| 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 | 32.2 | Very low | 49.4 | Very low | 246 Ų | 246 | 142.9 Ų | 142.9 | 100% | 1.212 | 76% | 0.763 | S | S | * | * | 0 | 96.1 | 0 | -68.5 | -178.3 | 173.9 | 0 | 0 | 108.8 | K3 | M1-K3 PolarHBondContact O-N 3.07Š| |||
| 2 | T | 34.8 | Very low | 52.3 | Low | 138 Ų | 138 | 141 Ų | 141 | 85% | 0.847 | 75% | 0.746 | S | S | * | * | trans | -71.1 | 118.8 | 173.7 | 32.5 | 0 | 0 | 0 | 0 | 108.6 | T4 | T2-T4 PolarHBondContact O-N 2.9Å; T2-T4 VanDerWaalsContact O-N 3.14Å | ||
| 3 | K | 37.6 | Very low | 55 | Low | 199 Ų | 199 | 136.7 Ų | 136.7 | 87% | 0.865 | 71% | 0.713 | S | S | * | * | trans | -70.9 | 106.4 | 172.9 | -74.5 | -177.9 | 176.6 | 179.6 | 0 | 107.8 | M1 V5 | M1-K3 PolarHBondContact O-N 3.07Å; K3-V5 PolarHBondContact O-N 3.5Å | ||
| 4 | T | 39.9 | Very low | 57.5 | Low | 129 Ų | 129 | 128.6 Ų | 128.6 | 79% | 0.791 | 67% | 0.67 | S | S | * | * | trans | -61.9 | 106.2 | 170.3 | -46.4 | 0 | 0 | 0 | 0 | 108.3 | T2 C6 | T2-T4 PolarHBondContact O-N 2.9Å; T2-T4 VanDerWaalsContact O-N 3.14Å; T4-C6 PolarHBondContact O-N 2.72Å | ||
| 5 | V | 53.4 | Low | 59.7 | Low | 67 Ų | 67 | 122.1 Ų | 122.1 | 41% | 0.406 | 64% | 0.639 | S | S | . | * | trans | -75.6 | 107.9 | 171.6 | 178.5 | 0 | 0 | 0 | 0 | 106.4 | K3 L7 P192 | K3-V5 PolarHBondContact O-N 3.5Å; V5-L7 VanDerWaalsContact C-N 3.33Å; V5-L7 HydrophobicContact CG1-CD2 4.12Å; V5-L7 PolarHBondContact O-N 2.99Å; V5-P192 HydrophobicContact CG2-CG 4.38Å | ||
| 6 | C | 45.9 | Very low | 61.8 | Low | 113 Ų | 113 | 117.5 Ų | 117.5 | 76% | 0.764 | 61% | 0.611 | S | S | * | * | trans | -66.3 | 94.9 | 169.5 | -68.8 | 0 | 0 | 0 | 0 | 108.5 | T4 K8 | T4-C6 PolarHBondContact O-N 2.72Å; C6-K8 PolarHBondContact O-N 3.05Å | ||
| 7 | L | 51.3 | Low | 63.6 | Low | 122 Ų | 122 | 110.6 Ų | 110.6 | 64% | 0.639 | 58% | 0.575 | S | S | * | * | trans | -65.5 | 118.9 | 169 | -63.4 | 173.5 | 0 | 0 | 0 | 107.5 | V5 | V5-L7 VanDerWaalsContact C-N 3.33Å; V5-L7 HydrophobicContact CG1-CD2 4.12Å; V5-L7 PolarHBondContact O-N 2.99Å | ||
| 8 | K | 57.7 | Low | 65.2 | Low | 142 Ų | 142 | 107.3 Ų | 107.3 | 62% | 0.617 | 56% | 0.557 | S | S | * | * | trans | -66.7 | 144.7 | 169 | -71.9 | 176.4 | 176.4 | -179.7 | 0 | 108.1 | C6 S10 Q19 | C6-K8 PolarHBondContact O-N 3.05Å; K8-S10 PolarHBondContact O-N 3.23Å; K8-Q19 WeakPolarHBondContact CD-O 3.46Å | ||
| 9 | N | 57.5 | Low | 66.6 | Low | 134 Ų | 134 | 104.3 Ų | 104.3 | 72% | 0.717 | 54% | 0.54 | S | S | * | . | trans | -29.8 | 109.9 | -175.5 | -96.5 | 0.8 | 0 | 0 | 0 | 112.9 | H11 E12 | N9-H11 PolarHBondContact O-N 3.05Å; N9-E12 PolarHBondContact O-N 2.93Å | ||
| 10 | S | 61.9 | Low | 67.9 | Low | 97 Ų | 97 | 102 Ų | 102 | 68% | 0.678 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -10.3 | -176.3 | 51.6 | 0 | 0 | 0 | 0 | 114.1 | K8 | K8-S10 PolarHBondContact O-N 3.23Š|
| 11 | H | 71.5 | Confident | 69 | Low | 185 Ų | 185 | 98.1 Ų | 98.1 | 86% | 0.856 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -7.6 | -178.8 | -67.4 | -43.5 | 0 | 0 | 0 | 114.6 | N9 | N9-H11 PolarHBondContact O-N 3.05Š|
| 12 | E | 83.6 | Confident | 71.9 | Confident | 120 Ų | 120 | 91.8 Ų | 91.8 | 56% | 0.561 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -89.1 | 126.8 | 176.1 | -163.1 | 178.9 | 165.7 | 0 | 0 | 110.8 | N9 H14 Y20 | N9-E12 PolarHBondContact O-N 2.93Å; E12-H14 VanDerWaalsContact CD-CE1 3.48Å; E12-H14 IonicContact OE1-CE1 3.99Å; E12-H14 IonicContact OE2-CE1 2.72Å; E12-Y20 WeakPolarHBondContact O-CE1 3.42Å |
| 13 | W | 87.1 | Confident | 74.8 | Confident | 85 Ų | 85 | 85.2 Ų | 85.2 | 32% | 0.322 | 43% | 0.432 | S | S | . | . | trans | -75.1 | 131.5 | 175.8 | 177 | 84.6 | 0 | 0 | 0 | 110.8 | P15 F221 R222 R223 | W13-P15 HydrophobicContact CH2-CB 3.75Å; W13-P15 HydrophobicContact CH2-CG 4.3Å; W13-P15 HydrophobicContact CZ2-CB 4.17Å; W13-P15 HydrophobicContact CZ3-CB 4.35Å; W13-P15 HydrophobicContact CZ3-CG 4.42Å; W13-F221 HydrophobicContact CZ2-CB 4.35Å; W13-F221 WeakPolarHBondContact CZ2-O 3.25Å; W13-R222 VanDerWaalsContact CZ2-C 3.47Å; W13-R222 PolarHBondContact NE1-O 3.01Å; W13-R223 HydrophobicContact CD2-CB 4.42Å; W13-R223 HydrophobicContact CD2-CG 4.24Å; W13-R223 HydrophobicContact CE3-CG 4.42Å; W13-R223 HydrophobicContact CH2-CB 4.28Å; W13-R223 HydrophobicContact CZ2-CB 4.04Å | ||
| 14 | H | 90.1 | Very high | 77.5 | Confident | 23 Ų | 23 | 78 Ų | 78 | 11% | 0.106 | 40% | 0.403 | C | S | . | . | trans | -128.1 | 138.1 | 174.9 | -62.2 | -46.7 | 0 | 0 | 0 | 111.3 | E12 Y16 Q19 Y20 | E12-H14 VanDerWaalsContact CD-CE1 3.48Å; E12-H14 IonicContact OE1-CE1 3.99Å; E12-H14 IonicContact OE2-CE1 2.72Å; H14-Y16 VanDerWaalsContact C-N 3.27Å; H14-Y16 PolarHBondContact O-N 3.43Å; H14-Q19 HydrophobicContact CB-CB 3.7Å; H14-Q19 HydrophobicContact CB-CG 4.4Å; H14-Y20 HydrophobicContact CB-CD2 4.3Å; H14-Y20 HydrophobicContact CB-CE1 4.39Å; H14-Y20 HydrophobicContact CB-CE2 3.75Å; H14-Y20 PolarHBondContact N-OH 3.45Å; H14-Y20 WeakPolarHBondContact O-CE2 3.33Å; H14-Y20 PolarHBondContact O-OH 3.44Å; H14-Y20 VanDerWaalsContact O-OH 3.09Å | ||
| 15 | P | 90.5 | Very high | 80.2 | Confident | 31 Ų | 31 | 72.2 Ų | 72.2 | 20% | 0.201 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -69.8 | -22.7 | 178 | 26.6 | -33.6 | 0 | 0 | 0 | 113.3 | W13 P220 F221 | W13-P15 HydrophobicContact CH2-CB 3.75Å; W13-P15 HydrophobicContact CH2-CG 4.3Å; W13-P15 HydrophobicContact CZ2-CB 4.17Å; W13-P15 HydrophobicContact CZ3-CB 4.35Å; W13-P15 HydrophobicContact CZ3-CG 4.42Å; P15-P220 HydrophobicContact CB-CB 3.97Å; P15-P220 CarbonylContact O-C 3.52Å; P15-P220 WeakPolarHBondContact O-CA 3.27Å; P15-P220 WeakPolarHBondContact O-CB 3.48Å; P15-F221 PolarHBondContact O-N 3.35Å |
| 16 | Y | 93 | Very high | 82.2 | Confident | 49 Ų | 49 | 69.5 Ų | 69.5 | 19% | 0.192 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -118.2 | 135.2 | -175.2 | -49.7 | -63.7 | 0 | 0 | 0 | 112.5 | H14 H18 Q19 G215 I217 P220 | H14-Y16 VanDerWaalsContact C-N 3.27Å; H14-Y16 PolarHBondContact O-N 3.43Å; Y16-H18 VanDerWaalsContact C-N 3.25Å; Y16-H18 PolarHBondContact O-N 3.04Å; Y16-Q19 WeakPolarHBondContact O-CB 3.43Å; Y16-Q19 PolarHBondContact O-N 2.95Å; Y16-Q19 VanDerWaalsContact O-N 3.08Å; Y16-G215 CarbonylContact C-O 3.6Å; Y16-G215 WeakPolarHBondContact CA-O 3.47Å; Y16-I217 HydrophobicContact CD1-CG1 4.49Å; Y16-I217 HydrophobicContact CE1-CG1 4.15Å; Y16-P220 HydrophobicContact CD1-CB 4.31Å; Y16-P220 HydrophobicContact CE1-CB 3.98Å |
| 17 | V | 93.6 | Very high | 84.4 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.006 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.7 | -36.4 | -175.1 | 69.4 | 0 | 0 | 0 | 0 | 112.6 | Q19 Y20 Y23 V28 L191 L203 G215 F221 | V17-Q19 PolarHBondContact O-N 3.3Å; V17-Q19 VanDerWaalsContact O-N 3.1Å; V17-Y20 PolarHBondContact O-N 3.44Å; V17-Y20 VanDerWaalsContact O-N 3.15Å; V17-Y23 HydrophobicContact CG2-CD2 4.12Å; V17-V28 HydrophobicContact CB-CG1 4.26Å; V17-V28 HydrophobicContact CG2-CG1 3.69Å; V17-L191 HydrophobicContact CG1-CD2 3.93Å; V17-L191 HydrophobicContact CG2-CD2 4.48Å; V17-L203 HydrophobicContact CG1-CD1 3.92Å; V17-L203 HydrophobicContact CG1-CD2 4.02Å; V17-G215 WeakPolarHBondContact CG1-O 3.35Å; V17-G215 PolarHBondContact N-O 2.88Å; V17-F221 HydrophobicContact CB-CE2 4.24Å |
| 18 | H | 92.2 | Very high | 86.5 | Confident | 51 Ų | 51 | 60.2 Ų | 60.2 | 24% | 0.236 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66 | -18.1 | -176.8 | 83.2 | 80 | 0 | 0 | 0 | 112.9 | Y16 G21 R152 F187 | Y16-H18 VanDerWaalsContact C-N 3.25Å; Y16-H18 PolarHBondContact O-N 3.04Å; H18-G21 PolarHBondContact O-N 3.39Å; H18-R152 PolarHBondContact CD2-NH2 3.06Å; H18-R152 PolarHBondContact CE1-NH1 3.26Å; H18-R152 PolarHBondContact NE2-NH1 3.39Å; H18-R152 PolarHBondContact NE2-NH2 3.47Å; H18-F187 HydrophobicContact CB-CD1 4.44Å; H18-F187 HydrophobicContact CB-CE1 3.55Å; H18-F187 HydrophobicContact CB-CZ 4.17Å |
| 19 | Q | 91.7 | Very high | 88.2 | Confident | 50 Ų | 50 | 53.6 Ų | 53.6 | 23% | 0.234 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -75.1 | -30.1 | 178.7 | -62.2 | 176 | -77.7 | 0 | 0 | 111.6 | K8 H14 Y16 V17 G21 | K8-Q19 WeakPolarHBondContact CD-O 3.46Å; H14-Q19 HydrophobicContact CB-CB 3.7Å; H14-Q19 HydrophobicContact CB-CG 4.4Å; Y16-Q19 WeakPolarHBondContact O-CB 3.43Å; Y16-Q19 PolarHBondContact O-N 2.95Å; Y16-Q19 VanDerWaalsContact O-N 3.08Å; V17-Q19 PolarHBondContact O-N 3.3Å; V17-Q19 VanDerWaalsContact O-N 3.1Å; Q19-G21 PolarHBondContact O-N 2.95Å |
| 20 | Y | 91.8 | Very high | 89.9 | Confident | 58 Ų | 58 | 47.3 Ų | 47.3 | 23% | 0.227 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -71.6 | -18 | 172.8 | -62.3 | -81.8 | 0 | 0 | 0 | 112.8 | E12 H14 V17 Y22 F221 | E12-Y20 WeakPolarHBondContact O-CE1 3.42Å; H14-Y20 HydrophobicContact CB-CD2 4.3Å; H14-Y20 HydrophobicContact CB-CE1 4.39Å; H14-Y20 HydrophobicContact CB-CE2 3.75Å; H14-Y20 PolarHBondContact N-OH 3.45Å; H14-Y20 WeakPolarHBondContact O-CE2 3.33Å; H14-Y20 PolarHBondContact O-OH 3.44Å; H14-Y20 VanDerWaalsContact O-OH 3.09Å; V17-Y20 PolarHBondContact O-N 3.44Å; V17-Y20 VanDerWaalsContact O-N 3.15Å; Y20-Y22 VanDerWaalsContact C-N 3.26Å; Y20-Y22 PolarHBondContact O-N 2.86Å; Y20-F221 HydrophobicContact CD2-CE2 4.46Å; Y20-F221 HydrophobicContact CE2-CD2 4.02Å; Y20-F221 AromaticContact CE2-CE2 3.92Å; Y20-F221 HydrophobicContact CE2-CE2 3.92Å |
| 21 | G | 92.2 | Very high | 91.3 | Very high | 21 Ų | 21 | 46 Ų | 46 | 22% | 0.216 | 22% | 0.22 | C | C | . | . | S | Bend | trans | 81.1 | -5.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | H18 Q19 P192 | H18-G21 PolarHBondContact O-N 3.39Å; Q19-G21 PolarHBondContact O-N 2.95Å; G21-P192 WeakPolarHBondContact O-CD 3.48Å |
| 22 | Y | 93.4 | Very high | 92.2 | Very high | 112 Ų | 112 | 38.6 Ų | 38.6 | 44% | 0.439 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -139.9 | 142.7 | 175.6 | -172.1 | -93.5 | 0 | 0 | 0 | 110.7 | Y20 D24 P192 | Y20-Y22 VanDerWaalsContact C-N 3.26Å; Y20-Y22 PolarHBondContact O-N 2.86Å; Y22-D24 HydrophobicContact CD1-CB 4.34Å; Y22-D24 HydrophobicContact CE1-CB 4.33Å; Y22-P192 HydrophobicContact CD2-CB 3.79Å; Y22-P192 HydrophobicContact CE2-CB 4.14Å |
| 23 | Y | 95 | Very high | 92.5 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -97.2 | 112.2 | 174.4 | -178.4 | -86.9 | 0 | 0 | 0 | 110.1 | V17 P25 V28 L191 P192 G193 W194 R195 G201 G202 L203 | V17-Y23 HydrophobicContact CG2-CD2 4.12Å; Y23-P25 HydrophobicContact CD1-CG 4.47Å; Y23-P25 HydrophobicContact CE1-CG 4.08Å; Y23-V28 HydrophobicContact CD2-CG1 4.01Å; Y23-V28 HydrophobicContact CE1-CG2 4.36Å; Y23-V28 HydrophobicContact CE2-CB 4.34Å; Y23-V28 HydrophobicContact CE2-CG1 3.7Å; Y23-V28 HydrophobicContact CE2-CG2 3.97Å; Y23-V28 WeakPolarHBondContact OH-CG2 3.48Å; Y23-L191 HydrophobicContact CD2-CD2 4.09Å; Y23-L191 HydrophobicContact CG-CD2 4.4Å; Y23-P192 WeakPolarHBondContact CB-O 3.39Å; Y23-P192 PolarHBondContact N-O 2.98Å; Y23-G193 WeakPolarHBondContact CD1-O 3.48Å; Y23-W194 AromaticContact CD2-CE3 3.54Å; Y23-W194 HydrophobicContact CD2-CE3 3.54Å; Y23-W194 AromaticContact CD2-CZ3 3.86Å; Y23-W194 HydrophobicContact CD2-CZ3 3.86Å; Y23-W194 AromaticContact CE2-CE3 3.65Å; Y23-W194 HydrophobicContact CE2-CE3 3.65Å; Y23-W194 AromaticContact CE2-CZ3 3.61Å; Y23-W194 HydrophobicContact CE2-CZ3 3.61Å; Y23-W194 HydrophobicContact CG-CE3 4.09Å; Y23-R195 HydrophobicContact CE1-CB 3.99Å; Y23-R195 HydrophobicContact CE1-CG 4.4Å; Y23-G201 VanDerWaalsContact OH-C 3.22Å; Y23-G201 WeakPolarHBondContact OH-CA 3.37Å; Y23-G202 PolarHBondContact OH-N 3.38Å; Y23-G202 PolarHBondContact OH-O 2.84Å; Y23-L203 HydrophobicContact CE2-CD2 4.01Å; Y23-L203 HydrophobicContact CE2-CG 4.44Å | ||
| 24 | D | 94.5 | Very high | 92.6 | Very high | 47 Ų | 47 | 33.5 Ų | 33.5 | 25% | 0.251 | 18% | 0.177 | S | C | . | . | trans | -107.5 | 120.1 | 168.9 | 172.8 | 18.9 | 0 | 0 | 0 | 110 | Y22 V26 T27 V28 | Y22-D24 HydrophobicContact CD1-CB 4.34Å; Y22-D24 HydrophobicContact CE1-CB 4.33Å; D24-V26 PolarHBondContact O-N 3.33Å; D24-V26 VanDerWaalsContact O-N 3.13Å; D24-V26 PolarHBondContact OD1-N 3.29Å; D24-T27 HydrophobicContact CB-CG2 4.1Å; D24-T27 PolarHBondContact O-N 3.41Å; D24-T27 PolarHBondContact O-OG1 3.46Å; D24-T27 WeakPolarHBondContact OD2-CG2 3.42Å; D24-V28 WeakPolarHBondContact O-CG2 3.29Å; D24-V28 PolarHBondContact O-N 2.89Å | ||
| 25 | P | 95.7 | Very high | 92.6 | Very high | 8 Ų | 8 | 35.1 Ų | 35.1 | 5% | 0.052 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | -32.4 | 175 | -28.5 | 35.3 | 0 | 0 | 0 | 115.4 | Y23 V28 G29 I43 A46 L47 R195 | Y23-P25 HydrophobicContact CD1-CG 4.47Å; Y23-P25 HydrophobicContact CE1-CG 4.08Å; P25-V28 VanDerWaalsContact O-CG2 3.31Å; P25-V28 WeakPolarHBondContact O-CG2 3.17Å; P25-G29 PolarHBondContact O-N 3.46Å; P25-I43 HydrophobicContact CB-CG2 4.01Å; P25-A46 HydrophobicContact CB-CB 3.7Å; P25-A46 HydrophobicContact CG-CB 3.72Å; P25-L47 HydrophobicContact CB-CD2 4.27Å; P25-L47 HydrophobicContact CB-CG 4.34Å; P25-L47 HydrophobicContact CG-CD2 4.12Å; P25-L47 HydrophobicContact CG-CG 4.47Å; P25-R195 HydrophobicContact CG-CG 4.37Å |
| 26 | V | 94.8 | Very high | 92.5 | Very high | 10 Ų | 10 | 39.7 Ų | 39.7 | 6% | 0.061 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -52.6 | -178.9 | -173.7 | 0 | 0 | 0 | 0 | 110.2 | D24 V28 G29 S30 D35 I43 L47 | D24-V26 PolarHBondContact O-N 3.33Å; D24-V26 VanDerWaalsContact O-N 3.13Å; D24-V26 PolarHBondContact OD1-N 3.29Å; V26-V28 VanDerWaalsContact C-N 3.33Å; V26-V28 PolarHBondContact O-N 2.88Å; V26-G29 WeakPolarHBondContact O-CA 3.4Å; V26-G29 PolarHBondContact O-N 3.21Å; V26-S30 PolarHBondContact O-N 3.16Å; V26-D35 HydrophobicContact CG1-CB 4.25Å; V26-D35 WeakPolarHBondContact CG1-O 3.26Å; V26-I43 HydrophobicContact CB-CG2 4.48Å; V26-I43 HydrophobicContact CG2-CG2 3.86Å; V26-L47 HydrophobicContact CG2-CD1 3.85Å; V26-L47 HydrophobicContact CG2-CD2 4.16Å; V26-L47 HydrophobicContact CG2-CG 4.4Å |
| 27 | T | 93.5 | Very high | 92.5 | Very high | 40 Ų | 40 | 41.9 Ų | 41.9 | 25% | 0.245 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -54.5 | -46.8 | 177.6 | 60.1 | 0 | 0 | 0 | 0 | 112.2 | D24 G29 S30 F221 | D24-T27 HydrophobicContact CB-CG2 4.1Å; D24-T27 PolarHBondContact O-N 3.41Å; D24-T27 PolarHBondContact O-OG1 3.46Å; D24-T27 WeakPolarHBondContact OD2-CG2 3.42Å; T27-G29 PolarHBondContact O-N 3.4Å; T27-S30 WeakPolarHBondContact O-CB 3.42Å; T27-S30 PolarHBondContact O-N 2.97Å; T27-F221 VanDerWaalsContact O-CE1 3.31Å; T27-F221 WeakPolarHBondContact O-CE1 2.84Å |
| 28 | V | 94.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -69.5 | -17.2 | 178.5 | -60.1 | 0 | 0 | 0 | 0 | 113 | V17 Y23 D24 P25 V26 S30 L203 R213 F214 F221 | V17-V28 HydrophobicContact CB-CG1 4.26Å; V17-V28 HydrophobicContact CG2-CG1 3.69Å; Y23-V28 HydrophobicContact CD2-CG1 4.01Å; Y23-V28 HydrophobicContact CE1-CG2 4.36Å; Y23-V28 HydrophobicContact CE2-CB 4.34Å; Y23-V28 HydrophobicContact CE2-CG1 3.7Å; Y23-V28 HydrophobicContact CE2-CG2 3.97Å; Y23-V28 WeakPolarHBondContact OH-CG2 3.48Å; D24-V28 WeakPolarHBondContact O-CG2 3.29Å; D24-V28 PolarHBondContact O-N 2.89Å; P25-V28 VanDerWaalsContact O-CG2 3.31Å; P25-V28 WeakPolarHBondContact O-CG2 3.17Å; V26-V28 VanDerWaalsContact C-N 3.33Å; V26-V28 PolarHBondContact O-N 2.88Å; V28-S30 VanDerWaalsContact C-N 3.32Å; V28-L203 HydrophobicContact CB-CD2 4.38Å; V28-L203 HydrophobicContact CG1-CD2 4.03Å; V28-R213 CarbonylContact O-C 3.39Å; V28-R213 WeakPolarHBondContact O-CA 3.45Å; V28-F214 PolarHBondContact O-N 3.17Å; V28-F221 HydrophobicContact CG1-CZ 4.16Å |
| 29 | G | 94 | Very high | 92.3 | Very high | 4 Ų | 4 | 46.4 Ų | 46.4 | 4% | 0.041 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -68.2 | -37.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | P25 V26 T27 H39 F214 | P25-G29 PolarHBondContact O-N 3.46Å; V26-G29 WeakPolarHBondContact O-CA 3.4Å; V26-G29 PolarHBondContact O-N 3.21Å; T27-G29 PolarHBondContact O-N 3.4Å; G29-H39 VanDerWaalsContact C-CE1 3.43Å; G29-H39 PolarHBondContact O-CE1 3.06Å; G29-H39 VanDerWaalsContact O-CE1 3.28Å; G29-F214 WeakPolarHBondContact O-CD2 3.43Å; G29-F214 WeakPolarHBondContact O-CE2 3.48Å |
| 30 | S | 93 | Very high | 92.3 | Very high | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.014 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -74.9 | 142.8 | -177 | -169.7 | 0 | 0 | 0 | 0 | 111.9 | V26 T27 V28 D32 G33 T34 D35 F214 F221 | V26-S30 PolarHBondContact O-N 3.16Å; T27-S30 WeakPolarHBondContact O-CB 3.42Å; T27-S30 PolarHBondContact O-N 2.97Å; V28-S30 VanDerWaalsContact C-N 3.32Å; S30-D32 VanDerWaalsContact C-N 3.28Å; S30-D32 PolarHBondContact O-N 3.42Å; S30-D32 PolarHBondContact OG-OD1 2.95Å; S30-G33 PolarHBondContact OG-N 3.46Å; S30-T34 PolarHBondContact OG-N 3.27Å; S30-D35 VanDerWaalsContact CB-OD1 3.26Å; S30-D35 WeakPolarHBondContact CB-OD1 3.47Å; S30-D35 PolarHBondContact OG-N 3.16Å; S30-D35 PolarHBondContact OG-OD1 3.24Å; S30-F214 VanDerWaalsContact C-CD2 3.47Å; S30-F214 WeakPolarHBondContact O-CB 3.33Å; S30-F214 WeakPolarHBondContact O-CD2 3.42Å; S30-F214 WeakPolarHBondContact O-CG 3.31Å; S30-F221 WeakPolarHBondContact O-CE1 3.22Å |
| 31 | I | 91.3 | Very high | 92.4 | Very high | 68 Ų | 68 | 53 Ų | 53 | 35% | 0.349 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -65 | -32.7 | 178.7 | -171 | 164.4 | 0 | 0 | 0 | 112.7 | F214 F221 R222 | I31-F214 HydrophobicContact CB-CD1 4.48Å; I31-F214 HydrophobicContact CB-CD2 4.45Å; I31-F214 HydrophobicContact CB-CE1 4.12Å; I31-F214 HydrophobicContact CB-CE2 4.06Å; I31-F214 HydrophobicContact CB-CZ 3.89Å; I31-F214 HydrophobicContact CD1-CE1 4.18Å; I31-F214 HydrophobicContact CD1-CZ 4.3Å; I31-F214 HydrophobicContact CG1-CD1 4.11Å; I31-F214 HydrophobicContact CG1-CE1 3.68Å; I31-F214 HydrophobicContact CG1-CZ 3.91Å; I31-F221 CarbonylContact O-C 3.5Å; I31-F221 VanDerWaalsContact O-CA 3.31Å; I31-F221 WeakPolarHBondContact O-CA 3.49Å; I31-R222 HydrophobicContact CD1-CG 4.22Å; I31-R222 HydrophobicContact CG1-CB 4.24Å; I31-R222 HydrophobicContact CG1-CG 3.88Å; I31-R222 PolarHBondContact O-N 3.42Å |
| 32 | D | 90.7 | Very high | 92.5 | Very high | 30 Ų | 30 | 52.6 Ų | 52.6 | 16% | 0.16 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -112.3 | -3.1 | -178.3 | 62.2 | 3.5 | 0 | 0 | 0 | 113.3 | S30 T34 R222 P224 | S30-D32 VanDerWaalsContact C-N 3.28Å; S30-D32 PolarHBondContact O-N 3.42Å; S30-D32 PolarHBondContact OG-OD1 2.95Å; D32-T34 HydrophobicContact CB-CG2 4.48Å; D32-T34 VanDerWaalsContact CG-OG1 3.3Å; D32-T34 WeakPolarHBondContact OD1-CB 3.48Å; D32-T34 WeakPolarHBondContact OD1-CG2 3.29Å; D32-T34 PolarHBondContact OD1-N 3.25Å; D32-T34 VanDerWaalsContact OD1-N 3.11Å; D32-T34 PolarHBondContact OD1-OG1 3.3Å; D32-T34 PolarHBondContact OD2-OG1 3.34Å; D32-R222 VanDerWaalsContact CA-O 3.24Å; D32-R222 WeakPolarHBondContact CA-O 3.29Å; D32-R222 VanDerWaalsContact CB-O 3.23Å; D32-R222 WeakPolarHBondContact CB-O 3.48Å; D32-P224 HydrophobicContact CB-CG 4.07Å |
| 33 | G | 89.8 | Confident | 92.6 | Very high | 19 Ų | 19 | 47.2 Ų | 47.2 | 20% | 0.196 | 26% | 0.255 | C | S | . | . | S | Bend | trans | 86.8 | 9.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | S30 | S30-G33 PolarHBondContact OG-N 3.46Š|
| 34 | T | 89 | Confident | 92.6 | Very high | 79 Ų | 79 | 52 Ų | 52 | 49% | 0.485 | 28% | 0.277 | S | S | . | . | trans | -96.7 | -13.7 | -170.9 | 65.4 | 0 | 0 | 0 | 0 | 115 | S30 D32 T36 P224 | S30-T34 PolarHBondContact OG-N 3.27Å; D32-T34 HydrophobicContact CB-CG2 4.48Å; D32-T34 VanDerWaalsContact CG-OG1 3.3Å; D32-T34 WeakPolarHBondContact OD1-CB 3.48Å; D32-T34 WeakPolarHBondContact OD1-CG2 3.29Å; D32-T34 PolarHBondContact OD1-N 3.25Å; D32-T34 VanDerWaalsContact OD1-N 3.11Å; D32-T34 PolarHBondContact OD1-OG1 3.3Å; D32-T34 PolarHBondContact OD2-OG1 3.34Å; T34-T36 PolarHBondContact O-N 3.1Å; T34-P224 HydrophobicContact CG2-CB 4.27Å; T34-P224 HydrophobicContact CG2-CG 3.84Å | ||
| 35 | D | 89.3 | Confident | 92.7 | Very high | 57 Ų | 57 | 55.3 Ų | 55.3 | 31% | 0.305 | 29% | 0.287 | S | S | . | . | trans | -59.5 | 139.7 | -179.5 | -62.6 | 7.7 | 0 | 0 | 0 | 111 | V26 S30 H39 | V26-D35 HydrophobicContact CG1-CB 4.25Å; V26-D35 WeakPolarHBondContact CG1-O 3.26Å; S30-D35 VanDerWaalsContact CB-OD1 3.26Å; S30-D35 WeakPolarHBondContact CB-OD1 3.47Å; S30-D35 PolarHBondContact OG-N 3.16Å; S30-D35 PolarHBondContact OG-OD1 3.24Å; D35-H39 IonicContact OD2-CE1 2.87Å; D35-H39 IonicContact OD2-ND1 2.98Å; D35-H39 PolarHBondContact OD2-ND1 3.42Å | ||
| 36 | T | 89.8 | Confident | 92.7 | Very high | 128 Ų | 128 | 55 Ų | 55 | 79% | 0.785 | 28% | 0.284 | S | S | * | . | trans | -109.5 | -12.9 | 175.1 | 55.1 | 0 | 0 | 0 | 0 | 112.6 | T34 | T34-T36 PolarHBondContact O-N 3.1Š| ||
| 37 | T | 91.9 | Very high | 92.7 | Very high | 94 Ų | 94 | 58.5 Ų | 58.5 | 58% | 0.577 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -118.7 | 140.5 | -177.5 | 60.9 | 0 | 0 | 0 | 0 | 110.9 | H39 | T37-H39 PolarHBondContact O-N 3.04Š|
| 38 | P | 92.4 | Very high | 92.8 | Very high | 45 Ų | 45 | 62.6 Ų | 62.6 | 29% | 0.292 | 33% | 0.328 | S | S | . | . | trans | -71.3 | 117.3 | 178.1 | 29.3 | -34.2 | 0 | 0 | 0 | 110.1 | I43 Q44 L47 | P38-I43 HydrophobicContact CB-CB 3.95Å; P38-I43 HydrophobicContact CB-CG2 3.57Å; P38-Q44 HydrophobicContact CB-CG 3.88Å; P38-Q44 HydrophobicContact CG-CG 3.9Å; P38-L47 HydrophobicContact CB-CD1 4.45Å | ||
| 39 | H | 89.5 | Confident | 92.9 | Very high | 102 Ų | 102 | 63.4 Ų | 63.4 | 47% | 0.472 | 33% | 0.334 | S | S | . | . | trans | -87.6 | -9.9 | 179.3 | 61.1 | -101.4 | 0 | 0 | 0 | 114 | G29 D35 T37 I43 | G29-H39 VanDerWaalsContact C-CE1 3.43Å; G29-H39 PolarHBondContact O-CE1 3.06Å; G29-H39 VanDerWaalsContact O-CE1 3.28Å; D35-H39 IonicContact OD2-CE1 2.87Å; D35-H39 IonicContact OD2-ND1 2.98Å; D35-H39 PolarHBondContact OD2-ND1 3.42Å; T37-H39 PolarHBondContact O-N 3.04Å; H39-I43 WeakPolarHBondContact CE1-CD1 3.32Å | ||
| 40 | D | 92.1 | Very high | 92.8 | Very high | 30 Ų | 30 | 68.3 Ų | 68.3 | 16% | 0.16 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -136.1 | 156.9 | 177.1 | 78.4 | 42.9 | 0 | 0 | 0 | 113.4 | A42 I43 Q44 R213 | D40-A42 PolarHBondContact O-N 3.3Å; D40-A42 VanDerWaalsContact OD1-CA 3.22Å; D40-A42 WeakPolarHBondContact OD1-CA 3.47Å; D40-A42 VanDerWaalsContact OD1-CB 3.25Å; D40-A42 WeakPolarHBondContact OD1-CB 3.24Å; D40-A42 PolarHBondContact OD1-N 3.02Å; D40-I43 PolarHBondContact O-N 3.49Å; D40-I43 WeakPolarHBondContact OD1-CG1 3.33Å; D40-I43 PolarHBondContact OD1-N 3.21Å; D40-Q44 PolarHBondContact O-N 3.34Å; D40-R213 IonicContact OD1-CZ 3.48Å; D40-R213 IonicContact OD1-NH2 2.94Å; D40-R213 PolarHBondContact OD1-NH2 3.33Å; D40-R213 IonicContact OD2-CZ 3.18Å; D40-R213 VanDerWaalsContact OD2-CZ 3.23Å; D40-R213 IonicContact OD2-NH1 3.63Å; D40-R213 PolarHBondContact OD2-NH1 3.01Å; D40-R213 IonicContact OD2-NH2 3.66Å; D40-R213 PolarHBondContact OD2-NH2 3.38Å |
| 41 | R | 93.9 | Very high | 92.7 | Very high | 217 Ų | 217 | 71.1 Ų | 71.1 | 82% | 0.819 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -63.9 | -23.8 | 178.6 | -71.3 | -172.1 | 178.7 | 159.4 | 0.3 | 113.3 | R45 | R41-R45 WeakPolarHBondContact O-CB 3.37Å; R41-R45 PolarHBondContact O-N 3.45Å |
| 42 | A | 94.7 | Very high | 92.6 | Very high | 12 Ų | 12 | 76.7 Ų | 76.7 | 10% | 0.099 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -74.5 | -34.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | D40 R45 A46 G200 Q211 | D40-A42 PolarHBondContact O-N 3.3Å; D40-A42 VanDerWaalsContact OD1-CA 3.22Å; D40-A42 WeakPolarHBondContact OD1-CA 3.47Å; D40-A42 VanDerWaalsContact OD1-CB 3.25Å; D40-A42 WeakPolarHBondContact OD1-CB 3.24Å; D40-A42 PolarHBondContact OD1-N 3.02Å; A42-R45 PolarHBondContact O-N 3.03Å; A42-A46 WeakPolarHBondContact O-CB 3.38Å; A42-A46 PolarHBondContact O-N 3.24Å; A42-G200 VanDerWaalsContact O-CA 3.29Å; A42-G200 WeakPolarHBondContact O-CA 3.1Å; A42-Q211 HydrophobicContact CB-CG 4.31Å |
| 43 | I | 95 | Very high | 92.2 | Very high | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.5 | -46.9 | 171.2 | -63.6 | 175.8 | 0 | 0 | 0 | 109.1 | P25 V26 P38 H39 D40 R45 A46 L47 R213 | P25-I43 HydrophobicContact CB-CG2 4.01Å; V26-I43 HydrophobicContact CB-CG2 4.48Å; V26-I43 HydrophobicContact CG2-CG2 3.86Å; P38-I43 HydrophobicContact CB-CB 3.95Å; P38-I43 HydrophobicContact CB-CG2 3.57Å; H39-I43 WeakPolarHBondContact CE1-CD1 3.32Å; D40-I43 PolarHBondContact O-N 3.49Å; D40-I43 WeakPolarHBondContact OD1-CG1 3.33Å; D40-I43 PolarHBondContact OD1-N 3.21Å; I43-R45 VanDerWaalsContact C-N 3.31Å; I43-R45 PolarHBondContact O-N 2.95Å; I43-A46 WeakPolarHBondContact O-CA 3.45Å; I43-A46 WeakPolarHBondContact O-CB 3.26Å; I43-A46 PolarHBondContact O-N 2.73Å; I43-L47 HydrophobicContact CG2-CD1 4.15Å; I43-L47 HydrophobicContact CG2-CG 4.39Å; I43-L47 WeakPolarHBondContact O-CG 3.25Å; I43-L47 PolarHBondContact O-N 2.93Å; I43-R213 VanDerWaalsContact CG1-CZ 3.47Å; I43-R213 VanDerWaalsContact CG1-NH2 3.31Å |
| 44 | Q | 95.6 | Very high | 91.5 | Very high | 99 Ų | 99 | 84.6 Ų | 84.6 | 46% | 0.463 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -56.3 | -45.7 | 175.6 | -66.7 | 179.1 | -26.9 | 0 | 0 | 111.6 | P38 D40 A46 L47 T48 | P38-Q44 HydrophobicContact CB-CG 3.88Å; P38-Q44 HydrophobicContact CG-CG 3.9Å; D40-Q44 PolarHBondContact O-N 3.34Å; Q44-A46 VanDerWaalsContact C-N 3.32Å; Q44-A46 PolarHBondContact O-N 2.91Å; Q44-L47 PolarHBondContact O-N 3.3Å; Q44-T48 PolarHBondContact O-N 3.29Å; Q44-T48 VanDerWaalsContact O-N 3.1Å; Q44-T48 PolarHBondContact O-OG1 2.96Å |
| 45 | R | 95.9 | Very high | 90.1 | Very high | 117 Ų | 117 | 87.8 Ų | 87.8 | 44% | 0.442 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.8 | -38 | 173.9 | -175.6 | 174.5 | 62.4 | -132.7 | 1.8 | 112.6 | R41 A42 I43 T48 S49 L199 | R41-R45 WeakPolarHBondContact O-CB 3.37Å; R41-R45 PolarHBondContact O-N 3.45Å; A42-R45 PolarHBondContact O-N 3.03Å; I43-R45 VanDerWaalsContact C-N 3.31Å; I43-R45 PolarHBondContact O-N 2.95Å; R45-T48 PolarHBondContact O-OG1 3.43Å; R45-S49 WeakPolarHBondContact O-CB 3.35Å; R45-S49 PolarHBondContact O-N 3.3Å; R45-S49 PolarHBondContact O-OG 3.47Å; R45-L199 CarbonylContact C-O 3.46Å |
| 46 | A | 96 | Very high | 88.7 | Confident | 1 Ų | 1 | 86.6 Ų | 86.6 | 1% | 0.008 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -66.8 | -40.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | P25 A42 I43 Q44 S49 R195 L199 | P25-A46 HydrophobicContact CB-CB 3.7Å; P25-A46 HydrophobicContact CG-CB 3.72Å; A42-A46 WeakPolarHBondContact O-CB 3.38Å; A42-A46 PolarHBondContact O-N 3.24Å; I43-A46 WeakPolarHBondContact O-CA 3.45Å; I43-A46 WeakPolarHBondContact O-CB 3.26Å; I43-A46 PolarHBondContact O-N 2.73Å; Q44-A46 VanDerWaalsContact C-N 3.32Å; Q44-A46 PolarHBondContact O-N 2.91Å; A46-S49 WeakPolarHBondContact CA-OG 3.3Å; A46-S49 PolarHBondContact O-N 3.3Å; A46-S49 PolarHBondContact O-OG 2.86Å; A46-R195 HydrophobicContact CB-CB 4.39Å; A46-R195 HydrophobicContact CB-CG 4.37Å; A46-L199 WeakPolarHBondContact CA-O 3.37Å; A46-L199 PolarHBondContact N-O 3.23Å; A46-L199 VanDerWaalsContact N-O 3.15Å |
| 47 | L | 95.2 | Very high | 87.3 | Confident | 85 Ų | 85 | 85.9 Ų | 85.9 | 45% | 0.445 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 176.4 | -70.9 | 171 | 0 | 0 | 0 | 112.4 | P25 V26 P38 I43 Q44 | P25-L47 HydrophobicContact CB-CD2 4.27Å; P25-L47 HydrophobicContact CB-CG 4.34Å; P25-L47 HydrophobicContact CG-CD2 4.12Å; P25-L47 HydrophobicContact CG-CG 4.47Å; V26-L47 HydrophobicContact CG2-CD1 3.85Å; V26-L47 HydrophobicContact CG2-CD2 4.16Å; V26-L47 HydrophobicContact CG2-CG 4.4Å; P38-L47 HydrophobicContact CB-CD1 4.45Å; I43-L47 HydrophobicContact CG2-CD1 4.15Å; I43-L47 HydrophobicContact CG2-CG 4.39Å; I43-L47 WeakPolarHBondContact O-CG 3.25Å; I43-L47 PolarHBondContact O-N 2.93Å; Q44-L47 PolarHBondContact O-N 3.3Å |
| 48 | T | 95.6 | Very high | 85.9 | Confident | 125 Ų | 125 | 85.9 Ų | 85.9 | 77% | 0.767 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -80.6 | -17.5 | 178.7 | 59.1 | 0 | 0 | 0 | 0 | 113.4 | Q44 R45 | Q44-T48 PolarHBondContact O-N 3.29Å; Q44-T48 VanDerWaalsContact O-N 3.1Å; Q44-T48 PolarHBondContact O-OG1 2.96Å; R45-T48 PolarHBondContact O-OG1 3.43Å |
| 49 | S | 95.3 | Very high | 84.7 | Confident | 18 Ų | 18 | 85.2 Ų | 85.2 | 13% | 0.126 | 42% | 0.419 | C | S | . | . | trans | -79.5 | 148.9 | 179.4 | 72.6 | 0 | 0 | 0 | 0 | 113.1 | R45 A46 R195 | R45-S49 WeakPolarHBondContact O-CB 3.35Å; R45-S49 PolarHBondContact O-N 3.3Å; R45-S49 PolarHBondContact O-OG 3.47Å; A46-S49 WeakPolarHBondContact CA-OG 3.3Å; A46-S49 PolarHBondContact O-N 3.3Å; A46-S49 PolarHBondContact O-OG 2.86Å; S49-R195 VanDerWaalsContact O-CZ 3.25Å; S49-R195 PolarHBondContact O-NE 3.06Å; S49-R195 PolarHBondContact O-NH2 3.29Å; S49-R195 WeakPolarHBondContact OG-CD 3.5Å; S49-R195 PolarHBondContact OG-NE 2.97Å | ||
| 50 | S | 92.5 | Very high | 84 | Confident | 107 Ų | 107 | 92.2 Ų | 92.2 | 75% | 0.748 | 44% | 0.441 | S | S | * | . | trans | -106.7 | 144.5 | 164.1 | 67.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 51 | Y | 91.8 | Very high | 83.8 | Confident | 60 Ų | 60 | 93.7 Ų | 93.7 | 24% | 0.235 | 45% | 0.449 | C | S | . | . | trans | -134.7 | 128.9 | 175.1 | 177.8 | -110.2 | 0 | 0 | 0 | 109.6 | W194 P196 L199 | Y51-W194 WeakPolarHBondContact CD1-O 3.45Å; Y51-W194 AromaticContact CE1-CD1 3.84Å; Y51-P196 HydrophobicContact CD2-CG 3.8Å; Y51-P196 HydrophobicContact CE2-CG 3.93Å; Y51-P196 HydrophobicContact CG-CG 4.17Å; Y51-L199 HydrophobicContact CD2-CD1 4.27Å | ||
| 52 | K | 87.6 | Confident | 83.6 | Confident | 185 Ų | 185 | 84 Ų | 84 | 80% | 0.804 | 42% | 0.415 | S | S | * | . | trans | -116.8 | 124.3 | 169.1 | -170.8 | 176.2 | 179.3 | -178.5 | 0 | 107.5 | ||||
| 53 | S | 83.3 | Confident | 83.5 | Confident | 31 Ų | 31 | 89 Ų | 89 | 22% | 0.217 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 140.2 | 171.3 | 51.3 | 0 | 0 | 0 | 0 | 109.5 | G188 | S53-G188 VanDerWaalsContact CB-O 3.31Å; S53-G188 WeakPolarHBondContact CB-O 3.41Å; S53-G188 PolarHBondContact OG-O 2.99Å |
| 54 | K | 75.6 | Confident | 83.4 | Confident | 184 Ų | 184 | 89 Ų | 89 | 80% | 0.8 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -74.3 | 138.1 | 165.6 | -67.3 | -174.1 | 177.8 | -174.4 | 0 | 107.6 | ||
| 55 | D | 59.2 | Low | 83.4 | Confident | 147 Ų | 147 | 84.3 Ų | 84.3 | 79% | 0.786 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 145.6 | 177.9 | -71.2 | -33.3 | 0 | 0 | 0 | 111.1 | V57 | D55-V57 PolarHBondContact O-N 2.98Š|
| 56 | H | 60.9 | Low | 83.3 | Confident | 32 Ų | 32 | 78.8 Ų | 78.8 | 15% | 0.148 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 123.3 | -167.9 | -65.6 | -90.8 | 0 | 0 | 0 | 112.2 | F58 N59 A62 Y137 Y186 | H56-F58 PolarHBondContact O-N 3.36Å; H56-N59 WeakPolarHBondContact CB-O 3.19Å; H56-N59 VanDerWaalsContact CG-O 3.29Å; H56-A62 VanDerWaalsContact NE2-CA 3.27Å; H56-A62 WeakPolarHBondContact NE2-CA 3.36Å; H56-A62 WeakPolarHBondContact NE2-CB 3.31Å; H56-Y137 HydrophobicContact CB-CE1 4.35Å; H56-Y186 AromaticContact CE1-CD1 3.21Å; H56-Y186 WeakPolarHBondContact CE1-CD1 3.14Å; H56-Y186 AromaticContact CE1-CE1 3.03Å; H56-Y186 WeakPolarHBondContact CE1-CE1 3.4Å; H56-Y186 AromaticContact CE1-CZ 3.82Å; H56-Y186 AromaticContact NE2-CD1 3.83Å; H56-Y186 AromaticContact NE2-CE1 3.48Å; H56-Y186 WeakPolarHBondContact NE2-CE1 3.09Å |
| 57 | V | 60.3 | Low | 83.3 | Confident | 112 Ų | 112 | 81.4 Ų | 81.4 | 68% | 0.679 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -57 | -36.2 | 179.5 | -179.4 | 0 | 0 | 0 | 0 | 112.6 | D55 | D55-V57 PolarHBondContact O-N 2.98Š|
| 58 | F | 61.9 | Low | 83.3 | Confident | 94 Ų | 94 | 77.4 Ų | 77.4 | 41% | 0.412 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -117.1 | -21.9 | -168.8 | -64.4 | -75.7 | 0 | 0 | 0 | 116 | H56 H120 Y137 | H56-F58 PolarHBondContact O-N 3.36Å; F58-H120 HydrophobicContact CD2-CB 4.33Å; F58-H120 HydrophobicContact CE2-CB 3.9Å; F58-H120 AromaticContact CE2-ND1 3.86Å; F58-Y137 HydrophobicContact CB-CD1 3.91Å; F58-Y137 HydrophobicContact CB-CD2 3.73Å; F58-Y137 HydrophobicContact CB-CE1 4.05Å; F58-Y137 HydrophobicContact CB-CE2 3.92Å; F58-Y137 HydrophobicContact CB-CG 3.73Å; F58-Y137 AromaticContact CD2-CD2 3.86Å; F58-Y137 HydrophobicContact CD2-CD2 3.86Å; F58-Y137 AromaticContact CD2-CE2 3.37Å; F58-Y137 HydrophobicContact CD2-CE2 3.37Å; F58-Y137 AromaticContact CD2-CZ 3.77Å; F58-Y137 HydrophobicContact CE2-CE2 4.28Å; F58-Y137 HydrophobicContact CG-CD2 4.11Å; F58-Y137 HydrophobicContact CG-CE2 4.03Å |
| 59 | N | 66.6 | Low | 83.2 | Confident | 32 Ų | 32 | 71.5 Ų | 71.5 | 17% | 0.171 | 35% | 0.347 | C | S | . | . | trans | -149.6 | 123.5 | 177.9 | -170.7 | -20.9 | 0 | 0 | 0 | 110.6 | H56 N61 A64 Y137 F138 | H56-N59 WeakPolarHBondContact CB-O 3.19Å; H56-N59 VanDerWaalsContact CG-O 3.29Å; N59-N61 PolarHBondContact O-N 3.42Å; N59-N61 VanDerWaalsContact O-N 3.13Å; N59-N61 PolarHBondContact OD1-N 3.15Å; N59-A64 WeakPolarHBondContact ND2-CB 3.5Å; N59-Y137 HydrophobicContact CB-CD1 3.9Å; N59-F138 PolarHBondContact ND2-O 3.38Å | ||
| 60 | R | 74.6 | Confident | 83.1 | Confident | 248 Ų | 248 | 76.3 Ų | 76.3 | 94% | 0.936 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -60.1 | -24 | 179 | -60.6 | -177.7 | -172.9 | -170.3 | 1.9 | 113 | ||
| 61 | N | 88.2 | Confident | 83.1 | Confident | 61 Ų | 61 | 71.5 Ų | 71.5 | 33% | 0.326 | 33% | 0.328 | S | S | . | . | trans | -88.7 | 109.8 | 179.8 | -169.5 | -5 | 0 | 0 | 0 | 112 | N59 K63 A64 | N59-N61 PolarHBondContact O-N 3.42Å; N59-N61 VanDerWaalsContact O-N 3.13Å; N59-N61 PolarHBondContact OD1-N 3.15Å; N61-K63 PolarHBondContact O-N 2.94Å; N61-K63 WeakPolarHBondContact OD1-CB 3.43Å; N61-K63 PolarHBondContact OD1-N 3.42Å; N61-A64 HydrophobicContact CB-CB 4.24Å; N61-A64 PolarHBondContact O-N 2.94Å; N61-A64 VanDerWaalsContact O-N 3.17Å | ||
| 62 | A | 90.4 | Very high | 83.2 | Confident | 13 Ų | 13 | 69.6 Ų | 69.6 | 11% | 0.107 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -57.1 | -32.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | H56 A64 T65 Y186 T190 | H56-A62 VanDerWaalsContact NE2-CA 3.27Å; H56-A62 WeakPolarHBondContact NE2-CA 3.36Å; H56-A62 WeakPolarHBondContact NE2-CB 3.31Å; A62-A64 VanDerWaalsContact C-N 3.32Å; A62-T65 WeakPolarHBondContact O-CB 3.46Å; A62-T65 PolarHBondContact O-N 3.03Å; A62-Y186 HydrophobicContact CB-CD1 4.19Å; A62-T190 HydrophobicContact CB-CG2 3.84Å; A62-T190 WeakPolarHBondContact O-CG2 3.16Å |
| 63 | K | 92.3 | Very high | 83.4 | Confident | 117 Ų | 117 | 68.9 Ų | 68.9 | 51% | 0.509 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -76.2 | -20.8 | -177.7 | -58.6 | -176.1 | 177.2 | 179.9 | 0 | 113.6 | N61 T65 E141 T190 | N61-K63 PolarHBondContact O-N 2.94Å; N61-K63 WeakPolarHBondContact OD1-CB 3.43Å; N61-K63 PolarHBondContact OD1-N 3.42Å; K63-T65 PolarHBondContact O-N 3.4Å; K63-E141 HydrophobicContact CB-CB 4.31Å; K63-E141 HydrophobicContact CB-CG 3.77Å; K63-E141 HydrophobicContact CD-CG 4.24Å; K63-E141 WeakPolarHBondContact CD-OE1 3.46Å; K63-E141 VanDerWaalsContact CD-OE2 3.26Å; K63-E141 WeakPolarHBondContact CD-OE2 3.44Å; K63-E141 IonicContact NZ-OE1 3.77Å; K63-E141 PolarHBondContact NZ-OE1 2.65Å; K63-E141 IonicContact NZ-OE2 3.59Å; K63-T190 HydrophobicContact CB-CG2 4.29Å; K63-T190 HydrophobicContact CG-CG2 3.78Å |
| 64 | A | 93.4 | Very high | 83.8 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -84.7 | 15.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | N59 N61 A62 F138 | N59-A64 WeakPolarHBondContact ND2-CB 3.5Å; N61-A64 HydrophobicContact CB-CB 4.24Å; N61-A64 PolarHBondContact O-N 2.94Å; N61-A64 VanDerWaalsContact O-N 3.17Å; A62-A64 VanDerWaalsContact C-N 3.32Å; A64-F138 PolarHBondContact O-N 2.82Å |
| 65 | T | 94.1 | Very high | 84.5 | Confident | 2 Ų | 2 | 64.9 Ų | 64.9 | 1% | 0.012 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 128.3 | 179.6 | -52.6 | 0 | 0 | 0 | 0 | 110.5 | A62 K63 F135 A136 Y137 Y186 | A62-T65 WeakPolarHBondContact O-CB 3.46Å; A62-T65 PolarHBondContact O-N 3.03Å; K63-T65 PolarHBondContact O-N 3.4Å; T65-F135 HydrophobicContact CG2-CB 4.2Å; T65-F135 HydrophobicContact CG2-CD1 4.32Å; T65-A136 CarbonylContact C-O 3.6Å; T65-A136 WeakPolarHBondContact CA-O 3.49Å; T65-Y137 HydrophobicContact CG2-CD1 3.97Å; T65-Y137 HydrophobicContact CG2-CE1 3.86Å; T65-Y137 WeakPolarHBondContact OG1-CD1 3.26Å; T65-Y186 HydrophobicContact CG2-CG 4.18Å; T65-Y186 VanDerWaalsContact O-CB 3.24Å; T65-Y186 WeakPolarHBondContact O-CB 3.26Å; T65-Y186 PolarHBondContact O-N 3.32Å; T65-Y186 VanDerWaalsContact O-N 3.09Å |
| 66 | I | 95.2 | Very high | 86 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 134.7 | 174.2 | -62.9 | -177.6 | 0 | 0 | 0 | 109 | F135 A136 F138 A144 V147 L148 L183 E184 | I66-F135 WeakPolarHBondContact O-CA 3.38Å; I66-A136 HydrophobicContact CB-CB 4.41Å; I66-A136 PolarHBondContact N-O 3.15Å; I66-A136 PolarHBondContact O-N 3.09Å; I66-F138 HydrophobicContact CB-CE2 4.19Å; I66-F138 HydrophobicContact CD1-CD2 4.12Å; I66-F138 HydrophobicContact CD1-CE2 3.42Å; I66-F138 VanDerWaalsContact CD1-CE2 3.42Å; I66-F138 HydrophobicContact CD1-CZ 3.95Å; I66-F138 HydrophobicContact CG1-CD2 4.18Å; I66-F138 HydrophobicContact CG1-CE2 3.78Å; I66-A144 HydrophobicContact CD1-CB 4.22Å; I66-A144 WeakPolarHBondContact CD1-O 3.27Å; I66-A144 HydrophobicContact CG1-CB 4.05Å; I66-V147 HydrophobicContact CD1-CB 3.82Å; I66-V147 HydrophobicContact CD1-CG1 3.66Å; I66-L148 HydrophobicContact CD1-CD1 4.49Å; I66-L148 HydrophobicContact CD1-CD2 4.17Å; I66-L148 HydrophobicContact CD1-CG 3.84Å; I66-L148 HydrophobicContact CG1-CD1 4.35Å; I66-L148 HydrophobicContact CG1-CD2 4.34Å; I66-L148 HydrophobicContact CG1-CG 4.16Å; I66-L148 HydrophobicContact CG2-CD2 4.17Å; I66-L183 HydrophobicContact CG2-CB 4.24Å; I66-L183 HydrophobicContact CG2-CD2 4.34Å; I66-E184 WeakPolarHBondContact CG2-O 3.47Å |
| 67 | F | 95.1 | Very high | 87.4 | Confident | 57 Ų | 57 | 63.1 Ų | 63.1 | 25% | 0.25 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 126.6 | 167.3 | 173.2 | -102.9 | 0 | 0 | 0 | 109.9 | Y133 F135 I182 L183 E184 | F67-Y133 HydrophobicContact CD2-CD2 4.43Å; F67-Y133 AromaticContact CE2-CD2 3.67Å; F67-Y133 HydrophobicContact CE2-CD2 3.67Å; F67-Y133 HydrophobicContact CE2-CG 4Å; F67-Y133 HydrophobicContact CZ-CG 4.49Å; F67-F135 HydrophobicContact CB-CE1 4.44Å; F67-F135 HydrophobicContact CD2-CD1 4.25Å; F67-F135 AromaticContact CD2-CE1 3.66Å; F67-F135 HydrophobicContact CD2-CE1 3.66Å; F67-F135 HydrophobicContact CD2-CZ 4.18Å; F67-F135 HydrophobicContact CE2-CE1 4.5Å; F67-I182 HydrophobicContact CE1-CD1 4.17Å; F67-I182 HydrophobicContact CE1-CG1 4.5Å; F67-L183 WeakPolarHBondContact O-CA 3.42Å; F67-E184 HydrophobicContact CD1-CB 4.32Å; F67-E184 PolarHBondContact N-O 3.43Å; F67-E184 PolarHBondContact O-N 3.05Å |
| 68 | V | 95.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 110.6 | 173.2 | -172.5 | 0 | 0 | 0 | 0 | 107.7 | L71 L80 L84 Y133 A134 A136 V181 I182 L183 | V68-L71 HydrophobicContact CG1-CD1 4.11Å; V68-L80 HydrophobicContact CG1-CD1 4.14Å; V68-L80 HydrophobicContact CG1-CD2 4.38Å; V68-L84 HydrophobicContact CG2-CD1 4.37Å; V68-Y133 CarbonylContact O-C 3.55Å; V68-Y133 WeakPolarHBondContact O-CA 3Å; V68-Y133 VanDerWaalsContact O-CB 3.26Å; V68-Y133 WeakPolarHBondContact O-CB 3.43Å; V68-A134 HydrophobicContact CB-CB 4.21Å; V68-A134 PolarHBondContact N-O 3.22Å; V68-A134 PolarHBondContact O-N 3.09Å; V68-A136 HydrophobicContact CG2-CB 4.34Å; V68-V181 HydrophobicContact CG1-CG1 3.74Å; V68-I182 CarbonylContact C-O 3.52Å; V68-I182 WeakPolarHBondContact CA-O 3.36Å; V68-L183 HydrophobicContact CB-CD2 4.1Å; V68-L183 HydrophobicContact CG1-CD2 3.85Å; V68-L183 HydrophobicContact CG2-CD2 3.69Å |
| 69 | G | 94 | Very high | 90.2 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 166.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L71 V181 I182 | G69-L71 PolarHBondContact O-N 3.36Å; G69-V181 WeakPolarHBondContact O-CA 3.21Å; G69-I182 VanDerWaalsContact CA-CG1 3.47Å; G69-I182 PolarHBondContact N-O 3.43Å; G69-I182 WeakPolarHBondContact O-CG1 3.31Å; G69-I182 PolarHBondContact O-N 3.46Å |
| 70 | R | 92.6 | Very high | 91.4 | Very high | 119 Ų | 119 | 56.8 Ų | 56.8 | 45% | 0.449 | 26% | 0.259 | S | S | . | . | S | Bend | trans | 54.9 | 35.9 | 180 | -60.1 | 178.6 | 176.7 | -177.5 | -1.7 | 112.4 | G132 K180 I182 | R70-G132 PolarHBondContact N-O 3.39Å; R70-G132 VanDerWaalsContact N-O 3.14Å; R70-K180 WeakPolarHBondContact CB-O 3.31Å; R70-K180 WeakPolarHBondContact CD-O 3.03Å; R70-I182 HydrophobicContact CG-CD1 4.41Å; R70-I182 HydrophobicContact CG-CG1 4.39Å |
| 71 | L | 93.7 | Very high | 92.2 | Very high | 7 Ų | 7 | 45.1 Ų | 45.1 | 4% | 0.037 | 22% | 0.215 | C | C | . | . | trans | -71 | 133.2 | 177.7 | -166 | 69.7 | 0 | 0 | 0 | 109.6 | V68 G69 T75 L80 I121 G132 A134 I175 V181 | V68-L71 HydrophobicContact CG1-CD1 4.11Å; G69-L71 PolarHBondContact O-N 3.36Å; L71-T75 HydrophobicContact CD1-CG2 3.93Å; L71-T75 HydrophobicContact CD2-CG2 4.42Å; L71-T75 HydrophobicContact CG-CG2 4.28Å; L71-L80 HydrophobicContact CD1-CD1 4.29Å; L71-L80 HydrophobicContact CD1-CD2 4.15Å; L71-L80 HydrophobicContact CD2-CD2 4Å; L71-I121 HydrophobicContact CD2-CD1 4.42Å; L71-I121 HydrophobicContact CD2-CG1 4.36Å; L71-G132 PolarHBondContact N-O 3.41Å; L71-G132 VanDerWaalsContact O-CA 3.31Å; L71-G132 WeakPolarHBondContact O-CA 3.29Å; L71-A134 HydrophobicContact CD2-CB 4.22Å; L71-I175 HydrophobicContact CD1-CD1 3.74Å; L71-V181 HydrophobicContact CD1-CG2 4.37Å | ||
| 72 | P | 92.7 | Very high | 92.3 | Very high | 20 Ų | 20 | 46.7 Ų | 46.7 | 13% | 0.13 | 22% | 0.219 | C | C | . | . | trans | -57.9 | 142.1 | 169.7 | -23.2 | 33.9 | 0 | 0 | 0 | 111.6 | H74 T75 P176 N177 | P72-H74 PolarHBondContact O-N 3.05Å; P72-T75 WeakPolarHBondContact CB-OG1 3.43Å; P72-T75 WeakPolarHBondContact CD-OG1 3.37Å; P72-T75 WeakPolarHBondContact O-CB 3.44Å; P72-T75 PolarHBondContact O-N 2.97Å; P72-T75 VanDerWaalsContact O-N 3.17Å; P72-T75 PolarHBondContact O-OG1 3.36Å; P72-T75 VanDerWaalsContact O-OG1 3.12Å; P72-P176 WeakPolarHBondContact CG-O 3.18Å; P72-N177 HydrophobicContact CB-CB 4.29Å; P72-N177 HydrophobicContact CG-CB 3.84Å; P72-N177 VanDerWaalsContact CG-O 3.28Å; P72-N177 WeakPolarHBondContact CG-O 3.48Å | ||
| 73 | Y | 92.8 | Very high | 92.3 | Very high | 170 Ų | 170 | 46.3 Ų | 46.3 | 67% | 0.667 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -20.5 | -176 | -58.5 | -53.4 | 0 | 0 | 0 | 113.9 | P130 | Y73-P130 HydrophobicContact CD1-CG 4.27Å; Y73-P130 VanDerWaalsContact CD1-O 3.23Å; Y73-P130 WeakPolarHBondContact CD1-O 3.43Å; Y73-P130 WeakPolarHBondContact CE1-O 3.36Å; Y73-P130 WeakPolarHBondContact O-CG 3.45Å |
| 74 | H | 91 | Very high | 92.3 | Very high | 116 Ų | 116 | 40.7 Ų | 40.7 | 54% | 0.537 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 1 | 178.5 | 62.2 | -93 | 0 | 0 | 0 | 113.2 | P72 S76 | P72-H74 PolarHBondContact O-N 3.05Å; H74-S76 PolarHBondContact O-N 3.39Å |
| 75 | T | 90.3 | Very high | 92.2 | Very high | 14 Ų | 14 | 42.7 Ų | 42.7 | 9% | 0.086 | 20% | 0.201 | C | C | . | . | trans | -69.2 | 123.8 | -177.4 | -56.4 | 0 | 0 | 0 | 0 | 111.2 | L71 P72 L80 I175 | L71-T75 HydrophobicContact CD1-CG2 3.93Å; L71-T75 HydrophobicContact CD2-CG2 4.42Å; L71-T75 HydrophobicContact CG-CG2 4.28Å; P72-T75 WeakPolarHBondContact CB-OG1 3.43Å; P72-T75 WeakPolarHBondContact CD-OG1 3.37Å; P72-T75 WeakPolarHBondContact O-CB 3.44Å; P72-T75 PolarHBondContact O-N 2.97Å; P72-T75 VanDerWaalsContact O-N 3.17Å; P72-T75 PolarHBondContact O-OG1 3.36Å; P72-T75 VanDerWaalsContact O-OG1 3.12Å; T75-L80 HydrophobicContact CG2-CB 4.18Å; T75-I175 HydrophobicContact CG2-CD1 3.85Å | ||
| 76 | S | 90.7 | Very high | 91.9 | Very high | 63 Ų | 63 | 47.8 Ų | 47.8 | 44% | 0.441 | 22% | 0.224 | S | C | . | . | trans | -80.3 | 150.1 | 175 | 71.1 | 0 | 0 | 0 | 0 | 112 | H74 I78 C79 L80 | H74-S76 PolarHBondContact O-N 3.39Å; S76-I78 PolarHBondContact O-N 3.36Å; S76-C79 PolarHBondContact O-N 2.97Å; S76-C79 VanDerWaalsContact O-N 3.15Å; S76-C79 VanDerWaalsContact OG-CB 3.27Å; S76-C79 WeakPolarHBondContact OG-CB 3.29Å; S76-C79 PolarHBondContact OG-N 3.45Å; S76-L80 PolarHBondContact O-N 3.27Å; S76-L80 VanDerWaalsContact O-N 3.1Å | ||
| 77 | K | 91.1 | Very high | 91.6 | Very high | 79 Ų | 79 | 48.4 Ų | 48.4 | 34% | 0.343 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -50.6 | -43.4 | 174 | -175.6 | -169.5 | 168.8 | -167.8 | 0 | 111.5 | L80 Q81 D113 I119 I121 | K77-L80 PolarHBondContact O-N 3.31Å; K77-Q81 VanDerWaalsContact O-CB 3.29Å; K77-Q81 WeakPolarHBondContact O-CB 3.29Å; K77-Q81 PolarHBondContact O-N 3.45Å; K77-D113 IonicContact NZ-OD1 3.23Å; K77-D113 PolarHBondContact NZ-OD1 3.44Å; K77-I119 WeakPolarHBondContact CE-O 2.96Å; K77-I119 HydrophobicContact CG-CB 3.85Å; K77-I119 HydrophobicContact CG-CG2 4.15Å; K77-I121 HydrophobicContact CB-CD1 4.38Å |
| 78 | I | 89.8 | Confident | 91.3 | Very high | 72 Ų | 72 | 46.9 Ų | 46.9 | 37% | 0.369 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.3 | -43.4 | -178.1 | -60.4 | 171 | 0 | 0 | 0 | 111.2 | S76 Q81 K82 | S76-I78 PolarHBondContact O-N 3.36Å; I78-Q81 PolarHBondContact O-N 3.03Å; I78-K82 HydrophobicContact CG2-CD 4.3Å; I78-K82 WeakPolarHBondContact O-CG 3.34Å; I78-K82 PolarHBondContact O-N 3.11Å |
| 79 | C | 90.5 | Very high | 90.9 | Very high | 34 Ų | 34 | 49 Ų | 49 | 23% | 0.23 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.2 | -46.3 | 178.5 | -179.1 | 0 | 0 | 0 | 0 | 110.8 | S76 Q81 K82 A83 I175 | S76-C79 PolarHBondContact O-N 2.97Å; S76-C79 VanDerWaalsContact O-N 3.15Å; S76-C79 VanDerWaalsContact OG-CB 3.27Å; S76-C79 WeakPolarHBondContact OG-CB 3.29Å; S76-C79 PolarHBondContact OG-N 3.45Å; C79-Q81 PolarHBondContact O-N 3.22Å; C79-K82 PolarHBondContact O-N 3.03Å; C79-A83 PolarHBondContact O-N 3.07Å; C79-I175 WeakPolarHBondContact SG-CG2 3.22Å |
| 80 | L | 91.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.3 | -39.1 | 177 | -176.5 | 54.6 | 0 | 0 | 0 | 112.6 | V68 L71 T75 S76 K77 L84 I119 A134 L173 | V68-L80 HydrophobicContact CG1-CD1 4.14Å; V68-L80 HydrophobicContact CG1-CD2 4.38Å; L71-L80 HydrophobicContact CD1-CD1 4.29Å; L71-L80 HydrophobicContact CD1-CD2 4.15Å; L71-L80 HydrophobicContact CD2-CD2 4Å; T75-L80 HydrophobicContact CG2-CB 4.18Å; S76-L80 PolarHBondContact O-N 3.27Å; S76-L80 VanDerWaalsContact O-N 3.1Å; K77-L80 PolarHBondContact O-N 3.31Å; L80-L84 HydrophobicContact CD1-CD1 3.95Å; L80-L84 HydrophobicContact CD1-CG 4.21Å; L80-L84 HydrophobicContact CG-CD1 4.08Å; L80-L84 WeakPolarHBondContact O-CB 3.39Å; L80-L84 WeakPolarHBondContact O-CG 3.33Å; L80-L84 PolarHBondContact O-N 2.73Å; L80-L84 VanDerWaalsContact O-N 3.09Å; L80-I119 HydrophobicContact CB-CG2 4.41Å; L80-I119 HydrophobicContact CD2-CG2 3.66Å; L80-I119 HydrophobicContact CG-CD1 4.44Å; L80-I119 HydrophobicContact CG-CG2 4.1Å; L80-A134 HydrophobicContact CD2-CB 3.78Å; L80-L173 HydrophobicContact CD1-CD2 3.45Å; L80-L173 VanDerWaalsContact CD1-CD2 3.45Å |
| 81 | Q | 91.9 | Very high | 89.2 | Confident | 3 Ų | 3 | 54.7 Ų | 54.7 | 1% | 0.014 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 176 | -177.4 | 177.4 | 13.4 | 0 | 0 | 111.9 | K77 I78 C79 H85 C112 I115 P117 I119 | K77-Q81 VanDerWaalsContact O-CB 3.29Å; K77-Q81 WeakPolarHBondContact O-CB 3.29Å; K77-Q81 PolarHBondContact O-N 3.45Å; I78-Q81 PolarHBondContact O-N 3.03Å; C79-Q81 PolarHBondContact O-N 3.22Å; Q81-H85 VanDerWaalsContact O-CB 3.24Å; Q81-H85 WeakPolarHBondContact O-CB 3.47Å; Q81-H85 PolarHBondContact O-N 3.26Å; Q81-C112 PolarHBondContact NE2-O 2.9Å; Q81-I115 PolarHBondContact NE2-O 3.24Å; Q81-P117 WeakPolarHBondContact CG-O 3.39Å; Q81-I119 HydrophobicContact CB-CG1 3.83Å; Q81-I119 HydrophobicContact CG-CG1 4.44Å |
| 82 | K | 89.7 | Confident | 88.1 | Confident | 94 Ų | 94 | 58.5 Ų | 58.5 | 41% | 0.409 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.3 | -51.1 | 176.6 | -75.6 | 178.2 | 177.9 | -174.2 | 0 | 111.6 | I78 C79 L84 H85 E86 Y103 | I78-K82 HydrophobicContact CG2-CD 4.3Å; I78-K82 WeakPolarHBondContact O-CG 3.34Å; I78-K82 PolarHBondContact O-N 3.11Å; C79-K82 PolarHBondContact O-N 3.03Å; K82-L84 VanDerWaalsContact C-N 3.34Å; K82-L84 PolarHBondContact O-N 3.12Å; K82-H85 WeakPolarHBondContact O-CB 3.35Å; K82-H85 PolarHBondContact O-N 3.19Å; K82-H85 VanDerWaalsContact O-N 3.15Å; K82-E86 WeakPolarHBondContact O-CG 3.4Å; K82-E86 PolarHBondContact O-N 3.18Å; K82-Y103 HydrophobicContact CG-CE1 4.25Å; K82-Y103 VanDerWaalsContact CG-OH 3.3Å; K82-Y103 WeakPolarHBondContact CG-OH 3.39Å |
| 83 | A | 90.8 | Very high | 86.4 | Confident | 4 Ų | 4 | 60 Ų | 60 | 3% | 0.033 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.1 | -41 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | C79 E86 L87 L173 I175 | C79-A83 PolarHBondContact O-N 3.07Å; A83-E86 PolarHBondContact O-N 2.94Å; A83-L87 WeakPolarHBondContact O-CG 3.43Å; A83-L87 PolarHBondContact O-N 2.99Å; A83-L173 HydrophobicContact CB-CD1 3.83Å; A83-L173 HydrophobicContact CB-CD2 4.02Å; A83-L173 HydrophobicContact CB-CG 3.77Å; A83-I175 HydrophobicContact CB-CG2 3.69Å |
| 84 | L | 92.4 | Very high | 84.6 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -71.6 | -34.2 | 176.4 | -70.9 | 170.1 | 0 | 0 | 0 | 112.8 | V68 L80 K82 L87 L88 P117 I119 A136 F138 V147 L183 | V68-L84 HydrophobicContact CG2-CD1 4.37Å; L80-L84 HydrophobicContact CD1-CD1 3.95Å; L80-L84 HydrophobicContact CD1-CG 4.21Å; L80-L84 HydrophobicContact CG-CD1 4.08Å; L80-L84 WeakPolarHBondContact O-CB 3.39Å; L80-L84 WeakPolarHBondContact O-CG 3.33Å; L80-L84 PolarHBondContact O-N 2.73Å; L80-L84 VanDerWaalsContact O-N 3.09Å; K82-L84 VanDerWaalsContact C-N 3.34Å; K82-L84 PolarHBondContact O-N 3.12Å; L84-L87 HydrophobicContact CD2-CD1 4.27Å; L84-L87 PolarHBondContact O-N 3.06Å; L84-L88 WeakPolarHBondContact O-CB 3.43Å; L84-L88 PolarHBondContact O-N 3.17Å; L84-P117 HydrophobicContact CB-CG 3.73Å; L84-P117 HydrophobicContact CD1-CG 4.47Å; L84-I119 HydrophobicContact CD1-CD1 3.55Å; L84-A136 HydrophobicContact CD1-CB 3.52Å; L84-F138 HydrophobicContact CB-CZ 4.48Å; L84-V147 HydrophobicContact CD2-CG1 4.12Å; L84-L183 HydrophobicContact CD2-CD1 3.86Å; L84-L183 HydrophobicContact CD2-CD2 4.1Å |
| 85 | H | 90.9 | Very high | 82.8 | Confident | 42 Ų | 42 | 60.1 Ų | 60.1 | 19% | 0.194 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.9 | -38.5 | 173.7 | 178.8 | -93.4 | 0 | 0 | 0 | 111.8 | Q81 K82 L88 N89 W116 | Q81-H85 VanDerWaalsContact O-CB 3.24Å; Q81-H85 WeakPolarHBondContact O-CB 3.47Å; Q81-H85 PolarHBondContact O-N 3.26Å; K82-H85 WeakPolarHBondContact O-CB 3.35Å; K82-H85 PolarHBondContact O-N 3.19Å; K82-H85 VanDerWaalsContact O-N 3.15Å; H85-L88 PolarHBondContact O-N 3.36Å; H85-N89 PolarHBondContact CE1-ND2 3.09Å; H85-N89 PolarHBondContact ND1-ND2 2.82Å; H85-N89 PolarHBondContact NE2-ND2 3.48Å; H85-N89 VanDerWaalsContact NE2-ND2 3.17Å; H85-N89 PolarHBondContact O-N 3.1Å; H85-N89 VanDerWaalsContact O-N 3.16Å; H85-N89 PolarHBondContact O-ND2 2.9Å; H85-W116 PolarHBondContact CD2-O 3.03Å |
| 86 | E | 87.7 | Confident | 81.1 | Confident | 108 Ų | 108 | 62.6 Ų | 62.6 | 51% | 0.505 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65 | -43.6 | 173.2 | -73.6 | 169.4 | -174.3 | 0 | 0 | 111.6 | K82 A83 L88 N89 K90 | K82-E86 WeakPolarHBondContact O-CG 3.4Å; K82-E86 PolarHBondContact O-N 3.18Å; A83-E86 PolarHBondContact O-N 2.94Å; E86-L88 VanDerWaalsContact C-N 3.32Å; E86-L88 PolarHBondContact O-N 2.88Å; E86-N89 PolarHBondContact O-N 3.08Å; E86-K90 PolarHBondContact O-N 2.87Å |
| 87 | L | 88.4 | Confident | 79.1 | Confident | 13 Ų | 13 | 65.3 Ų | 65.3 | 7% | 0.068 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.7 | -40.5 | 173.8 | -74.6 | 179.5 | 0 | 0 | 0 | 112.8 | A83 L84 N89 K90 V147 W151 L173 L183 | A83-L87 WeakPolarHBondContact O-CG 3.43Å; A83-L87 PolarHBondContact O-N 2.99Å; L84-L87 HydrophobicContact CD2-CD1 4.27Å; L84-L87 PolarHBondContact O-N 3.06Å; L87-N89 VanDerWaalsContact C-N 3.3Å; L87-N89 PolarHBondContact O-N 3.2Å; L87-K90 WeakPolarHBondContact O-CB 3.46Å; L87-K90 PolarHBondContact O-N 2.91Å; L87-V147 HydrophobicContact CB-CG1 4.28Å; L87-V147 HydrophobicContact CD1-CG1 4.42Å; L87-W151 HydrophobicContact CD1-CE3 4.25Å; L87-L173 HydrophobicContact CD1-CD1 3.33Å; L87-L173 HydrophobicContact CG-CD1 4.15Å; L87-L183 HydrophobicContact CD1-CD1 3.79Å |
| 88 | L | 89.3 | Confident | 77.1 | Confident | 25 Ų | 25 | 70.7 Ų | 70.7 | 13% | 0.131 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 177.2 | 177.5 | 61.5 | 0 | 0 | 0 | 111.5 | L84 H85 E86 F138 D143 R146 V147 | L84-L88 WeakPolarHBondContact O-CB 3.43Å; L84-L88 PolarHBondContact O-N 3.17Å; H85-L88 PolarHBondContact O-N 3.36Å; E86-L88 VanDerWaalsContact C-N 3.32Å; E86-L88 PolarHBondContact O-N 2.88Å; L88-F138 HydrophobicContact CD2-CD1 4.36Å; L88-F138 HydrophobicContact CD2-CE1 4.34Å; L88-D143 HydrophobicContact CD1-CB 3.67Å; L88-D143 WeakPolarHBondContact CD1-O 3.44Å; L88-D143 HydrophobicContact CD2-CB 4.45Å; L88-R146 HydrophobicContact CD1-CB 4.3Å; L88-V147 HydrophobicContact CB-CG2 3.67Å; L88-V147 HydrophobicContact CD1-CG2 3.93Å; L88-V147 HydrophobicContact CG-CG2 4.39Å |
| 89 | N | 86.2 | Confident | 75.3 | Confident | 46 Ų | 46 | 75.2 Ų | 75.2 | 25% | 0.246 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -89.9 | -1.7 | -176.2 | -67.7 | -57.2 | 0 | 0 | 0 | 114.4 | H85 E86 L87 H91 L92 | H85-N89 PolarHBondContact CE1-ND2 3.09Å; H85-N89 PolarHBondContact ND1-ND2 2.82Å; H85-N89 PolarHBondContact NE2-ND2 3.48Å; H85-N89 VanDerWaalsContact NE2-ND2 3.17Å; H85-N89 PolarHBondContact O-N 3.1Å; H85-N89 VanDerWaalsContact O-N 3.16Å; H85-N89 PolarHBondContact O-ND2 2.9Å; E86-N89 PolarHBondContact O-N 3.08Å; L87-N89 VanDerWaalsContact C-N 3.3Å; L87-N89 PolarHBondContact O-N 3.2Å; N89-H91 PolarHBondContact O-N 2.85Å; N89-L92 PolarHBondContact O-N 3.02Å |
| 90 | K | 81 | Confident | 73.4 | Confident | 120 Ų | 120 | 76.6 Ų | 76.6 | 52% | 0.522 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -32.5 | -173.9 | -167.5 | 172.3 | -170.8 | 174.5 | 0 | 114.3 | E86 L87 Q154 | E86-K90 PolarHBondContact O-N 2.87Å; L87-K90 WeakPolarHBondContact O-CB 3.46Å; L87-K90 PolarHBondContact O-N 2.91Å; K90-Q154 VanDerWaalsContact CD-NE2 3.33Å; K90-Q154 VanDerWaalsContact NZ-CG 3.3Å |
| 91 | H | 71.5 | Confident | 71.3 | Confident | 118 Ų | 118 | 86.2 Ų | 86.2 | 55% | 0.546 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -14.8 | 179.6 | -69.7 | -73.2 | 0 | 0 | 0 | 114.3 | N89 G93 | N89-H91 PolarHBondContact O-N 2.85Å; H91-G93 PolarHBondContact O-N 3.48Å; H91-G93 VanDerWaalsContact O-N 3.07Å |
| 92 | L | 69.6 | Low | 69.3 | Low | 87 Ų | 87 | 95.4 Ų | 95.4 | 46% | 0.455 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -85.9 | 39.3 | -177.7 | -71.4 | 157.9 | 0 | 0 | 0 | 111.6 | N89 L96 | N89-L92 PolarHBondContact O-N 3.02Å; L92-L96 HydrophobicContact CB-CD1 3.68Å; L92-L96 HydrophobicContact CB-CG 4.4Å; L92-L96 HydrophobicContact CD1-CD1 3.87Å; L92-L96 HydrophobicContact CG-CD1 4.3Å |
| 93 | G | 58.2 | Low | 67.4 | Low | 51 Ų | 51 | 94.5 Ų | 94.5 | 53% | 0.526 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -39.4 | 138.2 | -167.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | H91 D95 | H91-G93 PolarHBondContact O-N 3.48Å; H91-G93 VanDerWaalsContact O-N 3.07Å; G93-D95 PolarHBondContact O-N 3.09Å |
| 94 | N | 53.5 | Low | 65.4 | Low | 145 Ų | 145 | 97 Ų | 97 | 78% | 0.775 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | -25.3 | 170.1 | -67.8 | -13.9 | 0 | 0 | 0 | 120.5 | L96 | N94-L96 PolarHBondContact O-N 2.92Š|
| 95 | D | 54.8 | Low | 63.3 | Low | 144 Ų | 144 | 107.9 Ų | 107.9 | 77% | 0.77 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -77 | -23.1 | -178.1 | -89.8 | -32.1 | 0 | 0 | 0 | 113.4 | G93 | G93-D95 PolarHBondContact O-N 3.09Š|
| 96 | L | 53.8 | Low | 61.4 | Low | 66 Ų | 66 | 108.5 Ų | 108.5 | 35% | 0.346 | 53% | 0.527 | S | S | . | . | G | 310 helix | trans | -81.7 | -11.5 | 176.9 | -72.1 | 179.7 | 0 | 0 | 0 | 114.6 | L92 N94 K98 K99 S100 | L92-L96 HydrophobicContact CB-CD1 3.68Å; L92-L96 HydrophobicContact CB-CG 4.4Å; L92-L96 HydrophobicContact CD1-CD1 3.87Å; L92-L96 HydrophobicContact CG-CD1 4.3Å; N94-L96 PolarHBondContact O-N 2.92Å; L96-K98 PolarHBondContact O-N 2.85Å; L96-K99 PolarHBondContact O-N 3.41Å; L96-S100 PolarHBondContact O-N 3.39Å |
| 97 | N | 49.4 | Very low | 59.9 | Low | 120 Ų | 120 | 115.4 Ų | 115.4 | 64% | 0.642 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -62.6 | -14.8 | 174.7 | -91.3 | -20.6 | 0 | 0 | 0 | 112.7 | ||
| 98 | K | 48.9 | Very low | 58.4 | Low | 192 Ų | 192 | 117.3 Ų | 117.3 | 84% | 0.835 | 56% | 0.563 | S | S | * | * | G | 310 helix | trans | -84.8 | -22.1 | 169.6 | -81.4 | 178.7 | 177.7 | 172.6 | 0 | 114.8 | L96 | L96-K98 PolarHBondContact O-N 2.85Š|
| 99 | K | 50.7 | Low | 56.8 | Low | 168 Ų | 168 | 121.1 Ų | 121.1 | 73% | 0.73 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | -15.3 | -178.2 | -73.1 | -176.1 | 179.2 | 175 | 0 | 114.5 | L96 R101 | L96-K99 PolarHBondContact O-N 3.41Å; K99-R101 VanDerWaalsContact C-N 3.28Å; K99-R101 PolarHBondContact O-N 2.78Å |
| 100 | S | 50.4 | Low | 55.1 | Low | 63 Ų | 63 | 127.3 Ų | 127.3 | 44% | 0.441 | 61% | 0.614 | S | S | . | * | G | 310 helix | trans | -74.7 | -3.2 | -174.9 | -162 | 0 | 0 | 0 | 0 | 115.8 | L96 K102 Y103 | L96-S100 PolarHBondContact O-N 3.39Å; S100-K102 PolarHBondContact O-N 2.94Å; S100-Y103 PolarHBondContact O-N 2.74Å |
| 101 | R | 47.9 | Very low | 53.9 | Low | 201 Ų | 201 | 123.5 Ų | 123.5 | 76% | 0.758 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -69.9 | 1.9 | 173.4 | -67 | -171.3 | -168.5 | 131.5 | -0.7 | 114.4 | K99 Y103 | K99-R101 VanDerWaalsContact C-N 3.28Å; K99-R101 PolarHBondContact O-N 2.78Å; R101-Y103 VanDerWaalsContact C-N 3.28Å |
| 102 | K | 50.2 | Low | 53 | Low | 197 Ų | 197 | 119.5 Ų | 119.5 | 86% | 0.857 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -85.5 | 10.6 | 171.9 | -85.9 | -170.3 | 177.2 | -177.3 | 0 | 114 | S100 C104 | S100-K102 PolarHBondContact O-N 2.94Å; K102-C104 PolarHBondContact O-N 3.3Å |
| 103 | Y | 49.7 | Very low | 52.5 | Low | 75 Ų | 75 | 119.8 Ų | 119.8 | 29% | 0.294 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -70.3 | 94.2 | 166.6 | -140.7 | -84.4 | 0 | 0 | 0 | 109.4 | K82 S100 R101 I115 | K82-Y103 HydrophobicContact CG-CE1 4.25Å; K82-Y103 VanDerWaalsContact CG-OH 3.3Å; K82-Y103 WeakPolarHBondContact CG-OH 3.39Å; S100-Y103 PolarHBondContact O-N 2.74Å; R101-Y103 VanDerWaalsContact C-N 3.28Å; Y103-I115 HydrophobicContact CD1-CD1 4.39Å; Y103-I115 HydrophobicContact CD2-CD1 3.81Å; Y103-I115 HydrophobicContact CE1-CD1 4.25Å; Y103-I115 HydrophobicContact CE2-CD1 3.66Å; Y103-I115 HydrophobicContact CE2-CG2 4.23Å; Y103-I115 HydrophobicContact CG-CD1 4.18Å |
| 104 | C | 49.9 | Very low | 52.9 | Low | 56 Ų | 56 | 126 Ų | 126 | 38% | 0.378 | 61% | 0.605 | S | S | . | * | trans | 34.5 | 89.2 | 165.7 | -116.7 | 0 | 0 | 0 | 0 | 116.4 | K102 S106 S111 | K102-C104 PolarHBondContact O-N 3.3Å; C104-S106 PolarHBondContact O-N 2.99Å; C104-S111 PolarHBondContact SG-OG 3.35Å; C104-S111 VanDerWaalsContact SG-OG 3.4Å | ||
| 105 | R | 47.2 | Very low | 54.1 | Low | 228 Ų | 228 | 120.9 Ų | 120.9 | 86% | 0.86 | 58% | 0.578 | S | S | * | * | trans | -76.4 | -1.5 | 158.4 | -94.6 | -173.1 | 166.7 | 117.6 | -5.5 | 113.2 | R107 | R105-R107 PolarHBondContact O-N 3.35Š| ||
| 106 | S | 50.6 | Low | 55.5 | Low | 56 Ų | 56 | 117.9 Ų | 117.9 | 39% | 0.392 | 56% | 0.556 | S | S | . | * | trans | -65.8 | 122 | 174.9 | 167.2 | 0 | 0 | 0 | 0 | 109.6 | C104 S108 S111 | C104-S106 PolarHBondContact O-N 2.99Å; S106-S108 PolarHBondContact O-N 3.37Å; S106-S108 VanDerWaalsContact OG-CB 3.26Å; S106-S108 WeakPolarHBondContact OG-CB 3.23Å; S106-S108 PolarHBondContact OG-N 3.23Å; S106-S111 WeakPolarHBondContact CB-OG 3.31Å; S106-S111 WeakPolarHBondContact OG-CB 3.24Å; S106-S111 PolarHBondContact OG-OG 2.71Å | ||
| 107 | R | 56.2 | Low | 57.3 | Low | 252 Ų | 252 | 114.8 Ų | 114.8 | 95% | 0.951 | 54% | 0.539 | S | S | * | . | trans | -71.3 | -3.4 | 167.5 | -74.1 | -179.9 | 169.2 | 175 | -3.7 | 112.2 | R105 P109 | R105-R107 PolarHBondContact O-N 3.35Å; R107-P109 WeakPolarHBondContact O-CD 3.32Å | ||
| 108 | S | 57.7 | Low | 59.2 | Low | 54 Ų | 54 | 112.9 Ų | 112.9 | 38% | 0.378 | 53% | 0.525 | S | S | . | . | trans | -78.7 | 119.2 | 177.5 | 179.3 | 0 | 0 | 0 | 0 | 110.4 | S106 F110 S111 | S106-S108 PolarHBondContact O-N 3.37Å; S106-S108 VanDerWaalsContact OG-CB 3.26Å; S106-S108 WeakPolarHBondContact OG-CB 3.23Å; S106-S108 PolarHBondContact OG-N 3.23Å; S108-F110 PolarHBondContact O-N 2.8Å; S108-F110 PolarHBondContact OG-N 2.95Å; S108-S111 PolarHBondContact O-N 3.18Å; S108-S111 PolarHBondContact O-OG 2.85Å | ||
| 109 | P | 55.2 | Low | 61.3 | Low | 104 Ų | 104 | 104.1 Ų | 104.1 | 68% | 0.675 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -17.5 | 172.1 | -16.7 | 28.8 | 0 | 0 | 0 | 112.9 | R107 | R107-P109 WeakPolarHBondContact O-CD 3.32Š|
| 110 | F | 51.4 | Low | 63.3 | Low | 176 Ų | 176 | 99.5 Ų | 99.5 | 77% | 0.772 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -0.5 | -172.3 | -59.1 | -78.6 | 0 | 0 | 0 | 114.6 | S108 | S108-F110 PolarHBondContact O-N 2.8Å; S108-F110 PolarHBondContact OG-N 2.95Å |
| 111 | S | 55.2 | Low | 65.3 | Low | 41 Ų | 41 | 97.5 Ų | 97.5 | 29% | 0.287 | 45% | 0.452 | S | S | . | . | trans | -98.1 | 12.6 | -171.6 | 60.6 | 0 | 0 | 0 | 0 | 116 | C104 S106 S108 D113 | C104-S111 PolarHBondContact SG-OG 3.35Å; C104-S111 VanDerWaalsContact SG-OG 3.4Å; S106-S111 WeakPolarHBondContact CB-OG 3.31Å; S106-S111 WeakPolarHBondContact OG-CB 3.24Å; S106-S111 PolarHBondContact OG-OG 2.71Å; S108-S111 PolarHBondContact O-N 3.18Å; S108-S111 PolarHBondContact O-OG 2.85Å; S111-D113 VanDerWaalsContact C-N 3.31Å; S111-D113 PolarHBondContact O-N 3.46Å | ||
| 112 | C | 53.4 | Low | 67.5 | Low | 34 Ų | 34 | 88.9 Ų | 88.9 | 23% | 0.23 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -82.1 | 1.5 | -173.8 | 61.9 | 0 | 0 | 0 | 0 | 115.6 | Q81 E114 | Q81-C112 PolarHBondContact NE2-O 2.9Å; C112-E114 PolarHBondContact O-N 3.23Å |
| 113 | D | 57.7 | Low | 69.6 | Low | 92 Ų | 92 | 84 Ų | 84 | 49% | 0.492 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -83.9 | -8 | -168 | -75.9 | -35.6 | 0 | 0 | 0 | 115.8 | K77 S111 | K77-D113 IonicContact NZ-OD1 3.23Å; K77-D113 PolarHBondContact NZ-OD1 3.44Å; S111-D113 VanDerWaalsContact C-N 3.31Å; S111-D113 PolarHBondContact O-N 3.46Å |
| 114 | E | 66.4 | Low | 71.6 | Confident | 181 Ų | 181 | 83.6 Ų | 83.6 | 85% | 0.846 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -88.1 | -11.7 | -176.3 | -68.9 | -174 | 178.4 | 0 | 0 | 114.6 | C112 | C112-E114 PolarHBondContact O-N 3.23Š|
| 115 | I | 80 | Confident | 73.7 | Confident | 38 Ų | 38 | 89.1 Ų | 89.1 | 20% | 0.195 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -92.7 | 123.1 | -176.3 | -56.3 | 175.6 | 0 | 0 | 0 | 109.4 | Q81 Y103 | Q81-I115 PolarHBondContact NE2-O 3.24Å; Y103-I115 HydrophobicContact CD1-CD1 4.39Å; Y103-I115 HydrophobicContact CD2-CD1 3.81Å; Y103-I115 HydrophobicContact CE1-CD1 4.25Å; Y103-I115 HydrophobicContact CE2-CD1 3.66Å; Y103-I115 HydrophobicContact CE2-CG2 4.23Å; Y103-I115 HydrophobicContact CG-CD1 4.18Å |
| 116 | W | 84.4 | Confident | 75.9 | Confident | 82 Ų | 82 | 84.6 Ų | 84.6 | 31% | 0.311 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -75 | 142 | 170 | -72.4 | 91.3 | 0 | 0 | 0 | 110.3 | H85 K118 Y137 F138 | H85-W116 PolarHBondContact CD2-O 3.03Å; W116-K118 HydrophobicContact CD2-CG 4.37Å; W116-K118 HydrophobicContact CE3-CB 4.41Å; W116-K118 HydrophobicContact CE3-CG 4.02Å; W116-K118 HydrophobicContact CH2-CD 3.88Å; W116-K118 HydrophobicContact CH2-CG 4.24Å; W116-K118 HydrophobicContact CZ2-CD 4.17Å; W116-K118 HydrophobicContact CZ3-CB 4.22Å; W116-K118 HydrophobicContact CZ3-CD 4.07Å; W116-K118 HydrophobicContact CZ3-CG 3.95Å; W116-Y137 WeakPolarHBondContact CZ3-O 3.45Å; W116-F138 VanDerWaalsContact CE3-C 3.43Å; W116-F138 VanDerWaalsContact CZ3-C 3.41Å; W116-F138 WeakPolarHBondContact CZ3-O 3.45Å |
| 117 | P | 90.7 | Very high | 78.1 | Confident | 0 Ų | 0 | 85.6 Ų | 85.6 | 0% | 0 | 43% | 0.43 | C | S | . | . | S | Bend | cis | -83.2 | 148.5 | 8.9 | 30.5 | -32.9 | 0 | 0 | 0 | 115 | Q81 L84 I119 Y137 F138 | Q81-P117 WeakPolarHBondContact CG-O 3.39Å; L84-P117 HydrophobicContact CB-CG 3.73Å; L84-P117 HydrophobicContact CD1-CG 4.47Å; P117-I119 HydrophobicContact CB-CD1 4.24Å; P117-I119 HydrophobicContact CG-CD1 4.11Å; P117-Y137 CarbonylContact C-O 3.53Å; P117-Y137 VanDerWaalsContact CA-O 3.29Å; P117-Y137 WeakPolarHBondContact CA-O 3.45Å; P117-Y137 VanDerWaalsContact CB-O 3.29Å; P117-Y137 WeakPolarHBondContact CB-O 3.27Å; P117-F138 HydrophobicContact CB-CD1 3.97Å; P117-F138 HydrophobicContact CB-CD2 4.42Å; P117-F138 HydrophobicContact CB-CE1 3.68Å; P117-F138 HydrophobicContact CB-CE2 4.14Å; P117-F138 HydrophobicContact CB-CG 4.33Å; P117-F138 HydrophobicContact CB-CZ 3.78Å; P117-F138 HydrophobicContact CG-CE1 3.94Å; P117-F138 HydrophobicContact CG-CZ 4Å |
| 118 | K | 90.1 | Very high | 79.8 | Confident | 80 Ų | 80 | 75.9 Ų | 75.9 | 35% | 0.348 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 129.2 | 170.9 | -67.4 | -176.7 | -179.9 | -177.3 | 0 | 109.6 | W116 Y137 | W116-K118 HydrophobicContact CD2-CG 4.37Å; W116-K118 HydrophobicContact CE3-CB 4.41Å; W116-K118 HydrophobicContact CE3-CG 4.02Å; W116-K118 HydrophobicContact CH2-CD 3.88Å; W116-K118 HydrophobicContact CH2-CG 4.24Å; W116-K118 HydrophobicContact CZ2-CD 4.17Å; W116-K118 HydrophobicContact CZ3-CB 4.22Å; W116-K118 HydrophobicContact CZ3-CD 4.07Å; W116-K118 HydrophobicContact CZ3-CG 3.95Å; K118-Y137 PolarHBondContact N-O 2.63Å; K118-Y137 WeakPolarHBondContact O-CD2 3.28Å; K118-Y137 PolarHBondContact O-N 3.2Å |
| 119 | I | 92.2 | Very high | 81.5 | Confident | 9 Ų | 9 | 81.7 Ų | 81.7 | 5% | 0.046 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 131.9 | -174.2 | -55.1 | -55.6 | 0 | 0 | 0 | 111 | K77 L80 Q81 L84 P117 I121 A136 | K77-I119 WeakPolarHBondContact CE-O 2.96Å; K77-I119 HydrophobicContact CG-CB 3.85Å; K77-I119 HydrophobicContact CG-CG2 4.15Å; L80-I119 HydrophobicContact CB-CG2 4.41Å; L80-I119 HydrophobicContact CD2-CG2 3.66Å; L80-I119 HydrophobicContact CG-CD1 4.44Å; L80-I119 HydrophobicContact CG-CG2 4.1Å; Q81-I119 HydrophobicContact CB-CG1 3.83Å; Q81-I119 HydrophobicContact CG-CG1 4.44Å; L84-I119 HydrophobicContact CD1-CD1 3.55Å; P117-I119 HydrophobicContact CB-CD1 4.24Å; P117-I119 HydrophobicContact CG-CD1 4.11Å; I119-I121 HydrophobicContact CG2-CG1 4.15Å; I119-A136 HydrophobicContact CD1-CB 3.53Å |
| 120 | H | 92 | Very high | 83.4 | Confident | 70 Ų | 70 | 78.2 Ų | 78.2 | 32% | 0.324 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 103.2 | 171.4 | -179.1 | 72.3 | 0 | 0 | 0 | 110.3 | F58 A134 F135 Y137 | F58-H120 HydrophobicContact CD2-CB 4.33Å; F58-H120 HydrophobicContact CE2-CB 3.9Å; F58-H120 AromaticContact CE2-ND1 3.86Å; H120-A134 CarbonylContact O-C 3.57Å; H120-A134 WeakPolarHBondContact O-CA 3.18Å; H120-A134 WeakPolarHBondContact O-CB 3.47Å; H120-F135 PolarHBondContact N-O 3.13Å; H120-F135 PolarHBondContact O-N 2.92Å; H120-Y137 HydrophobicContact CB-CE2 3.87Å |
| 121 | I | 93.7 | Very high | 85.4 | Confident | 21 Ų | 21 | 72.4 Ų | 72.4 | 11% | 0.108 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 129.4 | 172.8 | -60.6 | 174.8 | 0 | 0 | 0 | 108.3 | L71 K77 I119 H123 P130 A134 | L71-I121 HydrophobicContact CD2-CD1 4.42Å; L71-I121 HydrophobicContact CD2-CG1 4.36Å; K77-I121 HydrophobicContact CB-CD1 4.38Å; I119-I121 HydrophobicContact CG2-CG1 4.15Å; I121-H123 PolarHBondContact O-CE1 3.12Å; I121-H123 VanDerWaalsContact O-CE1 3.27Å; I121-H123 PolarHBondContact O-ND1 2.97Å; I121-P130 HydrophobicContact CG2-CB 4.14Å; I121-A134 HydrophobicContact CB-CB 4.42Å; I121-A134 HydrophobicContact CG1-CB 4Å |
| 122 | V | 93.3 | Very high | 87.3 | Confident | 21 Ų | 21 | 71 Ų | 71 | 13% | 0.127 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 130.2 | 180 | -176.1 | 0 | 0 | 0 | 0 | 110 | C131 Y133 F135 | V122-C131 PolarHBondContact O-N 2.92Å; V122-Y133 HydrophobicContact CB-CD2 4.07Å; V122-Y133 HydrophobicContact CB-CE1 4.11Å; V122-Y133 HydrophobicContact CB-CE2 3.62Å; V122-Y133 HydrophobicContact CG1-CE1 4.14Å; V122-Y133 HydrophobicContact CG1-CE2 3.98Å; V122-Y133 WeakPolarHBondContact CG1-OH 3.12Å; V122-Y133 HydrophobicContact CG2-CD2 3.86Å; V122-Y133 HydrophobicContact CG2-CE2 3.42Å; V122-Y133 VanDerWaalsContact CG2-CE2 3.42Å; V122-Y133 PolarHBondContact N-O 2.98Å; V122-F135 HydrophobicContact CG2-CD2 3.87Å; V122-F135 HydrophobicContact CG2-CE2 3.75Å |
| 123 | H | 94.3 | Very high | 89.2 | Confident | 93 Ų | 93 | 73 Ų | 73 | 43% | 0.431 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 153.5 | 179.2 | -58.9 | 81.5 | 0 | 0 | 0 | 110.1 | I121 I125 G128 Y129 | I121-H123 PolarHBondContact O-CE1 3.12Å; I121-H123 VanDerWaalsContact O-CE1 3.27Å; I121-H123 PolarHBondContact O-ND1 2.97Å; H123-I125 PolarHBondContact O-N 3.17Å; H123-G128 PolarHBondContact CD2-O 3.41Å; H123-Y129 CarbonylContact C-O 3.4Å; H123-Y129 WeakPolarHBondContact CA-O 3.24Å |
| 124 | N | 93.3 | Very high | 91 | Very high | 67 Ų | 67 | 68.6 Ų | 68.6 | 36% | 0.358 | 35% | 0.353 | S | S | . | . | trans | -67.1 | 124.8 | 169.3 | -177.3 | -29.5 | 0 | 0 | 0 | 107.8 | V126 T127 G128 Y129 C131 | N124-V126 PolarHBondContact O-N 3.23Å; N124-V126 PolarHBondContact OD1-N 3.1Å; N124-T127 VanDerWaalsContact CB-OG1 3.31Å; N124-T127 WeakPolarHBondContact CB-OG1 3.06Å; N124-T127 PolarHBondContact OD1-N 3.15Å; N124-G128 WeakPolarHBondContact O-CA 3.21Å; N124-G128 PolarHBondContact O-N 3.32Å; N124-Y129 PolarHBondContact N-O 3.25Å; N124-C131 PolarHBondContact N-SG 3.06Å | ||
| 125 | I | 92.4 | Very high | 92.3 | Very high | 172 Ų | 172 | 61.7 Ų | 61.7 | 88% | 0.882 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -33.8 | -175.1 | -59.7 | 168 | 0 | 0 | 0 | 111.2 | H123 | H123-I125 PolarHBondContact O-N 3.17Š|
| 126 | V | 94.8 | Very high | 93 | Very high | 134 Ų | 134 | 59.9 Ų | 59.9 | 81% | 0.812 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -49.2 | -176.6 | -177 | 0 | 0 | 0 | 0 | 111.1 | N124 | N124-V126 PolarHBondContact O-N 3.23Å; N124-V126 PolarHBondContact OD1-N 3.1Å |
| 127 | T | 95.3 | Very high | 93.5 | Very high | 76 Ų | 76 | 56.5 Ų | 56.5 | 47% | 0.466 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -11.4 | -170.6 | 68.5 | 0 | 0 | 0 | 0 | 114.1 | N124 Y129 | N124-T127 VanDerWaalsContact CB-OG1 3.31Å; N124-T127 WeakPolarHBondContact CB-OG1 3.06Å; N124-T127 PolarHBondContact OD1-N 3.15Å; T127-Y129 PolarHBondContact O-N 3.2Å; T127-Y129 PolarHBondContact OG1-N 3.27Å |
| 128 | G | 93.1 | Very high | 93.6 | Very high | 49 Ų | 49 | 56.6 Ų | 56.6 | 51% | 0.505 | 30% | 0.299 | S | S | . | . | trans | 70.1 | -14.3 | -174 | 0 | 0 | 0 | 0 | 0 | 115.2 | H123 N124 | H123-G128 PolarHBondContact CD2-O 3.41Å; N124-G128 WeakPolarHBondContact O-CA 3.21Å; N124-G128 PolarHBondContact O-N 3.32Å | ||
| 129 | Y | 93.7 | Very high | 93.6 | Very high | 175 Ų | 175 | 56.4 Ų | 56.4 | 69% | 0.686 | 31% | 0.308 | S | S | * | . | trans | -64.6 | 144.4 | 177.5 | -71.1 | -65.4 | 0 | 0 | 0 | 112.9 | H123 N124 T127 C131 | H123-Y129 CarbonylContact C-O 3.4Å; H123-Y129 WeakPolarHBondContact CA-O 3.24Å; N124-Y129 PolarHBondContact N-O 3.25Å; T127-Y129 PolarHBondContact O-N 3.2Å; T127-Y129 PolarHBondContact OG1-N 3.27Å; Y129-C131 PolarHBondContact O-N 3.3Å | ||
| 130 | P | 94.3 | Very high | 93.5 | Very high | 32 Ų | 32 | 58.1 Ų | 58.1 | 21% | 0.208 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 135.1 | 177.9 | 24.7 | -30.6 | 0 | 0 | 0 | 111.3 | Y73 I121 G132 | Y73-P130 HydrophobicContact CD1-CG 4.27Å; Y73-P130 VanDerWaalsContact CD1-O 3.23Å; Y73-P130 WeakPolarHBondContact CD1-O 3.43Å; Y73-P130 WeakPolarHBondContact CE1-O 3.36Å; Y73-P130 WeakPolarHBondContact O-CG 3.45Å; I121-P130 HydrophobicContact CG2-CB 4.14Å; P130-G132 PolarHBondContact O-N 3.32Å |
| 131 | C | 93.6 | Very high | 93.6 | Very high | 54 Ų | 54 | 58 Ų | 58 | 37% | 0.365 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | -2.1 | -180 | -65 | 0 | 0 | 0 | 0 | 114 | V122 N124 Y129 Y133 | V122-C131 PolarHBondContact O-N 2.92Å; N124-C131 PolarHBondContact N-SG 3.06Å; Y129-C131 PolarHBondContact O-N 3.3Å; C131-Y133 HydrophobicContact CB-CD1 3.64Å; C131-Y133 HydrophobicContact CB-CE1 3.37Å |
| 132 | G | 93.7 | Very high | 93.6 | Very high | 10 Ų | 10 | 60 Ų | 60 | 10% | 0.103 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 79.2 | 24.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | R70 L71 P130 | R70-G132 PolarHBondContact N-O 3.39Å; R70-G132 VanDerWaalsContact N-O 3.14Å; L71-G132 PolarHBondContact N-O 3.41Å; L71-G132 VanDerWaalsContact O-CA 3.31Å; L71-G132 WeakPolarHBondContact O-CA 3.29Å; P130-G132 PolarHBondContact O-N 3.32Å |
| 133 | Y | 95 | Very high | 93.6 | Very high | 77 Ų | 77 | 60.9 Ų | 60.9 | 30% | 0.302 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 158.1 | 169.1 | 69.7 | -83.2 | 0 | 0 | 0 | 111.7 | F67 V68 V122 C131 F135 | F67-Y133 HydrophobicContact CD2-CD2 4.43Å; F67-Y133 AromaticContact CE2-CD2 3.67Å; F67-Y133 HydrophobicContact CE2-CD2 3.67Å; F67-Y133 HydrophobicContact CE2-CG 4Å; F67-Y133 HydrophobicContact CZ-CG 4.49Å; V68-Y133 CarbonylContact O-C 3.55Å; V68-Y133 WeakPolarHBondContact O-CA 3Å; V68-Y133 VanDerWaalsContact O-CB 3.26Å; V68-Y133 WeakPolarHBondContact O-CB 3.43Å; V122-Y133 HydrophobicContact CB-CD2 4.07Å; V122-Y133 HydrophobicContact CB-CE1 4.11Å; V122-Y133 HydrophobicContact CB-CE2 3.62Å; V122-Y133 HydrophobicContact CG1-CE1 4.14Å; V122-Y133 HydrophobicContact CG1-CE2 3.98Å; V122-Y133 WeakPolarHBondContact CG1-OH 3.12Å; V122-Y133 HydrophobicContact CG2-CD2 3.86Å; V122-Y133 HydrophobicContact CG2-CE2 3.42Å; V122-Y133 VanDerWaalsContact CG2-CE2 3.42Å; V122-Y133 PolarHBondContact N-O 2.98Å; C131-Y133 HydrophobicContact CB-CD1 3.64Å; C131-Y133 HydrophobicContact CB-CE1 3.37Å; Y133-F135 HydrophobicContact CD2-CE2 4.12Å; Y133-F135 HydrophobicContact CD2-CZ 4.26Å; Y133-F135 AromaticContact CE2-CE2 3.78Å; Y133-F135 HydrophobicContact CE2-CE2 3.78Å; Y133-F135 HydrophobicContact CE2-CZ 4.01Å |
| 134 | A | 95 | Very high | 93.6 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 162.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | V68 L71 L80 H120 I121 | V68-A134 HydrophobicContact CB-CB 4.21Å; V68-A134 PolarHBondContact N-O 3.22Å; V68-A134 PolarHBondContact O-N 3.09Å; L71-A134 HydrophobicContact CD2-CB 4.22Å; L80-A134 HydrophobicContact CD2-CB 3.78Å; H120-A134 CarbonylContact O-C 3.57Å; H120-A134 WeakPolarHBondContact O-CA 3.18Å; H120-A134 WeakPolarHBondContact O-CB 3.47Å; I121-A134 HydrophobicContact CB-CB 4.42Å; I121-A134 HydrophobicContact CG1-CB 4Å |
| 135 | F | 94.4 | Very high | 93.6 | Very high | 36 Ų | 36 | 58.2 Ų | 58.2 | 16% | 0.158 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 127 | 168.9 | -61.9 | -76.4 | 0 | 0 | 0 | 109 | T65 I66 F67 H120 V122 Y133 Y137 Y186 | T65-F135 HydrophobicContact CG2-CB 4.2Å; T65-F135 HydrophobicContact CG2-CD1 4.32Å; I66-F135 WeakPolarHBondContact O-CA 3.38Å; F67-F135 HydrophobicContact CB-CE1 4.44Å; F67-F135 HydrophobicContact CD2-CD1 4.25Å; F67-F135 AromaticContact CD2-CE1 3.66Å; F67-F135 HydrophobicContact CD2-CE1 3.66Å; F67-F135 HydrophobicContact CD2-CZ 4.18Å; F67-F135 HydrophobicContact CE2-CE1 4.5Å; H120-F135 PolarHBondContact N-O 3.13Å; H120-F135 PolarHBondContact O-N 2.92Å; V122-F135 HydrophobicContact CG2-CD2 3.87Å; V122-F135 HydrophobicContact CG2-CE2 3.75Å; Y133-F135 HydrophobicContact CD2-CE2 4.12Å; Y133-F135 HydrophobicContact CD2-CZ 4.26Å; Y133-F135 AromaticContact CE2-CE2 3.78Å; Y133-F135 HydrophobicContact CE2-CE2 3.78Å; Y133-F135 HydrophobicContact CE2-CZ 4.01Å; F135-Y137 HydrophobicContact CB-CE2 3.97Å; F135-Y186 AromaticContact CD1-CD2 3.79Å; F135-Y186 HydrophobicContact CD1-CD2 3.79Å; F135-Y186 HydrophobicContact CD1-CE2 4.13Å; F135-Y186 AromaticContact CE1-CD2 3.46Å; F135-Y186 HydrophobicContact CE1-CD2 3.46Å; F135-Y186 VanDerWaalsContact CE1-CD2 3.46Å; F135-Y186 AromaticContact CE1-CE2 3.55Å; F135-Y186 HydrophobicContact CE1-CE2 3.55Å; F135-Y186 HydrophobicContact CZ-CD2 4.45Å; F135-Y186 HydrophobicContact CZ-CE2 4.12Å |
| 136 | A | 94.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 121.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | T65 I66 V68 L84 I119 F138 | T65-A136 CarbonylContact C-O 3.6Å; T65-A136 WeakPolarHBondContact CA-O 3.49Å; I66-A136 HydrophobicContact CB-CB 4.41Å; I66-A136 PolarHBondContact N-O 3.15Å; I66-A136 PolarHBondContact O-N 3.09Å; V68-A136 HydrophobicContact CG2-CB 4.34Å; L84-A136 HydrophobicContact CD1-CB 3.52Å; I119-A136 HydrophobicContact CD1-CB 3.53Å; A136-F138 HydrophobicContact CB-CE2 3.93Å |
| 137 | Y | 93.7 | Very high | 93.6 | Very high | 11 Ų | 11 | 49 Ų | 49 | 4% | 0.043 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 131.4 | 178.4 | -56.3 | -91.1 | 0 | 0 | 0 | 108.8 | H56 F58 N59 T65 W116 P117 K118 H120 F135 | H56-Y137 HydrophobicContact CB-CE1 4.35Å; F58-Y137 HydrophobicContact CB-CD1 3.91Å; F58-Y137 HydrophobicContact CB-CD2 3.73Å; F58-Y137 HydrophobicContact CB-CE1 4.05Å; F58-Y137 HydrophobicContact CB-CE2 3.92Å; F58-Y137 HydrophobicContact CB-CG 3.73Å; F58-Y137 AromaticContact CD2-CD2 3.86Å; F58-Y137 HydrophobicContact CD2-CD2 3.86Å; F58-Y137 AromaticContact CD2-CE2 3.37Å; F58-Y137 HydrophobicContact CD2-CE2 3.37Å; F58-Y137 AromaticContact CD2-CZ 3.77Å; F58-Y137 HydrophobicContact CE2-CE2 4.28Å; F58-Y137 HydrophobicContact CG-CD2 4.11Å; F58-Y137 HydrophobicContact CG-CE2 4.03Å; N59-Y137 HydrophobicContact CB-CD1 3.9Å; T65-Y137 HydrophobicContact CG2-CD1 3.97Å; T65-Y137 HydrophobicContact CG2-CE1 3.86Å; T65-Y137 WeakPolarHBondContact OG1-CD1 3.26Å; W116-Y137 WeakPolarHBondContact CZ3-O 3.45Å; P117-Y137 CarbonylContact C-O 3.53Å; P117-Y137 VanDerWaalsContact CA-O 3.29Å; P117-Y137 WeakPolarHBondContact CA-O 3.45Å; P117-Y137 VanDerWaalsContact CB-O 3.29Å; P117-Y137 WeakPolarHBondContact CB-O 3.27Å; K118-Y137 PolarHBondContact N-O 2.63Å; K118-Y137 WeakPolarHBondContact O-CD2 3.28Å; K118-Y137 PolarHBondContact O-N 3.2Å; H120-Y137 HydrophobicContact CB-CE2 3.87Å; F135-Y137 HydrophobicContact CB-CE2 3.97Å |
| 138 | F | 92.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | trans | -106.7 | 160.6 | 175.9 | -69.9 | -94.3 | 0 | 0 | 0 | 110.2 | N59 A64 I66 L84 L88 W116 P117 A136 D143 A144 V147 | N59-F138 PolarHBondContact ND2-O 3.38Å; A64-F138 PolarHBondContact O-N 2.82Å; I66-F138 HydrophobicContact CB-CE2 4.19Å; I66-F138 HydrophobicContact CD1-CD2 4.12Å; I66-F138 HydrophobicContact CD1-CE2 3.42Å; I66-F138 VanDerWaalsContact CD1-CE2 3.42Å; I66-F138 HydrophobicContact CD1-CZ 3.95Å; I66-F138 HydrophobicContact CG1-CD2 4.18Å; I66-F138 HydrophobicContact CG1-CE2 3.78Å; L84-F138 HydrophobicContact CB-CZ 4.48Å; L88-F138 HydrophobicContact CD2-CD1 4.36Å; L88-F138 HydrophobicContact CD2-CE1 4.34Å; W116-F138 VanDerWaalsContact CE3-C 3.43Å; W116-F138 VanDerWaalsContact CZ3-C 3.41Å; W116-F138 WeakPolarHBondContact CZ3-O 3.45Å; P117-F138 HydrophobicContact CB-CD1 3.97Å; P117-F138 HydrophobicContact CB-CD2 4.42Å; P117-F138 HydrophobicContact CB-CE1 3.68Å; P117-F138 HydrophobicContact CB-CE2 4.14Å; P117-F138 HydrophobicContact CB-CG 4.33Å; P117-F138 HydrophobicContact CB-CZ 3.78Å; P117-F138 HydrophobicContact CG-CE1 3.94Å; P117-F138 HydrophobicContact CG-CZ 4Å; A136-F138 HydrophobicContact CB-CE2 3.93Å; F138-D143 HydrophobicContact CB-CB 4.14Å; F138-D143 HydrophobicContact CD1-CB 4Å; F138-D143 HydrophobicContact CG-CB 4.4Å; F138-A144 HydrophobicContact CB-CB 4.2Å; F138-A144 HydrophobicContact CD2-CB 3.89Å; F138-A144 HydrophobicContact CG-CB 4.11Å; F138-V147 HydrophobicContact CE1-CG2 3.66Å; F138-V147 HydrophobicContact CZ-CB 4.26Å; F138-V147 HydrophobicContact CZ-CG1 4.3Å; F138-V147 HydrophobicContact CZ-CG2 3.79Å | ||
| 139 | S | 89.8 | Confident | 93.4 | Very high | 76 Ų | 76 | 49 Ų | 49 | 53% | 0.531 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -66.5 | -42.6 | 176.5 | -171.8 | 0 | 0 | 0 | 0 | 110.7 | ||
| 140 | S | 91.2 | Very high | 93.2 | Very high | 46 Ų | 46 | 40.8 Ų | 40.8 | 32% | 0.322 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -123.7 | 153.5 | 179.7 | -178.8 | 0 | 0 | 0 | 0 | 112.7 | S142 D143 A144 | S140-S142 PolarHBondContact O-N 2.8Å; S140-S142 PolarHBondContact OG-N 2.79Å; S140-D143 PolarHBondContact O-N 2.86Å; S140-A144 PolarHBondContact O-N 3.19Å |
| 141 | E | 93.8 | Very high | 92.9 | Very high | 68 Ų | 68 | 39.3 Ų | 39.3 | 32% | 0.318 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -57.7 | -39.7 | 167.7 | 170.3 | 175.9 | 173 | 0 | 0 | 111.1 | K63 D143 A144 E145 | K63-E141 HydrophobicContact CB-CB 4.31Å; K63-E141 HydrophobicContact CB-CG 3.77Å; K63-E141 HydrophobicContact CD-CG 4.24Å; K63-E141 WeakPolarHBondContact CD-OE1 3.46Å; K63-E141 VanDerWaalsContact CD-OE2 3.26Å; K63-E141 WeakPolarHBondContact CD-OE2 3.44Å; K63-E141 IonicContact NZ-OE1 3.77Å; K63-E141 PolarHBondContact NZ-OE1 2.65Å; K63-E141 IonicContact NZ-OE2 3.59Å; E141-D143 VanDerWaalsContact C-N 3.27Å; E141-D143 PolarHBondContact O-N 2.84Å; E141-A144 PolarHBondContact O-N 3.09Å; E141-E145 PolarHBondContact O-N 3.24Å |
| 142 | S | 93.4 | Very high | 92.5 | Very high | 63 Ų | 63 | 39.4 Ų | 39.4 | 44% | 0.441 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63.9 | -32.9 | 179.8 | -52.3 | 0 | 0 | 0 | 0 | 112.5 | S140 R146 | S140-S142 PolarHBondContact O-N 2.8Å; S140-S142 PolarHBondContact OG-N 2.79Å; S142-R146 WeakPolarHBondContact O-CB 3.35Å; S142-R146 WeakPolarHBondContact O-CD 3.4Å; S142-R146 WeakPolarHBondContact O-CG 3.47Å; S142-R146 PolarHBondContact O-N 2.89Å |
| 143 | D | 93.7 | Very high | 91.9 | Very high | 38 Ų | 38 | 42.8 Ų | 42.8 | 20% | 0.203 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -70.5 | -43.7 | 176.3 | -66.7 | -23.8 | 0 | 0 | 0 | 110.9 | L88 F138 S140 E141 E145 R146 V147 | L88-D143 HydrophobicContact CD1-CB 3.67Å; L88-D143 WeakPolarHBondContact CD1-O 3.44Å; L88-D143 HydrophobicContact CD2-CB 4.45Å; F138-D143 HydrophobicContact CB-CB 4.14Å; F138-D143 HydrophobicContact CD1-CB 4Å; F138-D143 HydrophobicContact CG-CB 4.4Å; S140-D143 PolarHBondContact O-N 2.86Å; E141-D143 VanDerWaalsContact C-N 3.27Å; E141-D143 PolarHBondContact O-N 2.84Å; D143-E145 VanDerWaalsContact C-N 3.33Å; D143-E145 PolarHBondContact O-N 3.36Å; D143-R146 WeakPolarHBondContact O-CB 3.24Å; D143-R146 PolarHBondContact O-N 3.39Å; D143-V147 WeakPolarHBondContact O-CG2 3.25Å; D143-V147 PolarHBondContact O-N 2.84Å |
| 144 | A | 94.3 | Very high | 91 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.6 | -43.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | I66 F138 S140 E141 V147 L148 | I66-A144 HydrophobicContact CD1-CB 4.22Å; I66-A144 WeakPolarHBondContact CD1-O 3.27Å; I66-A144 HydrophobicContact CG1-CB 4.05Å; F138-A144 HydrophobicContact CB-CB 4.2Å; F138-A144 HydrophobicContact CD2-CB 3.89Å; F138-A144 HydrophobicContact CG-CB 4.11Å; S140-A144 PolarHBondContact O-N 3.19Å; E141-A144 PolarHBondContact O-N 3.09Å; A144-V147 PolarHBondContact O-N 2.82Å; A144-L148 WeakPolarHBondContact O-CG 2.82Å; A144-L148 PolarHBondContact O-N 2.72Å |
| 145 | E | 93.8 | Very high | 89.4 | Confident | 105 Ų | 105 | 41.2 Ų | 41.2 | 49% | 0.491 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.1 | -40.9 | 177 | -166.8 | -168.7 | 165.8 | 0 | 0 | 112.2 | E141 D143 V147 L148 R149 | E141-E145 PolarHBondContact O-N 3.24Å; D143-E145 VanDerWaalsContact C-N 3.33Å; D143-E145 PolarHBondContact O-N 3.36Å; E145-V147 VanDerWaalsContact C-N 3.32Å; E145-V147 PolarHBondContact O-N 2.67Å; E145-L148 PolarHBondContact O-N 3.49Å; E145-R149 WeakPolarHBondContact O-CB 3.47Å; E145-R149 PolarHBondContact O-N 2.95Å; E145-R149 IonicContact OE1-NH1 3.34Å |
| 146 | R | 92.8 | Very high | 87.7 | Confident | 113 Ų | 113 | 44.6 Ų | 44.6 | 43% | 0.426 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -57.3 | -45.2 | 174.5 | -78.5 | 166.8 | -176.9 | -163.5 | 0.9 | 111.3 | L88 S142 D143 R149 A150 | L88-R146 HydrophobicContact CD1-CB 4.3Å; S142-R146 WeakPolarHBondContact O-CB 3.35Å; S142-R146 WeakPolarHBondContact O-CD 3.4Å; S142-R146 WeakPolarHBondContact O-CG 3.47Å; S142-R146 PolarHBondContact O-N 2.89Å; D143-R146 WeakPolarHBondContact O-CB 3.24Å; D143-R146 PolarHBondContact O-N 3.39Å; R146-R149 PolarHBondContact O-N 3.24Å; R146-A150 VanDerWaalsContact O-CB 3.27Å; R146-A150 WeakPolarHBondContact O-CB 3.45Å; R146-A150 PolarHBondContact O-N 2.87Å |
| 147 | V | 93.7 | Very high | 85.7 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.7 | -47 | 177.4 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | I66 L84 L87 L88 F138 D143 A144 E145 R149 A150 W151 L183 | I66-V147 HydrophobicContact CD1-CB 3.82Å; I66-V147 HydrophobicContact CD1-CG1 3.66Å; L84-V147 HydrophobicContact CD2-CG1 4.12Å; L87-V147 HydrophobicContact CB-CG1 4.28Å; L87-V147 HydrophobicContact CD1-CG1 4.42Å; L88-V147 HydrophobicContact CB-CG2 3.67Å; L88-V147 HydrophobicContact CD1-CG2 3.93Å; L88-V147 HydrophobicContact CG-CG2 4.39Å; F138-V147 HydrophobicContact CE1-CG2 3.66Å; F138-V147 HydrophobicContact CZ-CB 4.26Å; F138-V147 HydrophobicContact CZ-CG1 4.3Å; F138-V147 HydrophobicContact CZ-CG2 3.79Å; D143-V147 WeakPolarHBondContact O-CG2 3.25Å; D143-V147 PolarHBondContact O-N 2.84Å; A144-V147 PolarHBondContact O-N 2.82Å; E145-V147 VanDerWaalsContact C-N 3.32Å; E145-V147 PolarHBondContact O-N 2.67Å; V147-R149 VanDerWaalsContact C-N 3.33Å; V147-R149 PolarHBondContact O-N 2.85Å; V147-A150 PolarHBondContact O-N 3.25Å; V147-W151 VanDerWaalsContact O-CB 3.26Å; V147-W151 WeakPolarHBondContact O-CB 3.42Å; V147-W151 PolarHBondContact O-N 3.17Å; V147-L183 HydrophobicContact CG1-CD1 4.39Å |
| 148 | L | 92.9 | Very high | 83.7 | Confident | 20 Ų | 20 | 53.2 Ų | 53.2 | 11% | 0.105 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.2 | -39.5 | 178.3 | -71.6 | 169.5 | 0 | 0 | 0 | 112.4 | I66 A144 E145 R152 L183 P185 | I66-L148 HydrophobicContact CD1-CD1 4.49Å; I66-L148 HydrophobicContact CD1-CD2 4.17Å; I66-L148 HydrophobicContact CD1-CG 3.84Å; I66-L148 HydrophobicContact CG1-CD1 4.35Å; I66-L148 HydrophobicContact CG1-CD2 4.34Å; I66-L148 HydrophobicContact CG1-CG 4.16Å; I66-L148 HydrophobicContact CG2-CD2 4.17Å; A144-L148 WeakPolarHBondContact O-CG 2.82Å; A144-L148 PolarHBondContact O-N 2.72Å; E145-L148 PolarHBondContact O-N 3.49Å; L148-R152 VanDerWaalsContact O-CG 3.29Å; L148-R152 WeakPolarHBondContact O-CG 3.44Å; L148-R152 PolarHBondContact O-N 3.28Å; L148-L183 HydrophobicContact CD2-CB 4.42Å; L148-P185 HydrophobicContact CD1-CB 4.32Å; L148-P185 HydrophobicContact CD1-CG 3.85Å |
| 149 | R | 90.7 | Very high | 81.5 | Confident | 104 Ų | 104 | 54.2 Ų | 54.2 | 39% | 0.392 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.4 | -46.5 | 175.5 | -179 | 171.5 | 58 | -118 | 0.7 | 111.5 | E145 R146 V147 W151 R152 N153 | E145-R149 WeakPolarHBondContact O-CB 3.47Å; E145-R149 PolarHBondContact O-N 2.95Å; E145-R149 IonicContact OE1-NH1 3.34Å; R146-R149 PolarHBondContact O-N 3.24Å; V147-R149 VanDerWaalsContact C-N 3.33Å; V147-R149 PolarHBondContact O-N 2.85Å; R149-W151 VanDerWaalsContact C-N 3.26Å; R149-W151 PolarHBondContact O-N 3.22Å; R149-R152 PolarHBondContact O-N 3.14Å; R149-N153 WeakPolarHBondContact O-CB 3.42Å; R149-N153 PolarHBondContact O-N 3.45Å; R149-N153 PolarHBondContact O-ND2 3.24Å; R149-N153 PolarHBondContact O-OD1 2.83Å |
| 150 | A | 89.4 | Confident | 79.4 | Confident | 2 Ų | 2 | 60.8 Ų | 60.8 | 2% | 0.017 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.4 | -38.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R146 V147 Q154 | R146-A150 VanDerWaalsContact O-CB 3.27Å; R146-A150 WeakPolarHBondContact O-CB 3.45Å; R146-A150 PolarHBondContact O-N 2.87Å; V147-A150 PolarHBondContact O-N 3.25Å; A150-Q154 VanDerWaalsContact O-CG 3.29Å; A150-Q154 WeakPolarHBondContact O-CG 3.48Å; A150-Q154 PolarHBondContact O-N 3.36Å; A150-Q154 PolarHBondContact O-NE2 2.9Å |
| 151 | W | 88.7 | Confident | 77.2 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 0% | 0.004 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.8 | -50.5 | 174.2 | 175.7 | -106.4 | 0 | 0 | 0 | 112.2 | L87 V147 R149 N153 Q154 T155 H170 C171 L173 V181 L183 | L87-W151 HydrophobicContact CD1-CE3 4.25Å; V147-W151 VanDerWaalsContact O-CB 3.26Å; V147-W151 WeakPolarHBondContact O-CB 3.42Å; V147-W151 PolarHBondContact O-N 3.17Å; R149-W151 VanDerWaalsContact C-N 3.26Å; R149-W151 PolarHBondContact O-N 3.22Å; W151-N153 VanDerWaalsContact C-N 3.33Å; W151-N153 PolarHBondContact O-N 3.16Å; W151-Q154 WeakPolarHBondContact O-CB 3.45Å; W151-Q154 PolarHBondContact O-N 3.2Å; W151-Q154 VanDerWaalsContact O-N 3.16Å; W151-T155 PolarHBondContact O-N 3.17Å; W151-H170 HydrophobicContact CZ2-CB 4.46Å; W151-C171 WeakPolarHBondContact CH2-O 3.26Å; W151-C171 VanDerWaalsContact CZ3-O 3.32Å; W151-C171 WeakPolarHBondContact CZ3-O 3.42Å; W151-L173 HydrophobicContact CZ3-CB 4.23Å; W151-V181 WeakPolarHBondContact CZ2-O 3.46Å; W151-L183 HydrophobicContact CB-CD1 4.14Å; W151-L183 HydrophobicContact CD2-CB 4.09Å; W151-L183 HydrophobicContact CD2-CD1 3.66Å; W151-L183 HydrophobicContact CD2-CG 3.9Å; W151-L183 HydrophobicContact CE3-CD1 3.71Å; W151-L183 HydrophobicContact CE3-CG 4.23Å; W151-L183 HydrophobicContact CG-CB 3.92Å; W151-L183 HydrophobicContact CG-CD1 3.86Å; W151-L183 HydrophobicContact CG-CG 4.19Å; W151-L183 HydrophobicContact CZ2-CG 4.45Å; W151-L183 HydrophobicContact CZ3-CD1 4.38Å |
| 152 | R | 84.5 | Confident | 74.8 | Confident | 57 Ų | 57 | 69.1 Ų | 69.1 | 22% | 0.215 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.5 | -42 | 178.1 | -73.2 | 170.6 | -175.6 | -162 | -3.9 | 112.5 | H18 L148 R149 Q154 T155 T156 | H18-R152 PolarHBondContact CD2-NH2 3.06Å; H18-R152 PolarHBondContact CE1-NH1 3.26Å; H18-R152 PolarHBondContact NE2-NH1 3.39Å; H18-R152 PolarHBondContact NE2-NH2 3.47Å; L148-R152 VanDerWaalsContact O-CG 3.29Å; L148-R152 WeakPolarHBondContact O-CG 3.44Å; L148-R152 PolarHBondContact O-N 3.28Å; R149-R152 PolarHBondContact O-N 3.14Å; R152-Q154 PolarHBondContact O-N 3.14Å; R152-T155 WeakPolarHBondContact O-CB 3.46Å; R152-T155 PolarHBondContact O-N 3.45Å; R152-T155 VanDerWaalsContact O-N 3.1Å; R152-T156 PolarHBondContact O-N 3.47Å; R152-T156 PolarHBondContact O-OG1 3.37Å |
| 153 | N | 82.2 | Confident | 72.7 | Confident | 81 Ų | 81 | 70.7 Ų | 70.7 | 43% | 0.433 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.9 | -31.4 | 178.9 | -68.8 | -10.1 | 0 | 0 | 0 | 112.1 | R149 W151 T155 V157 | R149-N153 WeakPolarHBondContact O-CB 3.42Å; R149-N153 PolarHBondContact O-N 3.45Å; R149-N153 PolarHBondContact O-ND2 3.24Å; R149-N153 PolarHBondContact O-OD1 2.83Å; W151-N153 VanDerWaalsContact C-N 3.33Å; W151-N153 PolarHBondContact O-N 3.16Å; N153-T155 VanDerWaalsContact C-N 3.35Å; N153-V157 WeakPolarHBondContact O-CG2 3.41Å |
| 154 | Q | 75.4 | Confident | 70.3 | Confident | 28 Ų | 28 | 72.4 Ų | 72.4 | 13% | 0.131 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -67.7 | -36.8 | 173.8 | -73 | 169.5 | 34.1 | 0 | 0 | 112.2 | K90 A150 W151 R152 C171 | K90-Q154 VanDerWaalsContact CD-NE2 3.33Å; K90-Q154 VanDerWaalsContact NZ-CG 3.3Å; A150-Q154 VanDerWaalsContact O-CG 3.29Å; A150-Q154 WeakPolarHBondContact O-CG 3.48Å; A150-Q154 PolarHBondContact O-N 3.36Å; A150-Q154 PolarHBondContact O-NE2 2.9Å; W151-Q154 WeakPolarHBondContact O-CB 3.45Å; W151-Q154 PolarHBondContact O-N 3.2Å; W151-Q154 VanDerWaalsContact O-N 3.16Å; R152-Q154 PolarHBondContact O-N 3.14Å; Q154-C171 HydrophobicContact CB-CB 4.25Å; Q154-C171 PolarHBondContact O-SG 3.06Å |
| 155 | T | 62.6 | Low | 67.9 | Low | 15 Ų | 15 | 78 Ų | 78 | 9% | 0.092 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -64.9 | -38.3 | 177.7 | -63.3 | 0 | 0 | 0 | 0 | 112.5 | W151 R152 N153 V157 H170 | W151-T155 PolarHBondContact O-N 3.17Å; R152-T155 WeakPolarHBondContact O-CB 3.46Å; R152-T155 PolarHBondContact O-N 3.45Å; R152-T155 VanDerWaalsContact O-N 3.1Å; N153-T155 VanDerWaalsContact C-N 3.35Å; T155-V157 VanDerWaalsContact C-N 3.32Å; T155-V157 PolarHBondContact O-N 3.37Å; T155-H170 WeakPolarHBondContact CG2-CD2 3.47Å |
| 156 | T | 57.1 | Low | 65.6 | Low | 107 Ų | 107 | 80.4 Ų | 80.4 | 66% | 0.656 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -70.3 | -25.5 | -175 | -51.5 | 0 | 0 | 0 | 0 | 113.7 | R152 | R152-T156 PolarHBondContact O-N 3.47Å; R152-T156 PolarHBondContact O-OG1 3.37Å |
| 157 | V | 53.5 | Low | 63.4 | Low | 123 Ų | 123 | 78.2 Ų | 78.2 | 75% | 0.745 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -79.3 | -26.4 | -170.8 | 175.8 | 0 | 0 | 0 | 0 | 113.2 | N153 T155 T159 | N153-V157 WeakPolarHBondContact O-CG2 3.41Å; T155-V157 VanDerWaalsContact C-N 3.32Å; T155-V157 PolarHBondContact O-N 3.37Å; V157-T159 VanDerWaalsContact C-N 3.35Å; V157-T159 PolarHBondContact O-N 3.18Å |
| 158 | S | 51.2 | Low | 61.4 | Low | 69 Ų | 69 | 83.4 Ų | 83.4 | 48% | 0.483 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 5.2 | -167 | -63.8 | 0 | 0 | 0 | 0 | 116.4 | C171 | S158-C171 PolarHBondContact OG-SG 3.11Š|
| 159 | T | 47.7 | Very low | 59.5 | Low | 22 Ų | 22 | 90.5 Ų | 90.5 | 14% | 0.135 | 47% | 0.468 | C | S | . | . | trans | -130.1 | 32.7 | -160 | 67 | 0 | 0 | 0 | 0 | 115.6 | V157 L161 D167 | V157-T159 VanDerWaalsContact C-N 3.35Å; V157-T159 PolarHBondContact O-N 3.18Å; T159-L161 VanDerWaalsContact C-N 3.3Å; T159-L161 PolarHBondContact O-N 3.31Å; T159-D167 WeakPolarHBondContact CB-O 3.25Å; T159-D167 WeakPolarHBondContact CG2-O 3.11Å | ||
| 160 | K | 45.5 | Very low | 57.9 | Low | 214 Ų | 214 | 87.3 Ų | 87.3 | 93% | 0.93 | 46% | 0.458 | S | S | * | . | trans | -86.1 | 75.8 | 153.8 | -77.4 | -173 | 179.9 | 178.9 | 0 | 109.4 | ||||
| 161 | L | 44.2 | Very low | 56.6 | Low | 79 Ų | 79 | 89.3 Ų | 89.3 | 41% | 0.414 | 47% | 0.471 | S | S | . | . | trans | -74.3 | 140.1 | 163.7 | -73.8 | 167.5 | 0 | 0 | 0 | 109.2 | T159 C163 G164 D167 | T159-L161 VanDerWaalsContact C-N 3.3Å; T159-L161 PolarHBondContact O-N 3.31Å; L161-C163 PolarHBondContact O-N 2.82Å; L161-G164 PolarHBondContact O-N 3.03Å; L161-D167 HydrophobicContact CD1-CB 3.75Å | ||
| 162 | H | 43.5 | Very low | 55.9 | Low | 211 Ų | 211 | 90.1 Ų | 90.1 | 98% | 0.977 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -0.1 | -178.9 | -86.7 | -49.4 | 0 | 0 | 0 | 115.3 | ||
| 163 | C | 48.6 | Very low | 55.7 | Low | 95 Ų | 95 | 87.8 Ų | 87.8 | 64% | 0.642 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.3 | 10.6 | -176.5 | 60.5 | 0 | 0 | 0 | 0 | 115 | L161 L165 | L161-C163 PolarHBondContact O-N 2.82Å; C163-L165 PolarHBondContact O-N 3.23Å |
| 164 | G | 43.3 | Very low | 55.6 | Low | 74 Ų | 74 | 90.2 Ų | 90.2 | 76% | 0.763 | 49% | 0.485 | S | S | * | . | S | Bend | trans | 69 | -5.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115 | L161 | L161-G164 PolarHBondContact O-N 3.03Š|
| 165 | L | 45.6 | Very low | 55.9 | Low | 118 Ų | 118 | 89.6 Ų | 89.6 | 62% | 0.618 | 48% | 0.482 | S | S | * | . | trans | -87.8 | 107.4 | 173.2 | -160.6 | 69.2 | 0 | 0 | 0 | 108.8 | C163 D167 | C163-L165 PolarHBondContact O-N 3.23Å; L165-D167 PolarHBondContact O-N 3.3Å | ||
| 166 | K | 45.8 | Very low | 56.5 | Low | 155 Ų | 155 | 92.3 Ų | 92.3 | 67% | 0.674 | 50% | 0.5 | S | S | * | . | trans | -74.1 | 90.8 | 173.6 | -64.4 | -178.8 | -178.1 | -179.6 | 0 | 108.9 | E168 | K166-E168 VanDerWaalsContact C-N 3.34Å; K166-E168 PolarHBondContact O-N 3.13Å | ||
| 167 | D | 45.2 | Very low | 57.7 | Low | 68 Ų | 68 | 92.8 Ų | 92.8 | 36% | 0.364 | 50% | 0.498 | S | S | . | . | trans | -69.9 | 96.2 | 160.7 | -102.4 | -1.1 | 0 | 0 | 0 | 107.1 | T159 L161 L165 R169 | T159-D167 WeakPolarHBondContact CB-O 3.25Å; T159-D167 WeakPolarHBondContact CG2-O 3.11Å; L161-D167 HydrophobicContact CD1-CB 3.75Å; L165-D167 PolarHBondContact O-N 3.3Å; D167-R169 HydrophobicContact CB-CG 4.39Å; D167-R169 PolarHBondContact O-N 3.34Å; D167-R169 IonicContact OD2-CZ 2.69Å; D167-R169 IonicContact OD2-NE 3.94Å; D167-R169 PolarHBondContact OD2-NE 2.66Å; D167-R169 IonicContact OD2-NH2 2.93Å; D167-R169 PolarHBondContact OD2-NH2 2.73Å | ||
| 168 | E | 52.3 | Low | 59 | Low | 109 Ų | 109 | 87 Ų | 87 | 51% | 0.509 | 46% | 0.463 | S | S | . | . | trans | -67.7 | 63.5 | 172.9 | -66.6 | -177.7 | 171.9 | 0 | 0 | 111 | K166 H170 | K166-E168 VanDerWaalsContact C-N 3.34Å; K166-E168 PolarHBondContact O-N 3.13Å; E168-H170 PolarHBondContact O-N 2.85Å | ||
| 169 | R | 53.2 | Low | 60.4 | Low | 168 Ų | 168 | 89.5 Ų | 89.5 | 63% | 0.634 | 47% | 0.471 | S | S | * | . | trans | -82.2 | 113.1 | 173.3 | -76.2 | -170.8 | -100.8 | 166.2 | -6.2 | 108.5 | D167 C171 | D167-R169 HydrophobicContact CB-CG 4.39Å; D167-R169 PolarHBondContact O-N 3.34Å; D167-R169 IonicContact OD2-CZ 2.69Å; D167-R169 IonicContact OD2-NE 3.94Å; D167-R169 PolarHBondContact OD2-NE 2.66Å; D167-R169 IonicContact OD2-NH2 2.93Å; D167-R169 PolarHBondContact OD2-NH2 2.73Å; R169-C171 PolarHBondContact O-N 3.28Å | ||
| 170 | H | 56.9 | Low | 62.2 | Low | 38 Ų | 38 | 95.6 Ų | 95.6 | 18% | 0.176 | 50% | 0.496 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 136 | 174 | -56.3 | 164.1 | 0 | 0 | 0 | 108.9 | W151 T155 E168 G172 I217 | W151-H170 HydrophobicContact CZ2-CB 4.46Å; T155-H170 WeakPolarHBondContact CG2-CD2 3.47Å; E168-H170 PolarHBondContact O-N 2.85Å; H170-G172 PolarHBondContact O-N 3.27Å; H170-I217 WeakPolarHBondContact CE1-CG2 3.41Å; H170-I217 PolarHBondContact CE1-O 3.31Å; H170-I217 PolarHBondContact NE2-O 3.02Å |
| 171 | C | 62.4 | Low | 64.4 | Low | 43 Ų | 43 | 85.4 Ų | 85.4 | 29% | 0.291 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 123.1 | 160.1 | -57.3 | 0 | 0 | 0 | 0 | 106.4 | W151 Q154 S158 R169 | W151-C171 WeakPolarHBondContact CH2-O 3.26Å; W151-C171 VanDerWaalsContact CZ3-O 3.32Å; W151-C171 WeakPolarHBondContact CZ3-O 3.42Å; Q154-C171 HydrophobicContact CB-CB 4.25Å; Q154-C171 PolarHBondContact O-SG 3.06Å; S158-C171 PolarHBondContact OG-SG 3.11Å; R169-C171 PolarHBondContact O-N 3.28Å |
| 172 | G | 73.1 | Confident | 66.7 | Low | 19 Ų | 19 | 82.7 Ų | 82.7 | 20% | 0.196 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -56.3 | 163.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | H170 G178 | H170-G172 PolarHBondContact O-N 3.27Å; G172-G178 WeakPolarHBondContact CA-O 3.48Å |
| 173 | L | 80.7 | Confident | 69.1 | Low | 8 Ų | 8 | 72.7 Ų | 72.7 | 4% | 0.042 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 143.2 | 162.6 | -173.1 | 65.2 | 0 | 0 | 0 | 108.3 | L80 A83 L87 W151 I175 G178 V181 | L80-L173 HydrophobicContact CD1-CD2 3.45Å; L80-L173 VanDerWaalsContact CD1-CD2 3.45Å; A83-L173 HydrophobicContact CB-CD1 3.83Å; A83-L173 HydrophobicContact CB-CD2 4.02Å; A83-L173 HydrophobicContact CB-CG 3.77Å; L87-L173 HydrophobicContact CD1-CD1 3.33Å; L87-L173 HydrophobicContact CG-CD1 4.15Å; W151-L173 HydrophobicContact CZ3-CB 4.23Å; L173-I175 HydrophobicContact CB-CG1 4.29Å; L173-I175 HydrophobicContact CD2-CD1 4.27Å; L173-I175 HydrophobicContact CD2-CG1 4.47Å; L173-I175 HydrophobicContact CD2-CG2 4.06Å; L173-I175 HydrophobicContact CG-CG1 4.46Å; L173-I175 HydrophobicContact CG-CG2 4.12Å; L173-I175 PolarHBondContact O-N 2.98Å; L173-G178 PolarHBondContact N-O 3.5Å; L173-G178 VanDerWaalsContact N-O 3.11Å; L173-G178 WeakPolarHBondContact O-CA 3.14Å; L173-V181 HydrophobicContact CB-CB 4.09Å; L173-V181 HydrophobicContact CB-CG1 4.05Å; L173-V181 HydrophobicContact CB-CG2 4.41Å; L173-V181 HydrophobicContact CD2-CG1 4.26Å |
| 174 | D | 80.1 | Confident | 71.3 | Confident | 132 Ų | 132 | 68.5 Ų | 68.5 | 71% | 0.706 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -72.1 | 71.2 | 178.3 | -168.4 | 15 | 0 | 0 | 0 | 111.5 | ||
| 175 | I | 80.6 | Confident | 73.7 | Confident | 14 Ų | 14 | 66 Ų | 66 | 7% | 0.072 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -140.8 | 156.9 | 175.4 | 65.1 | 169.1 | 0 | 0 | 0 | 108 | L71 T75 C79 A83 L173 N177 G178 V181 | L71-I175 HydrophobicContact CD1-CD1 3.74Å; T75-I175 HydrophobicContact CG2-CD1 3.85Å; C79-I175 WeakPolarHBondContact SG-CG2 3.22Å; A83-I175 HydrophobicContact CB-CG2 3.69Å; L173-I175 HydrophobicContact CB-CG1 4.29Å; L173-I175 HydrophobicContact CD2-CD1 4.27Å; L173-I175 HydrophobicContact CD2-CG1 4.47Å; L173-I175 HydrophobicContact CD2-CG2 4.06Å; L173-I175 HydrophobicContact CG-CG1 4.46Å; L173-I175 HydrophobicContact CG-CG2 4.12Å; L173-I175 PolarHBondContact O-N 2.98Å; I175-N177 PolarHBondContact O-N 2.89Å; I175-G178 VanDerWaalsContact CG1-CA 3.44Å; I175-G178 WeakPolarHBondContact O-CA 3.38Å; I175-G178 PolarHBondContact O-N 3.27Å; I175-V181 HydrophobicContact CD1-CG2 3.9Å |
| 176 | P | 76.8 | Confident | 76 | Confident | 73 Ų | 73 | 61.6 Ų | 61.6 | 47% | 0.474 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 126 | 173 | -26.4 | 35.8 | 0 | 0 | 0 | 111.2 | P72 G178 | P72-P176 WeakPolarHBondContact CG-O 3.18Å; P176-G178 PolarHBondContact O-N 2.84Å |
| 177 | N | 80.7 | Confident | 78.3 | Confident | 116 Ų | 116 | 54.8 Ų | 54.8 | 62% | 0.62 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 27.5 | -175.3 | -60 | 5.7 | 0 | 0 | 0 | 114.4 | P72 I175 D179 | P72-N177 HydrophobicContact CB-CB 4.29Å; P72-N177 HydrophobicContact CG-CB 3.84Å; P72-N177 VanDerWaalsContact CG-O 3.28Å; P72-N177 WeakPolarHBondContact CG-O 3.48Å; I175-N177 PolarHBondContact O-N 2.89Å; N177-D179 PolarHBondContact O-N 3.37Å |
| 178 | G | 81.7 | Confident | 80.5 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -71.8 | -5.5 | -178 | 0 | 0 | 0 | 0 | 0 | 115.8 | G172 L173 I175 P176 K180 V181 | G172-G178 WeakPolarHBondContact CA-O 3.48Å; L173-G178 PolarHBondContact N-O 3.5Å; L173-G178 VanDerWaalsContact N-O 3.11Å; L173-G178 WeakPolarHBondContact O-CA 3.14Å; I175-G178 VanDerWaalsContact CG1-CA 3.44Å; I175-G178 WeakPolarHBondContact O-CA 3.38Å; I175-G178 PolarHBondContact O-N 3.27Å; P176-G178 PolarHBondContact O-N 2.84Å; G178-K180 PolarHBondContact O-N 3.16Å; G178-K180 VanDerWaalsContact O-N 3.07Å; G178-V181 VanDerWaalsContact O-CB 3.31Å; G178-V181 WeakPolarHBondContact O-CB 3.26Å; G178-V181 WeakPolarHBondContact O-CG2 3.48Å; G178-V181 PolarHBondContact O-N 3.14Å |
| 179 | D | 81.4 | Confident | 82.2 | Confident | 122 Ų | 122 | 48.7 Ų | 48.7 | 65% | 0.652 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -54.7 | -31 | -175.7 | -56.2 | -31.8 | 0 | 0 | 0 | 114.3 | N177 | N177-D179 PolarHBondContact O-N 3.37Š|
| 180 | K | 85.6 | Confident | 84.1 | Confident | 151 Ų | 151 | 43 Ų | 43 | 66% | 0.657 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -99.5 | -3.3 | -175.5 | -64 | 179.1 | -175.4 | 171.7 | 0 | 113.1 | R70 G178 | R70-K180 WeakPolarHBondContact CB-O 3.31Å; R70-K180 WeakPolarHBondContact CD-O 3.03Å; G178-K180 PolarHBondContact O-N 3.16Å; G178-K180 VanDerWaalsContact O-N 3.07Å |
| 181 | V | 91.4 | Very high | 85.8 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -61.5 | 142.3 | -178 | 174.7 | 0 | 0 | 0 | 0 | 109.7 | V68 G69 L71 W151 L173 I175 G178 L183 | V68-V181 HydrophobicContact CG1-CG1 3.74Å; G69-V181 WeakPolarHBondContact O-CA 3.21Å; L71-V181 HydrophobicContact CD1-CG2 4.37Å; W151-V181 WeakPolarHBondContact CZ2-O 3.46Å; L173-V181 HydrophobicContact CB-CB 4.09Å; L173-V181 HydrophobicContact CB-CG1 4.05Å; L173-V181 HydrophobicContact CB-CG2 4.41Å; L173-V181 HydrophobicContact CD2-CG1 4.26Å; I175-V181 HydrophobicContact CD1-CG2 3.9Å; G178-V181 VanDerWaalsContact O-CB 3.31Å; G178-V181 WeakPolarHBondContact O-CB 3.26Å; G178-V181 WeakPolarHBondContact O-CG2 3.48Å; G178-V181 PolarHBondContact O-N 3.14Å; V181-L183 HydrophobicContact CG1-CD2 4.27Å | ||
| 182 | I | 91.8 | Very high | 87.2 | Confident | 22 Ų | 22 | 42.1 Ų | 42.1 | 11% | 0.113 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 134.8 | 174.8 | 58.1 | 172.5 | 0 | 0 | 0 | 109.3 | F67 V68 G69 R70 A218 | F67-I182 HydrophobicContact CE1-CD1 4.17Å; F67-I182 HydrophobicContact CE1-CG1 4.5Å; V68-I182 CarbonylContact C-O 3.52Å; V68-I182 WeakPolarHBondContact CA-O 3.36Å; G69-I182 VanDerWaalsContact CA-CG1 3.47Å; G69-I182 PolarHBondContact N-O 3.43Å; G69-I182 WeakPolarHBondContact O-CG1 3.31Å; G69-I182 PolarHBondContact O-N 3.46Å; R70-I182 HydrophobicContact CG-CD1 4.41Å; R70-I182 HydrophobicContact CG-CG1 4.39Å; I182-A218 HydrophobicContact CG2-CB 4.35Å |
| 183 | L | 94.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 119.5 | 172.4 | -58.1 | -176.4 | 0 | 0 | 0 | 109.3 | I66 F67 V68 L84 L87 V147 L148 W151 V181 I217 | I66-L183 HydrophobicContact CG2-CB 4.24Å; I66-L183 HydrophobicContact CG2-CD2 4.34Å; F67-L183 WeakPolarHBondContact O-CA 3.42Å; V68-L183 HydrophobicContact CB-CD2 4.1Å; V68-L183 HydrophobicContact CG1-CD2 3.85Å; V68-L183 HydrophobicContact CG2-CD2 3.69Å; L84-L183 HydrophobicContact CD2-CD1 3.86Å; L84-L183 HydrophobicContact CD2-CD2 4.1Å; L87-L183 HydrophobicContact CD1-CD1 3.79Å; V147-L183 HydrophobicContact CG1-CD1 4.39Å; L148-L183 HydrophobicContact CD2-CB 4.42Å; W151-L183 HydrophobicContact CB-CD1 4.14Å; W151-L183 HydrophobicContact CD2-CB 4.09Å; W151-L183 HydrophobicContact CD2-CD1 3.66Å; W151-L183 HydrophobicContact CD2-CG 3.9Å; W151-L183 HydrophobicContact CE3-CD1 3.71Å; W151-L183 HydrophobicContact CE3-CG 4.23Å; W151-L183 HydrophobicContact CG-CB 3.92Å; W151-L183 HydrophobicContact CG-CD1 3.86Å; W151-L183 HydrophobicContact CG-CG 4.19Å; W151-L183 HydrophobicContact CZ2-CG 4.45Å; W151-L183 HydrophobicContact CZ3-CD1 4.38Å; V181-L183 HydrophobicContact CG1-CD2 4.27Å; L183-I217 WeakPolarHBondContact O-CD1 3.49Å |
| 184 | E | 93.9 | Very high | 88.9 | Confident | 8 Ų | 8 | 43.5 Ų | 43.5 | 4% | 0.037 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 157.1 | 179.7 | -75.4 | -80.4 | -157.5 | 0 | 0 | 110.7 | I66 F67 F187 I217 | I66-E184 WeakPolarHBondContact CG2-O 3.47Å; F67-E184 HydrophobicContact CD1-CB 4.32Å; F67-E184 PolarHBondContact N-O 3.43Å; F67-E184 PolarHBondContact O-N 3.05Å; E184-F187 HydrophobicContact CB-CE2 3.93Å; E184-F187 HydrophobicContact CB-CZ 4.23Å; E184-F187 HydrophobicContact CG-CE2 4.16Å; E184-F187 WeakPolarHBondContact OE2-CZ 3.48Å; E184-I217 HydrophobicContact CG-CB 4.41Å; E184-I217 HydrophobicContact CG-CD1 3.96Å; E184-I217 HydrophobicContact CG-CG1 4.43Å; E184-I217 VanDerWaalsContact OE1-CB 3.24Å; E184-I217 WeakPolarHBondContact OE1-CB 3.4Å; E184-I217 WeakPolarHBondContact OE1-CG1 3.39Å; E184-I217 PolarHBondContact OE1-N 3.29Å; E184-I217 WeakPolarHBondContact OE2-CD1 3.31Å |
| 185 | P | 94.4 | Very high | 89.6 | Confident | 22 Ų | 22 | 39.5 Ų | 39.5 | 14% | 0.143 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.2 | 149.5 | 165 | -19 | 29.3 | 0 | 0 | 0 | 111.5 | L148 F187 | L148-P185 HydrophobicContact CD1-CB 4.32Å; L148-P185 HydrophobicContact CD1-CG 3.85Å; P185-F187 VanDerWaalsContact C-N 3.31Å; P185-F187 HydrophobicContact CB-CD1 4.16Å; P185-F187 HydrophobicContact CB-CE1 3.81Å; P185-F187 HydrophobicContact CB-CZ 4.46Å; P185-F187 HydrophobicContact CG-CE1 3.8Å; P185-F187 HydrophobicContact CG-CZ 4.19Å; P185-F187 PolarHBondContact O-N 3.25Å |
| 186 | Y | 93.9 | Very high | 90.3 | Very high | 25 Ų | 25 | 39.4 Ų | 39.4 | 10% | 0.098 | 22% | 0.221 | C | C | . | . | trans | -68.2 | 88 | 170.8 | 176.1 | -108.1 | 0 | 0 | 0 | 111.4 | H56 A62 T65 F135 G188 G189 T190 | H56-Y186 AromaticContact CE1-CD1 3.21Å; H56-Y186 WeakPolarHBondContact CE1-CD1 3.14Å; H56-Y186 AromaticContact CE1-CE1 3.03Å; H56-Y186 WeakPolarHBondContact CE1-CE1 3.4Å; H56-Y186 AromaticContact CE1-CZ 3.82Å; H56-Y186 AromaticContact NE2-CD1 3.83Å; H56-Y186 AromaticContact NE2-CE1 3.48Å; H56-Y186 WeakPolarHBondContact NE2-CE1 3.09Å; A62-Y186 HydrophobicContact CB-CD1 4.19Å; T65-Y186 HydrophobicContact CG2-CG 4.18Å; T65-Y186 VanDerWaalsContact O-CB 3.24Å; T65-Y186 WeakPolarHBondContact O-CB 3.26Å; T65-Y186 PolarHBondContact O-N 3.32Å; T65-Y186 VanDerWaalsContact O-N 3.09Å; F135-Y186 AromaticContact CD1-CD2 3.79Å; F135-Y186 HydrophobicContact CD1-CD2 3.79Å; F135-Y186 HydrophobicContact CD1-CE2 4.13Å; F135-Y186 AromaticContact CE1-CD2 3.46Å; F135-Y186 HydrophobicContact CE1-CD2 3.46Å; F135-Y186 VanDerWaalsContact CE1-CD2 3.46Å; F135-Y186 AromaticContact CE1-CE2 3.55Å; F135-Y186 HydrophobicContact CE1-CE2 3.55Å; F135-Y186 HydrophobicContact CZ-CD2 4.45Å; F135-Y186 HydrophobicContact CZ-CE2 4.12Å; Y186-G188 PolarHBondContact O-N 3.33Å; Y186-G189 VanDerWaalsContact CD1-N 3.28Å; Y186-G189 PolarHBondContact O-N 2.9Å; Y186-T190 VanDerWaalsContact C-OG1 3.26Å; Y186-T190 WeakPolarHBondContact O-CB 3.16Å; Y186-T190 WeakPolarHBondContact O-CG2 3.31Å; Y186-T190 PolarHBondContact O-N 2.92Å; Y186-T190 VanDerWaalsContact O-N 3.16Å; Y186-T190 PolarHBondContact O-OG1 3.25Å | ||
| 187 | F | 93.7 | Very high | 91.1 | Very high | 12 Ų | 12 | 39.8 Ų | 39.8 | 5% | 0.053 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.7 | -24.8 | -176.6 | -62.7 | -45.8 | 0 | 0 | 0 | 114 | H18 E184 P185 G189 T190 L191 W194 L203 | H18-F187 HydrophobicContact CB-CD1 4.44Å; H18-F187 HydrophobicContact CB-CE1 3.55Å; H18-F187 HydrophobicContact CB-CZ 4.17Å; E184-F187 HydrophobicContact CB-CE2 3.93Å; E184-F187 HydrophobicContact CB-CZ 4.23Å; E184-F187 HydrophobicContact CG-CE2 4.16Å; E184-F187 WeakPolarHBondContact OE2-CZ 3.48Å; P185-F187 VanDerWaalsContact C-N 3.31Å; P185-F187 HydrophobicContact CB-CD1 4.16Å; P185-F187 HydrophobicContact CB-CE1 3.81Å; P185-F187 HydrophobicContact CB-CZ 4.46Å; P185-F187 HydrophobicContact CG-CE1 3.8Å; P185-F187 HydrophobicContact CG-CZ 4.19Å; P185-F187 PolarHBondContact O-N 3.25Å; F187-G189 PolarHBondContact O-N 2.77Å; F187-T190 PolarHBondContact O-N 2.74Å; F187-L191 HydrophobicContact CB-CB 3.98Å; F187-L191 HydrophobicContact CB-CD2 4.35Å; F187-L191 HydrophobicContact CD1-CB 3.85Å; F187-L191 HydrophobicContact CD1-CD2 3.83Å; F187-L191 HydrophobicContact CD1-CG 4.47Å; F187-L191 HydrophobicContact CE1-CD2 4.36Å; F187-L191 HydrophobicContact CG-CB 4.29Å; F187-L191 HydrophobicContact CG-CD2 4.11Å; F187-L191 PolarHBondContact O-N 2.69Å; F187-W194 HydrophobicContact CB-CD2 3.5Å; F187-W194 HydrophobicContact CB-CE3 3.47Å; F187-W194 VanDerWaalsContact CB-CE3 3.47Å; F187-W194 HydrophobicContact CB-CG 4.02Å; F187-W194 HydrophobicContact CB-CH2 4.14Å; F187-W194 HydrophobicContact CB-CZ2 4.18Å; F187-W194 HydrophobicContact CB-CZ3 3.79Å; F187-W194 HydrophobicContact CD2-CE3 4.17Å; F187-W194 AromaticContact CD2-CH2 3.75Å; F187-W194 HydrophobicContact CD2-CH2 3.75Å; F187-W194 HydrophobicContact CD2-CZ2 4.43Å; F187-W194 AromaticContact CD2-CZ3 3.6Å; F187-W194 HydrophobicContact CD2-CZ3 3.6Å; F187-W194 HydrophobicContact CG-CE3 4.06Å; F187-W194 HydrophobicContact CG-CH2 4.38Å; F187-W194 AromaticContact CG-CZ3 3.97Å; F187-W194 HydrophobicContact CG-CZ3 3.97Å; F187-W194 WeakPolarHBondContact O-CB 3.43Å; F187-L203 HydrophobicContact CD2-CD1 3.85Å; F187-L203 HydrophobicContact CE2-CD1 3.46Å; F187-L203 VanDerWaalsContact CE2-CD1 3.46Å; F187-L203 HydrophobicContact CZ-CD1 4.32Å |
| 188 | G | 91.5 | Very high | 91.7 | Very high | 13 Ų | 13 | 42.7 Ų | 42.7 | 13% | 0.134 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -55.2 | -35.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | S53 Y186 | S53-G188 VanDerWaalsContact CB-O 3.31Å; S53-G188 WeakPolarHBondContact CB-O 3.41Å; S53-G188 PolarHBondContact OG-O 2.99Å; Y186-G188 PolarHBondContact O-N 3.33Å |
| 189 | G | 88.5 | Confident | 92.3 | Very high | 36 Ų | 36 | 44.7 Ų | 44.7 | 37% | 0.371 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -117.2 | -8.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y186 F187 | Y186-G189 VanDerWaalsContact CD1-N 3.28Å; Y186-G189 PolarHBondContact O-N 2.9Å; F187-G189 PolarHBondContact O-N 2.77Å |
| 190 | T | 91.7 | Very high | 93 | Very high | 47 Ų | 47 | 38.9 Ų | 38.9 | 29% | 0.288 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -108.5 | -25.9 | -177.2 | 60.8 | 0 | 0 | 0 | 0 | 114.3 | A62 K63 Y186 F187 P192 | A62-T190 HydrophobicContact CB-CG2 3.84Å; A62-T190 WeakPolarHBondContact O-CG2 3.16Å; K63-T190 HydrophobicContact CB-CG2 4.29Å; K63-T190 HydrophobicContact CG-CG2 3.78Å; Y186-T190 VanDerWaalsContact C-OG1 3.26Å; Y186-T190 WeakPolarHBondContact O-CB 3.16Å; Y186-T190 WeakPolarHBondContact O-CG2 3.31Å; Y186-T190 PolarHBondContact O-N 2.92Å; Y186-T190 VanDerWaalsContact O-N 3.16Å; Y186-T190 PolarHBondContact O-OG1 3.25Å; F187-T190 PolarHBondContact O-N 2.74Å; T190-P192 WeakPolarHBondContact O-CD 3.38Å |
| 191 | L | 93.1 | Very high | 93.4 | Very high | 11 Ų | 11 | 31.7 Ų | 31.7 | 6% | 0.058 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -110.5 | 107.3 | -175.2 | -172.7 | 60.6 | 0 | 0 | 0 | 110.3 | V17 Y23 F187 W194 | V17-L191 HydrophobicContact CG1-CD2 3.93Å; V17-L191 HydrophobicContact CG2-CD2 4.48Å; Y23-L191 HydrophobicContact CD2-CD2 4.09Å; Y23-L191 HydrophobicContact CG-CD2 4.4Å; F187-L191 HydrophobicContact CB-CB 3.98Å; F187-L191 HydrophobicContact CB-CD2 4.35Å; F187-L191 HydrophobicContact CD1-CB 3.85Å; F187-L191 HydrophobicContact CD1-CD2 3.83Å; F187-L191 HydrophobicContact CD1-CG 4.47Å; F187-L191 HydrophobicContact CE1-CD2 4.36Å; F187-L191 HydrophobicContact CG-CB 4.29Å; F187-L191 HydrophobicContact CG-CD2 4.11Å; F187-L191 PolarHBondContact O-N 2.69Å; L191-W194 HydrophobicContact CD2-CE3 4.25Å; L191-W194 VanDerWaalsContact O-CB 3.26Å; L191-W194 WeakPolarHBondContact O-CB 3.23Å; L191-W194 PolarHBondContact O-N 3.02Å |
| 192 | P | 93.1 | Very high | 93.6 | Very high | 53 Ų | 53 | 31.9 Ų | 31.9 | 34% | 0.344 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 142.2 | 174.2 | -26.2 | 35.1 | 0 | 0 | 0 | 111.8 | V5 G21 Y22 Y23 T190 W194 | V5-P192 HydrophobicContact CG2-CG 4.38Å; G21-P192 WeakPolarHBondContact O-CD 3.48Å; Y22-P192 HydrophobicContact CD2-CB 3.79Å; Y22-P192 HydrophobicContact CE2-CB 4.14Å; Y23-P192 WeakPolarHBondContact CB-O 3.39Å; Y23-P192 PolarHBondContact N-O 2.98Å; T190-P192 WeakPolarHBondContact O-CD 3.38Å; P192-W194 PolarHBondContact O-N 2.87Å |
| 193 | G | 93.7 | Very high | 93.8 | Very high | 17 Ų | 17 | 32.8 Ų | 32.8 | 18% | 0.175 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | -8.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y23 R195 | Y23-G193 WeakPolarHBondContact CD1-O 3.48Å; G193-R195 PolarHBondContact O-N 3.1Å; G193-R195 PolarHBondContact O-NH1 3.1Å |
| 194 | W | 95.1 | Very high | 93.7 | Very high | 39 Ų | 39 | 33 Ų | 33 | 15% | 0.148 | 17% | 0.171 | C | C | . | . | trans | -50 | 132.1 | -175.6 | 176.8 | -103 | 0 | 0 | 0 | 113 | Y23 Y51 F187 L191 P192 L203 | Y23-W194 AromaticContact CD2-CE3 3.54Å; Y23-W194 HydrophobicContact CD2-CE3 3.54Å; Y23-W194 AromaticContact CD2-CZ3 3.86Å; Y23-W194 HydrophobicContact CD2-CZ3 3.86Å; Y23-W194 AromaticContact CE2-CE3 3.65Å; Y23-W194 HydrophobicContact CE2-CE3 3.65Å; Y23-W194 AromaticContact CE2-CZ3 3.61Å; Y23-W194 HydrophobicContact CE2-CZ3 3.61Å; Y23-W194 HydrophobicContact CG-CE3 4.09Å; Y51-W194 WeakPolarHBondContact CD1-O 3.45Å; Y51-W194 AromaticContact CE1-CD1 3.84Å; F187-W194 HydrophobicContact CB-CD2 3.5Å; F187-W194 HydrophobicContact CB-CE3 3.47Å; F187-W194 VanDerWaalsContact CB-CE3 3.47Å; F187-W194 HydrophobicContact CB-CG 4.02Å; F187-W194 HydrophobicContact CB-CH2 4.14Å; F187-W194 HydrophobicContact CB-CZ2 4.18Å; F187-W194 HydrophobicContact CB-CZ3 3.79Å; F187-W194 HydrophobicContact CD2-CE3 4.17Å; F187-W194 AromaticContact CD2-CH2 3.75Å; F187-W194 HydrophobicContact CD2-CH2 3.75Å; F187-W194 HydrophobicContact CD2-CZ2 4.43Å; F187-W194 AromaticContact CD2-CZ3 3.6Å; F187-W194 HydrophobicContact CD2-CZ3 3.6Å; F187-W194 HydrophobicContact CG-CE3 4.06Å; F187-W194 HydrophobicContact CG-CH2 4.38Å; F187-W194 AromaticContact CG-CZ3 3.97Å; F187-W194 HydrophobicContact CG-CZ3 3.97Å; F187-W194 WeakPolarHBondContact O-CB 3.43Å; L191-W194 HydrophobicContact CD2-CE3 4.25Å; L191-W194 VanDerWaalsContact O-CB 3.26Å; L191-W194 WeakPolarHBondContact O-CB 3.23Å; L191-W194 PolarHBondContact O-N 3.02Å; P192-W194 PolarHBondContact O-N 2.87Å; W194-L203 HydrophobicContact CH2-CD1 4.02Å; W194-L203 HydrophobicContact CH2-CG 3.92Å; W194-L203 HydrophobicContact CZ3-CD1 3.75Å; W194-L203 HydrophobicContact CZ3-CG 3.75Å | ||
| 195 | R | 95.4 | Very high | 93.5 | Very high | 47 Ų | 47 | 33.7 Ų | 33.7 | 18% | 0.177 | 18% | 0.181 | C | C | . | . | trans | -123.2 | 124.1 | 172.3 | -64.1 | -60.9 | -178.6 | -103.2 | 1.6 | 109.7 | Y23 P25 A46 S49 G193 G201 G202 | Y23-R195 HydrophobicContact CE1-CB 3.99Å; Y23-R195 HydrophobicContact CE1-CG 4.4Å; P25-R195 HydrophobicContact CG-CG 4.37Å; A46-R195 HydrophobicContact CB-CB 4.39Å; A46-R195 HydrophobicContact CB-CG 4.37Å; S49-R195 VanDerWaalsContact O-CZ 3.25Å; S49-R195 PolarHBondContact O-NE 3.06Å; S49-R195 PolarHBondContact O-NH2 3.29Å; S49-R195 WeakPolarHBondContact OG-CD 3.5Å; S49-R195 PolarHBondContact OG-NE 2.97Å; G193-R195 PolarHBondContact O-N 3.1Å; G193-R195 PolarHBondContact O-NH1 3.1Å; R195-G201 CarbonylContact O-C 3.51Å; R195-G201 WeakPolarHBondContact O-CA 3.34Å; R195-G202 PolarHBondContact O-N 3.44Å | ||
| 196 | P | 94.5 | Very high | 93.2 | Very high | 13 Ų | 13 | 40.8 Ų | 40.8 | 8% | 0.084 | 21% | 0.205 | C | C | . | . | trans | -68.4 | 162 | 175.6 | 29.9 | -36.6 | 0 | 0 | 0 | 111.5 | Y51 R198 L199 G201 | Y51-P196 HydrophobicContact CD2-CG 3.8Å; Y51-P196 HydrophobicContact CE2-CG 3.93Å; Y51-P196 HydrophobicContact CG-CG 4.17Å; P196-R198 VanDerWaalsContact C-N 3.28Å; P196-R198 HydrophobicContact CB-CG 4.44Å; P196-R198 HydrophobicContact CG-CG 4.17Å; P196-R198 PolarHBondContact O-N 3.17Å; P196-R198 VanDerWaalsContact O-N 3.17Å; P196-L199 HydrophobicContact CG-CD1 4.06Å; P196-L199 HydrophobicContact CG-CG 4.13Å; P196-L199 PolarHBondContact O-N 3.36Å; P196-G201 PolarHBondContact O-N 2.8Å | ||
| 197 | R | 94 | Very high | 92.8 | Very high | 80 Ų | 80 | 47.6 Ų | 47.6 | 30% | 0.302 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -54.3 | -39.3 | -175.6 | -172.3 | 57.8 | 173.4 | -151.4 | -10.3 | 114.6 | L199 G200 G201 Q211 | R197-L199 PolarHBondContact O-N 2.67Å; R197-G200 WeakPolarHBondContact O-CA 3.39Å; R197-G200 PolarHBondContact O-N 3.45Å; R197-G201 WeakPolarHBondContact CD-O 3.12Å; R197-Q211 VanDerWaalsContact CZ-OE1 3.25Å; R197-Q211 PolarHBondContact NH1-O 2.86Å; R197-Q211 VanDerWaalsContact NH2-CG 3.35Å; R197-Q211 PolarHBondContact NH2-O 3.49Å |
| 198 | R | 93.4 | Very high | 92.5 | Very high | 178 Ų | 178 | 54.9 Ų | 54.9 | 67% | 0.672 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -60.2 | -27 | 178.2 | 66 | 179.8 | 177.2 | -99.4 | 0.1 | 113.9 | P196 G200 | P196-R198 VanDerWaalsContact C-N 3.28Å; P196-R198 HydrophobicContact CB-CG 4.44Å; P196-R198 HydrophobicContact CG-CG 4.17Å; P196-R198 PolarHBondContact O-N 3.17Å; P196-R198 VanDerWaalsContact O-N 3.17Å; R198-G200 VanDerWaalsContact C-N 3.32Å |
| 199 | L | 94.9 | Very high | 92.3 | Very high | 43 Ų | 43 | 57.6 Ų | 57.6 | 23% | 0.225 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -91.8 | 4.9 | 175.9 | -60.6 | -177.9 | 0 | 0 | 0 | 112.3 | R45 A46 Y51 P196 R197 | R45-L199 CarbonylContact C-O 3.46Å; A46-L199 WeakPolarHBondContact CA-O 3.37Å; A46-L199 PolarHBondContact N-O 3.23Å; A46-L199 VanDerWaalsContact N-O 3.15Å; Y51-L199 HydrophobicContact CD2-CD1 4.27Å; P196-L199 HydrophobicContact CG-CD1 4.06Å; P196-L199 HydrophobicContact CG-CG 4.13Å; P196-L199 PolarHBondContact O-N 3.36Å; R197-L199 PolarHBondContact O-N 2.67Å |
| 200 | G | 94.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 97.9 | -7.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | A42 R197 R198 Q211 R213 | A42-G200 VanDerWaalsContact O-CA 3.29Å; A42-G200 WeakPolarHBondContact O-CA 3.1Å; R197-G200 WeakPolarHBondContact O-CA 3.39Å; R197-G200 PolarHBondContact O-N 3.45Å; R198-G200 VanDerWaalsContact C-N 3.32Å; G200-Q211 PolarHBondContact O-NE2 3.28Å; G200-Q211 VanDerWaalsContact O-NE2 3.1Å; G200-R213 PolarHBondContact O-NE 2.9Å; G200-R213 VanDerWaalsContact O-NE 3.1Å; G200-R213 PolarHBondContact O-NH2 2.82Å |
| 201 | G | 95.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | trans | -84.4 | -129.8 | 172 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y23 R195 P196 R197 | Y23-G201 VanDerWaalsContact OH-C 3.22Å; Y23-G201 WeakPolarHBondContact OH-CA 3.37Å; R195-G201 CarbonylContact O-C 3.51Å; R195-G201 WeakPolarHBondContact O-CA 3.34Å; P196-G201 PolarHBondContact O-N 2.8Å; R197-G201 WeakPolarHBondContact CD-O 3.12Å | ||
| 202 | G | 95.2 | Very high | 92 | Very high | 4 Ų | 4 | 59.7 Ų | 59.7 | 4% | 0.041 | 31% | 0.306 | C | S | . | . | trans | 77.9 | -171.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y23 R195 R213 | Y23-G202 PolarHBondContact OH-N 3.38Å; Y23-G202 PolarHBondContact OH-O 2.84Å; R195-G202 PolarHBondContact O-N 3.44Å; G202-R213 WeakPolarHBondContact O-CB 3.42Å | ||
| 203 | L | 94.9 | Very high | 92.2 | Very high | 41 Ų | 41 | 57.1 Ų | 57.1 | 22% | 0.215 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -133.8 | 153.8 | 176.8 | -64.4 | 171.3 | 0 | 0 | 0 | 109.7 | V17 Y23 V28 F187 W194 F214 | V17-L203 HydrophobicContact CG1-CD1 3.92Å; V17-L203 HydrophobicContact CG1-CD2 4.02Å; Y23-L203 HydrophobicContact CE2-CD2 4.01Å; Y23-L203 HydrophobicContact CE2-CG 4.44Å; V28-L203 HydrophobicContact CB-CD2 4.38Å; V28-L203 HydrophobicContact CG1-CD2 4.03Å; F187-L203 HydrophobicContact CD2-CD1 3.85Å; F187-L203 HydrophobicContact CE2-CD1 3.46Å; F187-L203 VanDerWaalsContact CE2-CD1 3.46Å; F187-L203 HydrophobicContact CZ-CD1 4.32Å; W194-L203 HydrophobicContact CH2-CD1 4.02Å; W194-L203 HydrophobicContact CH2-CG 3.92Å; W194-L203 HydrophobicContact CZ3-CD1 3.75Å; W194-L203 HydrophobicContact CZ3-CG 3.75Å; L203-F214 WeakPolarHBondContact CD2-O 3.4Å |
| 204 | G | 92.6 | Very high | 92.2 | Very high | 3 Ų | 3 | 57.2 Ų | 57.2 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | 73.2 | -144.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R213 | G204-R213 CarbonylContact C-O 3.46Å; G204-R213 WeakPolarHBondContact CA-O 3.19Å; G204-R213 PolarHBondContact N-O 3.07Å; G204-R213 PolarHBondContact O-N 3.35Å |
| 205 | G | 89.6 | Confident | 92.1 | Very high | 23 Ų | 23 | 55.4 Ų | 55.4 | 24% | 0.237 | 28% | 0.278 | C | S | . | . | trans | 112.3 | 163.1 | -173 | 0 | 0 | 0 | 0 | 0 | 112.7 | L212 R219 | G205-L212 WeakPolarHBondContact O-CD2 3.47Å; G205-R219 PolarHBondContact O-NH1 3.26Å | ||
| 206 | R | 87.5 | Confident | 91.9 | Very high | 172 Ų | 172 | 53.3 Ų | 53.3 | 65% | 0.649 | 27% | 0.271 | S | S | * | . | trans | -98 | 145.9 | 174.8 | -64.5 | -174.3 | -176.7 | 173.4 | 2.2 | 109.5 | E208 A209 L212 | R206-E208 PolarHBondContact O-N 3.24Å; R206-A209 PolarHBondContact O-N 3.36Å; R206-A209 VanDerWaalsContact O-N 3.14Å; R206-L212 VanDerWaalsContact C-CD2 3.46Å; R206-L212 WeakPolarHBondContact O-CD2 3.38Å | ||
| 207 | K | 85.5 | Confident | 91.6 | Very high | 168 Ų | 168 | 53 Ų | 53 | 73% | 0.73 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -61.8 | -37.8 | -179.1 | -173.8 | -179.4 | 176.5 | -174.4 | 0 | 110.4 | A209 G210 L212 | K207-A209 PolarHBondContact O-N 3.21Å; K207-G210 PolarHBondContact O-N 2.96Å; K207-L212 HydrophobicContact CB-CD1 4.35Å; K207-L212 HydrophobicContact CG-CD1 4.42Å |
| 208 | E | 88.8 | Confident | 91.3 | Very high | 165 Ų | 165 | 50.6 Ų | 50.6 | 77% | 0.771 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -60.6 | -26.6 | 177.7 | -52.9 | 114.7 | -125.8 | 0 | 0 | 113.7 | R206 G210 | R206-E208 PolarHBondContact O-N 3.24Å; E208-G210 PolarHBondContact O-N 3.48Å |
| 209 | A | 87.3 | Confident | 91.1 | Very high | 69 Ų | 69 | 45.6 Ų | 45.6 | 57% | 0.57 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -81.1 | -1.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R206 K207 Q211 | R206-A209 PolarHBondContact O-N 3.36Å; R206-A209 VanDerWaalsContact O-N 3.14Å; K207-A209 PolarHBondContact O-N 3.21Å; A209-Q211 PolarHBondContact O-N 2.89Å; A209-Q211 VanDerWaalsContact O-N 3.07Å |
| 210 | G | 86.4 | Confident | 91 | Very high | 68 Ų | 68 | 44.9 Ų | 44.9 | 70% | 0.701 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | 3.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | K207 E208 | K207-G210 PolarHBondContact O-N 2.96Å; E208-G210 PolarHBondContact O-N 3.48Å |
| 211 | Q | 88.3 | Confident | 90.9 | Very high | 34 Ų | 34 | 45.2 Ų | 45.2 | 16% | 0.159 | 25% | 0.246 | C | C | . | . | trans | -134.1 | 106 | 179.4 | -173.8 | -167.3 | 2.9 | 0 | 0 | 108.7 | A42 R197 G200 A209 | A42-Q211 HydrophobicContact CB-CG 4.31Å; R197-Q211 VanDerWaalsContact CZ-OE1 3.25Å; R197-Q211 PolarHBondContact NH1-O 2.86Å; R197-Q211 VanDerWaalsContact NH2-CG 3.35Å; R197-Q211 PolarHBondContact NH2-O 3.49Å; G200-Q211 PolarHBondContact O-NE2 3.28Å; G200-Q211 VanDerWaalsContact O-NE2 3.1Å; A209-Q211 PolarHBondContact O-N 2.89Å; A209-Q211 VanDerWaalsContact O-N 3.07Å | ||
| 212 | L | 92.8 | Very high | 90.7 | Very high | 36 Ų | 36 | 53.4 Ų | 53.4 | 19% | 0.188 | 28% | 0.277 | C | S | . | . | trans | -111.6 | 140.4 | 177.9 | -68.2 | -174.8 | 0 | 0 | 0 | 110.6 | G205 R206 K207 F214 | G205-L212 WeakPolarHBondContact O-CD2 3.47Å; R206-L212 VanDerWaalsContact C-CD2 3.46Å; R206-L212 WeakPolarHBondContact O-CD2 3.38Å; K207-L212 HydrophobicContact CB-CD1 4.35Å; K207-L212 HydrophobicContact CG-CD1 4.42Å; L212-F214 HydrophobicContact CB-CE2 4.11Å; L212-F214 HydrophobicContact CB-CZ 4.24Å; L212-F214 HydrophobicContact CD1-CZ 4.32Å | ||
| 213 | R | 95.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | B | Isolated β-bridge | trans | -134.2 | 141.3 | 172.6 | -56.9 | -67.4 | 174.1 | -113.9 | 4.1 | 109.2 | V28 D40 I43 G200 G202 G204 | V28-R213 CarbonylContact O-C 3.39Å; V28-R213 WeakPolarHBondContact O-CA 3.45Å; D40-R213 IonicContact OD1-CZ 3.48Å; D40-R213 IonicContact OD1-NH2 2.94Å; D40-R213 PolarHBondContact OD1-NH2 3.33Å; D40-R213 IonicContact OD2-CZ 3.18Å; D40-R213 VanDerWaalsContact OD2-CZ 3.23Å; D40-R213 IonicContact OD2-NH1 3.63Å; D40-R213 PolarHBondContact OD2-NH1 3.01Å; D40-R213 IonicContact OD2-NH2 3.66Å; D40-R213 PolarHBondContact OD2-NH2 3.38Å; I43-R213 VanDerWaalsContact CG1-CZ 3.47Å; I43-R213 VanDerWaalsContact CG1-NH2 3.31Å; G200-R213 PolarHBondContact O-NE 2.9Å; G200-R213 VanDerWaalsContact O-NE 3.1Å; G200-R213 PolarHBondContact O-NH2 2.82Å; G202-R213 WeakPolarHBondContact O-CB 3.42Å; G204-R213 CarbonylContact C-O 3.46Å; G204-R213 WeakPolarHBondContact CA-O 3.19Å; G204-R213 PolarHBondContact N-O 3.07Å; G204-R213 PolarHBondContact O-N 3.35Å |
| 214 | F | 94.2 | Very high | 89.8 | Confident | 19 Ų | 19 | 61.8 Ų | 61.8 | 8% | 0.083 | 31% | 0.31 | C | S | . | . | trans | -117.2 | 174.9 | -174.6 | -58 | -89.3 | 0 | 0 | 0 | 110.7 | V28 G29 S30 I31 L203 L212 R219 F221 | V28-F214 PolarHBondContact O-N 3.17Å; G29-F214 WeakPolarHBondContact O-CD2 3.43Å; G29-F214 WeakPolarHBondContact O-CE2 3.48Å; S30-F214 VanDerWaalsContact C-CD2 3.47Å; S30-F214 WeakPolarHBondContact O-CB 3.33Å; S30-F214 WeakPolarHBondContact O-CD2 3.42Å; S30-F214 WeakPolarHBondContact O-CG 3.31Å; I31-F214 HydrophobicContact CB-CD1 4.48Å; I31-F214 HydrophobicContact CB-CD2 4.45Å; I31-F214 HydrophobicContact CB-CE1 4.12Å; I31-F214 HydrophobicContact CB-CE2 4.06Å; I31-F214 HydrophobicContact CB-CZ 3.89Å; I31-F214 HydrophobicContact CD1-CE1 4.18Å; I31-F214 HydrophobicContact CD1-CZ 4.3Å; I31-F214 HydrophobicContact CG1-CD1 4.11Å; I31-F214 HydrophobicContact CG1-CE1 3.68Å; I31-F214 HydrophobicContact CG1-CZ 3.91Å; L203-F214 WeakPolarHBondContact CD2-O 3.4Å; L212-F214 HydrophobicContact CB-CE2 4.11Å; L212-F214 HydrophobicContact CB-CZ 4.24Å; L212-F214 HydrophobicContact CD1-CZ 4.32Å; F214-R219 CarbonylContact C-O 2.89Å; F214-R219 VanDerWaalsContact CA-O 3.25Å; F214-R219 WeakPolarHBondContact CA-O 3.39Å; F214-R219 HydrophobicContact CD1-CB 4.04Å; F214-F221 HydrophobicContact CB-CD1 3.57Å; F214-F221 HydrophobicContact CB-CE1 3.65Å | ||
| 215 | G | 92.4 | Very high | 89.2 | Confident | 1 Ų | 1 | 70.9 Ų | 70.9 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | S | Bend | trans | 83.5 | 7.9 | -176 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y16 V17 R219 F221 | Y16-G215 CarbonylContact C-O 3.6Å; Y16-G215 WeakPolarHBondContact CA-O 3.47Å; V17-G215 WeakPolarHBondContact CG1-O 3.35Å; V17-G215 PolarHBondContact N-O 2.88Å; G215-R219 PolarHBondContact N-O 2.82Å; G215-F221 VanDerWaalsContact CA-CE2 3.47Å |
| 216 | G | 92 | Very high | 88.1 | Confident | 2 Ų | 2 | 74.1 Ų | 74.1 | 2% | 0.021 | 37% | 0.368 | C | S | . | . | B | Isolated β-bridge | trans | -105 | 165.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A218 R219 P220 | G216-A218 PolarHBondContact O-N 3.43Å; G216-R219 PolarHBondContact N-O 3.24Å; G216-R219 CarbonylContact O-C 3.57Å; G216-R219 PolarHBondContact O-N 3.15Å; G216-R219 VanDerWaalsContact O-O 3.08Å; G216-P220 WeakPolarHBondContact O-CA 3.18Å |
| 217 | I | 89 | Confident | 86.9 | Confident | 7 Ų | 7 | 72.2 Ų | 72.2 | 4% | 0.036 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -39.7 | 177.5 | -79.8 | 169.6 | 0 | 0 | 0 | 111.7 | Y16 H170 L183 E184 R219 | Y16-I217 HydrophobicContact CD1-CG1 4.49Å; Y16-I217 HydrophobicContact CE1-CG1 4.15Å; H170-I217 WeakPolarHBondContact CE1-CG2 3.41Å; H170-I217 PolarHBondContact CE1-O 3.31Å; H170-I217 PolarHBondContact NE2-O 3.02Å; L183-I217 WeakPolarHBondContact O-CD1 3.49Å; E184-I217 HydrophobicContact CG-CB 4.41Å; E184-I217 HydrophobicContact CG-CD1 3.96Å; E184-I217 HydrophobicContact CG-CG1 4.43Å; E184-I217 VanDerWaalsContact OE1-CB 3.24Å; E184-I217 WeakPolarHBondContact OE1-CB 3.4Å; E184-I217 WeakPolarHBondContact OE1-CG1 3.39Å; E184-I217 PolarHBondContact OE1-N 3.29Å; E184-I217 WeakPolarHBondContact OE2-CD1 3.31Å; I217-R219 VanDerWaalsContact C-N 3.32Å; I217-R219 PolarHBondContact O-N 2.68Å |
| 218 | A | 87.2 | Confident | 85.3 | Confident | 29 Ų | 29 | 71.5 Ų | 71.5 | 24% | 0.24 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -24.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | I182 G216 | I182-A218 HydrophobicContact CG2-CB 4.35Å; G216-A218 PolarHBondContact O-N 3.43Å |
| 219 | R | 90.1 | Very high | 83.2 | Confident | 74 Ų | 74 | 68.6 Ų | 68.6 | 28% | 0.279 | 37% | 0.369 | S | S | . | . | B | Isolated β-bridge | trans | -151.5 | 81.1 | -179.5 | -64.3 | -164.8 | 99.2 | 128.7 | 1.8 | 107.7 | G205 F214 G215 G216 I217 | G205-R219 PolarHBondContact O-NH1 3.26Å; F214-R219 CarbonylContact C-O 2.89Å; F214-R219 VanDerWaalsContact CA-O 3.25Å; F214-R219 WeakPolarHBondContact CA-O 3.39Å; F214-R219 HydrophobicContact CD1-CB 4.04Å; G215-R219 PolarHBondContact N-O 2.82Å; G216-R219 PolarHBondContact N-O 3.24Å; G216-R219 CarbonylContact O-C 3.57Å; G216-R219 PolarHBondContact O-N 3.15Å; G216-R219 VanDerWaalsContact O-O 3.08Å; I217-R219 VanDerWaalsContact C-N 3.32Å; I217-R219 PolarHBondContact O-N 2.68Å |
| 220 | P | 92.3 | Very high | 81.5 | Confident | 28 Ų | 28 | 69.5 Ų | 69.5 | 18% | 0.182 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 160.1 | 175.8 | 25.9 | -32.8 | 0 | 0 | 0 | 109.6 | P15 Y16 G216 | P15-P220 HydrophobicContact CB-CB 3.97Å; P15-P220 CarbonylContact O-C 3.52Å; P15-P220 WeakPolarHBondContact O-CA 3.27Å; P15-P220 WeakPolarHBondContact O-CB 3.48Å; Y16-P220 HydrophobicContact CD1-CB 4.31Å; Y16-P220 HydrophobicContact CE1-CB 3.98Å; G216-P220 WeakPolarHBondContact O-CA 3.18Å |
| 221 | F | 92.3 | Very high | 79.9 | Confident | 6 Ų | 6 | 69.1 Ų | 69.1 | 3% | 0.026 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 145.9 | 165.8 | -67.4 | -59.1 | 0 | 0 | 0 | 109.4 | W13 P15 V17 Y20 T27 V28 S30 I31 F214 G215 | W13-F221 HydrophobicContact CZ2-CB 4.35Å; W13-F221 WeakPolarHBondContact CZ2-O 3.25Å; P15-F221 PolarHBondContact O-N 3.35Å; V17-F221 HydrophobicContact CB-CE2 4.24Å; Y20-F221 HydrophobicContact CD2-CE2 4.46Å; Y20-F221 HydrophobicContact CE2-CD2 4.02Å; Y20-F221 AromaticContact CE2-CE2 3.92Å; Y20-F221 HydrophobicContact CE2-CE2 3.92Å; T27-F221 VanDerWaalsContact O-CE1 3.31Å; T27-F221 WeakPolarHBondContact O-CE1 2.84Å; V28-F221 HydrophobicContact CG1-CZ 4.16Å; S30-F221 WeakPolarHBondContact O-CE1 3.22Å; I31-F221 CarbonylContact O-C 3.5Å; I31-F221 VanDerWaalsContact O-CA 3.31Å; I31-F221 WeakPolarHBondContact O-CA 3.49Å; F214-F221 HydrophobicContact CB-CD1 3.57Å; F214-F221 HydrophobicContact CB-CE1 3.65Å; G215-F221 VanDerWaalsContact CA-CE2 3.47Å |
| 222 | R | 90.4 | Very high | 78.2 | Confident | 172 Ų | 172 | 73.3 Ų | 73.3 | 65% | 0.649 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -84.7 | 151.7 | 165.5 | -68.7 | -168.8 | 177.9 | 178.4 | -4.1 | 109.1 | W13 I31 D32 P224 | W13-R222 VanDerWaalsContact CZ2-C 3.47Å; W13-R222 PolarHBondContact NE1-O 3.01Å; I31-R222 HydrophobicContact CD1-CG 4.22Å; I31-R222 HydrophobicContact CG1-CB 4.24Å; I31-R222 HydrophobicContact CG1-CG 3.88Å; I31-R222 PolarHBondContact O-N 3.42Å; D32-R222 VanDerWaalsContact CA-O 3.24Å; D32-R222 WeakPolarHBondContact CA-O 3.29Å; D32-R222 VanDerWaalsContact CB-O 3.23Å; D32-R222 WeakPolarHBondContact CB-O 3.48Å; R222-P224 WeakPolarHBondContact O-CD 3.17Å |
| 223 | R | 87.1 | Confident | 76 | Confident | 180 Ų | 180 | 79.1 Ų | 79.1 | 68% | 0.679 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -68.5 | 128.5 | 174.8 | -167 | 177.1 | -175.7 | -139.3 | 1.1 | 109 | W13 | W13-R223 HydrophobicContact CD2-CB 4.42Å; W13-R223 HydrophobicContact CD2-CG 4.24Å; W13-R223 HydrophobicContact CE3-CG 4.42Å; W13-R223 HydrophobicContact CH2-CB 4.28Å; W13-R223 HydrophobicContact CZ2-CB 4.04Å |
| 224 | P | 85.1 | Confident | 73.9 | Confident | 41 Ų | 41 | 85.9 Ų | 85.9 | 27% | 0.266 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 145.8 | 174.2 | -24.5 | 30.6 | 0 | 0 | 0 | 111 | D32 T34 R222 S226 | D32-P224 HydrophobicContact CB-CG 4.07Å; T34-P224 HydrophobicContact CG2-CB 4.27Å; T34-P224 HydrophobicContact CG2-CG 3.84Å; R222-P224 WeakPolarHBondContact O-CD 3.17Å; P224-S226 PolarHBondContact O-N 2.9Å |
| 225 | F | 79.6 | Confident | 72 | Confident | 194 Ų | 194 | 92.3 Ų | 92.3 | 85% | 0.851 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 119.6 | 173.3 | -62.4 | -78.7 | 0 | 0 | 0 | 109.4 | V227 | F225-V227 PolarHBondContact O-N 3.23Š|
| 226 | S | 66.3 | Low | 70.2 | Confident | 91 Ų | 91 | 100.7 Ų | 100.7 | 64% | 0.636 | 51% | 0.51 | S | S | * | . | trans | -71.1 | 111.7 | 169.1 | -57.3 | 0 | 0 | 0 | 0 | 108.8 | P224 N228 | P224-S226 PolarHBondContact O-N 2.9Å; S226-N228 PolarHBondContact O-N 3.49Å | ||
| 227 | V | 61.8 | Low | 68.3 | Low | 133 Ų | 133 | 104.6 Ų | 104.6 | 81% | 0.806 | 53% | 0.533 | S | S | * | . | trans | -77.1 | 22.8 | -178 | -149.2 | 0 | 0 | 0 | 0 | 113 | F225 N229 | F225-V227 PolarHBondContact O-N 3.23Å; V227-N229 PolarHBondContact O-N 2.97Å; V227-N229 VanDerWaalsContact O-N 3.09Å | ||
| 228 | N | 52.4 | Low | 66.7 | Low | 153 Ų | 153 | 112.4 Ų | 112.4 | 82% | 0.818 | 57% | 0.567 | S | S | * | * | trans | -86.1 | 36 | -179.8 | -75.1 | 4.5 | 0 | 0 | 0 | 113.2 | S226 | S226-N228 PolarHBondContact O-N 3.49Š| ||
| 229 | N | 45.9 | Very low | 65.2 | Low | 104 Ų | 104 | 120.2 Ų | 120.2 | 56% | 0.556 | 60% | 0.596 | S | S | * | * | trans | -107.8 | 91 | 173.9 | -86.7 | -1.7 | 0 | 0 | 0 | 109.2 | V227 S231 L232 | V227-N229 PolarHBondContact O-N 2.97Å; V227-N229 VanDerWaalsContact O-N 3.09Å; N229-S231 WeakPolarHBondContact CB-OG 3.43Å; N229-S231 PolarHBondContact O-N 3.24Å; N229-L232 PolarHBondContact O-N 3.26Å | ||
| 230 | A | 50.4 | Low | 63.7 | Low | 87 Ų | 87 | 125.1 Ų | 125.1 | 72% | 0.719 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -46.4 | -23.4 | 158.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L232 M233 | A230-L232 VanDerWaalsContact C-N 3.34Å; A230-L232 PolarHBondContact O-N 3.1Å; A230-M233 PolarHBondContact O-N 2.87Å |
| 231 | S | 53.5 | Low | 61.7 | Low | 60 Ų | 60 | 133 Ų | 133 | 42% | 0.42 | 65% | 0.648 | S | S | . | * | G | 310 helix | trans | -70.1 | -14 | 177 | 60.1 | 0 | 0 | 0 | 0 | 116.2 | N229 | N229-S231 WeakPolarHBondContact CB-OG 3.43Å; N229-S231 PolarHBondContact O-N 3.24Å |
| 232 | L | 52.6 | Low | 60.1 | Low | 123 Ų | 123 | 144.4 Ų | 144.4 | 64% | 0.644 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -86.9 | -22.4 | 175.8 | -138.9 | 78.8 | 0 | 0 | 0 | 113.1 | N229 A230 | N229-L232 PolarHBondContact O-N 3.26Å; A230-L232 VanDerWaalsContact C-N 3.34Å; A230-L232 PolarHBondContact O-N 3.1Å |
| 233 | M | 46.8 | Very low | 58.5 | Low | 157 Ų | 157 | 143 Ų | 143 | 77% | 0.773 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -77.8 | -37.2 | 176.4 | -71.8 | -162.7 | 158.3 | 0 | 0 | 112.2 | A230 K235 K236 | A230-M233 PolarHBondContact O-N 2.87Å; M233-K235 VanDerWaalsContact C-N 3.26Å; M233-K235 PolarHBondContact O-N 3.25Å; M233-K236 PolarHBondContact O-N 2.98Å |
| 234 | E | 51.8 | Low | 57 | Low | 143 Ų | 143 | 141.1 Ų | 141.1 | 67% | 0.668 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -63.8 | -27.5 | 176.7 | -89.8 | -175.6 | 151.9 | 0 | 0 | 114.1 | T237 | E234-T237 PolarHBondContact O-OG1 2.96Å; E234-T237 VanDerWaalsContact O-OG1 3.12Å |
| 235 | K | 53.4 | Low | 55.5 | Low | 154 Ų | 154 | 146.6 Ų | 146.6 | 67% | 0.67 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -76.7 | -23 | 178.4 | -73.9 | -176.2 | 178.4 | -180 | 0 | 113.2 | M233 | M233-K235 VanDerWaalsContact C-N 3.26Å; M233-K235 PolarHBondContact O-N 3.25Å |
| 236 | K | 53.6 | Low | 54.1 | Low | 176 Ų | 176 | 143.8 Ų | 143.8 | 77% | 0.765 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -79.1 | -25.8 | 175.9 | -77.3 | -172 | 173.9 | -176.5 | 0 | 112.9 | M233 | M233-K236 PolarHBondContact O-N 2.98Å |
| 237 | T | 53.5 | Low | 53.3 | Low | 84 Ų | 84 | 147.1 Ų | 147.1 | 52% | 0.515 | 74% | 0.738 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.7 | -6.1 | -178.7 | 52.2 | 0 | 0 | 0 | 0 | 114.5 | E234 | E234-T237 PolarHBondContact O-OG1 2.96Å; E234-T237 VanDerWaalsContact O-OG1 3.12Å |
| 238 | K | 55.1 | Low | 52.8 | Low | 172 Ų | 172 | 148.1 Ų | 148.1 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -10.4 | 177.1 | -83.7 | -173.6 | 175.7 | 179.8 | 0 | 114.7 | ||
| 239 | F | 56.7 | Low | 52.8 | Low | 192 Ų | 192 | 147.7 Ų | 147.7 | 84% | 0.842 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -101 | 19.2 | 179.3 | -84.4 | -80.8 | 0 | 0 | 0 | 113.9 | ||
| 240 | H | 57 | Low | 53.3 | Low | 178 Ų | 178 | 151.1 Ų | 151.1 | 82% | 0.824 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -132.3 | 26.6 | 179.6 | -123.4 | 47.9 | 0 | 0 | 0 | 113.9 | ||
| 241 | R | 51.6 | Low | 53.6 | Low | 194 Ų | 194 | 156.4 Ų | 156.4 | 73% | 0.732 | 74% | 0.742 | S | S | * | * | trans | -131.3 | 87.8 | 169.6 | -78 | -174.5 | -91.1 | -172.4 | -7.5 | 107.1 | ||||
| 242 | D | 57.2 | Low | 53.6 | Low | 244 Ų | 244 | 165.2 Ų | 165.2 | 100% | 1.305 | 77% | 0.772 | S | S | * | * | trans | -178.5 | 0 | 143.4 | -79.9 | -20.8 | 0 | 0 | 0 | 108.4 |
Retrieved 242 of 242 residues in 265.5 ms
(Link to these results)