7 | 19% | 0.185 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 116.5 | 170.9 | -61 | 170.1 | 0 | 0 | 0 | 107.8 | L474 Y476 E507 | I466-L474 HydrophobicContact CD1-CD1 4.14Å; I466-L474 HydrophobicContact CG2-CD2 4.07Å; I466-Y476 HydrophobicContact CG1-CD1 4.09Å; I466-Y476 HydrophobicContact CG1-CE1 3.83Å; I466-E507 HydrophobicContact CD1-CG 4.28Å |
| 467 | S | 83 | Confident | 85.4 | Confident | 65 Ų | 65 | 50.2 Ų | 50.2 | 46% | 0.455 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | -42 | -179.3 | 63.3 | 0 | 0 | 0 | 0 | 113 | V465 C475 | V465-S467 PolarHBondContact O-N 3Å; S467-C475 PolarHBondContact N-O 3.05Å; S467-C475 WeakPolarHBondContact OG-CB 3.4Å; S467-C475 PolarHBondContact OG-O 3.38Å |
| 468 | K | 81.1 | Confident | 85.1 | Confident | 130 Ų | 130 | 57.1 Ų | 57.1 | 57% | 0.565 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -166.7 | 167.6 | 179.3 | 59.9 | 177.5 | 178.3 | -179.2 | 0 | 110.9 | V470 C475 | K468-V470 HydrophobicContact CD-CG2 3.61Å; K468-V470 VanDerWaalsContact CE-CG2 3.48Å; K468-V470 HydrophobicContact CG-CG2 3.93Å; K468-C475 HydrophobicContact CG-CB 3.78Å; K468-C475 WeakPolarHBondContact O-CB 3.3Å; K468-C475 PolarHBondContact O-N 2.76Å |
| 469 | K | 79.2 | Confident | 84.9 | Confident | 106 Ų | 106 | 57.9 Ų | 57.9 | 46% | 0.461 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 122.8 | 168.2 | -170.5 | 170.1 | -174.9 | 165.3 | 0 | 109.7 | G472 Q473 L474 | K469-G472 WeakPolarHBondContact CE-O 3.49Å; K469-Q473 CarbonylContact C-O 3.51Å; K469-Q473 WeakPolarHBondContact CA-O 3.23Å; K469-L474 HydrophobicContact CB-CD2 4.27Å; K469-L474 HydrophobicContact CD-CD2 4.22Å; K469-L474 HydrophobicContact CG-CD2 4.19Å |
| 470 | V | 76.3 | Confident | 84.8 | Confident | 63 Ų | 63 | 56.2 Ų | 56.2 | 38% | 0.382 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 122.7 | 178.2 | -178.4 | 0 | 0 | 0 | 0 | 109.1 | K468 G472 Q473 | K468-V470 HydrophobicContact CD-CG2 3.61Å; K468-V470 VanDerWaalsContact CE-CG2 3.48Å; K468-V470 HydrophobicContact CG-CG2 3.93Å; V470-G472 PolarHBondContact O-N 2.98Å; V470-G472 VanDerWaalsContact O-N 3.11Å; V470-Q473 PolarHBondContact N-O 2.83Å; V470-Q473 PolarHBondContact O-N 2.9Å |
| 471 | S | 79.6 | Confident | 84.9 | Confident | 129 Ų | 129 | 54.9 Ų | 54.9 | 90% | 0.902 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 34.2 | 178.5 | -57.2 | 0 | 0 | 0 | 0 | 114.5 | Q473 | S471-Q473 VanDerWaalsContact C-N 3.31Å; S471-Q473 PolarHBondContact O-N 3.07Å |
| 472 | G | 75.3 | Confident | 85 | Confident | 41 Ų | 41 | 55.1 Ų | 55.1 | 42% | 0.423 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | -11.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | K469 V470 | K469-G472 WeakPolarHBondContact CE-O 3.49Å; V470-G472 PolarHBondContact O-N 2.98Å; V470-G472 VanDerWaalsContact O-N 3.11Å |
| 473 | Q | 74.2 | Confident | 85.1 | Confident | 121 Ų | 121 | 56.9 Ų | 56.9 | 57% | 0.565 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 136.7 | 179.4 | -165.5 | 169 | 10.6 | 0 | 0 | 111 | K469 V470 S471 | K469-Q473 CarbonylContact C-O 3.51Å; K469-Q473 WeakPolarHBondContact CA-O 3.23Å; V470-Q473 PolarHBondContact N-O 2.83Å; V470-Q473 PolarHBondContact O-N 2.9Å; S471-Q473 VanDerWaalsContact C-N 3.31Å; S471-Q473 PolarHBondContact O-N 3.07Å |
| 474 | L | 79.6 | Confident | 85.4 | Confident | 12 Ų | 12 | 57.8 Ų | 57.8 | 6% | 0.063 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 131 | 175.4 | -62.1 | 175.3 | 0 | 0 | 0 | 110 | I466 K469 Y476 H504 E507 | I466-L474 HydrophobicContact CD1-CD1 4.14Å; I466-L474 HydrophobicContact CG2-CD2 4.07Å; K469-L474 HydrophobicContact CB-CD2 4.27Å; K469-L474 HydrophobicContact CD-CD2 4.22Å; K469-L474 HydrophobicContact CG-CD2 4.19Å; L474-Y476 HydrophobicContact CB-CE1 4.42Å; L474-Y476 HydrophobicContact CB-CE2 4.24Å; L474-H504 HydrophobicContact CD1-CB 4.25Å; L474-E507 HydrophobicContact CD1-CG 3.92Å; L474-E507 HydrophobicContact CD2-CG 3.9Å; L474-E507 WeakPolarHBondContact CD2-OE1 3.39Å |
| 475 | C | 81 | Confident | 85.8 | Confident | 39 Ų | 39 | 60 Ų | 60 | 26% | 0.264 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 119.9 | 172.1 | -62.6 | 0 | 0 | 0 | 0 | 109.2 | S467 K468 | S467-C475 PolarHBondContact N-O 3.05Å; S467-C475 WeakPolarHBondContact OG-CB 3.4Å; S467-C475 PolarHBondContact OG-O 3.38Å; K468-C475 HydrophobicContact CG-CB 3.78Å; K468-C475 WeakPolarHBondContact O-CB 3.3Å; K468-C475 PolarHBondContact O-N 2.76Å |
| 476 | Y | 85.4 | Confident | 86.3 | Confident | 51 Ų | 51 | 60.6 Ų | 60.6 | 20% | 0.2 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 145.4 | -179.8 | -63 | -71.3 | 0 | 0 | 0 | 111.9 | V464 V465 I466 L474 V499 L500 H504 | V464-Y476 HydrophobicContact CG1-CD1 3.65Å; V464-Y476 HydrophobicContact CG1-CG 3.93Å; V465-Y476 WeakPolarHBondContact O-CA 3.45Å; I466-Y476 HydrophobicContact CG1-CD1 4.09Å; I466-Y476 HydrophobicContact CG1-CE1 3.83Å; L474-Y476 HydrophobicContact CB-CE1 4.42Å; L474-Y476 HydrophobicContact CB-CE2 4.24Å; Y476-V499 HydrophobicContact CD1-CG2 4Å; Y476-V499 HydrophobicContact CE1-CB 4.41Å; Y476-V499 HydrophobicContact CE1-CG2 3.96Å; Y476-V499 HydrophobicContact CG-CG2 4.44Å; Y476-L500 HydrophobicContact CD2-CD2 4.15Å; Y476-L500 HydrophobicContact CG-CD2 3.91Å; Y476-H504 VanDerWaalsContact OH-CB 3.32Å; Y476-H504 WeakPolarHBondContact OH-CB 3.36Å; Y476-H504 PolarHBondContact OH-CD2 3.12Å |
| 477 | L | 87.9 | Confident | 86.8 | Confident | 94 Ų | 94 | 63.9 Ų | 63.9 | 49% | 0.492 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 127.5 | 173.6 | 178.9 | 66.4 | 0 | 0 | 0 | 108.6 | V464 V465 V479 | V464-L477 WeakPolarHBondContact CA-O 3.48Å; V465-L477 HydrophobicContact CG2-CB 4.03Å; V465-L477 HydrophobicContact CG2-CD2 4.46Å; V465-L477 PolarHBondContact N-O 2.84Å; V465-L477 PolarHBondContact O-N 3.35Å; L477-V479 HydrophobicContact CD2-CG2 4.34Å; L477-V479 HydrophobicContact CG-CG2 4.25Å |
| 478 | R | 90.6 | Very high | 87.2 | Confident | 146 Ų | 146 | 64.2 Ų | 64.2 | 55% | 0.551 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 136.4 | 168.5 | -70.9 | -174.2 | -179.3 | -167.7 | -0.8 | 109.3 | D462 A463 V464 L500 | D462-R478 HydrophobicContact CB-CB 4.43Å; A463-R478 CarbonylContact O-C 3.57Å; A463-R478 WeakPolarHBondContact O-CA 3.43Å; V464-R478 HydrophobicContact CG2-CG 4.17Å; R478-L500 HydrophobicContact CG-CD1 3.81Å |
| 479 | V | 91.5 | Very high | 87.5 | Confident | 27 Ų | 27 | 58.1 Ų | 58.1 | 16% | 0.164 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 124.4 | 176.1 | -169.4 | 0 | 0 | 0 | 0 | 107.8 | D462 A463 V465 L477 L484 | D462-V479 WeakPolarHBondContact CA-O 3.45Å; A463-V479 PolarHBondContact N-O 2.88Å; A463-V479 PolarHBondContact O-N 3.11Å; V465-V479 HydrophobicContact CG1-CG2 4.34Å; V465-V479 HydrophobicContact CG2-CG2 3.71Å; L477-V479 HydrophobicContact CD2-CG2 4.34Å; L477-V479 HydrophobicContact CG-CG2 4.25Å; V479-L484 HydrophobicContact CB-CD1 4.14Å; V479-L484 HydrophobicContact CG1-CD1 3.51Å; V479-L484 HydrophobicContact CG1-CD2 3.89Å; V479-L484 HydrophobicContact CG1-CG 3.55Å |
| 480 | A | 94.2 | Very high | 87.8 | Confident | 7 Ų | 7 | 55.9 Ų | 55.9 | 6% | 0.058 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 139.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | F461 D462 K482 D483 M555 | F461-A480 WeakPolarHBondContact O-CA 3.48Å; D462-A480 VanDerWaalsContact OD1-CA 3.26Å; D462-A480 WeakPolarHBondContact OD1-CA 3.05Å; D462-A480 WeakPolarHBondContact OD1-CB 3.41Å; D462-A480 PolarHBondContact OD1-N 2.93Å; A480-K482 HydrophobicContact CB-CG 3.86Å; A480-K482 PolarHBondContact O-N 2.86Å; A480-D483 HydrophobicContact CB-CB 4.39Å; A480-D483 PolarHBondContact O-N 3Å; A480-M555 HydrophobicContact CB-SD 3.86Å |
| 481 | T | 94.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -56.2 | -37.5 | 177.2 | -55.7 | 0 | 0 | 0 | 0 | 111.3 | Q448 V456 F461 D483 L484 L489 F522 | Q448-T481 HydrophobicContact CG-CG2 4.13Å; V456-T481 HydrophobicContact CG2-CG2 3.92Å; F461-T481 PolarHBondContact O-N 3.15Å; F461-T481 PolarHBondContact O-OG1 3.17Å; T481-D483 PolarHBondContact O-N 2.65Å; T481-L484 PolarHBondContact O-N 2.73Å; T481-L489 HydrophobicContact CG2-CD1 3.91Å; T481-F522 HydrophobicContact CG2-CE1 4.49Å |
| 482 | K | 95.7 | Very high | 88.1 | Confident | 29 Ų | 29 | 58 Ų | 58 | 13% | 0.126 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -64.6 | -16.5 | 177 | 66 | 161.1 | -177.7 | 76.3 | 0 | 114.9 | K451 A480 M555 F558 F559 | K451-K482 WeakPolarHBondContact CA-O 3.34Å; K451-K482 VanDerWaalsContact CB-O 3.28Å; K451-K482 WeakPolarHBondContact CB-O 3.35Å; K451-K482 PolarHBondContact N-O 3.4Å; A480-K482 HydrophobicContact CB-CG 3.86Å; A480-K482 PolarHBondContact O-N 2.86Å; K482-M555 HydrophobicContact CD-CE 3.97Å; K482-M555 HydrophobicContact CD-SD 4.23Å; K482-M555 HydrophobicContact CG-CE 4.04Å; K482-M555 HydrophobicContact CG-SD 4.35Å; K482-F558 HydrophobicContact CB-CE2 4.4Å; K482-F558 HydrophobicContact CD-CD2 3.84Å; K482-F558 HydrophobicContact CD-CE2 4.31Å; K482-F559 HydrophobicContact CB-CD2 4.36Å; K482-F559 HydrophobicContact CB-CE2 3.46Å; K482-F559 VanDerWaalsContact CB-CE2 3.46Å; K482-F559 HydrophobicContact CB-CZ 3.82Å |
| 483 | D | 95.1 | Very high | 88.2 | Confident | 82 Ų | 82 | 57.5 Ų | 57.5 | 44% | 0.439 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -101.2 | -2.3 | -174.5 | -66.1 | -24.8 | 0 | 0 | 0 | 112.8 | K451 A480 T481 | K451-D483 WeakPolarHBondContact CD-O 3.37Å; A480-D483 HydrophobicContact CB-CB 4.39Å; A480-D483 PolarHBondContact O-N 3Å; T481-D483 PolarHBondContact O-N 2.65Å |
| 484 | L | 94.5 | Very high | 88.5 | Confident | 18 Ų | 18 | 52.2 Ų | 52.2 | 9% | 0.094 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -117.1 | 138.1 | 177.5 | -66.1 | 174.5 | 0 | 0 | 0 | 111.2 | T450 K451 V479 T481 E488 L489 L492 | T450-L484 WeakPolarHBondContact CB-O 3.38Å; K451-L484 VanDerWaalsContact CB-C 3.41Å; K451-L484 VanDerWaalsContact CB-O 3.25Å; K451-L484 WeakPolarHBondContact CB-O 3.21Å; K451-L484 PolarHBondContact N-O 2.62Å; V479-L484 HydrophobicContact CB-CD1 4.14Å; V479-L484 HydrophobicContact CG1-CD1 3.51Å; V479-L484 HydrophobicContact CG1-CD2 3.89Å; V479-L484 HydrophobicContact CG1-CG 3.55Å; T481-L484 PolarHBondContact O-N 2.73Å; L484-E488 WeakPolarHBondContact CA-OE2 3.4Å; L484-E488 HydrophobicContact CB-CB 4.36Å; L484-E488 HydrophobicContact CD2-CB 4.23Å; L484-L489 HydrophobicContact CB-CD1 4.36Å; L484-L489 HydrophobicContact CB-CD2 3.96Å; L484-L489 HydrophobicContact CB-CG 3.7Å; L484-L489 HydrophobicContact CD1-CD2 3.49Å; L484-L489 VanDerWaalsContact CD1-CD2 3.49Å; L484-L489 HydrophobicContact CD1-CG 4.07Å; L484-L489 HydrophobicContact CG-CD2 4.36Å; L484-L492 HydrophobicContact CD1-CD1 3.8Å; L484-L492 HydrophobicContact CD2-CD1 3.93Å |
| 485 | N | 96.1 | Very high | 88.5 | Confident | 48 Ų | 48 | 53.5 Ų | 53.5 | 26% | 0.257 | 26% | 0.257 | S | S | . | . | trans | -66.7 | 156.7 | 167.7 | -62.1 | -42.1 | 0 | 0 | 0 | 109.7 | D452 N487 E488 L489 | D452-N485 HydrophobicContact CB-CB 4.4Å; N485-N487 VanDerWaalsContact C-N 3.31Å; N485-N487 PolarHBondContact O-N 2.91Å; N485-E488 HydrophobicContact CB-CB 4.47Å; N485-E488 HydrophobicContact CB-CG 4.09Å; N485-E488 PolarHBondContact N-OE2 3.38Å; N485-E488 PolarHBondContact ND2-OE1 3.38Å; N485-E488 PolarHBondContact ND2-OE2 3.1Å; N485-E488 WeakPolarHBondContact O-CB 3.14Å; N485-E488 PolarHBondContact O-N 3.04Å; N485-L489 PolarHBondContact O-N 3.14Å | ||
| 486 | Y | 95.1 | Very high | 88.6 | Confident | 29 Ų | 29 | 52.4 Ų | 52.4 | 11% | 0.114 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.4 | -44.9 | -178.6 | -179.6 | -110.3 | 0 | 0 | 0 | 112.6 | T450 D452 H454 V456 E488 L489 R490 F522 L524 | T450-Y486 HydrophobicContact CG2-CD2 4.29Å; D452-Y486 PolarHBondContact OD1-N 3.03Å; D452-Y486 PolarHBondContact OD2-N 3.24Å; H454-Y486 HydrophobicContact CB-CG 4.38Å; V456-Y486 HydrophobicContact CG1-CD2 3.57Å; V456-Y486 HydrophobicContact CG1-CE2 3.71Å; Y486-E488 VanDerWaalsContact C-N 3.29Å; Y486-E488 PolarHBondContact O-N 3.25Å; Y486-L489 WeakPolarHBondContact O-CB 3.44Å; Y486-L489 PolarHBondContact O-N 3Å; Y486-R490 HydrophobicContact CD1-CG 4.35Å; Y486-R490 HydrophobicContact CD2-CG 4.47Å; Y486-R490 HydrophobicContact CE1-CG 3.88Å; Y486-R490 HydrophobicContact CE2-CG 4.02Å; Y486-R490 WeakPolarHBondContact O-CG 3.45Å; Y486-R490 PolarHBondContact O-N 3.3Å; Y486-R490 VanDerWaalsContact O-N 3.11Å; Y486-F522 WeakPolarHBondContact CE2-O 3.41Å; Y486-F522 PolarHBondContact OH-O 3.4Å; Y486-L524 HydrophobicContact CD1-CD1 4.42Å; Y486-L524 HydrophobicContact CD1-CD2 4.33Å; Y486-L524 HydrophobicContact CD2-CD2 3.83Å; Y486-L524 HydrophobicContact CE1-CD1 3.8Å; Y486-L524 HydrophobicContact CE1-CD2 4.14Å; Y486-L524 HydrophobicContact CE1-CG 4.02Å; Y486-L524 HydrophobicContact CE2-CD2 3.62Å; Y486-L524 HydrophobicContact CE2-CG 3.89Å; Y486-L524 HydrophobicContact CG-CD2 4.18Å |
| 487 | N | 92.1 | Very high | 88.4 | Confident | 105 Ų | 105 | 51.4 Ų | 51.4 | 56% | 0.561 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -62.8 | -36.6 | 177.8 | -67.9 | -15.1 | 0 | 0 | 0 | 112.2 | N485 R490 E491 | N485-N487 VanDerWaalsContact C-N 3.31Å; N485-N487 PolarHBondContact O-N 2.91Å; N487-R490 PolarHBondContact O-N 2.84Å; N487-E491 WeakPolarHBondContact O-CB 3.41Å; N487-E491 VanDerWaalsContact O-CG 3.31Å; N487-E491 WeakPolarHBondContact O-CG 3.39Å; N487-E491 PolarHBondContact O-N 2.82Å |
| 488 | E | 91.6 | Very high | 88 | Confident | 71 Ų | 71 | 47.8 Ų | 47.8 | 33% | 0.332 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.7 | -41.3 | 176.6 | -64.7 | 165 | 174.4 | 0 | 0 | 110.8 | L484 N485 Y486 R490 E491 L492 | L484-E488 WeakPolarHBondContact CA-OE2 3.4Å; L484-E488 HydrophobicContact CB-CB 4.36Å; L484-E488 HydrophobicContact CD2-CB 4.23Å; N485-E488 HydrophobicContact CB-CB 4.47Å; N485-E488 HydrophobicContact CB-CG 4.09Å; N485-E488 PolarHBondContact N-OE2 3.38Å; N485-E488 PolarHBondContact ND2-OE1 3.38Å; N485-E488 PolarHBondContact ND2-OE2 3.1Å; N485-E488 WeakPolarHBondContact O-CB 3.14Å; N485-E488 PolarHBondContact O-N 3.04Å; Y486-E488 VanDerWaalsContact C-N 3.29Å; Y486-E488 PolarHBondContact O-N 3.25Å; E488-R490 PolarHBondContact O-N 3.12Å; E488-E491 PolarHBondContact O-N 3.17Å; E488-L492 VanDerWaalsContact O-CB 3.31Å; E488-L492 WeakPolarHBondContact O-CB 3.47Å; E488-L492 WeakPolarHBondContact O-CD1 3.2Å; E488-L492 WeakPolarHBondContact O-CG 3.03Å; E488-L492 PolarHBondContact O-N 2.84Å |
| 489 | L | 88.5 | Confident | 87.4 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.5 | -34.2 | 174.2 | -75.7 | 164.4 | 0 | 0 | 0 | 112.7 | T450 T481 L484 N485 Y486 F522 | T450-L489 HydrophobicContact CG2-CD1 3.44Å; T450-L489 VanDerWaalsContact CG2-CD1 3.44Å; T481-L489 HydrophobicContact CG2-CD1 3.91Å; L484-L489 HydrophobicContact CB-CD1 4.36Å; L484-L489 HydrophobicContact CB-CD2 3.96Å; L484-L489 HydrophobicContact CB-CG 3.7Å; L484-L489 HydrophobicContact CD1-CD2 3.49Å; L484-L489 VanDerWaalsContact CD1-CD2 3.49Å; L484-L489 HydrophobicContact CD1-CG 4.07Å; L484-L489 HydrophobicContact CG-CD2 4.36Å; N485-L489 PolarHBondContact O-N 3.14Å; Y486-L489 WeakPolarHBondContact O-CB 3.44Å; Y486-L489 PolarHBondContact O-N 3Å; L489-F522 HydrophobicContact CD2-CE1 4.28Å; L489-F522 HydrophobicContact CD2-CZ 4.42Å |
| 490 | R | 84.6 | Confident | 86.7 | Confident | 60 Ų | 60 | 43.2 Ų | 43.2 | 23% | 0.226 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -81.2 | -29.7 | 179.8 | -63.2 | -61.5 | -68.1 | -149.8 | -12.1 | 113.3 | Y486 N487 E488 P521 F522 | Y486-R490 HydrophobicContact CD1-CG 4.35Å; Y486-R490 HydrophobicContact CD2-CG 4.47Å; Y486-R490 HydrophobicContact CE1-CG 3.88Å; Y486-R490 HydrophobicContact CE2-CG 4.02Å; Y486-R490 WeakPolarHBondContact O-CG 3.45Å; Y486-R490 PolarHBondContact O-N 3.3Å; Y486-R490 VanDerWaalsContact O-N 3.11Å; N487-R490 PolarHBondContact O-N 2.84Å; E488-R490 PolarHBondContact O-N 3.12Å; R490-P521 PolarHBondContact NH1-O 3.45Å; R490-F522 PolarHBondContact NH1-O 3.34Å |
| 491 | E | 82.7 | Confident | 85.8 | Confident | 165 Ų | 165 | 49.4 Ų | 49.4 | 77% | 0.771 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -86.4 | -26.8 | 179.9 | -72.6 | 177.2 | -174.1 | 0 | 0 | 113.1 | N487 E488 | N487-E491 WeakPolarHBondContact O-CB 3.41Å; N487-E491 VanDerWaalsContact O-CG 3.31Å; N487-E491 WeakPolarHBondContact O-CG 3.39Å; N487-E491 PolarHBondContact O-N 2.82Å; E488-E491 PolarHBondContact O-N 3.17Å |
| 492 | L | 80.7 | Confident | 84.5 | Confident | 72 Ų | 72 | 52.3 Ų | 52.3 | 38% | 0.377 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -76.7 | 137.5 | 176 | -69.9 | 169.1 | 0 | 0 | 0 | 110.4 | V465 L484 E488 V494 | V465-L492 HydrophobicContact CG1-CB 4.26Å; V465-L492 HydrophobicContact CG1-CD1 4.32Å; L484-L492 HydrophobicContact CD1-CD1 3.8Å; L484-L492 HydrophobicContact CD2-CD1 3.93Å; E488-L492 VanDerWaalsContact O-CB 3.31Å; E488-L492 WeakPolarHBondContact O-CB 3.47Å; E488-L492 WeakPolarHBondContact O-CD1 3.2Å; E488-L492 WeakPolarHBondContact O-CG 3.03Å; E488-L492 PolarHBondContact O-N 2.84Å; L492-V494 HydrophobicContact CB-CG1 3.83Å; L492-V494 PolarHBondContact O-N 3.1Å |
| 493 | N | 77.1 | Confident | 82.8 | Confident | 29 Ų | 29 | 56 Ų | 56 | 16% | 0.155 | 29% | 0.286 | C | S | . | . | trans | -73.1 | 77 | 168.8 | -166.9 | -48.7 | 0 | 0 | 0 | 109.4 | R495 D513 | N493-R495 PolarHBondContact OD1-NE 3.36Å; N493-D513 PolarHBondContact ND2-OD1 3.34Å; N493-D513 VanDerWaalsContact ND2-OD1 3.11Å | ||
| 494 | V | 80.5 | Confident | 81.3 | Confident | 11 Ų | 11 | 54.4 Ų | 54.4 | 7% | 0.067 | 28% | 0.275 | C | S | . | . | trans | -80.6 | 124.7 | -177.6 | -73.8 | 0 | 0 | 0 | 0 | 110.9 | A463 V465 L492 P521 F522 | A463-V494 HydrophobicContact CB-CB 4.1Å; A463-V494 HydrophobicContact CB-CG1 4.1Å; V465-V494 HydrophobicContact CG1-CG1 3.92Å; L492-V494 HydrophobicContact CB-CG1 3.83Å; L492-V494 PolarHBondContact O-N 3.1Å; V494-P521 HydrophobicContact CG2-CG 4.47Å; V494-F522 HydrophobicContact CB-CE2 4.3Å; V494-F522 HydrophobicContact CG2-CD2 4.2Å; V494-F522 HydrophobicContact CG2-CE2 3.5Å; V494-F522 VanDerWaalsContact CG2-CE2 3.5Å; V494-F522 HydrophobicContact CG2-CZ 4.34Å | ||
| 495 | R | 79.3 | Confident | 79.5 | Confident | 38 Ų | 38 | 58.1 Ų | 58.1 | 14% | 0.143 | 30% | 0.299 | C | S | . | . | B | Isolated β-bridge | trans | -104.2 | 152.9 | 176.3 | -60.1 | -71.5 | 179.5 | 132.2 | -10.8 | 109.8 | V464 N493 V499 K508 E512 | V464-R495 HydrophobicContact CB-CB 4.33Å; V464-R495 PolarHBondContact N-O 2.96Å; V464-R495 WeakPolarHBondContact O-CB 3.31Å; V464-R495 PolarHBondContact O-N 3.42Å; N493-R495 PolarHBondContact OD1-NE 3.36Å; R495-V499 HydrophobicContact CB-CG1 3.85Å; R495-V499 HydrophobicContact CB-CG2 3.91Å; R495-V499 HydrophobicContact CG-CG1 4.32Å; R495-K508 PolarHBondContact NH2-O 2.61Å; R495-E512 IonicContact CZ-OE2 3.8Å; R495-E512 IonicContact NE-OE2 3.41Å |
| 496 | H | 82 | Confident | 77.7 | Confident | 17 Ų | 17 | 63.1 Ų | 63.1 | 8% | 0.079 | 32% | 0.32 | C | S | . | . | trans | -68.1 | 151.6 | 169.5 | -177.6 | -94.1 | 0 | 0 | 0 | 111.1 | F410 D460 S498 V499 | F410-H496 WeakPolarHBondContact CB-CE1 3.47Å; F410-H496 VanDerWaalsContact CB-ND1 3.3Å; F410-H496 WeakPolarHBondContact CB-ND1 3.13Å; F410-H496 HydrophobicContact CD1-CB 3.64Å; F410-H496 AromaticContact CD1-CG 3.77Å; F410-H496 AromaticContact CD1-ND1 3.87Å; F410-H496 HydrophobicContact CD2-CB 3.8Å; F410-H496 AromaticContact CD2-CD2 3.29Å; F410-H496 WeakPolarHBondContact CD2-CD2 3.36Å; F410-H496 AromaticContact CD2-CE1 3.91Å; F410-H496 AromaticContact CD2-CG 3.33Å; F410-H496 AromaticContact CD2-ND1 3.71Å; F410-H496 AromaticContact CD2-NE2 3.65Å; F410-H496 HydrophobicContact CE1-CB 3.55Å; F410-H496 HydrophobicContact CE2-CB 3.72Å; F410-H496 AromaticContact CE2-CD2 3.68Å; F410-H496 AromaticContact CE2-CG 3.71Å; F410-H496 HydrophobicContact CG-CB 3.76Å; F410-H496 AromaticContact CG-CD2 3.79Å; F410-H496 AromaticContact CG-CE1 3.77Å; F410-H496 AromaticContact CG-CG 3.36Å; F410-H496 AromaticContact CG-ND1 3.34Å; F410-H496 VanDerWaalsContact CG-ND1 3.34Å; F410-H496 WeakPolarHBondContact CG-ND1 3.18Å; F410-H496 AromaticContact CG-NE2 4Å; F410-H496 HydrophobicContact CZ-CB 3.59Å; D460-H496 IonicContact OD1-NE2 3.97Å; D460-H496 IonicContact OD2-CD2 2.87Å; D460-H496 IonicContact OD2-CE1 2.9Å; D460-H496 IonicContact OD2-NE2 2.97Å; D460-H496 PolarHBondContact OD2-NE2 3.24Å; H496-S498 WeakPolarHBondContact ND1-CB 3.11Å; H496-S498 PolarHBondContact ND1-N 2.98Å; H496-S498 VanDerWaalsContact ND1-N 3.14Å; H496-S498 PolarHBondContact ND1-OG 2.77Å; H496-S498 PolarHBondContact O-N 2.93Å; H496-V499 WeakPolarHBondContact O-CG2 3.32Å; H496-V499 PolarHBondContact O-N 3.36Å | ||
| 497 | S | 82.1 | Confident | 75.9 | Confident | 29 Ų | 29 | 65.3 Ų | 65.3 | 20% | 0.203 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -56.1 | -21.7 | -176.6 | 65.5 | 0 | 0 | 0 | 0 | 114.7 | D460 V499 L500 | D460-S497 WeakPolarHBondContact OD2-CB 3.22Å; D460-S497 PolarHBondContact OD2-OG 3.06Å; S497-V499 PolarHBondContact O-N 3.39Å; S497-L500 WeakPolarHBondContact O-CB 3.26Å; S497-L500 WeakPolarHBondContact O-CG 3.39Å; S497-L500 PolarHBondContact O-N 3.15Å; S497-L500 VanDerWaalsContact O-N 3.16Å |
| 498 | S | 79 | Confident | 74.1 | Confident | 18 Ų | 18 | 66.7 Ų | 66.7 | 13% | 0.126 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -57.7 | -27.5 | 176.5 | 54.8 | 0 | 0 | 0 | 0 | 114.2 | H496 L500 K501 | H496-S498 WeakPolarHBondContact ND1-CB 3.11Å; H496-S498 PolarHBondContact ND1-N 2.98Å; H496-S498 VanDerWaalsContact ND1-N 3.14Å; H496-S498 PolarHBondContact ND1-OG 2.77Å; H496-S498 PolarHBondContact O-N 2.93Å; S498-L500 PolarHBondContact O-N 2.86Å; S498-L500 VanDerWaalsContact O-N 3.13Å; S498-K501 PolarHBondContact O-N 3.38Å; S498-K501 VanDerWaalsContact O-N 3.11Å |
| 499 | V | 77.8 | Confident | 72.2 | Confident | 13 Ų | 13 | 66.5 Ų | 66.5 | 8% | 0.079 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -62.9 | -20.6 | 178.1 | -58.2 | 0 | 0 | 0 | 0 | 113.2 | V464 Y476 R495 H496 S497 K501 E502 | V464-V499 HydrophobicContact CB-CG2 4.01Å; V464-V499 HydrophobicContact CG1-CG2 3.67Å; V464-V499 HydrophobicContact CG2-CG2 4.44Å; Y476-V499 HydrophobicContact CD1-CG2 4Å; Y476-V499 HydrophobicContact CE1-CB 4.41Å; Y476-V499 HydrophobicContact CE1-CG2 3.96Å; Y476-V499 HydrophobicContact CG-CG2 4.44Å; R495-V499 HydrophobicContact CB-CG1 3.85Å; R495-V499 HydrophobicContact CB-CG2 3.91Å; R495-V499 HydrophobicContact CG-CG1 4.32Å; H496-V499 WeakPolarHBondContact O-CG2 3.32Å; H496-V499 PolarHBondContact O-N 3.36Å; S497-V499 PolarHBondContact O-N 3.39Å; V499-K501 PolarHBondContact O-N 3.14Å; V499-E502 PolarHBondContact O-N 2.86Å; V499-E502 VanDerWaalsContact O-O 3.04Å |
| 500 | L | 78.2 | Confident | 70.4 | Confident | 65 Ų | 65 | 72.6 Ų | 72.6 | 34% | 0.34 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -70.1 | -17.1 | 178.3 | -61.7 | 174.6 | 0 | 0 | 0 | 113.1 | V464 Y476 R478 S497 S498 | V464-L500 HydrophobicContact CG1-CD2 3.99Å; V464-L500 HydrophobicContact CG1-CG 4.43Å; V464-L500 HydrophobicContact CG2-CD1 3.85Å; V464-L500 HydrophobicContact CG2-CD2 4.28Å; V464-L500 HydrophobicContact CG2-CG 3.95Å; Y476-L500 HydrophobicContact CD2-CD2 4.15Å; Y476-L500 HydrophobicContact CG-CD2 3.91Å; R478-L500 HydrophobicContact CG-CD1 3.81Å; S497-L500 WeakPolarHBondContact O-CB 3.26Å; S497-L500 WeakPolarHBondContact O-CG 3.39Å; S497-L500 PolarHBondContact O-N 3.15Å; S497-L500 VanDerWaalsContact O-N 3.16Å; S498-L500 PolarHBondContact O-N 2.86Å; S498-L500 VanDerWaalsContact O-N 3.13Å |
| 501 | K | 73.9 | Confident | 69 | Low | 137 Ų | 137 | 75.6 Ų | 75.6 | 60% | 0.596 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -98.2 | -10.6 | -179.1 | -61.5 | -179.4 | -177.5 | -175.5 | 0 | 112.7 | S498 V499 | S498-K501 PolarHBondContact O-N 3.38Å; S498-K501 VanDerWaalsContact O-N 3.11Å; V499-K501 PolarHBondContact O-N 3.14Å |
| 502 | E | 68.5 | Low | 67.6 | Low | 60 Ų | 60 | 71.2 Ų | 71.2 | 28% | 0.28 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -112 | 131.8 | 178.6 | -67.4 | -175.7 | -173.6 | 0 | 0 | 110.5 | P413 K416 V499 H504 | P413-E502 HydrophobicContact CG-CG 4.13Å; K416-E502 IonicContact NZ-OE1 2.73Å; K416-E502 PolarHBondContact NZ-OE1 2.89Å; K416-E502 IonicContact NZ-OE2 2.87Å; V499-E502 PolarHBondContact O-N 2.86Å; V499-E502 VanDerWaalsContact O-O 3.04Å; E502-H504 WeakPolarHBondContact CB-CE1 3.12Å; E502-H504 PolarHBondContact O-N 3.06Å; E502-H504 IonicContact OE2-CE1 2.83Å; E502-H504 PolarHBondContact OE2-CE1 3.02Å |
| 503 | S | 58.6 | Low | 66.4 | Low | 108 Ų | 108 | 72.6 Ų | 72.6 | 76% | 0.755 | 37% | 0.369 | S | S | * | . | trans | -77.7 | 111.9 | 174.7 | -62.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 504 | H | 64.5 | Low | 65.7 | Low | 47 Ų | 47 | 78.2 Ų | 78.2 | 22% | 0.218 | 40% | 0.399 | C | S | . | . | trans | -105.1 | 129.4 | 176.4 | -56.3 | -16.2 | 0 | 0 | 0 | 111 | L474 Y476 E502 | L474-H504 HydrophobicContact CD1-CB 4.25Å; Y476-H504 VanDerWaalsContact OH-CB 3.32Å; Y476-H504 WeakPolarHBondContact OH-CB 3.36Å; Y476-H504 PolarHBondContact OH-CD2 3.12Å; E502-H504 WeakPolarHBondContact CB-CE1 3.12Å; E502-H504 PolarHBondContact O-N 3.06Å; E502-H504 IonicContact OE2-CE1 2.83Å; E502-H504 PolarHBondContact OE2-CE1 3.02Å | ||
| 505 | T | 56.1 | Low | 65.3 | Low | 96 Ų | 96 | 80.4 Ų | 80.4 | 59% | 0.589 | 41% | 0.41 | S | S | * | . | trans | -100.7 | -23.2 | 178.2 | 52.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 506 | H | 59.4 | Low | 65.5 | Low | 153 Ų | 153 | 81.7 Ų | 81.7 | 71% | 0.708 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -129.1 | 135.9 | -177.3 | -77.5 | -81.8 | 0 | 0 | 0 | 111.6 | ||
| 507 | E | 56 | Low | 65.4 | Low | 75 Ų | 75 | 85 Ų | 85 | 35% | 0.35 | 44% | 0.444 | S | S | . | . | trans | -75 | 123.9 | 168.7 | -69.5 | 161.1 | 168.6 | 0 | 0 | 108.7 | I466 L474 M509 | I466-E507 HydrophobicContact CD1-CG 4.28Å; L474-E507 HydrophobicContact CD1-CG 3.92Å; L474-E507 HydrophobicContact CD2-CG 3.9Å; L474-E507 WeakPolarHBondContact CD2-OE1 3.39Å; E507-M509 HydrophobicContact CB-CB 3.69Å; E507-M509 HydrophobicContact CB-CG 3.69Å; E507-M509 HydrophobicContact CB-SD 4.15Å; E507-M509 HydrophobicContact CG-CB 4.39Å; E507-M509 HydrophobicContact CG-CG 3.85Å; E507-M509 HydrophobicContact CG-SD 3.86Å; E507-M509 PolarHBondContact O-N 3.02Å; E507-M509 VanDerWaalsContact OE1-SD 3.39Å | ||
| 508 | K | 55.1 | Low | 65.4 | Low | 134 Ų | 134 | 86.8 Ų | 86.8 | 58% | 0.583 | 45% | 0.45 | S | S | * | . | trans | -84.3 | 61.3 | 147.8 | -75.4 | -173.7 | 159.4 | -137.3 | 0 | 107.9 | R495 N510 E511 | R495-K508 PolarHBondContact NH2-O 2.61Å; K508-N510 VanDerWaalsContact C-N 3.26Å; K508-N510 PolarHBondContact O-N 3.47Å; K508-E511 IonicContact NZ-OE2 2.79Å; K508-E511 PolarHBondContact NZ-OE2 2.81Å | ||
| 509 | M | 52.4 | Low | 65.6 | Low | 67 Ų | 67 | 88.5 Ų | 88.5 | 33% | 0.33 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -16.3 | -170.8 | -113.3 | -179 | 151.5 | 0 | 0 | 113.6 | E507 | E507-M509 HydrophobicContact CB-CB 3.69Å; E507-M509 HydrophobicContact CB-CG 3.69Å; E507-M509 HydrophobicContact CB-SD 4.15Å; E507-M509 HydrophobicContact CG-CB 4.39Å; E507-M509 HydrophobicContact CG-CG 3.85Å; E507-M509 HydrophobicContact CG-SD 3.86Å; E507-M509 PolarHBondContact O-N 3.02Å; E507-M509 VanDerWaalsContact OE1-SD 3.39Å |
| 510 | N | 50.1 | Low | 66 | Low | 131 Ų | 131 | 90.1 Ų | 90.1 | 70% | 0.701 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.9 | -1.4 | -167.7 | -62 | -0.3 | 0 | 0 | 0 | 114.7 | K508 | K508-N510 VanDerWaalsContact C-N 3.26Å; K508-N510 PolarHBondContact O-N 3.47Å |
| 511 | E | 54.1 | Low | 66.4 | Low | 123 Ų | 123 | 88 Ų | 88 | 58% | 0.575 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -39.5 | -176.7 | -69.9 | -176.2 | 165.6 | 0 | 0 | 112.3 | K508 | K508-E511 IonicContact NZ-OE2 2.79Å; K508-E511 PolarHBondContact NZ-OE2 2.81Å |
| 512 | E | 55 | Low | 67.4 | Low | 73 Ų | 73 | 81.6 Ų | 81.6 | 34% | 0.341 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -81 | -27.2 | -175.1 | -67.3 | 172.4 | -166.6 | 0 | 0 | 113.3 | R495 L514 D515 | R495-E512 IonicContact CZ-OE2 3.8Å; R495-E512 IonicContact NE-OE2 3.41Å; E512-L514 PolarHBondContact O-N 3.1Å; E512-D515 WeakPolarHBondContact O-CB 3.46Å; E512-D515 PolarHBondContact O-N 3.32Å |
| 513 | D | 55.2 | Low | 68.7 | Low | 101 Ų | 101 | 79 Ų | 79 | 54% | 0.54 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -67.9 | -4.2 | -179.2 | -66.5 | -5.8 | 0 | 0 | 0 | 113.3 | N493 | N493-D513 PolarHBondContact ND2-OD1 3.34Å; N493-D513 VanDerWaalsContact ND2-OD1 3.11Å |
| 514 | L | 63 | Low | 70.5 | Confident | 147 Ų | 147 | 74.9 Ų | 74.9 | 77% | 0.77 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -110.2 | 1.4 | 178 | -64.7 | 173.6 | 0 | 0 | 0 | 113.1 | E512 | E512-L514 PolarHBondContact O-N 3.1Š|
| 515 | D | 72.2 | Confident | 72.1 | Confident | 57 Ų | 57 | 72.6 Ų | 72.6 | 31% | 0.305 | 37% | 0.373 | S | S | . | . | trans | -64.1 | 131.7 | -179.8 | -77.4 | -19.1 | 0 | 0 | 0 | 110.1 | E512 L519 Q520 | E512-D515 WeakPolarHBondContact O-CB 3.46Å; E512-D515 PolarHBondContact O-N 3.32Å; D515-L519 HydrophobicContact CB-CB 4.06Å; D515-Q520 HydrophobicContact CB-CG 4.29Å; D515-Q520 PolarHBondContact O-NE2 2.99Å | ||
| 516 | P | 81.8 | Confident | 74.1 | Confident | 64 Ų | 64 | 70.2 Ų | 70.2 | 42% | 0.416 | 36% | 0.355 | S | S | . | . | trans | -47.4 | 149.4 | 168.5 | -29.3 | 32 | 0 | 0 | 0 | 112.8 | E518 L519 Q520 | P516-E518 VanDerWaalsContact CB-CD 3.43Å; P516-E518 HydrophobicContact CB-CG 4.13Å; P516-E518 PolarHBondContact O-N 2.79Å; P516-L519 HydrophobicContact CG-CD1 4.39Å; P516-L519 PolarHBondContact O-N 3.11Å; P516-Q520 PolarHBondContact O-N 3.49Å | ||
| 517 | V | 80.7 | Confident | 75.8 | Confident | 86 Ų | 86 | 64 Ų | 64 | 52% | 0.521 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -50.3 | -36 | -177 | 172 | 0 | 0 | 0 | 0 | 112.2 | L519 Q520 | V517-L519 VanDerWaalsContact C-N 3.25Å; V517-L519 PolarHBondContact O-N 3.09Å; V517-Q520 PolarHBondContact O-N 3.32Å |
| 518 | E | 81.4 | Confident | 77.8 | Confident | 68 Ų | 68 | 60.4 Ų | 60.4 | 32% | 0.318 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -65.4 | -21.1 | 179 | 61.6 | -99.6 | -149.6 | 0 | 0 | 115.9 | T428 L429 D430 P516 | T428-E518 WeakPolarHBondContact CB-O 3.45Å; L429-E518 HydrophobicContact CB-CB 4.07Å; L429-E518 PolarHBondContact N-O 2.81Å; D430-E518 HydrophobicContact CB-CB 4.36Å; D430-E518 HydrophobicContact CB-CG 4.38Å; D430-E518 WeakPolarHBondContact CB-O 3.23Å; D430-E518 PolarHBondContact N-O 2.72Å; P516-E518 VanDerWaalsContact CB-CD 3.43Å; P516-E518 HydrophobicContact CB-CG 4.13Å; P516-E518 PolarHBondContact O-N 2.79Å |
| 519 | L | 84.4 | Confident | 79.9 | Confident | 54 Ų | 54 | 54.7 Ų | 54.7 | 28% | 0.283 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -97.8 | -15.2 | 178.9 | -69.8 | 171.1 | 0 | 0 | 0 | 112.4 | D430 D515 P516 V517 | D430-L519 HydrophobicContact CB-CD2 3.65Å; D430-L519 HydrophobicContact CB-CG 4.35Å; D430-L519 WeakPolarHBondContact OD2-CD2 3.22Å; D515-L519 HydrophobicContact CB-CB 4.06Å; P516-L519 HydrophobicContact CG-CD1 4.39Å; P516-L519 PolarHBondContact O-N 3.11Å; V517-L519 VanDerWaalsContact C-N 3.25Å; V517-L519 PolarHBondContact O-N 3.09Å |
| 520 | Q | 84.7 | Confident | 81.9 | Confident | 47 Ų | 47 | 57.6 Ų | 57.6 | 22% | 0.22 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -73.5 | 143.2 | -179.4 | -66.2 | -175.2 | 5.8 | 0 | 0 | 111.3 | D515 P516 V517 | D515-Q520 HydrophobicContact CB-CG 4.29Å; D515-Q520 PolarHBondContact O-NE2 2.99Å; P516-Q520 PolarHBondContact O-N 3.49Å; V517-Q520 PolarHBondContact O-N 3.32Å |
| 521 | P | 88.1 | Confident | 84.1 | Confident | 20 Ų | 20 | 55.4 Ų | 55.4 | 13% | 0.13 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -68.8 | 167.7 | 175.8 | 31.1 | -35.8 | 0 | 0 | 0 | 112 | R490 V494 | R490-P521 PolarHBondContact NH1-O 3.45Å; V494-P521 HydrophobicContact CG2-CG 4.47Å |
| 522 | F | 93.4 | Very high | 86.1 | Confident | 3 Ų | 3 | 49.7 Ų | 49.7 | 1% | 0.013 | 26% | 0.259 | C | S | . | . | trans | 58.7 | 50.9 | 179.6 | -45.5 | -90.9 | 0 | 0 | 0 | 113.6 | V456 Y458 A463 T481 Y486 L489 R490 V494 | V456-F522 HydrophobicContact CB-CB 4.34Å; V456-F522 HydrophobicContact CG1-CB 4.39Å; V456-F522 HydrophobicContact CG2-CD1 4.42Å; Y458-F522 HydrophobicContact CD1-CD1 4.15Å; Y458-F522 AromaticContact CD1-CE1 3.35Å; Y458-F522 HydrophobicContact CD1-CE1 3.35Å; Y458-F522 AromaticContact CD1-CZ 3.96Å; Y458-F522 HydrophobicContact CD1-CZ 3.96Å; Y458-F522 HydrophobicContact CD2-CD1 4.04Å; Y458-F522 AromaticContact CD2-CE1 3.57Å; Y458-F522 HydrophobicContact CD2-CE1 3.57Å; Y458-F522 HydrophobicContact CD2-CE2 4.34Å; Y458-F522 AromaticContact CD2-CZ 3.71Å; Y458-F522 HydrophobicContact CD2-CZ 3.71Å; Y458-F522 AromaticContact CE1-CE1 3.73Å; Y458-F522 HydrophobicContact CE1-CE1 3.73Å; Y458-F522 AromaticContact CE1-CZ 3.89Å; Y458-F522 HydrophobicContact CE1-CZ 3.89Å; Y458-F522 AromaticContact CE2-CE1 3.94Å; Y458-F522 HydrophobicContact CE2-CE1 3.94Å; Y458-F522 HydrophobicContact CE2-CE2 4.3Å; Y458-F522 AromaticContact CE2-CZ 3.64Å; Y458-F522 HydrophobicContact CE2-CZ 3.64Å; Y458-F522 AromaticContact CG-CD1 3.69Å; Y458-F522 HydrophobicContact CG-CD1 3.69Å; Y458-F522 AromaticContact CG-CE1 3.26Å; Y458-F522 HydrophobicContact CG-CE1 3.26Å; Y458-F522 AromaticContact CG-CZ 3.88Å; Y458-F522 HydrophobicContact CG-CZ 3.88Å; Y458-F522 AromaticContact CZ-CZ 3.74Å; A463-F522 HydrophobicContact CB-CZ 4.14Å; T481-F522 HydrophobicContact CG2-CE1 4.49Å; Y486-F522 WeakPolarHBondContact CE2-O 3.41Å; Y486-F522 PolarHBondContact OH-O 3.4Å; L489-F522 HydrophobicContact CD2-CE1 4.28Å; L489-F522 HydrophobicContact CD2-CZ 4.42Å; R490-F522 PolarHBondContact NH1-O 3.34Å; V494-F522 HydrophobicContact CB-CE2 4.3Å; V494-F522 HydrophobicContact CG2-CD2 4.2Å; V494-F522 HydrophobicContact CG2-CE2 3.5Å; V494-F522 VanDerWaalsContact CG2-CE2 3.5Å; V494-F522 HydrophobicContact CG2-CZ 4.34Å | ||
| 523 | P | 95.6 | Very high | 88 | Confident | 6 Ų | 6 | 48.4 Ų | 48.4 | 4% | 0.039 | 25% | 0.254 | C | S | . | . | trans | -62.6 | 149.5 | 167.1 | 30.3 | -32.7 | 0 | 0 | 0 | 109.3 | N427 L429 V456 V457 | N427-P523 WeakPolarHBondContact O-CD 3.48Å; N427-P523 WeakPolarHBondContact O-CG 3.43Å; L429-P523 HydrophobicContact CD2-CB 4.44Å; L429-P523 HydrophobicContact CG-CB 4.07Å; V456-P523 WeakPolarHBondContact CA-O 3.38Å; V457-P523 HydrophobicContact CB-CG 3.88Å; V457-P523 HydrophobicContact CG2-CG 4.19Å; V457-P523 PolarHBondContact N-O 2.98Å | ||
| 524 | L | 97.4 | Very high | 89.9 | Confident | 20 Ų | 20 | 47.8 Ų | 47.8 | 11% | 0.105 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -72.4 | 141.8 | 172.1 | -65.7 | 166.1 | 0 | 0 | 0 | 109.2 | H454 V455 V456 Y486 H526 S527 C528 | H454-L524 HydrophobicContact CB-CD2 3.72Å; V455-L524 WeakPolarHBondContact O-CA 3.44Å; V456-L524 HydrophobicContact CG1-CD2 4.19Å; Y486-L524 HydrophobicContact CD1-CD1 4.42Å; Y486-L524 HydrophobicContact CD1-CD2 4.33Å; Y486-L524 HydrophobicContact CD2-CD2 3.83Å; Y486-L524 HydrophobicContact CE1-CD1 3.8Å; Y486-L524 HydrophobicContact CE1-CD2 4.14Å; Y486-L524 HydrophobicContact CE1-CG 4.02Å; Y486-L524 HydrophobicContact CE2-CD2 3.62Å; Y486-L524 HydrophobicContact CE2-CG 3.89Å; Y486-L524 HydrophobicContact CG-CD2 4.18Å; L524-H526 VanDerWaalsContact C-N 3.29Å; L524-H526 WeakPolarHBondContact CB-NE2 3.45Å; L524-H526 WeakPolarHBondContact CD1-NE2 3.28Å; L524-H526 PolarHBondContact O-N 3.25Å; L524-S527 WeakPolarHBondContact O-CB 3.28Å; L524-S527 PolarHBondContact O-N 2.88Å; L524-S527 VanDerWaalsContact O-N 3.09Å; L524-C528 PolarHBondContact O-N 3.45Å |
| 525 | L | 98.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.8 | -41 | -179 | 177.2 | 62.2 | 0 | 0 | 0 | 111.3 | M445 V447 V455 V457 S527 C528 F529 I540 I572 | M445-L525 HydrophobicContact SD-CD1 3.81Å; V447-L525 HydrophobicContact CG1-CD1 3.98Å; V447-L525 HydrophobicContact CG1-CD2 4.13Å; V447-L525 HydrophobicContact CG1-CG 4.47Å; V455-L525 HydrophobicContact CB-CB 4.08Å; V455-L525 HydrophobicContact CB-CD2 4.48Å; V455-L525 HydrophobicContact CG1-CB 3.77Å; V455-L525 HydrophobicContact CG1-CD2 3.69Å; V455-L525 HydrophobicContact CG1-CG 4.38Å; V455-L525 PolarHBondContact O-N 3Å; V457-L525 HydrophobicContact CG2-CB 4.44Å; V457-L525 HydrophobicContact CG2-CD1 4.36Å; L525-S527 VanDerWaalsContact C-N 3.3Å; L525-S527 PolarHBondContact O-N 2.84Å; L525-C528 VanDerWaalsContact O-CB 3.31Å; L525-C528 WeakPolarHBondContact O-CB 3.48Å; L525-C528 PolarHBondContact O-N 2.98Å; L525-F529 HydrophobicContact CD1-CE2 4.12Å; L525-F529 HydrophobicContact CD1-CZ 4.02Å; L525-F529 HydrophobicContact CD2-CE2 4.11Å; L525-F529 HydrophobicContact CD2-CZ 4.32Å; L525-F529 HydrophobicContact CG-CD2 4.43Å; L525-F529 HydrophobicContact CG-CE2 3.7Å; L525-F529 HydrophobicContact CG-CZ 4.04Å; L525-F529 PolarHBondContact O-N 2.83Å; L525-I540 HydrophobicContact CD1-CD1 4.2Å; L525-I572 HydrophobicContact CD2-CD1 4.36Å; L525-I572 HydrophobicContact CD2-CG1 3.79Å |
| 526 | H | 96.9 | Very high | 92.4 | Very high | 46 Ų | 46 | 39.6 Ų | 39.6 | 21% | 0.213 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.7 | -36.5 | 174.9 | 71.8 | 84.2 | 0 | 0 | 0 | 113.5 | L524 C528 F529 E530 E571 H575 | L524-H526 VanDerWaalsContact C-N 3.29Å; L524-H526 WeakPolarHBondContact CB-NE2 3.45Å; L524-H526 WeakPolarHBondContact CD1-NE2 3.28Å; L524-H526 PolarHBondContact O-N 3.25Å; H526-C528 VanDerWaalsContact C-N 3.28Å; H526-C528 PolarHBondContact O-N 3.12Å; H526-F529 WeakPolarHBondContact O-CB 3.34Å; H526-F529 PolarHBondContact O-N 3.24Å; H526-F529 VanDerWaalsContact O-N 3.07Å; H526-E530 WeakPolarHBondContact O-CG 3.42Å; H526-E530 PolarHBondContact O-N 3.34Å; H526-E530 VanDerWaalsContact O-N 3.1Å; H526-E571 HydrophobicContact CB-CG 4.39Å; H526-E571 IonicContact CD2-OE1 3.76Å; H526-E571 PolarHBondContact CD2-OE1 3Å; H526-E571 IonicContact CG-OE1 3.18Å; H526-E571 PolarHBondContact N-OE1 3.05Å; H526-H575 HydrophobicContact CB-CB 4.09Å |
| 527 | S | 96.7 | Very high | 93.2 | Very high | 22 Ų | 22 | 36.5 Ų | 36.5 | 15% | 0.154 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.6 | -36.9 | 173.4 | -63.2 | 0 | 0 | 0 | 0 | 111.6 | L524 L525 F529 E530 E531 | L524-S527 WeakPolarHBondContact O-CB 3.28Å; L524-S527 PolarHBondContact O-N 2.88Å; L524-S527 VanDerWaalsContact O-N 3.09Å; L525-S527 VanDerWaalsContact C-N 3.3Å; L525-S527 PolarHBondContact O-N 2.84Å; S527-F529 VanDerWaalsContact C-N 3.3Å; S527-F529 PolarHBondContact O-N 2.69Å; S527-E530 PolarHBondContact O-N 3.09Å; S527-E531 VanDerWaalsContact O-CB 3.31Å; S527-E531 WeakPolarHBondContact O-CB 3.24Å; S527-E531 WeakPolarHBondContact O-CG 3.37Å; S527-E531 PolarHBondContact O-N 3.36Å |
| 528 | C | 97.8 | Very high | 94 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.7 | -36.4 | 173.7 | -58.8 | 0 | 0 | 0 | 0 | 112.2 | L429 L524 L525 H526 I532 F538 | L429-C528 HydrophobicContact CD2-CB 4.36Å; L524-C528 PolarHBondContact O-N 3.45Å; L525-C528 VanDerWaalsContact O-CB 3.31Å; L525-C528 WeakPolarHBondContact O-CB 3.48Å; L525-C528 PolarHBondContact O-N 2.98Å; H526-C528 VanDerWaalsContact C-N 3.28Å; H526-C528 PolarHBondContact O-N 3.12Å; C528-I532 VanDerWaalsContact O-CB 3.23Å; C528-I532 WeakPolarHBondContact O-CB 3.32Å; C528-I532 VanDerWaalsContact O-CG1 3.31Å; C528-I532 WeakPolarHBondContact O-CG1 3.32Å; C528-I532 PolarHBondContact O-N 2.96Å; C528-F538 HydrophobicContact CB-CE2 4.02Å; C528-F538 HydrophobicContact CB-CZ 4.28Å |
| 529 | F | 97.8 | Very high | 94.8 | Very high | 14 Ų | 14 | 29.2 Ų | 29.2 | 6% | 0.061 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.9 | -38.6 | 176.3 | -65.2 | -49.5 | 0 | 0 | 0 | 113.1 | L525 H526 S527 F538 I540 I572 H575 A576 R579 I581 | L525-F529 HydrophobicContact CD1-CE2 4.12Å; L525-F529 HydrophobicContact CD1-CZ 4.02Å; L525-F529 HydrophobicContact CD2-CE2 4.11Å; L525-F529 HydrophobicContact CD2-CZ 4.32Å; L525-F529 HydrophobicContact CG-CD2 4.43Å; L525-F529 HydrophobicContact CG-CE2 3.7Å; L525-F529 HydrophobicContact CG-CZ 4.04Å; L525-F529 PolarHBondContact O-N 2.83Å; H526-F529 WeakPolarHBondContact O-CB 3.34Å; H526-F529 PolarHBondContact O-N 3.24Å; H526-F529 VanDerWaalsContact O-N 3.07Å; S527-F529 VanDerWaalsContact C-N 3.3Å; S527-F529 PolarHBondContact O-N 2.69Å; F529-F538 AromaticContact CD1-CD2 3.9Å; F529-F538 HydrophobicContact CD1-CD2 3.9Å; F529-F538 AromaticContact CD1-CE2 3.57Å; F529-F538 HydrophobicContact CD1-CE2 3.57Å; F529-F538 AromaticContact CE1-CD2 3.52Å; F529-F538 HydrophobicContact CE1-CD2 3.52Å; F529-F538 AromaticContact CE1-CE2 3.69Å; F529-F538 HydrophobicContact CE1-CE2 3.69Å; F529-F538 HydrophobicContact CZ-CD2 4.49Å; F529-I540 HydrophobicContact CE1-CD1 4.31Å; F529-I540 HydrophobicContact CZ-CD1 3.92Å; F529-I572 HydrophobicContact CE2-CG1 4.38Å; F529-I572 HydrophobicContact CZ-CG1 4.2Å; F529-I572 HydrophobicContact CZ-CG2 4.43Å; F529-H575 HydrophobicContact CB-CB 4.38Å; F529-H575 HydrophobicContact CD2-CB 3.65Å; F529-H575 HydrophobicContact CE2-CB 4.42Å; F529-H575 HydrophobicContact CG-CB 4.4Å; F529-A576 HydrophobicContact CD1-CB 4.16Å; F529-A576 HydrophobicContact CE1-CB 3.89Å; F529-A576 HydrophobicContact CE2-CB 4.29Å; F529-A576 HydrophobicContact CG-CB 4.49Å; F529-A576 HydrophobicContact CZ-CB 3.97Å; F529-R579 PolarHBondContact O-NH2 2.71Å; F529-R579 VanDerWaalsContact O-NH2 3.09Å; F529-I581 HydrophobicContact CE1-CD1 3.54Å; F529-I581 HydrophobicContact CE1-CG1 4.47Å; F529-I581 HydrophobicContact CZ-CD1 3.81Å |
| 530 | E | 95.9 | Very high | 95.5 | Very high | 128 Ų | 128 | 26.7 Ų | 26.7 | 60% | 0.598 | 14% | 0.14 | S | C | * | . | H | α-helix | trans | -78.1 | -39.3 | -176 | -70 | 172.5 | -180 | 0 | 0 | 113 | H526 S527 H575 | H526-E530 WeakPolarHBondContact O-CG 3.42Å; H526-E530 PolarHBondContact O-N 3.34Å; H526-E530 VanDerWaalsContact O-N 3.1Å; S527-E530 PolarHBondContact O-N 3.09Å; E530-H575 IonicContact OE1-ND1 2.86Å |
| 531 | E | 95.4 | Very high | 96.2 | Very high | 84 Ų | 84 | 25.1 Ų | 25.1 | 39% | 0.393 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -101.3 | -19 | -168.4 | -62.7 | -176 | -125 | 0 | 0 | 114.9 | R433 S527 | R433-E531 IonicContact NH2-OE2 3.17Å; R433-E531 PolarHBondContact NH2-OE2 3.33Å; S527-E531 VanDerWaalsContact O-CB 3.31Å; S527-E531 WeakPolarHBondContact O-CB 3.24Å; S527-E531 WeakPolarHBondContact O-CG 3.37Å; S527-E531 PolarHBondContact O-N 3.36Å |
| 532 | I | 96.8 | Very high | 96.7 | Very high | 4 Ų | 4 | 24.2 Ų | 24.2 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -94.7 | 144.3 | -178.6 | -54.2 | -58.2 | 0 | 0 | 0 | 110.5 | L429 F432 R433 V436 C528 L536 F538 R579 | L429-I532 HydrophobicContact CB-CD1 4.36Å; L429-I532 HydrophobicContact CD2-CD1 3.94Å; L429-I532 HydrophobicContact CD2-CG1 4.09Å; F432-I532 HydrophobicContact CB-CD1 3.76Å; F432-I532 HydrophobicContact CB-CG1 4.1Å; F432-I532 HydrophobicContact CB-CG2 4.29Å; F432-I532 HydrophobicContact CD2-CG1 4.45Å; R433-I532 HydrophobicContact CG-CD1 3.77Å; V436-I532 HydrophobicContact CG2-CG2 4.28Å; C528-I532 VanDerWaalsContact O-CB 3.23Å; C528-I532 WeakPolarHBondContact O-CB 3.32Å; C528-I532 VanDerWaalsContact O-CG1 3.31Å; C528-I532 WeakPolarHBondContact O-CG1 3.32Å; C528-I532 PolarHBondContact O-N 2.96Å; I532-L536 HydrophobicContact CG2-CD2 3.64Å; I532-F538 HydrophobicContact CB-CE1 4.49Å; I532-F538 HydrophobicContact CB-CZ 4.08Å; I532-F538 HydrophobicContact CG1-CZ 4.49Å; I532-F538 HydrophobicContact CG2-CE1 4.07Å; I532-F538 HydrophobicContact CG2-CZ 4.16Å; I532-R579 PolarHBondContact O-NH2 3.11Å |
| 533 | D | 95.2 | Very high | 96.9 | Very high | 46 Ų | 46 | 25 Ų | 25 | 25% | 0.246 | 13% | 0.13 | C | C | . | . | trans | -45.4 | 123.9 | -179 | -171.3 | -56.2 | 0 | 0 | 0 | 112.7 | V436 D535 L536 R579 K701 | V436-D533 HydrophobicContact CG1-CB 3.84Å; V436-D533 HydrophobicContact CG2-CB 3.96Å; D533-D535 PolarHBondContact O-N 3.01Å; D533-D535 WeakPolarHBondContact OD1-CB 3.48Å; D533-D535 PolarHBondContact OD1-N 3.41Å; D533-L536 WeakPolarHBondContact O-CB 3.32Å; D533-L536 PolarHBondContact O-N 3.37Å; D533-L536 VanDerWaalsContact O-N 3.1Å; D533-R579 PolarHBondContact O-NH1 2.99Å; D533-K701 WeakPolarHBondContact OD1-CE 3.41Å; D533-K701 IonicContact OD1-NZ 3.02Å; D533-K701 VanDerWaalsContact OD2-CE 3.28Å; D533-K701 WeakPolarHBondContact OD2-CE 3.48Å; D533-K701 IonicContact OD2-NZ 3.02Å; D533-K701 PolarHBondContact OD2-NZ 3.01Å | ||
| 534 | P | 94 | Very high | 97 | Very high | 88 Ų | 88 | 25.5 Ų | 25.5 | 57% | 0.571 | 13% | 0.131 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -17.1 | -174.2 | 26.9 | -35.8 | 0 | 0 | 0 | 114.9 | ||
| 535 | D | 92.4 | Very high | 97 | Very high | 26 Ų | 26 | 25 Ų | 25 | 14% | 0.139 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -12.3 | 176.3 | -69 | -38.3 | 0 | 0 | 0 | 112.7 | D533 K701 R704 | D533-D535 PolarHBondContact O-N 3.01Å; D533-D535 WeakPolarHBondContact OD1-CB 3.48Å; D533-D535 PolarHBondContact OD1-N 3.41Å; D535-K701 HydrophobicContact CB-CD 4.43Å; D535-K701 HydrophobicContact CB-CG 3.72Å; D535-R704 IonicContact OD1-CZ 2.72Å; D535-R704 IonicContact OD1-NH1 3.09Å; D535-R704 PolarHBondContact OD1-NH1 2.77Å; D535-R704 IonicContact OD2-NH1 3.77Å; D535-R704 PolarHBondContact OD2-NH1 2.73Å |
| 536 | L | 95.9 | Very high | 96.9 | Very high | 5 Ų | 5 | 25.3 Ų | 25.3 | 3% | 0.026 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -74.5 | 125 | 171.5 | -173.1 | 66.9 | 0 | 0 | 0 | 110.2 | V436 A440 V443 I532 D533 F538 R579 | V436-L536 HydrophobicContact CG2-CB 3.99Å; V436-L536 HydrophobicContact CG2-CD1 4.18Å; V436-L536 HydrophobicContact CG2-CD2 3.42Å; V436-L536 VanDerWaalsContact CG2-CD2 3.42Å; V436-L536 HydrophobicContact CG2-CG 4.06Å; A440-L536 HydrophobicContact CB-CD1 4.15Å; A440-L536 WeakPolarHBondContact O-CD1 3.47Å; V443-L536 HydrophobicContact CB-CD2 4.39Å; V443-L536 HydrophobicContact CG1-CD1 4.31Å; V443-L536 HydrophobicContact CG1-CD2 3.82Å; V443-L536 HydrophobicContact CG1-CG 4.47Å; V443-L536 HydrophobicContact CG2-CD2 3.72Å; V443-L536 HydrophobicContact CG2-CG 4.32Å; I532-L536 HydrophobicContact CG2-CD2 3.64Å; D533-L536 WeakPolarHBondContact O-CB 3.32Å; D533-L536 PolarHBondContact O-N 3.37Å; D533-L536 VanDerWaalsContact O-N 3.1Å; L536-F538 HydrophobicContact CD2-CE1 4.04Å; L536-F538 HydrophobicContact CG-CE1 4.33Å; L536-R579 PolarHBondContact O-NH1 3.04Å |
| 537 | G | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 152.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | D441 F442 V443 R580 | D441-G537 PolarHBondContact O-N 3.45Å; F442-G537 CarbonylContact C-O 3.59Å; F442-G537 WeakPolarHBondContact CA-O 3.38Å; F442-G537 WeakPolarHBondContact CB-O 3.49Å; V443-G537 PolarHBondContact N-O 3.24Å; G537-R580 CarbonylContact C-O 3.56Å; G537-R580 WeakPolarHBondContact CA-O 3.47Å |
| 538 | F | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 136 | 172.6 | -63.4 | -10.9 | 0 | 0 | 0 | 110.9 | V443 M445 C528 F529 I532 L536 I540 R580 I581 L582 | V443-F538 HydrophobicContact CG2-CD1 3.68Å; V443-F538 HydrophobicContact CG2-CE1 3.96Å; V443-F538 CarbonylContact O-C 3.4Å; V443-F538 WeakPolarHBondContact O-CA 3.22Å; M445-F538 HydrophobicContact CE-CB 3.96Å; M445-F538 HydrophobicContact CE-CD1 3.62Å; M445-F538 HydrophobicContact CE-CD2 3.48Å; M445-F538 VanDerWaalsContact CE-CD2 3.48Å; M445-F538 HydrophobicContact CE-CE1 3.94Å; M445-F538 HydrophobicContact CE-CE2 3.78Å; M445-F538 HydrophobicContact CE-CG 3.42Å; M445-F538 VanDerWaalsContact CE-CG 3.42Å; M445-F538 HydrophobicContact CE-CZ 4.02Å; M445-F538 HydrophobicContact SD-CD2 4.07Å; M445-F538 HydrophobicContact SD-CE2 4.47Å; M445-F538 HydrophobicContact SD-CG 4.42Å; C528-F538 HydrophobicContact CB-CE2 4.02Å; C528-F538 HydrophobicContact CB-CZ 4.28Å; F529-F538 AromaticContact CD1-CD2 3.9Å; F529-F538 HydrophobicContact CD1-CD2 3.9Å; F529-F538 AromaticContact CD1-CE2 3.57Å; F529-F538 HydrophobicContact CD1-CE2 3.57Å; F529-F538 AromaticContact CE1-CD2 3.52Å; F529-F538 HydrophobicContact CE1-CD2 3.52Å; F529-F538 AromaticContact CE1-CE2 3.69Å; F529-F538 HydrophobicContact CE1-CE2 3.69Å; F529-F538 HydrophobicContact CZ-CD2 4.49Å; I532-F538 HydrophobicContact CB-CE1 4.49Å; I532-F538 HydrophobicContact CB-CZ 4.08Å; I532-F538 HydrophobicContact CG1-CZ 4.49Å; I532-F538 HydrophobicContact CG2-CE1 4.07Å; I532-F538 HydrophobicContact CG2-CZ 4.16Å; L536-F538 HydrophobicContact CD2-CE1 4.04Å; L536-F538 HydrophobicContact CG-CE1 4.33Å; F538-I540 HydrophobicContact CB-CD1 4.37Å; F538-I540 HydrophobicContact CB-CG1 3.94Å; F538-R580 PolarHBondContact N-O 3.12Å; F538-I581 HydrophobicContact CB-CG1 4.45Å; F538-I581 CarbonylContact O-C 3.55Å; F538-I581 VanDerWaalsContact O-CA 3.25Å; F538-I581 WeakPolarHBondContact O-CA 3.44Å; F538-L582 PolarHBondContact O-N 3.09Å |
| 539 | V | 98.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 113.3 | 158.4 | -175.7 | 0 | 0 | 0 | 0 | 105.7 | I401 F442 V443 E444 M445 L582 | I401-V539 HydrophobicContact CD1-CG2 4.08Å; I401-V539 HydrophobicContact CG2-CG2 4Å; F442-V539 HydrophobicContact CB-CG2 4.19Å; F442-V539 HydrophobicContact CD1-CG2 4.08Å; F442-V539 HydrophobicContact CG-CG2 4.33Å; V443-V539 PolarHBondContact O-N 3.15Å; E444-V539 CarbonylContact C-O 3.28Å; E444-V539 VanDerWaalsContact CA-O 3.29Å; E444-V539 WeakPolarHBondContact CA-O 3.48Å; E444-V539 HydrophobicContact CB-CB 4.06Å; E444-V539 HydrophobicContact CG-CB 4.25Å; E444-V539 HydrophobicContact CG-CG1 4.26Å; M445-V539 PolarHBondContact N-O 3.43Å; V539-L582 CarbonylContact C-O 3.4Å; V539-L582 WeakPolarHBondContact CA-O 3.32Å; V539-L582 HydrophobicContact CG1-CB 4.43Å; V539-L582 HydrophobicContact CG2-CB 4.25Å; V539-L582 HydrophobicContact CG2-CD1 3.99Å; V539-L582 HydrophobicContact CG2-CG 4.34Å |
| 540 | I | 98.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 105 | -175.9 | -61.3 | 178 | 0 | 0 | 0 | 107.7 | M445 V447 L525 F529 F538 V542 I572 I581 L582 L583 S584 | M445-I540 HydrophobicContact CG-CG1 4.18Å; M445-I540 HydrophobicContact SD-CG1 4.24Å; V447-I540 HydrophobicContact CB-CG2 4.25Å; V447-I540 HydrophobicContact CG1-CG2 3.76Å; V447-I540 HydrophobicContact CG2-CG2 3.44Å; V447-I540 VanDerWaalsContact CG2-CG2 3.44Å; L525-I540 HydrophobicContact CD1-CD1 4.2Å; F529-I540 HydrophobicContact CE1-CD1 4.31Å; F529-I540 HydrophobicContact CZ-CD1 3.92Å; F538-I540 HydrophobicContact CB-CD1 4.37Å; F538-I540 HydrophobicContact CB-CG1 3.94Å; I540-V542 PolarHBondContact O-N 3.05Å; I540-I572 HydrophobicContact CD1-CD1 4Å; I540-I572 HydrophobicContact CD1-CG1 4.3Å; I540-I572 HydrophobicContact CG2-CD1 4.42Å; I540-I581 HydrophobicContact CD1-CD1 4.2Å; I540-I581 HydrophobicContact CD1-CG2 3.75Å; I540-I581 HydrophobicContact CG1-CG2 4.1Å; I540-L582 PolarHBondContact N-O 2.67Å; I540-L583 HydrophobicContact CB-CD2 4.3Å; I540-S584 PolarHBondContact O-N 3.24Å |
| 541 | E | 98.8 | Very high | 95.8 | Very high | 15 Ų | 15 | 35.1 Ų | 35.1 | 7% | 0.07 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 112.5 | 169.8 | -177.1 | 175 | 142.8 | 0 | 0 | 109.6 | M445 V447 K543 S584 L606 | M445-E541 PolarHBondContact O-N 2.97Å; V447-E541 PolarHBondContact N-O 3.09Å; E541-K543 HydrophobicContact CG-CD 4.06Å; E541-K543 PolarHBondContact O-N 2.92Å; E541-K543 WeakPolarHBondContact OE1-CD 3.4Å; E541-K543 WeakPolarHBondContact OE1-CE 3.45Å; E541-K543 IonicContact OE1-NZ 3.9Å; E541-K543 PolarHBondContact OE1-NZ 3.49Å; E541-S584 CarbonylContact C-O 3.56Å; E541-S584 WeakPolarHBondContact CA-O 3.07Å; E541-L606 HydrophobicContact CG-CD1 4.23Å; E541-L606 WeakPolarHBondContact OE2-CD2 3.5Å |
| 542 | V | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 106.1 | 171 | 177.3 | 0 | 0 | 0 | 0 | 108.1 | V447 I540 Y544 Y564 I568 S584 C585 V590 L594 | V447-V542 HydrophobicContact CG2-CG2 4.08Å; I540-V542 PolarHBondContact O-N 3.05Å; V542-Y544 PolarHBondContact O-N 3.27Å; V542-Y564 HydrophobicContact CG1-CD1 4.25Å; V542-Y564 HydrophobicContact CG1-CE1 3.64Å; V542-I568 HydrophobicContact CG1-CD1 3.74Å; V542-I568 HydrophobicContact CG2-CG2 4.17Å; V542-S584 PolarHBondContact N-O 3.32Å; V542-C585 PolarHBondContact O-SG 2.61Å; V542-V590 HydrophobicContact CB-CG1 4.24Å; V542-V590 HydrophobicContact CG1-CG1 3.88Å; V542-L594 HydrophobicContact CB-CD1 4.49Å; V542-L594 HydrophobicContact CG2-CD1 4.15Å; V542-L594 HydrophobicContact CG2-CD2 4.28Å |
| 543 | K | 98.3 | Very high | 95.5 | Very high | 21 Ų | 21 | 35.2 Ų | 35.2 | 9% | 0.091 | 20% | 0.202 | C | C | . | . | trans | -69.4 | 129.9 | 179.1 | -58.5 | -60.2 | -69.1 | -169.1 | 0 | 110.1 | D446 V447 Q448 H459 F461 E541 Y564 | D446-K543 HydrophobicContact CB-CD 4.01Å; D446-K543 HydrophobicContact CB-CG 4.03Å; D446-K543 WeakPolarHBondContact OD1-CD 3.26Å; D446-K543 IonicContact OD1-NZ 3.6Å; V447-K543 PolarHBondContact O-N 3.19Å; Q448-K543 HydrophobicContact CB-CB 4.39Å; H459-K543 PolarHBondContact NE2-NZ 3Å; H459-K543 WeakPolarHBondContact O-CE 2.88Å; F461-K543 HydrophobicContact CE1-CB 3.9Å; F461-K543 HydrophobicContact CZ-CB 4.24Å; E541-K543 HydrophobicContact CG-CD 4.06Å; E541-K543 PolarHBondContact O-N 2.92Å; E541-K543 WeakPolarHBondContact OE1-CD 3.4Å; E541-K543 WeakPolarHBondContact OE1-CE 3.45Å; E541-K543 IonicContact OE1-NZ 3.9Å; E541-K543 PolarHBondContact OE1-NZ 3.49Å; K543-Y564 WeakPolarHBondContact O-CE1 3.27Å; K543-Y564 VanDerWaalsContact O-CZ 3.26Å; K543-Y564 PolarHBondContact O-OH 2.92Å | ||
| 544 | Y | 98 | Very high | 95.5 | Very high | 15 Ų | 15 | 36.8 Ų | 36.8 | 6% | 0.059 | 21% | 0.208 | C | C | . | . | trans | -144.1 | 131 | 170.8 | -161 | -86.5 | 0 | 0 | 0 | 109.3 | V542 M546 F558 F559 Y561 Y564 D587 V590 | V542-Y544 PolarHBondContact O-N 3.27Å; Y544-M546 PolarHBondContact O-N 2.77Å; Y544-F558 AromaticContact CD2-CD1 3.9Å; Y544-F558 HydrophobicContact CD2-CD1 3.9Å; Y544-F558 AromaticContact CD2-CE1 3.84Å; Y544-F558 HydrophobicContact CD2-CE1 3.84Å; Y544-F558 AromaticContact CE2-CD1 3.66Å; Y544-F558 HydrophobicContact CE2-CD1 3.66Å; Y544-F558 HydrophobicContact CE2-CE1 4.02Å; Y544-F559 PolarHBondContact OH-O 2.7Å; Y544-Y561 AromaticContact CD1-CE1 3.77Å; Y544-Y561 HydrophobicContact CD1-CE1 3.77Å; Y544-Y561 HydrophobicContact CD2-CD1 4.38Å; Y544-Y561 HydrophobicContact CD2-CE1 4.36Å; Y544-Y561 HydrophobicContact CE1-CD1 4.02Å; Y544-Y561 AromaticContact CE1-CE1 3.31Å; Y544-Y561 HydrophobicContact CE1-CE1 3.31Å; Y544-Y561 AromaticContact CE1-CE2 3.99Å; Y544-Y561 HydrophobicContact CE1-CE2 3.99Å; Y544-Y561 AromaticContact CE1-CZ 3.29Å; Y544-Y561 WeakPolarHBondContact CE1-OH 3.24Å; Y544-Y561 AromaticContact CE2-CD1 3.8Å; Y544-Y561 HydrophobicContact CE2-CD1 3.8Å; Y544-Y561 AromaticContact CE2-CE1 3.94Å; Y544-Y561 HydrophobicContact CE2-CE1 3.94Å; Y544-Y561 HydrophobicContact CE2-CG 4.26Å; Y544-Y561 HydrophobicContact CG-CE1 4.27Å; Y544-Y561 AromaticContact CZ-CD1 3.6Å; Y544-Y561 AromaticContact CZ-CE1 3.39Å; Y544-Y561 AromaticContact CZ-CE2 3.86Å; Y544-Y561 AromaticContact CZ-CG 3.94Å; Y544-Y561 AromaticContact CZ-CZ 3.53Å; Y544-Y561 WeakPolarHBondContact OH-CD2 3.43Å; Y544-Y561 VanDerWaalsContact OH-CE2 3.3Å; Y544-Y561 WeakPolarHBondContact OH-CE2 3.42Å; Y544-Y564 AromaticContact CD2-CD1 3.86Å; Y544-Y564 HydrophobicContact CD2-CD1 3.86Å; Y544-Y564 HydrophobicContact CD2-CE1 4.02Å; Y544-Y564 HydrophobicContact CD2-CG 4.48Å; Y544-Y564 HydrophobicContact CE2-CD1 4.3Å; Y544-D587 HydrophobicContact CD1-CB 4.36Å; Y544-V590 HydrophobicContact CD1-CG2 4.37Å; Y544-V590 HydrophobicContact CD2-CG2 3.94Å; Y544-V590 HydrophobicContact CG-CG2 3.77Å | ||
| 545 | P | 96.9 | Very high | 95.5 | Very high | 10 Ų | 10 | 33.7 Ų | 33.7 | 7% | 0.065 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -62.3 | 133.8 | -176 | -23.3 | 33.2 | 0 | 0 | 0 | 113 | F461 E554 M555 F558 | F461-P545 HydrophobicContact CD1-CG 4.24Å; F461-P545 HydrophobicContact CE1-CG 3.74Å; F461-P545 HydrophobicContact CE2-CB 4.36Å; F461-P545 HydrophobicContact CE2-CG 4.25Å; F461-P545 HydrophobicContact CZ-CB 4.17Å; F461-P545 HydrophobicContact CZ-CG 3.76Å; P545-E554 HydrophobicContact CB-CB 4.15Å; P545-M555 HydrophobicContact CB-CB 4.01Å; P545-M555 HydrophobicContact CG-CB 3.78Å; P545-M555 HydrophobicContact CG-CE 4.42Å; P545-F558 VanDerWaalsContact CD-CD1 3.41Å; P545-F558 HydrophobicContact CG-CB 4.09Å; P545-F558 HydrophobicContact CG-CD1 3.96Å; P545-F558 HydrophobicContact CG-CD2 3.79Å; P545-F558 HydrophobicContact CG-CE1 4.33Å; P545-F558 HydrophobicContact CG-CE2 4.21Å; P545-F558 HydrophobicContact CG-CG 3.67Å; P545-F558 HydrophobicContact CG-CZ 4.45Å |
| 546 | M | 95.7 | Very high | 95.4 | Very high | 6 Ų | 6 | 37.6 Ų | 37.6 | 3% | 0.03 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -97.9 | 147.8 | 178.7 | -65.4 | -68.4 | -76.2 | 0 | 0 | 112.4 | Y544 E554 F586 D587 Y612 H617 | Y544-M546 PolarHBondContact O-N 2.77Å; M546-E554 WeakPolarHBondContact CB-OE2 3.49Å; M546-E554 PolarHBondContact N-OE2 2.79Å; M546-E554 PolarHBondContact O-N 3.46Å; M546-E554 VanDerWaalsContact O-N 3.1Å; M546-F586 HydrophobicContact CG-CB 4.39Å; M546-F586 HydrophobicContact SD-CB 4.46Å; M546-D587 VanDerWaalsContact SD-CA 3.54Å; M546-D587 HydrophobicContact SD-CB 3.67Å; M546-Y612 HydrophobicContact CB-CD1 3.34Å; M546-Y612 HydrophobicContact CB-CD2 4.2Å; M546-Y612 HydrophobicContact CB-CE1 3.57Å; M546-Y612 HydrophobicContact CB-CE2 4.39Å; M546-Y612 HydrophobicContact CB-CG 3.71Å; M546-Y612 HydrophobicContact CE-CD2 3.7Å; M546-Y612 HydrophobicContact CE-CE2 4.43Å; M546-Y612 HydrophobicContact CE-CG 3.89Å; M546-Y612 HydrophobicContact CG-CD1 4.02Å; M546-Y612 HydrophobicContact CG-CD2 4.03Å; M546-Y612 HydrophobicContact CG-CE1 4.01Å; M546-Y612 HydrophobicContact CG-CE2 4.01Å; M546-Y612 HydrophobicContact CG-CG 4.07Å; M546-H617 WeakPolarHBondContact CE-NE2 3.11Å |
| 547 | E | 93.8 | Very high | 95.1 | Very high | 50 Ų | 50 | 45.9 Ų | 45.9 | 23% | 0.234 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -77.5 | 127 | 168.3 | -174.9 | -177.9 | -163 | 0 | 0 | 109.6 | R350 R369 Y612 A613 | R350-E547 IonicContact CZ-OE1 4Å; R350-E547 IonicContact NH1-OE1 3.2Å; R350-E547 PolarHBondContact NH1-OE1 3.26Å; R350-E547 IonicContact NH1-OE2 3.67Å; R350-E547 IonicContact NH2-OE1 3.18Å; R369-E547 IonicContact CZ-OE2 2.87Å; R369-E547 IonicContact NH1-OE2 3.25Å; R369-E547 PolarHBondContact NH1-OE2 2.91Å; R369-E547 IonicContact NH2-OE2 3.63Å; R369-E547 PolarHBondContact NH2-OE2 2.81Å; E547-Y612 CarbonylContact O-C 3.55Å; E547-Y612 WeakPolarHBondContact O-CA 3.44Å; E547-Y612 WeakPolarHBondContact O-CB 3.45Å; E547-A613 HydrophobicContact CB-CB 4.37Å; E547-A613 HydrophobicContact CG-CB 4.13Å; E547-A613 WeakPolarHBondContact O-CB 3.29Å; E547-A613 PolarHBondContact O-N 2.77Å |
| 548 | L | 94.4 | Very high | 95 | Very high | 46 Ų | 46 | 47.2 Ų | 47.2 | 24% | 0.241 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -82 | 156.7 | 176.3 | -63.8 | 176.5 | 0 | 0 | 0 | 111.4 | D550 G551 S552 E611 Y612 | L548-D550 WeakPolarHBondContact CB-OD1 3.37Å; L548-D550 PolarHBondContact O-N 3.3Å; L548-D550 VanDerWaalsContact O-N 3.16Å; L548-G551 PolarHBondContact O-N 2.91Å; L548-S552 WeakPolarHBondContact CD1-OG 3.49Å; L548-S552 PolarHBondContact N-O 3.26Å; L548-E611 HydrophobicContact CD2-CB 4.46Å; L548-Y612 HydrophobicContact CD2-CD1 3.79Å; L548-Y612 HydrophobicContact CD2-CE1 4.12Å |
| 549 | K | 91 | Very high | 95 | Very high | 140 Ų | 140 | 48.6 Ų | 48.6 | 61% | 0.609 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -24.3 | 179.3 | -82.4 | -175.6 | 175.4 | 167.6 | 0 | 114.8 | G551 P610 E611 | K549-G551 PolarHBondContact O-N 3.44Å; K549-P610 WeakPolarHBondContact CD-O 3.35Å; K549-P610 WeakPolarHBondContact CE-O 2.91Å; K549-P610 PolarHBondContact NZ-O 3.01Å; K549-E611 PolarHBondContact N-O 2.94Å |
| 550 | D | 92.3 | Very high | 94.9 | Very high | 127 Ų | 127 | 51.2 Ų | 51.2 | 68% | 0.679 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -3.3 | 175.7 | 66.9 | 2.9 | 0 | 0 | 0 | 113.2 | L548 S552 | L548-D550 WeakPolarHBondContact CB-OD1 3.37Å; L548-D550 PolarHBondContact O-N 3.3Å; L548-D550 VanDerWaalsContact O-N 3.16Å; D550-S552 WeakPolarHBondContact OD1-CB 3.34Å; D550-S552 PolarHBondContact OD1-N 2.9Å; D550-S552 PolarHBondContact OD1-OG 3.09Å; D550-S552 PolarHBondContact OD2-OG 3.05Å |
| 551 | G | 90.2 | Very high | 94.8 | Very high | 53 Ų | 53 | 52 Ų | 52 | 55% | 0.546 | 27% | 0.273 | S | S | . | . | S | Bend | trans | 90 | -0.7 | 180 | 0 | 0 | 0 | 0 | 0 | 114.4 | L548 K549 | L548-G551 PolarHBondContact O-N 2.91Å; K549-G551 PolarHBondContact O-N 3.44Å |
| 552 | S | 93.7 | Very high | 94.8 | Very high | 50 Ų | 50 | 51.7 Ų | 51.7 | 35% | 0.35 | 27% | 0.271 | S | S | . | . | trans | -79 | 167.9 | 170.2 | 67.3 | 0 | 0 | 0 | 0 | 111.7 | L548 D550 | L548-S552 WeakPolarHBondContact CD1-OG 3.49Å; L548-S552 PolarHBondContact N-O 3.26Å; D550-S552 WeakPolarHBondContact OD1-CB 3.34Å; D550-S552 PolarHBondContact OD1-N 2.9Å; D550-S552 PolarHBondContact OD1-OG 3.09Å; D550-S552 PolarHBondContact OD2-OG 3.05Å | ||
| 553 | S | 93.3 | Very high | 94.8 | Very high | 40 Ų | 40 | 55.3 Ų | 55.3 | 28% | 0.28 | 29% | 0.287 | S | S | . | . | B | Isolated β-bridge | trans | -116.8 | 150 | 174.8 | -173.8 | 0 | 0 | 0 | 0 | 109.3 | M555 D556 | S553-M555 PolarHBondContact O-N 3.26Å; S553-M555 PolarHBondContact OG-N 2.93Å; S553-M555 PolarHBondContact OG-O 3.39Å; S553-D556 WeakPolarHBondContact CB-OD1 3.37Å |
| 554 | E | 94.3 | Very high | 94.8 | Very high | 79 Ų | 79 | 54.3 Ų | 54.3 | 37% | 0.369 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -59.6 | -31.9 | 169 | -67.1 | -178.1 | 118.4 | 0 | 0 | 111.9 | F461 P545 M546 | F461-E554 HydrophobicContact CD2-CB 4.32Å; F461-E554 HydrophobicContact CE2-CB 4.06Å; P545-E554 HydrophobicContact CB-CB 4.15Å; M546-E554 WeakPolarHBondContact CB-OE2 3.49Å; M546-E554 PolarHBondContact N-OE2 2.79Å; M546-E554 PolarHBondContact O-N 3.46Å; M546-E554 VanDerWaalsContact O-N 3.1Å |
| 555 | M | 94.4 | Very high | 94.8 | Very high | 23 Ų | 23 | 53.6 Ų | 53.6 | 11% | 0.113 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -156.2 | 136.1 | 171.8 | -177 | 149.4 | 70.1 | 0 | 0 | 111.3 | F461 A480 K482 P545 S553 F558 | F461-M555 HydrophobicContact CB-CE 3.71Å; F461-M555 HydrophobicContact CB-SD 4.01Å; F461-M555 HydrophobicContact CD1-CE 3.63Å; F461-M555 HydrophobicContact CG-CE 3.88Å; A480-M555 HydrophobicContact CB-SD 3.86Å; K482-M555 HydrophobicContact CD-CE 3.97Å; K482-M555 HydrophobicContact CD-SD 4.23Å; K482-M555 HydrophobicContact CG-CE 4.04Å; K482-M555 HydrophobicContact CG-SD 4.35Å; P545-M555 HydrophobicContact CB-CB 4.01Å; P545-M555 HydrophobicContact CG-CB 3.78Å; P545-M555 HydrophobicContact CG-CE 4.42Å; S553-M555 PolarHBondContact O-N 3.26Å; S553-M555 PolarHBondContact OG-N 2.93Å; S553-M555 PolarHBondContact OG-O 3.39Å; M555-F558 HydrophobicContact CE-CD2 3.15Å; M555-F558 HydrophobicContact CE-CE2 3.12Å; M555-F558 HydrophobicContact CE-CG 4.42Å; M555-F558 HydrophobicContact CE-CZ 4.36Å; M555-F558 HydrophobicContact CG-CD2 4.48Å |
| 556 | D | 90.5 | Very high | 94.9 | Very high | 109 Ų | 109 | 53.2 Ų | 53.2 | 58% | 0.583 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -92 | 160 | 176.2 | -65.2 | -46.9 | 0 | 0 | 0 | 111.9 | S553 F558 | S553-D556 WeakPolarHBondContact CB-OD1 3.37Å; D556-F558 VanDerWaalsContact C-N 3.27Å; D556-F558 PolarHBondContact O-N 2.84Å |
| 557 | H | 89.6 | Confident | 95 | Very high | 179 Ų | 179 | 53.7 Ų | 53.7 | 83% | 0.829 | 28% | 0.28 | S | S | * | . | S | Bend | trans | 51.1 | 44.4 | 176.5 | -52.4 | -64.7 | 0 | 0 | 0 | 113.4 | ||
| 558 | F | 95.6 | Very high | 95.3 | Very high | 27 Ų | 27 | 51.3 Ų | 51.3 | 12% | 0.118 | 27% | 0.269 | C | S | . | . | trans | -75 | 176.4 | 175.3 | -155.8 | -114.8 | 0 | 0 | 0 | 112 | F461 K482 Y544 P545 M555 D556 Y564 | F461-F558 HydrophobicContact CD1-CE2 4.36Å; F461-F558 HydrophobicContact CE1-CZ 4.4Å; K482-F558 HydrophobicContact CB-CE2 4.4Å; K482-F558 HydrophobicContact CD-CD2 3.84Å; K482-F558 HydrophobicContact CD-CE2 4.31Å; Y544-F558 AromaticContact CD2-CD1 3.9Å; Y544-F558 HydrophobicContact CD2-CD1 3.9Å; Y544-F558 AromaticContact CD2-CE1 3.84Å; Y544-F558 HydrophobicContact CD2-CE1 3.84Å; Y544-F558 AromaticContact CE2-CD1 3.66Å; Y544-F558 HydrophobicContact CE2-CD1 3.66Å; Y544-F558 HydrophobicContact CE2-CE1 4.02Å; P545-F558 VanDerWaalsContact CD-CD1 3.41Å; P545-F558 HydrophobicContact CG-CB 4.09Å; P545-F558 HydrophobicContact CG-CD1 3.96Å; P545-F558 HydrophobicContact CG-CD2 3.79Å; P545-F558 HydrophobicContact CG-CE1 4.33Å; P545-F558 HydrophobicContact CG-CE2 4.21Å; P545-F558 HydrophobicContact CG-CG 3.67Å; P545-F558 HydrophobicContact CG-CZ 4.45Å; M555-F558 HydrophobicContact CE-CD2 3.15Å; M555-F558 HydrophobicContact CE-CE2 3.12Å; M555-F558 HydrophobicContact CE-CG 4.42Å; M555-F558 HydrophobicContact CE-CZ 4.36Å; M555-F558 HydrophobicContact CG-CD2 4.48Å; D556-F558 VanDerWaalsContact C-N 3.27Å; D556-F558 PolarHBondContact O-N 2.84Å; F558-Y564 AromaticContact CE1-CD2 3.96Å; F558-Y564 HydrophobicContact CE1-CD2 3.96Å; F558-Y564 HydrophobicContact CE1-CE1 4.2Å; F558-Y564 AromaticContact CE1-CE2 3.56Å; F558-Y564 HydrophobicContact CE1-CE2 3.56Å; F558-Y564 HydrophobicContact CE1-CG 4.44Å; F558-Y564 AromaticContact CE1-CZ 3.68Å; F558-Y564 HydrophobicContact CZ-CD2 4.43Å; F558-Y564 AromaticContact CZ-CE2 3.68Å; F558-Y564 HydrophobicContact CZ-CE2 3.68Å; F558-Y564 AromaticContact CZ-CZ 3.86Å | ||
| 559 | F | 97.3 | Very high | 95.5 | Very high | 30 Ų | 30 | 49.1 Ų | 49.1 | 13% | 0.132 | 26% | 0.258 | C | S | . | . | trans | -63.1 | 147.7 | 176.2 | -64.1 | -75.5 | 0 | 0 | 0 | 112.1 | L449 T450 H453 K482 Y544 F563 Y564 | L449-F559 HydrophobicContact CB-CD2 4.2Å; L449-F559 HydrophobicContact CB-CE2 3.7Å; L449-F559 HydrophobicContact CB-CZ 4.07Å; T450-F559 WeakPolarHBondContact O-CZ 3.36Å; H453-F559 AromaticContact CD2-CE1 3.68Å; H453-F559 AromaticContact NE2-CE1 3.87Å; K482-F559 HydrophobicContact CB-CD2 4.36Å; K482-F559 HydrophobicContact CB-CE2 3.46Å; K482-F559 VanDerWaalsContact CB-CE2 3.46Å; K482-F559 HydrophobicContact CB-CZ 3.82Å; Y544-F559 PolarHBondContact OH-O 2.7Å; F559-F563 HydrophobicContact CB-CD1 4.47Å; F559-F563 HydrophobicContact CD1-CD1 4.11Å; F559-F563 AromaticContact CD1-CE1 3.98Å; F559-F563 HydrophobicContact CD1-CE1 3.98Å; F559-F563 HydrophobicContact CE1-CE1 4.39Å; F559-Y564 HydrophobicContact CB-CD2 3.68Å; F559-Y564 HydrophobicContact CB-CG 4.23Å; F559-Y564 AromaticContact CD2-CD2 3.68Å; F559-Y564 HydrophobicContact CD2-CD2 3.68Å; F559-Y564 AromaticContact CD2-CE2 3.83Å; F559-Y564 HydrophobicContact CD2-CE2 3.83Å; F559-Y564 AromaticContact CG-CD2 3.92Å; F559-Y564 HydrophobicContact CG-CD2 3.92Å | ||
| 560 | E | 97 | Very high | 95.8 | Very high | 56 Ų | 56 | 45.3 Ų | 45.3 | 26% | 0.262 | 24% | 0.24 | S | C | . | . | trans | -65.4 | 138.5 | 172 | -172.2 | -78.3 | 143.5 | 0 | 0 | 110.7 | T347 N562 F563 Y564 | T347-E560 WeakPolarHBondContact CB-OE1 3.46Å; T347-E560 VanDerWaalsContact OG1-CD 3.31Å; T347-E560 VanDerWaalsContact OG1-CG 3.32Å; T347-E560 WeakPolarHBondContact OG1-CG 3.32Å; T347-E560 PolarHBondContact OG1-OE1 2.92Å; E560-N562 PolarHBondContact O-N 2.86Å; E560-N562 PolarHBondContact OE1-N 3.48Å; E560-N562 PolarHBondContact OE1-ND2 3.33Å; E560-N562 WeakPolarHBondContact OE2-CA 3.38Å; E560-N562 VanDerWaalsContact OE2-CB 3.27Å; E560-N562 WeakPolarHBondContact OE2-CB 3.39Å; E560-N562 PolarHBondContact OE2-N 2.88Å; E560-F563 PolarHBondContact O-N 2.64Å; E560-F563 PolarHBondContact OE2-N 3.29Å; E560-Y564 WeakPolarHBondContact O-CB 3.46Å; E560-Y564 PolarHBondContact O-N 3.16Å | ||
| 561 | Y | 98.1 | Very high | 96 | Very high | 17 Ų | 17 | 40.6 Ų | 40.6 | 7% | 0.067 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -52.8 | -48.7 | -172.6 | -78.3 | -83.6 | 0 | 0 | 0 | 114.5 | Y348 L371 Y544 Y564 V565 D587 N589 V590 M593 | Y348-Y561 AromaticContact CD1-CD2 3.57Å; Y348-Y561 HydrophobicContact CD1-CD2 3.57Å; Y348-Y561 AromaticContact CD1-CE2 3.95Å; Y348-Y561 HydrophobicContact CD1-CE2 3.95Å; Y348-Y561 HydrophobicContact CD2-CD2 4.14Å; Y348-Y561 AromaticContact CD2-CE2 3.63Å; Y348-Y561 HydrophobicContact CD2-CE2 3.63Å; Y348-Y561 AromaticContact CE1-CD2 3.88Å; Y348-Y561 HydrophobicContact CE1-CD2 3.88Å; Y348-Y561 HydrophobicContact CE1-CE2 4.16Å; Y348-Y561 HydrophobicContact CE2-CD2 4.4Å; Y348-Y561 AromaticContact CE2-CE2 3.85Å; Y348-Y561 HydrophobicContact CE2-CE2 3.85Å; Y348-Y561 AromaticContact CG-CD2 3.71Å; Y348-Y561 HydrophobicContact CG-CD2 3.71Å; Y348-Y561 AromaticContact CG-CE2 3.68Å; Y348-Y561 HydrophobicContact CG-CE2 3.68Å; L371-Y561 HydrophobicContact CD1-CD2 4.21Å; L371-Y561 HydrophobicContact CD1-CG 4.34Å; Y544-Y561 AromaticContact CD1-CE1 3.77Å; Y544-Y561 HydrophobicContact CD1-CE1 3.77Å; Y544-Y561 HydrophobicContact CD2-CD1 4.38Å; Y544-Y561 HydrophobicContact CD2-CE1 4.36Å; Y544-Y561 HydrophobicContact CE1-CD1 4.02Å; Y544-Y561 AromaticContact CE1-CE1 3.31Å; Y544-Y561 HydrophobicContact CE1-CE1 3.31Å; Y544-Y561 AromaticContact CE1-CE2 3.99Å; Y544-Y561 HydrophobicContact CE1-CE2 3.99Å; Y544-Y561 AromaticContact CE1-CZ 3.29Å; Y544-Y561 WeakPolarHBondContact CE1-OH 3.24Å; Y544-Y561 AromaticContact CE2-CD1 3.8Å; Y544-Y561 HydrophobicContact CE2-CD1 3.8Å; Y544-Y561 AromaticContact CE2-CE1 3.94Å; Y544-Y561 HydrophobicContact CE2-CE1 3.94Å; Y544-Y561 HydrophobicContact CE2-CG 4.26Å; Y544-Y561 HydrophobicContact CG-CE1 4.27Å; Y544-Y561 AromaticContact CZ-CD1 3.6Å; Y544-Y561 AromaticContact CZ-CE1 3.39Å; Y544-Y561 AromaticContact CZ-CE2 3.86Å; Y544-Y561 AromaticContact CZ-CG 3.94Å; Y544-Y561 AromaticContact CZ-CZ 3.53Å; Y544-Y561 WeakPolarHBondContact OH-CD2 3.43Å; Y544-Y561 VanDerWaalsContact OH-CE2 3.3Å; Y544-Y561 WeakPolarHBondContact OH-CE2 3.42Å; Y561-Y564 PolarHBondContact O-N 2.92Å; Y561-V565 WeakPolarHBondContact O-CB 3.45Å; Y561-V565 WeakPolarHBondContact O-CG2 3.33Å; Y561-V565 PolarHBondContact O-N 3.37Å; Y561-D587 PolarHBondContact OH-OD2 3.31Å; Y561-N589 HydrophobicContact CD1-CB 4.47Å; Y561-N589 HydrophobicContact CE1-CB 3.92Å; Y561-N589 PolarHBondContact OH-ND2 3.25Å; Y561-V590 HydrophobicContact CD1-CG2 3.84Å; Y561-V590 HydrophobicContact CE1-CG2 3.81Å; Y561-M593 HydrophobicContact CD1-SD 4.22Å; Y561-M593 HydrophobicContact CG-SD 4.25Å |
| 562 | N | 98.3 | Very high | 96.4 | Very high | 8 Ų | 8 | 38 Ų | 38 | 4% | 0.043 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.4 | -47.6 | -178.3 | -72.9 | -86.8 | 0 | 0 | 0 | 110.7 | I372 Y374 E560 Y564 D566 M593 K597 | I372-N562 PolarHBondContact O-ND2 3.23Å; Y374-N562 PolarHBondContact N-OD1 2.95Å; E560-N562 PolarHBondContact O-N 2.86Å; E560-N562 PolarHBondContact OE1-N 3.48Å; E560-N562 PolarHBondContact OE1-ND2 3.33Å; E560-N562 WeakPolarHBondContact OE2-CA 3.38Å; E560-N562 VanDerWaalsContact OE2-CB 3.27Å; E560-N562 WeakPolarHBondContact OE2-CB 3.39Å; E560-N562 PolarHBondContact OE2-N 2.88Å; N562-Y564 VanDerWaalsContact C-N 3.32Å; N562-Y564 PolarHBondContact O-N 2.9Å; N562-D566 WeakPolarHBondContact O-CB 3.3Å; N562-D566 PolarHBondContact O-N 3.2Å; N562-M593 VanDerWaalsContact CA-CE 3.48Å; N562-M593 HydrophobicContact CB-CE 4.13Å; N562-M593 WeakPolarHBondContact OD1-CE 3.47Å; N562-K597 PolarHBondContact OD1-NZ 3.5Å |
| 563 | F | 98 | Very high | 96.6 | Very high | 76 Ų | 76 | 37.4 Ų | 37.4 | 33% | 0.333 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -57.7 | -46 | 177.2 | 176.3 | -96.9 | 0 | 0 | 0 | 112.1 | L449 H453 F559 E560 T567 | L449-F563 HydrophobicContact CD1-CE1 4.17Å; H453-F563 HydrophobicContact CB-CZ 4.24Å; H453-F563 AromaticContact CD2-CE1 3.43Å; H453-F563 VanDerWaalsContact CD2-CE1 3.43Å; H453-F563 WeakPolarHBondContact CD2-CE1 3.08Å; H453-F563 AromaticContact CD2-CZ 3.44Å; H453-F563 VanDerWaalsContact CD2-CZ 3.44Å; H453-F563 WeakPolarHBondContact CD2-CZ 3.3Å; H453-F563 AromaticContact CE1-CZ 3.56Å; H453-F563 AromaticContact CG-CE1 3.95Å; H453-F563 AromaticContact CG-CZ 3.53Å; H453-F563 AromaticContact ND1-CZ 3.62Å; H453-F563 AromaticContact NE2-CE1 3.56Å; H453-F563 AromaticContact NE2-CZ 3.43Å; H453-F563 WeakPolarHBondContact NE2-CZ 3.38Å; F559-F563 HydrophobicContact CB-CD1 4.47Å; F559-F563 HydrophobicContact CD1-CD1 4.11Å; F559-F563 AromaticContact CD1-CE1 3.98Å; F559-F563 HydrophobicContact CD1-CE1 3.98Å; F559-F563 HydrophobicContact CE1-CE1 4.39Å; E560-F563 PolarHBondContact O-N 2.64Å; E560-F563 PolarHBondContact OE2-N 3.29Å; F563-T567 WeakPolarHBondContact O-CB 3.3Å; F563-T567 PolarHBondContact O-N 3.39Å; F563-T567 VanDerWaalsContact O-N 3.15Å; F563-T567 PolarHBondContact O-OG1 2.89Å |
| 564 | Y | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.4 | -54.4 | -177.5 | -169.1 | -105.1 | 0 | 0 | 0 | 112 | Q448 L449 V542 K543 Y544 F558 F559 E560 Y561 N562 D566 T567 I568 | Q448-Y564 VanDerWaalsContact CA-OH 3.23Å; Q448-Y564 WeakPolarHBondContact CA-OH 3.2Å; Q448-Y564 WeakPolarHBondContact CB-OH 3.44Å; L449-Y564 HydrophobicContact CB-CD2 4.28Å; L449-Y564 HydrophobicContact CB-CE2 3.89Å; L449-Y564 HydrophobicContact CD1-CD2 3.52Å; L449-Y564 HydrophobicContact CD1-CE2 3.93Å; L449-Y564 HydrophobicContact CD1-CG 4.39Å; L449-Y564 HydrophobicContact CG-CD2 3.7Å; L449-Y564 HydrophobicContact CG-CE2 3.54Å; V542-Y564 HydrophobicContact CG1-CD1 4.25Å; V542-Y564 HydrophobicContact CG1-CE1 3.64Å; K543-Y564 WeakPolarHBondContact O-CE1 3.27Å; K543-Y564 VanDerWaalsContact O-CZ 3.26Å; K543-Y564 PolarHBondContact O-OH 2.92Å; Y544-Y564 AromaticContact CD2-CD1 3.86Å; Y544-Y564 HydrophobicContact CD2-CD1 3.86Å; Y544-Y564 HydrophobicContact CD2-CE1 4.02Å; Y544-Y564 HydrophobicContact CD2-CG 4.48Å; Y544-Y564 HydrophobicContact CE2-CD1 4.3Å; F558-Y564 AromaticContact CE1-CD2 3.96Å; F558-Y564 HydrophobicContact CE1-CD2 3.96Å; F558-Y564 HydrophobicContact CE1-CE1 4.2Å; F558-Y564 AromaticContact CE1-CE2 3.56Å; F558-Y564 HydrophobicContact CE1-CE2 3.56Å; F558-Y564 HydrophobicContact CE1-CG 4.44Å; F558-Y564 AromaticContact CE1-CZ 3.68Å; F558-Y564 HydrophobicContact CZ-CD2 4.43Å; F558-Y564 AromaticContact CZ-CE2 3.68Å; F558-Y564 HydrophobicContact CZ-CE2 3.68Å; F558-Y564 AromaticContact CZ-CZ 3.86Å; F559-Y564 HydrophobicContact CB-CD2 3.68Å; F559-Y564 HydrophobicContact CB-CG 4.23Å; F559-Y564 AromaticContact CD2-CD2 3.68Å; F559-Y564 HydrophobicContact CD2-CD2 3.68Å; F559-Y564 AromaticContact CD2-CE2 3.83Å; F559-Y564 HydrophobicContact CD2-CE2 3.83Å; F559-Y564 AromaticContact CG-CD2 3.92Å; F559-Y564 HydrophobicContact CG-CD2 3.92Å; E560-Y564 WeakPolarHBondContact O-CB 3.46Å; E560-Y564 PolarHBondContact O-N 3.16Å; Y561-Y564 PolarHBondContact O-N 2.92Å; N562-Y564 VanDerWaalsContact C-N 3.32Å; N562-Y564 PolarHBondContact O-N 2.9Å; Y564-D566 PolarHBondContact O-N 2.91Å; Y564-T567 PolarHBondContact O-N 3.31Å; Y564-I568 HydrophobicContact CD1-CD1 3.95Å; Y564-I568 HydrophobicContact CE1-CD1 3.55Å; Y564-I568 HydrophobicContact CE2-CD1 4.31Å; Y564-I568 PolarHBondContact O-N 3.01Å |
| 565 | V | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.7 | -41.3 | -178.1 | 175.5 | 0 | 0 | 0 | 0 | 111.4 | Y561 T567 I568 L569 V590 M593 L594 K597 | Y561-V565 WeakPolarHBondContact O-CB 3.45Å; Y561-V565 WeakPolarHBondContact O-CG2 3.33Å; Y561-V565 PolarHBondContact O-N 3.37Å; V565-T567 VanDerWaalsContact C-N 3.29Å; V565-T567 PolarHBondContact O-N 3.24Å; V565-I568 PolarHBondContact O-N 3.15Å; V565-L569 HydrophobicContact CG1-CD1 3.73Å; V565-L569 HydrophobicContact CG1-CG 4.11Å; V565-L569 WeakPolarHBondContact O-CB 3.45Å; V565-L569 WeakPolarHBondContact O-CG 3.19Å; V565-L569 PolarHBondContact O-N 3.5Å; V565-V590 HydrophobicContact CG2-CG1 4.1Å; V565-M593 HydrophobicContact CB-CB 4.43Å; V565-M593 HydrophobicContact CB-CE 4.43Å; V565-M593 HydrophobicContact CG1-CB 4.02Å; V565-M593 HydrophobicContact CG2-CB 4.18Å; V565-M593 HydrophobicContact CG2-CE 4.42Å; V565-M593 HydrophobicContact CG2-SD 4.49Å; V565-L594 HydrophobicContact CG1-CD2 3.93Å; V565-L594 HydrophobicContact CG1-CG 4.42Å; V565-K597 HydrophobicContact CG1-CD 3.91Å |
| 566 | D | 98.5 | Very high | 96.9 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.011 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.1 | -39.7 | 177.8 | -77.6 | 5.5 | 0 | 0 | 0 | 111.8 | M376 I377 N562 Y564 R570 K597 | M376-D566 WeakPolarHBondContact CA-OD2 3.16Å; M376-D566 HydrophobicContact CG-CB 4.2Å; I377-D566 PolarHBondContact N-OD2 3.47Å; N562-D566 WeakPolarHBondContact O-CB 3.3Å; N562-D566 PolarHBondContact O-N 3.2Å; Y564-D566 PolarHBondContact O-N 2.91Å; D566-R570 WeakPolarHBondContact O-CB 3.49Å; D566-R570 VanDerWaalsContact O-CG 3.3Å; D566-R570 WeakPolarHBondContact O-CG 3.34Å; D566-R570 PolarHBondContact O-N 3.16Å; D566-K597 VanDerWaalsContact OD1-CD 3.29Å; D566-K597 WeakPolarHBondContact OD1-CD 3.49Å; D566-K597 VanDerWaalsContact OD1-CE 3.32Å; D566-K597 WeakPolarHBondContact OD1-CE 3.43Å; D566-K597 IonicContact OD1-NZ 3.99Å; D566-K597 PolarHBondContact OD1-NZ 3.08Å; D566-K597 IonicContact OD2-NZ 2.7Å |
| 567 | T | 98.4 | Very high | 97 | Very high | 15 Ų | 15 | 36.8 Ų | 36.8 | 9% | 0.092 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.7 | -48.2 | -178.5 | -59 | 0 | 0 | 0 | 0 | 111.4 | L449 H453 F563 Y564 V565 R570 E571 | L449-T567 HydrophobicContact CD1-CG2 4.05Å; L449-T567 HydrophobicContact CD2-CG2 3.91Å; H453-T567 HydrophobicContact CB-CG2 4.43Å; F563-T567 WeakPolarHBondContact O-CB 3.3Å; F563-T567 PolarHBondContact O-N 3.39Å; F563-T567 VanDerWaalsContact O-N 3.15Å; F563-T567 PolarHBondContact O-OG1 2.89Å; Y564-T567 PolarHBondContact O-N 3.31Å; V565-T567 VanDerWaalsContact C-N 3.29Å; V565-T567 PolarHBondContact O-N 3.24Å; T567-R570 PolarHBondContact O-N 3.33Å; T567-R570 PolarHBondContact OG1-NH2 3.18Å; T567-R570 VanDerWaalsContact OG1-NH2 3.13Å; T567-E571 PolarHBondContact O-N 3.35Å |
| 568 | I | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.3 | -46.7 | 177.8 | -65.8 | 171 | 0 | 0 | 0 | 111 | V447 L449 V455 V542 Y564 V565 R570 E571 I572 | V447-I568 HydrophobicContact CG2-CD1 4.4Å; V447-I568 HydrophobicContact CG2-CG2 4.19Å; L449-I568 HydrophobicContact CD2-CG1 3.99Å; L449-I568 HydrophobicContact CG-CG1 4.48Å; V455-I568 HydrophobicContact CG1-CG1 4.22Å; V455-I568 HydrophobicContact CG2-CG1 4.04Å; V542-I568 HydrophobicContact CG1-CD1 3.74Å; V542-I568 HydrophobicContact CG2-CG2 4.17Å; Y564-I568 HydrophobicContact CD1-CD1 3.95Å; Y564-I568 HydrophobicContact CE1-CD1 3.55Å; Y564-I568 HydrophobicContact CE2-CD1 4.31Å; Y564-I568 PolarHBondContact O-N 3.01Å; V565-I568 PolarHBondContact O-N 3.15Å; I568-R570 PolarHBondContact O-N 3.27Å; I568-E571 PolarHBondContact O-N 3.01Å; I568-I572 HydrophobicContact CG2-CD1 3.77Å; I568-I572 HydrophobicContact CG2-CG1 4.43Å; I568-I572 WeakPolarHBondContact O-CG1 3.45Å; I568-I572 PolarHBondContact O-N 3.1Å |
| 569 | L | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.5 | -39.7 | 179.6 | -76.6 | -179.2 | 0 | 0 | 0 | 112.5 | M376 V565 E571 I572 L573 L583 L594 K597 Q598 | M376-L569 HydrophobicContact CE-CB 3.48Å; M376-L569 VanDerWaalsContact CE-CB 3.48Å; M376-L569 HydrophobicContact CE-CD1 3.66Å; M376-L569 HydrophobicContact CE-CG 4.24Å; V565-L569 HydrophobicContact CG1-CD1 3.73Å; V565-L569 HydrophobicContact CG1-CG 4.11Å; V565-L569 WeakPolarHBondContact O-CB 3.45Å; V565-L569 WeakPolarHBondContact O-CG 3.19Å; V565-L569 PolarHBondContact O-N 3.5Å; L569-E571 VanDerWaalsContact C-N 3.32Å; L569-E571 PolarHBondContact O-N 3.25Å; L569-I572 PolarHBondContact O-N 2.93Å; L569-L573 WeakPolarHBondContact O-CB 3.18Å; L569-L573 WeakPolarHBondContact O-CG 3.46Å; L569-L573 PolarHBondContact O-N 3.17Å; L569-L583 HydrophobicContact CD2-CD1 3.99Å; L569-L594 HydrophobicContact CD1-CD2 4.28Å; L569-L594 HydrophobicContact CD2-CD2 3.74Å; L569-L594 HydrophobicContact CG-CD2 3.95Å; L569-K597 HydrophobicContact CD1-CB 3.65Å; L569-K597 HydrophobicContact CD1-CD 4.47Å; L569-Q598 HydrophobicContact CD1-CG 4.24Å; L569-Q598 HydrophobicContact CD2-CG 3.99Å |
| 570 | R | 97.6 | Very high | 97 | Very high | 61 Ų | 61 | 39.2 Ų | 39.2 | 23% | 0.23 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.8 | -42.4 | 175.1 | -80.4 | -167.9 | -53.1 | -89.7 | -11.4 | 111.7 | M376 I377 K378 D566 T567 I568 T574 | M376-R570 HydrophobicContact CG-CG 4.43Å; M376-R570 HydrophobicContact SD-CG 3.75Å; I377-R570 WeakPolarHBondContact O-CD 3.38Å; I377-R570 PolarHBondContact O-NH1 2.87Å; K378-R570 VanDerWaalsContact O-CD 3.31Å; K378-R570 WeakPolarHBondContact O-CD 3.45Å; D566-R570 WeakPolarHBondContact O-CB 3.49Å; D566-R570 VanDerWaalsContact O-CG 3.3Å; D566-R570 WeakPolarHBondContact O-CG 3.34Å; D566-R570 PolarHBondContact O-N 3.16Å; T567-R570 PolarHBondContact O-N 3.33Å; T567-R570 PolarHBondContact OG1-NH2 3.18Å; T567-R570 VanDerWaalsContact OG1-NH2 3.13Å; I568-R570 PolarHBondContact O-N 3.27Å; R570-T574 WeakPolarHBondContact O-CB 3.39Å; R570-T574 PolarHBondContact O-N 3.18Å; R570-T574 PolarHBondContact O-OG1 3.43Å |
| 571 | E | 97.6 | Very high | 97.1 | Very high | 27 Ų | 27 | 36.7 Ų | 36.7 | 13% | 0.126 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.8 | -46.9 | 177.5 | -172.4 | 158.3 | 155 | 0 | 0 | 111.1 | V455 H526 T567 I568 L569 T574 H575 | V455-E571 VanDerWaalsContact CB-OE2 3.28Å; V455-E571 WeakPolarHBondContact CB-OE2 3.4Å; V455-E571 HydrophobicContact CG2-CB 4.05Å; V455-E571 HydrophobicContact CG2-CG 4.38Å; V455-E571 WeakPolarHBondContact CG2-OE2 3.43Å; H526-E571 HydrophobicContact CB-CG 4.39Å; H526-E571 IonicContact CD2-OE1 3.76Å; H526-E571 PolarHBondContact CD2-OE1 3Å; H526-E571 IonicContact CG-OE1 3.18Å; H526-E571 PolarHBondContact N-OE1 3.05Å; T567-E571 PolarHBondContact O-N 3.35Å; I568-E571 PolarHBondContact O-N 3.01Å; L569-E571 VanDerWaalsContact C-N 3.32Å; L569-E571 PolarHBondContact O-N 3.25Å; E571-T574 PolarHBondContact O-N 2.99Å; E571-H575 PolarHBondContact O-CD2 3.47Å; E571-H575 VanDerWaalsContact O-CD2 3.31Å; E571-H575 PolarHBondContact O-N 3.42Å |
| 572 | I | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.6 | -53.2 | 176.8 | -65.6 | 172.5 | 0 | 0 | 0 | 111.1 | L525 F529 I540 I568 L569 T574 H575 A576 I581 L583 Y601 | L525-I572 HydrophobicContact CD2-CD1 4.36Å; L525-I572 HydrophobicContact CD2-CG1 3.79Å; F529-I572 HydrophobicContact CE2-CG1 4.38Å; F529-I572 HydrophobicContact CZ-CG1 4.2Å; F529-I572 HydrophobicContact CZ-CG2 4.43Å; I540-I572 HydrophobicContact CD1-CD1 4Å; I540-I572 HydrophobicContact CD1-CG1 4.3Å; I540-I572 HydrophobicContact CG2-CD1 4.42Å; I568-I572 HydrophobicContact CG2-CD1 3.77Å; I568-I572 HydrophobicContact CG2-CG1 4.43Å; I568-I572 WeakPolarHBondContact O-CG1 3.45Å; I568-I572 PolarHBondContact O-N 3.1Å; L569-I572 PolarHBondContact O-N 2.93Å; I572-T574 PolarHBondContact O-N 3.32Å; I572-H575 PolarHBondContact O-N 3.29Å; I572-A576 HydrophobicContact CG2-CB 4.19Å; I572-A576 WeakPolarHBondContact O-CB 3.37Å; I572-A576 PolarHBondContact O-N 2.88Å; I572-I581 HydrophobicContact CG2-CD1 3.83Å; I572-L583 HydrophobicContact CD1-CD2 3.67Å; I572-Y601 HydrophobicContact CG2-CD2 4.03Å; I572-Y601 HydrophobicContact CG2-CE2 3.63Å |
| 573 | L | 96.7 | Very high | 97.1 | Very high | 37 Ų | 37 | 35.9 Ų | 35.9 | 19% | 0.194 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66 | -24 | -176.4 | -66.1 | 170.6 | 0 | 0 | 0 | 112.9 | M376 P380 L569 Q598 I600 Y601 | M376-L573 HydrophobicContact CE-CD1 4.01Å; M376-L573 HydrophobicContact SD-CD1 4.42Å; P380-L573 HydrophobicContact CG-CB 3.89Å; P380-L573 HydrophobicContact CG-CD1 4.37Å; L569-L573 WeakPolarHBondContact O-CB 3.18Å; L569-L573 WeakPolarHBondContact O-CG 3.46Å; L569-L573 PolarHBondContact O-N 3.17Å; L573-Q598 HydrophobicContact CD1-CB 4.27Å; L573-I600 HydrophobicContact CD2-CD1 3.84Å; L573-I600 HydrophobicContact CD2-CG1 4.47Å; L573-Y601 HydrophobicContact CD2-CD2 4.45Å; L573-Y601 HydrophobicContact CD2-CE2 4.09Å |
| 574 | T | 95.6 | Very high | 97.2 | Very high | 91 Ų | 91 | 32.4 Ų | 32.4 | 56% | 0.558 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -81.9 | -42.9 | 177.7 | -57.7 | 0 | 0 | 0 | 0 | 112 | R570 E571 I572 | R570-T574 WeakPolarHBondContact O-CB 3.39Å; R570-T574 PolarHBondContact O-N 3.18Å; R570-T574 PolarHBondContact O-OG1 3.43Å; E571-T574 PolarHBondContact O-N 2.99Å; I572-T574 PolarHBondContact O-N 3.32Å |
| 575 | H | 96.7 | Very high | 97.2 | Very high | 76 Ų | 76 | 32.4 Ų | 32.4 | 35% | 0.352 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -107.1 | -21.6 | -167 | -65.6 | -86.7 | 0 | 0 | 0 | 114.9 | H526 F529 E530 E571 I572 G577 | H526-H575 HydrophobicContact CB-CB 4.09Å; F529-H575 HydrophobicContact CB-CB 4.38Å; F529-H575 HydrophobicContact CD2-CB 3.65Å; F529-H575 HydrophobicContact CE2-CB 4.42Å; F529-H575 HydrophobicContact CG-CB 4.4Å; E530-H575 IonicContact OE1-ND1 2.86Å; E571-H575 PolarHBondContact O-CD2 3.47Å; E571-H575 VanDerWaalsContact O-CD2 3.31Å; E571-H575 PolarHBondContact O-N 3.42Å; I572-H575 PolarHBondContact O-N 3.29Å; H575-G577 VanDerWaalsContact C-N 3.29Å; H575-G577 PolarHBondContact O-N 3.35Å |
| 576 | A | 96.4 | Very high | 97.1 | Very high | 6 Ų | 6 | 33.5 Ų | 33.5 | 5% | 0.05 | 17% | 0.174 | C | C | . | . | trans | -67.9 | -22.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | F529 I572 K578 R579 I581 Y601 | F529-A576 HydrophobicContact CD1-CB 4.16Å; F529-A576 HydrophobicContact CE1-CB 3.89Å; F529-A576 HydrophobicContact CE2-CB 4.29Å; F529-A576 HydrophobicContact CG-CB 4.49Å; F529-A576 HydrophobicContact CZ-CB 3.97Å; I572-A576 HydrophobicContact CG2-CB 4.19Å; I572-A576 WeakPolarHBondContact O-CB 3.37Å; I572-A576 PolarHBondContact O-N 2.88Å; A576-K578 PolarHBondContact O-N 3.17Å; A576-K578 VanDerWaalsContact O-N 3.16Å; A576-R579 WeakPolarHBondContact O-CB 3.23Å; A576-R579 PolarHBondContact O-N 3.22Å; A576-I581 HydrophobicContact CB-CD1 3.43Å; A576-I581 VanDerWaalsContact CB-CD1 3.43Å; A576-Y601 VanDerWaalsContact CB-OH 3.28Å; A576-Y601 WeakPolarHBondContact CB-OH 3.28Å | ||
| 577 | G | 93.2 | Very high | 97 | Very high | 64 Ų | 64 | 33.8 Ų | 33.8 | 66% | 0.66 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | -117.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | H575 | H575-G577 VanDerWaalsContact C-N 3.29Å; H575-G577 PolarHBondContact O-N 3.35Å |
| 578 | K | 92.2 | Very high | 97 | Very high | 195 Ų | 195 | 33.1 Ų | 33.1 | 85% | 0.848 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102 | 10.1 | -180 | -62.2 | -178.5 | -177.1 | 174.9 | 0 | 113.5 | A576 | A576-K578 PolarHBondContact O-N 3.17Å; A576-K578 VanDerWaalsContact O-N 3.16Å |
| 579 | R | 95.2 | Very high | 96.9 | Very high | 11 Ų | 11 | 34.6 Ų | 34.6 | 4% | 0.042 | 18% | 0.179 | C | C | . | . | trans | -62.2 | 143 | -177.1 | -171.8 | 171.4 | -61 | -81.9 | 6.2 | 110.8 | F529 I532 D533 L536 A576 I581 | F529-R579 PolarHBondContact O-NH2 2.71Å; F529-R579 VanDerWaalsContact O-NH2 3.09Å; I532-R579 PolarHBondContact O-NH2 3.11Å; D533-R579 PolarHBondContact O-NH1 2.99Å; L536-R579 PolarHBondContact O-NH1 3.04Å; A576-R579 WeakPolarHBondContact O-CB 3.23Å; A576-R579 PolarHBondContact O-N 3.22Å; R579-I581 HydrophobicContact CB-CG1 4.38Å; R579-I581 HydrophobicContact CG-CG1 4.21Å; R579-I581 PolarHBondContact O-N 2.88Å | ||
| 580 | R | 95.6 | Very high | 96.9 | Very high | 81 Ų | 81 | 34.6 Ų | 34.6 | 31% | 0.306 | 18% | 0.179 | S | C | . | . | trans | -75.4 | 117.3 | 171.3 | -66.6 | 174.4 | -177.7 | 76 | 0.4 | 108.2 | F442 G537 F538 | F442-R580 HydrophobicContact CE1-CB 4.14Å; F442-R580 HydrophobicContact CZ-CB 4.41Å; G537-R580 CarbonylContact C-O 3.56Å; G537-R580 WeakPolarHBondContact CA-O 3.47Å; F538-R580 PolarHBondContact N-O 3.12Å | ||
| 581 | I | 98.2 | Very high | 97 | Very high | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.015 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 133.4 | 179.7 | -59.3 | 177.8 | 0 | 0 | 0 | 109.2 | F529 F538 I540 I572 A576 R579 L583 Y601 | F529-I581 HydrophobicContact CE1-CD1 3.54Å; F529-I581 HydrophobicContact CE1-CG1 4.47Å; F529-I581 HydrophobicContact CZ-CD1 3.81Å; F538-I581 HydrophobicContact CB-CG1 4.45Å; F538-I581 CarbonylContact O-C 3.55Å; F538-I581 VanDerWaalsContact O-CA 3.25Å; F538-I581 WeakPolarHBondContact O-CA 3.44Å; I540-I581 HydrophobicContact CD1-CD1 4.2Å; I540-I581 HydrophobicContact CD1-CG2 3.75Å; I540-I581 HydrophobicContact CG1-CG2 4.1Å; I572-I581 HydrophobicContact CG2-CD1 3.83Å; A576-I581 HydrophobicContact CB-CD1 3.43Å; A576-I581 VanDerWaalsContact CB-CD1 3.43Å; R579-I581 HydrophobicContact CB-CG1 4.38Å; R579-I581 HydrophobicContact CG-CG1 4.21Å; R579-I581 PolarHBondContact O-N 2.88Å; I581-L583 HydrophobicContact CG2-CD2 3.97Å; I581-L583 HydrophobicContact CG2-CG 4.34Å; I581-Y601 HydrophobicContact CB-CD1 3.59Å; I581-Y601 HydrophobicContact CB-CE1 3.73Å; I581-Y601 HydrophobicContact CB-CG 4.09Å; I581-Y601 HydrophobicContact CD1-CE1 4.1Å; I581-Y601 HydrophobicContact CD1-CE2 4.37Å; I581-Y601 HydrophobicContact CG1-CD1 4.4Å; I581-Y601 HydrophobicContact CG1-CE1 4.03Å; I581-Y601 HydrophobicContact CG2-CD1 4.4Å; I581-Y601 HydrophobicContact CG2-CG 4.43Å |
| 582 | L | 98.5 | Very high | 97 | Very high | 9 Ų | 9 | 30.4 Ų | 30.4 | 5% | 0.047 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 128.3 | 162.5 | -46.6 | -178 | 0 | 0 | 0 | 106.8 | W392 F442 F538 V539 I540 P602 F604 L660 | W392-L582 HydrophobicContact CH2-CD1 4.41Å; W392-L582 HydrophobicContact CZ3-CD1 3.88Å; W392-L582 HydrophobicContact CZ3-CD2 4.38Å; F442-L582 HydrophobicContact CE1-CD1 4.29Å; F442-L582 HydrophobicContact CE1-CG 4Å; F442-L582 HydrophobicContact CZ-CD1 4.39Å; F442-L582 HydrophobicContact CZ-CG 4.4Å; F538-L582 PolarHBondContact O-N 3.09Å; V539-L582 CarbonylContact C-O 3.4Å; V539-L582 WeakPolarHBondContact CA-O 3.32Å; V539-L582 HydrophobicContact CG1-CB 4.43Å; V539-L582 HydrophobicContact CG2-CB 4.25Å; V539-L582 HydrophobicContact CG2-CD1 3.99Å; V539-L582 HydrophobicContact CG2-CG 4.34Å; I540-L582 PolarHBondContact N-O 2.67Å; L582-P602 HydrophobicContact CD2-CG 3.58Å; L582-F604 HydrophobicContact CB-CD2 4.13Å; L582-F604 HydrophobicContact CB-CE2 4.16Å; L582-F604 HydrophobicContact CD1-CE2 4.05Å; L582-F604 HydrophobicContact CD1-CZ 4.24Å; L582-F604 HydrophobicContact CD2-CE2 3.99Å; L582-F604 HydrophobicContact CG-CE2 4.28Å; L582-L660 HydrophobicContact CD1-CD1 4.01Å |
| 583 | L | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 139.8 | 174.5 | -61.9 | 170.1 | 0 | 0 | 0 | 108.6 | I540 L569 I572 I581 L594 P602 V603 F604 | I540-L583 HydrophobicContact CB-CD2 4.3Å; L569-L583 HydrophobicContact CD2-CD1 3.99Å; I572-L583 HydrophobicContact CD1-CD2 3.67Å; I581-L583 HydrophobicContact CG2-CD2 3.97Å; I581-L583 HydrophobicContact CG2-CG 4.34Å; L583-L594 HydrophobicContact CB-CD1 4.25Å; L583-L594 HydrophobicContact CD1-CB 4.42Å; L583-L594 HydrophobicContact CD1-CD2 4.25Å; L583-P602 PolarHBondContact N-O 2.66Å; L583-V603 HydrophobicContact CB-CG2 4.29Å; L583-V603 HydrophobicContact CD1-CG2 4.39Å; L583-V603 CarbonylContact O-C 3.48Å; L583-V603 VanDerWaalsContact O-CA 3.32Å; L583-V603 WeakPolarHBondContact O-CA 3.36Å; L583-F604 PolarHBondContact O-N 3.03Å |
| 584 | S | 98.7 | Very high | 97.1 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.014 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 152.1 | 177.3 | 59.9 | 0 | 0 | 0 | 0 | 112.7 | I540 E541 V542 F604 L606 | I540-S584 PolarHBondContact O-N 3.24Å; E541-S584 CarbonylContact C-O 3.56Å; E541-S584 WeakPolarHBondContact CA-O 3.07Å; V542-S584 PolarHBondContact N-O 3.32Å; S584-F604 WeakPolarHBondContact CA-O 3.37Å; S584-L606 VanDerWaalsContact CB-CD1 3.49Å |
| 585 | C | 98.5 | Very high | 97.2 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.007 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 152 | 171.1 | -172 | 0 | 0 | 0 | 0 | 111.4 | V542 D587 V590 C591 F604 L606 | V542-C585 PolarHBondContact O-SG 2.61Å; C585-D587 PolarHBondContact SG-N 3.43Å; C585-V590 HydrophobicContact CB-CB 4.11Å; C585-V590 HydrophobicContact CB-CG1 3.86Å; C585-V590 VanDerWaalsContact SG-CB 3.6Å; C585-C591 PolarHBondContact O-SG 2.91Å; C585-C591 VanDerWaalsContact O-SG 3.33Å; C585-F604 PolarHBondContact N-O 3.02Å; C585-L606 VanDerWaalsContact CA-CD1 3.47Å; C585-L606 WeakPolarHBondContact O-CD1 3.19Å; C585-L606 PolarHBondContact O-N 3.47Å |
| 586 | F | 97.4 | Very high | 97.2 | Very high | 22 Ų | 22 | 22 Ų | 22 | 10% | 0.096 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -74.1 | -36.1 | 167.7 | -83.5 | -82.2 | 0 | 0 | 0 | 112.3 | M546 P588 L606 S609 Y612 W662 | M546-F586 HydrophobicContact CG-CB 4.39Å; M546-F586 HydrophobicContact SD-CB 4.46Å; F586-P588 VanDerWaalsContact O-CD 3.26Å; F586-P588 WeakPolarHBondContact O-CD 3.33Å; F586-L606 HydrophobicContact CD1-CB 3.72Å; F586-L606 HydrophobicContact CD2-CB 3.96Å; F586-L606 HydrophobicContact CD2-CD1 4.35Å; F586-L606 HydrophobicContact CD2-CD2 4.23Å; F586-L606 HydrophobicContact CD2-CG 4.4Å; F586-L606 HydrophobicContact CE1-CB 3.76Å; F586-L606 HydrophobicContact CE2-CB 3.99Å; F586-L606 HydrophobicContact CE2-CD2 3.69Å; F586-L606 HydrophobicContact CE2-CG 4.29Å; F586-L606 HydrophobicContact CG-CB 3.83Å; F586-L606 HydrophobicContact CZ-CB 3.89Å; F586-L606 HydrophobicContact CZ-CD2 3.93Å; F586-S609 WeakPolarHBondContact CE1-OG 3.47Å; F586-Y612 HydrophobicContact CB-CE2 4.45Å; F586-Y612 AromaticContact CD1-CE2 3.84Å; F586-Y612 HydrophobicContact CD1-CE2 3.84Å; F586-Y612 HydrophobicContact CE1-CE2 4.39Å; F586-Y612 HydrophobicContact CG-CE2 4.28Å; F586-W662 HydrophobicContact CE1-CH2 4.44Å; F586-W662 AromaticContact CE1-CZ2 3.98Å; F586-W662 HydrophobicContact CE1-CZ2 3.98Å; F586-W662 AromaticContact CZ-CH2 3.84Å; F586-W662 HydrophobicContact CZ-CH2 3.84Å; F586-W662 AromaticContact CZ-CZ2 3.6Å; F586-W662 HydrophobicContact CZ-CZ2 3.6Å |
| 587 | D | 97.4 | Very high | 97.3 | Very high | 9 Ų | 9 | 22 Ų | 22 | 5% | 0.048 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -73.5 | 116.2 | 178.7 | -169.4 | -49.9 | 0 | 0 | 0 | 110.1 | Y544 M546 Y561 C585 N589 V590 C591 | Y544-D587 HydrophobicContact CD1-CB 4.36Å; M546-D587 VanDerWaalsContact SD-CA 3.54Å; M546-D587 HydrophobicContact SD-CB 3.67Å; Y561-D587 PolarHBondContact OH-OD2 3.31Å; C585-D587 PolarHBondContact SG-N 3.43Å; D587-N589 VanDerWaalsContact C-N 3.28Å; D587-N589 PolarHBondContact O-N 3.43Å; D587-N589 WeakPolarHBondContact OD1-CA 3.49Å; D587-N589 WeakPolarHBondContact OD1-CB 3.39Å; D587-N589 PolarHBondContact OD1-N 2.7Å; D587-V590 HydrophobicContact CB-CB 4.16Å; D587-V590 HydrophobicContact CB-CG2 3.91Å; D587-V590 PolarHBondContact O-N 3.17Å; D587-V590 PolarHBondContact OD1-N 3.31Å; D587-C591 PolarHBondContact O-N 2.92Å; D587-C591 VanDerWaalsContact O-N 3.09Å; D587-C591 PolarHBondContact O-SG 2.73Å; D587-C591 VanDerWaalsContact O-SG 3.36Å |
| 588 | P | 96.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.006 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -69.2 | -24.6 | -178.7 | -11.3 | 25 | 0 | 0 | 0 | 112.9 | F586 C591 V592 R616 | F586-P588 VanDerWaalsContact O-CD 3.26Å; F586-P588 WeakPolarHBondContact O-CD 3.33Å; P588-C591 WeakPolarHBondContact O-CB 3.43Å; P588-C591 PolarHBondContact O-N 3.42Å; P588-V592 VanDerWaalsContact O-CG2 3.24Å; P588-V592 WeakPolarHBondContact O-CG2 3.38Å; P588-V592 PolarHBondContact O-N 3.35Å; P588-R616 HydrophobicContact CB-CB 4.33Å; P588-R616 VanDerWaalsContact CB-CZ 3.48Å; P588-R616 HydrophobicContact CG-CB 3.9Å |
| 589 | N | 97.6 | Very high | 97.6 | Very high | 30 Ų | 30 | 10.7 Ų | 10.7 | 16% | 0.16 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -65.6 | -41.9 | 172.5 | -58.7 | -31.3 | 0 | 0 | 0 | 110.9 | L371 Y561 D587 C591 V592 M593 R616 | L371-N589 HydrophobicContact CD2-CB 3.72Å; Y561-N589 HydrophobicContact CD1-CB 4.47Å; Y561-N589 HydrophobicContact CE1-CB 3.92Å; Y561-N589 PolarHBondContact OH-ND2 3.25Å; D587-N589 VanDerWaalsContact C-N 3.28Å; D587-N589 PolarHBondContact O-N 3.43Å; D587-N589 WeakPolarHBondContact OD1-CA 3.49Å; D587-N589 WeakPolarHBondContact OD1-CB 3.39Å; D587-N589 PolarHBondContact OD1-N 2.7Å; N589-C591 VanDerWaalsContact C-N 3.35Å; N589-V592 WeakPolarHBondContact O-CB 3.32Å; N589-V592 PolarHBondContact O-N 2.79Å; N589-M593 VanDerWaalsContact O-CG 3.26Å; N589-M593 WeakPolarHBondContact O-CG 3.28Å; N589-M593 PolarHBondContact O-N 2.8Å; N589-R616 PolarHBondContact OD1-NH1 2.81Å; N589-R616 VanDerWaalsContact OD1-NH1 3.12Å; N589-R616 PolarHBondContact OD1-NH2 2.91Å |
| 590 | V | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -63.5 | -43.3 | 174.2 | 174.9 | 0 | 0 | 0 | 0 | 110.2 | V542 Y544 Y561 V565 C585 D587 V592 M593 L594 | V542-V590 HydrophobicContact CB-CG1 4.24Å; V542-V590 HydrophobicContact CG1-CG1 3.88Å; Y544-V590 HydrophobicContact CD1-CG2 4.37Å; Y544-V590 HydrophobicContact CD2-CG2 3.94Å; Y544-V590 HydrophobicContact CG-CG2 3.77Å; Y561-V590 HydrophobicContact CD1-CG2 3.84Å; Y561-V590 HydrophobicContact CE1-CG2 3.81Å; V565-V590 HydrophobicContact CG2-CG1 4.1Å; C585-V590 HydrophobicContact CB-CB 4.11Å; C585-V590 HydrophobicContact CB-CG1 3.86Å; C585-V590 VanDerWaalsContact SG-CB 3.6Å; D587-V590 HydrophobicContact CB-CB 4.16Å; D587-V590 HydrophobicContact CB-CG2 3.91Å; D587-V590 PolarHBondContact O-N 3.17Å; D587-V590 PolarHBondContact OD1-N 3.31Å; V590-V592 VanDerWaalsContact C-N 3.31Å; V590-V592 PolarHBondContact O-N 3.29Å; V590-M593 PolarHBondContact O-N 2.77Å; V590-M593 VanDerWaalsContact O-N 3.09Å; V590-L594 HydrophobicContact CG1-CD1 3.81Å; V590-L594 HydrophobicContact CG1-CG 4.07Å; V590-L594 WeakPolarHBondContact O-CB 3.45Å; V590-L594 VanDerWaalsContact O-CG 3.25Å; V590-L594 WeakPolarHBondContact O-CG 3.48Å; V590-L594 PolarHBondContact O-N 2.96Å |
| 591 | C | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 8.4 Ų | 8.4 | 1% | 0.007 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -55.6 | -45.8 | 175.3 | -64.3 | 0 | 0 | 0 | 0 | 112.2 | C585 D587 P588 N589 M593 L594 Q595 V603 L632 | C585-C591 PolarHBondContact O-SG 2.91Å; C585-C591 VanDerWaalsContact O-SG 3.33Å; D587-C591 PolarHBondContact O-N 2.92Å; D587-C591 VanDerWaalsContact O-N 3.09Å; D587-C591 PolarHBondContact O-SG 2.73Å; D587-C591 VanDerWaalsContact O-SG 3.36Å; P588-C591 WeakPolarHBondContact O-CB 3.43Å; P588-C591 PolarHBondContact O-N 3.42Å; N589-C591 VanDerWaalsContact C-N 3.35Å; C591-M593 VanDerWaalsContact C-N 3.35Å; C591-M593 PolarHBondContact O-N 2.89Å; C591-L594 PolarHBondContact O-N 2.78Å; C591-Q595 PolarHBondContact O-N 3.13Å; C591-V603 HydrophobicContact CB-CG1 4.02Å; C591-L632 HydrophobicContact CB-CD1 4.04Å |
| 592 | V | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -58.2 | -47.2 | 174.8 | 170.4 | 0 | 0 | 0 | 0 | 111.3 | H171 I373 P588 N589 V590 Q595 L596 H630 | H171-V592 WeakPolarHBondContact CE1-CG1 3.24Å; I373-V592 HydrophobicContact CD1-CG1 3.56Å; P588-V592 VanDerWaalsContact O-CG2 3.24Å; P588-V592 WeakPolarHBondContact O-CG2 3.38Å; P588-V592 PolarHBondContact O-N 3.35Å; N589-V592 WeakPolarHBondContact O-CB 3.32Å; N589-V592 PolarHBondContact O-N 2.79Å; V590-V592 VanDerWaalsContact C-N 3.31Å; V590-V592 PolarHBondContact O-N 3.29Å; V592-Q595 PolarHBondContact O-N 3.02Å; V592-Q595 VanDerWaalsContact O-N 3.15Å; V592-L596 HydrophobicContact CG1-CD1 3.66Å; V592-L596 HydrophobicContact CG1-CG 4.23Å; V592-L596 WeakPolarHBondContact O-CB 3.49Å; V592-L596 WeakPolarHBondContact O-CG 3.13Å; V592-L596 PolarHBondContact O-N 2.96Å; V592-H630 HydrophobicContact CG2-CB 4.24Å; V592-H630 WeakPolarHBondContact CG2-CD2 3.39Å; V592-H630 VanDerWaalsContact CG2-CE1 3.45Å; V592-H630 WeakPolarHBondContact CG2-CE1 3Å; V592-H630 VanDerWaalsContact CG2-CG 3.45Å; V592-H630 VanDerWaalsContact CG2-NE2 3.28Å; V592-H630 WeakPolarHBondContact CG2-NE2 3.08Å |
| 593 | M | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -68 | -38.4 | -177.5 | -67.5 | 176.8 | 72.8 | 0 | 0 | 112 | L371 I373 Y561 N562 V565 N589 V590 C591 Q595 L596 K597 | L371-M593 HydrophobicContact CD1-SD 4.22Å; L371-M593 HydrophobicContact CD2-SD 4.39Å; I373-M593 HydrophobicContact CD1-CG 3.91Å; I373-M593 HydrophobicContact CG1-CG 3.98Å; I373-M593 HydrophobicContact CG2-CE 4.33Å; I373-M593 HydrophobicContact CG2-CG 4Å; Y561-M593 HydrophobicContact CD1-SD 4.22Å; Y561-M593 HydrophobicContact CG-SD 4.25Å; N562-M593 VanDerWaalsContact CA-CE 3.48Å; N562-M593 HydrophobicContact CB-CE 4.13Å; N562-M593 WeakPolarHBondContact OD1-CE 3.47Å; V565-M593 HydrophobicContact CB-CB 4.43Å; V565-M593 HydrophobicContact CB-CE 4.43Å; V565-M593 HydrophobicContact CG1-CB 4.02Å; V565-M593 HydrophobicContact CG2-CB 4.18Å; V565-M593 HydrophobicContact CG2-CE 4.42Å; V565-M593 HydrophobicContact CG2-SD 4.49Å; N589-M593 VanDerWaalsContact O-CG 3.26Å; N589-M593 WeakPolarHBondContact O-CG 3.28Å; N589-M593 PolarHBondContact O-N 2.8Å; V590-M593 PolarHBondContact O-N 2.77Å; V590-M593 VanDerWaalsContact O-N 3.09Å; C591-M593 VanDerWaalsContact C-N 3.35Å; C591-M593 PolarHBondContact O-N 2.89Å; M593-Q595 PolarHBondContact O-N 2.71Å; M593-L596 PolarHBondContact O-N 3.28Å; M593-K597 HydrophobicContact CB-CD 4.31Å; M593-K597 VanDerWaalsContact CE-CE 3.45Å; M593-K597 VanDerWaalsContact O-CB 3.24Å; M593-K597 WeakPolarHBondContact O-CB 3.37Å; M593-K597 WeakPolarHBondContact O-CG 3.46Å; M593-K597 PolarHBondContact O-N 3.17Å |
| 594 | L | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -61.1 | -33 | 172.1 | -67 | 169.6 | 0 | 0 | 0 | 111.7 | V542 V565 L569 L583 V590 C591 Q598 V603 | V542-L594 HydrophobicContact CB-CD1 4.49Å; V542-L594 HydrophobicContact CG2-CD1 4.15Å; V542-L594 HydrophobicContact CG2-CD2 4.28Å; V565-L594 HydrophobicContact CG1-CD2 3.93Å; V565-L594 HydrophobicContact CG1-CG 4.42Å; L569-L594 HydrophobicContact CD1-CD2 4.28Å; L569-L594 HydrophobicContact CD2-CD2 3.74Å; L569-L594 HydrophobicContact CG-CD2 3.95Å; L583-L594 HydrophobicContact CB-CD1 4.25Å; L583-L594 HydrophobicContact CD1-CB 4.42Å; L583-L594 HydrophobicContact CD1-CD2 4.25Å; V590-L594 HydrophobicContact CG1-CD1 3.81Å; V590-L594 HydrophobicContact CG1-CG 4.07Å; V590-L594 WeakPolarHBondContact O-CB 3.45Å; V590-L594 VanDerWaalsContact O-CG 3.25Å; V590-L594 WeakPolarHBondContact O-CG 3.48Å; V590-L594 PolarHBondContact O-N 2.96Å; C591-L594 PolarHBondContact O-N 2.78Å; L594-Q598 VanDerWaalsContact O-CG 3.29Å; L594-Q598 WeakPolarHBondContact O-CG 3.24Å; L594-Q598 PolarHBondContact O-NE2 3.16Å; L594-V603 HydrophobicContact CB-CG1 4.25Å; L594-V603 HydrophobicContact CB-CG2 3.71Å; L594-V603 HydrophobicContact CD1-CG1 4.46Å |
| 595 | Q | 97.7 | Very high | 97.7 | Very high | 13 Ų | 13 | 7.9 Ų | 7.9 | 6% | 0.061 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -79 | -38.5 | 176.5 | -173.2 | 63.3 | 10.3 | 0 | 0 | 112.9 | C591 V592 M593 V603 H630 L632 | C591-Q595 PolarHBondContact O-N 3.13Å; V592-Q595 PolarHBondContact O-N 3.02Å; V592-Q595 VanDerWaalsContact O-N 3.15Å; M593-Q595 PolarHBondContact O-N 2.71Å; Q595-V603 HydrophobicContact CB-CG2 4.31Å; Q595-H630 WeakPolarHBondContact CG-O 3.43Å; Q595-L632 HydrophobicContact CB-CD2 3.91Å; Q595-L632 HydrophobicContact CG-CD2 4.14Å |
| 596 | L | 97.3 | Very high | 97.6 | Very high | 14 Ų | 14 | 8.2 Ų | 8.2 | 7% | 0.073 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -85.5 | -12.3 | -174.7 | -70.2 | -178.8 | 0 | 0 | 0 | 114.3 | W163 L164 E169 I373 V592 M593 | W163-L596 WeakPolarHBondContact CB-O 3.24Å; L164-L596 HydrophobicContact CD1-CB 4.14Å; L164-L596 HydrophobicContact CG-CB 4.19Å; L164-L596 PolarHBondContact N-O 2.94Å; E169-L596 WeakPolarHBondContact OE1-CD1 3.43Å; I373-L596 HydrophobicContact CD1-CD1 3.79Å; V592-L596 HydrophobicContact CG1-CD1 3.66Å; V592-L596 HydrophobicContact CG1-CG 4.23Å; V592-L596 WeakPolarHBondContact O-CB 3.49Å; V592-L596 WeakPolarHBondContact O-CG 3.13Å; V592-L596 PolarHBondContact O-N 2.96Å; M593-L596 PolarHBondContact O-N 3.28Å |
| 597 | K | 97.4 | Very high | 97.4 | Very high | 6 Ų | 6 | 7.1 Ų | 7.1 | 3% | 0.026 | 4% | 0.036 | C | C | . | . | S | Bend | trans | -104.8 | -2.8 | -176.9 | -69.8 | 171.5 | 174.4 | -82.4 | 0 | 114.6 | Y374 M376 N562 V565 D566 L569 M593 | Y374-K597 WeakPolarHBondContact O-CE 3.23Å; Y374-K597 PolarHBondContact O-NZ 3.19Å; M376-K597 HydrophobicContact CE-CB 4.15Å; M376-K597 WeakPolarHBondContact CE-O 2.98Å; N562-K597 PolarHBondContact OD1-NZ 3.5Å; V565-K597 HydrophobicContact CG1-CD 3.91Å; D566-K597 VanDerWaalsContact OD1-CD 3.29Å; D566-K597 WeakPolarHBondContact OD1-CD 3.49Å; D566-K597 VanDerWaalsContact OD1-CE 3.32Å; D566-K597 WeakPolarHBondContact OD1-CE 3.43Å; D566-K597 IonicContact OD1-NZ 3.99Å; D566-K597 PolarHBondContact OD1-NZ 3.08Å; D566-K597 IonicContact OD2-NZ 2.7Å; L569-K597 HydrophobicContact CD1-CB 3.65Å; L569-K597 HydrophobicContact CD1-CD 4.47Å; M593-K597 HydrophobicContact CB-CD 4.31Å; M593-K597 VanDerWaalsContact CE-CE 3.45Å; M593-K597 VanDerWaalsContact O-CB 3.24Å; M593-K597 WeakPolarHBondContact O-CB 3.37Å; M593-K597 WeakPolarHBondContact O-CG 3.46Å; M593-K597 PolarHBondContact O-N 3.17Å |
| 598 | Q | 95.9 | Very high | 97 | Very high | 2 Ų | 2 | 7.1 Ų | 7.1 | 1% | 0.009 | 4% | 0.036 | C | C | . | . | trans | -153.8 | 165.9 | 178.3 | 62.5 | 77 | 46 | 0 | 0 | 112.2 | L569 L573 L594 Y601 | L569-Q598 HydrophobicContact CD1-CG 4.24Å; L569-Q598 HydrophobicContact CD2-CG 3.99Å; L573-Q598 HydrophobicContact CD1-CB 4.27Å; L594-Q598 VanDerWaalsContact O-CG 3.29Å; L594-Q598 WeakPolarHBondContact O-CG 3.24Å; L594-Q598 PolarHBondContact O-NE2 3.16Å; Q598-Y601 PolarHBondContact NE2-O 3.14Å | ||
| 599 | Q | 95 | Very high | 96.5 | Very high | 19 Ų | 19 | 7.3 Ų | 7.3 | 9% | 0.089 | 4% | 0.037 | C | C | . | . | S | Bend | trans | -121.5 | -0.4 | -171.6 | 76.9 | -73.6 | 3.1 | 0 | 0 | 115.2 | W113 W163 S383 T387 | W113-Q599 HydrophobicContact CZ2-CB 4.04Å; W113-Q599 HydrophobicContact CZ2-CG 4.5Å; W163-Q599 HydrophobicContact CD2-CB 3.93Å; W163-Q599 HydrophobicContact CE3-CB 3.53Å; W163-Q599 HydrophobicContact CE3-CG 4.27Å; W163-Q599 HydrophobicContact CH2-CB 4.27Å; W163-Q599 HydrophobicContact CH2-CG 4.1Å; W163-Q599 HydrophobicContact CZ2-CG 4.39Å; W163-Q599 HydrophobicContact CZ3-CB 3.72Å; W163-Q599 HydrophobicContact CZ3-CG 4.03Å; S383-Q599 PolarHBondContact O-NE2 3.43Å; T387-Q599 VanDerWaalsContact CB-O 3.26Å; T387-Q599 WeakPolarHBondContact CB-O 3.24Å; T387-Q599 PolarHBondContact OG1-O 3.28Å |
| 600 | I | 96.5 | Very high | 95.8 | Very high | 37 Ų | 37 | 7.9 Ų | 7.9 | 19% | 0.19 | 4% | 0.043 | C | C | . | . | S | Bend | trans | -99.2 | -58.4 | -168.3 | -55.9 | -178.2 | 0 | 0 | 0 | 111.7 | Y388 L573 | Y388-I600 WeakPolarHBondContact CB-O 3.42Å; Y388-I600 HydrophobicContact CD2-CG2 4.03Å; Y388-I600 HydrophobicContact CE2-CG2 4.22Å; Y388-I600 PolarHBondContact N-O 3.01Å; L573-I600 HydrophobicContact CD2-CD1 3.84Å; L573-I600 HydrophobicContact CD2-CG1 4.47Å |
| 601 | Y | 97.8 | Very high | 95.4 | Very high | 7 Ų | 7 | 12.2 Ų | 12.2 | 3% | 0.027 | 6% | 0.063 | C | C | . | . | S | Bend | trans | -96.4 | 135.5 | -166.9 | -58.6 | -62.9 | 0 | 0 | 0 | 111.8 | Y388 Q389 I572 L573 A576 I581 Q598 | Y388-Y601 HydrophobicContact CD2-CD1 4.4Å; Q389-Y601 PolarHBondContact NE2-O 2.71Å; I572-Y601 HydrophobicContact CG2-CD2 4.03Å; I572-Y601 HydrophobicContact CG2-CE2 3.63Å; L573-Y601 HydrophobicContact CD2-CD2 4.45Å; L573-Y601 HydrophobicContact CD2-CE2 4.09Å; A576-Y601 VanDerWaalsContact CB-OH 3.28Å; A576-Y601 WeakPolarHBondContact CB-OH 3.28Å; I581-Y601 HydrophobicContact CB-CD1 3.59Å; I581-Y601 HydrophobicContact CB-CE1 3.73Å; I581-Y601 HydrophobicContact CB-CG 4.09Å; I581-Y601 HydrophobicContact CD1-CE1 4.1Å; I581-Y601 HydrophobicContact CD1-CE2 4.37Å; I581-Y601 HydrophobicContact CG1-CD1 4.4Å; I581-Y601 HydrophobicContact CG1-CE1 4.03Å; I581-Y601 HydrophobicContact CG2-CD1 4.4Å; I581-Y601 HydrophobicContact CG2-CG 4.43Å; Q598-Y601 PolarHBondContact NE2-O 3.14Å |
| 602 | P | 98 | Very high | 95.1 | Very high | 2 Ų | 2 | 13.3 Ų | 13.3 | 1% | 0.013 | 7% | 0.067 | C | C | . | . | trans | -70.1 | 151.5 | 173.9 | 31 | -37.4 | 0 | 0 | 0 | 110.9 | L582 L583 F604 L633 | L582-P602 HydrophobicContact CD2-CG 3.58Å; L583-P602 PolarHBondContact N-O 2.66Å; P602-F604 HydrophobicContact CB-CE2 4.29Å; P602-F604 HydrophobicContact CG-CE2 4.38Å; P602-L633 HydrophobicContact CB-CB 3.56Å; P602-L633 HydrophobicContact CB-CD2 3.37Å; P602-L633 HydrophobicContact CB-CG 4.09Å; P602-L633 HydrophobicContact CG-CD2 3.77Å | ||
| 603 | V | 98.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 142.2 | 178.2 | -178.3 | 0 | 0 | 0 | 0 | 109.9 | L583 C591 L594 Q595 L632 L633 | L583-V603 HydrophobicContact CB-CG2 4.29Å; L583-V603 HydrophobicContact CD1-CG2 4.39Å; L583-V603 CarbonylContact O-C 3.48Å; L583-V603 VanDerWaalsContact O-CA 3.32Å; L583-V603 WeakPolarHBondContact O-CA 3.36Å; C591-V603 HydrophobicContact CB-CG1 4.02Å; L594-V603 HydrophobicContact CB-CG1 4.25Å; L594-V603 HydrophobicContact CB-CG2 3.71Å; L594-V603 HydrophobicContact CD1-CG1 4.46Å; Q595-V603 HydrophobicContact CB-CG2 4.31Å; V603-L632 HydrophobicContact CB-CD2 3.95Å; V603-L632 HydrophobicContact CG1-CD1 4.46Å; V603-L632 HydrophobicContact CG1-CD2 4.01Å; V603-L632 WeakPolarHBondContact O-CB 3.4Å; V603-L633 PolarHBondContact O-N 2.9Å |
| 604 | F | 98.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 134.3 | 176.6 | -74.8 | -111.7 | 0 | 0 | 0 | 110 | W392 L582 L583 S584 C585 P602 L633 G634 V658 L660 | W392-F604 HydrophobicContact CZ3-CZ 4.45Å; L582-F604 HydrophobicContact CB-CD2 4.13Å; L582-F604 HydrophobicContact CB-CE2 4.16Å; L582-F604 HydrophobicContact CD1-CE2 4.05Å; L582-F604 HydrophobicContact CD1-CZ 4.24Å; L582-F604 HydrophobicContact CD2-CE2 3.99Å; L582-F604 HydrophobicContact CG-CE2 4.28Å; L583-F604 PolarHBondContact O-N 3.03Å; S584-F604 WeakPolarHBondContact CA-O 3.37Å; C585-F604 PolarHBondContact N-O 3.02Å; P602-F604 HydrophobicContact CB-CE2 4.29Å; P602-F604 HydrophobicContact CG-CE2 4.38Å; F604-L633 HydrophobicContact CE2-CB 4.17Å; F604-L633 HydrophobicContact CE2-CD2 4.01Å; F604-L633 HydrophobicContact CE2-CG 4.26Å; F604-L633 HydrophobicContact CZ-CB 4.41Å; F604-L633 HydrophobicContact CZ-CD2 4.08Å; F604-L633 HydrophobicContact CZ-CG 4.15Å; F604-G634 VanDerWaalsContact CA-O 3.32Å; F604-G634 WeakPolarHBondContact CA-O 3.35Å; F604-G634 VanDerWaalsContact CD1-C 3.41Å; F604-V658 HydrophobicContact CE1-CB 3.78Å; F604-V658 HydrophobicContact CE1-CG1 3.72Å; F604-V658 HydrophobicContact CZ-CB 3.89Å; F604-V658 HydrophobicContact CZ-CG1 3.84Å; F604-L660 HydrophobicContact CD1-CD1 3.88Å; F604-L660 HydrophobicContact CD1-CG 3.98Å; F604-L660 HydrophobicContact CE1-CD1 3.92Å; F604-L660 HydrophobicContact CE1-CD2 4.43Å; F604-L660 HydrophobicContact CE1-CG 3.79Å; F604-L660 HydrophobicContact CG-CD1 4.46Å |
| 605 | Q | 98.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 123.1 | 174.1 | -165.8 | 177 | -27.6 | 0 | 0 | 110 | R616 L623 S626 L632 G634 V635 C636 | Q605-R616 PolarHBondContact NE2-O 3.3Å; Q605-L623 HydrophobicContact CB-CD1 4.13Å; Q605-L623 HydrophobicContact CG-CD1 3.66Å; Q605-S626 PolarHBondContact NE2-OG 3.16Å; Q605-S626 PolarHBondContact OE1-OG 2.8Å; Q605-L632 HydrophobicContact CB-CD1 3.91Å; Q605-G634 PolarHBondContact N-O 3.48Å; Q605-V635 CarbonylContact O-C 3.59Å; Q605-V635 WeakPolarHBondContact O-CA 3.37Å; Q605-C636 PolarHBondContact O-N 2.8Å |
| 606 | L | 97.5 | Very high | 94.1 | Very high | 8 Ų | 8 | 17 Ų | 17 | 4% | 0.042 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 144.3 | 171.9 | -66.7 | 104.3 | 0 | 0 | 0 | 110.2 | E541 S584 C585 F586 C636 | E541-L606 HydrophobicContact CG-CD1 4.23Å; E541-L606 WeakPolarHBondContact OE2-CD2 3.5Å; S584-L606 VanDerWaalsContact CB-CD1 3.49Å; C585-L606 VanDerWaalsContact CA-CD1 3.47Å; C585-L606 WeakPolarHBondContact O-CD1 3.19Å; C585-L606 PolarHBondContact O-N 3.47Å; F586-L606 HydrophobicContact CD1-CB 3.72Å; F586-L606 HydrophobicContact CD2-CB 3.96Å; F586-L606 HydrophobicContact CD2-CD1 4.35Å; F586-L606 HydrophobicContact CD2-CD2 4.23Å; F586-L606 HydrophobicContact CD2-CG 4.4Å; F586-L606 HydrophobicContact CE1-CB 3.76Å; F586-L606 HydrophobicContact CE2-CB 3.99Å; F586-L606 HydrophobicContact CE2-CD2 3.69Å; F586-L606 HydrophobicContact CE2-CG 4.29Å; F586-L606 HydrophobicContact CG-CB 3.83Å; F586-L606 HydrophobicContact CZ-CB 3.89Å; F586-L606 HydrophobicContact CZ-CD2 3.93Å; L606-C636 HydrophobicContact CB-CB 4.36Å; L606-C636 HydrophobicContact CD2-CB 4.06Å; L606-C636 HydrophobicContact CG-CB 3.78Å |
| 607 | G | 93 | Very high | 93.7 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179 | -169.8 | 176 | 0 | 0 | 0 | 0 | 0 | 119 | C636 | G607-C636 PolarHBondContact N-O 2.87Å |
| 608 | I | 88.5 | Confident | 93.3 | Very high | 9 Ų | 9 | 17.8 Ų | 17.8 | 5% | 0.046 | 10% | 0.102 | C | C | . | . | trans | 68.9 | 52.3 | -154.5 | -31.6 | 177.1 | 0 | 0 | 0 | 113.9 | P610 H617 F620 R641 | I608-P610 WeakPolarHBondContact O-CD 3.35Å; I608-H617 VanDerWaalsContact CA-O 3.3Å; I608-H617 WeakPolarHBondContact CA-O 3.32Å; I608-H617 PolarHBondContact N-O 2.97Å; I608-H617 VanDerWaalsContact N-O 3.16Å; I608-F620 HydrophobicContact CD1-CB 4.33Å; I608-F620 HydrophobicContact CD1-CD1 3.23Å; I608-F620 HydrophobicContact CD1-CD2 3.54Å; I608-F620 HydrophobicContact CD1-CE1 3.16Å; I608-F620 HydrophobicContact CD1-CE2 3.47Å; I608-F620 VanDerWaalsContact CD1-CE2 3.47Å; I608-F620 HydrophobicContact CD1-CG 3.4Å; I608-F620 VanDerWaalsContact CD1-CG 3.4Å; I608-F620 HydrophobicContact CD1-CZ 3.27Å; I608-F620 HydrophobicContact CG1-CD1 4.47Å; I608-R641 VanDerWaalsContact CG2-CD 3.48Å; I608-R641 PolarHBondContact O-NE 3.3Å | ||
| 609 | S | 85.6 | Confident | 93.2 | Very high | 4 Ų | 4 | 20.8 Ų | 20.8 | 3% | 0.028 | 12% | 0.118 | C | C | . | . | trans | -103.7 | 86.3 | 169.2 | -69.7 | 0 | 0 | 0 | 0 | 110 | F586 E611 Y612 H617 | F586-S609 WeakPolarHBondContact CE1-OG 3.47Å; S609-E611 VanDerWaalsContact C-OE2 3.25Å; S609-E611 WeakPolarHBondContact CA-OE2 3.45Å; S609-E611 VanDerWaalsContact CB-OE1 3.27Å; S609-E611 WeakPolarHBondContact CB-OE1 3.43Å; S609-E611 PolarHBondContact O-N 3.44Å; S609-E611 VanDerWaalsContact O-N 3.13Å; S609-E611 PolarHBondContact OG-OE1 3.2Å; S609-Y612 PolarHBondContact O-N 2.98Å; S609-H617 PolarHBondContact O-CE1 3.42Å; S609-H617 PolarHBondContact O-ND1 3.36Å | ||
| 610 | P | 83.3 | Confident | 93.2 | Very high | 43 Ų | 43 | 21 Ų | 21 | 28% | 0.279 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -7.1 | -177.7 | 30.2 | -38.3 | 0 | 0 | 0 | 114.1 | K549 I608 | K549-P610 WeakPolarHBondContact CD-O 3.35Å; K549-P610 WeakPolarHBondContact CE-O 2.91Å; K549-P610 PolarHBondContact NZ-O 3.01Å; I608-P610 WeakPolarHBondContact O-CD 3.35Å |
| 611 | E | 89.6 | Confident | 93.1 | Very high | 90 Ų | 90 | 24.1 Ų | 24.1 | 42% | 0.421 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -30.4 | 174.7 | 57.6 | -83.8 | -166.9 | 0 | 0 | 113.2 | L548 K549 S609 | L548-E611 HydrophobicContact CD2-CB 4.46Å; K549-E611 PolarHBondContact N-O 2.94Å; S609-E611 VanDerWaalsContact C-OE2 3.25Å; S609-E611 WeakPolarHBondContact CA-OE2 3.45Å; S609-E611 VanDerWaalsContact CB-OE1 3.27Å; S609-E611 WeakPolarHBondContact CB-OE1 3.43Å; S609-E611 PolarHBondContact O-N 3.44Å; S609-E611 VanDerWaalsContact O-N 3.13Å; S609-E611 PolarHBondContact OG-OE1 3.2Å |
| 612 | Y | 93.7 | Very high | 92.9 | Very high | 25 Ų | 25 | 24.7 Ų | 24.7 | 10% | 0.098 | 14% | 0.137 | C | C | . | . | B | Isolated β-bridge | trans | -81 | 152.9 | 177.8 | -38.1 | -59.2 | 0 | 0 | 0 | 112 | M546 E547 L548 F586 S609 H617 | M546-Y612 HydrophobicContact CB-CD1 3.34Å; M546-Y612 HydrophobicContact CB-CD2 4.2Å; M546-Y612 HydrophobicContact CB-CE1 3.57Å; M546-Y612 HydrophobicContact CB-CE2 4.39Å; M546-Y612 HydrophobicContact CB-CG 3.71Å; M546-Y612 HydrophobicContact CE-CD2 3.7Å; M546-Y612 HydrophobicContact CE-CE2 4.43Å; M546-Y612 HydrophobicContact CE-CG 3.89Å; M546-Y612 HydrophobicContact CG-CD1 4.02Å; M546-Y612 HydrophobicContact CG-CD2 4.03Å; M546-Y612 HydrophobicContact CG-CE1 4.01Å; M546-Y612 HydrophobicContact CG-CE2 4.01Å; M546-Y612 HydrophobicContact CG-CG 4.07Å; E547-Y612 CarbonylContact O-C 3.55Å; E547-Y612 WeakPolarHBondContact O-CA 3.44Å; E547-Y612 WeakPolarHBondContact O-CB 3.45Å; L548-Y612 HydrophobicContact CD2-CD1 3.79Å; L548-Y612 HydrophobicContact CD2-CE1 4.12Å; F586-Y612 HydrophobicContact CB-CE2 4.45Å; F586-Y612 AromaticContact CD1-CE2 3.84Å; F586-Y612 HydrophobicContact CD1-CE2 3.84Å; F586-Y612 HydrophobicContact CE1-CE2 4.39Å; F586-Y612 HydrophobicContact CG-CE2 4.28Å; S609-Y612 PolarHBondContact O-N 2.98Å; Y612-H617 VanDerWaalsContact CB-CE1 3.43Å; Y612-H617 WeakPolarHBondContact CB-CE1 3.24Å; Y612-H617 AromaticContact CD2-CE1 3.39Å; Y612-H617 WeakPolarHBondContact CD2-CE1 3.31Å; Y612-H617 AromaticContact CD2-NE2 3.92Å; Y612-H617 AromaticContact CG-CE1 3.85Å |
| 613 | A | 92.4 | Very high | 92.9 | Very high | 31 Ų | 31 | 24.6 Ų | 24.6 | 26% | 0.256 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -77.1 | -19.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | E547 T615 | E547-A613 HydrophobicContact CB-CB 4.37Å; E547-A613 HydrophobicContact CG-CB 4.13Å; E547-A613 WeakPolarHBondContact O-CB 3.29Å; E547-A613 PolarHBondContact O-N 2.77Å; A613-T615 PolarHBondContact O-N 2.86Å |
| 614 | D | 93 | Very high | 92.8 | Very high | 13 Ų | 13 | 24.6 Ų | 24.6 | 7% | 0.07 | 14% | 0.137 | C | C | . | . | trans | -78 | 120 | -176 | -163.6 | -40.7 | 0 | 0 | 0 | 111.8 | R173 R616 H617 | R173-D614 IonicContact CZ-OD1 3.07Å; R173-D614 VanDerWaalsContact CZ-OD1 3.23Å; R173-D614 IonicContact CZ-OD2 2.79Å; R173-D614 IonicContact NH1-OD1 2.66Å; R173-D614 PolarHBondContact NH1-OD1 3.33Å; R173-D614 IonicContact NH1-OD2 2.71Å; R173-D614 PolarHBondContact NH1-OD2 3.37Å; R173-D614 IonicContact NH2-OD1 2.76Å; R173-D614 PolarHBondContact NH2-OD1 3.39Å; D614-R616 PolarHBondContact O-N 2.66Å; D614-R616 WeakPolarHBondContact OD1-CB 3.42Å; D614-R616 PolarHBondContact OD1-N 3.07Å; D614-R616 IonicContact OD1-NE 2.7Å; D614-R616 PolarHBondContact OD1-NE 3.47Å; D614-R616 VanDerWaalsContact OD1-NE 3.17Å; D614-R616 IonicContact OD2-CZ 3.67Å; D614-R616 IonicContact OD2-NE 3.18Å; D614-R616 PolarHBondContact OD2-NE 3.45Å; D614-R616 IonicContact OD2-NH2 3.6Å; D614-R616 PolarHBondContact OD2-NH2 2.92Å; D614-H617 PolarHBondContact O-CD2 2.97Å; D614-H617 PolarHBondContact O-NE2 3.1Å | ||
| 615 | T | 91.6 | Very high | 92.7 | Very high | 37 Ų | 37 | 25.3 Ų | 25.3 | 23% | 0.227 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -68.3 | -17.9 | -177.2 | 46.5 | 0 | 0 | 0 | 0 | 114.1 | R173 D294 A613 H617 A618 S622 | R173-T615 PolarHBondContact NH2-OG1 2.9Å; D294-T615 PolarHBondContact OD2-OG1 2.82Å; A613-T615 PolarHBondContact O-N 2.86Å; T615-H617 PolarHBondContact O-N 3.31Å; T615-H617 VanDerWaalsContact O-N 3.08Å; T615-A618 WeakPolarHBondContact O-CB 3.45Å; T615-A618 PolarHBondContact O-N 3.36Å; T615-S622 WeakPolarHBondContact O-CB 3.19Å |
| 616 | R | 93.4 | Very high | 92.6 | Very high | 9 Ų | 9 | 25.3 Ų | 25.3 | 3% | 0.034 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -64.6 | -11.8 | -178.1 | -75.9 | 176.5 | -65 | 179.7 | 1.5 | 114.4 | L269 P588 N589 Q605 D614 S622 L623 | L269-R616 HydrophobicContact CD1-CG 3.96Å; L269-R616 HydrophobicContact CD2-CG 4.28Å; P588-R616 HydrophobicContact CB-CB 4.33Å; P588-R616 VanDerWaalsContact CB-CZ 3.48Å; P588-R616 HydrophobicContact CG-CB 3.9Å; N589-R616 PolarHBondContact OD1-NH1 2.81Å; N589-R616 VanDerWaalsContact OD1-NH1 3.12Å; N589-R616 PolarHBondContact OD1-NH2 2.91Å; Q605-R616 PolarHBondContact NE2-O 3.3Å; D614-R616 PolarHBondContact O-N 2.66Å; D614-R616 WeakPolarHBondContact OD1-CB 3.42Å; D614-R616 PolarHBondContact OD1-N 3.07Å; D614-R616 IonicContact OD1-NE 2.7Å; D614-R616 PolarHBondContact OD1-NE 3.47Å; D614-R616 VanDerWaalsContact OD1-NE 3.17Å; D614-R616 IonicContact OD2-CZ 3.67Å; D614-R616 IonicContact OD2-NE 3.18Å; D614-R616 PolarHBondContact OD2-NE 3.45Å; D614-R616 IonicContact OD2-NH2 3.6Å; D614-R616 PolarHBondContact OD2-NH2 2.92Å; R616-S622 CarbonylContact O-C 3.59Å; R616-L623 VanDerWaalsContact O-CA 3.23Å; R616-L623 WeakPolarHBondContact O-CA 3.37Å; R616-L623 PolarHBondContact O-N 2.91Å |
| 617 | H | 90.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -132.6 | 18.4 | 178.4 | 67.6 | 79.9 | 0 | 0 | 0 | 112.3 | M546 I608 S609 Y612 D614 T615 L623 | M546-H617 WeakPolarHBondContact CE-NE2 3.11Å; I608-H617 VanDerWaalsContact CA-O 3.3Å; I608-H617 WeakPolarHBondContact CA-O 3.32Å; I608-H617 PolarHBondContact N-O 2.97Å; I608-H617 VanDerWaalsContact N-O 3.16Å; S609-H617 PolarHBondContact O-CE1 3.42Å; S609-H617 PolarHBondContact O-ND1 3.36Å; Y612-H617 VanDerWaalsContact CB-CE1 3.43Å; Y612-H617 WeakPolarHBondContact CB-CE1 3.24Å; Y612-H617 AromaticContact CD2-CE1 3.39Å; Y612-H617 WeakPolarHBondContact CD2-CE1 3.31Å; Y612-H617 AromaticContact CD2-NE2 3.92Å; Y612-H617 AromaticContact CG-CE1 3.85Å; D614-H617 PolarHBondContact O-CD2 2.97Å; D614-H617 PolarHBondContact O-NE2 3.1Å; T615-H617 PolarHBondContact O-N 3.31Å; T615-H617 VanDerWaalsContact O-N 3.08Å; H617-L623 HydrophobicContact CB-CD1 3.8Å |
| 618 | A | 88.9 | Confident | 92.8 | Very high | 37 Ų | 37 | 25.7 Ų | 25.7 | 31% | 0.306 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -71.9 | -30.9 | -175 | 0 | 0 | 0 | 0 | 0 | 113.6 | T615 | T615-A618 WeakPolarHBondContact O-CB 3.45Å; T615-A618 PolarHBondContact O-N 3.36Å |
| 619 | D | 92.8 | Very high | 93.1 | Very high | 65 Ų | 65 | 25.6 Ų | 25.6 | 35% | 0.348 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -147.7 | 171.4 | 179.5 | 67.7 | 75.8 | 0 | 0 | 0 | 110.5 | Q621 S622 L623 | D619-Q621 PolarHBondContact O-N 2.89Å; D619-Q621 WeakPolarHBondContact OD1-CA 3.29Å; D619-Q621 WeakPolarHBondContact OD1-CB 3.25Å; D619-Q621 PolarHBondContact OD1-N 3.36Å; D619-S622 PolarHBondContact OD1-N 3.41Å; D619-S622 PolarHBondContact OD1-OG 2.78Å; D619-S622 WeakPolarHBondContact OD2-CB 3.46Å; D619-S622 PolarHBondContact OD2-OG 3.32Å; D619-L623 WeakPolarHBondContact O-CB 3.44Å; D619-L623 PolarHBondContact O-N 3.07Å; D619-L623 VanDerWaalsContact O-N 3.07Å |
| 620 | F | 95.4 | Very high | 93.5 | Very high | 22 Ų | 22 | 26.3 Ų | 26.3 | 10% | 0.096 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.2 | -46.3 | -177.8 | -68.3 | -85.2 | 0 | 0 | 0 | 113.2 | I608 L623 F624 L637 R641 L642 V645 I648 | I608-F620 HydrophobicContact CD1-CB 4.33Å; I608-F620 HydrophobicContact CD1-CD1 3.23Å; I608-F620 HydrophobicContact CD1-CD2 3.54Å; I608-F620 HydrophobicContact CD1-CE1 3.16Å; I608-F620 HydrophobicContact CD1-CE2 3.47Å; I608-F620 VanDerWaalsContact CD1-CE2 3.47Å; I608-F620 HydrophobicContact CD1-CG 3.4Å; I608-F620 VanDerWaalsContact CD1-CG 3.4Å; I608-F620 HydrophobicContact CD1-CZ 3.27Å; I608-F620 HydrophobicContact CG1-CD1 4.47Å; F620-L623 PolarHBondContact O-N 3.47Å; F620-F624 HydrophobicContact CB-CE2 4.33Å; F620-F624 HydrophobicContact CB-CZ 4.11Å; F620-F624 HydrophobicContact CD1-CE1 4.49Å; F620-F624 HydrophobicContact CD1-CZ 4.12Å; F620-F624 WeakPolarHBondContact O-CD1 3.41Å; F620-F624 WeakPolarHBondContact O-CG 3.36Å; F620-F624 PolarHBondContact O-N 3.08Å; F620-L637 HydrophobicContact CD1-CD1 4.03Å; F620-L637 HydrophobicContact CD1-CD2 4.4Å; F620-L637 HydrophobicContact CE1-CD1 3.99Å; F620-R641 HydrophobicContact CZ-CB 4.11Å; F620-L642 HydrophobicContact CE1-CD1 4.06Å; F620-V645 HydrophobicContact CD2-CG2 4.46Å; F620-V645 HydrophobicContact CE2-CB 4.15Å; F620-V645 HydrophobicContact CE2-CG2 3.69Å; F620-V645 HydrophobicContact CZ-CG2 4.32Å; F620-I648 HydrophobicContact CB-CD1 3.63Å; F620-I648 HydrophobicContact CB-CG1 3.77Å; F620-I648 HydrophobicContact CD1-CD1 4.27Å; F620-I648 HydrophobicContact CD1-CG1 3.41Å; F620-I648 VanDerWaalsContact CD1-CG1 3.41Å; F620-I648 HydrophobicContact CD1-CG2 4.4Å; F620-I648 HydrophobicContact CD2-CD1 4.39Å; F620-I648 HydrophobicContact CD2-CG1 4.02Å; F620-I648 HydrophobicContact CE1-CG1 3.95Å; F620-I648 HydrophobicContact CE1-CG2 4.13Å; F620-I648 HydrophobicContact CE2-CG1 4.49Å; F620-I648 HydrophobicContact CG-CD1 3.88Å; F620-I648 HydrophobicContact CG-CG1 3.47Å; F620-I648 VanDerWaalsContact CG-CG1 3.47Å; F620-I648 HydrophobicContact CZ-CG1 4.46Å; F620-I648 HydrophobicContact CZ-CG2 4.48Å |
| 621 | Q | 94.7 | Very high | 94.1 | Very high | 104 Ų | 104 | 26 Ų | 26 | 49% | 0.486 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -68.7 | -49.2 | -174.8 | -75.5 | -174.2 | -30.3 | 0 | 0 | 110.3 | D619 L623 F624 W625 L651 | D619-Q621 PolarHBondContact O-N 2.89Å; D619-Q621 WeakPolarHBondContact OD1-CA 3.29Å; D619-Q621 WeakPolarHBondContact OD1-CB 3.25Å; D619-Q621 PolarHBondContact OD1-N 3.36Å; Q621-L623 PolarHBondContact O-N 2.87Å; Q621-F624 PolarHBondContact O-N 3.11Å; Q621-F624 VanDerWaalsContact O-N 3.1Å; Q621-W625 VanDerWaalsContact C-CD1 3.49Å; Q621-W625 HydrophobicContact CB-CZ2 4.29Å; Q621-W625 HydrophobicContact CG-CZ2 4.23Å; Q621-W625 PolarHBondContact O-N 3.36Å; Q621-W625 PolarHBondContact O-NE1 3.02Å; Q621-L651 HydrophobicContact CG-CD2 4.36Å |
| 622 | S | 93.8 | Very high | 94.5 | Very high | 19 Ų | 19 | 22.2 Ų | 22.2 | 13% | 0.133 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -54.2 | -41.7 | 175.3 | -63.2 | 0 | 0 | 0 | 0 | 111.9 | T615 R616 D619 S626 | T615-S622 WeakPolarHBondContact O-CB 3.19Å; R616-S622 CarbonylContact O-C 3.59Å; D619-S622 PolarHBondContact OD1-N 3.41Å; D619-S622 PolarHBondContact OD1-OG 2.78Å; D619-S622 WeakPolarHBondContact OD2-CB 3.46Å; D619-S622 PolarHBondContact OD2-OG 3.32Å; S622-S626 VanDerWaalsContact O-CB 3.28Å; S622-S626 WeakPolarHBondContact O-CB 3.12Å; S622-S626 PolarHBondContact O-N 3.13Å |
| 623 | L | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.1 | -45.3 | 176 | -173.3 | 71.1 | 0 | 0 | 0 | 112.6 | Q605 R616 H617 D619 F620 Q621 S626 A627 V635 L637 | Q605-L623 HydrophobicContact CB-CD1 4.13Å; Q605-L623 HydrophobicContact CG-CD1 3.66Å; R616-L623 VanDerWaalsContact O-CA 3.23Å; R616-L623 WeakPolarHBondContact O-CA 3.37Å; R616-L623 PolarHBondContact O-N 2.91Å; H617-L623 HydrophobicContact CB-CD1 3.8Å; D619-L623 WeakPolarHBondContact O-CB 3.44Å; D619-L623 PolarHBondContact O-N 3.07Å; D619-L623 VanDerWaalsContact O-N 3.07Å; F620-L623 PolarHBondContact O-N 3.47Å; Q621-L623 PolarHBondContact O-N 2.87Å; L623-S626 PolarHBondContact O-N 3.34Å; L623-A627 WeakPolarHBondContact O-CB 3.08Å; L623-A627 PolarHBondContact O-N 3.04Å; L623-V635 HydrophobicContact CD2-CB 4.17Å; L623-V635 HydrophobicContact CD2-CG1 4.24Å; L623-V635 HydrophobicContact CG-CB 4.5Å; L623-V635 HydrophobicContact CG-CG1 4.03Å; L623-L637 HydrophobicContact CD2-CD2 3.28Å |
| 624 | F | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64 | -43.6 | 178.4 | -61.7 | -8.6 | 0 | 0 | 0 | 111.4 | F620 Q621 A627 L628 V635 L637 I648 L651 A652 L657 | F620-F624 HydrophobicContact CB-CE2 4.33Å; F620-F624 HydrophobicContact CB-CZ 4.11Å; F620-F624 HydrophobicContact CD1-CE1 4.49Å; F620-F624 HydrophobicContact CD1-CZ 4.12Å; F620-F624 WeakPolarHBondContact O-CD1 3.41Å; F620-F624 WeakPolarHBondContact O-CG 3.36Å; F620-F624 PolarHBondContact O-N 3.08Å; Q621-F624 PolarHBondContact O-N 3.11Å; Q621-F624 VanDerWaalsContact O-N 3.1Å; F624-A627 PolarHBondContact O-N 2.67Å; F624-L628 WeakPolarHBondContact O-CB 3.39Å; F624-L628 VanDerWaalsContact O-CG 3.28Å; F624-L628 WeakPolarHBondContact O-CG 3.45Å; F624-L628 PolarHBondContact O-N 3.04Å; F624-V635 HydrophobicContact CD1-CG1 4.27Å; F624-V635 HydrophobicContact CD1-CG2 4.09Å; F624-V635 HydrophobicContact CE1-CG2 3.84Å; F624-L637 HydrophobicContact CE1-CD1 4.03Å; F624-L637 HydrophobicContact CE1-CD2 4.19Å; F624-L637 HydrophobicContact CZ-CD1 4.23Å; F624-I648 HydrophobicContact CE2-CD1 3.88Å; F624-I648 HydrophobicContact CE2-CG1 4.14Å; F624-I648 HydrophobicContact CZ-CD1 4.28Å; F624-I648 HydrophobicContact CZ-CG1 4.06Å; F624-L651 HydrophobicContact CD2-CD2 4.41Å; F624-L651 HydrophobicContact CD2-CG 4.5Å; F624-L651 HydrophobicContact CE2-CD2 4.32Å; F624-L651 HydrophobicContact CE2-CG 4.41Å; F624-A652 HydrophobicContact CD2-CB 4.41Å; F624-A652 HydrophobicContact CE1-CB 4.21Å; F624-A652 HydrophobicContact CE2-CB 3.83Å; F624-A652 HydrophobicContact CZ-CB 3.72Å; F624-L657 HydrophobicContact CB-CD1 3.71Å; F624-L657 HydrophobicContact CD1-CD1 4.01Å; F624-L657 HydrophobicContact CG-CD1 3.88Å |
| 625 | W | 96.4 | Very high | 95.2 | Very high | 14 Ų | 14 | 19.8 Ų | 19.8 | 5% | 0.053 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -66.1 | -39.7 | 178.4 | -52.7 | 147.2 | 0 | 0 | 0 | 111.6 | L269 I271 C274 Q621 L628 S629 H655 | L269-W625 HydrophobicContact CD2-CB 4.13Å; I271-W625 HydrophobicContact CB-CD2 4.36Å; I271-W625 HydrophobicContact CB-CE3 4.35Å; I271-W625 HydrophobicContact CB-CH2 3.89Å; I271-W625 HydrophobicContact CB-CZ2 3.79Å; I271-W625 HydrophobicContact CB-CZ3 4.17Å; I271-W625 HydrophobicContact CD1-CE3 3.84Å; I271-W625 HydrophobicContact CD1-CH2 3.51Å; I271-W625 HydrophobicContact CD1-CZ2 4.31Å; I271-W625 HydrophobicContact CD1-CZ3 3.23Å; I271-W625 HydrophobicContact CG1-CH2 4.04Å; I271-W625 HydrophobicContact CG1-CZ2 4.43Å; I271-W625 HydrophobicContact CG1-CZ3 4.18Å; C274-W625 HydrophobicContact CB-CB 3.67Å; C274-W625 HydrophobicContact CB-CG 4.24Å; Q621-W625 VanDerWaalsContact C-CD1 3.49Å; Q621-W625 HydrophobicContact CB-CZ2 4.29Å; Q621-W625 HydrophobicContact CG-CZ2 4.23Å; Q621-W625 PolarHBondContact O-N 3.36Å; Q621-W625 PolarHBondContact O-NE1 3.02Å; W625-L628 HydrophobicContact CE3-CD1 3.74Å; W625-L628 HydrophobicContact CZ3-CD1 3.78Å; W625-L628 PolarHBondContact O-N 2.72Å; W625-S629 WeakPolarHBondContact O-CB 3.37Å; W625-S629 PolarHBondContact O-N 3.04Å; W625-H655 AromaticContact CH2-CE1 3.92Å |
| 626 | S | 96.5 | Very high | 95.5 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.007 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58.7 | -49 | 171.9 | 179.5 | 0 | 0 | 0 | 0 | 111.5 | Q605 S622 L623 L628 S629 H630 | Q605-S626 PolarHBondContact NE2-OG 3.16Å; Q605-S626 PolarHBondContact OE1-OG 2.8Å; S622-S626 VanDerWaalsContact O-CB 3.28Å; S622-S626 WeakPolarHBondContact O-CB 3.12Å; S622-S626 PolarHBondContact O-N 3.13Å; L623-S626 PolarHBondContact O-N 3.34Å; S626-L628 PolarHBondContact O-N 2.92Å; S626-S629 WeakPolarHBondContact O-CB 3.45Å; S626-S629 PolarHBondContact O-N 2.82Å; S626-H630 PolarHBondContact O-CD2 2.92Å; S626-H630 VanDerWaalsContact O-CD2 3.31Å; S626-H630 PolarHBondContact O-N 2.94Å |
| 627 | A | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.7 | -44.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L623 F624 S629 H630 Q631 L632 V635 L657 | L623-A627 WeakPolarHBondContact O-CB 3.08Å; L623-A627 PolarHBondContact O-N 3.04Å; F624-A627 PolarHBondContact O-N 2.67Å; A627-S629 PolarHBondContact O-N 3.31Å; A627-H630 CarbonylContact O-C 3.44Å; A627-H630 PolarHBondContact O-N 3.16Å; A627-Q631 PolarHBondContact O-N 3.31Å; A627-Q631 VanDerWaalsContact O-N 3.16Å; A627-L632 HydrophobicContact CB-CB 4.13Å; A627-L632 HydrophobicContact CB-CD1 4.13Å; A627-L632 HydrophobicContact CB-CG 4.38Å; A627-L632 WeakPolarHBondContact O-CG 3.09Å; A627-L632 PolarHBondContact O-N 2.92Å; A627-V635 HydrophobicContact CB-CG1 3.82Å; A627-L657 HydrophobicContact CB-CD2 4.13Å |
| 628 | L | 96.1 | Very high | 95.9 | Very high | 17 Ų | 17 | 19.5 Ų | 19.5 | 9% | 0.089 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -68.1 | -33.9 | 178.3 | -70.1 | 167 | 0 | 0 | 0 | 112.7 | F624 W625 S626 H630 Q631 H655 L657 | F624-L628 WeakPolarHBondContact O-CB 3.39Å; F624-L628 VanDerWaalsContact O-CG 3.28Å; F624-L628 WeakPolarHBondContact O-CG 3.45Å; F624-L628 PolarHBondContact O-N 3.04Å; W625-L628 HydrophobicContact CE3-CD1 3.74Å; W625-L628 HydrophobicContact CZ3-CD1 3.78Å; W625-L628 PolarHBondContact O-N 2.72Å; S626-L628 PolarHBondContact O-N 2.92Å; L628-H630 PolarHBondContact O-N 2.94Å; L628-Q631 PolarHBondContact O-N 3.45Å; L628-H655 HydrophobicContact CD1-CB 3.85Å; L628-H655 HydrophobicContact CD2-CB 4.48Å; L628-L657 HydrophobicContact CD1-CD1 4.4Å; L628-L657 HydrophobicContact CD2-CD2 3.97Å; L628-L657 HydrophobicContact CD2-CG 4.17Å; L628-L657 HydrophobicContact CG-CD1 4.25Å; L628-L657 HydrophobicContact CG-CD2 4.21Å; L628-L657 HydrophobicContact CG-CG 4.34Å |
| 629 | S | 94.7 | Very high | 96.1 | Very high | 6 Ų | 6 | 17.7 Ų | 17.7 | 4% | 0.042 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -55.7 | -36.4 | 175.8 | -154.6 | 0 | 0 | 0 | 0 | 112.4 | S267 C274 W625 S626 A627 | S267-S629 VanDerWaalsContact CB-OG 3.24Å; S267-S629 WeakPolarHBondContact CB-OG 3.36Å; S267-S629 PolarHBondContact OG-OG 3.15Å; C274-S629 WeakPolarHBondContact O-CA 3.22Å; C274-S629 WeakPolarHBondContact O-CB 3.4Å; C274-S629 PolarHBondContact O-OG 3.44Å; W625-S629 WeakPolarHBondContact O-CB 3.37Å; W625-S629 PolarHBondContact O-N 3.04Å; S626-S629 WeakPolarHBondContact O-CB 3.45Å; S626-S629 PolarHBondContact O-N 2.82Å; A627-S629 PolarHBondContact O-N 3.31Å |
| 630 | H | 94.5 | Very high | 96.2 | Very high | 20 Ų | 20 | 16.2 Ų | 16.2 | 9% | 0.093 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 12.8 | -176.6 | -57 | -58.4 | 0 | 0 | 0 | 113.2 | H171 F298 V592 Q595 S626 A627 L628 L632 | H171-H630 AromaticContact CE1-CE1 3.86Å; F298-H630 AromaticContact CE1-CE1 3.75Å; F298-H630 AromaticContact CZ-CE1 3.99Å; V592-H630 HydrophobicContact CG2-CB 4.24Å; V592-H630 WeakPolarHBondContact CG2-CD2 3.39Å; V592-H630 VanDerWaalsContact CG2-CE1 3.45Å; V592-H630 WeakPolarHBondContact CG2-CE1 3Å; V592-H630 VanDerWaalsContact CG2-CG 3.45Å; V592-H630 VanDerWaalsContact CG2-NE2 3.28Å; V592-H630 WeakPolarHBondContact CG2-NE2 3.08Å; Q595-H630 WeakPolarHBondContact CG-O 3.43Å; S626-H630 PolarHBondContact O-CD2 2.92Å; S626-H630 VanDerWaalsContact O-CD2 3.31Å; S626-H630 PolarHBondContact O-N 2.94Å; A627-H630 CarbonylContact O-C 3.44Å; A627-H630 PolarHBondContact O-N 3.16Å; L628-H630 PolarHBondContact O-N 2.94Å; H630-L632 HydrophobicContact CB-CD2 3.96Å; H630-L632 HydrophobicContact CB-CG 4.17Å; H630-L632 PolarHBondContact O-N 2.85Å |
| 631 | Q | 95.9 | Very high | 96.1 | Very high | 36 Ų | 36 | 19.6 Ų | 19.6 | 17% | 0.168 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 37.9 | 178.8 | -58.9 | 163.9 | 58.3 | 0 | 0 | 112.8 | V24 Q160 A627 L628 | V24-Q631 PolarHBondContact O-NE2 2.69Å; Q160-Q631 VanDerWaalsContact NE2-CB 3.25Å; Q160-Q631 VanDerWaalsContact NE2-OE1 3.11Å; A627-Q631 PolarHBondContact O-N 3.31Å; A627-Q631 VanDerWaalsContact O-N 3.16Å; L628-Q631 PolarHBondContact O-N 3.45Å |
| 632 | L | 97.9 | Very high | 96 | Very high | 10 Ų | 10 | 15 Ų | 15 | 5% | 0.052 | 7% | 0.071 | C | C | . | . | trans | -71 | 150 | 173.4 | -49.5 | -171.8 | 0 | 0 | 0 | 109.6 | C591 Q595 V603 Q605 A627 H630 | C591-L632 HydrophobicContact CB-CD1 4.04Å; Q595-L632 HydrophobicContact CB-CD2 3.91Å; Q595-L632 HydrophobicContact CG-CD2 4.14Å; V603-L632 HydrophobicContact CB-CD2 3.95Å; V603-L632 HydrophobicContact CG1-CD1 4.46Å; V603-L632 HydrophobicContact CG1-CD2 4.01Å; V603-L632 WeakPolarHBondContact O-CB 3.4Å; Q605-L632 HydrophobicContact CB-CD1 3.91Å; A627-L632 HydrophobicContact CB-CB 4.13Å; A627-L632 HydrophobicContact CB-CD1 4.13Å; A627-L632 HydrophobicContact CB-CG 4.38Å; A627-L632 WeakPolarHBondContact O-CG 3.09Å; A627-L632 PolarHBondContact O-N 2.92Å; H630-L632 HydrophobicContact CB-CD2 3.96Å; H630-L632 HydrophobicContact CB-CG 4.17Å; H630-L632 PolarHBondContact O-N 2.85Å | ||
| 633 | L | 97.7 | Very high | 96.1 | Very high | 18 Ų | 18 | 16.8 Ų | 16.8 | 9% | 0.094 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -72 | -31.7 | -179.2 | 179.9 | 61.3 | 0 | 0 | 0 | 112 | P602 V603 F604 V658 | P602-L633 HydrophobicContact CB-CB 3.56Å; P602-L633 HydrophobicContact CB-CD2 3.37Å; P602-L633 HydrophobicContact CB-CG 4.09Å; P602-L633 HydrophobicContact CG-CD2 3.77Å; V603-L633 PolarHBondContact O-N 2.9Å; F604-L633 HydrophobicContact CE2-CB 4.17Å; F604-L633 HydrophobicContact CE2-CD2 4.01Å; F604-L633 HydrophobicContact CE2-CG 4.26Å; F604-L633 HydrophobicContact CZ-CB 4.41Å; F604-L633 HydrophobicContact CZ-CD2 4.08Å; F604-L633 HydrophobicContact CZ-CG 4.15Å; L633-V658 HydrophobicContact CD1-CG2 4.02Å; L633-V658 HydrophobicContact CD2-CG2 4.45Å; L633-V658 HydrophobicContact CG-CG2 3.91Å; L633-V658 PolarHBondContact O-N 2.88Å |
| 634 | G | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169 | -170.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | F604 Q605 V658 | F604-G634 VanDerWaalsContact CA-O 3.32Å; F604-G634 WeakPolarHBondContact CA-O 3.35Å; F604-G634 VanDerWaalsContact CD1-C 3.41Å; Q605-G634 PolarHBondContact N-O 3.48Å; G634-V658 CarbonylContact C-O 3.57Å; G634-V658 WeakPolarHBondContact CA-O 3.24Å |
| 635 | V | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 149.2 | -176 | -67.7 | 0 | 0 | 0 | 0 | 110.8 | Q605 L623 F624 A627 L637 V658 V659 L660 | Q605-V635 CarbonylContact O-C 3.59Å; Q605-V635 WeakPolarHBondContact O-CA 3.37Å; L623-V635 HydrophobicContact CD2-CB 4.17Å; L623-V635 HydrophobicContact CD2-CG1 4.24Å; L623-V635 HydrophobicContact CG-CB 4.5Å; L623-V635 HydrophobicContact CG-CG1 4.03Å; F624-V635 HydrophobicContact CD1-CG1 4.27Å; F624-V635 HydrophobicContact CD1-CG2 4.09Å; F624-V635 HydrophobicContact CE1-CG2 3.84Å; A627-V635 HydrophobicContact CB-CG1 3.82Å; V635-L637 HydrophobicContact CB-CD2 4.13Å; V635-L637 HydrophobicContact CG2-CD1 4.23Å; V635-L637 HydrophobicContact CG2-CD2 3.92Å; V635-L637 HydrophobicContact CG2-CG 4.02Å; V635-V658 PolarHBondContact N-O 2.92Å; V635-V659 HydrophobicContact CG2-CG2 4.3Å; V635-L660 PolarHBondContact O-N 2.88Å |
| 636 | C | 98 | Very high | 95.4 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.007 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 115.3 | 172.7 | -53.3 | 0 | 0 | 0 | 0 | 109.7 | Q605 L606 G607 L660 W662 | Q605-C636 PolarHBondContact O-N 2.8Å; L606-C636 HydrophobicContact CB-CB 4.36Å; L606-C636 HydrophobicContact CD2-CB 4.06Å; L606-C636 HydrophobicContact CG-CB 3.78Å; G607-C636 PolarHBondContact N-O 2.87Å; C636-L660 CarbonylContact C-O 3.58Å; C636-L660 WeakPolarHBondContact CA-O 3.14Å; C636-L660 HydrophobicContact CB-CB 4.41Å; C636-W662 PolarHBondContact O-NE1 2.97Å |
| 637 | L | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 139.7 | -170.4 | -53.3 | 179.7 | 0 | 0 | 0 | 111.6 | F620 L623 F624 V635 S639 L642 V659 L660 A661 W662 | F620-L637 HydrophobicContact CD1-CD1 4.03Å; F620-L637 HydrophobicContact CD1-CD2 4.4Å; F620-L637 HydrophobicContact CE1-CD1 3.99Å; L623-L637 HydrophobicContact CD2-CD2 3.28Å; F624-L637 HydrophobicContact CE1-CD1 4.03Å; F624-L637 HydrophobicContact CE1-CD2 4.19Å; F624-L637 HydrophobicContact CZ-CD1 4.23Å; V635-L637 HydrophobicContact CB-CD2 4.13Å; V635-L637 HydrophobicContact CG2-CD1 4.23Å; V635-L637 HydrophobicContact CG2-CD2 3.92Å; V635-L637 HydrophobicContact CG2-CG 4.02Å; L637-S639 PolarHBondContact O-N 2.98Å; L637-L642 HydrophobicContact CD1-CD1 3.99Å; L637-V659 HydrophobicContact CD1-CG1 3.68Å; L637-V659 HydrophobicContact CG-CG1 4.19Å; L637-L660 PolarHBondContact N-O 3.47Å; L637-A661 WeakPolarHBondContact O-CA 3.17Å; L637-W662 VanDerWaalsContact C-CD1 3.45Å; L637-W662 VanDerWaalsContact O-CD1 3.26Å; L637-W662 PolarHBondContact O-N 3.23Å |
| 638 | E | 94.8 | Very high | 95.2 | Very high | 39 Ų | 39 | 35 Ų | 35 | 18% | 0.182 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 127.3 | 172.2 | -167.9 | -94.7 | -160.5 | 0 | 0 | 110.6 | D640 R641 L642 W662 | E638-D640 WeakPolarHBondContact OE1-CB 3.32Å; E638-D640 PolarHBondContact OE2-N 3.19Å; E638-D640 VanDerWaalsContact OE2-N 3.14Å; E638-R641 PolarHBondContact O-N 2.87Å; E638-R641 VanDerWaalsContact OE2-CB 3.3Å; E638-R641 WeakPolarHBondContact OE2-CB 3.14Å; E638-R641 WeakPolarHBondContact OE2-CG 2.99Å; E638-R641 PolarHBondContact OE2-N 2.7Å; E638-L642 WeakPolarHBondContact O-CB 3.46Å; E638-L642 PolarHBondContact O-N 2.86Å; E638-W662 CarbonylContact C-O 3.45Å; E638-W662 WeakPolarHBondContact CA-O 3.26Å; E638-W662 HydrophobicContact CB-CH2 4.49Å; E638-W662 HydrophobicContact CB-CZ2 4Å; E638-W662 HydrophobicContact CG-CH2 4.41Å; E638-W662 HydrophobicContact CG-CZ2 4.4Å |
| 639 | S | 95 | Very high | 95.2 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -74.3 | -33.3 | -165 | 53 | 0 | 0 | 0 | 0 | 113.6 | L637 R641 L642 L643 W662 A665 V666 | L637-S639 PolarHBondContact O-N 2.98Å; S639-R641 VanDerWaalsContact C-N 3.28Å; S639-R641 PolarHBondContact O-N 3.24Å; S639-L642 WeakPolarHBondContact O-CB 3.35Å; S639-L642 PolarHBondContact O-N 2.97Å; S639-L643 WeakPolarHBondContact O-CG 3.32Å; S639-L643 PolarHBondContact O-N 3.33Å; S639-W662 WeakPolarHBondContact CB-O 3.33Å; S639-W662 PolarHBondContact N-O 3.4Å; S639-W662 PolarHBondContact OG-O 3.34Å; S639-A665 WeakPolarHBondContact OG-CB 3.47Å; S639-A665 PolarHBondContact OG-N 3.45Å; S639-V666 PolarHBondContact OG-N 3.2Å |
| 640 | D | 93.7 | Very high | 95.2 | Very high | 34 Ų | 34 | 39.7 Ų | 39.7 | 18% | 0.182 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.1 | -29.2 | 177.9 | -65.7 | -94.4 | 0 | 0 | 0 | 112.1 | E638 K644 E664 A665 K671 | E638-D640 WeakPolarHBondContact OE1-CB 3.32Å; E638-D640 PolarHBondContact OE2-N 3.19Å; E638-D640 VanDerWaalsContact OE2-N 3.14Å; D640-K644 VanDerWaalsContact O-CD 3.24Å; D640-K644 WeakPolarHBondContact O-CD 3.41Å; D640-K644 WeakPolarHBondContact O-CE 3.48Å; D640-K644 VanDerWaalsContact O-CG 3.31Å; D640-K644 WeakPolarHBondContact O-CG 3.49Å; D640-E664 PolarHBondContact OD2-N 2.85Å; D640-A665 WeakPolarHBondContact OD2-CB 3.47Å; D640-A665 PolarHBondContact OD2-N 3.2Å; D640-K671 IonicContact OD1-NZ 2.68Å |
| 641 | R | 93.5 | Very high | 95.3 | Very high | 93 Ų | 93 | 41.1 Ų | 41.1 | 35% | 0.351 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -78.3 | -42.6 | 169.9 | -69.9 | 172.4 | -173.3 | -73.3 | -4.9 | 111.3 | I608 F620 E638 S639 L643 K644 | I608-R641 VanDerWaalsContact CG2-CD 3.48Å; I608-R641 PolarHBondContact O-NE 3.3Å; F620-R641 HydrophobicContact CZ-CB 4.11Å; E638-R641 PolarHBondContact O-N 2.87Å; E638-R641 VanDerWaalsContact OE2-CB 3.3Å; E638-R641 WeakPolarHBondContact OE2-CB 3.14Å; E638-R641 WeakPolarHBondContact OE2-CG 2.99Å; E638-R641 PolarHBondContact OE2-N 2.7Å; S639-R641 VanDerWaalsContact C-N 3.28Å; S639-R641 PolarHBondContact O-N 3.24Å; R641-L643 VanDerWaalsContact C-N 3.27Å; R641-L643 PolarHBondContact O-N 2.86Å; R641-K644 WeakPolarHBondContact O-CB 3.14Å; R641-K644 PolarHBondContact O-N 2.8Å |
| 642 | L | 93.5 | Very high | 95.4 | Very high | 7 Ų | 7 | 39.4 Ų | 39.4 | 4% | 0.037 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -55.2 | -44.2 | 179 | -171 | 57.9 | 0 | 0 | 0 | 111.6 | F620 L637 E638 S639 K644 V645 I648 I649 A661 L675 V680 | F620-L642 HydrophobicContact CE1-CD1 4.06Å; L637-L642 HydrophobicContact CD1-CD1 3.99Å; E638-L642 WeakPolarHBondContact O-CB 3.46Å; E638-L642 PolarHBondContact O-N 2.86Å; S639-L642 WeakPolarHBondContact O-CB 3.35Å; S639-L642 PolarHBondContact O-N 2.97Å; L642-K644 PolarHBondContact O-N 2.81Å; L642-V645 PolarHBondContact O-N 2.93Å; L642-I648 HydrophobicContact CD1-CG2 3.45Å; L642-I648 VanDerWaalsContact CD1-CG2 3.45Å; L642-I649 HydrophobicContact CD1-CD1 4.04Å; L642-I649 HydrophobicContact CD1-CG1 3.68Å; L642-I649 HydrophobicContact CD2-CD1 4.17Å; L642-I649 HydrophobicContact CD2-CG1 4.45Å; L642-I649 HydrophobicContact CG-CD1 4.12Å; L642-I649 HydrophobicContact CG-CG1 4.31Å; L642-A661 HydrophobicContact CD2-CB 4.02Å; L642-L675 HydrophobicContact CB-CD2 4.42Å; L642-L675 HydrophobicContact CD2-CD2 3.71Å; L642-L675 HydrophobicContact CG-CD2 4.05Å; L642-V680 HydrophobicContact CD2-CG2 3.73Å |
| 643 | L | 94.3 | Very high | 95.3 | Very high | 56 Ų | 56 | 42.3 Ų | 42.3 | 29% | 0.293 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -14.7 | 177.6 | -71.6 | 173.7 | 0 | 0 | 0 | 114.6 | S639 R641 A665 K671 L674 L675 | S639-L643 WeakPolarHBondContact O-CG 3.32Å; S639-L643 PolarHBondContact O-N 3.33Å; R641-L643 VanDerWaalsContact C-N 3.27Å; R641-L643 PolarHBondContact O-N 2.86Å; L643-A665 HydrophobicContact CD1-CB 3.7Å; L643-K671 HydrophobicContact CD1-CB 4.14Å; L643-K671 HydrophobicContact CD1-CD 3.77Å; L643-K671 HydrophobicContact CD1-CG 4.12Å; L643-L674 HydrophobicContact CD2-CD2 3.63Å; L643-L674 HydrophobicContact CD2-CG 3.95Å; L643-L675 HydrophobicContact CD2-CD2 3.64Å; L643-L675 HydrophobicContact CD2-CG 3.95Å; L643-L675 HydrophobicContact CG-CD2 3.87Å; L643-L675 HydrophobicContact CG-CG 4.33Å |
| 644 | K | 94.2 | Very high | 95.3 | Very high | 160 Ų | 160 | 45.3 Ų | 45.3 | 70% | 0.696 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -11 | -179 | -67.8 | 168.3 | -172.8 | 163.4 | 0 | 113.4 | D640 R641 L642 | D640-K644 VanDerWaalsContact O-CD 3.24Å; D640-K644 WeakPolarHBondContact O-CD 3.41Å; D640-K644 WeakPolarHBondContact O-CE 3.48Å; D640-K644 VanDerWaalsContact O-CG 3.31Å; D640-K644 WeakPolarHBondContact O-CG 3.49Å; R641-K644 WeakPolarHBondContact O-CB 3.14Å; R641-K644 PolarHBondContact O-N 2.8Å; L642-K644 PolarHBondContact O-N 2.81Å |
| 645 | V | 93.8 | Very high | 95.1 | Very high | 58 Ų | 58 | 47.7 Ų | 47.7 | 35% | 0.352 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -124.4 | 87.6 | -174 | -170.5 | 0 | 0 | 0 | 0 | 110 | F620 L642 I648 | F620-V645 HydrophobicContact CD2-CG2 4.46Å; F620-V645 HydrophobicContact CE2-CB 4.15Å; F620-V645 HydrophobicContact CE2-CG2 3.69Å; F620-V645 HydrophobicContact CZ-CG2 4.32Å; L642-V645 PolarHBondContact O-N 2.93Å; V645-I648 HydrophobicContact CB-CB 4.29Å; V645-I648 HydrophobicContact CB-CG2 4.28Å; V645-I648 HydrophobicContact CG1-CB 3.96Å; V645-I648 HydrophobicContact CG1-CG1 4.35Å; V645-I648 HydrophobicContact CG1-CG2 4.5Å; V645-I648 WeakPolarHBondContact O-CB 3.06Å; V645-I648 WeakPolarHBondContact O-CG2 3.25Å |
| 646 | P | 88.3 | Confident | 94.9 | Very high | 127 Ų | 127 | 55.3 Ų | 55.3 | 83% | 0.825 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 147.2 | 177.3 | 27.7 | -34.7 | 0 | 0 | 0 | 111.1 | I648 | P646-I648 VanDerWaalsContact C-N 3.29Å; P646-I648 PolarHBondContact O-N 3.4Å |
| 647 | G | 93.8 | Very high | 94.9 | Very high | 40 Ų | 40 | 55.5 Ų | 55.5 | 41% | 0.412 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | -8.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | E650 L651 | G647-E650 WeakPolarHBondContact CA-OE2 3.11Å; G647-E650 PolarHBondContact N-OE2 3.26Å; G647-L651 PolarHBondContact O-N 2.88Å |
| 648 | I | 96 | Very high | 94.9 | Very high | 13 Ų | 13 | 55.9 Ų | 55.9 | 7% | 0.067 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -76.7 | -30.5 | -172.2 | -159.7 | 56.7 | 0 | 0 | 0 | 113.3 | F620 F624 L642 V645 P646 L651 A652 | F620-I648 HydrophobicContact CB-CD1 3.63Å; F620-I648 HydrophobicContact CB-CG1 3.77Å; F620-I648 HydrophobicContact CD1-CD1 4.27Å; F620-I648 HydrophobicContact CD1-CG1 3.41Å; F620-I648 VanDerWaalsContact CD1-CG1 3.41Å; F620-I648 HydrophobicContact CD1-CG2 4.4Å; F620-I648 HydrophobicContact CD2-CD1 4.39Å; F620-I648 HydrophobicContact CD2-CG1 4.02Å; F620-I648 HydrophobicContact CE1-CG1 3.95Å; F620-I648 HydrophobicContact CE1-CG2 4.13Å; F620-I648 HydrophobicContact CE2-CG1 4.49Å; F620-I648 HydrophobicContact CG-CD1 3.88Å; F620-I648 HydrophobicContact CG-CG1 3.47Å; F620-I648 VanDerWaalsContact CG-CG1 3.47Å; F620-I648 HydrophobicContact CZ-CG1 4.46Å; F620-I648 HydrophobicContact CZ-CG2 4.48Å; F624-I648 HydrophobicContact CE2-CD1 3.88Å; F624-I648 HydrophobicContact CE2-CG1 4.14Å; F624-I648 HydrophobicContact CZ-CD1 4.28Å; F624-I648 HydrophobicContact CZ-CG1 4.06Å; L642-I648 HydrophobicContact CD1-CG2 3.45Å; L642-I648 VanDerWaalsContact CD1-CG2 3.45Å; V645-I648 HydrophobicContact CB-CB 4.29Å; V645-I648 HydrophobicContact CB-CG2 4.28Å; V645-I648 HydrophobicContact CG1-CB 3.96Å; V645-I648 HydrophobicContact CG1-CG1 4.35Å; V645-I648 HydrophobicContact CG1-CG2 4.5Å; V645-I648 WeakPolarHBondContact O-CB 3.06Å; V645-I648 WeakPolarHBondContact O-CG2 3.25Å; P646-I648 VanDerWaalsContact C-N 3.29Å; P646-I648 PolarHBondContact O-N 3.4Å; I648-L651 HydrophobicContact CD1-CB 4.5Å; I648-L651 HydrophobicContact CD1-CD2 3.91Å; I648-L651 PolarHBondContact O-N 3.07Å; I648-A652 PolarHBondContact O-N 2.73Å |
| 649 | I | 95.7 | Very high | 95.1 | Very high | 9 Ų | 9 | 54 Ų | 54 | 5% | 0.046 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -71.2 | -42.7 | 174.3 | -63.7 | 164.1 | 0 | 0 | 0 | 108.9 | L642 L651 A652 H653 S678 V680 | L642-I649 HydrophobicContact CD1-CD1 4.04Å; L642-I649 HydrophobicContact CD1-CG1 3.68Å; L642-I649 HydrophobicContact CD2-CD1 4.17Å; L642-I649 HydrophobicContact CD2-CG1 4.45Å; L642-I649 HydrophobicContact CG-CD1 4.12Å; L642-I649 HydrophobicContact CG-CG1 4.31Å; I649-L651 VanDerWaalsContact C-N 3.26Å; I649-L651 PolarHBondContact O-N 3.42Å; I649-A652 WeakPolarHBondContact O-CB 3.37Å; I649-A652 PolarHBondContact O-N 2.86Å; I649-A652 VanDerWaalsContact O-N 3.11Å; I649-H653 WeakPolarHBondContact O-CB 3.38Å; I649-H653 PolarHBondContact O-N 3.34Å; I649-S678 WeakPolarHBondContact CG2-O 3.47Å; I649-V680 HydrophobicContact CD1-CG2 3.64Å; I649-V680 HydrophobicContact CG1-CG2 4.47Å |
| 650 | E | 96 | Very high | 95.2 | Very high | 112 Ų | 112 | 54 Ų | 54 | 52% | 0.523 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.7 | -38.6 | 174.8 | -62.7 | 86.1 | 163.1 | 0 | 0 | 111.3 | G647 S654 | G647-E650 WeakPolarHBondContact CA-OE2 3.11Å; G647-E650 PolarHBondContact N-OE2 3.26Å; E650-S654 WeakPolarHBondContact O-CB 3.03Å; E650-S654 PolarHBondContact O-N 2.95Å |
| 651 | L | 96.6 | Very high | 95.4 | Very high | 50 Ų | 50 | 52.4 Ų | 52.4 | 26% | 0.262 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.1 | -43 | 173.1 | -177.8 | 66.2 | 0 | 0 | 0 | 112.4 | Q621 F624 G647 I648 I649 S654 H655 | Q621-L651 HydrophobicContact CG-CD2 4.36Å; F624-L651 HydrophobicContact CD2-CD2 4.41Å; F624-L651 HydrophobicContact CD2-CG 4.5Å; F624-L651 HydrophobicContact CE2-CD2 4.32Å; F624-L651 HydrophobicContact CE2-CG 4.41Å; G647-L651 PolarHBondContact O-N 2.88Å; I648-L651 HydrophobicContact CD1-CB 4.5Å; I648-L651 HydrophobicContact CD1-CD2 3.91Å; I648-L651 PolarHBondContact O-N 3.07Å; I649-L651 VanDerWaalsContact C-N 3.26Å; I649-L651 PolarHBondContact O-N 3.42Å; L651-S654 PolarHBondContact O-OG 3.45Å; L651-H655 PolarHBondContact O-ND1 2.91Å |
| 652 | A | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.3 | -46.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | F624 I648 I649 S654 H655 K656 L657 V659 | F624-A652 HydrophobicContact CD2-CB 4.41Å; F624-A652 HydrophobicContact CE1-CB 4.21Å; F624-A652 HydrophobicContact CE2-CB 3.83Å; F624-A652 HydrophobicContact CZ-CB 3.72Å; I648-A652 PolarHBondContact O-N 2.73Å; I649-A652 WeakPolarHBondContact O-CB 3.37Å; I649-A652 PolarHBondContact O-N 2.86Å; I649-A652 VanDerWaalsContact O-N 3.11Å; A652-S654 PolarHBondContact O-N 2.95Å; A652-H655 CarbonylContact O-C 3.56Å; A652-H655 WeakPolarHBondContact O-CA 3.12Å; A652-H655 PolarHBondContact O-N 3.33Å; A652-H655 VanDerWaalsContact O-N 3.07Å; A652-K656 PolarHBondContact O-N 3.19Å; A652-L657 HydrophobicContact CB-CB 4.3Å; A652-L657 PolarHBondContact O-N 2.83Å; A652-L657 VanDerWaalsContact O-N 3.1Å; A652-V659 HydrophobicContact CB-CG2 3.5Å |
| 653 | H | 96.5 | Very high | 95.6 | Very high | 71 Ų | 71 | 51.6 Ų | 51.6 | 33% | 0.329 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.6 | -34.8 | 179.2 | -74.2 | -174.8 | 0 | 0 | 0 | 113.3 | I649 H655 K656 L657 G679 D681 | I649-H653 WeakPolarHBondContact O-CB 3.38Å; I649-H653 PolarHBondContact O-N 3.34Å; H653-H655 PolarHBondContact O-N 2.95Å; H653-H655 VanDerWaalsContact O-N 3.16Å; H653-K656 PolarHBondContact O-N 2.9Å; H653-L657 PolarHBondContact CD2-O 3.35Å; H653-G679 PolarHBondContact CE1-O 2.79Å; H653-D681 IonicContact CD2-OD2 2.8Å; H653-D681 IonicContact CE1-OD2 2.98Å; H653-D681 IonicContact NE2-OD2 3.22Å; H653-D681 PolarHBondContact NE2-OD2 2.86Å |
| 654 | S | 96.3 | Very high | 95.5 | Very high | 81 Ų | 81 | 53.4 Ų | 53.4 | 57% | 0.566 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -61.9 | -22 | 174.2 | 76.6 | 0 | 0 | 0 | 0 | 112.2 | E650 L651 A652 | E650-S654 WeakPolarHBondContact O-CB 3.03Å; E650-S654 PolarHBondContact O-N 2.95Å; L651-S654 PolarHBondContact O-OG 3.45Å; A652-S654 PolarHBondContact O-N 2.95Å |
| 655 | H | 95 | Very high | 95.5 | Very high | 50 Ų | 50 | 45.8 Ų | 45.8 | 23% | 0.231 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 14.6 | 174.2 | -59.6 | 89 | 0 | 0 | 0 | 113.4 | I271 W625 L628 L651 A652 H653 L657 | I271-H655 VanDerWaalsContact CD1-CD2 3.49Å; I271-H655 WeakPolarHBondContact CD1-CD2 3.39Å; I271-H655 WeakPolarHBondContact CD1-NE2 3.3Å; W625-H655 AromaticContact CH2-CE1 3.92Å; L628-H655 HydrophobicContact CD1-CB 3.85Å; L628-H655 HydrophobicContact CD2-CB 4.48Å; L651-H655 PolarHBondContact O-ND1 2.91Å; A652-H655 CarbonylContact O-C 3.56Å; A652-H655 WeakPolarHBondContact O-CA 3.12Å; A652-H655 PolarHBondContact O-N 3.33Å; A652-H655 VanDerWaalsContact O-N 3.07Å; H653-H655 PolarHBondContact O-N 2.95Å; H653-H655 VanDerWaalsContact O-N 3.16Å; H655-L657 PolarHBondContact O-N 2.95Å |
| 656 | K | 94.4 | Very high | 95.5 | Very high | 160 Ų | 160 | 43 Ų | 43 | 70% | 0.696 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 20.1 | 177.4 | -51.8 | 178.5 | -179.8 | 176.5 | 0 | 114.8 | A652 H653 | A652-K656 PolarHBondContact O-N 3.19Å; H653-K656 PolarHBondContact O-N 2.9Å |
| 657 | L | 97.4 | Very high | 95.8 | Very high | 5 Ų | 5 | 38.9 Ų | 38.9 | 3% | 0.026 | 21% | 0.205 | C | C | . | . | trans | -79 | 135.8 | 173.8 | -68.7 | 172.7 | 0 | 0 | 0 | 110.7 | F624 A627 L628 A652 H653 H655 | F624-L657 HydrophobicContact CB-CD1 3.71Å; F624-L657 HydrophobicContact CD1-CD1 4.01Å; F624-L657 HydrophobicContact CG-CD1 3.88Å; A627-L657 HydrophobicContact CB-CD2 4.13Å; L628-L657 HydrophobicContact CD1-CD1 4.4Å; L628-L657 HydrophobicContact CD2-CD2 3.97Å; L628-L657 HydrophobicContact CD2-CG 4.17Å; L628-L657 HydrophobicContact CG-CD1 4.25Å; L628-L657 HydrophobicContact CG-CD2 4.21Å; L628-L657 HydrophobicContact CG-CG 4.34Å; A652-L657 HydrophobicContact CB-CB 4.3Å; A652-L657 PolarHBondContact O-N 2.83Å; A652-L657 VanDerWaalsContact O-N 3.1Å; H653-L657 PolarHBondContact CD2-O 3.35Å; H655-L657 PolarHBondContact O-N 2.95Å | ||
| 658 | V | 97.8 | Very high | 95.8 | Very high | 8 Ų | 8 | 40.2 Ų | 40.2 | 5% | 0.048 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 133.9 | 168.8 | 179.2 | 0 | 0 | 0 | 0 | 109.4 | W392 F604 L633 G634 V635 L660 D681 | W392-V658 HydrophobicContact CB-CG2 3.62Å; W392-V658 HydrophobicContact CD2-CB 4.38Å; W392-V658 HydrophobicContact CD2-CG1 3.55Å; W392-V658 HydrophobicContact CD2-CG2 3.86Å; W392-V658 VanDerWaalsContact CE2-CG1 3.49Å; W392-V658 HydrophobicContact CE3-CG1 3.84Å; W392-V658 HydrophobicContact CE3-CG2 4.32Å; W392-V658 HydrophobicContact CG-CB 4.47Å; W392-V658 HydrophobicContact CG-CG1 4.04Å; W392-V658 HydrophobicContact CG-CG2 3.52Å; W392-V658 HydrophobicContact CH2-CG1 4.04Å; W392-V658 HydrophobicContact CZ2-CG1 3.79Å; W392-V658 HydrophobicContact CZ3-CG1 4.06Å; F604-V658 HydrophobicContact CE1-CB 3.78Å; F604-V658 HydrophobicContact CE1-CG1 3.72Å; F604-V658 HydrophobicContact CZ-CB 3.89Å; F604-V658 HydrophobicContact CZ-CG1 3.84Å; L633-V658 HydrophobicContact CD1-CG2 4.02Å; L633-V658 HydrophobicContact CD2-CG2 4.45Å; L633-V658 HydrophobicContact CG-CG2 3.91Å; L633-V658 PolarHBondContact O-N 2.88Å; G634-V658 CarbonylContact C-O 3.57Å; G634-V658 WeakPolarHBondContact CA-O 3.24Å; V635-V658 PolarHBondContact N-O 2.92Å; V658-L660 HydrophobicContact CG1-CD2 4.42Å; V658-D681 HydrophobicContact CG1-CB 3.6Å |
| 659 | V | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 116 | -177.7 | 179.5 | 0 | 0 | 0 | 0 | 111.1 | V635 L637 A652 V680 D681 G682 | V635-V659 HydrophobicContact CG2-CG2 4.3Å; L637-V659 HydrophobicContact CD1-CG1 3.68Å; L637-V659 HydrophobicContact CG-CG1 4.19Å; A652-V659 HydrophobicContact CB-CG2 3.5Å; V659-V680 WeakPolarHBondContact O-CG1 3.41Å; V659-D681 PolarHBondContact N-OD2 3.47Å; V659-D681 WeakPolarHBondContact O-CB 3.42Å; V659-D681 PolarHBondContact O-N 3.05Å; V659-G682 PolarHBondContact O-N 3.38Å |
| 660 | L | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 139.1 | 167.1 | -52.4 | -175.6 | 0 | 0 | 0 | 109.7 | W392 I401 L582 F604 V635 C636 L637 V658 G682 I684 | W392-L660 HydrophobicContact CH2-CD2 3.94Å; W392-L660 HydrophobicContact CZ2-CD2 4.39Å; I401-L660 HydrophobicContact CD1-CD1 4.28Å; I401-L660 HydrophobicContact CD1-CD2 4.22Å; L582-L660 HydrophobicContact CD1-CD1 4.01Å; F604-L660 HydrophobicContact CD1-CD1 3.88Å; F604-L660 HydrophobicContact CD1-CG 3.98Å; F604-L660 HydrophobicContact CE1-CD1 3.92Å; F604-L660 HydrophobicContact CE1-CD2 4.43Å; F604-L660 HydrophobicContact CE1-CG 3.79Å; F604-L660 HydrophobicContact CG-CD1 4.46Å; V635-L660 PolarHBondContact O-N 2.88Å; C636-L660 CarbonylContact C-O 3.58Å; C636-L660 WeakPolarHBondContact CA-O 3.14Å; C636-L660 HydrophobicContact CB-CB 4.41Å; L637-L660 PolarHBondContact N-O 3.47Å; V658-L660 HydrophobicContact CG1-CD2 4.42Å; L660-G682 CarbonylContact C-O 3.55Å; L660-G682 VanDerWaalsContact CA-O 3.3Å; L660-G682 WeakPolarHBondContact CA-O 2.96Å; L660-I684 HydrophobicContact CB-CD1 4.33Å |
| 661 | A | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 136.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L637 L642 V666 L675 V680 G682 I684 | L637-A661 WeakPolarHBondContact O-CA 3.17Å; L642-A661 HydrophobicContact CD2-CB 4.02Å; A661-V666 HydrophobicContact CB-CG1 4.15Å; A661-L675 HydrophobicContact CB-CD1 4.36Å; A661-V680 HydrophobicContact CB-CG1 3.76Å; A661-V680 HydrophobicContact CB-CG2 4.3Å; A661-G682 PolarHBondContact N-O 2.95Å; A661-I684 PolarHBondContact O-N 3.23Å |
| 662 | W | 96.7 | Very high | 95.4 | Very high | 64 Ų | 64 | 42.5 Ų | 42.5 | 24% | 0.242 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 173.4 | 175.2 | 67.8 | -82.9 | 0 | 0 | 0 | 110.5 | F586 C636 L637 E638 S639 I684 | F586-W662 HydrophobicContact CE1-CH2 4.44Å; F586-W662 AromaticContact CE1-CZ2 3.98Å; F586-W662 HydrophobicContact CE1-CZ2 3.98Å; F586-W662 AromaticContact CZ-CH2 3.84Å; F586-W662 HydrophobicContact CZ-CH2 3.84Å; F586-W662 AromaticContact CZ-CZ2 3.6Å; F586-W662 HydrophobicContact CZ-CZ2 3.6Å; C636-W662 PolarHBondContact O-NE1 2.97Å; L637-W662 VanDerWaalsContact C-CD1 3.45Å; L637-W662 VanDerWaalsContact O-CD1 3.26Å; L637-W662 PolarHBondContact O-N 3.23Å; E638-W662 CarbonylContact C-O 3.45Å; E638-W662 WeakPolarHBondContact CA-O 3.26Å; E638-W662 HydrophobicContact CB-CH2 4.49Å; E638-W662 HydrophobicContact CB-CZ2 4Å; E638-W662 HydrophobicContact CG-CH2 4.41Å; E638-W662 HydrophobicContact CG-CZ2 4.4Å; S639-W662 WeakPolarHBondContact CB-O 3.33Å; S639-W662 PolarHBondContact N-O 3.4Å; S639-W662 PolarHBondContact OG-O 3.34Å; W662-I684 HydrophobicContact CB-CB 4.11Å; W662-I684 HydrophobicContact CB-CD1 4.36Å |
| 663 | G | 93.5 | Very high | 95.2 | Very high | 19 Ų | 19 | 46.8 Ų | 46.8 | 20% | 0.196 | 23% | 0.234 | C | C | . | . | S | Bend | trans | 119.5 | -152 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V666 | G663-V666 WeakPolarHBondContact O-CG2 3.44Š|
| 664 | E | 92 | Very high | 95.1 | Very high | 95 Ų | 95 | 47.4 Ų | 47.4 | 44% | 0.444 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -90 | -38.8 | -175.2 | -69.2 | -65.8 | 151.7 | 0 | 0 | 112 | K419 D640 V666 N667 | K419-E664 WeakPolarHBondContact CE-OE2 3.45Å; K419-E664 IonicContact NZ-OE1 3.26Å; K419-E664 PolarHBondContact NZ-OE1 3.24Å; K419-E664 IonicContact NZ-OE2 2.79Å; K419-E664 PolarHBondContact NZ-OE2 2.7Å; K419-E664 VanDerWaalsContact NZ-OE2 3.09Å; D640-E664 PolarHBondContact OD2-N 2.85Å; E664-V666 VanDerWaalsContact C-N 3.25Å; E664-V666 PolarHBondContact O-N 2.87Å; E664-N667 WeakPolarHBondContact O-CB 3.29Å; E664-N667 PolarHBondContact O-N 3.25Å |
| 665 | A | 94.4 | Very high | 95 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -59.9 | -33.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S639 D640 L643 N667 I668 K671 | S639-A665 WeakPolarHBondContact OG-CB 3.47Å; S639-A665 PolarHBondContact OG-N 3.45Å; D640-A665 WeakPolarHBondContact OD2-CB 3.47Å; D640-A665 PolarHBondContact OD2-N 3.2Å; L643-A665 HydrophobicContact CD1-CB 3.7Å; A665-N667 PolarHBondContact O-N 3.12Å; A665-I668 PolarHBondContact O-N 3.18Å; A665-I668 VanDerWaalsContact O-N 3.12Å; A665-K671 HydrophobicContact CB-CB 4.45Å; A665-K671 HydrophobicContact CB-CD 3.44Å; A665-K671 VanDerWaalsContact CB-CD 3.44Å; A665-K671 VanDerWaalsContact O-CB 3.23Å; A665-K671 WeakPolarHBondContact O-CB 3.41Å |
| 666 | V | 94.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -64.3 | -16.9 | 175.1 | -59.6 | 0 | 0 | 0 | 0 | 113.8 | S639 A661 G663 E664 I668 R672 L675 I683 I684 Y685 | S639-V666 PolarHBondContact OG-N 3.2Å; A661-V666 HydrophobicContact CB-CG1 4.15Å; G663-V666 WeakPolarHBondContact O-CG2 3.44Å; E664-V666 VanDerWaalsContact C-N 3.25Å; E664-V666 PolarHBondContact O-N 2.87Å; V666-I668 VanDerWaalsContact C-N 3.26Å; V666-I668 PolarHBondContact O-N 2.81Å; V666-R672 WeakPolarHBondContact O-CD 3.2Å; V666-R672 WeakPolarHBondContact O-CG 3.09Å; V666-R672 PolarHBondContact O-NH1 2.93Å; V666-L675 HydrophobicContact CG1-CD1 3.8Å; V666-I683 HydrophobicContact CB-CG2 3.73Å; V666-I683 HydrophobicContact CG1-CG2 3.69Å; V666-I684 WeakPolarHBondContact CG2-O 3.45Å; V666-Y685 WeakPolarHBondContact O-CB 2.99Å |
| 667 | N | 93.6 | Very high | 94.8 | Very high | 39 Ų | 39 | 42.1 Ų | 42.1 | 21% | 0.209 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -80.5 | -10.2 | 175.9 | -66.4 | -36 | 0 | 0 | 0 | 112.3 | E664 A665 R672 D686 | E664-N667 WeakPolarHBondContact O-CB 3.29Å; E664-N667 PolarHBondContact O-N 3.25Å; A665-N667 PolarHBondContact O-N 3.12Å; N667-R672 PolarHBondContact O-NH1 3.27Å; N667-R672 VanDerWaalsContact O-NH1 3.09Å; N667-D686 WeakPolarHBondContact OD1-CB 3.43Å; N667-D686 PolarHBondContact OD1-N 3.06Å |
| 668 | I | 93.4 | Very high | 94.5 | Very high | 68 Ų | 68 | 44 Ų | 44 | 35% | 0.349 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -96.5 | 118.6 | 179 | -60.7 | 167.5 | 0 | 0 | 0 | 109.6 | A665 V666 E670 K671 R672 | A665-I668 PolarHBondContact O-N 3.18Å; A665-I668 VanDerWaalsContact O-N 3.12Å; V666-I668 VanDerWaalsContact C-N 3.26Å; V666-I668 PolarHBondContact O-N 2.81Å; I668-E670 VanDerWaalsContact C-N 3.34Å; I668-E670 VanDerWaalsContact CG2-OE2 3.22Å; I668-E670 WeakPolarHBondContact CG2-OE2 3.37Å; I668-E670 PolarHBondContact O-N 2.91Å; I668-K671 HydrophobicContact CB-CB 4.13Å; I668-K671 HydrophobicContact CB-CD 4.16Å; I668-K671 HydrophobicContact CB-CG 4.09Å; I668-K671 HydrophobicContact CD1-CD 3.87Å; I668-K671 HydrophobicContact CG2-CB 4.36Å; I668-K671 HydrophobicContact CG2-CD 4.47Å; I668-K671 HydrophobicContact CG2-CG 4.03Å; I668-K671 PolarHBondContact O-N 2.99Å; I668-K671 VanDerWaalsContact O-N 3.09Å; I668-R672 PolarHBondContact O-N 2.8Å |
| 669 | P | 92.5 | Very high | 94.3 | Very high | 33 Ų | 33 | 45 Ų | 45 | 21% | 0.214 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -51.6 | -44.7 | -176.2 | -25 | 30.3 | 0 | 0 | 0 | 114.8 | K671 R672 I673 | P669-K671 VanDerWaalsContact C-N 3.33Å; P669-K671 PolarHBondContact O-N 2.86Å; P669-R672 WeakPolarHBondContact O-CB 3.15Å; P669-R672 PolarHBondContact O-N 2.81Å; P669-I673 WeakPolarHBondContact O-CG1 3.37Å; P669-I673 PolarHBondContact O-N 2.89Å |
| 670 | E | 94.3 | Very high | 94.3 | Very high | 116 Ų | 116 | 45.2 Ų | 45.2 | 54% | 0.542 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66 | -37.7 | -178.2 | -60.4 | 78.6 | -173.8 | 0 | 0 | 111.7 | I668 I673 L674 | I668-E670 VanDerWaalsContact C-N 3.34Å; I668-E670 VanDerWaalsContact CG2-OE2 3.22Å; I668-E670 WeakPolarHBondContact CG2-OE2 3.37Å; I668-E670 PolarHBondContact O-N 2.91Å; E670-I673 PolarHBondContact O-N 2.87Å; E670-L674 PolarHBondContact O-N 2.82Å; E670-L674 VanDerWaalsContact O-N 3.09Å |
| 671 | K | 94.9 | Very high | 94.2 | Very high | 67 Ų | 67 | 46.4 Ų | 46.4 | 29% | 0.291 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -71.9 | -36.1 | 176.6 | -68.2 | -169.6 | -175.7 | 177.7 | 0 | 111.4 | D640 L643 A665 I668 P669 I673 L674 L675 | D640-K671 IonicContact OD1-NZ 2.68Å; L643-K671 HydrophobicContact CD1-CB 4.14Å; L643-K671 HydrophobicContact CD1-CD 3.77Å; L643-K671 HydrophobicContact CD1-CG 4.12Å; A665-K671 HydrophobicContact CB-CB 4.45Å; A665-K671 HydrophobicContact CB-CD 3.44Å; A665-K671 VanDerWaalsContact CB-CD 3.44Å; A665-K671 VanDerWaalsContact O-CB 3.23Å; A665-K671 WeakPolarHBondContact O-CB 3.41Å; I668-K671 HydrophobicContact CB-CB 4.13Å; I668-K671 HydrophobicContact CB-CD 4.16Å; I668-K671 HydrophobicContact CB-CG 4.09Å; I668-K671 HydrophobicContact CD1-CD 3.87Å; I668-K671 HydrophobicContact CG2-CB 4.36Å; I668-K671 HydrophobicContact CG2-CD 4.47Å; I668-K671 HydrophobicContact CG2-CG 4.03Å; I668-K671 PolarHBondContact O-N 2.99Å; I668-K671 VanDerWaalsContact O-N 3.09Å; P669-K671 VanDerWaalsContact C-N 3.33Å; P669-K671 PolarHBondContact O-N 2.86Å; K671-I673 VanDerWaalsContact C-N 3.34Å; K671-L674 WeakPolarHBondContact O-CB 3.39Å; K671-L674 PolarHBondContact O-N 3.29Å; K671-L675 WeakPolarHBondContact O-CG 3.15Å; K671-L675 PolarHBondContact O-N 3.42Å |
| 672 | R | 93.8 | Very high | 94.2 | Very high | 17 Ų | 17 | 46.4 Ų | 46.4 | 6% | 0.064 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.4 | -45.3 | 171.5 | -72.3 | -164.3 | -68.4 | -86.5 | -0.8 | 111.9 | V666 N667 I668 P669 L674 L675 A676 I683 N691 | V666-R672 WeakPolarHBondContact O-CD 3.2Å; V666-R672 WeakPolarHBondContact O-CG 3.09Å; V666-R672 PolarHBondContact O-NH1 2.93Å; N667-R672 PolarHBondContact O-NH1 3.27Å; N667-R672 VanDerWaalsContact O-NH1 3.09Å; I668-R672 PolarHBondContact O-N 2.8Å; P669-R672 WeakPolarHBondContact O-CB 3.15Å; P669-R672 PolarHBondContact O-N 2.81Å; R672-L674 VanDerWaalsContact C-N 3.29Å; R672-L674 PolarHBondContact O-N 3.02Å; R672-L675 PolarHBondContact O-N 3Å; R672-A676 WeakPolarHBondContact O-CB 3.37Å; R672-A676 PolarHBondContact O-N 3.21Å; R672-I683 HydrophobicContact CB-CD1 4.36Å; R672-I683 HydrophobicContact CG-CG2 4.2Å; R672-N691 PolarHBondContact NH2-ND2 3.43Å; R672-N691 PolarHBondContact NH2-OD1 3.26Å |
| 673 | I | 93.2 | Very high | 94.2 | Very high | 90 Ų | 90 | 43.8 Ų | 43.8 | 46% | 0.462 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.5 | -44.5 | 176.9 | -68 | 167.1 | 0 | 0 | 0 | 110 | P669 E670 K671 A676 Q677 | P669-I673 WeakPolarHBondContact O-CG1 3.37Å; P669-I673 PolarHBondContact O-N 2.89Å; E670-I673 PolarHBondContact O-N 2.87Å; K671-I673 VanDerWaalsContact C-N 3.34Å; I673-A676 PolarHBondContact O-N 3.12Å; I673-Q677 HydrophobicContact CG2-CG 4.4Å; I673-Q677 WeakPolarHBondContact O-CB 2.85Å; I673-Q677 VanDerWaalsContact O-CG 3.24Å; I673-Q677 WeakPolarHBondContact O-CG 3.3Å; I673-Q677 PolarHBondContact O-N 2.99Å |
| 674 | L | 94.3 | Very high | 94.4 | Very high | 83 Ų | 83 | 43.3 Ų | 43.3 | 44% | 0.435 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61 | -47.1 | 177.1 | -178 | 60.5 | 0 | 0 | 0 | 112.1 | L643 E670 K671 R672 A676 Q677 S678 | L643-L674 HydrophobicContact CD2-CD2 3.63Å; L643-L674 HydrophobicContact CD2-CG 3.95Å; E670-L674 PolarHBondContact O-N 2.82Å; E670-L674 VanDerWaalsContact O-N 3.09Å; K671-L674 WeakPolarHBondContact O-CB 3.39Å; K671-L674 PolarHBondContact O-N 3.29Å; R672-L674 VanDerWaalsContact C-N 3.29Å; R672-L674 PolarHBondContact O-N 3.02Å; L674-A676 PolarHBondContact O-N 2.94Å; L674-Q677 WeakPolarHBondContact O-CB 3.21Å; L674-Q677 PolarHBondContact O-N 2.79Å; L674-S678 PolarHBondContact O-N 2.87Å; L674-S678 PolarHBondContact O-OG 2.88Å; L674-S678 VanDerWaalsContact O-OG 3.08Å |
| 675 | L | 94.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.5 | -43.7 | 177 | -72.4 | 169.6 | 0 | 0 | 0 | 112.3 | L642 L643 A661 V666 K671 R672 Q677 S678 G679 V680 I683 | L642-L675 HydrophobicContact CB-CD2 4.42Å; L642-L675 HydrophobicContact CD2-CD2 3.71Å; L642-L675 HydrophobicContact CG-CD2 4.05Å; L643-L675 HydrophobicContact CD2-CD2 3.64Å; L643-L675 HydrophobicContact CD2-CG 3.95Å; L643-L675 HydrophobicContact CG-CD2 3.87Å; L643-L675 HydrophobicContact CG-CG 4.33Å; A661-L675 HydrophobicContact CB-CD1 4.36Å; V666-L675 HydrophobicContact CG1-CD1 3.8Å; K671-L675 WeakPolarHBondContact O-CG 3.15Å; K671-L675 PolarHBondContact O-N 3.42Å; R672-L675 PolarHBondContact O-N 3Å; L675-Q677 VanDerWaalsContact C-N 3.33Å; L675-Q677 PolarHBondContact O-N 2.76Å; L675-S678 PolarHBondContact O-N 3.27Å; L675-G679 PolarHBondContact O-N 2.9Å; L675-V680 HydrophobicContact CB-CB 4.49Å; L675-V680 HydrophobicContact CB-CG2 4.06Å; L675-V680 HydrophobicContact CD2-CG2 4.17Å; L675-V680 WeakPolarHBondContact O-CB 3.47Å; L675-V680 WeakPolarHBondContact O-CG2 3.32Å; L675-V680 PolarHBondContact O-N 3.29Å; L675-V680 VanDerWaalsContact O-N 3.15Å; L675-I683 HydrophobicContact CB-CD1 4.26Å |
| 676 | A | 92.6 | Very high | 94.6 | Very high | 30 Ų | 30 | 39.4 Ų | 39.4 | 25% | 0.248 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.2 | -40 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | R672 I673 L674 S678 G679 I683 | R672-A676 WeakPolarHBondContact O-CB 3.37Å; R672-A676 PolarHBondContact O-N 3.21Å; I673-A676 PolarHBondContact O-N 3.12Å; L674-A676 PolarHBondContact O-N 2.94Å; A676-S678 VanDerWaalsContact C-N 3.33Å; A676-G679 PolarHBondContact O-N 2.96Å; A676-G679 VanDerWaalsContact O-N 3.16Å; A676-I683 HydrophobicContact CB-CD1 4.27Å |
| 677 | Q | 92.7 | Very high | 94.5 | Very high | 149 Ų | 149 | 39.7 Ų | 39.7 | 70% | 0.696 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -66.9 | -32.2 | 175 | -73.9 | 172.4 | -3.4 | 0 | 0 | 112.9 | I673 L674 L675 G679 | I673-Q677 HydrophobicContact CG2-CG 4.4Å; I673-Q677 WeakPolarHBondContact O-CB 2.85Å; I673-Q677 VanDerWaalsContact O-CG 3.24Å; I673-Q677 WeakPolarHBondContact O-CG 3.3Å; I673-Q677 PolarHBondContact O-N 2.99Å; L674-Q677 WeakPolarHBondContact O-CB 3.21Å; L674-Q677 PolarHBondContact O-N 2.79Å; L675-Q677 VanDerWaalsContact C-N 3.33Å; L675-Q677 PolarHBondContact O-N 2.76Å; Q677-G679 PolarHBondContact O-N 3.27Å |
| 678 | S | 92 | Very high | 94.3 | Very high | 46 Ų | 46 | 37.9 Ų | 37.9 | 32% | 0.322 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -5.1 | 173.4 | -57.6 | 0 | 0 | 0 | 0 | 113.7 | I649 L674 L675 A676 | I649-S678 WeakPolarHBondContact CG2-O 3.47Å; L674-S678 PolarHBondContact O-N 2.87Å; L674-S678 PolarHBondContact O-OG 2.88Å; L674-S678 VanDerWaalsContact O-OG 3.08Å; L675-S678 PolarHBondContact O-N 3.27Å; A676-S678 VanDerWaalsContact C-N 3.33Å |
| 679 | G | 94.1 | Very high | 94.2 | Very high | 29 Ų | 29 | 36.6 Ų | 36.6 | 30% | 0.299 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 95.8 | 14.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | H653 L675 A676 Q677 D681 | H653-G679 PolarHBondContact CE1-O 2.79Å; L675-G679 PolarHBondContact O-N 2.9Å; A676-G679 PolarHBondContact O-N 2.96Å; A676-G679 VanDerWaalsContact O-N 3.16Å; Q677-G679 PolarHBondContact O-N 3.27Å; G679-D681 PolarHBondContact O-N 2.9Å |
| 680 | V | 96.3 | Very high | 93.8 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.024 | 20% | 0.203 | C | C | . | . | trans | -54.5 | 135.4 | 170.4 | 173 | 0 | 0 | 0 | 0 | 110.1 | A398 L642 I649 V659 A661 L675 G682 I683 | A398-V680 VanDerWaalsContact CB-O 3.28Å; A398-V680 WeakPolarHBondContact CB-O 3.19Å; L642-V680 HydrophobicContact CD2-CG2 3.73Å; I649-V680 HydrophobicContact CD1-CG2 3.64Å; I649-V680 HydrophobicContact CG1-CG2 4.47Å; V659-V680 WeakPolarHBondContact O-CG1 3.41Å; A661-V680 HydrophobicContact CB-CG1 3.76Å; A661-V680 HydrophobicContact CB-CG2 4.3Å; L675-V680 HydrophobicContact CB-CB 4.49Å; L675-V680 HydrophobicContact CB-CG2 4.06Å; L675-V680 HydrophobicContact CD2-CG2 4.17Å; L675-V680 WeakPolarHBondContact O-CB 3.47Å; L675-V680 WeakPolarHBondContact O-CG2 3.32Å; L675-V680 PolarHBondContact O-N 3.29Å; L675-V680 VanDerWaalsContact O-N 3.15Å; V680-G682 WeakPolarHBondContact CG1-O 3.41Å; V680-I683 HydrophobicContact CG1-CG1 3.94Å | ||
| 681 | D | 97.3 | Very high | 93 | Very high | 25 Ų | 25 | 35.6 Ų | 35.6 | 13% | 0.134 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -82.9 | -31.3 | -174.2 | -71.2 | -76 | 0 | 0 | 0 | 113 | W392 A398 V399 H653 V658 V659 G679 | W392-D681 HydrophobicContact CZ2-CB 3.61Å; W392-D681 PolarHBondContact NE1-OD1 3.07Å; A398-D681 VanDerWaalsContact CA-O 3.28Å; A398-D681 WeakPolarHBondContact CA-O 3.46Å; V399-D681 PolarHBondContact N-O 2.82Å; H653-D681 IonicContact CD2-OD2 2.8Å; H653-D681 IonicContact CE1-OD2 2.98Å; H653-D681 IonicContact NE2-OD2 3.22Å; H653-D681 PolarHBondContact NE2-OD2 2.86Å; V658-D681 HydrophobicContact CG1-CB 3.6Å; V659-D681 PolarHBondContact N-OD2 3.47Å; V659-D681 WeakPolarHBondContact O-CB 3.42Å; V659-D681 PolarHBondContact O-N 3.05Å; G679-D681 PolarHBondContact O-N 2.9Å |
| 682 | G | 97.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 146.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | V399 V659 L660 A661 V680 | V399-G682 WeakPolarHBondContact O-CA 3.5Å; V659-G682 PolarHBondContact O-N 3.38Å; L660-G682 CarbonylContact C-O 3.55Å; L660-G682 VanDerWaalsContact CA-O 3.3Å; L660-G682 WeakPolarHBondContact CA-O 2.96Å; A661-G682 PolarHBondContact N-O 2.95Å; V680-G682 WeakPolarHBondContact CG1-O 3.41Å |
| 683 | I | 97.5 | Very high | 92.4 | Very high | 9 Ų | 9 | 34.3 Ų | 34.3 | 5% | 0.046 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 121.9 | -176.9 | -58.8 | 176.1 | 0 | 0 | 0 | 108.2 | A398 V399 I401 V666 R672 L675 A676 V680 Y685 | A398-I683 HydrophobicContact CB-CD1 4.02Å; A398-I683 HydrophobicContact CB-CG1 3.9Å; V399-I683 PolarHBondContact O-N 2.95Å; I401-I683 WeakPolarHBondContact CB-O 3.24Å; I401-I683 PolarHBondContact N-O 2.83Å; V666-I683 HydrophobicContact CB-CG2 3.73Å; V666-I683 HydrophobicContact CG1-CG2 3.69Å; R672-I683 HydrophobicContact CB-CD1 4.36Å; R672-I683 HydrophobicContact CG-CG2 4.2Å; L675-I683 HydrophobicContact CB-CD1 4.26Å; A676-I683 HydrophobicContact CB-CD1 4.27Å; V680-I683 HydrophobicContact CG1-CG1 3.94Å; I683-Y685 HydrophobicContact CB-CD1 4.38Å; I683-Y685 HydrophobicContact CG2-CD1 3.87Å; I683-Y685 WeakPolarHBondContact O-CD1 3.4Å |
| 684 | I | 97.7 | Very high | 92.3 | Very high | 9 Ų | 9 | 36.8 Ų | 36.8 | 5% | 0.046 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 108.9 | 179.1 | -54.5 | 170.3 | 0 | 0 | 0 | 107.7 | I401 H403 E444 L660 A661 W662 V666 | I401-I684 HydrophobicContact CB-CB 4.37Å; I401-I684 HydrophobicContact CB-CG1 3.87Å; I401-I684 HydrophobicContact CD1-CG1 3.93Å; I401-I684 HydrophobicContact CG1-CG1 4.38Å; I401-I684 HydrophobicContact CG2-CG1 3.92Å; I401-I684 HydrophobicContact CG2-CG2 4.4Å; I401-I684 WeakPolarHBondContact O-CA 3.25Å; H403-I684 HydrophobicContact CB-CG2 3.78Å; E444-I684 HydrophobicContact CB-CG2 3.92Å; E444-I684 HydrophobicContact CG-CG2 4.21Å; L660-I684 HydrophobicContact CB-CD1 4.33Å; A661-I684 PolarHBondContact O-N 3.23Å; W662-I684 HydrophobicContact CB-CB 4.11Å; W662-I684 HydrophobicContact CB-CD1 4.36Å; V666-I684 WeakPolarHBondContact CG2-O 3.45Å |
| 685 | Y | 95.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.008 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 160.4 | -173.9 | 66.9 | -77.9 | 0 | 0 | 0 | 112.9 | D400 I401 H403 V666 I683 V688 | D400-Y685 HydrophobicContact CB-CE1 4.02Å; D400-Y685 VanDerWaalsContact OD1-CE1 3.27Å; D400-Y685 WeakPolarHBondContact OD1-CE1 3.29Å; D400-Y685 PolarHBondContact OD1-OH 3.04Å; I401-Y685 PolarHBondContact O-N 3.29Å; H403-Y685 PolarHBondContact N-O 3.36Å; V666-Y685 WeakPolarHBondContact O-CB 2.99Å; I683-Y685 HydrophobicContact CB-CD1 4.38Å; I683-Y685 HydrophobicContact CG2-CD1 3.87Å; I683-Y685 WeakPolarHBondContact O-CD1 3.4Å; Y685-V688 HydrophobicContact CE2-CB 4.47Å; Y685-V688 HydrophobicContact CE2-CG2 4.19Å |
| 686 | D | 94.4 | Very high | 92.1 | Very high | 11 Ų | 11 | 36.1 Ų | 36.1 | 6% | 0.059 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -79 | 156.6 | 177.1 | -65.7 | -13.4 | 0 | 0 | 0 | 110.7 | H403 G407 T408 N667 | H403-D686 WeakPolarHBondContact CB-OD1 3.5Å; H403-D686 IonicContact CE1-OD1 3.33Å; H403-D686 IonicContact CG-OD1 2.7Å; H403-D686 IonicContact ND1-OD1 3.43Å; H403-D686 PolarHBondContact ND1-OD1 2.69Å; G407-D686 WeakPolarHBondContact CA-OD1 3.27Å; T408-D686 PolarHBondContact N-OD1 3.36Å; T408-D686 PolarHBondContact N-OD2 2.81Å; T408-D686 PolarHBondContact OG1-OD2 3.05Å; N667-D686 WeakPolarHBondContact OD1-CB 3.43Å; N667-D686 PolarHBondContact OD1-N 3.06Å |
| 687 | C | 91.4 | Very high | 92.1 | Very high | 6 Ų | 6 | 36.5 Ų | 36.5 | 4% | 0.041 | 21% | 0.208 | C | C | . | . | trans | 55.4 | 54.8 | 171.2 | -56.8 | 0 | 0 | 0 | 0 | 115.1 | M406 N689 E690 | M406-C687 WeakPolarHBondContact O-CA 3.32Å; M406-C687 PolarHBondContact O-N 3.34Å; C687-N689 VanDerWaalsContact C-OD1 3.31Å; C687-N689 WeakPolarHBondContact CA-OD1 3.19Å; C687-N689 PolarHBondContact O-N 3.36Å; C687-N689 PolarHBondContact O-OD1 2.7Å; C687-E690 HydrophobicContact CB-CG 3.81Å; C687-E690 WeakPolarHBondContact O-CB 3.48Å; C687-E690 WeakPolarHBondContact O-CG 3.47Å; C687-E690 PolarHBondContact O-N 2.75Å | ||
| 688 | V | 91.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -52.3 | -26.8 | 176.4 | -179.5 | 0 | 0 | 0 | 0 | 113.5 | A440 Y685 E690 K692 | A440-V688 HydrophobicContact CB-CG1 4.21Å; Y685-V688 HydrophobicContact CE2-CB 4.47Å; Y685-V688 HydrophobicContact CE2-CG2 4.19Å; V688-E690 PolarHBondContact O-N 3.17Å; V688-K692 HydrophobicContact CG1-CD 4.02Å; V688-K692 PolarHBondContact O-N 3.47Å |
| 689 | N | 89.9 | Confident | 92.2 | Very high | 41 Ų | 41 | 28.5 Ų | 28.5 | 22% | 0.219 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -66.8 | -11.6 | 177.1 | 62.8 | -26.1 | 0 | 0 | 0 | 115 | M406 H438 C687 | M406-N689 HydrophobicContact CE-CB 3.67Å; M406-N689 WeakPolarHBondContact CE-OD1 3.46Å; H438-N689 HydrophobicContact CB-CB 4.19Å; H438-N689 WeakPolarHBondContact CD2-CB 3.4Å; C687-N689 VanDerWaalsContact C-OD1 3.31Å; C687-N689 WeakPolarHBondContact CA-OD1 3.19Å; C687-N689 PolarHBondContact O-N 3.36Å; C687-N689 PolarHBondContact O-OD1 2.7Å |
| 690 | E | 84.2 | Confident | 92 | Very high | 70 Ų | 70 | 27.5 Ų | 27.5 | 33% | 0.327 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | -67.4 | -41.7 | 178 | -68.9 | -165 | 139.8 | 0 | 0 | 113.2 | K420 C687 V688 | K420-E690 HydrophobicContact CD-CG 4.48Å; K420-E690 WeakPolarHBondContact CD-OE1 3.47Å; K420-E690 WeakPolarHBondContact CE-OE1 3.49Å; K420-E690 IonicContact NZ-OE1 3.45Å; K420-E690 PolarHBondContact NZ-OE1 2.78Å; C687-E690 HydrophobicContact CB-CG 3.81Å; C687-E690 WeakPolarHBondContact O-CB 3.48Å; C687-E690 WeakPolarHBondContact O-CG 3.47Å; C687-E690 PolarHBondContact O-N 2.75Å; V688-E690 PolarHBondContact O-N 3.17Å |
| 691 | N | 78.3 | Confident | 91.8 | Very high | 58 Ų | 58 | 29.2 Ų | 29.2 | 31% | 0.31 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -12.4 | -174.4 | -44.4 | -61.9 | 0 | 0 | 0 | 112.3 | R672 | R672-N691 PolarHBondContact NH2-ND2 3.43Å; R672-N691 PolarHBondContact NH2-OD1 3.26Å |
| 692 | K | 87.2 | Confident | 91.4 | Very high | 21 Ų | 21 | 33.1 Ų | 33.1 | 9% | 0.091 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -120.6 | 115.9 | -175.4 | -64.2 | -170.7 | 174.4 | 179.4 | 0 | 110.1 | D400 H438 G439 V688 T696 | D400-K692 WeakPolarHBondContact OD2-CE 3.34Å; D400-K692 IonicContact OD2-NZ 3.91Å; D400-K692 PolarHBondContact OD2-NZ 3.34Å; H438-K692 HydrophobicContact CB-CB 4.38Å; H438-K692 PolarHBondContact CD2-O 3.09Å; H438-K692 VanDerWaalsContact CD2-O 3.3Å; H438-K692 WeakPolarHBondContact O-CB 3.5Å; H438-K692 WeakPolarHBondContact O-CD 3.46Å; G439-K692 PolarHBondContact O-NZ 2.92Å; V688-K692 HydrophobicContact CG1-CD 4.02Å; V688-K692 PolarHBondContact O-N 3.47Å; K692-T696 HydrophobicContact CB-CG2 4.26Å; K692-T696 HydrophobicContact CD-CG2 4.13Å; K692-T696 HydrophobicContact CG-CG2 4.3Å |
| 693 | A | 89.3 | Confident | 90.9 | Very high | 37 Ų | 37 | 34.7 Ų | 34.7 | 31% | 0.306 | 18% | 0.182 | S | C | . | . | trans | -61.6 | 147.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | G695 T696 P716 | A693-G695 PolarHBondContact O-N 2.85Å; A693-T696 PolarHBondContact N-OG1 3.34Å; A693-T696 VanDerWaalsContact O-CB 3.28Å; A693-T696 WeakPolarHBondContact O-CB 3.41Å; A693-T696 PolarHBondContact O-N 2.91Å; A693-T696 PolarHBondContact O-OG1 2.8Å; A693-P716 HydrophobicContact CB-CB 4.39Å | ||
| 694 | K | 91.1 | Very high | 90.3 | Very high | 141 Ų | 141 | 40 Ų | 40 | 61% | 0.613 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 130.9 | 171.6 | -175 | 168.5 | 179.6 | 158.3 | 0 | 110.1 | Q437 | Q437-K694 HydrophobicContact CB-CG 4.47Å; Q437-K694 WeakPolarHBondContact O-CA 3.33Å |
| 695 | G | 91.3 | Very high | 89.8 | Confident | 45 Ų | 45 | 43.5 Ų | 43.5 | 46% | 0.464 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 92.4 | -0.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q437 A693 L697 | Q437-G695 PolarHBondContact O-N 3.49Å; A693-G695 PolarHBondContact O-N 2.85Å; G695-L697 PolarHBondContact O-N 2.82Å |
| 696 | T | 93.1 | Very high | 89.3 | Confident | 26 Ų | 26 | 49.4 Ų | 49.4 | 16% | 0.16 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -59.4 | 132.7 | 170.1 | -60.3 | 0 | 0 | 0 | 0 | 109.8 | G439 K692 A693 | G439-T696 WeakPolarHBondContact CA-O 3.34Å; G439-T696 PolarHBondContact N-O 2.78Å; K692-T696 HydrophobicContact CB-CG2 4.26Å; K692-T696 HydrophobicContact CD-CG2 4.13Å; K692-T696 HydrophobicContact CG-CG2 4.3Å; A693-T696 PolarHBondContact N-OG1 3.34Å; A693-T696 VanDerWaalsContact O-CB 3.28Å; A693-T696 WeakPolarHBondContact O-CB 3.41Å; A693-T696 PolarHBondContact O-N 2.91Å; A693-T696 PolarHBondContact O-OG1 2.8Å |
| 697 | L | 92.4 | Very high | 88.7 | Confident | 37 Ų | 37 | 56.4 Ų | 56.4 | 19% | 0.194 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -86.9 | 133.8 | 178 | -65.6 | 176.8 | 0 | 0 | 0 | 110.8 | G695 K701 R702 F705 T715 | G695-L697 PolarHBondContact O-N 2.82Å; L697-K701 HydrophobicContact CD2-CB 4.44Å; L697-K701 HydrophobicContact CD2-CD 4.3Å; L697-R702 HydrophobicContact CB-CG 3.67Å; L697-R702 HydrophobicContact CD1-CG 4.2Å; L697-R702 PolarHBondContact O-NE 2.93Å; L697-F705 HydrophobicContact CD1-CD2 4Å; L697-F705 HydrophobicContact CD1-CE2 3.88Å; L697-F705 HydrophobicContact CD2-CE2 4.19Å; L697-T715 HydrophobicContact CB-CG2 4.39Å; L697-T715 HydrophobicContact CD1-CG2 4.2Å; L697-T715 HydrophobicContact CG-CG2 4.22Å |
| 698 | S | 93.4 | Very high | 88.4 | Confident | 5 Ų | 5 | 61.4 Ų | 61.4 | 4% | 0.035 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 155.5 | 167.8 | 70.1 | 0 | 0 | 0 | 0 | 111 | A440 D441 F700 K701 R702 | A440-S698 VanDerWaalsContact O-CB 3.27Å; A440-S698 WeakPolarHBondContact O-CB 3.47Å; D441-S698 WeakPolarHBondContact OD1-CA 3.43Å; D441-S698 WeakPolarHBondContact OD1-CB 3.37Å; S698-F700 PolarHBondContact O-N 3.13Å; S698-K701 PolarHBondContact O-N 2.85Å; S698-K701 WeakPolarHBondContact OG-CG 3.13Å; S698-K701 PolarHBondContact OG-N 3.13Å; S698-R702 WeakPolarHBondContact O-CG 3.48Å; S698-R702 PolarHBondContact O-N 2.86Å; S698-R702 PolarHBondContact O-NE 2.98Å |
| 699 | V | 92.5 | Very high | 87.8 | Confident | 22 Ų | 22 | 64.7 Ų | 64.7 | 13% | 0.133 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -53.4 | -42.6 | 173.6 | 176.4 | 0 | 0 | 0 | 0 | 110 | D441 R702 E703 | D441-V699 WeakPolarHBondContact OD1-CB 3.01Å; D441-V699 WeakPolarHBondContact OD1-CG2 2.88Å; D441-V699 PolarHBondContact OD1-N 2.9Å; V699-R702 PolarHBondContact O-N 2.81Å; V699-E703 HydrophobicContact CG1-CG 4.2Å; V699-E703 WeakPolarHBondContact O-CB 3.35Å; V699-E703 VanDerWaalsContact O-CG 3.24Å; V699-E703 WeakPolarHBondContact O-CG 3.47Å; V699-E703 PolarHBondContact O-N 3.28Å |
| 700 | F | 91.4 | Very high | 86.9 | Confident | 8 Ų | 8 | 67.1 Ų | 67.1 | 4% | 0.035 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65 | -42 | -179.6 | -56.5 | -42.6 | 0 | 0 | 0 | 113.4 | D441 F442 S698 E703 R704 | D441-F700 HydrophobicContact CB-CD2 4.47Å; D441-F700 HydrophobicContact CB-CE2 4.07Å; D441-F700 WeakPolarHBondContact O-CD2 3.16Å; D441-F700 WeakPolarHBondContact O-CE2 3.43Å; F442-F700 AromaticContact CD2-CE2 3.85Å; F442-F700 HydrophobicContact CD2-CE2 3.85Å; F442-F700 HydrophobicContact CD2-CZ 4.07Å; F442-F700 AromaticContact CE2-CE2 3.49Å; F442-F700 HydrophobicContact CE2-CE2 3.49Å; F442-F700 VanDerWaalsContact CE2-CE2 3.49Å; F442-F700 AromaticContact CE2-CZ 3.29Å; F442-F700 HydrophobicContact CE2-CZ 3.29Å; F442-F700 AromaticContact CZ-CE2 3.84Å; F442-F700 HydrophobicContact CZ-CE2 3.84Å; F442-F700 AromaticContact CZ-CZ 3.65Å; F442-F700 HydrophobicContact CZ-CZ 3.65Å; S698-F700 PolarHBondContact O-N 3.13Å; F700-E703 PolarHBondContact O-N 2.85Å; F700-R704 WeakPolarHBondContact O-CB 3.26Å; F700-R704 PolarHBondContact O-N 2.76Å |
| 701 | K | 90.4 | Very high | 85.6 | Confident | 41 Ų | 41 | 69.3 Ų | 69.3 | 18% | 0.178 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.6 | -43.1 | 175.1 | -75.8 | -177.3 | 176.9 | -178.8 | 0 | 111.3 | D533 D535 L697 S698 R704 F705 | D533-K701 WeakPolarHBondContact OD1-CE 3.41Å; D533-K701 IonicContact OD1-NZ 3.02Å; D533-K701 VanDerWaalsContact OD2-CE 3.28Å; D533-K701 WeakPolarHBondContact OD2-CE 3.48Å; D533-K701 IonicContact OD2-NZ 3.02Å; D533-K701 PolarHBondContact OD2-NZ 3.01Å; D535-K701 HydrophobicContact CB-CD 4.43Å; D535-K701 HydrophobicContact CB-CG 3.72Å; L697-K701 HydrophobicContact CD2-CB 4.44Å; L697-K701 HydrophobicContact CD2-CD 4.3Å; S698-K701 PolarHBondContact O-N 2.85Å; S698-K701 WeakPolarHBondContact OG-CG 3.13Å; S698-K701 PolarHBondContact OG-N 3.13Å; K701-R704 PolarHBondContact O-N 2.77Å; K701-F705 HydrophobicContact CB-CE2 4.27Å; K701-F705 WeakPolarHBondContact O-CD2 3.4Å; K701-F705 WeakPolarHBondContact O-CG 3.49Å; K701-F705 PolarHBondContact O-N 2.9Å |
| 702 | R | 89.4 | Confident | 84.3 | Confident | 106 Ų | 106 | 70.6 Ų | 70.6 | 40% | 0.4 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59 | -48.3 | 176 | -74.7 | -176.9 | -83.7 | 134.3 | -7.5 | 111.6 | L697 S698 V699 R704 F705 L706 | L697-R702 HydrophobicContact CB-CG 3.67Å; L697-R702 HydrophobicContact CD1-CG 4.2Å; L697-R702 PolarHBondContact O-NE 2.93Å; S698-R702 WeakPolarHBondContact O-CG 3.48Å; S698-R702 PolarHBondContact O-N 2.86Å; S698-R702 PolarHBondContact O-NE 2.98Å; V699-R702 PolarHBondContact O-N 2.81Å; R702-R704 VanDerWaalsContact C-N 3.35Å; R702-R704 PolarHBondContact O-N 2.71Å; R702-F705 PolarHBondContact O-N 3.34Å; R702-L706 WeakPolarHBondContact O-CG 3.35Å; R702-L706 PolarHBondContact O-N 3Å; R702-L706 VanDerWaalsContact O-N 3.08Å |
| 703 | E | 87.2 | Confident | 82.4 | Confident | 33 Ų | 33 | 73.5 Ų | 73.5 | 15% | 0.154 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -58.3 | -46.1 | 176.8 | -73.2 | 174.6 | 161.1 | 0 | 0 | 111.3 | K393 R395 V699 F700 F705 L706 E707 | K393-E703 WeakPolarHBondContact CE-OE1 3.33Å; K393-E703 VanDerWaalsContact NZ-CD 3.29Å; K393-E703 IonicContact NZ-OE1 3.72Å; K393-E703 PolarHBondContact NZ-OE1 2.89Å; K393-E703 IonicContact NZ-OE2 3.29Å; R395-E703 IonicContact NE-OE1 2.82Å; R395-E703 IonicContact NH2-OE1 3.86Å; R395-E703 IonicContact NH2-OE2 2.88Å; V699-E703 HydrophobicContact CG1-CG 4.2Å; V699-E703 WeakPolarHBondContact O-CB 3.35Å; V699-E703 VanDerWaalsContact O-CG 3.24Å; V699-E703 WeakPolarHBondContact O-CG 3.47Å; V699-E703 PolarHBondContact O-N 3.28Å; F700-E703 PolarHBondContact O-N 2.85Å; E703-F705 PolarHBondContact O-N 3.41Å; E703-L706 WeakPolarHBondContact O-CB 3.23Å; E703-L706 PolarHBondContact O-N 3.26Å; E703-E707 WeakPolarHBondContact O-CG 3.5Å; E703-E707 PolarHBondContact O-N 3.07Å |
| 704 | R | 85.3 | Confident | 80.3 | Confident | 121 Ų | 121 | 77.3 Ų | 77.3 | 46% | 0.457 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.6 | -40.7 | 177.5 | -175.6 | 178.4 | 177.1 | -177.1 | -2.9 | 113.2 | D535 F700 K701 R702 L706 E707 L708 | D535-R704 IonicContact OD1-CZ 2.72Å; D535-R704 IonicContact OD1-NH1 3.09Å; D535-R704 PolarHBondContact OD1-NH1 2.77Å; D535-R704 IonicContact OD2-NH1 3.77Å; D535-R704 PolarHBondContact OD2-NH1 2.73Å; F700-R704 WeakPolarHBondContact O-CB 3.26Å; F700-R704 PolarHBondContact O-N 2.76Å; K701-R704 PolarHBondContact O-N 2.77Å; R702-R704 VanDerWaalsContact C-N 3.35Å; R702-R704 PolarHBondContact O-N 2.71Å; R704-L706 VanDerWaalsContact C-N 3.33Å; R704-E707 PolarHBondContact O-N 3.49Å; R704-L708 HydrophobicContact CG-CD1 4.19Å; R704-L708 WeakPolarHBondContact O-CG 3.46Å; R704-L708 PolarHBondContact O-N 3.47Å |
| 705 | F | 86.4 | Confident | 78.1 | Confident | 82 Ų | 82 | 73.8 Ų | 73.8 | 36% | 0.36 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 175.9 | -74.8 | -56 | 0 | 0 | 0 | 111.9 | L697 K701 R702 E703 L708 G709 L710 | L697-F705 HydrophobicContact CD1-CD2 4Å; L697-F705 HydrophobicContact CD1-CE2 3.88Å; L697-F705 HydrophobicContact CD2-CE2 4.19Å; K701-F705 HydrophobicContact CB-CE2 4.27Å; K701-F705 WeakPolarHBondContact O-CD2 3.4Å; K701-F705 WeakPolarHBondContact O-CG 3.49Å; K701-F705 PolarHBondContact O-N 2.9Å; R702-F705 PolarHBondContact O-N 3.34Å; E703-F705 PolarHBondContact O-N 3.41Å; F705-L708 PolarHBondContact O-N 2.84Å; F705-G709 PolarHBondContact O-N 3.1Å; F705-L710 HydrophobicContact CB-CB 4.47Å; F705-L710 HydrophobicContact CD1-CB 4.25Å; F705-L710 HydrophobicContact CD1-CD1 3.84Å; F705-L710 HydrophobicContact CE1-CD1 4.33Å; F705-L710 PolarHBondContact O-N 3.16Å |
| 706 | L | 85.8 | Confident | 75.8 | Confident | 126 Ų | 126 | 74.7 Ų | 74.7 | 66% | 0.66 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -63.2 | -43.5 | 175.1 | -68.2 | 169 | 0 | 0 | 0 | 111.5 | R702 E703 R704 L708 G709 | R702-L706 WeakPolarHBondContact O-CG 3.35Å; R702-L706 PolarHBondContact O-N 3Å; R702-L706 VanDerWaalsContact O-N 3.08Å; E703-L706 WeakPolarHBondContact O-CB 3.23Å; E703-L706 PolarHBondContact O-N 3.26Å; R704-L706 VanDerWaalsContact C-N 3.33Å; L706-L708 VanDerWaalsContact C-N 3.26Å; L706-L708 PolarHBondContact O-N 2.83Å; L706-G709 PolarHBondContact O-N 3.36Å; L706-G709 VanDerWaalsContact O-N 3.1Å |
| 707 | E | 81.8 | Confident | 73 | Confident | 158 Ų | 158 | 78.6 Ų | 78.6 | 74% | 0.738 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -61.6 | -33 | 176.2 | -74.2 | 173 | -175.6 | 0 | 0 | 112.9 | E703 R704 G709 | E703-E707 WeakPolarHBondContact O-CG 3.5Å; E703-E707 PolarHBondContact O-N 3.07Å; R704-E707 PolarHBondContact O-N 3.49Å; E707-G709 VanDerWaalsContact C-N 3.3Å; E707-G709 PolarHBondContact O-N 3.42Å |
| 708 | L | 85.5 | Confident | 70.3 | Confident | 112 Ų | 112 | 80 Ų | 80 | 59% | 0.586 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | 1.8 | 177.3 | -67.9 | 172.1 | 0 | 0 | 0 | 113.8 | R704 F705 L706 L710 | R704-L708 HydrophobicContact CG-CD1 4.19Å; R704-L708 WeakPolarHBondContact O-CG 3.46Å; R704-L708 PolarHBondContact O-N 3.47Å; F705-L708 PolarHBondContact O-N 2.84Å; L706-L708 VanDerWaalsContact C-N 3.26Å; L706-L708 PolarHBondContact O-N 2.83Å; L708-L710 HydrophobicContact CB-CD1 4.08Å; L708-L710 HydrophobicContact CB-CG 4.24Å; L708-L710 HydrophobicContact CD1-CD1 4.41Å; L708-L710 PolarHBondContact O-N 2.86Å |
| 709 | G | 77.6 | Confident | 67.3 | Low | 69 Ų | 69 | 84.8 Ų | 84.8 | 71% | 0.711 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.8 | 18.7 | -178 | 0 | 0 | 0 | 0 | 0 | 114.1 | F705 L706 E707 | F705-G709 PolarHBondContact O-N 3.1Å; L706-G709 PolarHBondContact O-N 3.36Å; L706-G709 VanDerWaalsContact O-N 3.1Å; E707-G709 VanDerWaalsContact C-N 3.3Å; E707-G709 PolarHBondContact O-N 3.42Å |
| 710 | L | 72.2 | Confident | 64.4 | Low | 91 Ų | 91 | 90.1 Ų | 90.1 | 48% | 0.476 | 53% | 0.534 | S | S | . | . | trans | -86.2 | 116.4 | 176.5 | -67 | 167.5 | 0 | 0 | 0 | 108.2 | F705 L708 S712 | F705-L710 HydrophobicContact CB-CB 4.47Å; F705-L710 HydrophobicContact CD1-CB 4.25Å; F705-L710 HydrophobicContact CD1-CD1 3.84Å; F705-L710 HydrophobicContact CE1-CD1 4.33Å; F705-L710 PolarHBondContact O-N 3.16Å; L708-L710 HydrophobicContact CB-CD1 4.08Å; L708-L710 HydrophobicContact CB-CG 4.24Å; L708-L710 HydrophobicContact CD1-CD1 4.41Å; L708-L710 PolarHBondContact O-N 2.86Å; L710-S712 PolarHBondContact O-N 3.11Å | ||
| 711 | S | 56.7 | Low | 61.7 | Low | 116 Ų | 116 | 96 Ų | 96 | 81% | 0.811 | 56% | 0.562 | S | S | * | * | trans | -59.6 | 131.5 | 173.9 | 55.1 | 0 | 0 | 0 | 0 | 109.3 | A713 | S711-A713 PolarHBondContact O-N 2.96Š| ||
| 712 | S | 51.2 | Low | 58.6 | Low | 85 Ų | 85 | 99.6 Ų | 99.6 | 59% | 0.594 | 59% | 0.592 | S | S | * | * | trans | -53.5 | 113.7 | -176.9 | 56 | 0 | 0 | 0 | 0 | 110 | L710 S714 | L710-S712 PolarHBondContact O-N 3.11Å; S712-S714 PolarHBondContact O-N 3.43Å | ||
| 713 | A | 46.8 | Very low | 55.8 | Low | 82 Ų | 82 | 99.2 Ų | 99.2 | 68% | 0.678 | 60% | 0.602 | S | S | * | * | trans | -52.5 | 129.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | S711 T715 | S711-A713 PolarHBondContact O-N 2.96Å; A713-T715 PolarHBondContact O-N 2.78Å | ||
| 714 | S | 44.7 | Very low | 53 | Low | 117 Ų | 117 | 107.6 Ų | 107.6 | 82% | 0.818 | 64% | 0.637 | S | S | * | * | trans | -42.6 | 102.2 | -176.2 | 50.8 | 0 | 0 | 0 | 0 | 111.2 | S712 | S712-S714 PolarHBondContact O-N 3.43Š| ||
| 715 | T | 45.9 | Very low | 50.4 | Low | 68 Ų | 68 | 109.4 Ų | 109.4 | 42% | 0.417 | 66% | 0.655 | S | S | . | * | P | Polyproline II helix | trans | -63.8 | 135 | 171.2 | 31.5 | 0 | 0 | 0 | 0 | 108.2 | L697 A713 S717 | L697-T715 HydrophobicContact CB-CG2 4.39Å; L697-T715 HydrophobicContact CD1-CG2 4.2Å; L697-T715 HydrophobicContact CG-CG2 4.22Å; A713-T715 PolarHBondContact O-N 2.78Å; T715-S717 PolarHBondContact O-N 3.45Å; T715-S717 VanDerWaalsContact O-N 3.12Å |
| 716 | P | 41.4 | Very low | 47.7 | Very low | 64 Ų | 64 | 113.1 Ų | 113.1 | 42% | 0.416 | 68% | 0.678 | S | S | . | * | P | Polyproline II helix | trans | -57.7 | 120.7 | 166.4 | -4.9 | 14.3 | 0 | 0 | 0 | 107.8 | A693 S718 | A693-P716 HydrophobicContact CB-CB 4.39Å; P716-S718 PolarHBondContact O-N 2.82Å |
| 717 | S | 34.8 | Very low | 44.9 | Very low | 108 Ų | 108 | 113.3 Ų | 113.3 | 76% | 0.755 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 128.2 | 172.8 | 49.8 | 0 | 0 | 0 | 0 | 109 | T715 | T715-S717 PolarHBondContact O-N 3.45Å; T715-S717 VanDerWaalsContact O-N 3.12Å |
| 718 | S | 35 | Very low | 42.3 | Very low | 67 Ų | 67 | 111.2 Ų | 111.2 | 47% | 0.469 | 69% | 0.688 | S | S | . | * | P | Polyproline II helix | trans | -52.1 | 149.2 | 166.9 | 48.9 | 0 | 0 | 0 | 0 | 110.1 | P716 T720 | P716-S718 PolarHBondContact O-N 2.82Å; S718-T720 PolarHBondContact O-N 2.92Å |
| 719 | P | 32 | Very low | 39.8 | Very low | 104 Ų | 104 | 113.9 Ų | 113.9 | 68% | 0.675 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 116.6 | 173.6 | -9.5 | 23.6 | 0 | 0 | 0 | 108.4 | E721 | P719-E721 PolarHBondContact O-N 2.85Å; P719-E721 VanDerWaalsContact O-N 3.13Å |
| 720 | T | 31.3 | Very low | 37.4 | Very low | 134 Ų | 134 | 115.7 Ų | 115.7 | 82% | 0.822 | 70% | 0.704 | S | S | * | * | trans | -68.6 | 107 | 169.7 | -27.2 | 0 | 0 | 0 | 0 | 107.4 | S718 S722 | S718-T720 PolarHBondContact O-N 2.92Å; T720-S722 PolarHBondContact O-N 3.39Å | ||
| 721 | E | 34.1 | Very low | 35.5 | Very low | 133 Ų | 133 | 116.5 Ų | 116.5 | 62% | 0.621 | 72% | 0.718 | S | S | * | * | trans | -64.9 | 108.8 | 168.7 | -87.3 | -172 | 150.7 | 0 | 0 | 109.4 | P719 T723 | P719-E721 PolarHBondContact O-N 2.85Å; P719-E721 VanDerWaalsContact O-N 3.13Å; E721-T723 VanDerWaalsContact C-N 3.28Å; E721-T723 PolarHBondContact O-N 3.38Å; E721-T723 VanDerWaalsContact O-N 3.12Å | ||
| 722 | S | 25.5 | Very low | 34.3 | Very low | 116 Ų | 116 | 119.6 Ų | 119.6 | 81% | 0.811 | 72% | 0.724 | S | S | * | * | trans | -78.8 | 77.8 | 165.5 | 60.2 | 0 | 0 | 0 | 0 | 109.3 | T720 | T720-S722 PolarHBondContact O-N 3.39Š| ||
| 723 | T | 31.2 | Very low | 33.1 | Very low | 98 Ų | 98 | 120.5 Ų | 120.5 | 60% | 0.601 | 73% | 0.73 | S | S | * | * | trans | -83.3 | 112.9 | 164.3 | 22.6 | 0 | 0 | 0 | 0 | 109 | E721 L725 | E721-T723 VanDerWaalsContact C-N 3.28Å; E721-T723 PolarHBondContact O-N 3.38Å; E721-T723 VanDerWaalsContact O-N 3.12Å; T723-L725 PolarHBondContact O-N 3.4Å | ||
| 724 | K | 28.6 | Very low | 32.3 | Very low | 209 Ų | 209 | 124.3 Ų | 124.3 | 91% | 0.909 | 74% | 0.738 | S | S | * | * | trans | -58.5 | 97.1 | 169.2 | -74 | 175.8 | 176.5 | 174.4 | 0 | 109 | ||||
| 725 | L | 30.4 | Very low | 31.6 | Very low | 158 Ų | 158 | 126 Ų | 126 | 83% | 0.827 | 74% | 0.736 | S | S | * | * | trans | -95.5 | 131.9 | 166.1 | -76.3 | 169 | 0 | 0 | 0 | 110.2 | T723 | T723-L725 PolarHBondContact O-N 3.4Š| ||
| 726 | L | 28.6 | Very low | 30.7 | Very low | 160 Ų | 160 | 127.2 Ų | 127.2 | 84% | 0.838 | 75% | 0.748 | S | S | * | * | trans | -52.3 | 146.2 | -179.7 | -85.3 | 79.1 | 0 | 0 | 0 | 112.9 | ||||
| 727 | P | 28.3 | Very low | 29.9 | Very low | 131 Ų | 131 | 129 Ų | 129 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | trans | -91.8 | 111.6 | 174.3 | 33.6 | -27 | 0 | 0 | 0 | 111.6 | ||||
| 728 | C | 27.5 | Very low | 29.6 | Very low | 114 Ų | 114 | 131.5 Ų | 131.5 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | trans | -179.1 | 112.3 | 148.7 | -129.3 | 0 | 0 | 0 | 0 | 106 | ||||
| 729 | L | 32.5 | Very low | 29.2 | Very low | 167 Ų | 167 | 135.2 Ų | 135.2 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | -150.5 | 122.9 | 63.9 | -79.9 | 154.9 | 0 | 0 | 0 | 110.2 | |||||
| 730 | S | 27.4 | Very low | 29.1 | Very low | 107 Ų | 107 | 137.5 Ų | 137.5 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | -68.5 | 126.6 | 162.5 | 48.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 731 | S | 31.3 | Very low | 28.8 | Very low | 109 Ų | 109 | 138 Ų | 138 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | 165.9 | 101.3 | 119.2 | 44.6 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 732 | L | 31.6 | Very low | 28.6 | Very low | 181 Ų | 181 | 138.9 Ų | 138.9 | 95% | 0.948 | 79% | 0.793 | S | S | * | * | 178.8 | 95.3 | 123.2 | -91.2 | 160.6 | 0 | 0 | 0 | 108.3 | |||||
| 733 | S | 26.8 | Very low | 28.7 | Very low | 104 Ų | 104 | 140.9 Ų | 140.9 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -86 | 145.9 | 169.8 | 52.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 734 | L | 29.3 | Very low | 28.5 | Very low | 161 Ų | 161 | 143.2 Ų | 143.2 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | 143 | 113.8 | 153.6 | -84.4 | 152.7 | 0 | 0 | 0 | 106.8 | ||||
| 735 | I | 31.2 | Very low | 28.4 | Very low | 152 Ų | 152 | 139.8 Ų | 139.8 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | cis | -157.8 | 141.7 | 38 | -85.6 | 143 | 0 | 0 | 0 | 109.5 | ||||
| 736 | S | 25.5 | Very low | 28.2 | Very low | 95 Ų | 95 | 139 Ų | 139 | 66% | 0.664 | 79% | 0.79 | S | S | * | * | trans | -79.5 | 157.6 | 167.4 | 50 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 737 | S | 25.5 | Very low | 28 | Very low | 101 Ų | 101 | 138.3 Ų | 138.3 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | 69.2 | 118.5 | 158.9 | 34.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 738 | I | 28.3 | Very low | 27.9 | Very low | 160 Ų | 160 | 140.6 Ų | 140.6 | 82% | 0.821 | 78% | 0.782 | S | S | * | * | -177.4 | 116.6 | 127.9 | -85.5 | 148.4 | 0 | 0 | 0 | 109.2 | |||||
| 739 | D | 26.5 | Very low | 27.8 | Very low | 145 Ų | 145 | 142.3 Ų | 142.3 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | trans | 35.7 | 146.7 | 140.7 | -61.9 | -45.8 | 0 | 0 | 0 | 125.9 | ||||
| 740 | N | 29.4 | Very low | 27.3 | Very low | 153 Ų | 153 | 140.1 Ų | 140.1 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -54.4 | 154.1 | 163.9 | -72.8 | -52.7 | 0 | 0 | 0 | 113.6 | ||
| 741 | N | 26.1 | Very low | 27.3 | Very low | 145 Ų | 145 | 140.2 Ų | 140.2 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | trans | 73.7 | 113.7 | -177.4 | -71.7 | -15 | 0 | 0 | 0 | 114.3 | ||||
| 742 | D | 29.1 | Very low | 27 | Very low | 150 Ų | 150 | 140.5 Ų | 140.5 | 80% | 0.802 | 75% | 0.751 | S | S | * | * | -171.5 | 138.4 | 121.2 | -90.3 | -26.5 | 0 | 0 | 0 | 112.9 | I744 | D742-I744 PolarHBondContact O-N 3.49Š| |||
| 743 | N | 27.3 | Very low | 26.8 | Very low | 158 Ų | 158 | 138.5 Ų | 138.5 | 85% | 0.845 | 74% | 0.742 | S | S | * | * | trans | -49.7 | 124 | 162.5 | -74.7 | -49 | 0 | 0 | 0 | 110.6 | ||||
| 744 | I | 28.4 | Very low | 26.8 | Very low | 147 Ų | 147 | 140.2 Ų | 140.2 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | trans | -134.9 | 92.9 | 161 | -61.1 | -175.5 | 0 | 0 | 0 | 109.6 | D742 | D742-I744 PolarHBondContact O-N 3.49Š| ||
| 745 | N | 25.9 | Very low | 26.8 | Very low | 138 Ų | 138 | 140.2 Ų | 140.2 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | trans | -50.6 | 151.4 | 144.4 | -70.5 | -39.8 | 0 | 0 | 0 | 110.2 | ||||
| 746 | N | 25.8 | Very low | 26.6 | Very low | 142 Ų | 142 | 140.8 Ų | 140.8 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | trans | 79.6 | 77.1 | 167.8 | -55.3 | -26.2 | 0 | 0 | 0 | 116.9 | ||||
| 747 | I | 25.5 | Very low | 26.9 | Very low | 144 Ų | 144 | 144.3 Ų | 144.3 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | trans | -101.6 | 97 | 137.7 | -61.4 | 177.5 | 0 | 0 | 0 | 106 | F749 | I747-F749 PolarHBondContact O-N 3.47Š| ||
| 748 | K | 24.7 | Very low | 26.9 | Very low | 179 Ų | 179 | 150.3 Ų | 150.3 | 78% | 0.778 | 77% | 0.766 | S | S | * | * | trans | -58.3 | 107.8 | 165.2 | -82.2 | -178.3 | 173.5 | -178.1 | 0 | 107.6 | N750 | K748-N750 VanDerWaalsContact C-N 3.31Å; K748-N750 PolarHBondContact O-N 3.25Å; K748-N750 VanDerWaalsContact O-N 3.11Å | ||
| 749 | F | 25 | Very low | 26.9 | Very low | 150 Ų | 150 | 149.6 Ų | 149.6 | 66% | 0.658 | 76% | 0.764 | S | S | * | * | trans | -70.6 | 96.6 | 154.1 | -81.4 | -82.5 | 0 | 0 | 0 | 106.5 | I747 N751 | I747-F749 PolarHBondContact O-N 3.47Å; F749-N751 VanDerWaalsContact C-N 3.34Å; F749-N751 PolarHBondContact O-N 3.03Å | ||
| 750 | N | 23.9 | Very low | 27.2 | Very low | 122 Ų | 122 | 149.2 Ų | 149.2 | 65% | 0.652 | 77% | 0.767 | S | S | * | * | trans | -63.8 | 101.5 | 163 | -104.1 | 13.4 | 0 | 0 | 0 | 107.1 | K748 N752 | K748-N750 VanDerWaalsContact C-N 3.31Å; K748-N750 PolarHBondContact O-N 3.25Å; K748-N750 VanDerWaalsContact O-N 3.11Å; N750-N752 PolarHBondContact O-N 3.25Å | ||
| 751 | N | 26.2 | Very low | 27.1 | Very low | 108 Ų | 108 | 146.5 Ų | 146.5 | 58% | 0.578 | 76% | 0.76 | S | S | * | * | trans | -69 | 83.4 | 153.9 | -82.1 | -17.9 | 0 | 0 | 0 | 107.1 | F749 | F749-N751 VanDerWaalsContact C-N 3.34Å; F749-N751 PolarHBondContact O-N 3.03Å | ||
| 752 | N | 25.2 | Very low | 27.2 | Very low | 116 Ų | 116 | 146 Ų | 146 | 62% | 0.62 | 76% | 0.762 | S | S | * | * | trans | -108.1 | 84.7 | 160.5 | -75 | 9.6 | 0 | 0 | 0 | 106.9 | N750 D754 | N750-N752 PolarHBondContact O-N 3.25Å; N752-D754 PolarHBondContact O-N 3.03Å | ||
| 753 | N | 27.7 | Very low | 27.4 | Very low | 139 Ų | 139 | 144.5 Ų | 144.5 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | trans | -76.2 | 82.3 | 151.2 | -81.1 | -15.9 | 0 | 0 | 0 | 105.9 | ||||
| 754 | D | 27.3 | Very low | 27.5 | Very low | 140 Ų | 140 | 145.9 Ų | 145.9 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | trans | -154 | 86.9 | 167.8 | -86.4 | -36 | 0 | 0 | 0 | 106.8 | N752 | N752-D754 PolarHBondContact O-N 3.03Š| ||
| 755 | D | 28.6 | Very low | 27.7 | Very low | 161 Ų | 161 | 143.9 Ų | 143.9 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | trans | -168.4 | 97.1 | 155.4 | -100 | -28.2 | 0 | 0 | 0 | 109.7 | ||||
| 756 | L | 27.2 | Very low | 28 | Very low | 163 Ų | 163 | 143.7 Ų | 143.7 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | trans | 174.5 | 79.4 | 132.1 | -91.7 | 158.6 | 0 | 0 | 0 | 108.6 | ||||
| 757 | D | 32 | Very low | 28.3 | Very low | 170 Ų | 170 | 144.4 Ų | 144.4 | 91% | 0.909 | 77% | 0.766 | S | S | * | * | trans | -148.3 | 112 | 144.3 | -103.2 | -27 | 0 | 0 | 0 | 110.4 | ||||
| 758 | R | 25.9 | Very low | 28.4 | Very low | 227 Ų | 227 | 140.8 Ų | 140.8 | 86% | 0.857 | 76% | 0.757 | S | S | * | * | trans | -73.5 | 129.2 | 171 | -81.3 | 178.5 | 173.3 | 172.3 | -1.3 | 108.9 | ||||
| 759 | N | 28 | Very low | 28.7 | Very low | 144 Ų | 144 | 139.5 Ų | 139.5 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | trans | 126.6 | 103.1 | 143.1 | -65.1 | -30.7 | 0 | 0 | 0 | 112.8 | ||||
| 760 | T | 31.9 | Very low | 28.9 | Very low | 137 Ų | 137 | 137.9 Ų | 137.9 | 84% | 0.84 | 76% | 0.756 | S | S | * | * | 163.4 | 112.6 | 116.1 | 37.8 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 761 | S | 27.3 | Very low | 29.2 | Very low | 97 Ų | 97 | 139.3 Ų | 139.3 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | trans | 6 | 140.2 | 150.3 | 52.3 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 762 | T | 29 | Very low | 29.2 | Very low | 135 Ų | 135 | 142.8 Ų | 142.8 | 83% | 0.828 | 77% | 0.772 | S | S | * | * | trans | 73.4 | 134.6 | 145.8 | 50 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 763 | S | 32.8 | Very low | 29.3 | Very low | 118 Ų | 118 | 143.3 Ų | 143.3 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | cis | -168.5 | 162.2 | 19.7 | 36.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 764 | Q | 29.4 | Very low | 29.2 | Very low | 187 Ų | 187 | 144.2 Ų | 144.2 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | -63.9 | 167.6 | -170.2 | -66.1 | 167.3 | -34.4 | 0 | 0 | 118.8 | ||||
| 765 | S | 33 | Very low | 29.5 | Very low | 104 Ų | 104 | 144.1 Ų | 144.1 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | 118.8 | 136.6 | 146.8 | 71.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 766 | N | 32.8 | Very low | 29.3 | Very low | 134 Ų | 134 | 142.2 Ų | 142.2 | 72% | 0.717 | 79% | 0.787 | S | S | * | * | cis | -168.8 | 146.9 | 3.4 | -106.9 | -22.3 | 0 | 0 | 0 | 108.4 | ||||
| 767 | L | 30.3 | Very low | 29.6 | Very low | 157 Ų | 157 | 142.2 Ų | 142.2 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | 45.5 | 152.3 | 136.4 | -60.1 | 154.7 | 0 | 0 | 0 | 121 | ||||
| 768 | A | 28.8 | Very low | 29.3 | Very low | 68 Ų | 68 | 142 Ų | 142 | 56% | 0.562 | 78% | 0.782 | S | S | * | * | cis | 171.9 | 166.2 | -17.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 769 | L | 30.2 | Very low | 29.4 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 80% | 0.801 | 79% | 0.786 | S | S | * | * | trans | 79.6 | 141 | 155.2 | -66.5 | 144 | 0 | 0 | 0 | 118.1 | ||||
| 770 | D | 28.7 | Very low | 29.4 | Very low | 115 Ų | 115 | 139 Ų | 139 | 62% | 0.615 | 78% | 0.781 | S | S | * | * | cis | -176.1 | 164.6 | -13.8 | -139.8 | 5.5 | 0 | 0 | 0 | 109.1 | ||||
| 771 | Q | 30.2 | Very low | 29.1 | Very low | 153 Ų | 153 | 139.9 Ų | 139.9 | 72% | 0.715 | 78% | 0.779 | S | S | * | * | trans | 72.9 | 110.1 | 149.5 | -70.5 | 166.7 | 28.1 | 0 | 0 | 120.6 | ||||
| 772 | Q | 26.7 | Very low | 28.9 | Very low | 180 Ų | 180 | 140 Ų | 140 | 84% | 0.841 | 78% | 0.78 | S | S | * | * | 87.6 | 111.5 | 77.1 | -107.7 | -177.1 | -4.3 | 0 | 0 | 115.2 | |||||
| 773 | C | 28.4 | Very low | 29 | Very low | 128 Ų | 128 | 140.4 Ų | 140.4 | 87% | 0.865 | 78% | 0.782 | S | S | * | * | trans | -168.2 | 121.5 | 130.7 | -115.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 774 | N | 25.5 | Very low | 28.8 | Very low | 157 Ų | 157 | 143.2 Ų | 143.2 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | trans | -89.1 | 143.2 | 162.4 | -92.6 | -16.2 | 0 | 0 | 0 | 108.8 | ||||
| 775 | T | 32.2 | Very low | 28.9 | Very low | 139 Ų | 139 | 140.3 Ų | 140.3 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | -151.4 | 119.9 | 150.5 | -3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 776 | T | 25.8 | Very low | 28.9 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | trans | -82.7 | 135.8 | 174 | -47.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 777 | D | 32 | Very low | 28.6 | Very low | 163 Ų | 163 | 141.3 Ų | 141.3 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | trans | -138.1 | 118.8 | 155.4 | -93.1 | -33.5 | 0 | 0 | 0 | 110 | ||||
| 778 | Q | 26.3 | Very low | 28.8 | Very low | 165 Ų | 165 | 141.5 Ų | 141.5 | 77% | 0.771 | 79% | 0.788 | S | S | * | * | trans | -73.5 | 139.8 | 167 | -71.7 | -176.6 | -5.3 | 0 | 0 | 109.4 | ||||
| 779 | L | 28.3 | Very low | 28.8 | Very low | 180 Ų | 180 | 147.3 Ų | 147.3 | 94% | 0.942 | 80% | 0.801 | S | S | * | * | trans | -142.4 | 141.6 | 154.3 | -105.8 | 160 | 0 | 0 | 0 | 111.4 | ||||
| 780 | I | 27.9 | Very low | 28.8 | Very low | 129 Ų | 129 | 148.1 Ų | 148.1 | 66% | 0.662 | 81% | 0.805 | S | S | * | * | trans | -102.4 | 143.3 | -157.2 | -84.8 | 168.6 | 0 | 0 | 0 | 110.5 | ||||
| 781 | L | 25.1 | Very low | 28.9 | Very low | 155 Ų | 155 | 146.9 Ų | 146.9 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | trans | 48.7 | 133.7 | 153.1 | -92.4 | 96.1 | 0 | 0 | 0 | 123.4 | ||||
| 782 | S | 23.9 | Very low | 28.8 | Very low | 99 Ų | 99 | 145.5 Ų | 145.5 | 69% | 0.692 | 81% | 0.808 | S | S | * | * | trans | 93 | 118.7 | 139.6 | 85.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 783 | T | 30.2 | Very low | 29 | Very low | 144 Ų | 144 | 144.5 Ų | 144.5 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | -173.2 | 154.1 | 114.1 | 30.1 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 784 | Q | 28.3 | Very low | 28.9 | Very low | 177 Ų | 177 | 144.7 Ų | 144.7 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | trans | -66.9 | 160.9 | -161.7 | -61.7 | 169.8 | -45.2 | 0 | 0 | 115.9 | T786 | Q784-T786 PolarHBondContact O-N 3.4Š| ||
| 785 | P | 32.1 | Very low | 29.2 | Very low | 126 Ų | 126 | 142.8 Ų | 142.8 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -79.6 | 115.9 | 162.5 | 31.2 | -26.5 | 0 | 0 | 0 | 109.8 | T787 | P785-T787 PolarHBondContact O-N 2.82Š| ||
| 786 | T | 32.4 | Very low | 29 | Very low | 127 Ų | 127 | 142 Ų | 142 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | -71.9 | 112.7 | 166.2 | 44.6 | 0 | 0 | 0 | 0 | 109.5 | Q784 | Q784-T786 PolarHBondContact O-N 3.4Š| ||
| 787 | T | 27.8 | Very low | 29.3 | Very low | 131 Ų | 131 | 142.8 Ų | 142.8 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -62.1 | 125.3 | 158.7 | 46.9 | 0 | 0 | 0 | 0 | 109.4 | P785 | P785-T787 PolarHBondContact O-N 2.82Š| ||
| 788 | D | 33.7 | Very low | 29.2 | Very low | 161 Ų | 161 | 142.6 Ų | 142.6 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | trans | -130 | 132.8 | 158.3 | -98.1 | -32.2 | 0 | 0 | 0 | 111.8 | ||||
| 789 | K | 28.8 | Very low | 29.5 | Very low | 191 Ų | 191 | 141 Ų | 141 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | trans | -78.7 | 143.8 | -175.2 | -68.6 | 167.2 | 170.8 | 174.5 | 0 | 111.1 | ||||
| 790 | L | 31.7 | Very low | 29.6 | Very low | 170 Ų | 170 | 139 Ų | 139 | 89% | 0.89 | 78% | 0.783 | S | S | * | * | trans | -151.3 | 81.9 | 150.1 | -94 | 158.3 | 0 | 0 | 0 | 105.7 | ||||
| 791 | S | 28.9 | Very low | 29.8 | Very low | 88 Ų | 88 | 140.6 Ų | 140.6 | 62% | 0.615 | 79% | 0.791 | S | S | * | * | 49.1 | 107.7 | 87.2 | 79.5 | 0 | 0 | 0 | 0 | 116 | |||||
| 792 | T | 29.3 | Very low | 30 | Very low | 124 Ų | 124 | 138.5 Ų | 138.5 | 76% | 0.761 | 79% | 0.788 | S | S | * | * | trans | 87.4 | 105.6 | 138.4 | -39.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 793 | I | 29.6 | Very low | 30.3 | Very low | 159 Ų | 159 | 138.7 Ų | 138.7 | 82% | 0.815 | 79% | 0.788 | S | S | * | * | -156.3 | 113.8 | 110.8 | -84.3 | 146.2 | 0 | 0 | 0 | 106.9 | |||||
| 794 | V | 26.2 | Very low | 30.1 | Very low | 133 Ų | 133 | 136.9 Ų | 136.9 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | trans | -127.4 | 130.5 | 162.5 | 171.3 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 795 | T | 32.5 | Very low | 30.4 | Very low | 116 Ų | 116 | 134.1 Ų | 134.1 | 71% | 0.712 | 78% | 0.781 | S | S | * | * | trans | -154.2 | 98.3 | 159.4 | -1 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 796 | D | 28.7 | Very low | 30.2 | Very low | 123 Ų | 123 | 134.3 Ų | 134.3 | 66% | 0.658 | 78% | 0.781 | S | S | * | * | 86.2 | 107.1 | 100.7 | -85.1 | -13.9 | 0 | 0 | 0 | 112.6 | |||||
| 797 | C | 30.8 | Very low | 30.4 | Very low | 137 Ų | 137 | 133.3 Ų | 133.3 | 93% | 0.926 | 78% | 0.776 | S | S | * | * | -162.5 | 106.5 | 129.2 | -95.1 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 798 | H | 30 | Very low | 30.5 | Very low | 159 Ų | 159 | 131.8 Ų | 131.8 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | trans | -61.6 | 144.6 | 167.4 | -84.3 | -88.6 | 0 | 0 | 0 | 112.1 | ||||
| 799 | T | 32.9 | Very low | 30.4 | Very low | 133 Ų | 133 | 130.4 Ų | 130.4 | 82% | 0.816 | 77% | 0.768 | S | S | * | * | -170.6 | 117.4 | 114.4 | 28.7 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 800 | N | 29.9 | Very low | 30.6 | Very low | 137 Ų | 137 | 127.1 Ų | 127.1 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | trans | 6 | 142.2 | 145.9 | -56.2 | -33.1 | 0 | 0 | 0 | 118.6 | ||||
| 801 | I | 32.1 | Very low | 30.6 | Very low | 162 Ų | 162 | 127.3 Ų | 127.3 | 83% | 0.831 | 77% | 0.768 | S | S | * | * | -162.5 | 135.2 | 73 | -81.5 | 160.6 | 0 | 0 | 0 | 111.9 | |||||
| 802 | C | 30.1 | Very low | 30.9 | Very low | 112 Ų | 112 | 129.5 Ų | 129.5 | 76% | 0.757 | 78% | 0.778 | S | S | * | * | trans | -13.8 | 160.8 | 151.2 | -66.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 803 | C | 29.6 | Very low | 31.2 | Very low | 103 Ų | 103 | 128 Ų | 128 | 70% | 0.696 | 77% | 0.772 | S | S | * | * | cis | -175.2 | 142.9 | -1.5 | -104.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 804 | S | 27.7 | Very low | 31.4 | Very low | 106 Ų | 106 | 128 Ų | 128 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | 36.2 | 124.7 | 143.4 | 62.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 805 | S | 33 | Very low | 31.8 | Very low | 118 Ų | 118 | 125.5 Ų | 125.5 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | 163.9 | 123.8 | 96.4 | 57.6 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 806 | T | 27.9 | Very low | 31.9 | Very low | 131 Ų | 131 | 126.8 Ų | 126.8 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -76.7 | -177.2 | 157 | 36.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 807 | P | 37 | Very low | 32.2 | Very low | 106 Ų | 106 | 124.9 Ų | 124.9 | 69% | 0.688 | 79% | 0.792 | S | S | * | * | cis | -140.3 | -179.7 | -14 | 22.4 | 3.5 | 0 | 0 | 0 | 115.9 | ||||
| 808 | S | 30.8 | Very low | 32.4 | Very low | 98 Ų | 98 | 125.3 Ų | 125.3 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | trans | 81.8 | 123.3 | 136.7 | 61.9 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 809 | T | 30.8 | Very low | 32.7 | Very low | 132 Ų | 132 | 123.3 Ų | 123.3 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | 63 | 121.1 | 136.6 | 46.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 810 | S | 32.6 | Very low | 32.9 | Very low | 122 Ų | 122 | 123 Ų | 123 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | -179.5 | 152.8 | 108.3 | 58.4 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 811 | M | 31.5 | Very low | 33 | Very low | 174 Ų | 174 | 123 Ų | 123 | 86% | 0.857 | 77% | 0.773 | S | S | * | * | trans | -80.3 | -178.4 | -168.4 | -58.8 | -172.1 | 108.6 | 0 | 0 | 116.4 | ||||
| 812 | T | 35 | Very low | 33.1 | Very low | 134 Ų | 134 | 122.6 Ų | 122.6 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | 100.6 | 139 | 156.8 | 70.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 813 | S | 35.7 | Very low | 33.1 | Very low | 92 Ų | 92 | 124.6 Ų | 124.6 | 64% | 0.643 | 78% | 0.776 | S | S | * | * | cis | -178 | 144.8 | -9 | 43.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 814 | D | 33.5 | Very low | 33.2 | Very low | 161 Ų | 161 | 124.9 Ų | 124.9 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | trans | 59.8 | 132.8 | 142.9 | -59.2 | -22 | 0 | 0 | 0 | 124.2 | ||||
| 815 | G | 36 | Very low | 33.1 | Very low | 80 Ų | 80 | 124.7 Ų | 124.7 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | -173.8 | 78.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 816 | T | 33.5 | Very low | 32.9 | Very low | 143 Ų | 143 | 127 Ų | 127 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | trans | -73.3 | 153.7 | -179.6 | 37.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 817 | G | 36.2 | Very low | 32.7 | Very low | 82 Ų | 82 | 127 Ų | 127 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | trans | -164.1 | 69.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 818 | N | 34.5 | Very low | 32.3 | Very low | 147 Ų | 147 | 127 Ų | 127 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | trans | -33.6 | 141.4 | 166.5 | -110.3 | -3 | 0 | 0 | 0 | 118.3 | ||||
| 819 | N | 37.1 | Very low | 32 | Very low | 117 Ų | 117 | 127.4 Ų | 127.4 | 63% | 0.626 | 78% | 0.784 | S | S | * | * | 152.8 | 133.2 | 95.6 | -99.7 | -11.8 | 0 | 0 | 0 | 117 | |||||
| 820 | N | 35.6 | Very low | 31.9 | Very low | 125 Ų | 125 | 127.4 Ų | 127.4 | 67% | 0.668 | 78% | 0.783 | S | S | * | * | trans | 87.3 | 99.1 | 135.2 | -64.4 | -14.6 | 0 | 0 | 0 | 123.5 | ||||
| 821 | N | 32.8 | Very low | 31.5 | Very low | 137 Ų | 137 | 128.2 Ų | 128.2 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | 36.1 | 124.2 | 113.5 | -68.3 | -9.1 | 0 | 0 | 0 | 120.5 | |||||
| 822 | N | 34.9 | Very low | 31.5 | Very low | 155 Ų | 155 | 126.4 Ų | 126.4 | 83% | 0.829 | 78% | 0.777 | S | S | * | * | -179.8 | 144.4 | 102.1 | -91.8 | -27.5 | 0 | 0 | 0 | 114.2 | |||||
| 823 | N | 29.4 | Very low | 31 | Very low | 153 Ų | 153 | 128.2 Ų | 128.2 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -52.6 | 147.3 | 173.7 | -63.5 | -41.5 | 0 | 0 | 0 | 114.9 | ||||
| 824 | S | 31.7 | Very low | 30.7 | Very low | 109 Ų | 109 | 128.8 Ų | 128.8 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | 170.7 | 133.7 | 110.5 | 59.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 825 | S | 25.3 | Very low | 30.3 | Very low | 102 Ų | 102 | 128.2 Ų | 128.2 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | trans | -29.9 | 144.5 | 159.9 | 52.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 826 | I | 29.3 | Very low | 30 | Very low | 167 Ų | 167 | 133.2 Ų | 133.2 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | -166.8 | 134.5 | 127 | -93.4 | 148.3 | 0 | 0 | 0 | 109.7 | |||||
| 827 | V | 24.2 | Very low | 29.8 | Very low | 132 Ų | 132 | 135 Ų | 135 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | trans | -60.8 | 135.5 | 171.1 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 828 | S | 28.6 | Very low | 29.3 | Very low | 106 Ų | 106 | 137.1 Ų | 137.1 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | trans | -150.5 | 102.2 | 151.7 | 58.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 829 | S | 24.1 | Very low | 29 | Very low | 105 Ų | 105 | 136.3 Ų | 136.3 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | -42.8 | 133.3 | 155.6 | 44.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 830 | V | 29 | Very low | 28.4 | Very low | 132 Ų | 132 | 135 Ų | 135 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | trans | -129.4 | 110.7 | 155.5 | 179.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 831 | N | 24.3 | Very low | 28.1 | Very low | 140 Ų | 140 | 136.3 Ų | 136.3 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | trans | -62.5 | 135.2 | 165.7 | -80.3 | -14.4 | 0 | 0 | 0 | 109.7 | ||||
| 832 | V | 30 | Very low | 27.7 | Very low | 136 Ų | 136 | 136.8 Ų | 136.8 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | trans | -129.4 | 108.1 | 146.8 | -179.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 833 | E | 25 | Very low | 27.3 | Very low | 171 Ų | 171 | 137.2 Ų | 137.2 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | trans | -75.5 | 131.7 | 169.9 | -70.3 | 173.3 | 147.7 | 0 | 0 | 110.1 | ||||
| 834 | S | 29.9 | Very low | 27.1 | Very low | 104 Ų | 104 | 137.1 Ų | 137.1 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -170.6 | 91.8 | 142.6 | 53.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 835 | N | 25.7 | Very low | 26.9 | Very low | 149 Ų | 149 | 138.2 Ų | 138.2 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | 49.6 | 102.5 | 108.6 | -73.5 | -16.3 | 0 | 0 | 0 | 114.1 | |||||
| 836 | E | 29.1 | Very low | 27 | Very low | 186 Ų | 186 | 139.1 Ų | 139.1 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | -177.1 | 118.4 | 90.3 | -88.1 | -170.2 | 171.2 | 0 | 0 | 112.9 | |||||
| 837 | H | 29.5 | Very low | 26.8 | Very low | 179 Ų | 179 | 138.9 Ų | 138.9 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | trans | 24.4 | 106.4 | 148.6 | -72.7 | -78.8 | 0 | 0 | 0 | 123 | ||||
| 838 | V | 25.3 | Very low | 27 | Very low | 128 Ų | 128 | 137.9 Ų | 137.9 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | -41.6 | 134.1 | 133.6 | 175.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 839 | V | 28.7 | Very low | 26.8 | Very low | 129 Ų | 129 | 139.5 Ų | 139.5 | 78% | 0.782 | 79% | 0.79 | S | S | * | * | trans | -160.7 | 114.3 | 131.4 | 173.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 840 | S | 24.7 | Very low | 27 | Very low | 89 Ų | 89 | 142.1 Ų | 142.1 | 62% | 0.622 | 80% | 0.795 | S | S | * | * | trans | -64.5 | 139.8 | 151 | 51.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 841 | L | 28.5 | Very low | 26.8 | Very low | 153 Ų | 153 | 144.3 Ų | 144.3 | 80% | 0.801 | 80% | 0.797 | S | S | * | * | trans | 160.2 | 119.2 | 134.5 | -85 | 154.5 | 0 | 0 | 0 | 111.4 | ||||
| 842 | L | 25.2 | Very low | 27 | Very low | 147 Ų | 147 | 144.4 Ų | 144.4 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | trans | 6.1 | 140.2 | 134.9 | -77.4 | 150.6 | 0 | 0 | 0 | 119.3 | ||||
| 843 | E | 26.3 | Very low | 26.8 | Very low | 164 Ų | 164 | 144.1 Ų | 144.1 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | trans | 82.3 | 116.7 | 150.6 | -69.2 | 176.9 | 178.9 | 0 | 0 | 119.6 | ||||
| 844 | N | 25 | Very low | 26.8 | Very low | 151 Ų | 151 | 141.5 Ų | 141.5 | 81% | 0.807 | 80% | 0.802 | S | S | * | * | trans | 45.5 | 103.1 | 143.1 | -68.5 | -23.6 | 0 | 0 | 0 | 117.5 | ||||
| 845 | C | 26.9 | Very low | 26.7 | Very low | 132 Ų | 132 | 144.5 Ų | 144.5 | 89% | 0.892 | 81% | 0.808 | S | S | * | * | -166.6 | 131.1 | 128.2 | -99.2 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 846 | T | 26.6 | Very low | 26.8 | Very low | 122 Ų | 122 | 142 Ų | 142 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | -52.8 | 149.4 | 167.4 | 46.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 847 | N | 25.2 | Very low | 26.7 | Very low | 161 Ų | 161 | 139.4 Ų | 139.4 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | trans | 59.7 | 101.5 | 156.9 | -70.2 | -20.1 | 0 | 0 | 0 | 117.7 | ||||
| 848 | S | 28.8 | Very low | 26.6 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | -141.4 | 117.5 | 139.8 | 60.3 | 0 | 0 | 0 | 0 | 111.2 | L850 | S848-L850 PolarHBondContact O-N 2.84Š| ||
| 849 | T | 25.2 | Very low | 26.5 | Very low | 140 Ų | 140 | 138.5 Ų | 138.5 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | trans | -57.6 | 121.6 | 170.9 | -34.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 850 | L | 28.5 | Very low | 26.5 | Very low | 160 Ų | 160 | 140.3 Ų | 140.3 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | -121.6 | 118.5 | 164 | -93.1 | 160.4 | 0 | 0 | 0 | 109.6 | S848 T852 | S848-L850 PolarHBondContact O-N 2.84Å; L850-T852 PolarHBondContact O-N 3.01Å | ||
| 851 | Q | 25.3 | Very low | 26.6 | Very low | 179 Ų | 179 | 141.2 Ų | 141.2 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | trans | -58.8 | 121.4 | -178 | -70.4 | 169 | -55.6 | 0 | 0 | 110.6 | T853 | Q851-T853 PolarHBondContact O-N 3.02Š| ||
| 852 | T | 26.7 | Very low | 26.7 | Very low | 142 Ų | 142 | 140.5 Ų | 140.5 | 87% | 0.871 | 79% | 0.789 | S | S | * | * | trans | -77.4 | 107.6 | 159.4 | 16.1 | 0 | 0 | 0 | 0 | 107.9 | L850 S854 | L850-T852 PolarHBondContact O-N 3.01Å; T852-S854 PolarHBondContact O-N 2.81Å | ||
| 853 | T | 27 | Very low | 26.8 | Very low | 130 Ų | 130 | 140.3 Ų | 140.3 | 80% | 0.798 | 79% | 0.789 | S | S | * | * | trans | -65 | 121.4 | 160.9 | 20.8 | 0 | 0 | 0 | 0 | 108.7 | Q851 I855 | Q851-T853 PolarHBondContact O-N 3.02Å; T853-I855 PolarHBondContact O-N 2.84Å | ||
| 854 | S | 24.3 | Very low | 27.1 | Very low | 116 Ų | 116 | 140 Ų | 140 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | -52.5 | 116.4 | 172.4 | 43.4 | 0 | 0 | 0 | 0 | 112.3 | T852 | T852-S854 PolarHBondContact O-N 2.81Š| ||
| 855 | I | 28 | Very low | 27.2 | Very low | 167 Ų | 167 | 138.1 Ų | 138.1 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | -96.3 | 110.5 | 152.5 | -63.6 | 179 | 0 | 0 | 0 | 106.4 | T853 | T853-I855 PolarHBondContact O-N 2.84Š| ||
| 856 | S | 28.3 | Very low | 27.6 | Very low | 96 Ų | 96 | 139 Ų | 139 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | trans | -53.4 | 133.9 | 176.8 | 43.9 | 0 | 0 | 0 | 0 | 112.5 | I858 | S856-I858 PolarHBondContact O-N 3.48Š| ||
| 857 | T | 25.5 | Very low | 27.8 | Very low | 132 Ų | 132 | 141.2 Ų | 141.2 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -30.5 | 117.7 | 154.9 | -41.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 858 | I | 27.7 | Very low | 28.2 | Very low | 143 Ų | 143 | 140.8 Ų | 140.8 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | trans | -101.1 | 111 | 155.9 | -64.2 | 177.1 | 0 | 0 | 0 | 105.7 | S856 L860 | S856-I858 PolarHBondContact O-N 3.48Å; I858-L860 HydrophobicContact CG2-CG 4.38Å | ||
| 859 | Q | 24.7 | Very low | 28.2 | Very low | 144 Ų | 144 | 144.3 Ų | 144.3 | 67% | 0.673 | 79% | 0.786 | S | S | * | * | trans | -63.9 | 130.8 | 160.4 | -77 | -169.3 | -85.2 | 0 | 0 | 108.3 | ||||
| 860 | L | 28.9 | Very low | 28.6 | Very low | 167 Ų | 167 | 147.9 Ų | 147.9 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | -113.4 | 96.2 | 155.7 | -74.5 | 171.5 | 0 | 0 | 0 | 107.1 | I858 | I858-L860 HydrophobicContact CG2-CG 4.38Š| ||
| 861 | D | 26.5 | Very low | 28.8 | Very low | 109 Ų | 109 | 144.8 Ų | 144.8 | 58% | 0.583 | 78% | 0.782 | S | S | * | * | trans | -74.9 | 155 | 161.4 | -80 | -27.9 | 0 | 0 | 0 | 110 | ||||
| 862 | N | 30.1 | Very low | 29 | Very low | 137 Ų | 137 | 141.4 Ų | 141.4 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | trans | 81.8 | 115.8 | 150.1 | -61.2 | -31 | 0 | 0 | 0 | 119.8 | ||||
| 863 | N | 27.9 | Very low | 29.3 | Very low | 144 Ų | 144 | 140.6 Ų | 140.6 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | 30 | 113.8 | 120.9 | -68 | -23.5 | 0 | 0 | 0 | 116.4 | |||||
| 864 | D | 32.9 | Very low | 29.3 | Very low | 156 Ų | 156 | 141 Ų | 141 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | trans | -157.2 | 114.5 | 131.8 | -97.2 | -28.1 | 0 | 0 | 0 | 111.5 | ||||
| 865 | S | 27 | Very low | 29.8 | Very low | 113 Ų | 113 | 141.1 Ų | 141.1 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | -73.9 | 121.8 | 163.2 | 53.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 866 | I | 33.7 | Very low | 30 | Very low | 150 Ų | 150 | 140.1 Ų | 140.1 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -134.4 | 108.6 | 162.2 | -61.7 | -176.8 | 0 | 0 | 0 | 110.1 | ||||
| 867 | H | 31.4 | Very low | 30.4 | Very low | 168 Ų | 168 | 141.8 Ų | 141.8 | 78% | 0.778 | 78% | 0.784 | S | S | * | * | trans | -55.4 | 141.2 | 162.9 | -85.8 | -69 | 0 | 0 | 0 | 113 | ||||
| 868 | N | 33.8 | Very low | 30.8 | Very low | 152 Ų | 152 | 140.5 Ų | 140.5 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | -168.6 | 94.3 | 137.9 | -92.4 | -27.8 | 0 | 0 | 0 | 108.6 | ||||
| 869 | K | 29.4 | Very low | 31.2 | Very low | 185 Ų | 185 | 138.3 Ų | 138.3 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | 40.4 | 100.4 | 98.4 | -84.1 | -173.6 | 177.6 | 178 | 0 | 114.6 | |||||
| 870 | F | 32.6 | Very low | 31.6 | Very low | 215 Ų | 215 | 139.9 Ų | 139.9 | 94% | 0.943 | 79% | 0.785 | S | S | * | * | -148 | 139.6 | 127.2 | -102 | -76.1 | 0 | 0 | 0 | 110.3 | |||||
| 871 | S | 32.2 | Very low | 31.7 | Very low | 96 Ų | 96 | 141 Ų | 141 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | trans | -109 | 140.1 | -156.6 | 45.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 872 | S | 30.3 | Very low | 31.9 | Very low | 107 Ų | 107 | 145.3 Ų | 145.3 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | 42.1 | 128.7 | 136.8 | 67.4 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 873 | S | 32.7 | Very low | 31.9 | Very low | 125 Ų | 125 | 144.6 Ų | 144.6 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | -157.4 | 132.1 | 112.9 | 49.6 | 0 | 0 | 0 | 0 | 112 | |||||
| 874 | T | 27.9 | Very low | 32.1 | Very low | 138 Ų | 138 | 144 Ų | 144 | 85% | 0.847 | 81% | 0.805 | S | S | * | * | trans | -93.9 | 149.6 | 176.4 | 37.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 875 | S | 35.4 | Very low | 32.1 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | trans | -157.7 | 123.5 | 148.1 | 57.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 876 | D | 31.1 | Very low | 32.4 | Very low | 146 Ų | 146 | 142.4 Ų | 142.4 | 78% | 0.781 | 80% | 0.803 | S | S | * | * | trans | -61.2 | 159.5 | 175.9 | -57.6 | -67.2 | 0 | 0 | 0 | 115 | ||||
| 877 | T | 36 | Very low | 32.3 | Very low | 131 Ų | 131 | 144.9 Ų | 144.9 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | -177.5 | 122 | 118.2 | 23.9 | 0 | 0 | 0 | 0 | 114 | |||||
| 878 | S | 35.6 | Very low | 32.2 | Very low | 105 Ų | 105 | 146.7 Ų | 146.7 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | trans | 20.7 | 146.5 | 135.1 | 58.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 879 | S | 35.1 | Very low | 32 | Very low | 96 Ų | 96 | 147.9 Ų | 147.9 | 67% | 0.671 | 81% | 0.809 | S | S | * | * | cis | 173.6 | 168.2 | 11.5 | 43.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 880 | Q | 34.3 | Very low | 32 | Very low | 177 Ų | 177 | 145.9 Ų | 145.9 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | trans | 93.6 | 96.7 | 160.8 | -54.9 | -169.5 | 4.5 | 0 | 0 | 116.5 | ||||
| 881 | Q | 29.3 | Very low | 31.8 | Very low | 191 Ų | 191 | 142.3 Ų | 142.3 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | 70.2 | 102.7 | 83.1 | -94 | -170.2 | -12.9 | 0 | 0 | 114.6 | |||||
| 882 | E | 31.8 | Very low | 31.7 | Very low | 199 Ų | 199 | 143.4 Ų | 143.4 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | trans | -164.1 | 155.7 | 130.6 | -109.4 | 173.9 | -172.4 | 0 | 0 | 111.6 | ||||
| 883 | T | 29.1 | Very low | 31.7 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | -74.1 | 149.4 | -153.3 | 49.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 884 | T | 32.6 | Very low | 31.5 | Very low | 132 Ų | 132 | 145 Ų | 145 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | 172.3 | 130.9 | 132.4 | 32.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 885 | S | 32.3 | Very low | 31.7 | Very low | 103 Ų | 103 | 144.8 Ų | 144.8 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | trans | 63 | 146.1 | 150.9 | 51.4 | 0 | 0 | 0 | 0 | 122.3 | K887 | S885-K887 PolarHBondContact O-N 3.42Š| ||
| 886 | P | 33.3 | Very low | 31.2 | Very low | 132 Ų | 132 | 144.9 Ų | 144.9 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | trans | -79 | 122.7 | -163 | 31.9 | -32.7 | 0 | 0 | 0 | 112.7 | ||||
| 887 | K | 31.9 | Very low | 31.2 | Very low | 202 Ų | 202 | 147.2 Ų | 147.2 | 88% | 0.878 | 79% | 0.785 | S | S | * | * | trans | -82.4 | 123.5 | 168.9 | -74.2 | -178.8 | 175.9 | 178.9 | 0 | 110 | S885 Q889 | S885-K887 PolarHBondContact O-N 3.42Å; K887-Q889 PolarHBondContact O-N 2.56Å | ||
| 888 | R | 30.3 | Very low | 31 | Very low | 207 Ų | 207 | 149.1 Ų | 149.1 | 78% | 0.781 | 81% | 0.814 | S | S | * | * | trans | -61.2 | 114.9 | 157.7 | -96.6 | 179.9 | 171.2 | 168 | -1.1 | 107.6 | D100 I890 | D100-R888 IonicContact OD2-CZ 3.19Å; D100-R888 IonicContact OD2-NH1 2.64Å; D100-R888 IonicContact OD2-NH2 3.88Å; D100-R888 PolarHBondContact OD2-NH2 3.45Å; R888-I890 PolarHBondContact O-N 2.82Å | ||
| 889 | Q | 28.2 | Very low | 30.8 | Very low | 177 Ų | 177 | 151.3 Ų | 151.3 | 83% | 0.827 | 82% | 0.818 | S | S | * | * | trans | -68.7 | 115 | 168.7 | -95.5 | 173.4 | -35.8 | 0 | 0 | 108.8 | K887 | K887-Q889 PolarHBondContact O-N 2.56Š| ||
| 890 | I | 30.7 | Very low | 30.6 | Very low | 142 Ų | 142 | 154.2 Ų | 154.2 | 73% | 0.728 | 83% | 0.826 | S | S | * | * | trans | -91.6 | 110.2 | 157.2 | -63.1 | 175.2 | 0 | 0 | 0 | 105.2 | R888 V892 | R888-I890 PolarHBondContact O-N 2.82Å; I890-V892 HydrophobicContact CG2-CG2 4.47Å; I890-V892 PolarHBondContact O-N 2.84Å | ||
| 891 | N | 28.5 | Very low | 30.3 | Very low | 141 Ų | 141 | 152.9 Ų | 152.9 | 75% | 0.754 | 83% | 0.826 | S | S | * | * | trans | -70.1 | 102.7 | 171.2 | -85.8 | -25.9 | 0 | 0 | 0 | 108.1 | ||||
| 892 | V | 30.4 | Very low | 30.4 | Very low | 119 Ų | 119 | 150.7 Ų | 150.7 | 72% | 0.721 | 82% | 0.822 | S | S | * | * | trans | -83.9 | 120.8 | 164 | -176.1 | 0 | 0 | 0 | 0 | 107 | I890 L894 | I890-V892 HydrophobicContact CG2-CG2 4.47Å; I890-V892 PolarHBondContact O-N 2.84Å; V892-L894 PolarHBondContact O-N 2.9Å | ||
| 893 | P | 29.9 | Very low | 30.3 | Very low | 105 Ų | 105 | 147.7 Ų | 147.7 | 68% | 0.682 | 82% | 0.815 | S | S | * | * | trans | -65.9 | 117.5 | 171.9 | -8.6 | 23.3 | 0 | 0 | 0 | 108.5 | I895 | P893-I895 PolarHBondContact O-N 2.75Š| ||
| 894 | L | 27.3 | Very low | 30.4 | Very low | 160 Ų | 160 | 149.4 Ų | 149.4 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | trans | -66.1 | 100.3 | 167.6 | -138.3 | 97.8 | 0 | 0 | 0 | 107.6 | V892 | V892-L894 PolarHBondContact O-N 2.9Š| ||
| 895 | I | 32.4 | Very low | 30.3 | Very low | 133 Ų | 133 | 150.6 Ų | 150.6 | 68% | 0.682 | 82% | 0.82 | S | S | * | * | trans | -97.2 | 98.3 | 165.1 | -60.9 | 178.9 | 0 | 0 | 0 | 107.1 | P893 F897 | P893-I895 PolarHBondContact O-N 2.75Å; I895-F897 PolarHBondContact O-N 2.7Å | ||
| 896 | T | 24.9 | Very low | 30.1 | Very low | 122 Ų | 122 | 154.3 Ų | 154.3 | 75% | 0.748 | 83% | 0.828 | S | S | * | * | trans | -58.5 | 115.9 | 162.5 | 25.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 897 | F | 32.3 | Very low | 29.8 | Very low | 196 Ų | 196 | 156.2 Ų | 156.2 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | trans | -75.6 | 128.8 | 164.6 | -81.6 | -90.9 | 0 | 0 | 0 | 109.5 | I895 | I895-F897 PolarHBondContact O-N 2.7Š| ||
| 898 | A | 31.2 | Very low | 29.6 | Very low | 170 Ų | 170 | 152 Ų | 152 | 100% | 1.405 | 82% | 0.821 | S | S | * | * | trans | -97.3 | 0 | 158 | 0 | 0 | 0 | 0 | 0 | 108.7 |
Retrieved 898 of 898 residues in 1606.3 ms
(Link to these results)