| 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 | 33.7 | Very low | 67.2 | Low | 239 Ų | 239 | 89.5 Ų | 89.5 | 100% | 1.177 | 56% | 0.56 | S | S | * | * | 0 | 116 | 0 | -61.2 | -177.8 | -158.3 | 0 | 0 | 106.2 | G3 | M1-G3 PolarHBondContact O-N 3.31Š| |||
| 2 | M | 31.8 | Very low | 69.6 | Low | 193 Ų | 193 | 83.1 Ų | 83.1 | 95% | 0.951 | 52% | 0.518 | S | S | * | . | trans | -62.6 | 111.1 | 166.9 | -74.9 | -173.4 | -175.8 | 0 | 0 | 105.5 | T4 | M2-T4 PolarHBondContact O-N 3.11Š| ||
| 3 | G | 37.9 | Very low | 71.7 | Confident | 72 Ų | 72 | 82.8 Ų | 82.8 | 74% | 0.742 | 52% | 0.515 | S | S | * | . | trans | -57.8 | 115 | 174.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | M1 S5 | M1-G3 PolarHBondContact O-N 3.31Å; G3-S5 PolarHBondContact O-N 3.16Å | ||
| 4 | T | 48.6 | Very low | 73.4 | Confident | 128 Ų | 128 | 79.1 Ų | 79.1 | 79% | 0.785 | 49% | 0.492 | S | S | * | . | trans | -55.2 | 111.9 | 169.1 | 47.9 | 0 | 0 | 0 | 0 | 105.8 | M2 G6 | M2-T4 PolarHBondContact O-N 3.11Å; T4-G6 PolarHBondContact O-N 3.19Å; T4-G6 VanDerWaalsContact O-N 3.12Å | ||
| 5 | S | 63.8 | Low | 74.7 | Confident | 108 Ų | 108 | 77.1 Ų | 77.1 | 76% | 0.755 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -51.5 | 123.5 | 172.6 | 49.1 | 0 | 0 | 0 | 0 | 107.1 | G3 | G3-S5 PolarHBondContact O-N 3.16Š|
| 6 | G | 73.9 | Confident | 75.8 | Confident | 37 Ų | 37 | 77.9 Ų | 77.9 | 38% | 0.381 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 168.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | T4 C8 | T4-G6 PolarHBondContact O-N 3.19Å; T4-G6 VanDerWaalsContact O-N 3.12Å; G6-C8 PolarHBondContact O-N 3.41Å |
| 7 | P | 83.5 | Confident | 76.6 | Confident | 15 Ų | 15 | 74.9 Ų | 74.9 | 10% | 0.097 | 45% | 0.446 | C | S | . | . | P | Polyproline II helix | trans | -55.6 | 132.4 | 176.7 | 24.9 | -32.4 | 0 | 0 | 0 | 110.1 | Y82 S83 M84 I368 | P7-Y82 HydrophobicContact CB-CD1 3.79Å; P7-Y82 HydrophobicContact CB-CG 4.25Å; P7-Y82 HydrophobicContact CG-CD1 4.36Å; P7-S83 WeakPolarHBondContact CG-O 3.38Å; P7-M84 HydrophobicContact CB-CG 3.7Å; P7-M84 HydrophobicContact CB-SD 3.94Å; P7-M84 HydrophobicContact CG-CG 3.63Å; P7-M84 WeakPolarHBondContact O-CG 3.31Å; P7-I368 HydrophobicContact CG-CG1 4.27Å |
| 8 | C | 88.7 | Confident | 77.1 | Confident | 40 Ų | 40 | 72.6 Ų | 72.6 | 27% | 0.27 | 43% | 0.43 | S | S | . | . | trans | -118 | 141.2 | -177.2 | -176.7 | 0 | 0 | 0 | 0 | 110.5 | G6 S10 D11 F12 | G6-C8 PolarHBondContact O-N 3.41Å; C8-S10 PolarHBondContact O-N 3.01Å; C8-S10 VanDerWaalsContact O-N 3.09Å; C8-S10 PolarHBondContact SG-OG 3.24Å; C8-D11 PolarHBondContact N-OD2 2.88Å; C8-D11 WeakPolarHBondContact O-CB 3.46Å; C8-D11 PolarHBondContact O-N 2.84Å; C8-F12 WeakPolarHBondContact O-CD2 3.44Å | ||
| 9 | P | 90.9 | Very high | 77.4 | Confident | 28 Ų | 28 | 69.8 Ų | 69.8 | 18% | 0.182 | 42% | 0.419 | C | S | . | . | G | 310 helix | trans | -50.6 | -32.9 | 172 | -32 | 38.4 | 0 | 0 | 0 | 114.7 | D11 F12 M84 E86 F318 | P9-D11 PolarHBondContact O-N 2.66Å; P9-F12 PolarHBondContact O-N 2.87Å; P9-M84 HydrophobicContact CG-SD 4.5Å; P9-E86 WeakPolarHBondContact CD-OE2 3.41Å; P9-E86 WeakPolarHBondContact CG-OE2 3.43Å; P9-F318 HydrophobicContact CB-CB 3.94Å; P9-F318 HydrophobicContact CB-CD1 3.71Å; P9-F318 HydrophobicContact CB-CD2 4.09Å; P9-F318 HydrophobicContact CB-CE1 4.15Å; P9-F318 HydrophobicContact CB-CG 3.67Å; P9-F318 HydrophobicContact CG-CB 4.23Å; P9-F318 HydrophobicContact CG-CD1 3.87Å; P9-F318 HydrophobicContact CG-CE1 4.47Å; P9-F318 HydrophobicContact CG-CG 4.18Å |
| 10 | S | 92.6 | Very high | 77.7 | Confident | 94 Ų | 94 | 69.5 Ų | 69.5 | 66% | 0.657 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -67 | -14.8 | 179.3 | 67.1 | 0 | 0 | 0 | 0 | 114.2 | C8 F12 | C8-S10 PolarHBondContact O-N 3.01Å; C8-S10 VanDerWaalsContact O-N 3.09Å; C8-S10 PolarHBondContact SG-OG 3.24Å; S10-F12 PolarHBondContact O-N 3.12Å |
| 11 | D | 94 | Very high | 77.8 | Confident | 30 Ų | 30 | 67.3 Ų | 67.3 | 16% | 0.16 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -76.5 | -1.8 | 175.4 | -68.1 | -38 | 0 | 0 | 0 | 113.8 | C8 P9 K31 T32 T33 | C8-D11 PolarHBondContact N-OD2 2.88Å; C8-D11 WeakPolarHBondContact O-CB 3.46Å; C8-D11 PolarHBondContact O-N 2.84Å; P9-D11 PolarHBondContact O-N 2.66Å; D11-K31 HydrophobicContact CB-CD 4.36Å; D11-K31 WeakPolarHBondContact O-CA 3.37Å; D11-K31 IonicContact OD1-NZ 3.58Å; D11-K31 IonicContact OD2-NZ 2.68Å; D11-K31 PolarHBondContact OD2-NZ 2.72Å; D11-T32 VanDerWaalsContact C-OG1 3.27Å; D11-T32 PolarHBondContact O-N 3.41Å; D11-T32 PolarHBondContact O-OG1 2.97Å; D11-T33 WeakPolarHBondContact CB-OG1 3.5Å; D11-T33 PolarHBondContact OD1-OG1 3.46Å |
| 12 | F | 96.1 | Very high | 80.1 | Confident | 13 Ų | 13 | 57.9 Ų | 57.9 | 6% | 0.057 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 142.2 | -172 | -59.5 | -85.3 | 0 | 0 | 0 | 112 | C8 P9 S10 I29 R30 K31 Y41 Y82 M84 V93 F318 | C8-F12 WeakPolarHBondContact O-CD2 3.44Å; P9-F12 PolarHBondContact O-N 2.87Å; S10-F12 PolarHBondContact O-N 3.12Å; F12-I29 HydrophobicContact CB-CB 4.37Å; F12-I29 HydrophobicContact CB-CD1 4.24Å; F12-I29 HydrophobicContact CD1-CD1 3.39Å; F12-I29 HydrophobicContact CD1-CG1 4.11Å; F12-I29 HydrophobicContact CE1-CD1 3.8Å; F12-I29 HydrophobicContact CG-CD1 3.85Å; F12-R30 CarbonylContact C-O 3.58Å; F12-R30 WeakPolarHBondContact CA-O 3.47Å; F12-K31 HydrophobicContact CD1-CB 4.25Å; F12-K31 HydrophobicContact CD1-CD 3.91Å; F12-K31 HydrophobicContact CE1-CB 4.11Å; F12-K31 HydrophobicContact CE1-CD 3.29Å; F12-K31 HydrophobicContact CE1-CG 4.3Å; F12-K31 HydrophobicContact CE2-CD 4.3Å; F12-K31 HydrophobicContact CZ-CD 3.52Å; F12-Y41 HydrophobicContact CE1-CD2 4.31Å; F12-Y82 AromaticContact CZ-CD2 3.94Å; F12-Y82 HydrophobicContact CZ-CD2 3.94Å; F12-Y82 HydrophobicContact CZ-CE2 4.2Å; F12-Y82 HydrophobicContact CZ-CG 4.4Å; F12-M84 HydrophobicContact CE2-CE 4.12Å; F12-M84 HydrophobicContact CE2-SD 4.22Å; F12-V93 HydrophobicContact CE1-CG1 4.07Å; F12-V93 HydrophobicContact CE1-CG2 4.31Å; F12-V93 HydrophobicContact CE2-CG2 4.37Å; F12-V93 HydrophobicContact CZ-CG1 4.36Å; F12-V93 HydrophobicContact CZ-CG2 3.99Å; F12-F318 HydrophobicContact CB-CE2 4.31Å; F12-F318 HydrophobicContact CB-CZ 3.93Å; F12-F318 HydrophobicContact CD2-CZ 4.28Å; F12-F318 HydrophobicContact CG-CZ 4.35Å |
| 13 | V | 96.6 | Very high | 82.7 | Confident | 80 Ų | 80 | 50.8 Ų | 50.8 | 49% | 0.485 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 129.9 | 167.3 | 172.4 | 0 | 0 | 0 | 0 | 108.5 | I29 R30 T32 | V13-I29 CarbonylContact O-C 3.32Å; V13-I29 WeakPolarHBondContact O-CA 3.24Å; V13-R30 PolarHBondContact N-O 2.55Å; V13-R30 PolarHBondContact O-N 3.05Å; V13-T32 HydrophobicContact CB-CG2 4.41Å; V13-T32 HydrophobicContact CG2-CG2 3.61Å |
| 14 | V | 96 | Very high | 85.3 | Confident | 31 Ų | 31 | 47.7 Ų | 47.7 | 19% | 0.188 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 122.4 | 177.3 | -167.4 | 0 | 0 | 0 | 0 | 109.1 | Y27 I29 L314 A317 F318 | V14-Y27 HydrophobicContact CG1-CD1 3.95Å; V14-Y27 HydrophobicContact CG1-CG 4.15Å; V14-I29 HydrophobicContact CB-CG2 4.44Å; V14-I29 HydrophobicContact CG1-CG2 4.36Å; V14-I29 HydrophobicContact CG2-CG2 4.22Å; V14-L314 HydrophobicContact CB-CB 4.38Å; V14-L314 HydrophobicContact CG1-CB 4.08Å; V14-L314 HydrophobicContact CG1-CD2 3.88Å; V14-L314 HydrophobicContact CG1-CG 4.38Å; V14-A317 HydrophobicContact CB-CB 4.36Å; V14-A317 HydrophobicContact CG1-CB 3.87Å; V14-A317 HydrophobicContact CG2-CB 3.57Å; V14-F318 HydrophobicContact CG2-CD2 4.27Å; V14-F318 HydrophobicContact CG2-CE2 3.83Å |
| 15 | E | 93.3 | Very high | 87.3 | Confident | 49 Ų | 49 | 42.1 Ų | 42.1 | 23% | 0.229 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | -46.2 | -174.8 | -60.1 | -161.8 | 159 | 0 | 0 | 112.9 | E28 R30 K40 L314 | E15-E28 HydrophobicContact CB-CB 4.4Å; E15-E28 HydrophobicContact CB-CG 4.23Å; E15-E28 PolarHBondContact N-O 3.4Å; E15-E28 VanDerWaalsContact OE2-OE1 3.1Å; E15-R30 HydrophobicContact CG-CB 4.49Å; E15-R30 IonicContact OE1-CZ 2.68Å; E15-R30 IonicContact OE1-NE 2.83Å; E15-R30 PolarHBondContact OE1-NE 3.2Å; E15-R30 IonicContact OE1-NH2 3.66Å; E15-R30 PolarHBondContact OE1-NH2 2.8Å; E15-R30 IonicContact OE2-NH2 3.52Å; E15-K40 WeakPolarHBondContact OE2-CE 3.24Å; E15-K40 IonicContact OE2-NZ 2.71Å; E15-K40 PolarHBondContact OE2-NZ 2.91Å; E15-L314 WeakPolarHBondContact O-CD1 3.43Å |
| 16 | R | 91.2 | Very high | 88.7 | Confident | 90 Ų | 90 | 38.5 Ų | 38.5 | 34% | 0.34 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 154.7 | -178.4 | 54.3 | 176.6 | 146.8 | 127.3 | -4.7 | 112.5 | Y27 E28 S308 | R16-Y27 CarbonylContact O-C 3.49Å; R16-Y27 VanDerWaalsContact O-CA 3.28Å; R16-Y27 WeakPolarHBondContact O-CA 3.12Å; R16-E28 HydrophobicContact CG-CB 3.48Å; R16-E28 VanDerWaalsContact CG-CB 3.48Å; R16-E28 HydrophobicContact CG-CG 4.29Å; R16-E28 IonicContact CZ-OE1 2.73Å; R16-E28 VanDerWaalsContact CZ-OE1 3.23Å; R16-E28 IonicContact CZ-OE2 2.65Å; R16-E28 IonicContact NE-OE1 2.74Å; R16-E28 PolarHBondContact NE-OE1 2.9Å; R16-E28 IonicContact NE-OE2 3.69Å; R16-E28 PolarHBondContact NE-OE2 3.23Å; R16-E28 IonicContact NH1-OE2 2.68Å; R16-E28 PolarHBondContact NH1-OE2 2.81Å; R16-E28 IonicContact NH2-OE1 3.27Å; R16-E28 PolarHBondContact NH2-OE1 3.13Å; R16-E28 IonicContact NH2-OE2 3.85Å; R16-E28 PolarHBondContact NH2-OE2 3.33Å; R16-E28 PolarHBondContact O-N 3.23Å; R16-S308 CarbonylContact C-O 3.58Å; R16-S308 VanDerWaalsContact CA-O 3.25Å; R16-S308 WeakPolarHBondContact CA-O 3.18Å |
| 17 | F | 89.4 | Confident | 89.6 | Confident | 27 Ų | 27 | 36.8 Ų | 36.8 | 12% | 0.118 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 133.1 | 165.5 | 177.4 | -112.5 | 0 | 0 | 0 | 110.1 | G19 R20 F25 V26 Y27 S308 L313 L314 F326 | F17-G19 WeakPolarHBondContact CE2-O 3.48Å; F17-G19 VanDerWaalsContact CZ-O 3.3Å; F17-G19 WeakPolarHBondContact CZ-O 3.39Å; F17-R20 HydrophobicContact CZ-CB 4.26Å; F17-F25 HydrophobicContact CE2-CB 4.31Å; F17-F25 AromaticContact CE2-CD1 3.58Å; F17-F25 HydrophobicContact CE2-CD1 3.58Å; F17-F25 HydrophobicContact CE2-CE1 4.39Å; F17-F25 HydrophobicContact CE2-CG 4.41Å; F17-F25 HydrophobicContact CZ-CD1 4.09Å; F17-V26 WeakPolarHBondContact CD2-O 3.46Å; F17-Y27 HydrophobicContact CB-CD1 4.25Å; F17-Y27 HydrophobicContact CB-CE1 4.41Å; F17-Y27 HydrophobicContact CD2-CD1 4.02Å; F17-Y27 AromaticContact CD2-CE1 3.79Å; F17-Y27 HydrophobicContact CD2-CE1 3.79Å; F17-S308 PolarHBondContact N-O 3.46Å; F17-S308 WeakPolarHBondContact O-CB 3.4Å; F17-L313 HydrophobicContact CB-CD2 3.53Å; F17-L313 HydrophobicContact CB-CG 4.13Å; F17-L313 HydrophobicContact CD1-CD2 3.74Å; F17-L313 HydrophobicContact CD2-CD1 4.45Å; F17-L313 HydrophobicContact CD2-CD2 4.07Å; F17-L313 HydrophobicContact CD2-CG 4.39Å; F17-L313 HydrophobicContact CE1-CD2 4.44Å; F17-L313 HydrophobicContact CG-CD2 3.51Å; F17-L313 HydrophobicContact CG-CG 4.23Å; F17-L314 HydrophobicContact CB-CD2 4.36Å; F17-F326 HydrophobicContact CE1-CZ 4.13Å; F17-F326 HydrophobicContact CZ-CZ 4.11Å |
| 18 | I | 86.3 | Confident | 90.1 | Very high | 32 Ų | 32 | 36.1 Ų | 36.1 | 16% | 0.164 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | -52.6 | 179 | -63.1 | 176.3 | 0 | 0 | 0 | 109.7 | V26 E28 H296 | I18-V26 HydrophobicContact CB-CB 4.28Å; I18-V26 HydrophobicContact CB-CG1 4.12Å; I18-V26 HydrophobicContact CD1-CG1 4.19Å; I18-V26 HydrophobicContact CG2-CG1 4.38Å; I18-V26 PolarHBondContact N-O 2.78Å; I18-E28 HydrophobicContact CD1-CB 4.09Å; I18-E28 HydrophobicContact CG1-CB 4.37Å; I18-H296 PolarHBondContact O-NE2 3.16Å |
| 19 | G | 83.1 | Confident | 90.5 | Very high | 21 Ų | 21 | 34.2 Ų | 34.2 | 22% | 0.216 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.4 | 175.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | F17 V26 | F17-G19 WeakPolarHBondContact CE2-O 3.48Å; F17-G19 VanDerWaalsContact CZ-O 3.3Å; F17-G19 WeakPolarHBondContact CZ-O 3.39Å; G19-V26 PolarHBondContact N-O 3.42Å; G19-V26 PolarHBondContact O-N 3.49Å |
| 20 | R | 83.4 | Confident | 90.7 | Very high | 62 Ų | 62 | 37.8 Ų | 37.8 | 23% | 0.234 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 137.7 | 176.6 | 60.1 | 166.1 | 173.4 | -126.6 | -56.6 | 111.2 | F17 S24 F25 S299 E301 | F17-R20 HydrophobicContact CZ-CB 4.26Å; R20-S24 CarbonylContact C-O 3.45Å; R20-S24 WeakPolarHBondContact CA-O 3.5Å; R20-F25 HydrophobicContact CB-CD1 4.38Å; R20-F25 HydrophobicContact CB-CE1 4.3Å; R20-S299 PolarHBondContact NH2-OG 3.46Å; R20-E301 VanDerWaalsContact CZ-CB 3.42Å; R20-E301 IonicContact CZ-OE2 2.7Å; R20-E301 IonicContact NE-OE2 2.71Å; R20-E301 PolarHBondContact NE-OE2 2.98Å; R20-E301 IonicContact NH1-OE2 2.81Å; R20-E301 PolarHBondContact NH1-OE2 3.08Å; R20-E301 IonicContact NH2-OE2 3.7Å |
| 21 | G | 79.7 | Confident | 90.9 | Very high | 24 Ų | 24 | 33.8 Ų | 33.8 | 25% | 0.247 | 17% | 0.173 | C | C | . | . | trans | -93.5 | -163.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S24 | G21-S24 PolarHBondContact N-O 3.17Š| ||
| 22 | C | 81.1 | Confident | 91 | Very high | 41 Ų | 41 | 35.3 Ų | 35.3 | 28% | 0.277 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -65.7 | -50.8 | 175.8 | -165.5 | 0 | 0 | 0 | 0 | 111.6 | ||
| 23 | Y | 87.9 | Confident | 90.8 | Very high | 44 Ų | 44 | 37.4 Ų | 37.4 | 17% | 0.173 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -120.8 | 20.1 | -177.9 | -51.3 | -62.1 | 0 | 0 | 0 | 112.2 | F46 L47 A53 C56 | Y23-F46 CarbonylContact O-C 3.53Å; Y23-F46 WeakPolarHBondContact O-CA 3.39Å; Y23-L47 PolarHBondContact O-N 3.36Å; Y23-A53 HydrophobicContact CD1-CB 3.77Å; Y23-A53 HydrophobicContact CD2-CB 4.13Å; Y23-A53 HydrophobicContact CE1-CB 4.28Å; Y23-A53 HydrophobicContact CG-CB 3.68Å; Y23-C56 HydrophobicContact CD2-CB 4.43Å |
| 24 | S | 91.3 | Very high | 90.4 | Very high | 8 Ų | 8 | 36.4 Ų | 36.4 | 6% | 0.056 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 157.5 | -170.2 | 61.1 | 0 | 0 | 0 | 0 | 114 | R20 G21 R45 | R20-S24 CarbonylContact C-O 3.45Å; R20-S24 WeakPolarHBondContact CA-O 3.5Å; G21-S24 PolarHBondContact N-O 3.17Å; S24-R45 CarbonylContact C-O 3.47Å; S24-R45 WeakPolarHBondContact CA-O 3.49Å; S24-R45 WeakPolarHBondContact CB-O 3.47Å |
| 25 | F | 91.3 | Very high | 90.1 | Very high | 10 Ų | 10 | 39.8 Ų | 39.8 | 4% | 0.044 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 138.6 | 171.5 | -73.4 | -104 | 0 | 0 | 0 | 108.1 | F17 R20 Y27 R45 L47 P323 F326 | F17-F25 HydrophobicContact CE2-CB 4.31Å; F17-F25 AromaticContact CE2-CD1 3.58Å; F17-F25 HydrophobicContact CE2-CD1 3.58Å; F17-F25 HydrophobicContact CE2-CE1 4.39Å; F17-F25 HydrophobicContact CE2-CG 4.41Å; F17-F25 HydrophobicContact CZ-CD1 4.09Å; R20-F25 HydrophobicContact CB-CD1 4.38Å; R20-F25 HydrophobicContact CB-CE1 4.3Å; F25-Y27 HydrophobicContact CB-CD2 4.43Å; F25-Y27 HydrophobicContact CB-CE2 3.52Å; F25-R45 PolarHBondContact N-O 3.27Å; F25-R45 PolarHBondContact O-N 3.34Å; F25-L47 HydrophobicContact CD2-CD1 4.06Å; F25-L47 HydrophobicContact CD2-CG 4.26Å; F25-L47 HydrophobicContact CE2-CD1 3.5Å; F25-L47 HydrophobicContact CE2-CG 4.2Å; F25-P323 HydrophobicContact CD1-CG 4.39Å; F25-P323 HydrophobicContact CE1-CG 4.2Å; F25-P323 HydrophobicContact CZ-CG 4.45Å; F25-F326 HydrophobicContact CE1-CB 4.29Å; F25-F326 HydrophobicContact CE1-CD1 4Å; F25-F326 AromaticContact CE1-CD2 3.62Å; F25-F326 HydrophobicContact CE1-CD2 3.62Å; F25-F326 HydrophobicContact CE1-CE1 4.22Å; F25-F326 AromaticContact CE1-CE2 3.86Å; F25-F326 HydrophobicContact CE1-CE2 3.86Å; F25-F326 AromaticContact CE1-CG 3.69Å; F25-F326 HydrophobicContact CE1-CG 3.69Å; F25-F326 HydrophobicContact CE1-CZ 4.15Å; F25-F326 HydrophobicContact CZ-CB 3.99Å; F25-F326 HydrophobicContact CZ-CD1 4.24Å; F25-F326 HydrophobicContact CZ-CD2 4.18Å; F25-F326 AromaticContact CZ-CG 3.87Å; F25-F326 HydrophobicContact CZ-CG 3.87Å |
| 26 | V | 92 | Very high | 90.1 | Very high | 33 Ų | 33 | 37.8 Ų | 37.8 | 20% | 0.2 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 128.1 | -178.5 | -170.5 | 0 | 0 | 0 | 0 | 109 | F17 I18 G19 A42 L43 K44 | F17-V26 WeakPolarHBondContact CD2-O 3.46Å; I18-V26 HydrophobicContact CB-CB 4.28Å; I18-V26 HydrophobicContact CB-CG1 4.12Å; I18-V26 HydrophobicContact CD1-CG1 4.19Å; I18-V26 HydrophobicContact CG2-CG1 4.38Å; I18-V26 PolarHBondContact N-O 2.78Å; G19-V26 PolarHBondContact N-O 3.42Å; G19-V26 PolarHBondContact O-N 3.49Å; V26-A42 HydrophobicContact CG1-CB 4.3Å; V26-L43 CarbonylContact C-O 3.41Å; V26-L43 VanDerWaalsContact CA-O 3.23Å; V26-L43 WeakPolarHBondContact CA-O 3.46Å; V26-K44 HydrophobicContact CG2-CB 4.49Å; V26-K44 HydrophobicContact CG2-CG 4.23Å |
| 27 | Y | 93.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 155 | 178.2 | -53.6 | -96.6 | 0 | 0 | 0 | 110 | V14 R16 F17 F25 A42 L43 R45 L313 L314 A317 | V14-Y27 HydrophobicContact CG1-CD1 3.95Å; V14-Y27 HydrophobicContact CG1-CG 4.15Å; R16-Y27 CarbonylContact O-C 3.49Å; R16-Y27 VanDerWaalsContact O-CA 3.28Å; R16-Y27 WeakPolarHBondContact O-CA 3.12Å; F17-Y27 HydrophobicContact CB-CD1 4.25Å; F17-Y27 HydrophobicContact CB-CE1 4.41Å; F17-Y27 HydrophobicContact CD2-CD1 4.02Å; F17-Y27 AromaticContact CD2-CE1 3.79Å; F17-Y27 HydrophobicContact CD2-CE1 3.79Å; F25-Y27 HydrophobicContact CB-CD2 4.43Å; F25-Y27 HydrophobicContact CB-CE2 3.52Å; Y27-A42 CarbonylContact O-C 3.49Å; Y27-A42 WeakPolarHBondContact O-CA 3.18Å; Y27-L43 HydrophobicContact CD2-CD2 4.24Å; Y27-L43 PolarHBondContact N-O 3.12Å; Y27-L43 PolarHBondContact O-N 3.17Å; Y27-R45 HydrophobicContact CE2-CB 4.47Å; Y27-L313 HydrophobicContact CE1-CD1 4.3Å; Y27-L313 HydrophobicContact CE1-CG 4.27Å; Y27-L314 HydrophobicContact CD1-CD2 3.99Å; Y27-L314 HydrophobicContact CE1-CD2 4.38Å; Y27-A317 HydrophobicContact CD1-CB 4.09Å; Y27-A317 HydrophobicContact CD2-CB 3.85Å; Y27-A317 HydrophobicContact CE1-CB 4.12Å; Y27-A317 HydrophobicContact CE2-CB 3.88Å; Y27-A317 HydrophobicContact CG-CB 3.95Å |
| 28 | E | 93.6 | Very high | 90.5 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 132.7 | 160.4 | -175.8 | 158.4 | 118.4 | 0 | 0 | 109.3 | E15 R16 I18 K40 | E15-E28 HydrophobicContact CB-CB 4.4Å; E15-E28 HydrophobicContact CB-CG 4.23Å; E15-E28 PolarHBondContact N-O 3.4Å; E15-E28 VanDerWaalsContact OE2-OE1 3.1Å; R16-E28 HydrophobicContact CG-CB 3.48Å; R16-E28 VanDerWaalsContact CG-CB 3.48Å; R16-E28 HydrophobicContact CG-CG 4.29Å; R16-E28 IonicContact CZ-OE1 2.73Å; R16-E28 VanDerWaalsContact CZ-OE1 3.23Å; R16-E28 IonicContact CZ-OE2 2.65Å; R16-E28 IonicContact NE-OE1 2.74Å; R16-E28 PolarHBondContact NE-OE1 2.9Å; R16-E28 IonicContact NE-OE2 3.69Å; R16-E28 PolarHBondContact NE-OE2 3.23Å; R16-E28 IonicContact NH1-OE2 2.68Å; R16-E28 PolarHBondContact NH1-OE2 2.81Å; R16-E28 IonicContact NH2-OE1 3.27Å; R16-E28 PolarHBondContact NH2-OE1 3.13Å; R16-E28 IonicContact NH2-OE2 3.85Å; R16-E28 PolarHBondContact NH2-OE2 3.33Å; R16-E28 PolarHBondContact O-N 3.23Å; I18-E28 HydrophobicContact CD1-CB 4.09Å; I18-E28 HydrophobicContact CG1-CB 4.37Å; E28-K40 IonicContact OE1-NZ 2.78Å; E28-K40 PolarHBondContact OE1-NZ 2.84Å |
| 29 | I | 96.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 155.4 | 176.2 | 62.5 | 170.6 | 0 | 0 | 0 | 110.2 | F12 V13 V14 K40 Y41 L43 V93 | F12-I29 HydrophobicContact CB-CB 4.37Å; F12-I29 HydrophobicContact CB-CD1 4.24Å; F12-I29 HydrophobicContact CD1-CD1 3.39Å; F12-I29 HydrophobicContact CD1-CG1 4.11Å; F12-I29 HydrophobicContact CE1-CD1 3.8Å; F12-I29 HydrophobicContact CG-CD1 3.85Å; V13-I29 CarbonylContact O-C 3.32Å; V13-I29 WeakPolarHBondContact O-CA 3.24Å; V14-I29 HydrophobicContact CB-CG2 4.44Å; V14-I29 HydrophobicContact CG1-CG2 4.36Å; V14-I29 HydrophobicContact CG2-CG2 4.22Å; I29-K40 WeakPolarHBondContact O-CA 3.45Å; I29-Y41 PolarHBondContact N-O 3.32Å; I29-Y41 PolarHBondContact O-N 3.4Å; I29-L43 HydrophobicContact CD1-CB 3.86Å; I29-L43 HydrophobicContact CD1-CD1 4.05Å; I29-L43 HydrophobicContact CD1-CG 4.48Å; I29-L43 HydrophobicContact CG1-CB 4.13Å; I29-L43 HydrophobicContact CG2-CB 3.63Å; I29-L43 HydrophobicContact CG2-CD2 4.03Å; I29-L43 HydrophobicContact CG2-CG 4.39Å; I29-V93 HydrophobicContact CD1-CB 4.36Å; I29-V93 HydrophobicContact CD1-CG1 3.73Å; I29-V93 HydrophobicContact CD1-CG2 3.81Å |
| 30 | R | 97 | Very high | 91.5 | Very high | 103 Ų | 103 | 39.5 Ų | 39.5 | 39% | 0.389 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 130.3 | 170.6 | -171.2 | -176.4 | -56.9 | -153.6 | 0.5 | 109.8 | F12 V13 E15 S39 | F12-R30 CarbonylContact C-O 3.58Å; F12-R30 WeakPolarHBondContact CA-O 3.47Å; V13-R30 PolarHBondContact N-O 2.55Å; V13-R30 PolarHBondContact O-N 3.05Å; E15-R30 HydrophobicContact CG-CB 4.49Å; E15-R30 IonicContact OE1-CZ 2.68Å; E15-R30 IonicContact OE1-NE 2.83Å; E15-R30 PolarHBondContact OE1-NE 3.2Å; E15-R30 IonicContact OE1-NH2 3.66Å; E15-R30 PolarHBondContact OE1-NH2 2.8Å; E15-R30 IonicContact OE2-NH2 3.52Å; R30-S39 WeakPolarHBondContact CA-O 3.39Å |
| 31 | K | 96.4 | Very high | 92.1 | Very high | 10 Ų | 10 | 37.4 Ų | 37.4 | 4% | 0.043 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 136.3 | 172.5 | -172.6 | 81 | 164.3 | 108.2 | 0 | 110.2 | D11 F12 T33 D36 G38 S39 Y41 | D11-K31 HydrophobicContact CB-CD 4.36Å; D11-K31 WeakPolarHBondContact O-CA 3.37Å; D11-K31 IonicContact OD1-NZ 3.58Å; D11-K31 IonicContact OD2-NZ 2.68Å; D11-K31 PolarHBondContact OD2-NZ 2.72Å; F12-K31 HydrophobicContact CD1-CB 4.25Å; F12-K31 HydrophobicContact CD1-CD 3.91Å; F12-K31 HydrophobicContact CE1-CB 4.11Å; F12-K31 HydrophobicContact CE1-CD 3.29Å; F12-K31 HydrophobicContact CE1-CG 4.3Å; F12-K31 HydrophobicContact CE2-CD 4.3Å; F12-K31 HydrophobicContact CZ-CD 3.52Å; K31-T33 WeakPolarHBondContact CE-O 3.39Å; K31-T33 WeakPolarHBondContact CG-O 3.14Å; K31-T33 PolarHBondContact NZ-O 3.43Å; K31-T33 VanDerWaalsContact NZ-O 3.11Å; K31-T33 PolarHBondContact NZ-OG1 2.9Å; K31-D36 WeakPolarHBondContact CE-OD1 3.49Å; K31-G38 PolarHBondContact O-N 3.46Å; K31-S39 PolarHBondContact N-O 2.96Å; K31-Y41 HydrophobicContact CB-CD2 4.44Å; K31-Y41 HydrophobicContact CB-CE2 4.01Å |
| 32 | T | 95.7 | Very high | 92.9 | Very high | 62 Ų | 62 | 36.9 Ų | 36.9 | 38% | 0.38 | 22% | 0.219 | S | C | . | . | trans | -111 | -17.2 | 179.5 | 56.7 | 0 | 0 | 0 | 0 | 113.8 | D11 V13 S37 | D11-T32 VanDerWaalsContact C-OG1 3.27Å; D11-T32 PolarHBondContact O-N 3.41Å; D11-T32 PolarHBondContact O-OG1 2.97Å; V13-T32 HydrophobicContact CB-CG2 4.41Å; V13-T32 HydrophobicContact CG2-CG2 3.61Å; T32-S37 PolarHBondContact O-OG 3.05Å | ||
| 33 | T | 92.5 | Very high | 93.6 | Very high | 57 Ų | 57 | 35 Ų | 35 | 35% | 0.35 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -127.4 | 160.6 | -175.5 | 62.9 | 0 | 0 | 0 | 0 | 111.3 | D11 K31 | D11-T33 WeakPolarHBondContact CB-OG1 3.5Å; D11-T33 PolarHBondContact OD1-OG1 3.46Å; K31-T33 WeakPolarHBondContact CE-O 3.39Å; K31-T33 WeakPolarHBondContact CG-O 3.14Å; K31-T33 PolarHBondContact NZ-O 3.43Å; K31-T33 VanDerWaalsContact NZ-O 3.11Å; K31-T33 PolarHBondContact NZ-OG1 2.9Å |
| 34 | G | 87.9 | Confident | 94 | Very high | 59 Ų | 59 | 33.5 Ų | 33.5 | 61% | 0.608 | 20% | 0.2 | S | C | * | . | S | Bend | trans | 81.9 | -175.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | D36 S37 | G34-D36 VanDerWaalsContact C-N 3.3Å; G34-D36 PolarHBondContact O-N 3.17Å; G34-S37 VanDerWaalsContact O-CB 3.29Å; G34-S37 WeakPolarHBondContact O-CB 3.25Å; G34-S37 PolarHBondContact O-N 3.19Å |
| 35 | F | 88.3 | Confident | 94.2 | Very high | 102 Ų | 102 | 33.1 Ų | 33.1 | 45% | 0.447 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -32.6 | -174 | 175.8 | -98.2 | 0 | 0 | 0 | 113.4 | S37 L385 | F35-S37 VanDerWaalsContact C-N 3.32Å; F35-L385 HydrophobicContact CE1-CD1 4.1Å; F35-L385 HydrophobicContact CE1-CG 3.98Å; F35-L385 HydrophobicContact CZ-CD1 3.87Å; F35-L385 HydrophobicContact CZ-CG 4.13Å |
| 36 | D | 93.2 | Very high | 94.3 | Very high | 7 Ų | 7 | 32.9 Ų | 32.9 | 4% | 0.037 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 15.2 | -180 | 68.5 | -45.4 | 0 | 0 | 0 | 112.8 | K31 G34 G38 S39 Y41 Y82 L372 | K31-D36 WeakPolarHBondContact CE-OD1 3.49Å; G34-D36 VanDerWaalsContact C-N 3.3Å; G34-D36 PolarHBondContact O-N 3.17Å; D36-G38 PolarHBondContact O-N 3.14Å; D36-S39 WeakPolarHBondContact O-CB 3.49Å; D36-S39 PolarHBondContact O-N 3.17Å; D36-S39 PolarHBondContact O-OG 3.28Å; D36-Y41 WeakPolarHBondContact CB-OH 3.38Å; D36-Y41 VanDerWaalsContact OD2-CE2 3.25Å; D36-Y41 WeakPolarHBondContact OD2-CE2 3.2Å; D36-Y41 VanDerWaalsContact OD2-CZ 3.28Å; D36-Y41 PolarHBondContact OD2-OH 3.48Å; D36-Y82 VanDerWaalsContact CG-OH 3.25Å; D36-Y82 PolarHBondContact OD1-OH 2.77Å; D36-Y82 PolarHBondContact OD2-OH 3.22Å; D36-Y82 VanDerWaalsContact OD2-OH 3.07Å; D36-L372 HydrophobicContact CB-CD2 4.11Å |
| 37 | S | 94.1 | Very high | 94.2 | Very high | 63 Ų | 63 | 31.5 Ų | 31.5 | 44% | 0.441 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 136.8 | 176.3 | -176.6 | 0 | 0 | 0 | 0 | 111.8 | T32 G34 F35 S39 | T32-S37 PolarHBondContact O-OG 3.05Å; G34-S37 VanDerWaalsContact O-CB 3.29Å; G34-S37 WeakPolarHBondContact O-CB 3.25Å; G34-S37 PolarHBondContact O-N 3.19Å; F35-S37 VanDerWaalsContact C-N 3.32Å; S37-S39 VanDerWaalsContact C-N 3.3Å |
| 38 | G | 94.7 | Very high | 94.1 | Very high | 44 Ų | 44 | 32.2 Ų | 32.2 | 45% | 0.454 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | -15.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | K31 D36 | K31-G38 PolarHBondContact O-N 3.46Å; D36-G38 PolarHBondContact O-N 3.14Å |
| 39 | S | 95.2 | Very high | 93.8 | Very high | 28 Ų | 28 | 34.9 Ų | 34.9 | 20% | 0.196 | 20% | 0.204 | C | C | . | . | trans | -69.2 | 144.4 | 177 | -56 | 0 | 0 | 0 | 0 | 111.6 | R30 K31 D36 S37 | R30-S39 WeakPolarHBondContact CA-O 3.39Å; K31-S39 PolarHBondContact N-O 2.96Å; D36-S39 WeakPolarHBondContact O-CB 3.49Å; D36-S39 PolarHBondContact O-N 3.17Å; D36-S39 PolarHBondContact O-OG 3.28Å; S37-S39 VanDerWaalsContact C-N 3.3Å | ||
| 40 | K | 95.8 | Very high | 93.4 | Very high | 71 Ų | 71 | 36.4 Ų | 36.4 | 31% | 0.309 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 145.1 | 174.7 | -68.9 | -171.2 | 167.5 | -147.3 | 0 | 111.5 | E15 E28 I29 E96 | E15-K40 WeakPolarHBondContact OE2-CE 3.24Å; E15-K40 IonicContact OE2-NZ 2.71Å; E15-K40 PolarHBondContact OE2-NZ 2.91Å; E28-K40 IonicContact OE1-NZ 2.78Å; E28-K40 PolarHBondContact OE1-NZ 2.84Å; I29-K40 WeakPolarHBondContact O-CA 3.45Å; K40-E96 WeakPolarHBondContact CB-OE2 3.28Å |
| 41 | Y | 96.8 | Very high | 93 | Very high | 18 Ų | 18 | 33.8 Ų | 33.8 | 7% | 0.071 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 162.7 | -178.2 | -61.3 | -72.6 | 0 | 0 | 0 | 111.5 | F12 I29 K31 D36 C81 V93 L94 | F12-Y41 HydrophobicContact CE1-CD2 4.31Å; I29-Y41 PolarHBondContact N-O 3.32Å; I29-Y41 PolarHBondContact O-N 3.4Å; K31-Y41 HydrophobicContact CB-CD2 4.44Å; K31-Y41 HydrophobicContact CB-CE2 4.01Å; D36-Y41 WeakPolarHBondContact CB-OH 3.38Å; D36-Y41 VanDerWaalsContact OD2-CE2 3.25Å; D36-Y41 WeakPolarHBondContact OD2-CE2 3.2Å; D36-Y41 VanDerWaalsContact OD2-CZ 3.28Å; D36-Y41 PolarHBondContact OD2-OH 3.48Å; Y41-C81 HydrophobicContact CD1-CB 4.4Å; Y41-C81 HydrophobicContact CE1-CB 4.1Å; Y41-C81 VanDerWaalsContact CE1-SG 3.53Å; Y41-V93 VanDerWaalsContact CB-CG1 3.41Å; Y41-V93 HydrophobicContact CD1-CG1 4.09Å; Y41-V93 HydrophobicContact CD2-CG1 3.89Å; Y41-V93 HydrophobicContact CG-CG1 3.54Å; Y41-L94 WeakPolarHBondContact CA-O 3.21Å; Y41-L94 WeakPolarHBondContact CB-O 3.45Å |
| 42 | A | 96.1 | Very high | 92.7 | Very high | 14 Ų | 14 | 34.6 Ų | 34.6 | 12% | 0.116 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 121.3 | 166 | 0 | 0 | 0 | 0 | 0 | 109.9 | V26 Y27 L94 | V26-A42 HydrophobicContact CG1-CB 4.3Å; Y27-A42 CarbonylContact O-C 3.49Å; Y27-A42 WeakPolarHBondContact O-CA 3.18Å; A42-L94 HydrophobicContact CB-CB 4.49Å; A42-L94 PolarHBondContact N-O 2.8Å; A42-L94 PolarHBondContact O-N 2.98Å |
| 43 | L | 96.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 109.4 | 171.3 | -176.3 | 76.1 | 0 | 0 | 0 | 109.8 | V26 Y27 I29 M84 A91 F92 V93 A317 F318 | V26-L43 CarbonylContact C-O 3.41Å; V26-L43 VanDerWaalsContact CA-O 3.23Å; V26-L43 WeakPolarHBondContact CA-O 3.46Å; Y27-L43 HydrophobicContact CD2-CD2 4.24Å; Y27-L43 PolarHBondContact N-O 3.12Å; Y27-L43 PolarHBondContact O-N 3.17Å; I29-L43 HydrophobicContact CD1-CB 3.86Å; I29-L43 HydrophobicContact CD1-CD1 4.05Å; I29-L43 HydrophobicContact CD1-CG 4.48Å; I29-L43 HydrophobicContact CG1-CB 4.13Å; I29-L43 HydrophobicContact CG2-CB 3.63Å; I29-L43 HydrophobicContact CG2-CD2 4.03Å; I29-L43 HydrophobicContact CG2-CG 4.39Å; L43-M84 HydrophobicContact CD1-CE 4.24Å; L43-A91 HydrophobicContact CD1-CB 3.77Å; L43-A91 HydrophobicContact CG-CB 4.4Å; L43-F92 CarbonylContact C-O 3.47Å; L43-F92 VanDerWaalsContact CA-O 3.31Å; L43-F92 WeakPolarHBondContact CA-O 3.12Å; L43-V93 HydrophobicContact CD1-CG2 3.85Å; L43-A317 HydrophobicContact CD2-CB 3.94Å; L43-A317 VanDerWaalsContact CD2-O 3.31Å; L43-A317 WeakPolarHBondContact CD2-O 3.32Å; L43-F318 HydrophobicContact CD1-CD1 4.34Å; L43-F318 HydrophobicContact CD1-CE1 3.5Å; L43-F318 VanDerWaalsContact CD1-CE1 3.5Å; L43-F318 HydrophobicContact CD1-CZ 3.89Å; L43-F318 HydrophobicContact CD2-CD1 4.05Å; L43-F318 HydrophobicContact CD2-CD2 4.33Å; L43-F318 HydrophobicContact CD2-CE1 3.61Å; L43-F318 HydrophobicContact CD2-CE2 3.92Å; L43-F318 HydrophobicContact CD2-CG 4.4Å; L43-F318 HydrophobicContact CD2-CZ 3.54Å; L43-F318 HydrophobicContact CG-CE1 4.22Å; L43-F318 HydrophobicContact CG-CZ 4.35Å |
| 44 | K | 95.8 | Very high | 92.4 | Very high | 13 Ų | 13 | 29 Ų | 29 | 6% | 0.057 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 101.1 | 170.4 | -171 | 178.7 | -172.1 | -168.1 | 0 | 108.9 | V26 F46 E60 A91 F92 L94 D158 | V26-K44 HydrophobicContact CG2-CB 4.49Å; V26-K44 HydrophobicContact CG2-CG 4.23Å; K44-F46 HydrophobicContact CB-CE2 4.49Å; K44-F46 HydrophobicContact CD-CE1 4.24Å; K44-F46 HydrophobicContact CD-CE2 4.34Å; K44-F46 HydrophobicContact CD-CZ 3.65Å; K44-F46 HydrophobicContact CG-CE1 4.4Å; K44-F46 HydrophobicContact CG-CE2 4.07Å; K44-F46 HydrophobicContact CG-CZ 3.79Å; K44-F46 WeakPolarHBondContact O-CE2 3.47Å; K44-E60 IonicContact NZ-OE1 3.63Å; K44-E60 PolarHBondContact NZ-OE1 3.37Å; K44-E60 IonicContact NZ-OE2 3.83Å; K44-E60 PolarHBondContact NZ-OE2 2.99Å; K44-A91 CarbonylContact O-C 3.6Å; K44-A91 VanDerWaalsContact O-CA 3.3Å; K44-A91 WeakPolarHBondContact O-CA 3.32Å; K44-F92 HydrophobicContact CB-CB 4.4Å; K44-F92 HydrophobicContact CD-CD2 4.49Å; K44-F92 PolarHBondContact N-O 3.06Å; K44-F92 PolarHBondContact O-N 3.24Å; K44-L94 HydrophobicContact CB-CD1 4.25Å; K44-D158 IonicContact NZ-OD1 2.66Å; K44-D158 PolarHBondContact NZ-OD1 2.94Å |
| 45 | R | 94.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 135 | 175.9 | -177.8 | -163.8 | 62 | 153.7 | -1.3 | 110.5 | S24 F25 Y27 A91 G316 A317 K319 W321 | S24-R45 CarbonylContact C-O 3.47Å; S24-R45 WeakPolarHBondContact CA-O 3.49Å; S24-R45 WeakPolarHBondContact CB-O 3.47Å; F25-R45 PolarHBondContact N-O 3.27Å; F25-R45 PolarHBondContact O-N 3.34Å; Y27-R45 HydrophobicContact CE2-CB 4.47Å; R45-A91 HydrophobicContact CB-CB 4.47Å; R45-G316 PolarHBondContact NH1-O 2.97Å; R45-A317 VanDerWaalsContact CD-O 3.25Å; R45-A317 WeakPolarHBondContact CD-O 3.17Å; R45-K319 VanDerWaalsContact CD-O 3.27Å; R45-K319 WeakPolarHBondContact CD-O 3.44Å; R45-K319 PolarHBondContact NH1-O 2.88Å; R45-W321 PolarHBondContact NH1-O 2.92Å |
| 46 | F | 93.6 | Very high | 92.8 | Very high | 6 Ų | 6 | 25.5 Ų | 25.5 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 146 | 178.4 | -59.6 | -94.6 | 0 | 0 | 0 | 112.7 | Y23 K44 L48 V57 E60 S90 F92 | Y23-F46 CarbonylContact O-C 3.53Å; Y23-F46 WeakPolarHBondContact O-CA 3.39Å; K44-F46 HydrophobicContact CB-CE2 4.49Å; K44-F46 HydrophobicContact CD-CE1 4.24Å; K44-F46 HydrophobicContact CD-CE2 4.34Å; K44-F46 HydrophobicContact CD-CZ 3.65Å; K44-F46 HydrophobicContact CG-CE1 4.4Å; K44-F46 HydrophobicContact CG-CE2 4.07Å; K44-F46 HydrophobicContact CG-CZ 3.79Å; K44-F46 WeakPolarHBondContact O-CE2 3.47Å; F46-L48 HydrophobicContact CB-CD2 4.47Å; F46-V57 HydrophobicContact CB-CB 4.36Å; F46-V57 HydrophobicContact CB-CG2 4.09Å; F46-V57 HydrophobicContact CD1-CB 3.85Å; F46-V57 HydrophobicContact CD1-CG2 3.81Å; F46-V57 HydrophobicContact CD2-CB 4.34Å; F46-V57 HydrophobicContact CD2-CG2 3.41Å; F46-V57 VanDerWaalsContact CD2-CG2 3.41Å; F46-V57 HydrophobicContact CE1-CB 4.22Å; F46-V57 HydrophobicContact CE1-CG2 4.07Å; F46-V57 HydrophobicContact CE2-CG2 3.72Å; F46-V57 HydrophobicContact CG-CB 3.91Å; F46-V57 HydrophobicContact CG-CG2 3.47Å; F46-V57 VanDerWaalsContact CG-CG2 3.47Å; F46-V57 HydrophobicContact CZ-CG2 4.04Å; F46-E60 WeakPolarHBondContact CE1-OE2 3.2Å; F46-E60 VanDerWaalsContact CZ-OE2 3.28Å; F46-E60 WeakPolarHBondContact CZ-OE2 3.37Å; F46-S90 PolarHBondContact N-O 3.47Å; F46-F92 HydrophobicContact CE1-CE2 4.32Å; F46-F92 HydrophobicContact CE2-CD1 4.18Å; F46-F92 AromaticContact CE2-CD2 3.38Å; F46-F92 HydrophobicContact CE2-CD2 3.38Å; F46-F92 HydrophobicContact CE2-CE1 4.13Å; F46-F92 AromaticContact CE2-CE2 3.3Å; F46-F92 HydrophobicContact CE2-CE2 3.3Å; F46-F92 AromaticContact CE2-CG 3.81Å; F46-F92 HydrophobicContact CE2-CG 3.81Å; F46-F92 AromaticContact CE2-CZ 3.68Å; F46-F92 HydrophobicContact CE2-CZ 3.68Å; F46-F92 AromaticContact CZ-CD2 3.48Å; F46-F92 HydrophobicContact CZ-CD2 3.48Å; F46-F92 VanDerWaalsContact CZ-CD2 3.48Å; F46-F92 AromaticContact CZ-CE2 3.17Å; F46-F92 HydrophobicContact CZ-CE2 3.17Å; F46-F92 HydrophobicContact CZ-CG 4.36Å; F46-F92 AromaticContact CZ-CZ 3.87Å; F46-F92 HydrophobicContact CZ-CZ 3.87Å |
| 47 | L | 90.8 | Very high | 92.9 | Very high | 3 Ų | 3 | 25.1 Ų | 25.1 | 2% | 0.016 | 15% | 0.149 | C | C | . | . | trans | -104.1 | 109.8 | 171.1 | -65.7 | -175 | 0 | 0 | 0 | 108.8 | Y23 F25 E49 A53 R322 | Y23-L47 PolarHBondContact O-N 3.36Å; F25-L47 HydrophobicContact CD2-CD1 4.06Å; F25-L47 HydrophobicContact CD2-CG 4.26Å; F25-L47 HydrophobicContact CE2-CD1 3.5Å; F25-L47 HydrophobicContact CE2-CG 4.2Å; L47-E49 HydrophobicContact CB-CG 4.13Å; L47-E49 PolarHBondContact O-N 2.98Å; L47-A53 WeakPolarHBondContact O-CB 3.48Å; L47-R322 HydrophobicContact CD1-CB 4.07Å; L47-R322 HydrophobicContact CD1-CG 4.06Å | ||
| 48 | L | 91 | Very high | 93 | Very high | 16 Ų | 16 | 24.3 Ų | 24.3 | 8% | 0.084 | 14% | 0.139 | C | C | . | . | trans | -82.2 | 71.1 | 178.4 | -54.2 | -171.6 | 0 | 0 | 0 | 110 | F46 V54 V57 W85 L348 F362 | F46-L48 HydrophobicContact CB-CD2 4.47Å; L48-V54 HydrophobicContact CB-CG2 4.32Å; L48-V54 HydrophobicContact CD2-CG2 4.22Å; L48-V57 HydrophobicContact CD2-CG1 3.81Å; L48-W85 HydrophobicContact CD1-CH2 3.66Å; L48-W85 HydrophobicContact CD1-CZ3 3.51Å; L48-L348 HydrophobicContact CB-CD1 3.97Å; L48-L348 WeakPolarHBondContact O-CD1 3.17Å; L48-F362 HydrophobicContact CD1-CE2 4.12Å; L48-F362 HydrophobicContact CD1-CZ 3.83Å; L48-F362 HydrophobicContact CD2-CZ 4.22Å | ||
| 49 | E | 86.8 | Confident | 93 | Very high | 57 Ų | 57 | 24.3 Ų | 24.3 | 27% | 0.266 | 13% | 0.125 | S | C | . | . | trans | -102.3 | -6.7 | -177.2 | -68.8 | 173.4 | 171.6 | 0 | 0 | 113 | L47 R322 S347 | L47-E49 HydrophobicContact CB-CG 4.13Å; L47-E49 PolarHBondContact O-N 2.98Å; E49-R322 IonicContact OE1-CZ 2.71Å; E49-R322 IonicContact OE1-NE 3.5Å; E49-R322 PolarHBondContact OE1-NE 2.94Å; E49-R322 IonicContact OE1-NH2 3.38Å; E49-R322 PolarHBondContact OE1-NH2 2.9Å; E49-R322 IonicContact OE2-CZ 3.59Å; E49-R322 IonicContact OE2-NE 2.73Å; E49-R322 IonicContact OE2-NH2 3.5Å; E49-R322 PolarHBondContact OE2-NH2 3.07Å; E49-S347 WeakPolarHBondContact O-CB 3.39Å; E49-S347 PolarHBondContact O-OG 3.15Å | ||
| 50 | S | 87.9 | Confident | 93.1 | Very high | 32 Ų | 32 | 23.1 Ų | 23.1 | 22% | 0.224 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -154.6 | 163 | 179.7 | 70.4 | 0 | 0 | 0 | 0 | 112.2 | S52 A53 V54 L348 | S50-S52 VanDerWaalsContact C-N 3.28Å; S50-S52 PolarHBondContact O-N 3.44Å; S50-A53 WeakPolarHBondContact O-CB 3.45Å; S50-A53 PolarHBondContact O-N 3.11Å; S50-A53 VanDerWaalsContact O-N 3.09Å; S50-A53 PolarHBondContact OG-N 2.96Å; S50-A53 VanDerWaalsContact OG-N 3.15Å; S50-V54 PolarHBondContact O-N 3.21Å; S50-V54 VanDerWaalsContact O-N 3.16Å; S50-L348 WeakPolarHBondContact O-CD2 3.48Å |
| 51 | D | 89.7 | Confident | 93.2 | Very high | 47 Ų | 47 | 20.2 Ų | 20.2 | 25% | 0.251 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -56.5 | -42.4 | 173 | 180 | 66.5 | 0 | 0 | 0 | 111.8 | A53 V54 K55 A351 Y353 | D51-A53 VanDerWaalsContact C-N 3.3Å; D51-A53 PolarHBondContact O-N 3.01Å; D51-V54 PolarHBondContact O-N 3.45Å; D51-K55 WeakPolarHBondContact O-CG 3.49Å; D51-K55 PolarHBondContact O-N 2.85Å; D51-K55 WeakPolarHBondContact OD2-CE 3.4Å; D51-K55 IonicContact OD2-NZ 2.66Å; D51-K55 PolarHBondContact OD2-NZ 3.4Å; D51-A351 HydrophobicContact CB-CB 4.24Å; D51-Y353 HydrophobicContact CB-CE2 4.09Å; D51-Y353 VanDerWaalsContact OD1-CE2 3.29Å; D51-Y353 WeakPolarHBondContact OD1-CE2 3.47Å; D51-Y353 PolarHBondContact OD1-OH 3.03Å |
| 52 | S | 88.8 | Confident | 93.2 | Very high | 27 Ų | 27 | 23.2 Ų | 23.2 | 19% | 0.189 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58.7 | -39.9 | 174.5 | -46 | 0 | 0 | 0 | 0 | 112 | S50 K55 C56 D435 | S50-S52 VanDerWaalsContact C-N 3.28Å; S50-S52 PolarHBondContact O-N 3.44Å; S52-K55 PolarHBondContact O-N 3.37Å; S52-C56 WeakPolarHBondContact O-CB 3.48Å; S52-C56 PolarHBondContact O-N 3.13Å; S52-C56 PolarHBondContact O-SG 3.34Å; S52-C56 VanDerWaalsContact O-SG 3.35Å; S52-D435 PolarHBondContact OG-OD1 3.39Å; S52-D435 VanDerWaalsContact OG-OD1 3.1Å |
| 53 | A | 90 | Very high | 93.2 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.008 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.8 | -42.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y23 L47 S50 D51 C56 V57 | Y23-A53 HydrophobicContact CD1-CB 3.77Å; Y23-A53 HydrophobicContact CD2-CB 4.13Å; Y23-A53 HydrophobicContact CE1-CB 4.28Å; Y23-A53 HydrophobicContact CG-CB 3.68Å; L47-A53 WeakPolarHBondContact O-CB 3.48Å; S50-A53 WeakPolarHBondContact O-CB 3.45Å; S50-A53 PolarHBondContact O-N 3.11Å; S50-A53 VanDerWaalsContact O-N 3.09Å; S50-A53 PolarHBondContact OG-N 2.96Å; S50-A53 VanDerWaalsContact OG-N 3.15Å; D51-A53 VanDerWaalsContact C-N 3.3Å; D51-A53 PolarHBondContact O-N 3.01Å; A53-C56 PolarHBondContact O-N 3.3Å; A53-V57 WeakPolarHBondContact O-CG1 3.31Å; A53-V57 PolarHBondContact O-N 3.37Å; A53-V57 VanDerWaalsContact O-N 3.08Å |
| 54 | V | 93.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.006 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.2 | -46.1 | 176.1 | 176.4 | 0 | 0 | 0 | 0 | 110.9 | L48 S50 D51 C56 V57 L58 L348 Y353 L358 L361 F362 | L48-V54 HydrophobicContact CB-CG2 4.32Å; L48-V54 HydrophobicContact CD2-CG2 4.22Å; S50-V54 PolarHBondContact O-N 3.21Å; S50-V54 VanDerWaalsContact O-N 3.16Å; D51-V54 PolarHBondContact O-N 3.45Å; V54-C56 PolarHBondContact O-N 2.96Å; V54-V57 VanDerWaalsContact O-CG1 3.26Å; V54-V57 WeakPolarHBondContact O-CG1 3.1Å; V54-V57 PolarHBondContact O-N 3.04Å; V54-L58 HydrophobicContact CG1-CD1 3.89Å; V54-L58 WeakPolarHBondContact O-CG 3.32Å; V54-L58 PolarHBondContact O-N 2.98Å; V54-L58 VanDerWaalsContact O-N 3.15Å; V54-L348 HydrophobicContact CG2-CD1 4.31Å; V54-L348 HydrophobicContact CG2-CD2 3.9Å; V54-Y353 HydrophobicContact CB-CE1 4.36Å; V54-Y353 HydrophobicContact CG1-CE1 3.86Å; V54-Y353 HydrophobicContact CG2-CE1 4.32Å; V54-L358 HydrophobicContact CG2-CD2 4.25Å; V54-L361 HydrophobicContact CG1-CD1 4.43Å; V54-F362 HydrophobicContact CG1-CE2 4.11Å; V54-F362 HydrophobicContact CG1-CZ 4.5Å |
| 55 | K | 92 | Very high | 93.4 | Very high | 75 Ų | 75 | 24.5 Ų | 24.5 | 33% | 0.326 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -60.6 | -45.6 | 176.2 | -73.9 | 170.9 | 172.4 | 165.1 | 0 | 112 | D51 S52 R59 D174 | D51-K55 WeakPolarHBondContact O-CG 3.49Å; D51-K55 PolarHBondContact O-N 2.85Å; D51-K55 WeakPolarHBondContact OD2-CE 3.4Å; D51-K55 IonicContact OD2-NZ 2.66Å; D51-K55 PolarHBondContact OD2-NZ 3.4Å; S52-K55 PolarHBondContact O-N 3.37Å; K55-R59 WeakPolarHBondContact O-CB 3.39Å; K55-R59 PolarHBondContact O-N 3.37Å; K55-D174 IonicContact NZ-OD2 2.72Å; K55-D174 PolarHBondContact NZ-OD2 2.97Å |
| 56 | C | 92.5 | Very high | 93.5 | Very high | 12 Ų | 12 | 27.6 Ų | 27.6 | 8% | 0.081 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.7 | -47.8 | 179.3 | -82.2 | 0 | 0 | 0 | 0 | 112.4 | Y23 S52 A53 V54 R59 E60 D160 | Y23-C56 HydrophobicContact CD2-CB 4.43Å; S52-C56 WeakPolarHBondContact O-CB 3.48Å; S52-C56 PolarHBondContact O-N 3.13Å; S52-C56 PolarHBondContact O-SG 3.34Å; S52-C56 VanDerWaalsContact O-SG 3.35Å; A53-C56 PolarHBondContact O-N 3.3Å; V54-C56 PolarHBondContact O-N 2.96Å; C56-R59 PolarHBondContact O-N 3.4Å; C56-E60 WeakPolarHBondContact O-CB 3.27Å; C56-E60 PolarHBondContact O-N 3.1Å; C56-D160 HydrophobicContact CB-CB 4.26Å |
| 57 | V | 95.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -68.1 | -40.7 | -178.2 | 68.3 | 0 | 0 | 0 | 0 | 112.3 | F46 L48 A53 V54 E60 R61 F92 F362 F365 | F46-V57 HydrophobicContact CB-CB 4.36Å; F46-V57 HydrophobicContact CB-CG2 4.09Å; F46-V57 HydrophobicContact CD1-CB 3.85Å; F46-V57 HydrophobicContact CD1-CG2 3.81Å; F46-V57 HydrophobicContact CD2-CB 4.34Å; F46-V57 HydrophobicContact CD2-CG2 3.41Å; F46-V57 VanDerWaalsContact CD2-CG2 3.41Å; F46-V57 HydrophobicContact CE1-CB 4.22Å; F46-V57 HydrophobicContact CE1-CG2 4.07Å; F46-V57 HydrophobicContact CE2-CG2 3.72Å; F46-V57 HydrophobicContact CG-CB 3.91Å; F46-V57 HydrophobicContact CG-CG2 3.47Å; F46-V57 VanDerWaalsContact CG-CG2 3.47Å; F46-V57 HydrophobicContact CZ-CG2 4.04Å; L48-V57 HydrophobicContact CD2-CG1 3.81Å; A53-V57 WeakPolarHBondContact O-CG1 3.31Å; A53-V57 PolarHBondContact O-N 3.37Å; A53-V57 VanDerWaalsContact O-N 3.08Å; V54-V57 VanDerWaalsContact O-CG1 3.26Å; V54-V57 WeakPolarHBondContact O-CG1 3.1Å; V54-V57 PolarHBondContact O-N 3.04Å; V57-E60 PolarHBondContact O-N 2.73Å; V57-R61 WeakPolarHBondContact O-CB 3.36Å; V57-R61 PolarHBondContact O-N 3.09Å; V57-F92 HydrophobicContact CG2-CE1 4.34Å; V57-F92 HydrophobicContact CG2-CZ 3.83Å; V57-F362 HydrophobicContact CG1-CE1 3.83Å; V57-F362 HydrophobicContact CG1-CZ 3.53Å; V57-F365 HydrophobicContact CG2-CE2 3.83Å; V57-F365 HydrophobicContact CG2-CZ 3.81Å |
| 58 | L | 95.7 | Very high | 94 | Very high | 46 Ų | 46 | 27.7 Ų | 27.7 | 24% | 0.241 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.8 | -40.4 | 178.1 | -68.6 | 174.3 | 0 | 0 | 0 | 111.6 | V54 R62 L361 F362 F365 | V54-L58 HydrophobicContact CG1-CD1 3.89Å; V54-L58 WeakPolarHBondContact O-CG 3.32Å; V54-L58 PolarHBondContact O-N 2.98Å; V54-L58 VanDerWaalsContact O-N 3.15Å; L58-R62 WeakPolarHBondContact O-CB 3.29Å; L58-R62 PolarHBondContact O-N 3.31Å; L58-L361 HydrophobicContact CD1-CB 4.23Å; L58-L361 HydrophobicContact CD1-CD2 4.34Å; L58-F362 HydrophobicContact CD1-CE2 4.44Å; L58-F362 HydrophobicContact CD2-CD1 4.21Å; L58-F362 HydrophobicContact CD2-CD2 4.17Å; L58-F362 HydrophobicContact CD2-CE1 4.04Å; L58-F362 HydrophobicContact CD2-CE2 4.02Å; L58-F362 HydrophobicContact CD2-CG 4.27Å; L58-F362 HydrophobicContact CD2-CZ 3.95Å; L58-F362 HydrophobicContact CG-CE2 4.28Å; L58-F362 HydrophobicContact CG-CZ 4.16Å; L58-F365 HydrophobicContact CD2-CD2 4.4Å |
| 59 | R | 95.1 | Very high | 94.2 | Very high | 43 Ų | 43 | 31.7 Ų | 31.7 | 16% | 0.162 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.7 | -50.8 | 174.8 | -179 | -165.8 | -75.1 | 165.1 | -8.5 | 111.3 | K55 C56 R61 R62 I63 D160 S162 D175 | K55-R59 WeakPolarHBondContact O-CB 3.39Å; K55-R59 PolarHBondContact O-N 3.37Å; C56-R59 PolarHBondContact O-N 3.4Å; R59-R61 PolarHBondContact O-N 3.16Å; R59-R62 PolarHBondContact O-N 3.26Å; R59-I63 HydrophobicContact CG-CD1 4.34Å; R59-I63 PolarHBondContact O-N 3.45Å; R59-I63 VanDerWaalsContact O-N 3.13Å; R59-D160 VanDerWaalsContact CD-O 3.31Å; R59-D160 WeakPolarHBondContact CD-O 3.27Å; R59-D160 PolarHBondContact NH1-O 3.45Å; R59-S162 WeakPolarHBondContact CD-O 3.46Å; R59-D175 IonicContact CZ-OD1 2.84Å; R59-D175 IonicContact NH2-OD1 3.2Å; R59-D175 PolarHBondContact NH2-OD1 2.99Å |
| 60 | E | 96.5 | Very high | 94.6 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 1% | 0.014 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.4 | -45.8 | 179.2 | -163.5 | 172.8 | -173.9 | 0 | 0 | 111 | K44 F46 C56 V57 R62 I63 L64 F92 L159 D160 | K44-E60 IonicContact NZ-OE1 3.63Å; K44-E60 PolarHBondContact NZ-OE1 3.37Å; K44-E60 IonicContact NZ-OE2 3.83Å; K44-E60 PolarHBondContact NZ-OE2 2.99Å; F46-E60 WeakPolarHBondContact CE1-OE2 3.2Å; F46-E60 VanDerWaalsContact CZ-OE2 3.28Å; F46-E60 WeakPolarHBondContact CZ-OE2 3.37Å; C56-E60 WeakPolarHBondContact O-CB 3.27Å; C56-E60 PolarHBondContact O-N 3.1Å; V57-E60 PolarHBondContact O-N 2.73Å; E60-R62 VanDerWaalsContact C-N 3.32Å; E60-R62 PolarHBondContact O-N 3Å; E60-I63 PolarHBondContact O-N 3.32Å; E60-L64 HydrophobicContact CG-CD1 3.81Å; E60-L64 HydrophobicContact CG-CG 4.24Å; E60-L64 WeakPolarHBondContact O-CB 3.42Å; E60-L64 WeakPolarHBondContact O-CG 3.34Å; E60-L64 PolarHBondContact O-N 3.3Å; E60-F92 HydrophobicContact CB-CE2 3.86Å; E60-F92 HydrophobicContact CB-CZ 4.27Å; E60-F92 HydrophobicContact CG-CE2 3.74Å; E60-L159 HydrophobicContact CG-CB 4.09Å; E60-L159 PolarHBondContact OE1-N 3.38Å; E60-D160 HydrophobicContact CB-CB 4.31Å |
| 61 | R | 97.5 | Very high | 94.8 | Very high | 10 Ų | 10 | 37.9 Ų | 37.9 | 4% | 0.038 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.3 | -45.2 | 177.7 | 174.1 | 53 | -170.4 | 64.4 | 3.4 | 111.9 | V57 R59 E65 S83 F92 S364 F365 | V57-R61 WeakPolarHBondContact O-CB 3.36Å; V57-R61 PolarHBondContact O-N 3.09Å; R59-R61 PolarHBondContact O-N 3.16Å; R61-E65 IonicContact CZ-OE1 3.12Å; R61-E65 IonicContact CZ-OE2 3.38Å; R61-E65 IonicContact NH1-OE1 2.66Å; R61-E65 PolarHBondContact NH1-OE1 2.94Å; R61-E65 IonicContact NH1-OE2 2.63Å; R61-E65 PolarHBondContact NH1-OE2 3.45Å; R61-E65 VanDerWaalsContact NH2-CD 3.31Å; R61-E65 IonicContact NH2-OE1 2.77Å; R61-E65 PolarHBondContact NH2-OE1 3.28Å; R61-E65 IonicContact NH2-OE2 3.19Å; R61-E65 WeakPolarHBondContact O-CB 3.4Å; R61-E65 PolarHBondContact O-N 3.47Å; R61-S83 WeakPolarHBondContact CD-OG 3.41Å; R61-S83 PolarHBondContact NE-OG 3.18Å; R61-F92 HydrophobicContact CB-CE1 3.71Å; R61-F92 HydrophobicContact CB-CZ 3.61Å; R61-F92 HydrophobicContact CG-CE1 4.19Å; R61-S364 PolarHBondContact NH2-O 3.05Å; R61-F365 HydrophobicContact CB-CD2 4.18Å; R61-F365 HydrophobicContact CB-CE2 3.76Å; R61-F365 HydrophobicContact CG-CD2 3.7Å; R61-F365 HydrophobicContact CG-CE2 3.73Å; R61-F365 HydrophobicContact CG-CG 4.41Å; R61-F365 HydrophobicContact CG-CZ 4.48Å; R61-F365 PolarHBondContact NE-O 3.4Å |
| 62 | R | 96.7 | Very high | 94.9 | Very high | 82 Ų | 82 | 41.8 Ų | 41.8 | 31% | 0.309 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -64 | -44.1 | 179.6 | 177.9 | 170.4 | 173.2 | -81.7 | -11.7 | 111.9 | L58 R59 E60 R66 D164 Q167 | L58-R62 WeakPolarHBondContact O-CB 3.29Å; L58-R62 PolarHBondContact O-N 3.31Å; R59-R62 PolarHBondContact O-N 3.26Å; E60-R62 VanDerWaalsContact C-N 3.32Å; E60-R62 PolarHBondContact O-N 3Å; R62-R66 WeakPolarHBondContact O-CG 3.18Å; R62-R66 PolarHBondContact O-N 3.24Å; R62-R66 VanDerWaalsContact O-N 3.09Å; R62-D164 IonicContact CZ-OD2 3.53Å; R62-D164 IonicContact NH1-OD2 3.72Å; R62-D164 PolarHBondContact NH1-OD2 3.16Å; R62-D164 IonicContact NH2-OD2 2.9Å; R62-D164 PolarHBondContact NH2-OD2 3.39Å; R62-Q167 VanDerWaalsContact CZ-CG 3.46Å; R62-Q167 VanDerWaalsContact NH1-NE2 3.11Å |
| 63 | I | 97.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.1 | -44.9 | -179.9 | -70.9 | 173.3 | 0 | 0 | 0 | 111 | R59 E60 E65 R66 L67 I136 L159 | R59-I63 HydrophobicContact CG-CD1 4.34Å; R59-I63 PolarHBondContact O-N 3.45Å; R59-I63 VanDerWaalsContact O-N 3.13Å; E60-I63 PolarHBondContact O-N 3.32Å; I63-E65 VanDerWaalsContact C-N 3.34Å; I63-E65 PolarHBondContact O-N 3.49Å; I63-R66 PolarHBondContact O-N 3.06Å; I63-L67 HydrophobicContact CG2-CD1 4.19Å; I63-L67 WeakPolarHBondContact O-CG 3.48Å; I63-L67 PolarHBondContact O-N 3.32Å; I63-I136 HydrophobicContact CD1-CG2 4.06Å; I63-I136 HydrophobicContact CG1-CD1 4.31Å; I63-I136 HydrophobicContact CG2-CD1 3.95Å; I63-I136 HydrophobicContact CG2-CG2 4.36Å; I63-L159 HydrophobicContact CG2-CB 4.12Å; I63-L159 HydrophobicContact CG2-CD1 3.6Å; I63-L159 HydrophobicContact CG2-CG 4.4Å |
| 64 | L | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.7 | -37.9 | 179.1 | -77.8 | 175.1 | 0 | 0 | 0 | 113 | E60 L67 A68 P78 L80 F92 L94 L159 | E60-L64 HydrophobicContact CG-CD1 3.81Å; E60-L64 HydrophobicContact CG-CG 4.24Å; E60-L64 WeakPolarHBondContact O-CB 3.42Å; E60-L64 WeakPolarHBondContact O-CG 3.34Å; E60-L64 PolarHBondContact O-N 3.3Å; L64-L67 PolarHBondContact O-N 2.88Å; L64-A68 WeakPolarHBondContact O-CB 3.36Å; L64-A68 PolarHBondContact O-N 2.7Å; L64-P78 HydrophobicContact CD2-CB 3.91Å; L64-P78 HydrophobicContact CD2-CG 4.39Å; L64-L80 HydrophobicContact CB-CB 3.94Å; L64-L80 HydrophobicContact CB-CD2 3.9Å; L64-L80 HydrophobicContact CB-CG 4.41Å; L64-L80 HydrophobicContact CD1-CD1 4.37Å; L64-F92 HydrophobicContact CD1-CD2 3.65Å; L64-F92 HydrophobicContact CD1-CE2 3.79Å; L64-F92 HydrophobicContact CD1-CG 4.29Å; L64-L94 HydrophobicContact CD1-CD2 4Å; L64-L94 HydrophobicContact CD2-CD2 4.34Å; L64-L159 HydrophobicContact CD2-CD1 3.89Å; L64-L159 HydrophobicContact CG-CD1 4.4Å |
| 65 | E | 97.3 | Very high | 95.6 | Very high | 53 Ų | 53 | 45.3 Ų | 45.3 | 25% | 0.248 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.3 | -41.3 | 173.1 | 166.4 | 179.9 | -113.5 | 0 | 0 | 112.3 | R61 I63 L67 A68 L69 F367 | R61-E65 IonicContact CZ-OE1 3.12Å; R61-E65 IonicContact CZ-OE2 3.38Å; R61-E65 IonicContact NH1-OE1 2.66Å; R61-E65 PolarHBondContact NH1-OE1 2.94Å; R61-E65 IonicContact NH1-OE2 2.63Å; R61-E65 PolarHBondContact NH1-OE2 3.45Å; R61-E65 VanDerWaalsContact NH2-CD 3.31Å; R61-E65 IonicContact NH2-OE1 2.77Å; R61-E65 PolarHBondContact NH2-OE1 3.28Å; R61-E65 IonicContact NH2-OE2 3.19Å; R61-E65 WeakPolarHBondContact O-CB 3.4Å; R61-E65 PolarHBondContact O-N 3.47Å; I63-E65 VanDerWaalsContact C-N 3.34Å; I63-E65 PolarHBondContact O-N 3.49Å; E65-L67 PolarHBondContact O-N 2.87Å; E65-A68 WeakPolarHBondContact O-CB 3.47Å; E65-A68 PolarHBondContact O-N 3.38Å; E65-L69 HydrophobicContact CG-CD1 3.7Å; E65-L69 HydrophobicContact CG-CG 4.17Å; E65-L69 WeakPolarHBondContact O-CB 3.05Å; E65-L69 VanDerWaalsContact O-CG 3.28Å; E65-L69 WeakPolarHBondContact O-CG 3.14Å; E65-L69 PolarHBondContact O-N 2.77Å; E65-F367 HydrophobicContact CB-CE2 4.47Å; E65-F367 HydrophobicContact CG-CD2 4.2Å; E65-F367 HydrophobicContact CG-CE2 3.86Å; E65-F367 HydrophobicContact CG-CZ 4.42Å; E65-F367 WeakPolarHBondContact OE1-CD2 3.43Å |
| 66 | R | 97.3 | Very high | 95.9 | Very high | 65 Ų | 65 | 41.9 Ų | 41.9 | 25% | 0.245 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.2 | -43 | 173.7 | -75.7 | -175.6 | 66.4 | -157.8 | -7 | 111.2 | R62 I63 L69 C70 M134 D164 S166 | R62-R66 WeakPolarHBondContact O-CG 3.18Å; R62-R66 PolarHBondContact O-N 3.24Å; R62-R66 VanDerWaalsContact O-N 3.09Å; I63-R66 PolarHBondContact O-N 3.06Å; R66-L69 PolarHBondContact O-N 3.28Å; R66-C70 PolarHBondContact O-N 3.31Å; R66-C70 PolarHBondContact O-SG 3.38Å; R66-M134 HydrophobicContact CB-CE 3.73Å; R66-M134 PolarHBondContact NH2-O 2.84Å; R66-D164 IonicContact CZ-OD2 3.59Å; R66-D164 IonicContact NH1-OD1 3.63Å; R66-D164 PolarHBondContact NH1-OD1 3.29Å; R66-D164 IonicContact NH1-OD2 2.76Å; R66-D164 PolarHBondContact NH1-OD2 3Å; R66-S166 PolarHBondContact NH1-OG 3.41Å |
| 67 | L | 97.7 | Very high | 96.1 | Very high | 7 Ų | 7 | 41.6 Ų | 41.6 | 4% | 0.037 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.8 | -46.8 | 173.2 | -70.5 | 168.3 | 0 | 0 | 0 | 111.3 | I63 L64 E65 L69 C70 Q73 L77 L131 M134 L159 | I63-L67 HydrophobicContact CG2-CD1 4.19Å; I63-L67 WeakPolarHBondContact O-CG 3.48Å; I63-L67 PolarHBondContact O-N 3.32Å; L64-L67 PolarHBondContact O-N 2.88Å; E65-L67 PolarHBondContact O-N 2.87Å; L67-L69 PolarHBondContact O-N 2.88Å; L67-C70 WeakPolarHBondContact O-CB 3.38Å; L67-C70 PolarHBondContact O-N 3.29Å; L67-C70 VanDerWaalsContact O-N 3.16Å; L67-Q73 PolarHBondContact O-NE2 2.9Å; L67-Q73 PolarHBondContact O-OE1 3.38Å; L67-L77 HydrophobicContact CD1-CD1 4.26Å; L67-L77 HydrophobicContact CD2-CD1 3.62Å; L67-L131 HydrophobicContact CD1-CD2 4.18Å; L67-L131 HydrophobicContact CD2-CD2 4.25Å; L67-M134 HydrophobicContact CD2-CE 4.44Å; L67-M134 HydrophobicContact CD2-SD 3.58Å; L67-M134 VanDerWaalsContact CD2-SD 3.58Å; L67-M134 HydrophobicContact CG-SD 4.43Å; L67-L159 HydrophobicContact CD1-CD1 3.53Å |
| 68 | A | 96.5 | Very high | 96.2 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 3% | 0.033 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.9 | -29 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L64 E65 Q73 F367 H369 | L64-A68 WeakPolarHBondContact O-CB 3.36Å; L64-A68 PolarHBondContact O-N 2.7Å; E65-A68 WeakPolarHBondContact O-CB 3.47Å; E65-A68 PolarHBondContact O-N 3.38Å; A68-Q73 PolarHBondContact O-NE2 3.44Å; A68-F367 HydrophobicContact CB-CE1 3.74Å; A68-F367 HydrophobicContact CB-CZ 3.63Å; A68-H369 PolarHBondContact O-NE2 2.83Å |
| 69 | L | 95.9 | Very high | 96.3 | Very high | 100 Ų | 100 | 41.2 Ų | 41.2 | 52% | 0.524 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -0.4 | -178.4 | -64 | 176.8 | 0 | 0 | 0 | 113.7 | E65 R66 L67 F367 P370 | E65-L69 HydrophobicContact CG-CD1 3.7Å; E65-L69 HydrophobicContact CG-CG 4.17Å; E65-L69 WeakPolarHBondContact O-CB 3.05Å; E65-L69 VanDerWaalsContact O-CG 3.28Å; E65-L69 WeakPolarHBondContact O-CG 3.14Å; E65-L69 PolarHBondContact O-N 2.77Å; R66-L69 PolarHBondContact O-N 3.28Å; L67-L69 PolarHBondContact O-N 2.88Å; L69-F367 HydrophobicContact CD2-CE2 4.3Å; L69-F367 HydrophobicContact CD2-CZ 4.39Å; L69-P370 HydrophobicContact CD2-CG 3.76Å |
| 70 | C | 94.8 | Very high | 96.4 | Very high | 38 Ų | 38 | 39.1 Ų | 39.1 | 26% | 0.257 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -71.6 | 143.9 | 172.8 | -77.1 | 0 | 0 | 0 | 0 | 111.3 | R66 L67 F72 Q73 M134 | R66-C70 PolarHBondContact O-N 3.31Å; R66-C70 PolarHBondContact O-SG 3.38Å; L67-C70 WeakPolarHBondContact O-CB 3.38Å; L67-C70 PolarHBondContact O-N 3.29Å; L67-C70 VanDerWaalsContact O-N 3.16Å; C70-F72 PolarHBondContact O-N 3.5Å; C70-Q73 PolarHBondContact O-OE1 3.16Å; C70-M134 WeakPolarHBondContact SG-CE 3.2Å |
| 71 | D | 91.2 | Very high | 96.4 | Very high | 180 Ų | 180 | 39.2 Ų | 39.2 | 96% | 0.963 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -61 | -34.7 | 174.9 | -64.4 | -33.4 | 0 | 0 | 0 | 112 | ||
| 72 | F | 92.8 | Very high | 96.4 | Very high | 129 Ų | 129 | 39.3 Ų | 39.3 | 57% | 0.566 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -105.2 | 117.1 | 177.6 | 176.1 | -101.9 | 0 | 0 | 0 | 110.7 | C70 H130 | C70-F72 PolarHBondContact O-N 3.5Å; F72-H130 AromaticContact CD1-CE1 3.75Å; F72-H130 AromaticContact CD1-ND1 3.61Å; F72-H130 AromaticContact CE1-ND1 3.92Å; F72-H130 PolarHBondContact O-CE1 3.13Å |
| 73 | Q | 93.4 | Very high | 96.4 | Very high | 52 Ų | 52 | 35.4 Ų | 35.4 | 24% | 0.243 | 18% | 0.18 | C | C | . | . | trans | -88.4 | 110.6 | 173.4 | -60.7 | -58.9 | 61.4 | 0 | 0 | 111.1 | L67 A68 C70 M79 H369 | L67-Q73 PolarHBondContact O-NE2 2.9Å; L67-Q73 PolarHBondContact O-OE1 3.38Å; A68-Q73 PolarHBondContact O-NE2 3.44Å; C70-Q73 PolarHBondContact O-OE1 3.16Å; Q73-M79 HydrophobicContact CB-CE 4.09Å; Q73-M79 HydrophobicContact CG-CE 4.19Å; Q73-H369 PolarHBondContact NE2-NE2 3.16Å | ||
| 74 | S | 96 | Very high | 96.3 | Very high | 13 Ų | 13 | 35.6 Ų | 35.6 | 9% | 0.091 | 18% | 0.181 | C | C | . | . | trans | -64.7 | 126.1 | 173.7 | -179 | 0 | 0 | 0 | 0 | 110.1 | F76 | S74-F76 PolarHBondContact O-N 2.85Å; S74-F76 PolarHBondContact OG-N 3.32Å | ||
| 75 | P | 96.9 | Very high | 96.1 | Very high | 39 Ų | 39 | 36.7 Ų | 36.7 | 25% | 0.253 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -18.4 | 174.4 | 30.4 | -33.9 | 0 | 0 | 0 | 111.1 | L77 Y149 R283 | P75-L77 PolarHBondContact O-N 2.78Å; P75-Y149 PolarHBondContact O-OH 3.26Å; P75-R283 VanDerWaalsContact C-NH2 3.29Å; P75-R283 HydrophobicContact CG-CG 4.46Å; P75-R283 PolarHBondContact O-NH2 2.84Å |
| 76 | F | 98.4 | Very high | 95.7 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.009 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 13.8 | -175.1 | -55.4 | -71.5 | 0 | 0 | 0 | 114.4 | S74 E123 C126 V154 F155 V156 A280 G281 R283 | S74-F76 PolarHBondContact O-N 2.85Å; S74-F76 PolarHBondContact OG-N 3.32Å; F76-E123 HydrophobicContact CD1-CB 3.71Å; F76-E123 HydrophobicContact CD1-CG 4.31Å; F76-E123 HydrophobicContact CE1-CB 3.6Å; F76-E123 HydrophobicContact CE1-CG 3.68Å; F76-E123 HydrophobicContact CZ-CB 4.46Å; F76-E123 HydrophobicContact CZ-CG 4.32Å; F76-C126 HydrophobicContact CD2-CB 3.42Å; F76-C126 VanDerWaalsContact CD2-CB 3.42Å; F76-C126 HydrophobicContact CE2-CB 3.72Å; F76-C126 HydrophobicContact CG-CB 4.1Å; F76-V154 VanDerWaalsContact CD1-O 3.25Å; F76-V154 WeakPolarHBondContact CD1-O 3.34Å; F76-F155 WeakPolarHBondContact O-CA 3.19Å; F76-F155 WeakPolarHBondContact O-CB 3.07Å; F76-V156 PolarHBondContact O-N 2.84Å; F76-A280 WeakPolarHBondContact CE2-O 3.37Å; F76-A280 WeakPolarHBondContact CZ-O 3.45Å; F76-G281 WeakPolarHBondContact CE2-O 3.28Å; F76-R283 HydrophobicContact CE1-CG 3.85Å; F76-R283 HydrophobicContact CZ-CG 3.57Å |
| 77 | L | 98.2 | Very high | 95.1 | Very high | 6 Ų | 6 | 41 Ų | 41 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -132.1 | 160.7 | 176.6 | -67.2 | 175.9 | 0 | 0 | 0 | 110.7 | L67 P75 H130 L131 V156 | L67-L77 HydrophobicContact CD1-CD1 4.26Å; L67-L77 HydrophobicContact CD2-CD1 3.62Å; P75-L77 PolarHBondContact O-N 2.78Å; L77-H130 HydrophobicContact CD1-CB 3.88Å; L77-L131 HydrophobicContact CD1-CD2 3.82Å; L77-L131 HydrophobicContact CD1-CG 3.86Å; L77-L131 HydrophobicContact CD2-CD1 3.86Å; L77-L131 HydrophobicContact CD2-CD2 4.12Å; L77-L131 HydrophobicContact CD2-CG 3.78Å; L77-V156 HydrophobicContact CD2-CB 4.18Å |
| 78 | P | 96.8 | Very high | 94.5 | Very high | 12 Ų | 12 | 43 Ų | 43 | 8% | 0.078 | 22% | 0.22 | C | C | . | . | trans | -69.6 | 137.3 | 179.5 | -14.2 | 32.2 | 0 | 0 | 0 | 110.1 | L64 L94 F155 V156 | L64-P78 HydrophobicContact CD2-CB 3.91Å; L64-P78 HydrophobicContact CD2-CG 4.39Å; P78-L94 HydrophobicContact CB-CD2 4.43Å; P78-F155 HydrophobicContact CG-CD2 4.3Å; P78-F155 HydrophobicContact CG-CE2 4.41Å; P78-V156 VanDerWaalsContact CD-O 3.23Å; P78-V156 WeakPolarHBondContact CD-O 3.47Å | ||
| 79 | M | 96.7 | Very high | 94.2 | Very high | 26 Ų | 26 | 43.3 Ų | 43.3 | 13% | 0.128 | 22% | 0.221 | C | C | . | . | trans | -100.7 | 116.3 | 173.5 | 178.8 | -178.1 | -73.1 | 0 | 0 | 109 | Q73 C81 L94 R95 | Q73-M79 HydrophobicContact CB-CE 4.09Å; Q73-M79 HydrophobicContact CG-CE 4.19Å; M79-C81 PolarHBondContact O-N 3.35Å; M79-L94 WeakPolarHBondContact O-CA 3.43Å; M79-R95 HydrophobicContact CB-CB 4.12Å; M79-R95 PolarHBondContact O-N 2.96Å; M79-R95 VanDerWaalsContact O-N 3.07Å; M79-R95 PolarHBondContact SD-NH2 2.96Å | ||
| 80 | L | 97.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 109 | 172.8 | -178.9 | 68.4 | 0 | 0 | 0 | 110.1 | L64 Y82 F92 L94 F367 H369 | L64-L80 HydrophobicContact CB-CB 3.94Å; L64-L80 HydrophobicContact CB-CD2 3.9Å; L64-L80 HydrophobicContact CB-CG 4.41Å; L64-L80 HydrophobicContact CD1-CD1 4.37Å; L80-Y82 WeakPolarHBondContact CD1-O 3.17Å; L80-F92 HydrophobicContact CD1-CB 3.76Å; L80-F92 HydrophobicContact CD1-CD1 4.1Å; L80-F92 HydrophobicContact CD1-CG 4Å; L80-L94 HydrophobicContact CB-CD2 4.32Å; L80-L94 HydrophobicContact CD1-CD2 3.97Å; L80-F367 HydrophobicContact CD2-CD1 3.82Å; L80-F367 HydrophobicContact CD2-CE1 4.24Å; L80-F367 HydrophobicContact CD2-CG 4.45Å; L80-F367 HydrophobicContact CG-CD1 4.1Å; L80-F367 HydrophobicContact CG-CE1 4.42Å; L80-H369 WeakPolarHBondContact O-CB 2.98Å; L80-H369 PolarHBondContact O-CD2 3.07Å; L80-H369 VanDerWaalsContact O-CD2 3.24Å |
| 81 | C | 96.7 | Very high | 94.2 | Very high | 5 Ų | 5 | 36.8 Ų | 36.8 | 3% | 0.034 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -46.7 | 177.2 | -62.2 | 0 | 0 | 0 | 0 | 110.6 | Y41 M79 V93 H369 L372 | Y41-C81 HydrophobicContact CD1-CB 4.4Å; Y41-C81 HydrophobicContact CE1-CB 4.1Å; Y41-C81 VanDerWaalsContact CE1-SG 3.53Å; M79-C81 PolarHBondContact O-N 3.35Å; C81-V93 HydrophobicContact CB-CG1 4.43Å; C81-V93 WeakPolarHBondContact CB-O 3.48Å; C81-V93 PolarHBondContact N-O 3.44Å; C81-H369 WeakPolarHBondContact O-CB 3.37Å; C81-H369 PolarHBondContact O-N 3.17Å; C81-L372 HydrophobicContact CB-CD1 3.63Å |
| 82 | Y | 96.8 | Very high | 94.5 | Very high | 11 Ų | 11 | 28.2 Ų | 28.2 | 4% | 0.043 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 151.1 | 177.7 | -50.2 | -89.7 | 0 | 0 | 0 | 110.6 | P7 F12 D36 L80 V93 F367 I368 L372 | P7-Y82 HydrophobicContact CB-CD1 3.79Å; P7-Y82 HydrophobicContact CB-CG 4.25Å; P7-Y82 HydrophobicContact CG-CD1 4.36Å; F12-Y82 AromaticContact CZ-CD2 3.94Å; F12-Y82 HydrophobicContact CZ-CD2 3.94Å; F12-Y82 HydrophobicContact CZ-CE2 4.2Å; F12-Y82 HydrophobicContact CZ-CG 4.4Å; D36-Y82 VanDerWaalsContact CG-OH 3.25Å; D36-Y82 PolarHBondContact OD1-OH 2.77Å; D36-Y82 PolarHBondContact OD2-OH 3.22Å; D36-Y82 VanDerWaalsContact OD2-OH 3.07Å; L80-Y82 WeakPolarHBondContact CD1-O 3.17Å; Y82-V93 HydrophobicContact CD2-CB 3.86Å; Y82-V93 HydrophobicContact CD2-CG1 3.84Å; Y82-V93 HydrophobicContact CD2-CG2 4.36Å; Y82-V93 HydrophobicContact CG-CB 4.36Å; Y82-V93 PolarHBondContact N-O 2.92Å; Y82-V93 VanDerWaalsContact N-O 3.16Å; Y82-V93 PolarHBondContact O-N 3.4Å; Y82-F367 VanDerWaalsContact CA-O 3.26Å; Y82-F367 WeakPolarHBondContact CA-O 3.48Å; Y82-I368 HydrophobicContact CD1-CB 4.3Å; Y82-I368 HydrophobicContact CD1-CG1 4.01Å; Y82-I368 HydrophobicContact CD1-CG2 4.04Å; Y82-I368 HydrophobicContact CE1-CB 4.42Å; Y82-I368 HydrophobicContact CE1-CG1 4.28Å; Y82-I368 HydrophobicContact CE1-CG2 3.7Å; Y82-L372 HydrophobicContact CD2-CD1 4.46Å; Y82-L372 HydrophobicContact CE1-CD1 4.37Å; Y82-L372 HydrophobicContact CE2-CD1 3.71Å |
| 83 | S | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 144.8 | 159.3 | 54.4 | 0 | 0 | 0 | 0 | 110.1 | P7 R61 A91 F365 N366 F367 | P7-S83 WeakPolarHBondContact CG-O 3.38Å; R61-S83 WeakPolarHBondContact CD-OG 3.41Å; R61-S83 PolarHBondContact NE-OG 3.18Å; S83-A91 CarbonylContact C-O 3.6Å; S83-A91 VanDerWaalsContact CA-O 3.3Å; S83-A91 WeakPolarHBondContact CA-O 3.35Å; S83-F365 WeakPolarHBondContact CB-O 3.31Å; S83-F365 PolarHBondContact OG-O 3.18Å; S83-N366 VanDerWaalsContact O-CA 3.3Å; S83-N366 WeakPolarHBondContact O-CA 3.47Å; S83-F367 PolarHBondContact N-O 3.41Å; S83-F367 PolarHBondContact O-N 2.8Å; S83-F367 WeakPolarHBondContact OG-CB 3.4Å; S83-F367 PolarHBondContact OG-N 3.38Å |
| 84 | M | 95 | Very high | 94.9 | Very high | 5 Ų | 5 | 20.7 Ų | 20.7 | 3% | 0.025 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 130.9 | -171.7 | -71.5 | 170.5 | -71.4 | 0 | 0 | 110.2 | P7 P9 F12 L43 S90 A91 V93 F318 F365 N366 | P7-M84 HydrophobicContact CB-CG 3.7Å; P7-M84 HydrophobicContact CB-SD 3.94Å; P7-M84 HydrophobicContact CG-CG 3.63Å; P7-M84 WeakPolarHBondContact O-CG 3.31Å; P9-M84 HydrophobicContact CG-SD 4.5Å; F12-M84 HydrophobicContact CE2-CE 4.12Å; F12-M84 HydrophobicContact CE2-SD 4.22Å; L43-M84 HydrophobicContact CD1-CE 4.24Å; M84-S90 CarbonylContact O-C 3.52Å; M84-S90 WeakPolarHBondContact O-CA 3.22Å; M84-A91 PolarHBondContact N-O 2.83Å; M84-A91 PolarHBondContact O-N 2.65Å; M84-V93 HydrophobicContact CE-CG2 3.49Å; M84-V93 VanDerWaalsContact CE-CG2 3.49Å; M84-F318 HydrophobicContact CE-CE1 3.76Å; M84-F365 WeakPolarHBondContact O-CD1 3.26Å; M84-F365 WeakPolarHBondContact O-CE1 3.49Å; M84-N366 VanDerWaalsContact CA-OD1 3.27Å; M84-N366 WeakPolarHBondContact CA-OD1 3.46Å |
| 85 | W | 94 | Very high | 94.8 | Very high | 24 Ų | 24 | 23.2 Ų | 23.2 | 9% | 0.091 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 110 | 165.8 | 174.5 | -108.3 | 0 | 0 | 0 | 107.6 | L48 Y88 S89 L358 D359 F362 F365 N366 | L48-W85 HydrophobicContact CD1-CH2 3.66Å; L48-W85 HydrophobicContact CD1-CZ3 3.51Å; W85-Y88 HydrophobicContact CH2-CD1 4.02Å; W85-Y88 AromaticContact CZ2-CD1 3.78Å; W85-Y88 HydrophobicContact CZ2-CD1 3.78Å; W85-Y88 HydrophobicContact CZ2-CE1 4.47Å; W85-S89 WeakPolarHBondContact CA-O 3.4Å; W85-L358 HydrophobicContact CH2-CB 4.34Å; W85-L358 HydrophobicContact CZ2-CB 4.09Å; W85-D359 PolarHBondContact NE1-OD1 2.97Å; W85-F362 HydrophobicContact CB-CB 4.22Å; W85-F362 HydrophobicContact CB-CD1 4.44Å; W85-F362 HydrophobicContact CD2-CB 3.52Å; W85-F362 AromaticContact CD2-CD1 3.74Å; W85-F362 HydrophobicContact CD2-CD1 3.74Å; W85-F362 AromaticContact CD2-CG 3.71Å; W85-F362 HydrophobicContact CD2-CG 3.71Å; W85-F362 AromaticContact CE2-CG 3.95Å; W85-F362 HydrophobicContact CE3-CB 4.15Å; W85-F362 AromaticContact CE3-CD1 3.46Å; W85-F362 HydrophobicContact CE3-CD1 3.46Å; W85-F362 VanDerWaalsContact CE3-CD1 3.46Å; W85-F362 AromaticContact CE3-CE1 3.94Å; W85-F362 HydrophobicContact CE3-CE1 3.94Å; W85-F362 AromaticContact CE3-CG 3.81Å; W85-F362 HydrophobicContact CE3-CG 3.81Å; W85-F362 HydrophobicContact CG-CB 3.56Å; W85-F362 HydrophobicContact CG-CD1 4.21Å; W85-F362 HydrophobicContact CG-CG 4.19Å; W85-F362 HydrophobicContact CH2-CD1 4.5Å; W85-F362 HydrophobicContact CH2-CD2 4.21Å; W85-F362 HydrophobicContact CH2-CE2 4.43Å; W85-F362 HydrophobicContact CH2-CG 4.24Å; W85-F362 HydrophobicContact CZ2-CB 4.22Å; W85-F362 HydrophobicContact CZ2-CD2 4.31Å; W85-F362 HydrophobicContact CZ2-CG 4.21Å; W85-F362 AromaticContact CZ3-CD1 3.89Å; W85-F362 HydrophobicContact CZ3-CD1 3.89Å; W85-F362 HydrophobicContact CZ3-CD2 4.36Å; W85-F362 HydrophobicContact CZ3-CE1 4.02Å; W85-F362 HydrophobicContact CZ3-CE2 4.45Å; W85-F362 HydrophobicContact CZ3-CG 4.09Å; W85-F362 HydrophobicContact CZ3-CZ 4.29Å; W85-F365 HydrophobicContact CB-CB 3.85Å; W85-F365 HydrophobicContact CB-CD1 3.73Å; W85-F365 HydrophobicContact CB-CG 4.05Å; W85-N366 PolarHBondContact N-OD1 2.82Å |
| 86 | E | 89 | Confident | 94.5 | Very high | 85 Ų | 85 | 23.3 Ų | 23.3 | 40% | 0.397 | 11% | 0.111 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 133.8 | 177.5 | -168.9 | -175.9 | -166.3 | 0 | 0 | 109.6 | P9 Y88 S89 | P9-E86 WeakPolarHBondContact CD-OE2 3.41Å; P9-E86 WeakPolarHBondContact CG-OE2 3.43Å; E86-Y88 VanDerWaalsContact C-N 3.27Å; E86-Y88 PolarHBondContact O-N 2.84Å; E86-S89 PolarHBondContact N-O 3.14Å; E86-S89 VanDerWaalsContact N-O 3.09Å; E86-S89 WeakPolarHBondContact O-CB 3.06Å; E86-S89 PolarHBondContact O-N 3.04Å |
| 87 | N | 85.4 | Confident | 94.1 | Very high | 123 Ų | 123 | 23.8 Ų | 23.8 | 66% | 0.658 | 12% | 0.116 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 45.8 | 177.6 | -60.3 | -45.5 | 0 | 0 | 0 | 113 | S89 P320 | N87-S89 PolarHBondContact O-N 3.33Å; N87-S89 VanDerWaalsContact O-N 3.07Å; N87-P320 WeakPolarHBondContact O-CG 3.46Å |
| 88 | Y | 85.4 | Confident | 93.7 | Very high | 50 Ų | 50 | 24.7 Ų | 24.7 | 20% | 0.196 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | 10.3 | -176.3 | -50.5 | -68.7 | 0 | 0 | 0 | 115.9 | W85 E86 E355 L358 | W85-Y88 HydrophobicContact CH2-CD1 4.02Å; W85-Y88 AromaticContact CZ2-CD1 3.78Å; W85-Y88 HydrophobicContact CZ2-CD1 3.78Å; W85-Y88 HydrophobicContact CZ2-CE1 4.47Å; E86-Y88 VanDerWaalsContact C-N 3.27Å; E86-Y88 PolarHBondContact O-N 2.84Å; Y88-E355 HydrophobicContact CE1-CB 4.14Å; Y88-E355 HydrophobicContact CE1-CG 4Å; Y88-E355 HydrophobicContact CE2-CG 4.35Å; Y88-E355 WeakPolarHBondContact OH-CB 3.3Å; Y88-E355 WeakPolarHBondContact OH-CG 3.19Å; Y88-E355 PolarHBondContact OH-OE2 3.19Å; Y88-L358 HydrophobicContact CD1-CD1 4.43Å |
| 89 | S | 89.6 | Confident | 93.2 | Very high | 9 Ų | 9 | 25.3 Ų | 25.3 | 6% | 0.063 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 124.3 | 171.8 | -162.2 | 0 | 0 | 0 | 0 | 109.5 | W85 E86 N87 F318 K319 | W85-S89 WeakPolarHBondContact CA-O 3.4Å; E86-S89 PolarHBondContact N-O 3.14Å; E86-S89 VanDerWaalsContact N-O 3.09Å; E86-S89 WeakPolarHBondContact O-CB 3.06Å; E86-S89 PolarHBondContact O-N 3.04Å; N87-S89 PolarHBondContact O-N 3.33Å; N87-S89 VanDerWaalsContact O-N 3.07Å; S89-F318 WeakPolarHBondContact CB-O 3.29Å; S89-F318 PolarHBondContact OG-O 2.9Å; S89-K319 PolarHBondContact OG-O 3.49Å |
| 90 | S | 93.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 132.1 | 171.5 | 43.4 | 0 | 0 | 0 | 0 | 110.2 | F46 M84 | F46-S90 PolarHBondContact N-O 3.47Å; M84-S90 CarbonylContact O-C 3.52Å; M84-S90 WeakPolarHBondContact O-CA 3.22Å |
| 91 | A | 96.8 | Very high | 92.6 | Very high | 2 Ų | 2 | 25.3 Ų | 25.3 | 2% | 0.017 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 148.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | L43 K44 R45 S83 M84 | L43-A91 HydrophobicContact CD1-CB 3.77Å; L43-A91 HydrophobicContact CG-CB 4.4Å; K44-A91 CarbonylContact O-C 3.6Å; K44-A91 VanDerWaalsContact O-CA 3.3Å; K44-A91 WeakPolarHBondContact O-CA 3.32Å; R45-A91 HydrophobicContact CB-CB 4.47Å; S83-A91 CarbonylContact C-O 3.6Å; S83-A91 VanDerWaalsContact CA-O 3.3Å; S83-A91 WeakPolarHBondContact CA-O 3.35Å; M84-A91 PolarHBondContact N-O 2.83Å; M84-A91 PolarHBondContact O-N 2.65Å |
| 92 | F | 97.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 136.9 | 167.4 | -55.5 | -28.8 | 0 | 0 | 0 | 109.9 | L43 K44 F46 V57 E60 R61 L64 L80 L94 F365 | L43-F92 CarbonylContact C-O 3.47Å; L43-F92 VanDerWaalsContact CA-O 3.31Å; L43-F92 WeakPolarHBondContact CA-O 3.12Å; K44-F92 HydrophobicContact CB-CB 4.4Å; K44-F92 HydrophobicContact CD-CD2 4.49Å; K44-F92 PolarHBondContact N-O 3.06Å; K44-F92 PolarHBondContact O-N 3.24Å; F46-F92 HydrophobicContact CE1-CE2 4.32Å; F46-F92 HydrophobicContact CE2-CD1 4.18Å; F46-F92 AromaticContact CE2-CD2 3.38Å; F46-F92 HydrophobicContact CE2-CD2 3.38Å; F46-F92 HydrophobicContact CE2-CE1 4.13Å; F46-F92 AromaticContact CE2-CE2 3.3Å; F46-F92 HydrophobicContact CE2-CE2 3.3Å; F46-F92 AromaticContact CE2-CG 3.81Å; F46-F92 HydrophobicContact CE2-CG 3.81Å; F46-F92 AromaticContact CE2-CZ 3.68Å; F46-F92 HydrophobicContact CE2-CZ 3.68Å; F46-F92 AromaticContact CZ-CD2 3.48Å; F46-F92 HydrophobicContact CZ-CD2 3.48Å; F46-F92 VanDerWaalsContact CZ-CD2 3.48Å; F46-F92 AromaticContact CZ-CE2 3.17Å; F46-F92 HydrophobicContact CZ-CE2 3.17Å; F46-F92 HydrophobicContact CZ-CG 4.36Å; F46-F92 AromaticContact CZ-CZ 3.87Å; F46-F92 HydrophobicContact CZ-CZ 3.87Å; V57-F92 HydrophobicContact CG2-CE1 4.34Å; V57-F92 HydrophobicContact CG2-CZ 3.83Å; E60-F92 HydrophobicContact CB-CE2 3.86Å; E60-F92 HydrophobicContact CB-CZ 4.27Å; E60-F92 HydrophobicContact CG-CE2 3.74Å; R61-F92 HydrophobicContact CB-CE1 3.71Å; R61-F92 HydrophobicContact CB-CZ 3.61Å; R61-F92 HydrophobicContact CG-CE1 4.19Å; L64-F92 HydrophobicContact CD1-CD2 3.65Å; L64-F92 HydrophobicContact CD1-CE2 3.79Å; L64-F92 HydrophobicContact CD1-CG 4.29Å; L80-F92 HydrophobicContact CD1-CB 3.76Å; L80-F92 HydrophobicContact CD1-CD1 4.1Å; L80-F92 HydrophobicContact CD1-CG 4Å; F92-L94 HydrophobicContact CB-CD1 4.46Å; F92-L94 HydrophobicContact CB-CD2 4.22Å; F92-L94 HydrophobicContact CB-CG 4.06Å; F92-F365 HydrophobicContact CD1-CE1 4.34Å; F92-F365 HydrophobicContact CD1-CZ 4.01Å; F92-F365 AromaticContact CE1-CE1 3.98Å; F92-F365 HydrophobicContact CE1-CE1 3.98Å; F92-F365 AromaticContact CE1-CE2 3.83Å; F92-F365 HydrophobicContact CE1-CE2 3.83Å; F92-F365 AromaticContact CE1-CZ 3.27Å; F92-F365 HydrophobicContact CE1-CZ 3.27Å; F92-F365 HydrophobicContact CZ-CE2 4.36Å; F92-F365 HydrophobicContact CZ-CZ 4.06Å |
| 93 | V | 97.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 110.9 | 165.3 | -176.5 | 0 | 0 | 0 | 0 | 106.6 | F12 I29 Y41 L43 C81 Y82 M84 | F12-V93 HydrophobicContact CE1-CG1 4.07Å; F12-V93 HydrophobicContact CE1-CG2 4.31Å; F12-V93 HydrophobicContact CE2-CG2 4.37Å; F12-V93 HydrophobicContact CZ-CG1 4.36Å; F12-V93 HydrophobicContact CZ-CG2 3.99Å; I29-V93 HydrophobicContact CD1-CB 4.36Å; I29-V93 HydrophobicContact CD1-CG1 3.73Å; I29-V93 HydrophobicContact CD1-CG2 3.81Å; Y41-V93 VanDerWaalsContact CB-CG1 3.41Å; Y41-V93 HydrophobicContact CD1-CG1 4.09Å; Y41-V93 HydrophobicContact CD2-CG1 3.89Å; Y41-V93 HydrophobicContact CG-CG1 3.54Å; L43-V93 HydrophobicContact CD1-CG2 3.85Å; C81-V93 HydrophobicContact CB-CG1 4.43Å; C81-V93 WeakPolarHBondContact CB-O 3.48Å; C81-V93 PolarHBondContact N-O 3.44Å; Y82-V93 HydrophobicContact CD2-CB 3.86Å; Y82-V93 HydrophobicContact CD2-CG1 3.84Å; Y82-V93 HydrophobicContact CD2-CG2 4.36Å; Y82-V93 HydrophobicContact CG-CB 4.36Å; Y82-V93 PolarHBondContact N-O 2.92Å; Y82-V93 VanDerWaalsContact N-O 3.16Å; Y82-V93 PolarHBondContact O-N 3.4Å; M84-V93 HydrophobicContact CE-CG2 3.49Å; M84-V93 VanDerWaalsContact CE-CG2 3.49Å |
| 94 | L | 97.5 | Very high | 92 | Very high | 22 Ų | 22 | 25.3 Ų | 25.3 | 12% | 0.115 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 152.7 | -175.4 | -59.9 | 167.7 | 0 | 0 | 0 | 109.5 | Y41 A42 K44 L64 P78 M79 L80 F92 E96 | Y41-L94 WeakPolarHBondContact CA-O 3.21Å; Y41-L94 WeakPolarHBondContact CB-O 3.45Å; A42-L94 HydrophobicContact CB-CB 4.49Å; A42-L94 PolarHBondContact N-O 2.8Å; A42-L94 PolarHBondContact O-N 2.98Å; K44-L94 HydrophobicContact CB-CD1 4.25Å; L64-L94 HydrophobicContact CD1-CD2 4Å; L64-L94 HydrophobicContact CD2-CD2 4.34Å; P78-L94 HydrophobicContact CB-CD2 4.43Å; M79-L94 WeakPolarHBondContact O-CA 3.43Å; L80-L94 HydrophobicContact CB-CD2 4.32Å; L80-L94 HydrophobicContact CD1-CD2 3.97Å; F92-L94 HydrophobicContact CB-CD1 4.46Å; F92-L94 HydrophobicContact CB-CD2 4.22Å; F92-L94 HydrophobicContact CB-CG 4.06Å; L94-E96 PolarHBondContact O-N 3.1Å |
| 95 | R | 94.4 | Very high | 92 | Very high | 66 Ų | 66 | 25 Ų | 25 | 25% | 0.249 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -51 | 134.2 | 166.3 | -178.8 | -178.4 | -68.6 | -121.1 | -3.7 | 110.2 | M79 Y149 L388 | M79-R95 HydrophobicContact CB-CB 4.12Å; M79-R95 PolarHBondContact O-N 2.96Å; M79-R95 VanDerWaalsContact O-N 3.07Å; M79-R95 PolarHBondContact SD-NH2 2.96Å; R95-Y149 HydrophobicContact CG-CE1 4.27Å; R95-L388 VanDerWaalsContact CZ-O 3.26Å; R95-L388 PolarHBondContact NH1-O 3.05Å; R95-L388 PolarHBondContact NH2-O 3.49Å; R95-L388 VanDerWaalsContact NH2-O 3.15Å |
| 96 | E | 89 | Confident | 91.9 | Very high | 42 Ų | 42 | 23.9 Ų | 23.9 | 20% | 0.196 | 13% | 0.126 | C | C | . | . | trans | -68.4 | 136.9 | -177.3 | -152 | -161.2 | 155.7 | 0 | 0 | 111.8 | K40 L94 | K40-E96 WeakPolarHBondContact CB-OE2 3.28Å; L94-E96 PolarHBondContact O-N 3.1Å | ||
| 97 | G | 91.4 | Very high | 91.9 | Very high | 11 Ų | 11 | 20.6 Ų | 20.6 | 11% | 0.113 | 11% | 0.113 | C | C | . | . | trans | -94.9 | -175.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | G99 F148 | G97-G99 PolarHBondContact O-N 3.08Å; G97-F148 CarbonylContact C-O 3.47Å; G97-F148 WeakPolarHBondContact CA-O 3.42Å | ||
| 98 | S | 89.3 | Confident | 92.1 | Very high | 26 Ų | 26 | 18.4 Ų | 18.4 | 18% | 0.182 | 10% | 0.098 | C | C | . | . | trans | -71.5 | -13 | 173.2 | 65.2 | 0 | 0 | 0 | 0 | 114 | C100 F148 | S98-C100 VanDerWaalsContact C-N 3.29Å; S98-C100 PolarHBondContact OG-N 3.44Å; S98-F148 WeakPolarHBondContact CB-O 3.37Å; S98-F148 PolarHBondContact N-O 3.23Å; S98-F148 WeakPolarHBondContact OG-CB 3.37Å; S98-F148 PolarHBondContact OG-O 2.76Å | ||
| 99 | G | 85.6 | Confident | 92.4 | Very high | 24 Ų | 24 | 18.6 Ų | 18.6 | 25% | 0.247 | 10% | 0.104 | C | C | . | . | S | Bend | trans | 83.4 | -5.2 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | G97 H296 | G97-G99 PolarHBondContact O-N 3.08Å; G99-H296 PolarHBondContact O-CD2 3.29Å |
| 100 | C | 90.3 | Very high | 92.5 | Very high | 11 Ų | 11 | 18.3 Ų | 18.3 | 7% | 0.074 | 10% | 0.103 | C | C | . | . | trans | -99.5 | 152 | 173.4 | -63.6 | 0 | 0 | 0 | 0 | 111.7 | S98 D104 F148 L294 | S98-C100 VanDerWaalsContact C-N 3.29Å; S98-C100 PolarHBondContact OG-N 3.44Å; C100-D104 WeakPolarHBondContact CA-OD2 3.36Å; C100-D104 HydrophobicContact CB-CB 4.45Å; C100-F148 HydrophobicContact CB-CD2 4.43Å; C100-F148 PolarHBondContact O-N 3.46Å; C100-L294 HydrophobicContact CB-CB 4.4Å; C100-L294 HydrophobicContact CB-CD1 4.12Å | ||
| 101 | D | 92.8 | Very high | 92.6 | Very high | 15 Ų | 15 | 21 Ų | 21 | 8% | 0.08 | 12% | 0.121 | C | C | . | . | B | Isolated β-bridge | trans | -118.2 | 170.7 | 174.3 | 70.1 | 29.1 | 0 | 0 | 0 | 112.7 | Y103 D104 L105 E144 I146 L147 F148 R297 | D101-Y103 PolarHBondContact O-N 2.7Å; D101-Y103 VanDerWaalsContact OD1-CA 3.28Å; D101-Y103 WeakPolarHBondContact OD1-CA 3.48Å; D101-Y103 WeakPolarHBondContact OD1-CB 3.48Å; D101-Y103 PolarHBondContact OD1-N 3.41Å; D101-D104 PolarHBondContact N-OD2 3.14Å; D101-D104 WeakPolarHBondContact O-CB 3.42Å; D101-D104 PolarHBondContact O-N 3.39Å; D101-D104 VanDerWaalsContact O-N 3.1Å; D101-D104 PolarHBondContact OD1-N 3.27Å; D101-L105 PolarHBondContact O-N 2.87Å; D101-E144 WeakPolarHBondContact OD2-CA 3.39Å; D101-I146 CarbonylContact C-O 3.55Å; D101-I146 VanDerWaalsContact CA-O 3.28Å; D101-I146 WeakPolarHBondContact CA-O 3.44Å; D101-L147 HydrophobicContact CB-CD2 3.59Å; D101-F148 WeakPolarHBondContact O-CE2 3.36Å; D101-R297 IonicContact OD1-CZ 2.73Å; D101-R297 IonicContact OD1-NH2 2.91Å; D101-R297 PolarHBondContact OD1-NH2 2.97Å; D101-R297 VanDerWaalsContact OD1-NH2 3.13Å; D101-R297 IonicContact OD2-CZ 2.93Å; D101-R297 IonicContact OD2-NH2 3.71Å; D101-R297 PolarHBondContact OD2-NH2 2.72Å |
| 102 | L | 95.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63 | -24.6 | 178.9 | -176.3 | 61.6 | 0 | 0 | 0 | 112.3 | L105 L106 L112 Y120 I124 P143 I146 F148 L205 M209 | L102-L105 HydrophobicContact CD1-CB 4.5Å; L102-L105 HydrophobicContact CD1-CD2 3.91Å; L102-L105 PolarHBondContact O-N 3.29Å; L102-L106 VanDerWaalsContact O-CG 3.29Å; L102-L106 WeakPolarHBondContact O-CG 3.28Å; L102-L106 PolarHBondContact O-N 2.92Å; L102-L112 HydrophobicContact CD1-CD1 4.45Å; L102-Y120 HydrophobicContact CD1-CD2 4.38Å; L102-I124 HydrophobicContact CD2-CD1 4.49Å; L102-P143 HydrophobicContact CB-CB 4.23Å; L102-P143 WeakPolarHBondContact CB-O 3.35Å; L102-P143 HydrophobicContact CG-CB 4.37Å; L102-P143 PolarHBondContact N-O 3.34Å; L102-I146 HydrophobicContact CB-CB 3.79Å; L102-I146 HydrophobicContact CB-CG2 4.05Å; L102-I146 HydrophobicContact CD2-CB 4.13Å; L102-I146 HydrophobicContact CD2-CG1 4.22Å; L102-I146 HydrophobicContact CD2-CG2 4.15Å; L102-I146 PolarHBondContact N-O 3.25Å; L102-F148 HydrophobicContact CB-CE2 4.45Å; L102-F148 HydrophobicContact CD1-CZ 4.33Å; L102-L205 HydrophobicContact CD2-CD1 3.95Å; L102-M209 HydrophobicContact CD1-CE 4.38Å; L102-M209 HydrophobicContact CD2-CE 4.13Å; L102-M209 HydrophobicContact CD2-CG 4.31Å; L102-M209 HydrophobicContact CD2-SD 3.92Å |
| 103 | Y | 92.8 | Very high | 92.6 | Very high | 13 Ų | 13 | 24 Ų | 24 | 5% | 0.051 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -70.2 | -38.3 | 173 | -171.7 | -91.2 | 0 | 0 | 0 | 112.3 | D101 L105 L106 C107 P143 E144 R297 F423 R425 | D101-Y103 PolarHBondContact O-N 2.7Å; D101-Y103 VanDerWaalsContact OD1-CA 3.28Å; D101-Y103 WeakPolarHBondContact OD1-CA 3.48Å; D101-Y103 WeakPolarHBondContact OD1-CB 3.48Å; D101-Y103 PolarHBondContact OD1-N 3.41Å; Y103-L105 VanDerWaalsContact C-N 3.29Å; Y103-L105 PolarHBondContact O-N 2.85Å; Y103-L106 PolarHBondContact O-N 2.93Å; Y103-C107 WeakPolarHBondContact CD1-SG 3.36Å; Y103-C107 WeakPolarHBondContact CE1-SG 3.44Å; Y103-C107 WeakPolarHBondContact O-CB 3.35Å; Y103-C107 PolarHBondContact O-N 3.21Å; Y103-C107 PolarHBondContact O-SG 2.96Å; Y103-C107 VanDerWaalsContact O-SG 3.41Å; Y103-P143 HydrophobicContact CD2-CB 4.36Å; Y103-P143 PolarHBondContact N-O 2.81Å; Y103-E144 HydrophobicContact CG-CG 4.4Å; Y103-R297 VanDerWaalsContact CD1-NE 3.35Å; Y103-F423 PolarHBondContact OH-O 3.43Å; Y103-R425 PolarHBondContact OH-O 2.84Å; Y103-R425 VanDerWaalsContact OH-O 3.13Å |
| 104 | D | 90.5 | Very high | 92.6 | Very high | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57 | -46.3 | 173.2 | -65.8 | -48.7 | 0 | 0 | 0 | 110.2 | C100 D101 C107 H108 R297 | C100-D104 WeakPolarHBondContact CA-OD2 3.36Å; C100-D104 HydrophobicContact CB-CB 4.45Å; D101-D104 PolarHBondContact N-OD2 3.14Å; D101-D104 WeakPolarHBondContact O-CB 3.42Å; D101-D104 PolarHBondContact O-N 3.39Å; D101-D104 VanDerWaalsContact O-N 3.1Å; D101-D104 PolarHBondContact OD1-N 3.27Å; D104-C107 PolarHBondContact O-N 3.11Å; D104-H108 WeakPolarHBondContact O-CB 3.49Å; D104-H108 PolarHBondContact O-N 2.91Å; D104-R297 WeakPolarHBondContact OD1-CB 3.16Å; D104-R297 WeakPolarHBondContact OD1-CD 3.33Å; D104-R297 WeakPolarHBondContact OD1-CG 3.49Å; D104-R297 IonicContact OD1-CZ 2.62Å; D104-R297 PolarHBondContact OD1-N 2.85Å; D104-R297 IonicContact OD1-NE 3.24Å; D104-R297 PolarHBondContact OD1-NE 3.44Å; D104-R297 IonicContact OD1-NH2 2.98Å; D104-R297 PolarHBondContact OD1-NH2 2.91Å; D104-R297 IonicContact OD2-NH2 3.86Å |
| 105 | L | 93.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56.7 | -52.9 | 173.9 | 174.8 | 64.4 | 0 | 0 | 0 | 110.9 | D101 L102 Y103 C107 H108 V109 L112 Y120 F148 Y289 L294 | D101-L105 PolarHBondContact O-N 2.87Å; L102-L105 HydrophobicContact CD1-CB 4.5Å; L102-L105 HydrophobicContact CD1-CD2 3.91Å; L102-L105 PolarHBondContact O-N 3.29Å; Y103-L105 VanDerWaalsContact C-N 3.29Å; Y103-L105 PolarHBondContact O-N 2.85Å; L105-C107 VanDerWaalsContact C-N 3.27Å; L105-C107 PolarHBondContact O-N 3.47Å; L105-H108 PolarHBondContact O-N 3.27Å; L105-V109 HydrophobicContact CD1-CB 4.37Å; L105-V109 HydrophobicContact CD1-CG1 3.72Å; L105-V109 HydrophobicContact CD1-CG2 3.68Å; L105-V109 HydrophobicContact CG-CG2 4.05Å; L105-V109 WeakPolarHBondContact O-CG2 3.44Å; L105-V109 PolarHBondContact O-N 3.42Å; L105-L112 HydrophobicContact CD2-CD1 4.03Å; L105-L112 HydrophobicContact CD2-CD2 4.05Å; L105-L112 HydrophobicContact CG-CD2 4.2Å; L105-Y120 HydrophobicContact CD2-CE2 3.69Å; L105-F148 HydrophobicContact CB-CE2 4.21Å; L105-F148 HydrophobicContact CB-CZ 4.25Å; L105-F148 HydrophobicContact CD2-CZ 3.91Å; L105-Y289 HydrophobicContact CD1-CD1 3.98Å; L105-Y289 HydrophobicContact CD1-CD2 3.9Å; L105-Y289 HydrophobicContact CD1-CE1 4.29Å; L105-Y289 HydrophobicContact CD1-CE2 4.22Å; L105-Y289 HydrophobicContact CD1-CG 3.78Å; L105-Y289 HydrophobicContact CD2-CD2 3.78Å; L105-Y289 HydrophobicContact CD2-CE2 4.09Å; L105-Y289 HydrophobicContact CD2-CG 4.39Å; L105-L294 HydrophobicContact CB-CD1 4.45Å; L105-L294 HydrophobicContact CB-CD2 4.1Å; L105-L294 HydrophobicContact CD1-CD2 3.6Å; L105-L294 HydrophobicContact CG-CD2 4.45Å |
| 106 | L | 93.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.8 | -33.6 | -179.5 | -66.9 | 174.1 | 0 | 0 | 0 | 113 | L102 Y103 H108 G110 L112 P143 M209 F423 | L102-L106 VanDerWaalsContact O-CG 3.29Å; L102-L106 WeakPolarHBondContact O-CG 3.28Å; L102-L106 PolarHBondContact O-N 2.92Å; Y103-L106 PolarHBondContact O-N 2.93Å; L106-H108 VanDerWaalsContact C-N 3.33Å; L106-G110 WeakPolarHBondContact CD2-O 3.14Å; L106-G110 WeakPolarHBondContact O-CA 3.4Å; L106-G110 PolarHBondContact O-N 2.62Å; L106-L112 HydrophobicContact CD2-CD1 4.31Å; L106-L112 HydrophobicContact CD2-CD2 4.34Å; L106-L112 HydrophobicContact CD2-CG 3.86Å; L106-P143 HydrophobicContact CD1-CB 4.18Å; L106-P143 HydrophobicContact CD1-CG 4.07Å; L106-M209 HydrophobicContact CD1-CG 4.35Å; L106-M209 HydrophobicContact CD2-CB 4.39Å; L106-M209 HydrophobicContact CD2-CG 4.38Å; L106-F423 HydrophobicContact CB-CD1 3.75Å; L106-F423 HydrophobicContact CB-CD2 4.39Å; L106-F423 HydrophobicContact CB-CE1 3.9Å; L106-F423 HydrophobicContact CB-CG 4Å; L106-F423 HydrophobicContact CB-CZ 4.32Å; L106-F423 HydrophobicContact CD1-CD1 4.17Å; L106-F423 HydrophobicContact CD1-CE1 3.92Å; L106-F423 HydrophobicContact CD2-CE1 4.1Å; L106-F423 HydrophobicContact CD2-CZ 4.14Å; L106-F423 HydrophobicContact CG-CD1 4.44Å; L106-F423 HydrophobicContact CG-CE1 4.19Å; L106-F423 VanDerWaalsContact O-CD2 3.24Å; L106-F423 WeakPolarHBondContact O-CD2 3.16Å |
| 107 | C | 89.6 | Confident | 93.3 | Very high | 16 Ų | 16 | 26.4 Ų | 26.4 | 11% | 0.108 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -70.5 | -30.4 | 173.6 | -77.1 | 0 | 0 | 0 | 0 | 113.1 | Y103 D104 L105 P420 | Y103-C107 WeakPolarHBondContact CD1-SG 3.36Å; Y103-C107 WeakPolarHBondContact CE1-SG 3.44Å; Y103-C107 WeakPolarHBondContact O-CB 3.35Å; Y103-C107 PolarHBondContact O-N 3.21Å; Y103-C107 PolarHBondContact O-SG 2.96Å; Y103-C107 VanDerWaalsContact O-SG 3.41Å; D104-C107 PolarHBondContact O-N 3.11Å; L105-C107 VanDerWaalsContact C-N 3.27Å; L105-C107 PolarHBondContact O-N 3.47Å; C107-P420 WeakPolarHBondContact O-CD 3.31Å |
| 108 | H | 88.7 | Confident | 93.6 | Very high | 76 Ų | 76 | 28.1 Ų | 28.1 | 35% | 0.352 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -80.6 | -56.2 | 179.9 | -172 | 69.5 | 0 | 0 | 0 | 111.8 | D104 L105 L106 E293 | D104-H108 WeakPolarHBondContact O-CB 3.49Å; D104-H108 PolarHBondContact O-N 2.91Å; L105-H108 PolarHBondContact O-N 3.27Å; L106-H108 VanDerWaalsContact C-N 3.33Å; H108-E293 PolarHBondContact NE2-O 3.47Å |
| 109 | V | 91.6 | Very high | 94.1 | Very high | 54 Ų | 54 | 27.9 Ų | 27.9 | 33% | 0.327 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -96.2 | -20 | -172.6 | -51.9 | 0 | 0 | 0 | 0 | 113.8 | L105 L112 Y289 | L105-V109 HydrophobicContact CD1-CB 4.37Å; L105-V109 HydrophobicContact CD1-CG1 3.72Å; L105-V109 HydrophobicContact CD1-CG2 3.68Å; L105-V109 HydrophobicContact CG-CG2 4.05Å; L105-V109 WeakPolarHBondContact O-CG2 3.44Å; L105-V109 PolarHBondContact O-N 3.42Å; V109-L112 HydrophobicContact CG2-CD2 3.39Å; V109-Y289 HydrophobicContact CG1-CD1 4.35Å; V109-Y289 HydrophobicContact CG1-CE1 3.92Å; V109-Y289 HydrophobicContact CG2-CE1 4.44Å |
| 110 | G | 92 | Very high | 94.7 | Very high | 4 Ų | 4 | 26.7 Ų | 26.7 | 4% | 0.041 | 15% | 0.146 | C | C | . | . | trans | 85.4 | -146.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L106 | L106-G110 WeakPolarHBondContact CD2-O 3.14Å; L106-G110 WeakPolarHBondContact O-CA 3.4Å; L106-G110 PolarHBondContact O-N 2.62Å | ||
| 111 | C | 95.6 | Very high | 95.1 | Very high | 55 Ų | 55 | 26.2 Ų | 26.2 | 37% | 0.372 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -66.8 | 137.6 | 178.9 | -62.4 | 0 | 0 | 0 | 0 | 110.5 | M209 V210 | C111-M209 CarbonylContact C-O 3.52Å; C111-M209 VanDerWaalsContact CA-O 3.25Å; C111-M209 WeakPolarHBondContact CA-O 3.47Å; C111-V210 WeakPolarHBondContact CB-O 3.2Å |
| 112 | L | 97.5 | Very high | 95.4 | Very high | 7 Ų | 7 | 25.5 Ų | 25.5 | 4% | 0.037 | 14% | 0.139 | C | C | . | . | P | Polyproline II helix | trans | -82 | 152.1 | 174.9 | -54.2 | -172.7 | 0 | 0 | 0 | 110.9 | L102 L105 L106 V109 N116 T117 Y120 M209 Y289 | L102-L112 HydrophobicContact CD1-CD1 4.45Å; L105-L112 HydrophobicContact CD2-CD1 4.03Å; L105-L112 HydrophobicContact CD2-CD2 4.05Å; L105-L112 HydrophobicContact CG-CD2 4.2Å; L106-L112 HydrophobicContact CD2-CD1 4.31Å; L106-L112 HydrophobicContact CD2-CD2 4.34Å; L106-L112 HydrophobicContact CD2-CG 3.86Å; V109-L112 HydrophobicContact CG2-CD2 3.39Å; L112-N116 HydrophobicContact CB-CB 4.33Å; L112-T117 WeakPolarHBondContact CB-OG1 3.27Å; L112-Y120 HydrophobicContact CD1-CD2 3.95Å; L112-Y120 HydrophobicContact CD1-CE2 4.14Å; L112-M209 HydrophobicContact CD1-CB 4.46Å; L112-M209 HydrophobicContact CD1-CE 3.7Å; L112-M209 PolarHBondContact N-O 2.98Å; L112-Y289 HydrophobicContact CD2-CE2 3.85Å |
| 113 | S | 97.6 | Very high | 95.5 | Very high | 58 Ų | 58 | 25.5 Ų | 25.5 | 41% | 0.406 | 14% | 0.139 | S | C | . | . | P | Polyproline II helix | trans | -64.1 | 155.5 | 168.1 | 74.7 | 0 | 0 | 0 | 0 | 110.3 | N115 N116 T117 | S113-N115 PolarHBondContact O-N 2.78Å; S113-N115 VanDerWaalsContact O-N 3.12Å; S113-N115 PolarHBondContact OG-N 3.1Å; S113-N116 PolarHBondContact O-N 3.24Å; S113-N116 VanDerWaalsContact OG-CG 3.29Å; S113-N116 PolarHBondContact OG-N 3.42Å; S113-N116 VanDerWaalsContact OG-N 3.08Å; S113-N116 PolarHBondContact OG-OD1 2.53Å; S113-T117 WeakPolarHBondContact O-CB 3.49Å; S113-T117 PolarHBondContact O-N 3.24Å; S113-T117 PolarHBondContact O-OG1 3.21Å; S113-T117 VanDerWaalsContact O-OG1 3.13Å |
| 114 | E | 98.3 | Very high | 95.8 | Very high | 44 Ų | 44 | 24.9 Ų | 24.9 | 21% | 0.206 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -56.1 | -30.4 | 174.2 | -67.5 | -163.7 | -159.6 | 0 | 0 | 112.7 | R118 S242 L245 F271 | E114-R118 WeakPolarHBondContact O-CB 3.43Å; E114-R118 PolarHBondContact O-N 2.9Å; E114-S242 WeakPolarHBondContact OE1-CB 3.43Å; E114-S242 PolarHBondContact OE1-N 2.66Å; E114-S242 WeakPolarHBondContact OE2-CB 3.34Å; E114-S242 PolarHBondContact OE2-OG 3.07Å; E114-L245 HydrophobicContact CG-CD2 3.7Å; E114-F271 HydrophobicContact CB-CE2 4.11Å; E114-F271 WeakPolarHBondContact O-CZ 3.45Å |
| 115 | N | 98.1 | Very high | 96.2 | Very high | 104 Ų | 104 | 24.8 Ų | 24.8 | 56% | 0.556 | 14% | 0.136 | S | C | * | . | H | α-helix | trans | -72.6 | -45.8 | 177.7 | -165.8 | 66.7 | 0 | 0 | 0 | 112.6 | S113 T117 R118 F119 | S113-N115 PolarHBondContact O-N 2.78Å; S113-N115 VanDerWaalsContact O-N 3.12Å; S113-N115 PolarHBondContact OG-N 3.1Å; N115-T117 VanDerWaalsContact C-N 3.32Å; N115-R118 WeakPolarHBondContact O-CB 3.44Å; N115-R118 PolarHBondContact O-N 3.19Å; N115-R118 PolarHBondContact OD1-NH1 2.9Å; N115-F119 PolarHBondContact O-N 3.13Å |
| 116 | N | 97.9 | Very high | 96.5 | Very high | 33 Ų | 33 | 25.3 Ų | 25.3 | 18% | 0.176 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -68.4 | -36.5 | 178.4 | -65.4 | 1.9 | 0 | 0 | 0 | 110.7 | L112 S113 F119 Y120 P288 Y289 | L112-N116 HydrophobicContact CB-CB 4.33Å; S113-N116 PolarHBondContact O-N 3.24Å; S113-N116 VanDerWaalsContact OG-CG 3.29Å; S113-N116 PolarHBondContact OG-N 3.42Å; S113-N116 VanDerWaalsContact OG-N 3.08Å; S113-N116 PolarHBondContact OG-OD1 2.53Å; N116-F119 PolarHBondContact O-N 3.48Å; N116-Y120 VanDerWaalsContact O-CD2 3.31Å; N116-Y120 WeakPolarHBondContact O-CD2 3.46Å; N116-Y120 PolarHBondContact O-N 2.78Å; N116-P288 HydrophobicContact CB-CB 4.21Å; N116-P288 HydrophobicContact CB-CG 4.15Å; N116-Y289 HydrophobicContact CB-CE2 4.07Å; N116-Y289 WeakPolarHBondContact ND2-CE2 3.36Å; N116-Y289 PolarHBondContact ND2-OH 3.37Å |
| 117 | T | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.9 | -43.9 | 171.4 | -63.3 | 0 | 0 | 0 | 0 | 111.6 | L112 S113 N115 F119 Y120 I121 V206 M209 V210 F271 | L112-T117 WeakPolarHBondContact CB-OG1 3.27Å; S113-T117 WeakPolarHBondContact O-CB 3.49Å; S113-T117 PolarHBondContact O-N 3.24Å; S113-T117 PolarHBondContact O-OG1 3.21Å; S113-T117 VanDerWaalsContact O-OG1 3.13Å; N115-T117 VanDerWaalsContact C-N 3.32Å; T117-F119 VanDerWaalsContact C-N 3.29Å; T117-F119 PolarHBondContact O-N 3.41Å; T117-Y120 PolarHBondContact O-N 3.22Å; T117-I121 HydrophobicContact CG2-CG1 3.87Å; T117-I121 VanDerWaalsContact O-CB 3.32Å; T117-I121 WeakPolarHBondContact O-CB 3.46Å; T117-I121 WeakPolarHBondContact O-CG1 3.44Å; T117-I121 PolarHBondContact O-N 3.29Å; T117-V206 HydrophobicContact CG2-CG1 4Å; T117-M209 HydrophobicContact CG2-CB 4.19Å; T117-M209 HydrophobicContact CG2-CE 3.85Å; T117-M209 HydrophobicContact CG2-SD 4.11Å; T117-V210 HydrophobicContact CG2-CG1 3.96Å; T117-V210 VanDerWaalsContact OG1-CG1 3.24Å; T117-V210 WeakPolarHBondContact OG1-CG1 3.47Å; T117-F271 HydrophobicContact CG2-CZ 4.48Å |
| 118 | R | 98.5 | Very high | 97.2 | Very high | 47 Ų | 47 | 24.5 Ų | 24.5 | 18% | 0.177 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.9 | -41.1 | 178.4 | -175.4 | -177 | -55.1 | 101.8 | 11.7 | 112.5 | E114 N115 A122 F271 L272 V275 | E114-R118 WeakPolarHBondContact O-CB 3.43Å; E114-R118 PolarHBondContact O-N 2.9Å; N115-R118 WeakPolarHBondContact O-CB 3.44Å; N115-R118 PolarHBondContact O-N 3.19Å; N115-R118 PolarHBondContact OD1-NH1 2.9Å; R118-A122 WeakPolarHBondContact O-CB 3.44Å; R118-A122 PolarHBondContact O-N 3.28Å; R118-F271 HydrophobicContact CB-CE1 4.33Å; R118-F271 HydrophobicContact CB-CZ 4.16Å; R118-F271 PolarHBondContact NE-O 3.26Å; R118-L272 HydrophobicContact CG-CD2 3.97Å; R118-V275 HydrophobicContact CG-CG2 3.69Å |
| 119 | F | 98.5 | Very high | 97.6 | Very high | 21 Ų | 21 | 24.2 Ų | 24.2 | 9% | 0.092 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -56.7 | -60.1 | 176.4 | 171.7 | -89.2 | 0 | 0 | 0 | 111.3 | N115 N116 T117 I121 A122 E123 H153 L285 P287 P288 | N115-F119 PolarHBondContact O-N 3.13Å; N116-F119 PolarHBondContact O-N 3.48Å; T117-F119 VanDerWaalsContact C-N 3.29Å; T117-F119 PolarHBondContact O-N 3.41Å; F119-I121 VanDerWaalsContact C-N 3.29Å; F119-I121 PolarHBondContact O-N 2.68Å; F119-A122 WeakPolarHBondContact O-CB 3.39Å; F119-A122 PolarHBondContact O-N 3.13Å; F119-A122 VanDerWaalsContact O-N 3.13Å; F119-E123 HydrophobicContact CZ-CG 4.46Å; F119-E123 WeakPolarHBondContact CZ-OE1 3.39Å; F119-E123 PolarHBondContact O-N 2.83Å; F119-H153 AromaticContact CZ-ND1 3.9Å; F119-L285 HydrophobicContact CD2-CB 4.01Å; F119-L285 HydrophobicContact CE2-CB 3.64Å; F119-L285 WeakPolarHBondContact CE2-O 3.36Å; F119-P287 HydrophobicContact CE1-CB 4.16Å; F119-P287 VanDerWaalsContact CZ-CA 3.49Å; F119-P287 HydrophobicContact CZ-CB 3.91Å; F119-P287 HydrophobicContact CZ-CG 3.86Å; F119-P288 HydrophobicContact CB-CG 4.4Å; F119-P288 HydrophobicContact CD1-CG 3.93Å; F119-P288 HydrophobicContact CG-CG 4.23Å |
| 120 | Y | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.3 | -37.2 | -176.1 | -69.2 | -56.9 | 0 | 0 | 0 | 112.5 | L102 L105 L112 N116 T117 A122 E123 I124 F148 V154 M209 P288 Y289 | L102-Y120 HydrophobicContact CD1-CD2 4.38Å; L105-Y120 HydrophobicContact CD2-CE2 3.69Å; L112-Y120 HydrophobicContact CD1-CD2 3.95Å; L112-Y120 HydrophobicContact CD1-CE2 4.14Å; N116-Y120 VanDerWaalsContact O-CD2 3.31Å; N116-Y120 WeakPolarHBondContact O-CD2 3.46Å; N116-Y120 PolarHBondContact O-N 2.78Å; T117-Y120 PolarHBondContact O-N 3.22Å; Y120-A122 VanDerWaalsContact C-N 3.31Å; Y120-A122 PolarHBondContact O-N 3.06Å; Y120-E123 PolarHBondContact O-N 3.44Å; Y120-I124 WeakPolarHBondContact O-CD1 3.4Å; Y120-I124 WeakPolarHBondContact O-CG1 3.42Å; Y120-I124 PolarHBondContact O-N 2.75Å; Y120-F148 HydrophobicContact CD1-CE1 4.45Å; Y120-F148 AromaticContact CE1-CE1 3.49Å; Y120-F148 HydrophobicContact CE1-CE1 3.49Å; Y120-F148 VanDerWaalsContact CE1-CE1 3.49Å; Y120-F148 AromaticContact CE1-CZ 3.95Å; Y120-F148 HydrophobicContact CE1-CZ 3.95Å; Y120-F148 AromaticContact CZ-CE1 3.73Å; Y120-F148 AromaticContact CZ-CZ 3.95Å; Y120-F148 WeakPolarHBondContact OH-CE1 3.44Å; Y120-V154 HydrophobicContact CD1-CB 4.48Å; Y120-V154 HydrophobicContact CD1-CG1 3.58Å; Y120-V154 HydrophobicContact CD1-CG2 4.06Å; Y120-V154 HydrophobicContact CE1-CG1 3.75Å; Y120-M209 HydrophobicContact CD2-CE 4.15Å; Y120-M209 HydrophobicContact CG-CE 4.45Å; Y120-P288 HydrophobicContact CE2-CG 3.77Å; Y120-Y289 AromaticContact CE2-CD2 3.94Å; Y120-Y289 HydrophobicContact CE2-CD2 3.94Å; Y120-Y289 HydrophobicContact CE2-CE2 4.31Å; Y120-Y289 WeakPolarHBondContact OH-CD2 3.42Å |
| 121 | I | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.9 | -32.5 | 179.4 | -65 | -67.8 | 0 | 0 | 0 | 111.7 | T117 F119 E123 I124 I125 L202 L205 V206 M209 L272 | T117-I121 HydrophobicContact CG2-CG1 3.87Å; T117-I121 VanDerWaalsContact O-CB 3.32Å; T117-I121 WeakPolarHBondContact O-CB 3.46Å; T117-I121 WeakPolarHBondContact O-CG1 3.44Å; T117-I121 PolarHBondContact O-N 3.29Å; F119-I121 VanDerWaalsContact C-N 3.29Å; F119-I121 PolarHBondContact O-N 2.68Å; I121-E123 VanDerWaalsContact C-N 3.35Å; I121-I124 HydrophobicContact CD1-CD1 4.04Å; I121-I125 HydrophobicContact CG2-CD1 3.74Å; I121-I125 HydrophobicContact CG2-CG1 4.34Å; I121-I125 VanDerWaalsContact O-CB 3.31Å; I121-I125 WeakPolarHBondContact O-CB 3.25Å; I121-I125 WeakPolarHBondContact O-CD1 3.29Å; I121-I125 WeakPolarHBondContact O-CG1 3.47Å; I121-I125 PolarHBondContact O-N 2.86Å; I121-L202 HydrophobicContact CD1-CD1 3.82Å; I121-L202 HydrophobicContact CG2-CD1 4.29Å; I121-L205 HydrophobicContact CD1-CD2 4.31Å; I121-L205 HydrophobicContact CD1-CG 4.39Å; I121-V206 HydrophobicContact CD1-CB 4.48Å; I121-V206 HydrophobicContact CD1-CG2 3.33Å; I121-V206 HydrophobicContact CG1-CG2 3.67Å; I121-V206 HydrophobicContact CG2-CG2 4.2Å; I121-M209 HydrophobicContact CD1-CE 4.49Å; I121-M209 HydrophobicContact CD1-SD 3.82Å; I121-M209 HydrophobicContact CG1-CE 4.31Å; I121-M209 HydrophobicContact CG1-SD 4.17Å; I121-L272 HydrophobicContact CG2-CD2 4.42Å |
| 122 | A | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.8 | -43.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | R118 F119 Y120 I125 C126 V275 W277 A280 | R118-A122 WeakPolarHBondContact O-CB 3.44Å; R118-A122 PolarHBondContact O-N 3.28Å; F119-A122 WeakPolarHBondContact O-CB 3.39Å; F119-A122 PolarHBondContact O-N 3.13Å; F119-A122 VanDerWaalsContact O-N 3.13Å; Y120-A122 VanDerWaalsContact C-N 3.31Å; Y120-A122 PolarHBondContact O-N 3.06Å; A122-I125 PolarHBondContact O-N 3.28Å; A122-C126 PolarHBondContact O-N 2.8Å; A122-C126 PolarHBondContact O-SG 3.14Å; A122-V275 HydrophobicContact CB-CG1 3.66Å; A122-V275 HydrophobicContact CB-CG2 4.26Å; A122-W277 HydrophobicContact CB-CH2 4.25Å; A122-W277 HydrophobicContact CB-CZ3 4.01Å; A122-A280 HydrophobicContact CB-CB 4.18Å |
| 123 | E | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.9 | -44.5 | 178.5 | -60.9 | -162.7 | 152.4 | 0 | 0 | 112.4 | F76 F119 Y120 I121 I125 C126 G127 H153 V154 | F76-E123 HydrophobicContact CD1-CB 3.71Å; F76-E123 HydrophobicContact CD1-CG 4.31Å; F76-E123 HydrophobicContact CE1-CB 3.6Å; F76-E123 HydrophobicContact CE1-CG 3.68Å; F76-E123 HydrophobicContact CZ-CB 4.46Å; F76-E123 HydrophobicContact CZ-CG 4.32Å; F119-E123 HydrophobicContact CZ-CG 4.46Å; F119-E123 WeakPolarHBondContact CZ-OE1 3.39Å; F119-E123 PolarHBondContact O-N 2.83Å; Y120-E123 PolarHBondContact O-N 3.44Å; I121-E123 VanDerWaalsContact C-N 3.35Å; E123-I125 VanDerWaalsContact C-N 3.27Å; E123-I125 PolarHBondContact O-N 2.75Å; E123-C126 WeakPolarHBondContact O-CB 3.36Å; E123-C126 PolarHBondContact O-N 2.96Å; E123-G127 PolarHBondContact O-N 2.66Å; E123-H153 IonicContact OE1-CE1 3.51Å; E123-H153 IonicContact OE1-CG 3.87Å; E123-H153 IonicContact OE1-ND1 3.57Å; E123-H153 PolarHBondContact OE1-ND1 3.25Å; E123-H153 IonicContact OE2-ND1 3.47Å; E123-V154 HydrophobicContact CB-CG2 3.76Å; E123-V154 WeakPolarHBondContact OE2-CG2 3.44Å; E123-V154 PolarHBondContact OE2-N 3.27Å |
| 124 | I | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.2 | -42.1 | 175.2 | -66.1 | 159.7 | 0 | 0 | 0 | 110.2 | L102 Y120 I121 C126 G127 L128 I146 V154 V156 L202 L205 | L102-I124 HydrophobicContact CD2-CD1 4.49Å; Y120-I124 WeakPolarHBondContact O-CD1 3.4Å; Y120-I124 WeakPolarHBondContact O-CG1 3.42Å; Y120-I124 PolarHBondContact O-N 2.75Å; I121-I124 HydrophobicContact CD1-CD1 4.04Å; I124-C126 VanDerWaalsContact C-N 3.33Å; I124-C126 PolarHBondContact O-N 3.41Å; I124-G127 PolarHBondContact O-N 3.24Å; I124-L128 HydrophobicContact CG2-CD1 3.97Å; I124-L128 HydrophobicContact CG2-CG 4.32Å; I124-L128 WeakPolarHBondContact O-CG 3.36Å; I124-L128 PolarHBondContact O-N 2.81Å; I124-I146 HydrophobicContact CD1-CD1 4.13Å; I124-I146 HydrophobicContact CD1-CG1 3.98Å; I124-I146 HydrophobicContact CD1-CG2 4.03Å; I124-I146 HydrophobicContact CG1-CD1 3.92Å; I124-I146 HydrophobicContact CG1-CG1 4.27Å; I124-I146 HydrophobicContact CG1-CG2 4.08Å; I124-I146 HydrophobicContact CG2-CD1 4.3Å; I124-V154 HydrophobicContact CG1-CG2 4.19Å; I124-V156 HydrophobicContact CB-CG2 4.46Å; I124-V156 HydrophobicContact CG2-CG2 4.02Å; I124-L202 HydrophobicContact CG2-CD1 3.79Å; I124-L205 HydrophobicContact CD1-CD2 3.82Å |
| 125 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.5 | -40.2 | 175.3 | -75.9 | 166.3 | 0 | 0 | 0 | 111.3 | I121 A122 E123 G127 L128 E129 L202 L263 V266 K267 L272 W277 | I121-I125 HydrophobicContact CG2-CD1 3.74Å; I121-I125 HydrophobicContact CG2-CG1 4.34Å; I121-I125 VanDerWaalsContact O-CB 3.31Å; I121-I125 WeakPolarHBondContact O-CB 3.25Å; I121-I125 WeakPolarHBondContact O-CD1 3.29Å; I121-I125 WeakPolarHBondContact O-CG1 3.47Å; I121-I125 PolarHBondContact O-N 2.86Å; A122-I125 PolarHBondContact O-N 3.28Å; E123-I125 VanDerWaalsContact C-N 3.27Å; E123-I125 PolarHBondContact O-N 2.75Å; I125-G127 VanDerWaalsContact C-N 3.34Å; I125-G127 PolarHBondContact O-N 2.69Å; I125-L128 PolarHBondContact O-N 2.83Å; I125-E129 WeakPolarHBondContact O-CB 3.17Å; I125-E129 PolarHBondContact O-N 3.05Å; I125-L202 HydrophobicContact CD1-CD2 4.1Å; I125-L202 HydrophobicContact CG1-CD2 3.79Å; I125-L263 HydrophobicContact CG1-CD2 4.17Å; I125-L263 HydrophobicContact CG2-CD2 4.22Å; I125-V266 HydrophobicContact CD1-CG1 3.89Å; I125-K267 HydrophobicContact CG2-CD 3.99Å; I125-K267 HydrophobicContact CG2-CG 3.78Å; I125-L272 HydrophobicContact CD1-CD1 3.42Å; I125-L272 VanDerWaalsContact CD1-CD1 3.42Å; I125-W277 HydrophobicContact CB-CH2 4.1Å; I125-W277 HydrophobicContact CB-CZ3 4.04Å; I125-W277 HydrophobicContact CD1-CH2 3.89Å; I125-W277 HydrophobicContact CG2-CH2 3.73Å; I125-W277 HydrophobicContact CG2-CZ3 3.64Å |
| 126 | C | 98.6 | Very high | 98.3 | Very high | 11 Ų | 11 | 18.8 Ų | 18.8 | 7% | 0.074 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.3 | -40.3 | 176.7 | -63.6 | 0 | 0 | 0 | 0 | 111.8 | F76 A122 E123 I124 H130 | F76-C126 HydrophobicContact CD2-CB 3.42Å; F76-C126 VanDerWaalsContact CD2-CB 3.42Å; F76-C126 HydrophobicContact CE2-CB 3.72Å; F76-C126 HydrophobicContact CG-CB 4.1Å; A122-C126 PolarHBondContact O-N 2.8Å; A122-C126 PolarHBondContact O-SG 3.14Å; E123-C126 WeakPolarHBondContact O-CB 3.36Å; E123-C126 PolarHBondContact O-N 2.96Å; I124-C126 VanDerWaalsContact C-N 3.33Å; I124-C126 PolarHBondContact O-N 3.41Å; C126-H130 PolarHBondContact O-N 2.9Å |
| 127 | G | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.4 | -49.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E123 I124 I125 E129 H130 L131 | E123-G127 PolarHBondContact O-N 2.66Å; I124-G127 PolarHBondContact O-N 3.24Å; I125-G127 VanDerWaalsContact C-N 3.34Å; I125-G127 PolarHBondContact O-N 2.69Å; G127-E129 VanDerWaalsContact C-N 3.33Å; G127-E129 PolarHBondContact O-N 3.43Å; G127-H130 PolarHBondContact O-N 3.17Å; G127-L131 PolarHBondContact O-N 2.72Å |
| 128 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.3 | -35 | 178.2 | -65.5 | 175.5 | 0 | 0 | 0 | 112.4 | I124 I125 H130 L131 H132 H138 V141 V156 D198 L263 | I124-L128 HydrophobicContact CG2-CD1 3.97Å; I124-L128 HydrophobicContact CG2-CG 4.32Å; I124-L128 WeakPolarHBondContact O-CG 3.36Å; I124-L128 PolarHBondContact O-N 2.81Å; I125-L128 PolarHBondContact O-N 2.83Å; L128-H130 VanDerWaalsContact C-N 3.29Å; L128-H130 PolarHBondContact O-N 2.76Å; L128-L131 HydrophobicContact CD2-CD1 4.38Å; L128-L131 PolarHBondContact O-N 2.93Å; L128-H132 VanDerWaalsContact O-CB 3.31Å; L128-H132 WeakPolarHBondContact O-CB 3.3Å; L128-H132 PolarHBondContact O-CD2 3Å; L128-H132 PolarHBondContact O-N 3.41Å; L128-H138 HydrophobicContact CD2-CB 3.89Å; L128-V141 HydrophobicContact CD1-CG2 4.24Å; L128-V141 HydrophobicContact CD2-CG2 3.86Å; L128-V156 HydrophobicContact CD2-CG1 4.47Å; L128-D198 HydrophobicContact CD1-CB 4.46Å; L128-L263 VanDerWaalsContact C-CD1 3.42Å; L128-L263 HydrophobicContact CB-CD1 3.68Å |
| 129 | E | 98.2 | Very high | 98.3 | Very high | 70 Ų | 70 | 15.3 Ų | 15.3 | 33% | 0.327 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -61.8 | -40.3 | 177.7 | -176.2 | 171.4 | -122.7 | 0 | 0 | 110.8 | I125 G127 H132 S133 L263 K267 | I125-E129 WeakPolarHBondContact O-CB 3.17Å; I125-E129 PolarHBondContact O-N 3.05Å; G127-E129 VanDerWaalsContact C-N 3.33Å; G127-E129 PolarHBondContact O-N 3.43Å; E129-H132 PolarHBondContact O-N 3.32Å; E129-S133 WeakPolarHBondContact O-CB 3.01Å; E129-S133 PolarHBondContact O-N 2.88Å; E129-L263 VanDerWaalsContact CA-CD1 3.44Å; E129-L263 HydrophobicContact CB-CD1 3.98Å; E129-L263 VanDerWaalsContact N-CD1 3.26Å; E129-K267 WeakPolarHBondContact OE1-CD 3.3Å; E129-K267 IonicContact OE1-NZ 3.41Å; E129-K267 PolarHBondContact OE1-NZ 3.37Å; E129-K267 IonicContact OE2-NZ 3.51Å; E129-K267 PolarHBondContact OE2-NZ 2.97Å |
| 130 | H | 98.2 | Very high | 98.2 | Very high | 22 Ų | 22 | 14.5 Ų | 14.5 | 10% | 0.102 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.1 | -49.3 | 174.2 | -169.1 | 103.5 | 0 | 0 | 0 | 111.7 | F72 L77 C126 G127 L128 H132 S133 M134 | F72-H130 AromaticContact CD1-CE1 3.75Å; F72-H130 AromaticContact CD1-ND1 3.61Å; F72-H130 AromaticContact CE1-ND1 3.92Å; F72-H130 PolarHBondContact O-CE1 3.13Å; L77-H130 HydrophobicContact CD1-CB 3.88Å; C126-H130 PolarHBondContact O-N 2.9Å; G127-H130 PolarHBondContact O-N 3.17Å; L128-H130 VanDerWaalsContact C-N 3.29Å; L128-H130 PolarHBondContact O-N 2.76Å; H130-H132 VanDerWaalsContact C-N 3.34Å; H130-H132 PolarHBondContact O-N 3.15Å; H130-S133 WeakPolarHBondContact O-CB 3.48Å; H130-S133 PolarHBondContact O-N 3.5Å; H130-S133 PolarHBondContact O-OG 3.04Å; H130-M134 PolarHBondContact O-N 3.26Å |
| 131 | L | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -57 | -47.1 | 175.3 | -68.9 | 177.1 | 0 | 0 | 0 | 111.9 | L67 L77 G127 L128 S133 M134 S135 I136 H138 L159 | L67-L131 HydrophobicContact CD1-CD2 4.18Å; L67-L131 HydrophobicContact CD2-CD2 4.25Å; L77-L131 HydrophobicContact CD1-CD2 3.82Å; L77-L131 HydrophobicContact CD1-CG 3.86Å; L77-L131 HydrophobicContact CD2-CD1 3.86Å; L77-L131 HydrophobicContact CD2-CD2 4.12Å; L77-L131 HydrophobicContact CD2-CG 3.78Å; G127-L131 PolarHBondContact O-N 2.72Å; L128-L131 HydrophobicContact CD2-CD1 4.38Å; L128-L131 PolarHBondContact O-N 2.93Å; L131-S133 VanDerWaalsContact C-N 3.3Å; L131-S133 PolarHBondContact O-N 3.35Å; L131-M134 CarbonylContact O-C 3.24Å; L131-M134 WeakPolarHBondContact O-CA 3.38Å; L131-M134 WeakPolarHBondContact O-CB 3.45Å; L131-M134 PolarHBondContact O-N 3.49Å; L131-S135 PolarHBondContact O-N 3.15Å; L131-I136 CarbonylContact C-O 3.56Å; L131-I136 VanDerWaalsContact C-O 3.32Å; L131-I136 HydrophobicContact CB-CB 4.24Å; L131-I136 HydrophobicContact CB-CG2 4.48Å; L131-I136 HydrophobicContact CD2-CB 4.35Å; L131-I136 HydrophobicContact CD2-CG2 4.09Å; L131-I136 WeakPolarHBondContact O-CB 3.28Å; L131-I136 PolarHBondContact O-N 2.61Å; L131-H138 HydrophobicContact CD1-CB 4.17Å; L131-L159 HydrophobicContact CD1-CD2 4.06Å; L131-L159 HydrophobicContact CD2-CD2 4.42Å |
| 132 | H | 98.3 | Very high | 98 | Very high | 28 Ų | 28 | 15.5 Ų | 15.5 | 13% | 0.13 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65.1 | -34.4 | -178.3 | -70.1 | -169.8 | 0 | 0 | 0 | 111.7 | L128 E129 H130 M134 S135 I136 T195 D198 L263 | L128-H132 VanDerWaalsContact O-CB 3.31Å; L128-H132 WeakPolarHBondContact O-CB 3.3Å; L128-H132 PolarHBondContact O-CD2 3Å; L128-H132 PolarHBondContact O-N 3.41Å; E129-H132 PolarHBondContact O-N 3.32Å; H130-H132 VanDerWaalsContact C-N 3.34Å; H130-H132 PolarHBondContact O-N 3.15Å; H132-M134 PolarHBondContact O-N 3.07Å; H132-S135 PolarHBondContact O-N 3.26Å; H132-I136 PolarHBondContact CD2-O 3.25Å; H132-I136 VanDerWaalsContact CD2-O 3.26Å; H132-T195 HydrophobicContact CB-CG2 3.88Å; H132-T195 PolarHBondContact CE1-O 2.89Å; H132-T195 WeakPolarHBondContact ND1-CB 3.43Å; H132-D198 IonicContact CD2-OD2 2.63Å; H132-D198 IonicContact CE1-OD2 3.55Å; H132-D198 IonicContact NE2-OD2 2.75Å; H132-D198 PolarHBondContact NE2-OD2 3.34Å; H132-L263 HydrophobicContact CB-CD1 4.37Å; H132-L263 WeakPolarHBondContact ND1-CD1 3.47Å |
| 133 | S | 97.3 | Very high | 97.9 | Very high | 91 Ų | 91 | 15.5 Ų | 15.5 | 64% | 0.636 | 9% | 0.089 | S | C | * | . | H | α-helix | trans | -61.8 | -27.3 | 173.7 | 80.7 | 0 | 0 | 0 | 0 | 112.6 | E129 H130 L131 S135 | E129-S133 WeakPolarHBondContact O-CB 3.01Å; E129-S133 PolarHBondContact O-N 2.88Å; H130-S133 WeakPolarHBondContact O-CB 3.48Å; H130-S133 PolarHBondContact O-N 3.5Å; H130-S133 PolarHBondContact O-OG 3.04Å; L131-S133 VanDerWaalsContact C-N 3.3Å; L131-S133 PolarHBondContact O-N 3.35Å; S133-S135 VanDerWaalsContact C-N 3.33Å |
| 134 | M | 97.1 | Very high | 97.6 | Very high | 21 Ų | 21 | 17.1 Ų | 17.1 | 10% | 0.103 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 7.5 | 176 | -60.9 | 178.7 | 73.5 | 0 | 0 | 113.4 | R66 L67 C70 H130 L131 H132 I136 | R66-M134 HydrophobicContact CB-CE 3.73Å; R66-M134 PolarHBondContact NH2-O 2.84Å; L67-M134 HydrophobicContact CD2-CE 4.44Å; L67-M134 HydrophobicContact CD2-SD 3.58Å; L67-M134 VanDerWaalsContact CD2-SD 3.58Å; L67-M134 HydrophobicContact CG-SD 4.43Å; C70-M134 WeakPolarHBondContact SG-CE 3.2Å; H130-M134 PolarHBondContact O-N 3.26Å; L131-M134 CarbonylContact O-C 3.24Å; L131-M134 WeakPolarHBondContact O-CA 3.38Å; L131-M134 WeakPolarHBondContact O-CB 3.45Å; L131-M134 PolarHBondContact O-N 3.49Å; H132-M134 PolarHBondContact O-N 3.07Å; M134-I136 VanDerWaalsContact C-N 3.27Å; M134-I136 HydrophobicContact CB-CD1 3.95Å; M134-I136 HydrophobicContact CB-CG1 4.04Å; M134-I136 HydrophobicContact CE-CD1 4.4Å; M134-I136 PolarHBondContact O-N 3.37Å; M134-I136 HydrophobicContact SD-CD1 4.49Å |
| 135 | S | 97.6 | Very high | 97.4 | Very high | 50 Ų | 50 | 17.5 Ų | 17.5 | 35% | 0.35 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 31.9 | -172.7 | -52.4 | 0 | 0 | 0 | 0 | 113.9 | L131 H132 S133 I165 | L131-S135 PolarHBondContact O-N 3.15Å; H132-S135 PolarHBondContact O-N 3.26Å; S133-S135 VanDerWaalsContact C-N 3.33Å; S135-I165 WeakPolarHBondContact O-CB 3.37Å; S135-I165 PolarHBondContact O-N 3.22Å |
| 136 | I | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 131.9 | 177.3 | -57.4 | 175.2 | 0 | 0 | 0 | 108.9 | I63 L131 H132 M134 Y163 D164 | I63-I136 HydrophobicContact CD1-CG2 4.06Å; I63-I136 HydrophobicContact CG1-CD1 4.31Å; I63-I136 HydrophobicContact CG2-CD1 3.95Å; I63-I136 HydrophobicContact CG2-CG2 4.36Å; L131-I136 CarbonylContact C-O 3.56Å; L131-I136 VanDerWaalsContact C-O 3.32Å; L131-I136 HydrophobicContact CB-CB 4.24Å; L131-I136 HydrophobicContact CB-CG2 4.48Å; L131-I136 HydrophobicContact CD2-CB 4.35Å; L131-I136 HydrophobicContact CD2-CG2 4.09Å; L131-I136 WeakPolarHBondContact O-CB 3.28Å; L131-I136 PolarHBondContact O-N 2.61Å; H132-I136 PolarHBondContact CD2-O 3.25Å; H132-I136 VanDerWaalsContact CD2-O 3.26Å; M134-I136 VanDerWaalsContact C-N 3.27Å; M134-I136 HydrophobicContact CB-CD1 3.95Å; M134-I136 HydrophobicContact CB-CG1 4.04Å; M134-I136 HydrophobicContact CE-CD1 4.4Å; M134-I136 PolarHBondContact O-N 3.37Å; M134-I136 HydrophobicContact SD-CD1 4.49Å; I136-Y163 WeakPolarHBondContact CA-O 3.38Å; I136-D164 HydrophobicContact CG1-CB 4.47Å |
| 137 | V | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 132.5 | 174.4 | -170.7 | 0 | 0 | 0 | 0 | 108.4 | L139 S162 Y163 I165 I193 D194 T195 D198 | V137-L139 HydrophobicContact CB-CG 4.35Å; V137-L139 HydrophobicContact CG1-CD2 3.73Å; V137-L139 HydrophobicContact CG1-CG 3.91Å; V137-S162 CarbonylContact O-C 3.49Å; V137-S162 WeakPolarHBondContact O-CA 3.47Å; V137-S162 WeakPolarHBondContact O-CB 3.37Å; V137-Y163 PolarHBondContact N-O 3.46Å; V137-Y163 PolarHBondContact O-N 2.81Å; V137-I165 HydrophobicContact CG2-CD1 3.54Å; V137-I165 HydrophobicContact CG2-CG1 4.09Å; V137-I193 HydrophobicContact CB-CG2 4.23Å; V137-I193 HydrophobicContact CG1-CG2 4.39Å; V137-I193 HydrophobicContact CG2-CG2 4.12Å; V137-D194 VanDerWaalsContact CG1-O 3.31Å; V137-D194 WeakPolarHBondContact CG1-O 3.38Å; V137-T195 HydrophobicContact CG2-CG2 4.07Å; V137-D198 WeakPolarHBondContact CG1-OD2 3.36Å |
| 138 | H | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | trans | -73.2 | -41.8 | -175.8 | -173.2 | -81.5 | 0 | 0 | 0 | 113.3 | L128 L131 D140 V141 V156 S157 D158 S162 D198 | L128-H138 HydrophobicContact CD2-CB 3.89Å; L131-H138 HydrophobicContact CD1-CB 4.17Å; H138-D140 PolarHBondContact CE1-O 3Å; H138-D140 VanDerWaalsContact ND1-C 3.28Å; H138-D140 PolarHBondContact ND1-N 2.93Å; H138-D140 VanDerWaalsContact ND1-N 3.19Å; H138-D140 PolarHBondContact O-N 2.89Å; H138-V141 HydrophobicContact CB-CG2 4Å; H138-V141 PolarHBondContact ND1-N 2.7Å; H138-V156 WeakPolarHBondContact CD2-CG1 3.24Å; H138-V156 WeakPolarHBondContact NE2-CG1 3.39Å; H138-S157 PolarHBondContact NE2-O 3.22Å; H138-D158 PolarHBondContact NE2-O 3Å; H138-S162 WeakPolarHBondContact CA-OG 3.36Å; H138-S162 PolarHBondContact O-OG 3.17Å; H138-D198 PolarHBondContact N-OD1 3.41Å; H138-D198 PolarHBondContact N-OD2 3.19Å | ||
| 139 | L | 97.2 | Very high | 96.9 | Very high | 7 Ų | 7 | 20.2 Ų | 20.2 | 4% | 0.037 | 11% | 0.111 | C | C | . | . | trans | 66.1 | -14.9 | 179.3 | -65.8 | -180 | 0 | 0 | 0 | 117.7 | V137 T177 V187 I193 D198 | V137-L139 HydrophobicContact CB-CG 4.35Å; V137-L139 HydrophobicContact CG1-CD2 3.73Å; V137-L139 HydrophobicContact CG1-CG 3.91Å; L139-T177 HydrophobicContact CD1-CG2 4.2Å; L139-V187 HydrophobicContact CD2-CG1 4.39Å; L139-V187 HydrophobicContact CD2-CG2 3.99Å; L139-I193 HydrophobicContact CD1-CD1 4.1Å; L139-I193 HydrophobicContact CD1-CG1 4.4Å; L139-I193 HydrophobicContact CD1-CG2 4.09Å; L139-I193 HydrophobicContact CD2-CG2 4.06Å; L139-I193 HydrophobicContact CG-CG2 4.43Å; L139-D198 PolarHBondContact N-OD1 3.42Å | ||
| 140 | D | 96.1 | Very high | 96.6 | Very high | 3 Ų | 3 | 20.8 Ų | 20.8 | 2% | 0.016 | 12% | 0.121 | C | C | . | . | trans | -130.5 | 44 | 178.8 | -152.9 | 28.2 | 0 | 0 | 0 | 114.1 | H138 K142 N145 R161 T179 | H138-D140 PolarHBondContact CE1-O 3Å; H138-D140 VanDerWaalsContact ND1-C 3.28Å; H138-D140 PolarHBondContact ND1-N 2.93Å; H138-D140 VanDerWaalsContact ND1-N 3.19Å; H138-D140 PolarHBondContact O-N 2.89Å; D140-K142 PolarHBondContact O-N 2.71Å; D140-K142 VanDerWaalsContact O-N 3.16Å; D140-K142 IonicContact OD1-NZ 2.97Å; D140-K142 WeakPolarHBondContact OD2-CE 3.48Å; D140-K142 IonicContact OD2-NZ 3.3Å; D140-K142 PolarHBondContact OD2-NZ 2.69Å; D140-N145 PolarHBondContact O-ND2 3.36Å; D140-N145 PolarHBondContact OD2-ND2 3.25Å; D140-R161 HydrophobicContact CB-CB 4.32Å; D140-T179 WeakPolarHBondContact OD1-CB 3.27Å; D140-T179 PolarHBondContact OD1-N 3Å; D140-T179 PolarHBondContact OD1-OG1 3.44Å | ||
| 141 | V | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -68.7 | 110.6 | 174.7 | 178.7 | 0 | 0 | 0 | 0 | 109.6 | L128 H138 L205 | L128-V141 HydrophobicContact CD1-CG2 4.24Å; L128-V141 HydrophobicContact CD2-CG2 3.86Å; H138-V141 HydrophobicContact CB-CG2 4Å; H138-V141 PolarHBondContact ND1-N 2.7Å; V141-L205 HydrophobicContact CG1-CD2 3.86Å | ||
| 142 | K | 96 | Very high | 96.2 | Very high | 22 Ų | 22 | 22.9 Ų | 22.9 | 10% | 0.096 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -155.9 | 162.3 | -179.4 | 68.7 | -167.4 | -175.6 | -157.1 | 0 | 110.1 | D140 E144 N145 T179 F182 | D140-K142 PolarHBondContact O-N 2.71Å; D140-K142 VanDerWaalsContact O-N 3.16Å; D140-K142 IonicContact OD1-NZ 2.97Å; D140-K142 WeakPolarHBondContact OD2-CE 3.48Å; D140-K142 IonicContact OD2-NZ 3.3Å; D140-K142 PolarHBondContact OD2-NZ 2.69Å; K142-E144 HydrophobicContact CG-CB 4.3Å; K142-E144 WeakPolarHBondContact CG-OE2 3.47Å; K142-E144 PolarHBondContact O-N 3.28Å; K142-E144 VanDerWaalsContact O-N 3.14Å; K142-N145 VanDerWaalsContact CE-OD1 3.3Å; K142-N145 WeakPolarHBondContact CE-OD1 3.27Å; K142-N145 HydrophobicContact CG-CB 4.13Å; K142-N145 PolarHBondContact O-N 3.03Å; K142-T179 HydrophobicContact CD-CG2 4.48Å; K142-T179 VanDerWaalsContact CD-OG1 3.27Å; K142-T179 WeakPolarHBondContact CD-OG1 3.46Å; K142-T179 PolarHBondContact NZ-OG1 2.74Å; K142-F182 HydrophobicContact CB-CD1 4.13Å; K142-F182 HydrophobicContact CB-CD2 3.73Å; K142-F182 HydrophobicContact CB-CE1 4.21Å; K142-F182 HydrophobicContact CB-CE2 3.81Å; K142-F182 HydrophobicContact CB-CG 3.91Å; K142-F182 HydrophobicContact CB-CZ 4.06Å |
| 143 | P | 95.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -55 | -35.1 | -176.1 | -26.3 | 34.3 | 0 | 0 | 0 | 114.7 | L102 Y103 L106 N145 I146 F182 L205 E208 | L102-P143 HydrophobicContact CB-CB 4.23Å; L102-P143 WeakPolarHBondContact CB-O 3.35Å; L102-P143 HydrophobicContact CG-CB 4.37Å; L102-P143 PolarHBondContact N-O 3.34Å; Y103-P143 HydrophobicContact CD2-CB 4.36Å; Y103-P143 PolarHBondContact N-O 2.81Å; L106-P143 HydrophobicContact CD1-CB 4.18Å; L106-P143 HydrophobicContact CD1-CG 4.07Å; P143-N145 VanDerWaalsContact C-N 3.25Å; P143-N145 PolarHBondContact O-N 3.01Å; P143-I146 PolarHBondContact O-N 3.35Å; P143-F182 HydrophobicContact CG-CE1 4.44Å; P143-F182 HydrophobicContact CG-CZ 4.21Å; P143-L205 HydrophobicContact CB-CD1 4.3Å; P143-L205 HydrophobicContact CG-CD1 3.53Å; P143-E208 WeakPolarHBondContact CG-OE1 3.35Å |
| 144 | E | 92.4 | Very high | 96.2 | Very high | 34 Ų | 34 | 17.9 Ų | 17.9 | 16% | 0.159 | 10% | 0.099 | C | C | . | . | G | 310 helix | trans | -68 | -24.5 | 179.5 | -62.6 | 85.4 | 167.2 | 0 | 0 | 113.6 | D101 Y103 K142 R427 | D101-E144 WeakPolarHBondContact OD2-CA 3.39Å; Y103-E144 HydrophobicContact CG-CG 4.4Å; K142-E144 HydrophobicContact CG-CB 4.3Å; K142-E144 WeakPolarHBondContact CG-OE2 3.47Å; K142-E144 PolarHBondContact O-N 3.28Å; K142-E144 VanDerWaalsContact O-N 3.14Å; E144-R427 VanDerWaalsContact CD-NH1 3.28Å; E144-R427 VanDerWaalsContact OE1-CD 3.27Å; E144-R427 WeakPolarHBondContact OE1-CD 3.25Å; E144-R427 IonicContact OE1-CZ 3.85Å; E144-R427 IonicContact OE1-NE 2.53Å; E144-R427 IonicContact OE1-NH1 3.3Å; E144-R427 PolarHBondContact OE1-NH1 3.48Å; E144-R427 IonicContact OE2-NH1 3.83Å; E144-R427 PolarHBondContact OE2-NH1 2.81Å |
| 145 | N | 95.2 | Very high | 96.3 | Very high | 9 Ų | 9 | 17.3 Ų | 17.3 | 5% | 0.048 | 10% | 0.096 | C | C | . | . | G | 310 helix | trans | -97.8 | 8.2 | -179.9 | -70.5 | 6.3 | 0 | 0 | 0 | 111.9 | D140 K142 P143 S157 | D140-N145 PolarHBondContact O-ND2 3.36Å; D140-N145 PolarHBondContact OD2-ND2 3.25Å; K142-N145 VanDerWaalsContact CE-OD1 3.3Å; K142-N145 WeakPolarHBondContact CE-OD1 3.27Å; K142-N145 HydrophobicContact CG-CB 4.13Å; K142-N145 PolarHBondContact O-N 3.03Å; P143-N145 VanDerWaalsContact C-N 3.25Å; P143-N145 PolarHBondContact O-N 3.01Å; N145-S157 PolarHBondContact O-N 2.98Å; N145-S157 PolarHBondContact O-OG 2.79Å |
| 146 | I | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 99.2 | 171.8 | -54.6 | -49 | 0 | 0 | 0 | 107.5 | D101 L102 I124 P143 V154 F155 V156 L205 | D101-I146 CarbonylContact C-O 3.55Å; D101-I146 VanDerWaalsContact CA-O 3.28Å; D101-I146 WeakPolarHBondContact CA-O 3.44Å; L102-I146 HydrophobicContact CB-CB 3.79Å; L102-I146 HydrophobicContact CB-CG2 4.05Å; L102-I146 HydrophobicContact CD2-CB 4.13Å; L102-I146 HydrophobicContact CD2-CG1 4.22Å; L102-I146 HydrophobicContact CD2-CG2 4.15Å; L102-I146 PolarHBondContact N-O 3.25Å; I124-I146 HydrophobicContact CD1-CD1 4.13Å; I124-I146 HydrophobicContact CD1-CG1 3.98Å; I124-I146 HydrophobicContact CD1-CG2 4.03Å; I124-I146 HydrophobicContact CG1-CD1 3.92Å; I124-I146 HydrophobicContact CG1-CG1 4.27Å; I124-I146 HydrophobicContact CG1-CG2 4.08Å; I124-I146 HydrophobicContact CG2-CD1 4.3Å; P143-I146 PolarHBondContact O-N 3.35Å; I146-V154 HydrophobicContact CG2-CB 3.65Å; I146-V154 HydrophobicContact CG2-CG1 3.94Å; I146-V154 HydrophobicContact CG2-CG2 3.87Å; I146-F155 WeakPolarHBondContact CA-O 3.31Å; I146-V156 HydrophobicContact CD1-CB 4.37Å; I146-V156 HydrophobicContact CD1-CG1 4.25Å; I146-V156 HydrophobicContact CD1-CG2 4.01Å; I146-L205 HydrophobicContact CG1-CD2 4.18Å |
| 147 | L | 95.5 | Very high | 96.2 | Very high | 51 Ų | 51 | 15.4 Ų | 15.4 | 27% | 0.267 | 8% | 0.083 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 150.1 | -177 | -59.4 | -174.5 | 0 | 0 | 0 | 111 | D101 V154 F155 S157 | D101-L147 HydrophobicContact CB-CD2 3.59Å; L147-V154 CarbonylContact O-C 3.53Å; L147-V154 WeakPolarHBondContact O-CA 3.37Å; L147-V154 WeakPolarHBondContact O-CB 3.38Å; L147-F155 HydrophobicContact CB-CD1 4.06Å; L147-F155 HydrophobicContact CB-CE1 3.51Å; L147-F155 HydrophobicContact CB-CE2 4.04Å; L147-F155 HydrophobicContact CB-CZ 3.51Å; L147-F155 HydrophobicContact CD1-CE2 4.03Å; L147-F155 HydrophobicContact CD1-CZ 3.78Å; L147-F155 HydrophobicContact CG-CE2 4.45Å; L147-F155 HydrophobicContact CG-CZ 4.2Å; L147-F155 PolarHBondContact N-O 2.76Å; L147-F155 VanDerWaalsContact O-CD1 3.29Å; L147-F155 WeakPolarHBondContact O-CD1 3.19Å; L147-F155 PolarHBondContact O-N 2.66Å; L147-S157 WeakPolarHBondContact CG-OG 3.22Å |
| 148 | F | 95.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 0% | 0.004 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 144.3 | 175 | -76.9 | -89.3 | 0 | 0 | 0 | 111.7 | G97 S98 C100 D101 L102 L105 Y120 G152 H153 V154 T291 L294 | G97-F148 CarbonylContact C-O 3.47Å; G97-F148 WeakPolarHBondContact CA-O 3.42Å; S98-F148 WeakPolarHBondContact CB-O 3.37Å; S98-F148 PolarHBondContact N-O 3.23Å; S98-F148 WeakPolarHBondContact OG-CB 3.37Å; S98-F148 PolarHBondContact OG-O 2.76Å; C100-F148 HydrophobicContact CB-CD2 4.43Å; C100-F148 PolarHBondContact O-N 3.46Å; D101-F148 WeakPolarHBondContact O-CE2 3.36Å; L102-F148 HydrophobicContact CB-CE2 4.45Å; L102-F148 HydrophobicContact CD1-CZ 4.33Å; L105-F148 HydrophobicContact CB-CE2 4.21Å; L105-F148 HydrophobicContact CB-CZ 4.25Å; L105-F148 HydrophobicContact CD2-CZ 3.91Å; Y120-F148 HydrophobicContact CD1-CE1 4.45Å; Y120-F148 AromaticContact CE1-CE1 3.49Å; Y120-F148 HydrophobicContact CE1-CE1 3.49Å; Y120-F148 VanDerWaalsContact CE1-CE1 3.49Å; Y120-F148 AromaticContact CE1-CZ 3.95Å; Y120-F148 HydrophobicContact CE1-CZ 3.95Å; Y120-F148 AromaticContact CZ-CE1 3.73Å; Y120-F148 AromaticContact CZ-CZ 3.95Å; Y120-F148 WeakPolarHBondContact OH-CE1 3.44Å; F148-G152 WeakPolarHBondContact CD1-O 3.25Å; F148-H153 CarbonylContact C-O 3.54Å; F148-H153 WeakPolarHBondContact CA-O 3.5Å; F148-V154 HydrophobicContact CD1-CG1 3.66Å; F148-V154 HydrophobicContact CD2-CG1 4.44Å; F148-V154 HydrophobicContact CE1-CG1 3.56Å; F148-V154 HydrophobicContact CE2-CG1 4.37Å; F148-V154 HydrophobicContact CG-CG1 4.11Å; F148-V154 HydrophobicContact CZ-CG1 3.92Å; F148-T291 HydrophobicContact CB-CG2 3.79Å; F148-T291 HydrophobicContact CD1-CG2 4.22Å; F148-T291 HydrophobicContact CG-CG2 4.23Å; F148-L294 HydrophobicContact CD2-CD1 4.12Å; F148-L294 HydrophobicContact CE2-CD1 4.04Å; F148-L294 HydrophobicContact CG-CD1 4.43Å; F148-L294 HydrophobicContact CZ-CD1 4.33Å |
| 149 | Y | 94.4 | Very high | 95.8 | Very high | 16 Ų | 16 | 17.1 Ų | 17.1 | 6% | 0.063 | 9% | 0.092 | C | C | . | . | P | Polyproline II helix | trans | -81.7 | 159 | 155.2 | -73.1 | -74.1 | 0 | 0 | 0 | 110.8 | P75 R95 D151 G152 H153 F155 R283 T291 | P75-Y149 PolarHBondContact O-OH 3.26Å; R95-Y149 HydrophobicContact CG-CE1 4.27Å; Y149-D151 WeakPolarHBondContact CB-OD1 3.46Å; Y149-D151 PolarHBondContact O-N 3.02Å; Y149-D151 VanDerWaalsContact O-N 3.1Å; Y149-G152 PolarHBondContact O-N 3.37Å; Y149-H153 PolarHBondContact N-O 2.63Å; Y149-F155 HydrophobicContact CD1-CE1 4.37Å; Y149-F155 AromaticContact CD2-CD1 3.6Å; Y149-F155 HydrophobicContact CD2-CD1 3.6Å; Y149-F155 HydrophobicContact CD2-CE1 4.13Å; Y149-F155 HydrophobicContact CE1-CD1 4.18Å; Y149-F155 HydrophobicContact CE1-CE1 4.03Å; Y149-F155 HydrophobicContact CE2-CB 3.8Å; Y149-F155 AromaticContact CE2-CD1 3.06Å; Y149-F155 HydrophobicContact CE2-CD1 3.06Å; Y149-F155 AromaticContact CE2-CE1 3.74Å; Y149-F155 HydrophobicContact CE2-CE1 3.74Å; Y149-F155 AromaticContact CE2-CG 3.66Å; Y149-F155 HydrophobicContact CE2-CG 3.66Å; Y149-F155 HydrophobicContact CG-CD1 4.33Å; Y149-F155 HydrophobicContact CG-CE1 4.44Å; Y149-F155 AromaticContact CZ-CD1 3.44Å; Y149-F155 VanDerWaalsContact CZ-CD1 3.44Å; Y149-F155 AromaticContact CZ-CE1 3.71Å; Y149-F155 AromaticContact CZ-CG 3.94Å; Y149-R283 VanDerWaalsContact CD2-CZ 3.42Å; Y149-T291 WeakPolarHBondContact O-CG2 3.39Å |
| 150 | P | 91.9 | Very high | 95.6 | Very high | 81 Ų | 81 | 17.3 Ų | 17.3 | 53% | 0.526 | 9% | 0.093 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -31.1 | 178.9 | -28.7 | 36.6 | 0 | 0 | 0 | 114.7 | G152 T291 | P150-G152 VanDerWaalsContact C-N 3.28Å; P150-G152 PolarHBondContact O-N 2.85Å; P150-T291 PolarHBondContact O-OG1 2.98Å |
| 151 | D | 93.3 | Very high | 95.4 | Very high | 67 Ų | 67 | 17.7 Ų | 17.7 | 36% | 0.358 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -5.4 | 179.4 | 59.5 | 12.1 | 0 | 0 | 0 | 114.7 | Y149 H153 L392 | Y149-D151 WeakPolarHBondContact CB-OD1 3.46Å; Y149-D151 PolarHBondContact O-N 3.02Å; Y149-D151 VanDerWaalsContact O-N 3.1Å; D151-H153 IonicContact OD1-CD2 3.43Å; D151-H153 PolarHBondContact OD1-CD2 3.16Å; D151-H153 IonicContact OD1-CG 2.72Å; D151-H153 PolarHBondContact OD1-N 3.14Å; D151-H153 VanDerWaalsContact OD1-N 3.14Å; D151-H153 IonicContact OD2-CD2 3.24Å; D151-L392 HydrophobicContact CB-CD1 4.45Å |
| 152 | G | 95.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.095 | C | C | . | . | S | Bend | trans | 96.4 | -5.2 | 177 | 0 | 0 | 0 | 0 | 0 | 115.1 | F148 Y149 P150 | F148-G152 WeakPolarHBondContact CD1-O 3.25Å; Y149-G152 PolarHBondContact O-N 3.37Å; P150-G152 VanDerWaalsContact C-N 3.28Å; P150-G152 PolarHBondContact O-N 2.85Å |
| 153 | H | 97.8 | Very high | 95.4 | Very high | 13 Ų | 13 | 17.8 Ų | 17.8 | 6% | 0.06 | 10% | 0.095 | C | C | . | . | trans | -71.1 | 158.1 | 168.4 | -69.3 | -76.9 | 0 | 0 | 0 | 111 | F119 E123 F148 Y149 D151 R283 L285 | F119-H153 AromaticContact CZ-ND1 3.9Å; E123-H153 IonicContact OE1-CE1 3.51Å; E123-H153 IonicContact OE1-CG 3.87Å; E123-H153 IonicContact OE1-ND1 3.57Å; E123-H153 PolarHBondContact OE1-ND1 3.25Å; E123-H153 IonicContact OE2-ND1 3.47Å; F148-H153 CarbonylContact C-O 3.54Å; F148-H153 WeakPolarHBondContact CA-O 3.5Å; Y149-H153 PolarHBondContact N-O 2.63Å; D151-H153 IonicContact OD1-CD2 3.43Å; D151-H153 PolarHBondContact OD1-CD2 3.16Å; D151-H153 IonicContact OD1-CG 2.72Å; D151-H153 PolarHBondContact OD1-N 3.14Å; D151-H153 VanDerWaalsContact OD1-N 3.14Å; D151-H153 IonicContact OD2-CD2 3.24Å; H153-R283 PolarHBondContact CE1-O 3.3Å; H153-R283 PolarHBondContact NE2-O 2.97Å; H153-L285 PolarHBondContact CE1-O 3.49Å | ||
| 154 | V | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 166.6 | 178.4 | -60.4 | 0 | 0 | 0 | 0 | 113.2 | F76 Y120 E123 I124 I146 L147 F148 R283 | F76-V154 VanDerWaalsContact CD1-O 3.25Å; F76-V154 WeakPolarHBondContact CD1-O 3.34Å; Y120-V154 HydrophobicContact CD1-CB 4.48Å; Y120-V154 HydrophobicContact CD1-CG1 3.58Å; Y120-V154 HydrophobicContact CD1-CG2 4.06Å; Y120-V154 HydrophobicContact CE1-CG1 3.75Å; E123-V154 HydrophobicContact CB-CG2 3.76Å; E123-V154 WeakPolarHBondContact OE2-CG2 3.44Å; E123-V154 PolarHBondContact OE2-N 3.27Å; I124-V154 HydrophobicContact CG1-CG2 4.19Å; I146-V154 HydrophobicContact CG2-CB 3.65Å; I146-V154 HydrophobicContact CG2-CG1 3.94Å; I146-V154 HydrophobicContact CG2-CG2 3.87Å; L147-V154 CarbonylContact O-C 3.53Å; L147-V154 WeakPolarHBondContact O-CA 3.37Å; L147-V154 WeakPolarHBondContact O-CB 3.38Å; F148-V154 HydrophobicContact CD1-CG1 3.66Å; F148-V154 HydrophobicContact CD2-CG1 4.44Å; F148-V154 HydrophobicContact CE1-CG1 3.56Å; F148-V154 HydrophobicContact CE2-CG1 4.37Å; F148-V154 HydrophobicContact CG-CG1 4.11Å; F148-V154 HydrophobicContact CZ-CG1 3.92Å; V154-R283 PolarHBondContact O-NH2 3.15Å; V154-R283 VanDerWaalsContact O-NH2 3.15Å |
| 155 | F | 98.3 | Very high | 95.6 | Very high | 9 Ų | 9 | 19 Ų | 19 | 4% | 0.039 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 154.8 | 164.8 | 60.2 | -73.7 | 0 | 0 | 0 | 110.7 | F76 P78 I146 L147 Y149 | F76-F155 WeakPolarHBondContact O-CA 3.19Å; F76-F155 WeakPolarHBondContact O-CB 3.07Å; P78-F155 HydrophobicContact CG-CD2 4.3Å; P78-F155 HydrophobicContact CG-CE2 4.41Å; I146-F155 WeakPolarHBondContact CA-O 3.31Å; L147-F155 HydrophobicContact CB-CD1 4.06Å; L147-F155 HydrophobicContact CB-CE1 3.51Å; L147-F155 HydrophobicContact CB-CE2 4.04Å; L147-F155 HydrophobicContact CB-CZ 3.51Å; L147-F155 HydrophobicContact CD1-CE2 4.03Å; L147-F155 HydrophobicContact CD1-CZ 3.78Å; L147-F155 HydrophobicContact CG-CE2 4.45Å; L147-F155 HydrophobicContact CG-CZ 4.2Å; L147-F155 PolarHBondContact N-O 2.76Å; L147-F155 VanDerWaalsContact O-CD1 3.29Å; L147-F155 WeakPolarHBondContact O-CD1 3.19Å; L147-F155 PolarHBondContact O-N 2.66Å; Y149-F155 HydrophobicContact CD1-CE1 4.37Å; Y149-F155 AromaticContact CD2-CD1 3.6Å; Y149-F155 HydrophobicContact CD2-CD1 3.6Å; Y149-F155 HydrophobicContact CD2-CE1 4.13Å; Y149-F155 HydrophobicContact CE1-CD1 4.18Å; Y149-F155 HydrophobicContact CE1-CE1 4.03Å; Y149-F155 HydrophobicContact CE2-CB 3.8Å; Y149-F155 AromaticContact CE2-CD1 3.06Å; Y149-F155 HydrophobicContact CE2-CD1 3.06Å; Y149-F155 AromaticContact CE2-CE1 3.74Å; Y149-F155 HydrophobicContact CE2-CE1 3.74Å; Y149-F155 AromaticContact CE2-CG 3.66Å; Y149-F155 HydrophobicContact CE2-CG 3.66Å; Y149-F155 HydrophobicContact CG-CD1 4.33Å; Y149-F155 HydrophobicContact CG-CE1 4.44Å; Y149-F155 AromaticContact CZ-CD1 3.44Å; Y149-F155 VanDerWaalsContact CZ-CD1 3.44Å; Y149-F155 AromaticContact CZ-CE1 3.71Å; Y149-F155 AromaticContact CZ-CG 3.94Å |
| 156 | V | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 122.3 | 173 | -171.3 | 0 | 0 | 0 | 0 | 107.6 | F76 L77 P78 I124 L128 H138 I146 | F76-V156 PolarHBondContact O-N 2.84Å; L77-V156 HydrophobicContact CD2-CB 4.18Å; P78-V156 VanDerWaalsContact CD-O 3.23Å; P78-V156 WeakPolarHBondContact CD-O 3.47Å; I124-V156 HydrophobicContact CB-CG2 4.46Å; I124-V156 HydrophobicContact CG2-CG2 4.02Å; L128-V156 HydrophobicContact CD2-CG1 4.47Å; H138-V156 WeakPolarHBondContact CD2-CG1 3.24Å; H138-V156 WeakPolarHBondContact NE2-CG1 3.39Å; I146-V156 HydrophobicContact CD1-CB 4.37Å; I146-V156 HydrophobicContact CD1-CG1 4.25Å; I146-V156 HydrophobicContact CD1-CG2 4.01Å |
| 157 | S | 95.9 | Very high | 95.4 | Very high | 11 Ų | 11 | 24.7 Ų | 24.7 | 8% | 0.077 | 13% | 0.134 | C | C | . | . | trans | -116.3 | 172.5 | -177.1 | 76.2 | 0 | 0 | 0 | 0 | 112 | H138 N145 L147 | H138-S157 PolarHBondContact NE2-O 3.22Å; N145-S157 PolarHBondContact O-N 2.98Å; N145-S157 PolarHBondContact O-OG 2.79Å; L147-S157 WeakPolarHBondContact CG-OG 3.22Å | ||
| 158 | D | 92.9 | Very high | 95.1 | Very high | 35 Ų | 35 | 29.5 Ų | 29.5 | 19% | 0.187 | 16% | 0.159 | C | C | . | . | trans | 67.1 | 82.5 | 173.6 | -152.9 | 17.4 | 0 | 0 | 0 | 113.3 | K44 H138 D160 | K44-D158 IonicContact NZ-OD1 2.66Å; K44-D158 PolarHBondContact NZ-OD1 2.94Å; H138-D158 PolarHBondContact NE2-O 3Å; D158-D160 VanDerWaalsContact C-N 3.34Å; D158-D160 VanDerWaalsContact OD1-CG 3.28Å | ||
| 159 | L | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -96.3 | 14.2 | -176.9 | -54 | 176.6 | 0 | 0 | 0 | 112.3 | E60 I63 L64 L67 L131 R161 S162 | E60-L159 HydrophobicContact CG-CB 4.09Å; E60-L159 PolarHBondContact OE1-N 3.38Å; I63-L159 HydrophobicContact CG2-CB 4.12Å; I63-L159 HydrophobicContact CG2-CD1 3.6Å; I63-L159 HydrophobicContact CG2-CG 4.4Å; L64-L159 HydrophobicContact CD2-CD1 3.89Å; L64-L159 HydrophobicContact CG-CD1 4.4Å; L67-L159 HydrophobicContact CD1-CD1 3.53Å; L131-L159 HydrophobicContact CD1-CD2 4.06Å; L131-L159 HydrophobicContact CD2-CD2 4.42Å; L159-R161 PolarHBondContact O-N 2.73Å; L159-S162 WeakPolarHBondContact CD2-OG 3.25Å; L159-S162 WeakPolarHBondContact O-CB 3.23Å; L159-S162 PolarHBondContact O-N 2.94Å | ||
| 160 | D | 92 | Very high | 94.8 | Very high | 11 Ų | 11 | 42.3 Ų | 42.3 | 6% | 0.059 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -17.5 | -179.2 | 72.1 | -16.7 | 0 | 0 | 0 | 114 | C56 R59 E60 D158 | C56-D160 HydrophobicContact CB-CB 4.26Å; R59-D160 VanDerWaalsContact CD-O 3.31Å; R59-D160 WeakPolarHBondContact CD-O 3.27Å; R59-D160 PolarHBondContact NH1-O 3.45Å; E60-D160 HydrophobicContact CB-CB 4.31Å; D158-D160 VanDerWaalsContact C-N 3.34Å; D158-D160 VanDerWaalsContact OD1-CG 3.28Å |
| 161 | R | 92.3 | Very high | 94.8 | Very high | 11 Ų | 11 | 40.2 Ų | 40.2 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | -5.6 | 178.2 | -74.8 | -174 | 112 | 90 | 3.4 | 114.1 | D140 L159 T177 G178 G430 T431 | D140-R161 HydrophobicContact CB-CB 4.32Å; L159-R161 PolarHBondContact O-N 2.73Å; R161-T177 HydrophobicContact CB-CG2 3.6Å; R161-T177 HydrophobicContact CG-CG2 3.77Å; R161-T177 PolarHBondContact NE-OG1 3.09Å; R161-T177 PolarHBondContact NH2-OG1 3.29Å; R161-T177 WeakPolarHBondContact O-CG2 3.36Å; R161-G178 VanDerWaalsContact NE-CA 3.33Å; R161-G430 PolarHBondContact NH1-O 2.88Å; R161-G430 PolarHBondContact NH2-O 2.7Å; R161-T431 PolarHBondContact NH2-O 3.18Å |
| 162 | S | 96.5 | Very high | 94.7 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.007 | 21% | 0.209 | C | C | . | . | trans | -67.8 | 138.4 | -174.2 | -68.4 | 0 | 0 | 0 | 0 | 111.6 | R59 V137 H138 L159 | R59-S162 WeakPolarHBondContact CD-O 3.46Å; V137-S162 CarbonylContact O-C 3.49Å; V137-S162 WeakPolarHBondContact O-CA 3.47Å; V137-S162 WeakPolarHBondContact O-CB 3.37Å; H138-S162 WeakPolarHBondContact CA-OG 3.36Å; H138-S162 PolarHBondContact O-OG 3.17Å; L159-S162 WeakPolarHBondContact CD2-OG 3.25Å; L159-S162 WeakPolarHBondContact O-CB 3.23Å; L159-S162 PolarHBondContact O-N 2.94Å | ||
| 163 | Y | 97.1 | Very high | 94.3 | Very high | 23 Ų | 23 | 45.2 Ų | 45.2 | 9% | 0.09 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 127.2 | 179.7 | -179.2 | -100.3 | 0 | 0 | 0 | 110.5 | I136 V137 I165 I169 P171 D175 I193 | I136-Y163 WeakPolarHBondContact CA-O 3.38Å; V137-Y163 PolarHBondContact N-O 3.46Å; V137-Y163 PolarHBondContact O-N 2.81Å; Y163-I165 HydrophobicContact CD1-CG1 3.76Å; Y163-I165 HydrophobicContact CE1-CB 4.41Å; Y163-I165 HydrophobicContact CE1-CG1 3.8Å; Y163-I169 PolarHBondContact OH-O 3.06Å; Y163-P171 HydrophobicContact CE2-CB 3.95Å; Y163-P171 WeakPolarHBondContact OH-CD 3.44Å; Y163-D175 HydrophobicContact CD2-CB 3.95Å; Y163-D175 HydrophobicContact CE2-CB 4.16Å; Y163-I193 HydrophobicContact CD1-CB 4.16Å; Y163-I193 HydrophobicContact CD1-CD1 4.5Å; Y163-I193 HydrophobicContact CD1-CG2 3.46Å; Y163-I193 VanDerWaalsContact CD1-CG2 3.46Å; Y163-I193 HydrophobicContact CD2-CD1 4.35Å; Y163-I193 HydrophobicContact CE1-CB 4.47Å; Y163-I193 HydrophobicContact CE1-CG2 4.2Å; Y163-I193 HydrophobicContact CG-CD1 4.21Å; Y163-I193 HydrophobicContact CG-CG2 3.89Å |
| 164 | D | 96.7 | Very high | 93.8 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.011 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 100.4 | 178.6 | 179 | 9.6 | 0 | 0 | 0 | 110.6 | R62 R66 I136 S166 Q167 | R62-D164 IonicContact CZ-OD2 3.53Å; R62-D164 IonicContact NH1-OD2 3.72Å; R62-D164 PolarHBondContact NH1-OD2 3.16Å; R62-D164 IonicContact NH2-OD2 2.9Å; R62-D164 PolarHBondContact NH2-OD2 3.39Å; R66-D164 IonicContact CZ-OD2 3.59Å; R66-D164 IonicContact NH1-OD1 3.63Å; R66-D164 PolarHBondContact NH1-OD1 3.29Å; R66-D164 IonicContact NH1-OD2 2.76Å; R66-D164 PolarHBondContact NH1-OD2 3Å; I136-D164 HydrophobicContact CG1-CB 4.47Å; D164-S166 VanDerWaalsContact CG-OG 3.3Å; D164-S166 PolarHBondContact O-N 3.06Å; D164-S166 WeakPolarHBondContact OD1-CB 3.42Å; D164-S166 PolarHBondContact OD1-N 3.46Å; D164-S166 PolarHBondContact OD1-OG 3.49Å; D164-S166 PolarHBondContact OD2-OG 2.98Å; D164-Q167 HydrophobicContact CB-CG 4.3Å; D164-Q167 PolarHBondContact O-N 2.73Å |
| 165 | I | 96.6 | Very high | 93.5 | Very high | 58 Ų | 58 | 47.9 Ų | 47.9 | 30% | 0.297 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -63.5 | -30.1 | -179.5 | -59.3 | 168.5 | 0 | 0 | 0 | 110.7 | S135 V137 Y163 Q167 N168 T195 | S135-I165 WeakPolarHBondContact O-CB 3.37Å; S135-I165 PolarHBondContact O-N 3.22Å; V137-I165 HydrophobicContact CG2-CD1 3.54Å; V137-I165 HydrophobicContact CG2-CG1 4.09Å; Y163-I165 HydrophobicContact CD1-CG1 3.76Å; Y163-I165 HydrophobicContact CE1-CB 4.41Å; Y163-I165 HydrophobicContact CE1-CG1 3.8Å; I165-Q167 PolarHBondContact O-N 3.29Å; I165-Q167 VanDerWaalsContact O-N 3.08Å; I165-N168 PolarHBondContact O-N 2.97Å; I165-T195 HydrophobicContact CD1-CG2 4.47Å |
| 166 | S | 95 | Very high | 93.2 | Very high | 50 Ų | 50 | 47.9 Ų | 47.9 | 35% | 0.35 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -65.6 | -14.8 | -176.9 | 72.8 | 0 | 0 | 0 | 0 | 113.9 | R66 D164 N168 | R66-S166 PolarHBondContact NH1-OG 3.41Å; D164-S166 VanDerWaalsContact CG-OG 3.3Å; D164-S166 PolarHBondContact O-N 3.06Å; D164-S166 WeakPolarHBondContact OD1-CB 3.42Å; D164-S166 PolarHBondContact OD1-N 3.46Å; D164-S166 PolarHBondContact OD1-OG 3.49Å; D164-S166 PolarHBondContact OD2-OG 2.98Å; S166-N168 PolarHBondContact O-N 3.22Å; S166-N168 PolarHBondContact O-ND2 3.17Å |
| 167 | Q | 92.9 | Very high | 92.6 | Very high | 79 Ų | 79 | 48.1 Ų | 48.1 | 37% | 0.369 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -65.8 | -18.9 | 173 | -71 | -174 | 98.5 | 0 | 0 | 113.1 | R62 D164 I165 I169 | R62-Q167 VanDerWaalsContact CZ-CG 3.46Å; R62-Q167 VanDerWaalsContact NH1-NE2 3.11Å; D164-Q167 HydrophobicContact CB-CG 4.3Å; D164-Q167 PolarHBondContact O-N 2.73Å; I165-Q167 PolarHBondContact O-N 3.29Å; I165-Q167 VanDerWaalsContact O-N 3.08Å; Q167-I169 HydrophobicContact CB-CB 4.44Å; Q167-I169 HydrophobicContact CB-CD1 4.05Å; Q167-I169 HydrophobicContact CB-CG1 4.1Å; Q167-I169 PolarHBondContact O-N 3.28Å; Q167-I169 VanDerWaalsContact O-N 3.1Å |
| 168 | N | 90.3 | Very high | 92.2 | Very high | 151 Ų | 151 | 47.6 Ų | 47.6 | 81% | 0.807 | 25% | 0.247 | S | C | * | . | trans | 54.6 | 25.7 | -175.6 | -57.9 | -59 | 0 | 0 | 0 | 113.7 | I165 S166 | I165-N168 PolarHBondContact O-N 2.97Å; S166-N168 PolarHBondContact O-N 3.22Å; S166-N168 PolarHBondContact O-ND2 3.17Å | ||
| 169 | I | 91 | Very high | 92.1 | Very high | 101 Ų | 101 | 46 Ų | 46 | 52% | 0.518 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -96.7 | 125.5 | 175.3 | -62.6 | 169.8 | 0 | 0 | 0 | 107.8 | Y163 Q167 | Y163-I169 PolarHBondContact OH-O 3.06Å; Q167-I169 HydrophobicContact CB-CB 4.44Å; Q167-I169 HydrophobicContact CB-CD1 4.05Å; Q167-I169 HydrophobicContact CB-CG1 4.1Å; Q167-I169 PolarHBondContact O-N 3.28Å; Q167-I169 VanDerWaalsContact O-N 3.1Å |
| 170 | K | 91.1 | Very high | 92 | Very high | 185 Ų | 185 | 46 Ų | 46 | 80% | 0.804 | 24% | 0.239 | S | C | * | . | P | Polyproline II helix | trans | -56.9 | 131.2 | 176.2 | -174.4 | -179.8 | 178.2 | -179.3 | 0 | 110 | T172 | K170-T172 PolarHBondContact O-N 2.91Š|
| 171 | P | 92.6 | Very high | 92 | Very high | 37 Ų | 37 | 45.7 Ų | 45.7 | 24% | 0.24 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -62.9 | 138.3 | -179.2 | 25.8 | -33.5 | 0 | 0 | 0 | 110.9 | Y163 D175 F176 I193 | Y163-P171 HydrophobicContact CE2-CB 3.95Å; Y163-P171 WeakPolarHBondContact OH-CD 3.44Å; P171-D175 HydrophobicContact CB-CB 3.99Å; P171-F176 HydrophobicContact CB-CE2 3.99Å; P171-F176 HydrophobicContact CB-CZ 4.17Å; P171-F176 HydrophobicContact CG-CE2 4.13Å; P171-F176 HydrophobicContact CG-CZ 3.92Å; P171-I193 HydrophobicContact CB-CD1 3.96Å |
| 172 | T | 90.7 | Very high | 92.2 | Very high | 69 Ų | 69 | 45.2 Ų | 45.2 | 42% | 0.423 | 24% | 0.235 | S | C | . | . | P | Polyproline II helix | trans | -89.2 | 169.9 | 171 | 65.8 | 0 | 0 | 0 | 0 | 110.2 | K170 D174 D175 F176 | K170-T172 PolarHBondContact O-N 2.91Å; T172-D174 PolarHBondContact O-N 3.48Å; T172-D174 VanDerWaalsContact O-N 3.17Å; T172-D174 PolarHBondContact OG1-N 3.13Å; T172-D175 PolarHBondContact N-OD2 3.26Å; T172-D175 WeakPolarHBondContact O-CB 3.33Å; T172-D175 PolarHBondContact O-N 3.44Å; T172-D175 PolarHBondContact OG1-OD2 3.21Å; T172-F176 WeakPolarHBondContact O-CD2 3.38Å |
| 173 | L | 87.6 | Confident | 92.1 | Very high | 103 Ų | 103 | 45.3 Ų | 45.3 | 54% | 0.539 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -58.1 | -27.9 | 174.6 | -67.6 | 177.7 | 0 | 0 | 0 | 112.4 | D175 F176 S432 I433 | L173-D175 VanDerWaalsContact C-N 3.27Å; L173-D175 PolarHBondContact O-N 2.75Å; L173-F176 PolarHBondContact O-N 3.31Å; L173-S432 PolarHBondContact O-OG 3.24Å; L173-S432 VanDerWaalsContact O-OG 3.07Å; L173-I433 HydrophobicContact CD2-CG2 4.27Å |
| 174 | D | 87 | Confident | 92.2 | Very high | 46 Ų | 46 | 44.3 Ų | 44.3 | 25% | 0.246 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -70 | -24 | 178.1 | -63.5 | -13.8 | 0 | 0 | 0 | 113 | K55 T172 S432 | K55-D174 IonicContact NZ-OD2 2.72Å; K55-D174 PolarHBondContact NZ-OD2 2.97Å; T172-D174 PolarHBondContact O-N 3.48Å; T172-D174 VanDerWaalsContact O-N 3.17Å; T172-D174 PolarHBondContact OG1-N 3.13Å; D174-S432 VanDerWaalsContact C-OG 3.3Å; D174-S432 WeakPolarHBondContact CA-OG 3.5Å; D174-S432 PolarHBondContact O-OG 3.24Å |
| 175 | D | 91.1 | Very high | 92.2 | Very high | 24 Ų | 24 | 44.2 Ų | 44.2 | 13% | 0.128 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -81.7 | -22.4 | 178.3 | -60.1 | -54.8 | 0 | 0 | 0 | 112 | R59 Y163 P171 T172 L173 T177 I193 | R59-D175 IonicContact CZ-OD1 2.84Å; R59-D175 IonicContact NH2-OD1 3.2Å; R59-D175 PolarHBondContact NH2-OD1 2.99Å; Y163-D175 HydrophobicContact CD2-CB 3.95Å; Y163-D175 HydrophobicContact CE2-CB 4.16Å; P171-D175 HydrophobicContact CB-CB 3.99Å; T172-D175 PolarHBondContact N-OD2 3.26Å; T172-D175 WeakPolarHBondContact O-CB 3.33Å; T172-D175 PolarHBondContact O-N 3.44Å; T172-D175 PolarHBondContact OG1-OD2 3.21Å; L173-D175 VanDerWaalsContact C-N 3.27Å; L173-D175 PolarHBondContact O-N 2.75Å; D175-T177 WeakPolarHBondContact O-CG2 3.2Å; D175-T177 PolarHBondContact O-N 3.44Å; D175-I193 HydrophobicContact CB-CD1 4.12Å; D175-I193 WeakPolarHBondContact O-CD1 3.35Å |
| 176 | F | 92.1 | Very high | 92.3 | Very high | 9 Ų | 9 | 41.6 Ų | 41.6 | 4% | 0.039 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -79.9 | 90.2 | 174.6 | -67.4 | -81.5 | 0 | 0 | 0 | 110.3 | P171 T172 L173 V187 G190 I193 S432 I433 | P171-F176 HydrophobicContact CB-CE2 3.99Å; P171-F176 HydrophobicContact CB-CZ 4.17Å; P171-F176 HydrophobicContact CG-CE2 4.13Å; P171-F176 HydrophobicContact CG-CZ 3.92Å; T172-F176 WeakPolarHBondContact O-CD2 3.38Å; L173-F176 PolarHBondContact O-N 3.31Å; F176-V187 HydrophobicContact CD1-CG1 4.3Å; F176-V187 WeakPolarHBondContact CD1-O 3.23Å; F176-G190 VanDerWaalsContact CZ-O 3.25Å; F176-G190 WeakPolarHBondContact CZ-O 3.46Å; F176-I193 HydrophobicContact CD1-CD1 3.88Å; F176-I193 HydrophobicContact CD1-CG1 3.79Å; F176-I193 HydrophobicContact CE1-CD1 3.97Å; F176-I193 HydrophobicContact CE1-CG1 3.66Å; F176-I193 HydrophobicContact CG-CD1 4.29Å; F176-I193 HydrophobicContact CZ-CD1 4.41Å; F176-I193 HydrophobicContact CZ-CG1 4.42Å; F176-S432 PolarHBondContact O-OG 2.92Å; F176-I433 HydrophobicContact CB-CB 4.31Å; F176-I433 HydrophobicContact CB-CD1 3.66Å; F176-I433 HydrophobicContact CB-CG1 4.06Å; F176-I433 HydrophobicContact CG-CD1 4.46Å; F176-I433 WeakPolarHBondContact O-CG1 3.43Å; F176-I433 PolarHBondContact O-N 3.34Å |
| 177 | T | 87.3 | Confident | 92.4 | Very high | 5 Ų | 5 | 39.3 Ų | 39.3 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 149.3 | -158.6 | -152.6 | 0 | 0 | 0 | 0 | 110.1 | L139 R161 D175 | L139-T177 HydrophobicContact CD1-CG2 4.2Å; R161-T177 HydrophobicContact CB-CG2 3.6Å; R161-T177 HydrophobicContact CG-CG2 3.77Å; R161-T177 PolarHBondContact NE-OG1 3.09Å; R161-T177 PolarHBondContact NH2-OG1 3.29Å; R161-T177 WeakPolarHBondContact O-CG2 3.36Å; D175-T177 WeakPolarHBondContact O-CG2 3.2Å; D175-T177 PolarHBondContact O-N 3.44Å |
| 178 | G | 87.1 | Confident | 92.5 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 153.8 | -175.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | R161 P180 M183 G430 T431 | R161-G178 VanDerWaalsContact NE-CA 3.33Å; G178-P180 WeakPolarHBondContact O-CD 3.4Å; G178-M183 VanDerWaalsContact C-CE 3.41Å; G178-M183 VanDerWaalsContact N-CE 3.34Å; G178-M183 VanDerWaalsContact O-CE 3.26Å; G178-M183 WeakPolarHBondContact O-CE 3.22Å; G178-G430 WeakPolarHBondContact O-CA 3.16Å; G178-T431 PolarHBondContact O-N 3.05Å |
| 179 | T | 91.2 | Very high | 92.8 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.012 | 16% | 0.16 | C | C | . | . | trans | -87.5 | 116.4 | 174.7 | -54.4 | 0 | 0 | 0 | 0 | 110.1 | D140 K142 L181 F182 M183 | D140-T179 WeakPolarHBondContact OD1-CB 3.27Å; D140-T179 PolarHBondContact OD1-N 3Å; D140-T179 PolarHBondContact OD1-OG1 3.44Å; K142-T179 HydrophobicContact CD-CG2 4.48Å; K142-T179 VanDerWaalsContact CD-OG1 3.27Å; K142-T179 WeakPolarHBondContact CD-OG1 3.46Å; K142-T179 PolarHBondContact NZ-OG1 2.74Å; T179-L181 HydrophobicContact CG2-CB 4.37Å; T179-L181 PolarHBondContact O-N 3.43Å; T179-F182 HydrophobicContact CG2-CD2 3.96Å; T179-F182 HydrophobicContact CG2-CE2 4.48Å; T179-F182 PolarHBondContact O-N 2.82Å; T179-M183 WeakPolarHBondContact O-CB 3.33Å; T179-M183 PolarHBondContact O-N 3.21Å | ||
| 180 | P | 92.6 | Very high | 93 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -28.1 | -174.2 | -31 | 37.3 | 0 | 0 | 0 | 115.1 | G178 F182 R215 E224 F225 | G178-P180 WeakPolarHBondContact O-CD 3.4Å; P180-F182 VanDerWaalsContact C-N 3.26Å; P180-F182 PolarHBondContact O-N 3.28Å; P180-R215 PolarHBondContact O-NH1 2.86Å; P180-E224 HydrophobicContact CB-CB 3.74Å; P180-E224 HydrophobicContact CG-CB 4.41Å; P180-F225 HydrophobicContact CG-CD1 4.34Å; P180-F225 HydrophobicContact CG-CD2 3.86Å; P180-F225 HydrophobicContact CG-CE1 4.11Å; P180-F225 HydrophobicContact CG-CE2 3.58Å; P180-F225 HydrophobicContact CG-CG 4.23Å; P180-F225 HydrophobicContact CG-CZ 3.71Å |
| 181 | L | 93.3 | Very high | 93.2 | Very high | 4 Ų | 4 | 25.2 Ų | 25.2 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -24.6 | 176.9 | -64 | 171.9 | 0 | 0 | 0 | 113.7 | T179 R215 R427 | T179-L181 HydrophobicContact CG2-CB 4.37Å; T179-L181 PolarHBondContact O-N 3.43Å; L181-R215 HydrophobicContact CD2-CB 3.91Å; L181-R427 HydrophobicContact CD1-CG 3.91Å |
| 182 | F | 96 | Very high | 93.3 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 0% | 0.004 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | -12.6 | -179.3 | -61.3 | -91.7 | 0 | 0 | 0 | 113 | K142 P143 T179 P180 W200 S201 V204 E208 | K142-F182 HydrophobicContact CB-CD1 4.13Å; K142-F182 HydrophobicContact CB-CD2 3.73Å; K142-F182 HydrophobicContact CB-CE1 4.21Å; K142-F182 HydrophobicContact CB-CE2 3.81Å; K142-F182 HydrophobicContact CB-CG 3.91Å; K142-F182 HydrophobicContact CB-CZ 4.06Å; P143-F182 HydrophobicContact CG-CE1 4.44Å; P143-F182 HydrophobicContact CG-CZ 4.21Å; T179-F182 HydrophobicContact CG2-CD2 3.96Å; T179-F182 HydrophobicContact CG2-CE2 4.48Å; T179-F182 PolarHBondContact O-N 2.82Å; P180-F182 VanDerWaalsContact C-N 3.26Å; P180-F182 PolarHBondContact O-N 3.28Å; F182-W200 VanDerWaalsContact O-CD1 3.26Å; F182-S201 PolarHBondContact O-OG 2.8Å; F182-V204 HydrophobicContact CD1-CB 3.96Å; F182-V204 HydrophobicContact CD1-CG1 3.48Å; F182-V204 VanDerWaalsContact CD1-CG1 3.48Å; F182-V204 HydrophobicContact CE1-CG1 3.85Å; F182-V204 HydrophobicContact CG-CG1 4.2Å; F182-E208 WeakPolarHBondContact CZ-OE2 3.47Å |
| 183 | M | 95.5 | Very high | 93.6 | Very high | 3 Ų | 3 | 22.2 Ų | 22.2 | 2% | 0.015 | 12% | 0.118 | C | C | . | . | trans | -64.1 | 134.1 | -174.8 | -169.8 | 179.9 | -72.5 | 0 | 0 | 112.2 | G178 T179 V187 A188 W200 R215 F225 A228 | G178-M183 VanDerWaalsContact C-CE 3.41Å; G178-M183 VanDerWaalsContact N-CE 3.34Å; G178-M183 VanDerWaalsContact O-CE 3.26Å; G178-M183 WeakPolarHBondContact O-CE 3.22Å; T179-M183 WeakPolarHBondContact O-CB 3.33Å; T179-M183 PolarHBondContact O-N 3.21Å; M183-V187 HydrophobicContact CG-CB 4.07Å; M183-V187 HydrophobicContact CG-CG1 3.96Å; M183-V187 HydrophobicContact SD-CG1 4.26Å; M183-A188 HydrophobicContact CG-CB 3.99Å; M183-A188 WeakPolarHBondContact SD-CA 3.2Å; M183-A188 HydrophobicContact SD-CB 3.53Å; M183-A188 VanDerWaalsContact SD-CB 3.53Å; M183-W200 PolarHBondContact O-NE1 3.43Å; M183-R215 PolarHBondContact O-NH1 2.92Å; M183-F225 HydrophobicContact CE-CE1 3.77Å; M183-F225 HydrophobicContact CE-CZ 4.25Å; M183-F225 HydrophobicContact SD-CD1 4.24Å; M183-F225 HydrophobicContact SD-CE1 3.78Å; M183-A228 HydrophobicContact CB-CB 4.41Å | ||
| 184 | A | 97.7 | Very high | 94 | Very high | 2 Ų | 2 | 18.3 Ų | 18.3 | 2% | 0.017 | 10% | 0.097 | C | C | . | . | trans | -67.8 | 147.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | E186 V187 A188 W200 | A184-E186 WeakPolarHBondContact CB-OE1 3.38Å; A184-E186 PolarHBondContact O-N 2.87Å; A184-V187 HydrophobicContact CB-CB 4.48Å; A184-V187 HydrophobicContact CB-CG2 4.16Å; A184-V187 PolarHBondContact O-N 2.95Å; A184-A188 PolarHBondContact O-N 2.82Å; A184-W200 VanDerWaalsContact CA-CD1 3.46Å; A184-W200 HydrophobicContact CB-CB 3.75Å; A184-W200 HydrophobicContact CB-CD2 4.47Å; A184-W200 HydrophobicContact CB-CG 3.78Å | ||
| 185 | P | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.5 | -40.3 | -174.6 | -23.6 | 34.6 | 0 | 0 | 0 | 114.2 | V187 A188 R189 W200 A228 | P185-V187 VanDerWaalsContact C-N 3.33Å; P185-A188 PolarHBondContact O-N 2.77Å; P185-R189 WeakPolarHBondContact O-CB 3.18Å; P185-R189 VanDerWaalsContact O-CG 3.31Å; P185-R189 WeakPolarHBondContact O-CG 3.45Å; P185-R189 PolarHBondContact O-N 2.58Å; P185-W200 HydrophobicContact CG-CD2 4.42Å; P185-W200 HydrophobicContact CG-CE3 4.19Å; P185-W200 HydrophobicContact CG-CH2 3.75Å; P185-W200 HydrophobicContact CG-CZ2 4.02Å; P185-W200 HydrophobicContact CG-CZ3 3.84Å; P185-A228 VanDerWaalsContact CA-O 3.32Å; P185-A228 WeakPolarHBondContact CA-O 3.46Å |
| 186 | E | 97.8 | Very high | 94.8 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.009 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -66.2 | -35.2 | 178.2 | 69.3 | -74 | 178.4 | 0 | 0 | 112.3 | A184 R189 G190 E191 A192 S197 H257 R260 | A184-E186 WeakPolarHBondContact CB-OE1 3.38Å; A184-E186 PolarHBondContact O-N 2.87Å; E186-R189 PolarHBondContact O-N 3.34Å; E186-G190 PolarHBondContact O-N 3.07Å; E186-E191 HydrophobicContact CB-CB 4.47Å; E186-E191 PolarHBondContact O-N 2.89Å; E186-A192 HydrophobicContact CG-CB 4.4Å; E186-S197 PolarHBondContact OE1-OG 3.3Å; E186-H257 HydrophobicContact CG-CB 4Å; E186-R260 IonicContact OE1-CZ 3.07Å; E186-R260 IonicContact OE1-NH1 3.22Å; E186-R260 PolarHBondContact OE1-NH1 2.8Å; E186-R260 IonicContact OE1-NH2 2.69Å; E186-R260 IonicContact OE2-CZ 2.81Å; E186-R260 IonicContact OE2-NH1 2.72Å; E186-R260 PolarHBondContact OE2-NH1 2.74Å; E186-R260 IonicContact OE2-NH2 3.73Å; E186-R260 PolarHBondContact OE2-NH2 3.45Å |
| 187 | V | 97.4 | Very high | 95.1 | Very high | 3 Ų | 3 | 17.1 Ų | 17.1 | 2% | 0.018 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -68.9 | -47.4 | 174.2 | 177.9 | 0 | 0 | 0 | 0 | 109.4 | L139 F176 M183 A184 P185 R189 G190 S197 I433 | L139-V187 HydrophobicContact CD2-CG1 4.39Å; L139-V187 HydrophobicContact CD2-CG2 3.99Å; F176-V187 HydrophobicContact CD1-CG1 4.3Å; F176-V187 WeakPolarHBondContact CD1-O 3.23Å; M183-V187 HydrophobicContact CG-CB 4.07Å; M183-V187 HydrophobicContact CG-CG1 3.96Å; M183-V187 HydrophobicContact SD-CG1 4.26Å; A184-V187 HydrophobicContact CB-CB 4.48Å; A184-V187 HydrophobicContact CB-CG2 4.16Å; A184-V187 PolarHBondContact O-N 2.95Å; P185-V187 VanDerWaalsContact C-N 3.33Å; V187-R189 PolarHBondContact O-N 3.31Å; V187-G190 PolarHBondContact O-N 3.27Å; V187-S197 WeakPolarHBondContact CG2-OG 3.44Å; V187-I433 WeakPolarHBondContact O-CD1 3.3Å |
| 188 | A | 95.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.2 | -23.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | M183 A184 P185 A228 R229 I433 | M183-A188 HydrophobicContact CG-CB 3.99Å; M183-A188 WeakPolarHBondContact SD-CA 3.2Å; M183-A188 HydrophobicContact SD-CB 3.53Å; M183-A188 VanDerWaalsContact SD-CB 3.53Å; A184-A188 PolarHBondContact O-N 2.82Å; P185-A188 PolarHBondContact O-N 2.77Å; A188-A228 HydrophobicContact CB-CB 3.62Å; A188-R229 HydrophobicContact CB-CG 3.89Å; A188-R229 WeakPolarHBondContact O-CG 3.49Å; A188-R229 PolarHBondContact O-NE 2.84Å; A188-I433 VanDerWaalsContact O-CD1 3.29Å; A188-I433 WeakPolarHBondContact O-CD1 3.35Å |
| 189 | R | 95.9 | Very high | 96.2 | Very high | 80 Ų | 80 | 16.9 Ų | 16.9 | 30% | 0.302 | 9% | 0.088 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -6.9 | 174.8 | -71 | -169.4 | -55.4 | -103.6 | 0.7 | 113.3 | P185 E186 V187 E191 R229 | P185-R189 WeakPolarHBondContact O-CB 3.18Å; P185-R189 VanDerWaalsContact O-CG 3.31Å; P185-R189 WeakPolarHBondContact O-CG 3.45Å; P185-R189 PolarHBondContact O-N 2.58Å; E186-R189 PolarHBondContact O-N 3.34Å; V187-R189 PolarHBondContact O-N 3.31Å; R189-E191 VanDerWaalsContact C-N 3.32Å; R189-E191 HydrophobicContact CB-CG 3.77Å; R189-E191 VanDerWaalsContact CD-OE1 3.29Å; R189-E191 WeakPolarHBondContact CD-OE1 3.32Å; R189-E191 IonicContact CZ-OE1 3.54Å; R189-E191 IonicContact CZ-OE2 3.56Å; R189-E191 VanDerWaalsContact CZ-OE2 3.27Å; R189-E191 IonicContact NE-OE1 3.74Å; R189-E191 PolarHBondContact NE-OE1 3.04Å; R189-E191 IonicContact NE-OE2 3.42Å; R189-E191 PolarHBondContact NE-OE2 3.14Å; R189-E191 IonicContact NH2-OE1 2.77Å; R189-E191 IonicContact NH2-OE2 2.82Å; R189-E191 PolarHBondContact NH2-OE2 2.97Å; R189-R229 HydrophobicContact CG-CB 3.8Å; R189-R229 HydrophobicContact CG-CG 3.78Å; R189-R229 PolarHBondContact NH1-O 3.47Å |
| 190 | G | 95.1 | Very high | 96.6 | Very high | 25 Ų | 25 | 16.8 Ų | 16.8 | 26% | 0.258 | 9% | 0.088 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 25.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | F176 E186 V187 | F176-G190 VanDerWaalsContact CZ-O 3.25Å; F176-G190 WeakPolarHBondContact CZ-O 3.46Å; E186-G190 PolarHBondContact O-N 3.07Å; V187-G190 PolarHBondContact O-N 3.27Å |
| 191 | E | 95.4 | Very high | 96.9 | Very high | 115 Ų | 115 | 16.9 Ų | 16.9 | 54% | 0.537 | 9% | 0.089 | S | C | . | . | S | Bend | trans | -93.9 | -49.2 | -170.8 | -71.9 | 170.8 | -179.9 | 0 | 0 | 112.8 | E186 R189 | E186-E191 HydrophobicContact CB-CB 4.47Å; E186-E191 PolarHBondContact O-N 2.89Å; R189-E191 VanDerWaalsContact C-N 3.32Å; R189-E191 HydrophobicContact CB-CG 3.77Å; R189-E191 VanDerWaalsContact CD-OE1 3.29Å; R189-E191 WeakPolarHBondContact CD-OE1 3.32Å; R189-E191 IonicContact CZ-OE1 3.54Å; R189-E191 IonicContact CZ-OE2 3.56Å; R189-E191 VanDerWaalsContact CZ-OE2 3.27Å; R189-E191 IonicContact NE-OE1 3.74Å; R189-E191 PolarHBondContact NE-OE1 3.04Å; R189-E191 IonicContact NE-OE2 3.42Å; R189-E191 PolarHBondContact NE-OE2 3.14Å; R189-E191 IonicContact NH2-OE1 2.77Å; R189-E191 IonicContact NH2-OE2 2.82Å; R189-E191 PolarHBondContact NH2-OE2 2.97Å |
| 192 | A | 95.4 | Very high | 97.1 | Very high | 24 Ų | 24 | 16.7 Ų | 16.7 | 20% | 0.198 | 9% | 0.088 | C | C | . | . | trans | -152.2 | 146.4 | -175 | 0 | 0 | 0 | 0 | 0 | 111.3 | E186 | E186-A192 HydrophobicContact CG-CB 4.4Š| ||
| 193 | I | 96.8 | Very high | 97.3 | Very high | 19 Ų | 19 | 16.7 Ų | 16.7 | 10% | 0.097 | 9% | 0.087 | C | C | . | . | trans | -121.6 | 118 | 166.2 | -67.2 | 167.3 | 0 | 0 | 0 | 106.4 | V137 L139 Y163 P171 D175 F176 | V137-I193 HydrophobicContact CB-CG2 4.23Å; V137-I193 HydrophobicContact CG1-CG2 4.39Å; V137-I193 HydrophobicContact CG2-CG2 4.12Å; L139-I193 HydrophobicContact CD1-CD1 4.1Å; L139-I193 HydrophobicContact CD1-CG1 4.4Å; L139-I193 HydrophobicContact CD1-CG2 4.09Å; L139-I193 HydrophobicContact CD2-CG2 4.06Å; L139-I193 HydrophobicContact CG-CG2 4.43Å; Y163-I193 HydrophobicContact CD1-CB 4.16Å; Y163-I193 HydrophobicContact CD1-CD1 4.5Å; Y163-I193 HydrophobicContact CD1-CG2 3.46Å; Y163-I193 VanDerWaalsContact CD1-CG2 3.46Å; Y163-I193 HydrophobicContact CD2-CD1 4.35Å; Y163-I193 HydrophobicContact CE1-CB 4.47Å; Y163-I193 HydrophobicContact CE1-CG2 4.2Å; Y163-I193 HydrophobicContact CG-CD1 4.21Å; Y163-I193 HydrophobicContact CG-CG2 3.89Å; P171-I193 HydrophobicContact CB-CD1 3.96Å; D175-I193 HydrophobicContact CB-CD1 4.12Å; D175-I193 WeakPolarHBondContact O-CD1 3.35Å; F176-I193 HydrophobicContact CD1-CD1 3.88Å; F176-I193 HydrophobicContact CD1-CG1 3.79Å; F176-I193 HydrophobicContact CE1-CD1 3.97Å; F176-I193 HydrophobicContact CE1-CG1 3.66Å; F176-I193 HydrophobicContact CG-CD1 4.29Å; F176-I193 HydrophobicContact CZ-CD1 4.41Å; F176-I193 HydrophobicContact CZ-CG1 4.42Å | ||
| 194 | D | 95.3 | Very high | 97.4 | Very high | 20 Ų | 20 | 16.6 Ų | 16.6 | 11% | 0.107 | 9% | 0.087 | C | C | . | . | trans | -141.7 | 172.2 | 170.2 | 75.8 | 11 | 0 | 0 | 0 | 110.8 | V137 R196 S197 H257 | V137-D194 VanDerWaalsContact CG1-O 3.31Å; V137-D194 WeakPolarHBondContact CG1-O 3.38Å; D194-R196 PolarHBondContact O-N 2.97Å; D194-R196 VanDerWaalsContact O-N 3.07Å; D194-R196 VanDerWaalsContact OD1-CA 3.22Å; D194-R196 WeakPolarHBondContact OD1-CA 3.39Å; D194-R196 WeakPolarHBondContact OD1-CB 3.3Å; D194-R196 PolarHBondContact OD1-N 2.93Å; D194-R196 IonicContact OD1-NE 2.84Å; D194-R196 IonicContact OD2-CZ 3.02Å; D194-R196 VanDerWaalsContact OD2-CZ 3.24Å; D194-R196 IonicContact OD2-NE 3.94Å; D194-R196 PolarHBondContact OD2-NE 3.03Å; D194-R196 IonicContact OD2-NH2 3.44Å; D194-R196 PolarHBondContact OD2-NH2 3.19Å; D194-S197 VanDerWaalsContact O-CB 3.24Å; D194-S197 WeakPolarHBondContact O-CB 3.05Å; D194-S197 PolarHBondContact O-N 2.82Å; D194-S197 PolarHBondContact O-OG 3.4Å; D194-S197 PolarHBondContact OD1-N 3.02Å; D194-S197 VanDerWaalsContact OD1-N 3.14Å; D194-H257 IonicContact OD1-ND1 3.83Å; D194-H257 IonicContact OD2-CE1 3.81Å; D194-H257 PolarHBondContact OD2-CE1 3.02Å; D194-H257 IonicContact OD2-CG 2.92Å; D194-H257 IonicContact OD2-ND1 2.69Å; D194-H257 PolarHBondContact OD2-ND1 3.22Å | ||
| 195 | T | 98.2 | Very high | 97.4 | Very high | 20 Ų | 20 | 16.5 Ų | 16.5 | 12% | 0.123 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60.7 | -18.6 | 179 | 50.9 | 0 | 0 | 0 | 0 | 113.4 | H132 V137 I165 S197 D198 | H132-T195 HydrophobicContact CB-CG2 3.88Å; H132-T195 PolarHBondContact CE1-O 2.89Å; H132-T195 WeakPolarHBondContact ND1-CB 3.43Å; V137-T195 HydrophobicContact CG2-CG2 4.07Å; I165-T195 HydrophobicContact CD1-CG2 4.47Å; T195-S197 VanDerWaalsContact C-N 3.32Å; T195-D198 PolarHBondContact O-N 2.82Å |
| 196 | R | 98.5 | Very high | 97.5 | Very high | 32 Ų | 32 | 16.5 Ų | 16.5 | 12% | 0.121 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -81.2 | -10.9 | 175.8 | -61.4 | 168.8 | -68.5 | -158.7 | -8 | 113.1 | D194 D198 I199 W200 H257 R260 Y262 | D194-R196 PolarHBondContact O-N 2.97Å; D194-R196 VanDerWaalsContact O-N 3.07Å; D194-R196 VanDerWaalsContact OD1-CA 3.22Å; D194-R196 WeakPolarHBondContact OD1-CA 3.39Å; D194-R196 WeakPolarHBondContact OD1-CB 3.3Å; D194-R196 PolarHBondContact OD1-N 2.93Å; D194-R196 IonicContact OD1-NE 2.84Å; D194-R196 IonicContact OD2-CZ 3.02Å; D194-R196 VanDerWaalsContact OD2-CZ 3.24Å; D194-R196 IonicContact OD2-NE 3.94Å; D194-R196 PolarHBondContact OD2-NE 3.03Å; D194-R196 IonicContact OD2-NH2 3.44Å; D194-R196 PolarHBondContact OD2-NH2 3.19Å; R196-D198 VanDerWaalsContact C-N 3.32Å; R196-I199 HydrophobicContact CB-CG1 4.4Å; R196-I199 WeakPolarHBondContact O-CB 3.21Å; R196-I199 PolarHBondContact O-N 3Å; R196-W200 PolarHBondContact O-N 2.89Å; R196-H257 WeakPolarHBondContact CD-O 3.41Å; R196-R260 HydrophobicContact CB-CB 4.17Å; R196-R260 VanDerWaalsContact CD-O 3.24Å; R196-R260 WeakPolarHBondContact CD-O 3.46Å; R196-R260 HydrophobicContact CG-CB 4.48Å; R196-R260 WeakPolarHBondContact O-CD 3.25Å; R196-R260 PolarHBondContact O-NH1 2.76Å; R196-Y262 HydrophobicContact CG-CD1 4.01Å; R196-Y262 HydrophobicContact CG-CE1 4.1Å; R196-Y262 PolarHBondContact NH1-OH 3.18Å |
| 197 | S | 98.3 | Very high | 97.5 | Very high | 2 Ų | 2 | 16.4 Ų | 16.4 | 1% | 0.014 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -62.9 | -40.5 | 167 | -59.5 | 0 | 0 | 0 | 0 | 111 | E186 V187 D194 T195 I199 W200 S201 | E186-S197 PolarHBondContact OE1-OG 3.3Å; V187-S197 WeakPolarHBondContact CG2-OG 3.44Å; D194-S197 VanDerWaalsContact O-CB 3.24Å; D194-S197 WeakPolarHBondContact O-CB 3.05Å; D194-S197 PolarHBondContact O-N 2.82Å; D194-S197 PolarHBondContact O-OG 3.4Å; D194-S197 PolarHBondContact OD1-N 3.02Å; D194-S197 VanDerWaalsContact OD1-N 3.14Å; T195-S197 VanDerWaalsContact C-N 3.32Å; S197-I199 PolarHBondContact O-N 2.8Å; S197-W200 WeakPolarHBondContact O-CB 3.46Å; S197-W200 PolarHBondContact O-N 2.71Å; S197-S201 PolarHBondContact O-N 2.92Å |
| 198 | D | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65 | -29.3 | 174.5 | -70.1 | -24.5 | 0 | 0 | 0 | 112.5 | L128 H132 V137 H138 L139 T195 R196 W200 S201 L202 | L128-D198 HydrophobicContact CD1-CB 4.46Å; H132-D198 IonicContact CD2-OD2 2.63Å; H132-D198 IonicContact CE1-OD2 3.55Å; H132-D198 IonicContact NE2-OD2 2.75Å; H132-D198 PolarHBondContact NE2-OD2 3.34Å; V137-D198 WeakPolarHBondContact CG1-OD2 3.36Å; H138-D198 PolarHBondContact N-OD1 3.41Å; H138-D198 PolarHBondContact N-OD2 3.19Å; L139-D198 PolarHBondContact N-OD1 3.42Å; T195-D198 PolarHBondContact O-N 2.82Å; R196-D198 VanDerWaalsContact C-N 3.32Å; D198-W200 VanDerWaalsContact C-N 3.32Å; D198-W200 PolarHBondContact O-N 3.38Å; D198-S201 PolarHBondContact O-N 2.76Å; D198-L202 VanDerWaalsContact O-CB 3.3Å; D198-L202 WeakPolarHBondContact O-CB 3.31Å; D198-L202 PolarHBondContact O-N 3.45Å |
| 199 | I | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -67.1 | -35.1 | 178.7 | -53.6 | -58.2 | 0 | 0 | 0 | 111.3 | R196 S197 G203 C252 R260 L263 V266 | R196-I199 HydrophobicContact CB-CG1 4.4Å; R196-I199 WeakPolarHBondContact O-CB 3.21Å; R196-I199 PolarHBondContact O-N 3Å; S197-I199 PolarHBondContact O-N 2.8Å; I199-G203 PolarHBondContact O-N 2.84Å; I199-C252 HydrophobicContact CG2-CB 4.01Å; I199-R260 HydrophobicContact CG2-CB 4.46Å; I199-L263 HydrophobicContact CD1-CD2 3.36Å; I199-L263 HydrophobicContact CD1-CG 3.71Å; I199-V266 HydrophobicContact CD1-CG2 4Å; I199-V266 HydrophobicContact CG2-CG2 3.89Å |
| 200 | W | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -63.3 | -51.9 | 170.8 | 174.5 | -78.3 | 0 | 0 | 0 | 110.6 | F182 M183 A184 P185 R196 S197 D198 L202 G203 V204 Y233 L253 Q254 | F182-W200 VanDerWaalsContact O-CD1 3.26Å; M183-W200 PolarHBondContact O-NE1 3.43Å; A184-W200 VanDerWaalsContact CA-CD1 3.46Å; A184-W200 HydrophobicContact CB-CB 3.75Å; A184-W200 HydrophobicContact CB-CD2 4.47Å; A184-W200 HydrophobicContact CB-CG 3.78Å; P185-W200 HydrophobicContact CG-CD2 4.42Å; P185-W200 HydrophobicContact CG-CE3 4.19Å; P185-W200 HydrophobicContact CG-CH2 3.75Å; P185-W200 HydrophobicContact CG-CZ2 4.02Å; P185-W200 HydrophobicContact CG-CZ3 3.84Å; R196-W200 PolarHBondContact O-N 2.89Å; S197-W200 WeakPolarHBondContact O-CB 3.46Å; S197-W200 PolarHBondContact O-N 2.71Å; D198-W200 VanDerWaalsContact C-N 3.32Å; D198-W200 PolarHBondContact O-N 3.38Å; W200-L202 VanDerWaalsContact C-N 3.28Å; W200-L202 PolarHBondContact O-N 2.85Å; W200-G203 WeakPolarHBondContact O-CA 3.37Å; W200-G203 PolarHBondContact O-N 2.9Å; W200-V204 WeakPolarHBondContact O-CG2 3.43Å; W200-V204 PolarHBondContact O-N 3.27Å; W200-Y233 AromaticContact CH2-CD1 3.9Å; W200-Y233 HydrophobicContact CH2-CD1 3.9Å; W200-Y233 AromaticContact CH2-CE1 3.87Å; W200-Y233 HydrophobicContact CH2-CE1 3.87Å; W200-Y233 HydrophobicContact CZ2-CD1 4.11Å; W200-Y233 HydrophobicContact CZ2-CE1 4.46Å; W200-L253 HydrophobicContact CD2-CD2 4.17Å; W200-L253 HydrophobicContact CE3-CD2 4.35Å; W200-L253 HydrophobicContact CZ3-CB 4.46Å; W200-Q254 WeakPolarHBondContact CZ3-O 3.48Å |
| 201 | S | 98.5 | Very high | 97.8 | Very high | 3 Ų | 3 | 12.8 Ų | 12.8 | 2% | 0.021 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -61.5 | -37.6 | -178.6 | -58.1 | 0 | 0 | 0 | 0 | 112 | F182 S197 D198 V204 L205 | F182-S201 PolarHBondContact O-OG 2.8Å; S197-S201 PolarHBondContact O-N 2.92Å; D198-S201 PolarHBondContact O-N 2.76Å; S201-V204 PolarHBondContact O-N 2.99Å; S201-L205 WeakPolarHBondContact O-CB 3.42Å; S201-L205 PolarHBondContact O-N 2.69Å |
| 202 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -59.7 | -44.4 | 169.8 | -173.7 | 69.2 | 0 | 0 | 0 | 111.7 | I121 I124 I125 D198 W200 V204 L205 V206 F248 V266 | I121-L202 HydrophobicContact CD1-CD1 3.82Å; I121-L202 HydrophobicContact CG2-CD1 4.29Å; I124-L202 HydrophobicContact CG2-CD1 3.79Å; I125-L202 HydrophobicContact CD1-CD2 4.1Å; I125-L202 HydrophobicContact CG1-CD2 3.79Å; D198-L202 VanDerWaalsContact O-CB 3.3Å; D198-L202 WeakPolarHBondContact O-CB 3.31Å; D198-L202 PolarHBondContact O-N 3.45Å; W200-L202 VanDerWaalsContact C-N 3.28Å; W200-L202 PolarHBondContact O-N 2.85Å; L202-V204 PolarHBondContact O-N 2.68Å; L202-L205 WeakPolarHBondContact O-CB 3.35Å; L202-L205 PolarHBondContact O-N 2.92Å; L202-V206 WeakPolarHBondContact O-CG2 3.47Å; L202-V206 PolarHBondContact O-N 3.23Å; L202-F248 HydrophobicContact CD2-CZ 4.47Å; L202-V266 HydrophobicContact CD2-CG1 4.38Å |
| 203 | G | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -60.5 | -41.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | I199 W200 A207 | I199-G203 PolarHBondContact O-N 2.84Å; W200-G203 WeakPolarHBondContact O-CA 3.37Å; W200-G203 PolarHBondContact O-N 2.9Å; G203-A207 WeakPolarHBondContact O-CB 3.5Å; G203-A207 PolarHBondContact O-N 3.03Å; G203-A207 VanDerWaalsContact O-N 3.11Å |
| 204 | V | 98.5 | Very high | 97.5 | Very high | 1 Ų | 1 | 6.4 Ų | 6.4 | 1% | 0.006 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -65.2 | -45 | 175 | -179.6 | 0 | 0 | 0 | 0 | 110.5 | F182 W200 S201 L202 A207 E208 I214 L253 | F182-V204 HydrophobicContact CD1-CB 3.96Å; F182-V204 HydrophobicContact CD1-CG1 3.48Å; F182-V204 VanDerWaalsContact CD1-CG1 3.48Å; F182-V204 HydrophobicContact CE1-CG1 3.85Å; F182-V204 HydrophobicContact CG-CG1 4.2Å; W200-V204 WeakPolarHBondContact O-CG2 3.43Å; W200-V204 PolarHBondContact O-N 3.27Å; S201-V204 PolarHBondContact O-N 2.99Å; L202-V204 PolarHBondContact O-N 2.68Å; V204-A207 PolarHBondContact O-N 2.76Å; V204-E208 WeakPolarHBondContact O-CB 3.31Å; V204-E208 PolarHBondContact O-N 3.16Å; V204-I214 HydrophobicContact CB-CD1 4.25Å; V204-I214 HydrophobicContact CG1-CD1 3.91Å; V204-I214 HydrophobicContact CG1-CG1 4.03Å; V204-I214 HydrophobicContact CG2-CD1 4.11Å; V204-L253 HydrophobicContact CG2-CD2 3.96Å |
| 205 | L | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -57.5 | -49.7 | 177.6 | 175.2 | 59.6 | 0 | 0 | 0 | 111.4 | L102 I121 I124 V141 P143 I146 S201 L202 A207 E208 M209 | L102-L205 HydrophobicContact CD2-CD1 3.95Å; I121-L205 HydrophobicContact CD1-CD2 4.31Å; I121-L205 HydrophobicContact CD1-CG 4.39Å; I124-L205 HydrophobicContact CD1-CD2 3.82Å; V141-L205 HydrophobicContact CG1-CD2 3.86Å; P143-L205 HydrophobicContact CB-CD1 4.3Å; P143-L205 HydrophobicContact CG-CD1 3.53Å; I146-L205 HydrophobicContact CG1-CD2 4.18Å; S201-L205 WeakPolarHBondContact O-CB 3.42Å; S201-L205 PolarHBondContact O-N 2.69Å; L202-L205 WeakPolarHBondContact O-CB 3.35Å; L202-L205 PolarHBondContact O-N 2.92Å; L205-A207 VanDerWaalsContact C-N 3.32Å; L205-A207 PolarHBondContact O-N 2.8Å; L205-E208 PolarHBondContact O-N 2.9Å; L205-E208 VanDerWaalsContact O-N 3.14Å; L205-M209 HydrophobicContact CD1-CG 4.22Å; L205-M209 HydrophobicContact CD1-SD 4.1Å; L205-M209 HydrophobicContact CG-SD 3.9Å; L205-M209 VanDerWaalsContact O-CG 3.27Å; L205-M209 WeakPolarHBondContact O-CG 3.45Å; L205-M209 PolarHBondContact O-N 2.96Å |
| 206 | V | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -58 | -45.8 | 177.6 | 174.7 | 0 | 0 | 0 | 0 | 111 | T117 I121 L202 E208 M209 V210 L245 F248 F249 | T117-V206 HydrophobicContact CG2-CG1 4Å; I121-V206 HydrophobicContact CD1-CB 4.48Å; I121-V206 HydrophobicContact CD1-CG2 3.33Å; I121-V206 HydrophobicContact CG1-CG2 3.67Å; I121-V206 HydrophobicContact CG2-CG2 4.2Å; L202-V206 WeakPolarHBondContact O-CG2 3.47Å; L202-V206 PolarHBondContact O-N 3.23Å; V206-E208 VanDerWaalsContact C-N 3.29Å; V206-E208 PolarHBondContact O-N 3.38Å; V206-M209 PolarHBondContact O-N 2.98Å; V206-V210 WeakPolarHBondContact O-CG2 3.5Å; V206-V210 PolarHBondContact O-N 3.42Å; V206-V210 VanDerWaalsContact O-N 3.16Å; V206-L245 HydrophobicContact CG1-CD1 3.72Å; V206-F248 HydrophobicContact CB-CE1 3.95Å; V206-F248 HydrophobicContact CG1-CD1 4.23Å; V206-F248 HydrophobicContact CG1-CE1 4Å; V206-F248 HydrophobicContact CG2-CE1 3.62Å; V206-F248 HydrophobicContact CG2-CZ 3.84Å; V206-F249 HydrophobicContact CB-CE1 3.96Å; V206-F249 HydrophobicContact CG1-CE1 3.62Å; V206-F249 HydrophobicContact CG1-CZ 3.88Å |
| 207 | A | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -65.4 | -36.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | G203 V204 L205 T211 I214 I235 F249 | G203-A207 WeakPolarHBondContact O-CB 3.5Å; G203-A207 PolarHBondContact O-N 3.03Å; G203-A207 VanDerWaalsContact O-N 3.11Å; V204-A207 PolarHBondContact O-N 2.76Å; L205-A207 VanDerWaalsContact C-N 3.32Å; L205-A207 PolarHBondContact O-N 2.8Å; A207-T211 WeakPolarHBondContact O-CA 3.29Å; A207-T211 WeakPolarHBondContact O-CB 3.47Å; A207-T211 PolarHBondContact O-N 3Å; A207-T211 PolarHBondContact O-OG1 3Å; A207-I214 HydrophobicContact CB-CD1 4.13Å; A207-I214 HydrophobicContact CB-CG2 3.59Å; A207-I235 HydrophobicContact CB-CD1 4.04Å; A207-I235 HydrophobicContact CB-CG1 4.2Å; A207-F249 HydrophobicContact CB-CD1 4.3Å; A207-F249 HydrophobicContact CB-CE1 3.58Å; A207-F249 HydrophobicContact CB-CZ 3.81Å |
| 208 | E | 96.7 | Very high | 94.8 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -67 | -41.8 | 175.4 | -164.4 | 174.4 | 107.5 | 0 | 0 | 112.2 | P143 F182 V204 L205 V206 V210 G212 P213 F423 R425 R427 | P143-E208 WeakPolarHBondContact CG-OE1 3.35Å; F182-E208 WeakPolarHBondContact CZ-OE2 3.47Å; V204-E208 WeakPolarHBondContact O-CB 3.31Å; V204-E208 PolarHBondContact O-N 3.16Å; L205-E208 PolarHBondContact O-N 2.9Å; L205-E208 VanDerWaalsContact O-N 3.14Å; V206-E208 VanDerWaalsContact C-N 3.29Å; V206-E208 PolarHBondContact O-N 3.38Å; E208-V210 VanDerWaalsContact C-N 3.33Å; E208-V210 PolarHBondContact O-N 2.88Å; E208-G212 WeakPolarHBondContact CA-O 3.48Å; E208-G212 WeakPolarHBondContact O-CA 3.44Å; E208-G212 PolarHBondContact O-N 3.32Å; E208-P213 HydrophobicContact CG-CG 4.48Å; E208-F423 HydrophobicContact CG-CE1 4.12Å; E208-F423 WeakPolarHBondContact O-CE1 3.36Å; E208-R425 IonicContact OE2-NH2 3.29Å; E208-R425 PolarHBondContact OE2-NH2 3.43Å; E208-R427 IonicContact OE1-CZ 3.85Å; E208-R427 VanDerWaalsContact OE1-CZ 3.3Å; E208-R427 IonicContact OE1-NH1 2.74Å; E208-R427 PolarHBondContact OE1-NH1 2.92Å; E208-R427 IonicContact OE1-NH2 3.9Å; E208-R427 PolarHBondContact OE1-NH2 3.5Å; E208-R427 IonicContact OE2-CZ 3.95Å; E208-R427 IonicContact OE2-NH2 3.13Å; E208-R427 PolarHBondContact OE2-NH2 2.76Å |
| 209 | M | 97.8 | Very high | 94 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.9 | -40.2 | 177.1 | -68.3 | 163.3 | 73.8 | 0 | 0 | 112.2 | L102 L106 C111 L112 T117 Y120 I121 L205 V206 | L102-M209 HydrophobicContact CD1-CE 4.38Å; L102-M209 HydrophobicContact CD2-CE 4.13Å; L102-M209 HydrophobicContact CD2-CG 4.31Å; L102-M209 HydrophobicContact CD2-SD 3.92Å; L106-M209 HydrophobicContact CD1-CG 4.35Å; L106-M209 HydrophobicContact CD2-CB 4.39Å; L106-M209 HydrophobicContact CD2-CG 4.38Å; C111-M209 CarbonylContact C-O 3.52Å; C111-M209 VanDerWaalsContact CA-O 3.25Å; C111-M209 WeakPolarHBondContact CA-O 3.47Å; L112-M209 HydrophobicContact CD1-CB 4.46Å; L112-M209 HydrophobicContact CD1-CE 3.7Å; L112-M209 PolarHBondContact N-O 2.98Å; T117-M209 HydrophobicContact CG2-CB 4.19Å; T117-M209 HydrophobicContact CG2-CE 3.85Å; T117-M209 HydrophobicContact CG2-SD 4.11Å; Y120-M209 HydrophobicContact CD2-CE 4.15Å; Y120-M209 HydrophobicContact CG-CE 4.45Å; I121-M209 HydrophobicContact CD1-CE 4.49Å; I121-M209 HydrophobicContact CD1-SD 3.82Å; I121-M209 HydrophobicContact CG1-CE 4.31Å; I121-M209 HydrophobicContact CG1-SD 4.17Å; L205-M209 HydrophobicContact CD1-CG 4.22Å; L205-M209 HydrophobicContact CD1-SD 4.1Å; L205-M209 HydrophobicContact CG-SD 3.9Å; L205-M209 VanDerWaalsContact O-CG 3.27Å; L205-M209 WeakPolarHBondContact O-CG 3.45Å; L205-M209 PolarHBondContact O-N 2.96Å; V206-M209 PolarHBondContact O-N 2.98Å |
| 210 | V | 98 | Very high | 93.3 | Very high | 16 Ų | 16 | 30.5 Ų | 30.5 | 10% | 0.097 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -94.7 | -24.7 | -174.8 | -63.7 | 0 | 0 | 0 | 0 | 114.8 | C111 T117 V206 E208 L241 L245 F249 | C111-V210 WeakPolarHBondContact CB-O 3.2Å; T117-V210 HydrophobicContact CG2-CG1 3.96Å; T117-V210 VanDerWaalsContact OG1-CG1 3.24Å; T117-V210 WeakPolarHBondContact OG1-CG1 3.47Å; V206-V210 WeakPolarHBondContact O-CG2 3.5Å; V206-V210 PolarHBondContact O-N 3.42Å; V206-V210 VanDerWaalsContact O-N 3.16Å; E208-V210 VanDerWaalsContact C-N 3.33Å; E208-V210 PolarHBondContact O-N 2.88Å; V210-L241 HydrophobicContact CG2-CD1 4.29Å; V210-L245 HydrophobicContact CB-CD2 4.48Å; V210-L245 HydrophobicContact CG1-CD2 4.25Å; V210-L245 HydrophobicContact CG2-CD2 4.01Å; V210-F249 HydrophobicContact CG2-CZ 4.06Å |
| 211 | T | 96.5 | Very high | 92.6 | Very high | 15 Ų | 15 | 33.2 Ų | 33.2 | 9% | 0.092 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -129.8 | -3.6 | -174 | 70.3 | 0 | 0 | 0 | 0 | 114.7 | A207 I235 R236 L241 | A207-T211 WeakPolarHBondContact O-CA 3.29Å; A207-T211 WeakPolarHBondContact O-CB 3.47Å; A207-T211 PolarHBondContact O-N 3Å; A207-T211 PolarHBondContact O-OG1 3Å; T211-I235 HydrophobicContact CG2-CG2 3.86Å; T211-R236 WeakPolarHBondContact CG2-O 3.48Å; T211-L241 HydrophobicContact CG2-CD1 3.83Å; T211-L241 HydrophobicContact CG2-CD2 4.23Å; T211-L241 HydrophobicContact CG2-CG 4.48Å |
| 212 | G | 94.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | S | Bend | trans | 76.5 | -175.4 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | E208 I214 | E208-G212 WeakPolarHBondContact CA-O 3.48Å; E208-G212 WeakPolarHBondContact O-CA 3.44Å; E208-G212 PolarHBondContact O-N 3.32Å; G212-I214 PolarHBondContact O-N 3.42Å |
| 213 | P | 93.3 | Very high | 91.7 | Very high | 16 Ų | 16 | 39.7 Ų | 39.7 | 10% | 0.104 | 20% | 0.201 | C | C | . | . | trans | -47.3 | 124.6 | -176.5 | -38.4 | 42.1 | 0 | 0 | 0 | 116.1 | E208 R425 | E208-P213 HydrophobicContact CG-CG 4.48Å; P213-R425 VanDerWaalsContact CB-CZ 3.43Å | ||
| 214 | I | 94.4 | Very high | 91.3 | Very high | 7 Ų | 7 | 40.1 Ų | 40.1 | 4% | 0.036 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -97.4 | -18.2 | -179.8 | 71.4 | 171.4 | 0 | 0 | 0 | 114.2 | V204 A207 G212 Y233 S234 I235 L253 | V204-I214 HydrophobicContact CB-CD1 4.25Å; V204-I214 HydrophobicContact CG1-CD1 3.91Å; V204-I214 HydrophobicContact CG1-CG1 4.03Å; V204-I214 HydrophobicContact CG2-CD1 4.11Å; A207-I214 HydrophobicContact CB-CD1 4.13Å; A207-I214 HydrophobicContact CB-CG2 3.59Å; G212-I214 PolarHBondContact O-N 3.42Å; I214-Y233 HydrophobicContact CD1-CD2 4.24Å; I214-Y233 HydrophobicContact CD1-CG 4.16Å; I214-S234 WeakPolarHBondContact CA-O 3.15Å; I214-S234 WeakPolarHBondContact CB-O 3.46Å; I214-S234 PolarHBondContact O-N 3.01Å; I214-I235 HydrophobicContact CG2-CG1 4.04Å; I214-L253 HydrophobicContact CD1-CD1 4.48Å |
| 215 | R | 92.2 | Very high | 91 | Very high | 9 Ų | 9 | 40.9 Ų | 40.9 | 3% | 0.034 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -108 | 126.1 | 167.4 | -75.2 | -177.6 | 176.6 | 160.6 | 4.3 | 107.8 | P180 L181 M183 T232 R425 | P180-R215 PolarHBondContact O-NH1 2.86Å; L181-R215 HydrophobicContact CD2-CB 3.91Å; M183-R215 PolarHBondContact O-NH1 2.92Å; R215-T232 WeakPolarHBondContact CG-O 3.48Å; R215-T232 PolarHBondContact NE-O 2.82Å; R215-R425 PolarHBondContact O-NH1 3.48Å |
| 216 | R | 83.5 | Confident | 90.7 | Very high | 201 Ų | 201 | 46 Ų | 46 | 76% | 0.758 | 23% | 0.229 | S | C | * | . | P | Polyproline II helix | trans | -64.5 | 144.5 | 171.3 | -66.8 | -174.9 | -178.6 | 171.6 | 0 | 108.5 | R227 | R216-R227 PolarHBondContact O-NH1 3.28Š|
| 217 | E | 76.1 | Confident | 90.5 | Very high | 81 Ų | 81 | 49.6 Ų | 49.6 | 38% | 0.379 | 24% | 0.243 | S | C | . | . | P | Polyproline II helix | trans | -56.4 | 143.3 | 163.8 | -165.1 | 170.5 | -177 | 0 | 0 | 108.1 | R227 P426 | E217-R227 PolarHBondContact O-NH1 3.45Å; E217-P426 WeakPolarHBondContact OE1-CD 3.26Å; E217-P426 WeakPolarHBondContact OE1-CG 3.47Å |
| 218 | A | 81.6 | Confident | 90.3 | Very high | 14 Ų | 14 | 49.6 Ų | 49.6 | 12% | 0.116 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -103.2 | 168.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | N220 E223 E224 | A218-N220 PolarHBondContact O-N 3.07Å; A218-E223 HydrophobicContact CB-CB 3.49Å; A218-E223 VanDerWaalsContact CB-CB 3.49Å; A218-E224 HydrophobicContact CB-CG 3.65Å |
| 219 | E | 82.4 | Confident | 90.3 | Very high | 195 Ų | 195 | 54.8 Ų | 54.8 | 91% | 0.911 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -64.1 | -26.6 | 178.4 | -64.9 | 175.4 | -178.2 | 0 | 0 | 112.2 | ||
| 220 | N | 84.5 | Confident | 90.2 | Very high | 80 Ų | 80 | 59.6 Ų | 59.6 | 43% | 0.428 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -151.1 | 163.4 | 179.2 | 58.9 | 56.4 | 0 | 0 | 0 | 111.2 | A218 A222 E223 E224 | A218-N220 PolarHBondContact O-N 3.07Å; N220-A222 PolarHBondContact O-N 3.06Å; N220-A222 WeakPolarHBondContact OD1-CB 3.44Å; N220-A222 PolarHBondContact OD1-N 3.12Å; N220-E223 PolarHBondContact O-N 2.9Å; N220-E223 PolarHBondContact OD1-N 3.2Å; N220-E224 PolarHBondContact O-N 3.19Å |
| 221 | T | 83.5 | Confident | 90.1 | Very high | 57 Ų | 57 | 59 Ų | 59 | 35% | 0.35 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -57.8 | -34.2 | -179.2 | -44.6 | 0 | 0 | 0 | 0 | 112.6 | E223 E224 F225 | T221-E223 PolarHBondContact O-N 3.39Å; T221-E224 WeakPolarHBondContact O-CB 3.45Å; T221-E224 PolarHBondContact O-N 2.91Å; T221-E224 VanDerWaalsContact O-N 3.14Å; T221-F225 HydrophobicContact CG2-CD2 3.83Å; T221-F225 HydrophobicContact CG2-CE2 3.68Å; T221-F225 WeakPolarHBondContact O-CD2 3.44Å; T221-F225 PolarHBondContact O-N 3.29Å |
| 222 | A | 87.9 | Confident | 90 | Very high | 70 Ų | 70 | 61.4 Ų | 61.4 | 58% | 0.579 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -63.3 | -41.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | N220 E224 F225 K226 | N220-A222 PolarHBondContact O-N 3.06Å; N220-A222 WeakPolarHBondContact OD1-CB 3.44Å; N220-A222 PolarHBondContact OD1-N 3.12Å; A222-E224 VanDerWaalsContact C-N 3.33Å; A222-F225 PolarHBondContact O-N 3.45Å; A222-K226 WeakPolarHBondContact O-CB 3.46Å; A222-K226 PolarHBondContact O-N 3.14Å |
| 223 | E | 90.7 | Very high | 90.1 | Very high | 69 Ų | 69 | 65.8 Ų | 65.8 | 32% | 0.322 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -70.5 | -28.8 | 174.6 | -78.7 | -66.2 | 136.8 | 0 | 0 | 112.4 | A218 N220 T221 K226 R227 | A218-E223 HydrophobicContact CB-CB 3.49Å; A218-E223 VanDerWaalsContact CB-CB 3.49Å; N220-E223 PolarHBondContact O-N 2.9Å; N220-E223 PolarHBondContact OD1-N 3.2Å; T221-E223 PolarHBondContact O-N 3.39Å; E223-K226 WeakPolarHBondContact OE1-CD 3.1Å; E223-K226 IonicContact OE1-NZ 3.81Å; E223-K226 PolarHBondContact OE1-NZ 2.93Å; E223-K226 IonicContact OE2-NZ 3.01Å; E223-R227 WeakPolarHBondContact O-CG 3.16Å; E223-R227 PolarHBondContact O-N 3.38Å; E223-R227 VanDerWaalsContact O-N 3.11Å |
| 224 | E | 90.6 | Very high | 90.2 | Very high | 9 Ų | 9 | 68.9 Ų | 68.9 | 4% | 0.042 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.5 | -46.8 | 170.5 | -56.5 | -168.8 | 132.8 | 0 | 0 | 111.4 | P180 A218 N220 T221 A222 K226 R227 A228 S428 | P180-E224 HydrophobicContact CB-CB 3.74Å; P180-E224 HydrophobicContact CG-CB 4.41Å; A218-E224 HydrophobicContact CB-CG 3.65Å; N220-E224 PolarHBondContact O-N 3.19Å; T221-E224 WeakPolarHBondContact O-CB 3.45Å; T221-E224 PolarHBondContact O-N 2.91Å; T221-E224 VanDerWaalsContact O-N 3.14Å; A222-E224 VanDerWaalsContact C-N 3.33Å; E224-K226 VanDerWaalsContact C-N 3.32Å; E224-K226 PolarHBondContact O-N 3.44Å; E224-R227 PolarHBondContact O-N 2.7Å; E224-A228 PolarHBondContact O-N 3.38Å; E224-S428 PolarHBondContact OE2-OG 3.42Å |
| 225 | F | 91.4 | Very high | 90.4 | Very high | 18 Ų | 18 | 69.3 Ų | 69.3 | 8% | 0.079 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.5 | -39.4 | 174.7 | -88.6 | -77 | 0 | 0 | 0 | 112.4 | P180 M183 T221 A222 R227 A228 R229 T431 I433 | P180-F225 HydrophobicContact CG-CD1 4.34Å; P180-F225 HydrophobicContact CG-CD2 3.86Å; P180-F225 HydrophobicContact CG-CE1 4.11Å; P180-F225 HydrophobicContact CG-CE2 3.58Å; P180-F225 HydrophobicContact CG-CG 4.23Å; P180-F225 HydrophobicContact CG-CZ 3.71Å; M183-F225 HydrophobicContact CE-CE1 3.77Å; M183-F225 HydrophobicContact CE-CZ 4.25Å; M183-F225 HydrophobicContact SD-CD1 4.24Å; M183-F225 HydrophobicContact SD-CE1 3.78Å; T221-F225 HydrophobicContact CG2-CD2 3.83Å; T221-F225 HydrophobicContact CG2-CE2 3.68Å; T221-F225 WeakPolarHBondContact O-CD2 3.44Å; T221-F225 PolarHBondContact O-N 3.29Å; A222-F225 PolarHBondContact O-N 3.45Å; F225-R227 VanDerWaalsContact C-N 3.34Å; F225-R227 PolarHBondContact O-N 2.93Å; F225-A228 WeakPolarHBondContact O-CB 3.49Å; F225-A228 PolarHBondContact O-N 3.21Å; F225-A228 VanDerWaalsContact O-N 3.16Å; F225-R229 WeakPolarHBondContact O-CB 3.38Å; F225-R229 VanDerWaalsContact O-CG 3.3Å; F225-R229 WeakPolarHBondContact O-CG 3.37Å; F225-R229 PolarHBondContact O-N 3.11Å; F225-T431 WeakPolarHBondContact CE2-OG1 3.11Å; F225-T431 VanDerWaalsContact CZ-OG1 3.3Å; F225-T431 WeakPolarHBondContact CZ-OG1 3.39Å; F225-I433 HydrophobicContact CE1-CG1 4.08Å |
| 226 | K | 93.2 | Very high | 90.4 | Very high | 108 Ų | 108 | 75.3 Ų | 75.3 | 47% | 0.47 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.1 | -45 | 174.8 | -175.9 | -178.7 | 174.9 | -173.9 | 0 | 111.5 | A222 E223 E224 A228 R229 M230 | A222-K226 WeakPolarHBondContact O-CB 3.46Å; A222-K226 PolarHBondContact O-N 3.14Å; E223-K226 WeakPolarHBondContact OE1-CD 3.1Å; E223-K226 IonicContact OE1-NZ 3.81Å; E223-K226 PolarHBondContact OE1-NZ 2.93Å; E223-K226 IonicContact OE2-NZ 3.01Å; E224-K226 VanDerWaalsContact C-N 3.32Å; E224-K226 PolarHBondContact O-N 3.44Å; K226-A228 VanDerWaalsContact C-N 3.33Å; K226-A228 PolarHBondContact O-N 3.33Å; K226-R229 PolarHBondContact O-N 2.89Å; K226-M230 WeakPolarHBondContact O-CB 3.33Å; K226-M230 WeakPolarHBondContact O-CG 3.48Å; K226-M230 PolarHBondContact O-N 3.1Å |
| 227 | R | 93.5 | Very high | 90.9 | Very high | 75 Ų | 75 | 67 Ų | 67 | 28% | 0.283 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.9 | -39 | 174.5 | -68.7 | 171 | -173 | 168.1 | 6.8 | 111.9 | R216 E217 E223 E224 F225 M230 G231 T232 | R216-R227 PolarHBondContact O-NH1 3.28Å; E217-R227 PolarHBondContact O-NH1 3.45Å; E223-R227 WeakPolarHBondContact O-CG 3.16Å; E223-R227 PolarHBondContact O-N 3.38Å; E223-R227 VanDerWaalsContact O-N 3.11Å; E224-R227 PolarHBondContact O-N 2.7Å; F225-R227 VanDerWaalsContact C-N 3.34Å; F225-R227 PolarHBondContact O-N 2.93Å; R227-M230 CarbonylContact O-C 3.6Å; R227-M230 PolarHBondContact O-N 3.08Å; R227-G231 PolarHBondContact O-N 3.25Å; R227-T232 PolarHBondContact O-N 2.98Å; R227-T232 VanDerWaalsContact O-N 3.17Å; R227-T232 PolarHBondContact O-OG1 3.1Å |
| 228 | A | 94.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.9 | -51.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | M183 P185 A188 E224 F225 K226 M230 G231 | M183-A228 HydrophobicContact CB-CB 4.41Å; P185-A228 VanDerWaalsContact CA-O 3.32Å; P185-A228 WeakPolarHBondContact CA-O 3.46Å; A188-A228 HydrophobicContact CB-CB 3.62Å; E224-A228 PolarHBondContact O-N 3.38Å; F225-A228 WeakPolarHBondContact O-CB 3.49Å; F225-A228 PolarHBondContact O-N 3.21Å; F225-A228 VanDerWaalsContact O-N 3.16Å; K226-A228 VanDerWaalsContact C-N 3.33Å; K226-A228 PolarHBondContact O-N 3.33Å; A228-M230 VanDerWaalsContact C-N 3.27Å; A228-M230 PolarHBondContact O-N 2.63Å; A228-G231 WeakPolarHBondContact O-CA 3.31Å; A228-G231 PolarHBondContact O-N 3.23Å |
| 229 | R | 96.1 | Very high | 92.6 | Very high | 110 Ų | 110 | 74.9 Ų | 74.9 | 42% | 0.415 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -56.1 | -41.1 | 175.1 | -72.3 | 174.9 | -173 | 158.3 | 5.2 | 112.6 | A188 R189 F225 K226 G231 | A188-R229 HydrophobicContact CB-CG 3.89Å; A188-R229 WeakPolarHBondContact O-CG 3.49Å; A188-R229 PolarHBondContact O-NE 2.84Å; R189-R229 HydrophobicContact CG-CB 3.8Å; R189-R229 HydrophobicContact CG-CG 3.78Å; R189-R229 PolarHBondContact NH1-O 3.47Å; F225-R229 WeakPolarHBondContact O-CB 3.38Å; F225-R229 VanDerWaalsContact O-CG 3.3Å; F225-R229 WeakPolarHBondContact O-CG 3.37Å; F225-R229 PolarHBondContact O-N 3.11Å; K226-R229 PolarHBondContact O-N 2.89Å; R229-G231 PolarHBondContact O-N 3.24Å |
| 230 | M | 96 | Very high | 93.3 | Very high | 101 Ų | 101 | 75.9 Ų | 75.9 | 50% | 0.498 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -5.9 | 176.9 | -67.1 | -58.7 | -67.9 | 0 | 0 | 113.1 | K226 R227 A228 T232 R255 | K226-M230 WeakPolarHBondContact O-CB 3.33Å; K226-M230 WeakPolarHBondContact O-CG 3.48Å; K226-M230 PolarHBondContact O-N 3.1Å; R227-M230 CarbonylContact O-C 3.6Å; R227-M230 PolarHBondContact O-N 3.08Å; A228-M230 VanDerWaalsContact C-N 3.27Å; A228-M230 PolarHBondContact O-N 2.63Å; M230-T232 HydrophobicContact CB-CG2 3.92Å; M230-T232 PolarHBondContact O-N 2.9Å; M230-T232 VanDerWaalsContact O-N 3.09Å; M230-R255 PolarHBondContact O-NH1 2.72Å; M230-R255 PolarHBondContact O-NH2 2.73Å |
| 231 | G | 95.9 | Very high | 93.9 | Very high | 4 Ų | 4 | 73.4 Ų | 73.4 | 4% | 0.041 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 26.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | R227 A228 R229 Y233 | R227-G231 PolarHBondContact O-N 3.25Å; A228-G231 WeakPolarHBondContact O-CA 3.31Å; A228-G231 PolarHBondContact O-N 3.23Å; R229-G231 PolarHBondContact O-N 3.24Å; G231-Y233 WeakPolarHBondContact O-CD1 3.24Å |
| 232 | T | 94.9 | Very high | 94.7 | Very high | 65 Ų | 65 | 72.5 Ų | 72.5 | 40% | 0.399 | 35% | 0.349 | S | S | . | . | trans | -81.5 | 140 | -177.6 | 54.2 | 0 | 0 | 0 | 0 | 110.6 | R215 R227 M230 | R215-T232 WeakPolarHBondContact CG-O 3.48Å; R215-T232 PolarHBondContact NE-O 2.82Å; R227-T232 PolarHBondContact O-N 2.98Å; R227-T232 VanDerWaalsContact O-N 3.17Å; R227-T232 PolarHBondContact O-OG1 3.1Å; M230-T232 HydrophobicContact CB-CG2 3.92Å; M230-T232 PolarHBondContact O-N 2.9Å; M230-T232 VanDerWaalsContact O-N 3.09Å | ||
| 233 | Y | 95.5 | Very high | 95.2 | Very high | 92 Ų | 92 | 75.8 Ų | 75.8 | 36% | 0.361 | 35% | 0.351 | S | S | . | . | trans | -158.1 | 164.8 | 176.2 | 62.9 | -95.9 | 0 | 0 | 0 | 110.2 | W200 I214 G231 I235 L253 | W200-Y233 AromaticContact CH2-CD1 3.9Å; W200-Y233 HydrophobicContact CH2-CD1 3.9Å; W200-Y233 AromaticContact CH2-CE1 3.87Å; W200-Y233 HydrophobicContact CH2-CE1 3.87Å; W200-Y233 HydrophobicContact CZ2-CD1 4.11Å; W200-Y233 HydrophobicContact CZ2-CE1 4.46Å; I214-Y233 HydrophobicContact CD1-CD2 4.24Å; I214-Y233 HydrophobicContact CD1-CG 4.16Å; G231-Y233 WeakPolarHBondContact O-CD1 3.24Å; Y233-I235 HydrophobicContact CD2-CG1 4.05Å; Y233-I235 HydrophobicContact CE2-CD1 4.24Å; Y233-I235 HydrophobicContact CE2-CG1 4.19Å; Y233-L253 HydrophobicContact CD2-CD1 4.25Å; Y233-L253 HydrophobicContact CE1-CB 3.84Å; Y233-L253 HydrophobicContact CE1-CD1 4.26Å; Y233-L253 HydrophobicContact CE2-CD1 3.78Å; Y233-L253 WeakPolarHBondContact OH-CB 3.43Å; Y233-L253 PolarHBondContact OH-O 3.32Å | ||
| 234 | S | 96.6 | Very high | 95.5 | Very high | 81 Ų | 81 | 74 Ų | 74 | 57% | 0.566 | 35% | 0.345 | S | S | * | . | trans | -143.5 | 113.5 | 173.8 | -173.4 | 0 | 0 | 0 | 0 | 110.7 | I214 | I214-S234 WeakPolarHBondContact CA-O 3.15Å; I214-S234 WeakPolarHBondContact CB-O 3.46Å; I214-S234 PolarHBondContact O-N 3.01Å | ||
| 235 | I | 97.1 | Very high | 95.9 | Very high | 16 Ų | 16 | 73.6 Ų | 73.6 | 8% | 0.082 | 34% | 0.343 | C | S | . | . | trans | -86.7 | 112 | 176.3 | -55.2 | -179.3 | 0 | 0 | 0 | 108.8 | A207 T211 I214 Y233 G237 L238 L241 F249 L253 | A207-I235 HydrophobicContact CB-CD1 4.04Å; A207-I235 HydrophobicContact CB-CG1 4.2Å; T211-I235 HydrophobicContact CG2-CG2 3.86Å; I214-I235 HydrophobicContact CG2-CG1 4.04Å; Y233-I235 HydrophobicContact CD2-CG1 4.05Å; Y233-I235 HydrophobicContact CE2-CD1 4.24Å; Y233-I235 HydrophobicContact CE2-CG1 4.19Å; I235-G237 PolarHBondContact O-N 2.83Å; I235-L238 HydrophobicContact CB-CB 4.2Å; I235-L238 HydrophobicContact CB-CD1 4.44Å; I235-L238 HydrophobicContact CD1-CD1 4.31Å; I235-L238 HydrophobicContact CG2-CB 4.13Å; I235-L238 HydrophobicContact CG2-CD1 4.15Å; I235-L238 PolarHBondContact O-N 2.79Å; I235-L241 HydrophobicContact CG2-CD1 4.33Å; I235-F249 HydrophobicContact CD1-CB 4.05Å; I235-F249 HydrophobicContact CD1-CD1 4Å; I235-F249 HydrophobicContact CD1-CD2 3.66Å; I235-F249 HydrophobicContact CD1-CE1 4.37Å; I235-F249 HydrophobicContact CD1-CE2 4.03Å; I235-F249 HydrophobicContact CD1-CG 3.64Å; I235-F249 HydrophobicContact CD1-CZ 4.39Å; I235-F249 HydrophobicContact CG2-CE2 4.48Å; I235-L253 HydrophobicContact CD1-CD1 3.94Å | ||
| 236 | R | 92.8 | Very high | 96.3 | Very high | 135 Ų | 135 | 74.4 Ų | 74.4 | 51% | 0.509 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | 129.1 | -178.6 | -64.2 | -178.3 | -173.8 | -171.2 | 2.7 | 110.3 | T211 L238 | T211-R236 WeakPolarHBondContact CG2-O 3.48Å; R236-L238 VanDerWaalsContact C-N 3.25Å; R236-L238 PolarHBondContact O-N 3.16Å |
| 237 | G | 93.9 | Very high | 96.5 | Very high | 26 Ų | 26 | 71.8 Ų | 71.8 | 27% | 0.268 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | 22 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | I235 K239 R240 | I235-G237 PolarHBondContact O-N 2.83Å; G237-K239 PolarHBondContact O-N 3.34Å; G237-R240 WeakPolarHBondContact O-CB 3.31Å; G237-R240 PolarHBondContact O-N 3.42Å |
| 238 | L | 97 | Very high | 96.8 | Very high | 65 Ų | 65 | 68.2 Ų | 68.2 | 34% | 0.34 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -46 | -40.1 | 179.6 | 179.1 | 61 | 0 | 0 | 0 | 113.7 | I235 R236 R240 L241 Q246 F249 | I235-L238 HydrophobicContact CB-CB 4.2Å; I235-L238 HydrophobicContact CB-CD1 4.44Å; I235-L238 HydrophobicContact CD1-CD1 4.31Å; I235-L238 HydrophobicContact CG2-CB 4.13Å; I235-L238 HydrophobicContact CG2-CD1 4.15Å; I235-L238 PolarHBondContact O-N 2.79Å; R236-L238 VanDerWaalsContact C-N 3.25Å; R236-L238 PolarHBondContact O-N 3.16Å; L238-R240 PolarHBondContact O-N 2.79Å; L238-L241 HydrophobicContact CD1-CD1 4.22Å; L238-L241 WeakPolarHBondContact O-CB 3.49Å; L238-L241 PolarHBondContact O-N 3.18Å; L238-Q246 HydrophobicContact CD1-CG 3.95Å; L238-Q246 HydrophobicContact CG-CG 4.38Å; L238-Q246 WeakPolarHBondContact O-CG 3.36Å; L238-Q246 PolarHBondContact O-NE2 3.26Å; L238-F249 HydrophobicContact CD1-CD2 3.7Å; L238-F249 HydrophobicContact CD1-CE2 4.21Å |
| 239 | K | 96.7 | Very high | 96.9 | Very high | 196 Ų | 196 | 68.5 Ų | 68.5 | 85% | 0.852 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -64.2 | -22.1 | 179.4 | -65.9 | -175.1 | 179 | -178.4 | 0 | 114 | G237 | G237-K239 PolarHBondContact O-N 3.34Š|
| 240 | R | 97 | Very high | 97.1 | Very high | 216 Ų | 216 | 66.8 Ų | 66.8 | 82% | 0.815 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -87.2 | -14.6 | 178.6 | -61.2 | -172.4 | -65.2 | -118.8 | 2.9 | 113.2 | G237 L238 | G237-R240 WeakPolarHBondContact O-CB 3.31Å; G237-R240 PolarHBondContact O-N 3.42Å; L238-R240 PolarHBondContact O-N 2.79Å |
| 241 | L | 98 | Very high | 97.2 | Very high | 29 Ų | 29 | 62.9 Ų | 62.9 | 15% | 0.152 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -74.8 | 162.7 | 176.6 | -58.6 | 179 | 0 | 0 | 0 | 110.6 | V210 T211 I235 L238 L245 Q246 F249 | V210-L241 HydrophobicContact CG2-CD1 4.29Å; T211-L241 HydrophobicContact CG2-CD1 3.83Å; T211-L241 HydrophobicContact CG2-CD2 4.23Å; T211-L241 HydrophobicContact CG2-CG 4.48Å; I235-L241 HydrophobicContact CG2-CD1 4.33Å; L238-L241 HydrophobicContact CD1-CD1 4.22Å; L238-L241 WeakPolarHBondContact O-CB 3.49Å; L238-L241 PolarHBondContact O-N 3.18Å; L241-L245 HydrophobicContact CB-CD2 4.23Å; L241-L245 HydrophobicContact CD1-CD2 3.99Å; L241-L245 HydrophobicContact CD1-CG 4.41Å; L241-L245 HydrophobicContact CD2-CD2 4.32Å; L241-L245 HydrophobicContact CG-CD2 4.42Å; L241-Q246 HydrophobicContact CB-CG 4.47Å; L241-Q246 PolarHBondContact O-NE2 3Å; L241-F249 HydrophobicContact CD1-CE2 3.69Å |
| 242 | S | 98.4 | Very high | 97.3 | Very high | 38 Ų | 38 | 62.7 Ų | 62.7 | 27% | 0.266 | 32% | 0.317 | S | S | . | . | trans | -62.9 | 152 | 177.7 | 79.4 | 0 | 0 | 0 | 0 | 112.2 | E114 L245 Q246 | E114-S242 WeakPolarHBondContact OE1-CB 3.43Å; E114-S242 PolarHBondContact OE1-N 2.66Å; E114-S242 WeakPolarHBondContact OE2-CB 3.34Å; E114-S242 PolarHBondContact OE2-OG 3.07Å; S242-L245 PolarHBondContact O-N 3.4Å; S242-L245 WeakPolarHBondContact OG-CB 3.1Å; S242-L245 PolarHBondContact OG-N 2.91Å; S242-Q246 WeakPolarHBondContact O-CG 3.31Å; S242-Q246 PolarHBondContact O-N 3.02Å | ||
| 243 | K | 98.5 | Very high | 97.5 | Very high | 138 Ų | 138 | 59.9 Ų | 59.9 | 60% | 0.6 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -59.7 | -39.9 | 174.6 | -65.4 | -63.8 | 178.4 | -175 | 0 | 113.3 | L245 Q246 S247 | K243-L245 VanDerWaalsContact C-N 3.34Å; K243-L245 PolarHBondContact O-N 3.24Å; K243-Q246 PolarHBondContact O-N 3.44Å; K243-S247 WeakPolarHBondContact O-CB 3.36Å; K243-S247 PolarHBondContact O-N 3.19Å |
| 244 | P | 98.6 | Very high | 97.6 | Very high | 33 Ų | 33 | 58.6 Ų | 58.6 | 21% | 0.214 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -54.5 | -45.9 | 170 | -29.4 | 37.3 | 0 | 0 | 0 | 113.6 | S247 F248 R270 F271 | P244-S247 PolarHBondContact O-N 3.01Å; P244-F248 PolarHBondContact O-N 3.35Å; P244-R270 HydrophobicContact CB-CB 3.96Å; P244-R270 HydrophobicContact CG-CB 4.41Å; P244-F271 HydrophobicContact CB-CB 4.25Å |
| 245 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -71.2 | -38.9 | -179.9 | -177.3 | 55.3 | 0 | 0 | 0 | 112.5 | E114 V206 V210 L241 S242 K243 S247 F248 F249 F271 | E114-L245 HydrophobicContact CG-CD2 3.7Å; V206-L245 HydrophobicContact CG1-CD1 3.72Å; V210-L245 HydrophobicContact CB-CD2 4.48Å; V210-L245 HydrophobicContact CG1-CD2 4.25Å; V210-L245 HydrophobicContact CG2-CD2 4.01Å; L241-L245 HydrophobicContact CB-CD2 4.23Å; L241-L245 HydrophobicContact CD1-CD2 3.99Å; L241-L245 HydrophobicContact CD1-CG 4.41Å; L241-L245 HydrophobicContact CD2-CD2 4.32Å; L241-L245 HydrophobicContact CG-CD2 4.42Å; S242-L245 PolarHBondContact O-N 3.4Å; S242-L245 WeakPolarHBondContact OG-CB 3.1Å; S242-L245 PolarHBondContact OG-N 2.91Å; K243-L245 VanDerWaalsContact C-N 3.34Å; K243-L245 PolarHBondContact O-N 3.24Å; L245-S247 VanDerWaalsContact C-N 3.3Å; L245-S247 PolarHBondContact O-N 3.28Å; L245-F248 HydrophobicContact CD1-CB 4.41Å; L245-F248 HydrophobicContact CD1-CD1 4.41Å; L245-F248 WeakPolarHBondContact O-CB 3.3Å; L245-F248 PolarHBondContact O-N 3.38Å; L245-F248 VanDerWaalsContact O-N 3.16Å; L245-F249 HydrophobicContact CD1-CD2 4.45Å; L245-F249 HydrophobicContact CD1-CE1 4.15Å; L245-F249 HydrophobicContact CD1-CE2 3.79Å; L245-F249 HydrophobicContact CD1-CZ 3.6Å; L245-F249 HydrophobicContact CD2-CE2 4.17Å; L245-F249 HydrophobicContact CD2-CZ 4.29Å; L245-F249 HydrophobicContact CG-CD2 4.3Å; L245-F249 HydrophobicContact CG-CE2 3.58Å; L245-F249 HydrophobicContact CG-CZ 3.87Å; L245-F249 VanDerWaalsContact O-CD2 3.27Å; L245-F249 WeakPolarHBondContact O-CD2 3.37Å; L245-F249 PolarHBondContact O-N 3.24Å; L245-F249 VanDerWaalsContact O-N 3.09Å; L245-F271 HydrophobicContact CB-CD2 3.79Å; L245-F271 HydrophobicContact CB-CE2 3.98Å; L245-F271 HydrophobicContact CD1-CD1 4.21Å; L245-F271 HydrophobicContact CD1-CD2 4.01Å; L245-F271 HydrophobicContact CD1-CE1 4.09Å; L245-F271 HydrophobicContact CD1-CE2 3.88Å; L245-F271 HydrophobicContact CD1-CG 4.18Å; L245-F271 HydrophobicContact CD1-CZ 3.94Å; L245-F271 HydrophobicContact CD2-CE2 4.32Å; L245-F271 HydrophobicContact CG-CD2 4.42Å; L245-F271 HydrophobicContact CG-CE2 4.28Å |
| 246 | Q | 98.7 | Very high | 97.7 | Very high | 35 Ų | 35 | 63.3 Ų | 63.3 | 16% | 0.164 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.3 | -46 | 171.1 | -70.7 | 175 | 45.8 | 0 | 0 | 111 | L238 L241 S242 K243 F248 F249 S250 | L238-Q246 HydrophobicContact CD1-CG 3.95Å; L238-Q246 HydrophobicContact CG-CG 4.38Å; L238-Q246 WeakPolarHBondContact O-CG 3.36Å; L238-Q246 PolarHBondContact O-NE2 3.26Å; L241-Q246 HydrophobicContact CB-CG 4.47Å; L241-Q246 PolarHBondContact O-NE2 3Å; S242-Q246 WeakPolarHBondContact O-CG 3.31Å; S242-Q246 PolarHBondContact O-N 3.02Å; K243-Q246 PolarHBondContact O-N 3.44Å; Q246-F248 VanDerWaalsContact C-N 3.32Å; Q246-F248 PolarHBondContact O-N 3.48Å; Q246-F249 PolarHBondContact O-N 3.39Å; Q246-S250 PolarHBondContact O-N 2.92Å; Q246-S250 PolarHBondContact O-OG 3.35Å |
| 247 | S | 98.3 | Very high | 97.9 | Very high | 52 Ų | 52 | 58.3 Ų | 58.3 | 36% | 0.364 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.1 | -33.8 | 177.1 | -173.6 | 0 | 0 | 0 | 0 | 112.9 | K243 P244 L245 S250 A251 | K243-S247 WeakPolarHBondContact O-CB 3.36Å; K243-S247 PolarHBondContact O-N 3.19Å; P244-S247 PolarHBondContact O-N 3.01Å; L245-S247 VanDerWaalsContact C-N 3.3Å; L245-S247 PolarHBondContact O-N 3.28Å; S247-S250 PolarHBondContact O-N 3.38Å; S247-A251 PolarHBondContact O-N 2.87Å; S247-A251 VanDerWaalsContact O-N 3.08Å |
| 248 | F | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 60.8 Ų | 60.8 | 0% | 0.004 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.6 | -47.6 | 174.2 | 177.1 | -82.5 | 0 | 0 | 0 | 110.9 | L202 V206 P244 L245 Q246 S250 A251 C252 V266 L269 F271 L272 | L202-F248 HydrophobicContact CD2-CZ 4.47Å; V206-F248 HydrophobicContact CB-CE1 3.95Å; V206-F248 HydrophobicContact CG1-CD1 4.23Å; V206-F248 HydrophobicContact CG1-CE1 4Å; V206-F248 HydrophobicContact CG2-CE1 3.62Å; V206-F248 HydrophobicContact CG2-CZ 3.84Å; P244-F248 PolarHBondContact O-N 3.35Å; L245-F248 HydrophobicContact CD1-CB 4.41Å; L245-F248 HydrophobicContact CD1-CD1 4.41Å; L245-F248 WeakPolarHBondContact O-CB 3.3Å; L245-F248 PolarHBondContact O-N 3.38Å; L245-F248 VanDerWaalsContact O-N 3.16Å; Q246-F248 VanDerWaalsContact C-N 3.32Å; Q246-F248 PolarHBondContact O-N 3.48Å; F248-S250 VanDerWaalsContact C-N 3.35Å; F248-S250 PolarHBondContact O-N 3.11Å; F248-A251 PolarHBondContact O-N 2.84Å; F248-A251 VanDerWaalsContact O-N 3.1Å; F248-C252 HydrophobicContact CE1-CB 4.36Å; F248-C252 PolarHBondContact O-N 2.87Å; F248-V266 HydrophobicContact CE2-CG1 3.83Å; F248-V266 HydrophobicContact CZ-CG1 4.48Å; F248-L269 HydrophobicContact CD2-CB 4.44Å; F248-L269 HydrophobicContact CD2-CD1 3.6Å; F248-L269 HydrophobicContact CE2-CD1 4.12Å; F248-L269 HydrophobicContact CG-CD1 4.32Å; F248-F271 HydrophobicContact CB-CB 3.93Å; F248-F271 HydrophobicContact CB-CG 4.43Å; F248-F271 HydrophobicContact CD2-CB 4.23Å; F248-F271 HydrophobicContact CD2-CD1 4.11Å; F248-F271 HydrophobicContact CG-CB 4.38Å; F248-F271 HydrophobicContact CG-CD1 4.31Å; F248-L272 HydrophobicContact CE2-CD1 4.31Å |
| 249 | F | 98.7 | Very high | 98.2 | Very high | 5 Ų | 5 | 63.6 Ų | 63.6 | 2% | 0.022 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 175.7 | -62.7 | -46.7 | 0 | 0 | 0 | 112.7 | V206 A207 V210 I235 L238 L241 L245 Q246 A251 C252 L253 | V206-F249 HydrophobicContact CB-CE1 3.96Å; V206-F249 HydrophobicContact CG1-CE1 3.62Å; V206-F249 HydrophobicContact CG1-CZ 3.88Å; A207-F249 HydrophobicContact CB-CD1 4.3Å; A207-F249 HydrophobicContact CB-CE1 3.58Å; A207-F249 HydrophobicContact CB-CZ 3.81Å; V210-F249 HydrophobicContact CG2-CZ 4.06Å; I235-F249 HydrophobicContact CD1-CB 4.05Å; I235-F249 HydrophobicContact CD1-CD1 4Å; I235-F249 HydrophobicContact CD1-CD2 3.66Å; I235-F249 HydrophobicContact CD1-CE1 4.37Å; I235-F249 HydrophobicContact CD1-CE2 4.03Å; I235-F249 HydrophobicContact CD1-CG 3.64Å; I235-F249 HydrophobicContact CD1-CZ 4.39Å; I235-F249 HydrophobicContact CG2-CE2 4.48Å; L238-F249 HydrophobicContact CD1-CD2 3.7Å; L238-F249 HydrophobicContact CD1-CE2 4.21Å; L241-F249 HydrophobicContact CD1-CE2 3.69Å; L245-F249 HydrophobicContact CD1-CD2 4.45Å; L245-F249 HydrophobicContact CD1-CE1 4.15Å; L245-F249 HydrophobicContact CD1-CE2 3.79Å; L245-F249 HydrophobicContact CD1-CZ 3.6Å; L245-F249 HydrophobicContact CD2-CE2 4.17Å; L245-F249 HydrophobicContact CD2-CZ 4.29Å; L245-F249 HydrophobicContact CG-CD2 4.3Å; L245-F249 HydrophobicContact CG-CE2 3.58Å; L245-F249 HydrophobicContact CG-CZ 3.87Å; L245-F249 VanDerWaalsContact O-CD2 3.27Å; L245-F249 WeakPolarHBondContact O-CD2 3.37Å; L245-F249 PolarHBondContact O-N 3.24Å; L245-F249 VanDerWaalsContact O-N 3.09Å; Q246-F249 PolarHBondContact O-N 3.39Å; F249-A251 PolarHBondContact O-N 3.28Å; F249-C252 PolarHBondContact O-N 3.07Å; F249-L253 HydrophobicContact CB-CD1 4.26Å; F249-L253 HydrophobicContact CD1-CD1 4.17Å; F249-L253 WeakPolarHBondContact O-CB 3.28Å; F249-L253 PolarHBondContact O-N 3.16Å |
| 250 | S | 98.4 | Very high | 98.2 | Very high | 74 Ų | 74 | 54.5 Ų | 54.5 | 52% | 0.517 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.4 | -29.8 | 174.4 | -63 | 0 | 0 | 0 | 0 | 112.9 | Q246 S247 F248 Q254 | Q246-S250 PolarHBondContact O-N 2.92Å; Q246-S250 PolarHBondContact O-OG 3.35Å; S247-S250 PolarHBondContact O-N 3.38Å; F248-S250 VanDerWaalsContact C-N 3.35Å; F248-S250 PolarHBondContact O-N 3.11Å; S250-Q254 PolarHBondContact O-NE2 3.3Å |
| 251 | A | 98.6 | Very high | 98.3 | Very high | 20 Ų | 20 | 45.8 Ų | 45.8 | 17% | 0.165 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -81.3 | -46.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S247 F248 F249 P261 L269 | S247-A251 PolarHBondContact O-N 2.87Å; S247-A251 VanDerWaalsContact O-N 3.08Å; F248-A251 PolarHBondContact O-N 2.84Å; F248-A251 VanDerWaalsContact O-N 3.1Å; F249-A251 PolarHBondContact O-N 3.28Å; A251-P261 HydrophobicContact CB-CG 4.41Å; A251-P261 WeakPolarHBondContact O-CD 3.2Å; A251-L269 HydrophobicContact CB-CD1 3.93Å; A251-L269 HydrophobicContact CB-CD2 3.87Å |
| 252 | C | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -80.9 | -35.4 | -172 | -63.6 | 0 | 0 | 0 | 0 | 113.9 | I199 F248 F249 Q254 R260 | I199-C252 HydrophobicContact CG2-CB 4.01Å; F248-C252 HydrophobicContact CE1-CB 4.36Å; F248-C252 PolarHBondContact O-N 2.87Å; F249-C252 PolarHBondContact O-N 3.07Å; C252-Q254 VanDerWaalsContact C-N 3.28Å; C252-Q254 PolarHBondContact O-N 2.8Å; C252-R260 WeakPolarHBondContact O-CD 3.24Å |
| 253 | L | 98.5 | Very high | 98.3 | Very high | 6 Ų | 6 | 48.9 Ų | 48.9 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 39.5 | -174.1 | -59.7 | 178.2 | 0 | 0 | 0 | 112.9 | W200 V204 I214 Y233 I235 F249 | W200-L253 HydrophobicContact CD2-CD2 4.17Å; W200-L253 HydrophobicContact CE3-CD2 4.35Å; W200-L253 HydrophobicContact CZ3-CB 4.46Å; V204-L253 HydrophobicContact CG2-CD2 3.96Å; I214-L253 HydrophobicContact CD1-CD1 4.48Å; Y233-L253 HydrophobicContact CD2-CD1 4.25Å; Y233-L253 HydrophobicContact CE1-CB 3.84Å; Y233-L253 HydrophobicContact CE1-CD1 4.26Å; Y233-L253 HydrophobicContact CE2-CD1 3.78Å; Y233-L253 WeakPolarHBondContact OH-CB 3.43Å; Y233-L253 PolarHBondContact OH-O 3.32Å; I235-L253 HydrophobicContact CD1-CD1 3.94Å; F249-L253 HydrophobicContact CB-CD1 4.26Å; F249-L253 HydrophobicContact CD1-CD1 4.17Å; F249-L253 WeakPolarHBondContact O-CB 3.28Å; F249-L253 PolarHBondContact O-N 3.16Å |
| 254 | Q | 98.3 | Very high | 98.3 | Very high | 65 Ų | 65 | 49.7 Ų | 49.7 | 30% | 0.304 | 25% | 0.249 | S | C | . | . | trans | -78.3 | 132.1 | 171.4 | -69 | -63.4 | -24 | 0 | 0 | 110.6 | W200 S250 C252 Q256 Q259 R260 | W200-Q254 WeakPolarHBondContact CZ3-O 3.48Å; S250-Q254 PolarHBondContact O-NE2 3.3Å; C252-Q254 VanDerWaalsContact C-N 3.28Å; C252-Q254 PolarHBondContact O-N 2.8Å; Q254-Q256 VanDerWaalsContact C-N 3.32Å; Q254-Q256 PolarHBondContact O-N 3.43Å; Q254-Q259 HydrophobicContact CB-CB 4Å; Q254-Q259 HydrophobicContact CG-CB 4.12Å; Q254-R260 HydrophobicContact CB-CG 3.86Å; Q254-R260 VanDerWaalsContact O-CZ 3.28Å; Q254-R260 PolarHBondContact O-NE 2.77Å; Q254-R260 PolarHBondContact O-NH2 3.45Å | ||
| 255 | R | 97.3 | Very high | 98.2 | Very high | 116 Ų | 116 | 49.1 Ų | 49.1 | 44% | 0.438 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -64.1 | -40.2 | -178.5 | -71.1 | 177.2 | 65.5 | 120.9 | 6.7 | 112.1 | M230 R260 | M230-R255 PolarHBondContact O-NH1 2.72Å; M230-R255 PolarHBondContact O-NH2 2.73Å; R255-R260 PolarHBondContact O-NH2 3.22Å |
| 256 | Q | 97.4 | Very high | 98.2 | Very high | 79 Ų | 79 | 49.1 Ų | 49.1 | 37% | 0.369 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -83.8 | 117 | 175.4 | -178.1 | 59.8 | 32.2 | 0 | 0 | 108.7 | Q254 T258 Q259 | Q254-Q256 VanDerWaalsContact C-N 3.32Å; Q254-Q256 PolarHBondContact O-N 3.43Å; Q256-T258 WeakPolarHBondContact CG-OG1 3.22Å; Q256-T258 PolarHBondContact NE2-OG1 3.21Å; Q256-T258 PolarHBondContact O-N 2.91Å; Q256-Q259 HydrophobicContact CB-CG 4.09Å; Q256-Q259 HydrophobicContact CG-CG 4.22Å; Q256-Q259 WeakPolarHBondContact O-CB 3.42Å; Q256-Q259 PolarHBondContact O-N 3.25Å |
| 257 | H | 97.8 | Very high | 98.2 | Very high | 31 Ų | 31 | 49.3 Ų | 49.3 | 14% | 0.144 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -58.7 | -32.8 | -178.2 | 70.8 | 108.2 | 0 | 0 | 0 | 112.8 | E186 D194 R196 Q259 R260 | E186-H257 HydrophobicContact CG-CB 4Å; D194-H257 IonicContact OD1-ND1 3.83Å; D194-H257 IonicContact OD2-CE1 3.81Å; D194-H257 PolarHBondContact OD2-CE1 3.02Å; D194-H257 IonicContact OD2-CG 2.92Å; D194-H257 IonicContact OD2-ND1 2.69Å; D194-H257 PolarHBondContact OD2-ND1 3.22Å; R196-H257 WeakPolarHBondContact CD-O 3.41Å; H257-Q259 PolarHBondContact O-N 3Å; H257-R260 WeakPolarHBondContact O-CB 3.31Å; H257-R260 PolarHBondContact O-N 3.3Å |
| 258 | T | 97.9 | Very high | 98.2 | Very high | 77 Ų | 77 | 53.6 Ų | 53.6 | 47% | 0.472 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -66.3 | -16.3 | 176.8 | 56.7 | 0 | 0 | 0 | 0 | 114.6 | Q256 | Q256-T258 WeakPolarHBondContact CG-OG1 3.22Å; Q256-T258 PolarHBondContact NE2-OG1 3.21Å; Q256-T258 PolarHBondContact O-N 2.91Å |
| 259 | Q | 98.3 | Very high | 98.2 | Very high | 124 Ų | 124 | 54.9 Ų | 54.9 | 58% | 0.579 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -89.7 | -7 | 174.4 | -65.2 | 178.2 | -22.8 | 0 | 0 | 112.8 | Q254 Q256 H257 | Q254-Q259 HydrophobicContact CB-CB 4Å; Q254-Q259 HydrophobicContact CG-CB 4.12Å; Q256-Q259 HydrophobicContact CB-CG 4.09Å; Q256-Q259 HydrophobicContact CG-CG 4.22Å; Q256-Q259 WeakPolarHBondContact O-CB 3.42Å; Q256-Q259 PolarHBondContact O-N 3.25Å; H257-Q259 PolarHBondContact O-N 3Å |
| 260 | R | 98.6 | Very high | 98.2 | Very high | 6 Ų | 6 | 62.3 Ų | 62.3 | 2% | 0.023 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -83.3 | 143.7 | 174.5 | -59.3 | 177.9 | -158.6 | 140.1 | 12.1 | 109.8 | E186 R196 I199 C252 Q254 R255 H257 | E186-R260 IonicContact OE1-CZ 3.07Å; E186-R260 IonicContact OE1-NH1 3.22Å; E186-R260 PolarHBondContact OE1-NH1 2.8Å; E186-R260 IonicContact OE1-NH2 2.69Å; E186-R260 IonicContact OE2-CZ 2.81Å; E186-R260 IonicContact OE2-NH1 2.72Å; E186-R260 PolarHBondContact OE2-NH1 2.74Å; E186-R260 IonicContact OE2-NH2 3.73Å; E186-R260 PolarHBondContact OE2-NH2 3.45Å; R196-R260 HydrophobicContact CB-CB 4.17Å; R196-R260 VanDerWaalsContact CD-O 3.24Å; R196-R260 WeakPolarHBondContact CD-O 3.46Å; R196-R260 HydrophobicContact CG-CB 4.48Å; R196-R260 WeakPolarHBondContact O-CD 3.25Å; R196-R260 PolarHBondContact O-NH1 2.76Å; I199-R260 HydrophobicContact CG2-CB 4.46Å; C252-R260 WeakPolarHBondContact O-CD 3.24Å; Q254-R260 HydrophobicContact CB-CG 3.86Å; Q254-R260 VanDerWaalsContact O-CZ 3.28Å; Q254-R260 PolarHBondContact O-NE 2.77Å; Q254-R260 PolarHBondContact O-NH2 3.45Å; R255-R260 PolarHBondContact O-NH2 3.22Å; H257-R260 WeakPolarHBondContact O-CB 3.31Å; H257-R260 PolarHBondContact O-N 3.3Å |
| 261 | P | 98.3 | Very high | 98.2 | Very high | 32 Ų | 32 | 58.9 Ų | 58.9 | 21% | 0.208 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 154.8 | 170.7 | 31.2 | -35.7 | 0 | 0 | 0 | 110.9 | A251 V266 | A251-P261 HydrophobicContact CB-CG 4.41Å; A251-P261 WeakPolarHBondContact O-CD 3.2Å; P261-V266 HydrophobicContact CB-CG2 4.37Å; P261-V266 HydrophobicContact CG-CG2 3.7Å |
| 262 | Y | 98.5 | Very high | 98.2 | Very high | 125 Ų | 125 | 58 Ų | 58 | 49% | 0.49 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 166.9 | 159.9 | -66 | -81 | 0 | 0 | 0 | 110.5 | R196 K264 G265 V266 | R196-Y262 HydrophobicContact CG-CD1 4.01Å; R196-Y262 HydrophobicContact CG-CE1 4.1Å; R196-Y262 PolarHBondContact NH1-OH 3.18Å; Y262-K264 PolarHBondContact O-N 2.81Å; Y262-K264 VanDerWaalsContact O-N 3.13Å; Y262-G265 WeakPolarHBondContact O-CA 3.29Å; Y262-G265 PolarHBondContact O-N 2.71Å; Y262-V266 PolarHBondContact O-N 2.73Å |
| 263 | L | 97.9 | Very high | 98 | Very high | 8 Ų | 8 | 64.8 Ų | 64.8 | 4% | 0.042 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -52.4 | -38.7 | -179.7 | -79.3 | 176.6 | 0 | 0 | 0 | 113.5 | I125 L128 E129 H132 I199 G265 V266 K267 | I125-L263 HydrophobicContact CG1-CD2 4.17Å; I125-L263 HydrophobicContact CG2-CD2 4.22Å; L128-L263 VanDerWaalsContact C-CD1 3.42Å; L128-L263 HydrophobicContact CB-CD1 3.68Å; E129-L263 VanDerWaalsContact CA-CD1 3.44Å; E129-L263 HydrophobicContact CB-CD1 3.98Å; E129-L263 VanDerWaalsContact N-CD1 3.26Å; H132-L263 HydrophobicContact CB-CD1 4.37Å; H132-L263 WeakPolarHBondContact ND1-CD1 3.47Å; I199-L263 HydrophobicContact CD1-CD2 3.36Å; I199-L263 HydrophobicContact CD1-CG 3.71Å; L263-G265 VanDerWaalsContact C-N 3.29Å; L263-G265 PolarHBondContact O-N 2.83Å; L263-V266 WeakPolarHBondContact O-CA 3.06Å; L263-V266 WeakPolarHBondContact O-CB 3.26Å; L263-V266 PolarHBondContact O-N 2.94Å; L263-K267 WeakPolarHBondContact O-CG 3.12Å; L263-K267 PolarHBondContact O-N 3.03Å |
| 264 | K | 97.4 | Very high | 97.8 | Very high | 155 Ų | 155 | 73.3 Ų | 73.3 | 67% | 0.674 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -52.8 | -47.1 | 173.7 | -174.8 | 177 | 178.6 | 179.7 | 0 | 112 | Y262 K267 | Y262-K264 PolarHBondContact O-N 2.81Å; Y262-K264 VanDerWaalsContact O-N 3.13Å; K264-K267 PolarHBondContact O-N 3.03Å |
| 265 | G | 98.2 | Very high | 97.8 | Very high | 21 Ų | 21 | 71.1 Ų | 71.1 | 22% | 0.216 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -71.7 | -28.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y262 L263 E268 | Y262-G265 WeakPolarHBondContact O-CA 3.29Å; Y262-G265 PolarHBondContact O-N 2.71Å; L263-G265 VanDerWaalsContact C-N 3.29Å; L263-G265 PolarHBondContact O-N 2.83Å; G265-E268 PolarHBondContact O-N 3.19Å |
| 266 | V | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 172.4 | 176.1 | 0 | 0 | 0 | 0 | 111 | I125 I199 L202 F248 P261 Y262 L263 E268 L269 L272 | I125-V266 HydrophobicContact CD1-CG1 3.89Å; I199-V266 HydrophobicContact CD1-CG2 4Å; I199-V266 HydrophobicContact CG2-CG2 3.89Å; L202-V266 HydrophobicContact CD2-CG1 4.38Å; F248-V266 HydrophobicContact CE2-CG1 3.83Å; F248-V266 HydrophobicContact CZ-CG1 4.48Å; P261-V266 HydrophobicContact CB-CG2 4.37Å; P261-V266 HydrophobicContact CG-CG2 3.7Å; Y262-V266 PolarHBondContact O-N 2.73Å; L263-V266 WeakPolarHBondContact O-CA 3.06Å; L263-V266 WeakPolarHBondContact O-CB 3.26Å; L263-V266 PolarHBondContact O-N 2.94Å; V266-E268 PolarHBondContact O-N 3.27Å; V266-L269 HydrophobicContact CB-CD1 4.45Å; V266-L269 HydrophobicContact CG1-CD1 4.24Å; V266-L269 VanDerWaalsContact O-CB 3.31Å; V266-L269 WeakPolarHBondContact O-CB 3.47Å; V266-L269 WeakPolarHBondContact O-CG 3.3Å; V266-L269 PolarHBondContact O-N 3.5Å; V266-L272 HydrophobicContact CG1-CD1 4.03Å |
| 267 | K | 98.3 | Very high | 97.9 | Very high | 39 Ų | 39 | 67.6 Ų | 67.6 | 17% | 0.17 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.4 | -25.5 | 178.3 | -66.1 | 172.8 | 73.6 | 168.7 | 0 | 112.8 | I125 E129 L263 K264 W277 | I125-K267 HydrophobicContact CG2-CD 3.99Å; I125-K267 HydrophobicContact CG2-CG 3.78Å; E129-K267 WeakPolarHBondContact OE1-CD 3.3Å; E129-K267 IonicContact OE1-NZ 3.41Å; E129-K267 PolarHBondContact OE1-NZ 3.37Å; E129-K267 IonicContact OE2-NZ 3.51Å; E129-K267 PolarHBondContact OE2-NZ 2.97Å; L263-K267 WeakPolarHBondContact O-CG 3.12Å; L263-K267 PolarHBondContact O-N 3.03Å; K264-K267 PolarHBondContact O-N 3.03Å; K267-W277 HydrophobicContact CB-CH2 4.32Å; K267-W277 HydrophobicContact CB-CZ2 3.62Å; K267-W277 HydrophobicContact CD-CD2 4.33Å; K267-W277 HydrophobicContact CD-CE3 4.36Å; K267-W277 HydrophobicContact CD-CH2 4.44Å; K267-W277 HydrophobicContact CD-CZ2 4.41Å; K267-W277 HydrophobicContact CD-CZ3 4.39Å; K267-W277 VanDerWaalsContact CE-CE3 3.46Å; K267-W277 HydrophobicContact CG-CD2 4.25Å; K267-W277 HydrophobicContact CG-CE3 4.39Å; K267-W277 HydrophobicContact CG-CH2 3.68Å; K267-W277 HydrophobicContact CG-CZ2 3.49Å; K267-W277 VanDerWaalsContact CG-CZ2 3.49Å; K267-W277 HydrophobicContact CG-CZ3 4.11Å |
| 268 | E | 97.9 | Very high | 97.8 | Very high | 141 Ų | 141 | 71 Ų | 71 | 66% | 0.659 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -8.8 | 178.5 | -65.5 | 169.2 | -174 | 0 | 0 | 113.6 | G265 V266 | G265-E268 PolarHBondContact O-N 3.19Å; V266-E268 PolarHBondContact O-N 3.27Å |
| 269 | L | 98.6 | Very high | 97.8 | Very high | 28 Ų | 28 | 72.2 Ų | 72.2 | 15% | 0.147 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -64.8 | 145.1 | 179.9 | -66.6 | 172.9 | 0 | 0 | 0 | 111.6 | F248 A251 V266 F271 L272 K273 | F248-L269 HydrophobicContact CD2-CB 4.44Å; F248-L269 HydrophobicContact CD2-CD1 3.6Å; F248-L269 HydrophobicContact CE2-CD1 4.12Å; F248-L269 HydrophobicContact CG-CD1 4.32Å; A251-L269 HydrophobicContact CB-CD1 3.93Å; A251-L269 HydrophobicContact CB-CD2 3.87Å; V266-L269 HydrophobicContact CB-CD1 4.45Å; V266-L269 HydrophobicContact CG1-CD1 4.24Å; V266-L269 VanDerWaalsContact O-CB 3.31Å; V266-L269 WeakPolarHBondContact O-CB 3.47Å; V266-L269 WeakPolarHBondContact O-CG 3.3Å; V266-L269 PolarHBondContact O-N 3.5Å; L269-F271 PolarHBondContact O-N 2.93Å; L269-L272 PolarHBondContact O-N 2.74Å; L269-K273 PolarHBondContact O-N 2.9Å |
| 270 | R | 98.3 | Very high | 97.8 | Very high | 162 Ų | 162 | 66.3 Ų | 66.3 | 61% | 0.611 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -31.2 | -178 | -69.7 | -178.6 | 62.8 | 177 | 1.6 | 114.3 | P244 L272 K273 | P244-R270 HydrophobicContact CB-CB 3.96Å; P244-R270 HydrophobicContact CG-CB 4.41Å; R270-L272 VanDerWaalsContact C-N 3.26Å; R270-L272 PolarHBondContact O-N 2.93Å; R270-K273 WeakPolarHBondContact O-CB 3.19Å |
| 271 | F | 98.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 67.1 Ų | 67.1 | 1% | 0.009 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -29.4 | 178.8 | -176.7 | -115.5 | 0 | 0 | 0 | 112.9 | E114 T117 R118 P244 L245 F248 L269 | E114-F271 HydrophobicContact CB-CE2 4.11Å; E114-F271 WeakPolarHBondContact O-CZ 3.45Å; T117-F271 HydrophobicContact CG2-CZ 4.48Å; R118-F271 HydrophobicContact CB-CE1 4.33Å; R118-F271 HydrophobicContact CB-CZ 4.16Å; R118-F271 PolarHBondContact NE-O 3.26Å; P244-F271 HydrophobicContact CB-CB 4.25Å; L245-F271 HydrophobicContact CB-CD2 3.79Å; L245-F271 HydrophobicContact CB-CE2 3.98Å; L245-F271 HydrophobicContact CD1-CD1 4.21Å; L245-F271 HydrophobicContact CD1-CD2 4.01Å; L245-F271 HydrophobicContact CD1-CE1 4.09Å; L245-F271 HydrophobicContact CD1-CE2 3.88Å; L245-F271 HydrophobicContact CD1-CG 4.18Å; L245-F271 HydrophobicContact CD1-CZ 3.94Å; L245-F271 HydrophobicContact CD2-CE2 4.32Å; L245-F271 HydrophobicContact CG-CD2 4.42Å; L245-F271 HydrophobicContact CG-CE2 4.28Å; F248-F271 HydrophobicContact CB-CB 3.93Å; F248-F271 HydrophobicContact CB-CG 4.43Å; F248-F271 HydrophobicContact CD2-CB 4.23Å; F248-F271 HydrophobicContact CD2-CD1 4.11Å; F248-F271 HydrophobicContact CG-CB 4.38Å; F248-F271 HydrophobicContact CG-CD1 4.31Å; L269-F271 PolarHBondContact O-N 2.93Å |
| 272 | L | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 4.5 | -178.3 | -55.8 | -179.9 | 0 | 0 | 0 | 113.1 | R118 I121 I125 F248 V266 L269 R270 Y274 V275 W277 | R118-L272 HydrophobicContact CG-CD2 3.97Å; I121-L272 HydrophobicContact CG2-CD2 4.42Å; I125-L272 HydrophobicContact CD1-CD1 3.42Å; I125-L272 VanDerWaalsContact CD1-CD1 3.42Å; F248-L272 HydrophobicContact CE2-CD1 4.31Å; V266-L272 HydrophobicContact CG1-CD1 4.03Å; L269-L272 PolarHBondContact O-N 2.74Å; R270-L272 VanDerWaalsContact C-N 3.26Å; R270-L272 PolarHBondContact O-N 2.93Å; L272-Y274 PolarHBondContact O-N 2.75Å; L272-V275 HydrophobicContact CB-CG2 4.19Å; L272-V275 HydrophobicContact CD2-CG2 4.2Å; L272-V275 WeakPolarHBondContact O-CB 3.45Å; L272-V275 WeakPolarHBondContact O-CG2 3.49Å; L272-V275 PolarHBondContact O-N 3.01Å; L272-W277 HydrophobicContact CB-CZ2 3.96Å; L272-W277 HydrophobicContact CD1-CH2 4.02Å; L272-W277 HydrophobicContact CD1-CZ2 3.92Å; L272-W277 HydrophobicContact CG-CZ2 4.48Å |
| 273 | K | 95.9 | Very high | 97.5 | Very high | 143 Ų | 143 | 65.1 Ų | 65.1 | 62% | 0.622 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.6 | -34.8 | -176.9 | -177.4 | -177.7 | 176.8 | -172.9 | 0 | 114.3 | L269 R270 | L269-K273 PolarHBondContact O-N 2.9Å; R270-K273 WeakPolarHBondContact O-CB 3.19Å |
| 274 | Y | 93.8 | Very high | 97.5 | Very high | 186 Ų | 186 | 70.7 Ų | 70.7 | 73% | 0.729 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | 9.9 | -175.7 | -56.3 | -60.9 | 0 | 0 | 0 | 113.7 | L272 D276 | L272-Y274 PolarHBondContact O-N 2.75Å; Y274-D276 PolarHBondContact O-N 3.02Å |
| 275 | V | 98.1 | Very high | 97.5 | Very high | 18 Ų | 18 | 65.4 Ų | 65.4 | 11% | 0.109 | 32% | 0.323 | C | S | . | . | trans | -74.9 | 119.9 | 171.8 | 177.1 | 0 | 0 | 0 | 0 | 108.2 | R118 A122 L272 W277 A280 | R118-V275 HydrophobicContact CG-CG2 3.69Å; A122-V275 HydrophobicContact CB-CG1 3.66Å; A122-V275 HydrophobicContact CB-CG2 4.26Å; L272-V275 HydrophobicContact CB-CG2 4.19Å; L272-V275 HydrophobicContact CD2-CG2 4.2Å; L272-V275 WeakPolarHBondContact O-CB 3.45Å; L272-V275 WeakPolarHBondContact O-CG2 3.49Å; L272-V275 PolarHBondContact O-N 3.01Å; V275-W277 HydrophobicContact CB-CD2 4.35Å; V275-W277 HydrophobicContact CB-CZ2 4.1Å; V275-W277 HydrophobicContact CG1-CD2 3.73Å; V275-W277 HydrophobicContact CG1-CE3 3.91Å; V275-W277 HydrophobicContact CG1-CG 4.24Å; V275-W277 HydrophobicContact CG1-CH2 4.21Å; V275-W277 HydrophobicContact CG1-CZ2 4.04Å; V275-W277 HydrophobicContact CG1-CZ3 4.16Å; V275-W277 PolarHBondContact O-N 2.87Å; V275-W277 VanDerWaalsContact O-N 3.16Å; V275-A280 HydrophobicContact CG1-CB 4.1Å | ||
| 276 | D | 97.9 | Very high | 97.4 | Very high | 65 Ų | 65 | 75.3 Ų | 75.3 | 35% | 0.348 | 35% | 0.354 | S | S | . | . | trans | -74.6 | 97.7 | 164 | -176.6 | -26.8 | 0 | 0 | 0 | 107.9 | Y274 C278 K279 A280 | Y274-D276 PolarHBondContact O-N 3.02Å; D276-C278 VanDerWaalsContact C-N 3.26Å; D276-C278 PolarHBondContact O-N 2.84Å; D276-C278 WeakPolarHBondContact OD1-CB 3.5Å; D276-C278 PolarHBondContact OD1-N 3Å; D276-C278 VanDerWaalsContact OD1-N 3.15Å; D276-K279 HydrophobicContact CB-CB 4.08Å; D276-K279 HydrophobicContact CB-CD 4.23Å; D276-K279 HydrophobicContact CB-CG 4.3Å; D276-K279 PolarHBondContact O-N 3.26Å; D276-K279 PolarHBondContact OD1-N 3.02Å; D276-K279 WeakPolarHBondContact OD2-CD 3.46Å; D276-K279 WeakPolarHBondContact OD2-CE 3.48Å; D276-K279 VanDerWaalsContact OD2-CG 3.32Å; D276-K279 WeakPolarHBondContact OD2-CG 3.42Å; D276-K279 IonicContact OD2-NZ 3.81Å; D276-A280 WeakPolarHBondContact O-CB 3.39Å; D276-A280 PolarHBondContact O-N 3.35Å | ||
| 277 | W | 97.8 | Very high | 97.3 | Very high | 56 Ų | 56 | 76.6 Ų | 76.6 | 21% | 0.212 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67 | -26 | -175.9 | -70.2 | 107.3 | 0 | 0 | 0 | 113.4 | A122 I125 K267 L272 V275 A280 G281 | A122-W277 HydrophobicContact CB-CH2 4.25Å; A122-W277 HydrophobicContact CB-CZ3 4.01Å; I125-W277 HydrophobicContact CB-CH2 4.1Å; I125-W277 HydrophobicContact CB-CZ3 4.04Å; I125-W277 HydrophobicContact CD1-CH2 3.89Å; I125-W277 HydrophobicContact CG2-CH2 3.73Å; I125-W277 HydrophobicContact CG2-CZ3 3.64Å; K267-W277 HydrophobicContact CB-CH2 4.32Å; K267-W277 HydrophobicContact CB-CZ2 3.62Å; K267-W277 HydrophobicContact CD-CD2 4.33Å; K267-W277 HydrophobicContact CD-CE3 4.36Å; K267-W277 HydrophobicContact CD-CH2 4.44Å; K267-W277 HydrophobicContact CD-CZ2 4.41Å; K267-W277 HydrophobicContact CD-CZ3 4.39Å; K267-W277 VanDerWaalsContact CE-CE3 3.46Å; K267-W277 HydrophobicContact CG-CD2 4.25Å; K267-W277 HydrophobicContact CG-CE3 4.39Å; K267-W277 HydrophobicContact CG-CH2 3.68Å; K267-W277 HydrophobicContact CG-CZ2 3.49Å; K267-W277 VanDerWaalsContact CG-CZ2 3.49Å; K267-W277 HydrophobicContact CG-CZ3 4.11Å; L272-W277 HydrophobicContact CB-CZ2 3.96Å; L272-W277 HydrophobicContact CD1-CH2 4.02Å; L272-W277 HydrophobicContact CD1-CZ2 3.92Å; L272-W277 HydrophobicContact CG-CZ2 4.48Å; V275-W277 HydrophobicContact CB-CD2 4.35Å; V275-W277 HydrophobicContact CB-CZ2 4.1Å; V275-W277 HydrophobicContact CG1-CD2 3.73Å; V275-W277 HydrophobicContact CG1-CE3 3.91Å; V275-W277 HydrophobicContact CG1-CG 4.24Å; V275-W277 HydrophobicContact CG1-CH2 4.21Å; V275-W277 HydrophobicContact CG1-CZ2 4.04Å; V275-W277 HydrophobicContact CG1-CZ3 4.16Å; V275-W277 PolarHBondContact O-N 2.87Å; V275-W277 VanDerWaalsContact O-N 3.16Å; W277-A280 HydrophobicContact CE3-CB 4.46Å; W277-G281 PolarHBondContact O-N 3.11Å |
| 278 | C | 97.1 | Very high | 97.2 | Very high | 102 Ų | 102 | 76.9 Ų | 76.9 | 69% | 0.689 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -68.4 | -48.8 | 173.6 | -65.4 | 0 | 0 | 0 | 0 | 109.8 | D276 A280 G281 S282 | D276-C278 VanDerWaalsContact C-N 3.26Å; D276-C278 PolarHBondContact O-N 2.84Å; D276-C278 WeakPolarHBondContact OD1-CB 3.5Å; D276-C278 PolarHBondContact OD1-N 3Å; D276-C278 VanDerWaalsContact OD1-N 3.15Å; C278-A280 PolarHBondContact O-N 2.89Å; C278-G281 PolarHBondContact O-N 2.9Å; C278-S282 PolarHBondContact O-N 3.36Å; C278-S282 VanDerWaalsContact O-N 3.13Å; C278-S282 PolarHBondContact O-OG 3.03Å |
| 279 | K | 98.1 | Very high | 97 | Very high | 103 Ų | 103 | 72.2 Ų | 72.2 | 45% | 0.448 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.3 | -39.6 | 176 | -70.7 | -178 | -171.6 | 175 | 0 | 112.7 | D276 S282 R283 L284 L285 | D276-K279 HydrophobicContact CB-CB 4.08Å; D276-K279 HydrophobicContact CB-CD 4.23Å; D276-K279 HydrophobicContact CB-CG 4.3Å; D276-K279 PolarHBondContact O-N 3.26Å; D276-K279 PolarHBondContact OD1-N 3.02Å; D276-K279 WeakPolarHBondContact OD2-CD 3.46Å; D276-K279 WeakPolarHBondContact OD2-CE 3.48Å; D276-K279 VanDerWaalsContact OD2-CG 3.32Å; D276-K279 WeakPolarHBondContact OD2-CG 3.42Å; D276-K279 IonicContact OD2-NZ 3.81Å; K279-S282 PolarHBondContact O-N 2.79Å; K279-R283 PolarHBondContact O-N 3.17Å; K279-L284 HydrophobicContact CB-CB 3.96Å; K279-L284 HydrophobicContact CG-CB 4.07Å; K279-L284 HydrophobicContact CG-CD1 4.44Å; K279-L284 PolarHBondContact O-N 3.04Å; K279-L285 HydrophobicContact CB-CD2 3.64Å; K279-L285 HydrophobicContact CB-CG 3.96Å; K279-L285 HydrophobicContact CD-CD2 4.22Å |
| 280 | A | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.7 | -50.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | F76 A122 V275 D276 W277 C278 S282 R283 L285 | F76-A280 WeakPolarHBondContact CE2-O 3.37Å; F76-A280 WeakPolarHBondContact CZ-O 3.45Å; A122-A280 HydrophobicContact CB-CB 4.18Å; V275-A280 HydrophobicContact CG1-CB 4.1Å; D276-A280 WeakPolarHBondContact O-CB 3.39Å; D276-A280 PolarHBondContact O-N 3.35Å; W277-A280 HydrophobicContact CE3-CB 4.46Å; C278-A280 PolarHBondContact O-N 2.89Å; A280-S282 PolarHBondContact O-N 3.04Å; A280-R283 PolarHBondContact O-N 3.3Å; A280-L285 HydrophobicContact CB-CD1 3.73Å; A280-L285 HydrophobicContact CB-CG 4.48Å |
| 281 | G | 96.6 | Very high | 96 | Very high | 23 Ų | 23 | 66.5 Ų | 66.5 | 24% | 0.237 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.6 | -23.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | F76 W277 C278 | F76-G281 WeakPolarHBondContact CE2-O 3.28Å; W277-G281 PolarHBondContact O-N 3.11Å; C278-G281 PolarHBondContact O-N 2.9Å |
| 282 | S | 96.8 | Very high | 95.3 | Very high | 78 Ų | 78 | 71.4 Ų | 71.4 | 55% | 0.545 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 12.4 | -179.9 | -57.7 | 0 | 0 | 0 | 0 | 114.5 | C278 K279 A280 L284 | C278-S282 PolarHBondContact O-N 3.36Å; C278-S282 VanDerWaalsContact O-N 3.13Å; C278-S282 PolarHBondContact O-OG 3.03Å; K279-S282 PolarHBondContact O-N 2.79Å; A280-S282 PolarHBondContact O-N 3.04Å; S282-L284 PolarHBondContact O-N 3.24Å |
| 283 | R | 96.6 | Very high | 94.2 | Very high | 38 Ų | 38 | 76.8 Ų | 76.8 | 14% | 0.143 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 32.5 | -177.3 | -66.4 | -170.4 | 163.6 | 162.7 | 4.8 | 115.1 | P75 F76 Y149 H153 V154 K279 A280 | P75-R283 VanDerWaalsContact C-NH2 3.29Å; P75-R283 HydrophobicContact CG-CG 4.46Å; P75-R283 PolarHBondContact O-NH2 2.84Å; F76-R283 HydrophobicContact CE1-CG 3.85Å; F76-R283 HydrophobicContact CZ-CG 3.57Å; Y149-R283 VanDerWaalsContact CD2-CZ 3.42Å; H153-R283 PolarHBondContact CE1-O 3.3Å; H153-R283 PolarHBondContact NE2-O 2.97Å; V154-R283 PolarHBondContact O-NH2 3.15Å; V154-R283 VanDerWaalsContact O-NH2 3.15Å; K279-R283 PolarHBondContact O-N 3.17Å; A280-R283 PolarHBondContact O-N 3.3Å |
| 284 | L | 97.4 | Very high | 93.3 | Very high | 125 Ų | 125 | 70.8 Ų | 70.8 | 65% | 0.654 | 37% | 0.365 | S | S | * | . | trans | -92.7 | -5.8 | 178.5 | -61.7 | 176.3 | 0 | 0 | 0 | 112.9 | K279 S282 | K279-L284 HydrophobicContact CB-CB 3.96Å; K279-L284 HydrophobicContact CG-CB 4.07Å; K279-L284 HydrophobicContact CG-CD1 4.44Å; K279-L284 PolarHBondContact O-N 3.04Å; S282-L284 PolarHBondContact O-N 3.24Å | ||
| 285 | L | 96.3 | Very high | 92 | Very high | 43 Ų | 43 | 70.7 Ų | 70.7 | 23% | 0.225 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -80.3 | 133.9 | 172.4 | -62.1 | -176.8 | 0 | 0 | 0 | 109.7 | F119 H153 K279 A280 P287 | F119-L285 HydrophobicContact CD2-CB 4.01Å; F119-L285 HydrophobicContact CE2-CB 3.64Å; F119-L285 WeakPolarHBondContact CE2-O 3.36Å; H153-L285 PolarHBondContact CE1-O 3.49Å; K279-L285 HydrophobicContact CB-CD2 3.64Å; K279-L285 HydrophobicContact CB-CG 3.96Å; K279-L285 HydrophobicContact CD-CD2 4.22Å; A280-L285 HydrophobicContact CB-CD1 3.73Å; A280-L285 HydrophobicContact CB-CG 4.48Å; L285-P287 VanDerWaalsContact O-CD 3.32Å; L285-P287 WeakPolarHBondContact O-CD 3.26Å |
| 286 | R | 96.6 | Very high | 90.4 | Very high | 230 Ų | 230 | 74.8 Ų | 74.8 | 87% | 0.868 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 123.5 | 179.3 | -176.9 | 177.6 | 178 | 177.5 | 1.3 | 111.4 | ||
| 287 | P | 97.2 | Very high | 88.7 | Confident | 26 Ų | 26 | 75.7 Ų | 75.7 | 17% | 0.169 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 139.9 | 174.2 | -26.1 | 36.5 | 0 | 0 | 0 | 113.1 | F119 L285 | F119-P287 HydrophobicContact CE1-CB 4.16Å; F119-P287 VanDerWaalsContact CZ-CA 3.49Å; F119-P287 HydrophobicContact CZ-CB 3.91Å; F119-P287 HydrophobicContact CZ-CG 3.86Å; L285-P287 VanDerWaalsContact O-CD 3.32Å; L285-P287 WeakPolarHBondContact O-CD 3.26Å |
| 288 | P | 96.3 | Very high | 86.4 | Confident | 45 Ų | 45 | 80.2 Ų | 80.2 | 29% | 0.292 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -78.9 | -16.2 | -178.1 | 28.7 | -32.9 | 0 | 0 | 0 | 114.1 | N116 F119 Y120 | N116-P288 HydrophobicContact CB-CB 4.21Å; N116-P288 HydrophobicContact CB-CG 4.15Å; F119-P288 HydrophobicContact CB-CG 4.4Å; F119-P288 HydrophobicContact CD1-CG 3.93Å; F119-P288 HydrophobicContact CG-CG 4.23Å; Y120-P288 HydrophobicContact CE2-CG 3.77Å |
| 289 | Y | 93.9 | Very high | 84 | Confident | 44 Ų | 44 | 77.5 Ų | 77.5 | 17% | 0.173 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -134.2 | 141.3 | 179 | -61 | -82.7 | 0 | 0 | 0 | 110.2 | L105 V109 L112 N116 Y120 | L105-Y289 HydrophobicContact CD1-CD1 3.98Å; L105-Y289 HydrophobicContact CD1-CD2 3.9Å; L105-Y289 HydrophobicContact CD1-CE1 4.29Å; L105-Y289 HydrophobicContact CD1-CE2 4.22Å; L105-Y289 HydrophobicContact CD1-CG 3.78Å; L105-Y289 HydrophobicContact CD2-CD2 3.78Å; L105-Y289 HydrophobicContact CD2-CE2 4.09Å; L105-Y289 HydrophobicContact CD2-CG 4.39Å; V109-Y289 HydrophobicContact CG1-CD1 4.35Å; V109-Y289 HydrophobicContact CG1-CE1 3.92Å; V109-Y289 HydrophobicContact CG2-CE1 4.44Å; L112-Y289 HydrophobicContact CD2-CE2 3.85Å; N116-Y289 HydrophobicContact CB-CE2 4.07Å; N116-Y289 WeakPolarHBondContact ND2-CE2 3.36Å; N116-Y289 PolarHBondContact ND2-OH 3.37Å; Y120-Y289 AromaticContact CE2-CD2 3.94Å; Y120-Y289 HydrophobicContact CE2-CD2 3.94Å; Y120-Y289 HydrophobicContact CE2-CE2 4.31Å; Y120-Y289 WeakPolarHBondContact OH-CD2 3.42Å |
| 290 | S | 89.4 | Confident | 81.3 | Confident | 47 Ų | 47 | 79 Ų | 79 | 33% | 0.329 | 40% | 0.396 | S | S | . | . | trans | -87.4 | 140.5 | 171.1 | 179.5 | 0 | 0 | 0 | 0 | 110.1 | S292 E293 | S290-S292 PolarHBondContact O-N 2.78Å; S290-S292 PolarHBondContact OG-N 3.25Å; S290-S292 PolarHBondContact OG-OG 3.15Å; S290-E293 WeakPolarHBondContact O-CB 3.14Å; S290-E293 PolarHBondContact O-N 3.16Å; S290-E293 VanDerWaalsContact O-N 3.14Å | ||
| 291 | T | 86.1 | Confident | 78.7 | Confident | 23 Ų | 23 | 83.9 Ų | 83.9 | 14% | 0.141 | 42% | 0.418 | C | S | . | . | G | 310 helix | trans | -65.1 | -24.5 | 174.9 | 61.3 | 0 | 0 | 0 | 0 | 112.9 | F148 Y149 P150 E293 L294 | F148-T291 HydrophobicContact CB-CG2 3.79Å; F148-T291 HydrophobicContact CD1-CG2 4.22Å; F148-T291 HydrophobicContact CG-CG2 4.23Å; Y149-T291 WeakPolarHBondContact O-CG2 3.39Å; P150-T291 PolarHBondContact O-OG1 2.98Å; T291-E293 PolarHBondContact O-N 3.46Å; T291-E293 VanDerWaalsContact O-N 3.17Å; T291-L294 WeakPolarHBondContact O-CB 3.36Å; T291-L294 PolarHBondContact O-N 3.13Å |
| 292 | S | 82.5 | Confident | 76.2 | Confident | 104 Ų | 104 | 84.7 Ų | 84.7 | 73% | 0.727 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -62 | -21.5 | 174.8 | 65 | 0 | 0 | 0 | 0 | 113.3 | S290 | S290-S292 PolarHBondContact O-N 2.78Å; S290-S292 PolarHBondContact OG-N 3.25Å; S290-S292 PolarHBondContact OG-OG 3.15Å |
| 293 | E | 75.6 | Confident | 73.7 | Confident | 113 Ų | 113 | 90.3 Ų | 90.3 | 53% | 0.528 | 43% | 0.432 | S | S | . | . | G | 310 helix | trans | -87.4 | -17.8 | 177.4 | -59.8 | 175.9 | 173.1 | 0 | 0 | 111.9 | H108 S290 T291 | H108-E293 PolarHBondContact NE2-O 3.47Å; S290-E293 WeakPolarHBondContact O-CB 3.14Å; S290-E293 PolarHBondContact O-N 3.16Å; S290-E293 VanDerWaalsContact O-N 3.14Å; T291-E293 PolarHBondContact O-N 3.46Å; T291-E293 VanDerWaalsContact O-N 3.17Å |
| 294 | L | 77 | Confident | 71.4 | Confident | 17 Ų | 17 | 92.2 Ų | 92.2 | 9% | 0.089 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -82.3 | 132.9 | -179.3 | -56.1 | -177.7 | 0 | 0 | 0 | 110.2 | C100 L105 F148 T291 | C100-L294 HydrophobicContact CB-CB 4.4Å; C100-L294 HydrophobicContact CB-CD1 4.12Å; L105-L294 HydrophobicContact CB-CD1 4.45Å; L105-L294 HydrophobicContact CB-CD2 4.1Å; L105-L294 HydrophobicContact CD1-CD2 3.6Å; L105-L294 HydrophobicContact CG-CD2 4.45Å; F148-L294 HydrophobicContact CD2-CD1 4.12Å; F148-L294 HydrophobicContact CE2-CD1 4.04Å; F148-L294 HydrophobicContact CG-CD1 4.43Å; F148-L294 HydrophobicContact CZ-CD1 4.33Å; T291-L294 WeakPolarHBondContact O-CB 3.36Å; T291-L294 PolarHBondContact O-N 3.13Å |
| 295 | R | 67.1 | Low | 69.5 | Low | 185 Ų | 185 | 91.8 Ų | 91.8 | 70% | 0.698 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -100.3 | 128.7 | 169.4 | -65.4 | -175.4 | -177.4 | 177 | 0.8 | 108.4 | R297 | R295-R297 PolarHBondContact O-N 3.29Š|
| 296 | H | 64.4 | Low | 68.2 | Low | 104 Ų | 104 | 91 Ų | 91 | 48% | 0.481 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 134.7 | 170.3 | -166.6 | -86.4 | 0 | 0 | 0 | 109.9 | I18 G99 L298 | I18-H296 PolarHBondContact O-NE2 3.16Å; G99-H296 PolarHBondContact O-CD2 3.29Å; H296-L298 PolarHBondContact O-N 3.35Å |
| 297 | R | 62.3 | Low | 67.5 | Low | 83 Ų | 83 | 82.9 Ų | 82.9 | 31% | 0.313 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 130.5 | 168.5 | -80.3 | 171.8 | -63.4 | 160.6 | 4.9 | 109.3 | D101 Y103 D104 R295 S299 | D101-R297 IonicContact OD1-CZ 2.73Å; D101-R297 IonicContact OD1-NH2 2.91Å; D101-R297 PolarHBondContact OD1-NH2 2.97Å; D101-R297 VanDerWaalsContact OD1-NH2 3.13Å; D101-R297 IonicContact OD2-CZ 2.93Å; D101-R297 IonicContact OD2-NH2 3.71Å; D101-R297 PolarHBondContact OD2-NH2 2.72Å; Y103-R297 VanDerWaalsContact CD1-NE 3.35Å; D104-R297 WeakPolarHBondContact OD1-CB 3.16Å; D104-R297 WeakPolarHBondContact OD1-CD 3.33Å; D104-R297 WeakPolarHBondContact OD1-CG 3.49Å; D104-R297 IonicContact OD1-CZ 2.62Å; D104-R297 PolarHBondContact OD1-N 2.85Å; D104-R297 IonicContact OD1-NE 3.24Å; D104-R297 PolarHBondContact OD1-NE 3.44Å; D104-R297 IonicContact OD1-NH2 2.98Å; D104-R297 PolarHBondContact OD1-NH2 2.91Å; D104-R297 IonicContact OD2-NH2 3.86Å; R295-R297 PolarHBondContact O-N 3.29Å; R297-S299 PolarHBondContact O-N 2.77Å |
| 298 | L | 49.6 | Very low | 66.9 | Low | 152 Ų | 152 | 84.3 Ų | 84.3 | 80% | 0.796 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 125.5 | 153.7 | -64.9 | 171.4 | 0 | 0 | 0 | 106.4 | H296 K300 | H296-L298 PolarHBondContact O-N 3.35Å; L298-K300 PolarHBondContact O-N 3.06Å |
| 299 | S | 46.2 | Very low | 66.4 | Low | 45 Ų | 45 | 86.2 Ų | 86.2 | 32% | 0.315 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -52.8 | 137.6 | 177.5 | -169.7 | 0 | 0 | 0 | 0 | 108.6 | R20 R297 E301 D302 | R20-S299 PolarHBondContact NH2-OG 3.46Å; R297-S299 PolarHBondContact O-N 2.77Å; S299-E301 PolarHBondContact O-N 2.87Å; S299-D302 WeakPolarHBondContact CB-OD1 3.19Å; S299-D302 WeakPolarHBondContact CB-OD2 3.41Å; S299-D302 PolarHBondContact N-OD2 3.23Å; S299-D302 WeakPolarHBondContact O-CA 3.45Å; S299-D302 VanDerWaalsContact O-CB 3.27Å; S299-D302 WeakPolarHBondContact O-CB 3.36Å; S299-D302 PolarHBondContact O-N 3.31Å |
| 300 | K | 42.5 | Very low | 66.1 | Low | 135 Ų | 135 | 86 Ų | 86 | 59% | 0.587 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -21.4 | 173.8 | -90.2 | -175.4 | 176.5 | 178.4 | 0 | 113 | L298 P426 | L298-K300 PolarHBondContact O-N 3.06Å; K300-P426 VanDerWaalsContact NZ-CD 3.34Å; K300-P426 VanDerWaalsContact NZ-N 3.11Å |
| 301 | E | 41.5 | Very low | 66 | Low | 101 Ų | 101 | 89 Ų | 89 | 47% | 0.472 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 0.3 | 175.9 | -78.1 | 171.7 | -130 | 0 | 0 | 112.2 | R20 S299 K303 R429 | R20-E301 VanDerWaalsContact CZ-CB 3.42Å; R20-E301 IonicContact CZ-OE2 2.7Å; R20-E301 IonicContact NE-OE2 2.71Å; R20-E301 PolarHBondContact NE-OE2 2.98Å; R20-E301 IonicContact NH1-OE2 2.81Å; R20-E301 PolarHBondContact NH1-OE2 3.08Å; R20-E301 IonicContact NH2-OE2 3.7Å; S299-E301 PolarHBondContact O-N 2.87Å; E301-K303 PolarHBondContact O-N 3.09Å; E301-R429 IonicContact OE1-NH2 3.23Å; E301-R429 PolarHBondContact OE1-NH2 3.03Å; E301-R429 IonicContact OE2-NH2 2.74Å; E301-R429 PolarHBondContact OE2-NH2 2.91Å |
| 302 | D | 44.9 | Very low | 66 | Low | 40 Ų | 40 | 93.3 Ų | 93.3 | 21% | 0.214 | 49% | 0.493 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | 33.9 | 165 | -65 | -21.2 | 0 | 0 | 0 | 111.8 | S299 T304 | S299-D302 WeakPolarHBondContact CB-OD1 3.19Å; S299-D302 WeakPolarHBondContact CB-OD2 3.41Å; S299-D302 PolarHBondContact N-OD2 3.23Å; S299-D302 WeakPolarHBondContact O-CA 3.45Å; S299-D302 VanDerWaalsContact O-CB 3.27Å; S299-D302 WeakPolarHBondContact O-CB 3.36Å; S299-D302 PolarHBondContact O-N 3.31Å; D302-T304 CarbonylContact C-O 3.56Å; D302-T304 WeakPolarHBondContact CA-O 3.3Å; D302-T304 CarbonylContact O-C 3.52Å; D302-T304 PolarHBondContact O-N 2.98Å |
| 303 | K | 45 | Very low | 66.3 | Low | 196 Ų | 196 | 88.4 Ų | 88.4 | 85% | 0.852 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -26.6 | 161.1 | -74.3 | -173.5 | 178.3 | -179.9 | 0 | 110.4 | E301 | E301-K303 PolarHBondContact O-N 3.09Š|
| 304 | T | 49 | Very low | 67 | Low | 78 Ų | 78 | 84.2 Ų | 84.2 | 48% | 0.479 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -91.5 | 106.8 | 157.5 | 46.9 | 0 | 0 | 0 | 0 | 107.8 | D302 V306 | D302-T304 CarbonylContact C-O 3.56Å; D302-T304 WeakPolarHBondContact CA-O 3.3Å; D302-T304 CarbonylContact O-C 3.52Å; D302-T304 PolarHBondContact O-N 2.98Å; T304-V306 PolarHBondContact O-N 3.06Å |
| 305 | S | 57.4 | Low | 67.6 | Low | 117 Ų | 117 | 87 Ų | 87 | 82% | 0.818 | 46% | 0.46 | S | S | * | . | trans | -64.9 | 62.1 | 172.3 | -52.9 | 0 | 0 | 0 | 0 | 111.2 | S307 | S305-S307 PolarHBondContact O-N 3.25Š| ||
| 306 | V | 67.8 | Low | 68.6 | Low | 26 Ų | 26 | 78.4 Ų | 78.4 | 16% | 0.158 | 43% | 0.429 | C | S | . | . | trans | -69.9 | 118.3 | 177.1 | -174.4 | 0 | 0 | 0 | 0 | 106.6 | T304 S308 D310 L313 N325 | T304-V306 PolarHBondContact O-N 3.06Å; V306-S308 PolarHBondContact O-N 2.92Å; V306-D310 HydrophobicContact CG1-CB 3.78Å; V306-L313 HydrophobicContact CG1-CB 4.34Å; V306-L313 HydrophobicContact CG1-CD2 3.73Å; V306-N325 WeakPolarHBondContact CG1-ND2 3.49Å; V306-N325 HydrophobicContact CG2-CB 3.96Å | ||
| 307 | S | 81.2 | Confident | 69.9 | Low | 60 Ų | 60 | 73.4 Ų | 73.4 | 42% | 0.42 | 41% | 0.406 | S | S | . | . | trans | -56.5 | 139.2 | 176.9 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | S305 T309 D310 | S305-S307 PolarHBondContact O-N 3.25Å; S307-T309 PolarHBondContact O-N 2.85Å; S307-T309 PolarHBondContact OG-N 2.69Å; S307-T309 PolarHBondContact OG-OG1 3.44Å; S307-T309 VanDerWaalsContact OG-OG1 3.06Å; S307-D310 VanDerWaalsContact O-CB 3.22Å; S307-D310 WeakPolarHBondContact O-CB 3.31Å; S307-D310 PolarHBondContact O-N 3.18Å | ||
| 308 | S | 84.9 | Confident | 71.2 | Confident | 56 Ų | 56 | 71.2 Ų | 71.2 | 39% | 0.392 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -18.7 | 172.6 | 56.2 | 0 | 0 | 0 | 0 | 112.2 | R16 F17 V306 | R16-S308 CarbonylContact C-O 3.58Å; R16-S308 VanDerWaalsContact CA-O 3.25Å; R16-S308 WeakPolarHBondContact CA-O 3.18Å; F17-S308 PolarHBondContact N-O 3.46Å; F17-S308 WeakPolarHBondContact O-CB 3.4Å; V306-S308 PolarHBondContact O-N 2.92Å |
| 309 | T | 87.4 | Confident | 73.1 | Confident | 84 Ų | 84 | 68.4 Ų | 68.4 | 52% | 0.515 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 16.7 | 176.1 | 64.1 | 0 | 0 | 0 | 0 | 113.5 | S307 V311 | S307-T309 PolarHBondContact O-N 2.85Å; S307-T309 PolarHBondContact OG-N 2.69Å; S307-T309 PolarHBondContact OG-OG1 3.44Å; S307-T309 VanDerWaalsContact OG-OG1 3.06Å; T309-V311 PolarHBondContact O-N 2.63Å |
| 310 | D | 87.2 | Confident | 74.9 | Confident | 40 Ų | 40 | 68 Ų | 68 | 21% | 0.214 | 38% | 0.377 | C | S | . | . | trans | -62 | 118.9 | 178.9 | -177.3 | -56.5 | 0 | 0 | 0 | 110.9 | V306 S307 N312 L313 L314 | V306-D310 HydrophobicContact CG1-CB 3.78Å; S307-D310 VanDerWaalsContact O-CB 3.22Å; S307-D310 WeakPolarHBondContact O-CB 3.31Å; S307-D310 PolarHBondContact O-N 3.18Å; D310-N312 VanDerWaalsContact C-N 3.29Å; D310-N312 PolarHBondContact O-N 3.5Å; D310-N312 WeakPolarHBondContact OD1-CA 3.16Å; D310-N312 VanDerWaalsContact OD1-CB 3.31Å; D310-N312 WeakPolarHBondContact OD1-CB 3.46Å; D310-N312 PolarHBondContact OD1-N 3.44Å; D310-L313 HydrophobicContact CB-CB 4Å; D310-L313 WeakPolarHBondContact O-CA 3.03Å; D310-L313 WeakPolarHBondContact O-CB 3.37Å; D310-L313 PolarHBondContact O-N 3.07Å; D310-L313 PolarHBondContact OD1-N 2.89Å; D310-L313 VanDerWaalsContact OD1-N 3.12Å; D310-L314 WeakPolarHBondContact O-CG 3.33Å; D310-L314 PolarHBondContact O-N 3.13Å | ||
| 311 | V | 87.5 | Confident | 76.7 | Confident | 111 Ų | 111 | 66.7 Ų | 66.7 | 67% | 0.673 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -60.7 | -35.8 | -174.7 | -179.5 | 0 | 0 | 0 | 0 | 112.5 | T309 L313 L314 S315 | T309-V311 PolarHBondContact O-N 2.63Å; V311-L313 VanDerWaalsContact C-N 3.32Å; V311-L314 PolarHBondContact O-N 3.06Å; V311-S315 VanDerWaalsContact O-CB 3.31Å; V311-S315 WeakPolarHBondContact O-CB 3.19Å; V311-S315 PolarHBondContact O-N 2.84Å; V311-S315 PolarHBondContact O-OG 2.56Å; V311-S315 VanDerWaalsContact O-OG 3.07Å |
| 312 | N | 86.2 | Confident | 78.6 | Confident | 113 Ų | 113 | 65.3 Ų | 65.3 | 60% | 0.604 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -69.4 | -34.7 | 177.9 | -64.6 | -40.6 | 0 | 0 | 0 | 111.1 | D310 S315 | D310-N312 VanDerWaalsContact C-N 3.29Å; D310-N312 PolarHBondContact O-N 3.5Å; D310-N312 WeakPolarHBondContact OD1-CA 3.16Å; D310-N312 VanDerWaalsContact OD1-CB 3.31Å; D310-N312 WeakPolarHBondContact OD1-CB 3.46Å; D310-N312 PolarHBondContact OD1-N 3.44Å; N312-S315 PolarHBondContact O-OG 3.15Å |
| 313 | L | 87.1 | Confident | 80.1 | Confident | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.2 | -47.5 | 172.2 | -179.3 | 53.2 | 0 | 0 | 0 | 111.7 | F17 Y27 V306 D310 V311 G316 P323 F326 | F17-L313 HydrophobicContact CB-CD2 3.53Å; F17-L313 HydrophobicContact CB-CG 4.13Å; F17-L313 HydrophobicContact CD1-CD2 3.74Å; F17-L313 HydrophobicContact CD2-CD1 4.45Å; F17-L313 HydrophobicContact CD2-CD2 4.07Å; F17-L313 HydrophobicContact CD2-CG 4.39Å; F17-L313 HydrophobicContact CE1-CD2 4.44Å; F17-L313 HydrophobicContact CG-CD2 3.51Å; F17-L313 HydrophobicContact CG-CG 4.23Å; Y27-L313 HydrophobicContact CE1-CD1 4.3Å; Y27-L313 HydrophobicContact CE1-CG 4.27Å; V306-L313 HydrophobicContact CG1-CB 4.34Å; V306-L313 HydrophobicContact CG1-CD2 3.73Å; D310-L313 HydrophobicContact CB-CB 4Å; D310-L313 WeakPolarHBondContact O-CA 3.03Å; D310-L313 WeakPolarHBondContact O-CB 3.37Å; D310-L313 PolarHBondContact O-N 3.07Å; D310-L313 PolarHBondContact OD1-N 2.89Å; D310-L313 VanDerWaalsContact OD1-N 3.12Å; V311-L313 VanDerWaalsContact C-N 3.32Å; L313-G316 PolarHBondContact O-N 3.25Å; L313-P323 HydrophobicContact CD1-CB 3.91Å; L313-P323 HydrophobicContact CD1-CG 3.88Å; L313-F326 HydrophobicContact CD1-CD2 4.08Å; L313-F326 HydrophobicContact CD1-CE2 3.56Å; L313-F326 HydrophobicContact CD2-CE2 4.1Å; L313-F326 HydrophobicContact CG-CE2 4.47Å |
| 314 | L | 90.9 | Very high | 81.2 | Confident | 24 Ų | 24 | 57.7 Ų | 57.7 | 13% | 0.126 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.1 | -37.1 | -176.7 | -59.9 | -170 | 0 | 0 | 0 | 113 | V14 E15 F17 Y27 D310 V311 G316 A317 | V14-L314 HydrophobicContact CB-CB 4.38Å; V14-L314 HydrophobicContact CG1-CB 4.08Å; V14-L314 HydrophobicContact CG1-CD2 3.88Å; V14-L314 HydrophobicContact CG1-CG 4.38Å; E15-L314 WeakPolarHBondContact O-CD1 3.43Å; F17-L314 HydrophobicContact CB-CD2 4.36Å; Y27-L314 HydrophobicContact CD1-CD2 3.99Å; Y27-L314 HydrophobicContact CE1-CD2 4.38Å; D310-L314 WeakPolarHBondContact O-CG 3.33Å; D310-L314 PolarHBondContact O-N 3.13Å; V311-L314 PolarHBondContact O-N 3.06Å; L314-G316 PolarHBondContact O-N 2.91Å; L314-G316 VanDerWaalsContact O-N 3.11Å; L314-A317 VanDerWaalsContact O-CB 3.24Å; L314-A317 WeakPolarHBondContact O-CB 3.25Å; L314-A317 PolarHBondContact O-N 2.86Å |
| 315 | S | 89.3 | Confident | 82.1 | Confident | 76 Ų | 76 | 56.7 Ų | 56.7 | 53% | 0.531 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -19.4 | 176.8 | 61.9 | 0 | 0 | 0 | 0 | 113.8 | V311 N312 | V311-S315 VanDerWaalsContact O-CB 3.31Å; V311-S315 WeakPolarHBondContact O-CB 3.19Å; V311-S315 PolarHBondContact O-N 2.84Å; V311-S315 PolarHBondContact O-OG 2.56Å; V311-S315 VanDerWaalsContact O-OG 3.07Å; N312-S315 PolarHBondContact O-OG 3.15Å |
| 316 | G | 88.1 | Confident | 82.6 | Confident | 4 Ų | 4 | 52 Ų | 52 | 4% | 0.041 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -6.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115 | R45 L313 L314 F318 K319 | R45-G316 PolarHBondContact NH1-O 2.97Å; L313-G316 PolarHBondContact O-N 3.25Å; L314-G316 PolarHBondContact O-N 2.91Å; L314-G316 VanDerWaalsContact O-N 3.11Å; G316-F318 PolarHBondContact O-N 3.22Å; G316-K319 PolarHBondContact O-N 3.09Å |
| 317 | A | 91.2 | Very high | 82.1 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -22.4 | -167.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | V14 Y27 L43 R45 L314 | V14-A317 HydrophobicContact CB-CB 4.36Å; V14-A317 HydrophobicContact CG1-CB 3.87Å; V14-A317 HydrophobicContact CG2-CB 3.57Å; Y27-A317 HydrophobicContact CD1-CB 4.09Å; Y27-A317 HydrophobicContact CD2-CB 3.85Å; Y27-A317 HydrophobicContact CE1-CB 4.12Å; Y27-A317 HydrophobicContact CE2-CB 3.88Å; Y27-A317 HydrophobicContact CG-CB 3.95Å; L43-A317 HydrophobicContact CD2-CB 3.94Å; L43-A317 VanDerWaalsContact CD2-O 3.31Å; L43-A317 WeakPolarHBondContact CD2-O 3.32Å; R45-A317 VanDerWaalsContact CD-O 3.25Å; R45-A317 WeakPolarHBondContact CD-O 3.17Å; L314-A317 VanDerWaalsContact O-CB 3.24Å; L314-A317 WeakPolarHBondContact O-CB 3.25Å; L314-A317 PolarHBondContact O-N 2.86Å |
| 318 | F | 90.9 | Very high | 80.7 | Confident | 37 Ų | 37 | 53.7 Ų | 53.7 | 16% | 0.162 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | 15.5 | 176.5 | -64.2 | -81.5 | 0 | 0 | 0 | 113 | P9 F12 V14 L43 M84 S89 G316 | P9-F318 HydrophobicContact CB-CB 3.94Å; P9-F318 HydrophobicContact CB-CD1 3.71Å; P9-F318 HydrophobicContact CB-CD2 4.09Å; P9-F318 HydrophobicContact CB-CE1 4.15Å; P9-F318 HydrophobicContact CB-CG 3.67Å; P9-F318 HydrophobicContact CG-CB 4.23Å; P9-F318 HydrophobicContact CG-CD1 3.87Å; P9-F318 HydrophobicContact CG-CE1 4.47Å; P9-F318 HydrophobicContact CG-CG 4.18Å; F12-F318 HydrophobicContact CB-CE2 4.31Å; F12-F318 HydrophobicContact CB-CZ 3.93Å; F12-F318 HydrophobicContact CD2-CZ 4.28Å; F12-F318 HydrophobicContact CG-CZ 4.35Å; V14-F318 HydrophobicContact CG2-CD2 4.27Å; V14-F318 HydrophobicContact CG2-CE2 3.83Å; L43-F318 HydrophobicContact CD1-CD1 4.34Å; L43-F318 HydrophobicContact CD1-CE1 3.5Å; L43-F318 VanDerWaalsContact CD1-CE1 3.5Å; L43-F318 HydrophobicContact CD1-CZ 3.89Å; L43-F318 HydrophobicContact CD2-CD1 4.05Å; L43-F318 HydrophobicContact CD2-CD2 4.33Å; L43-F318 HydrophobicContact CD2-CE1 3.61Å; L43-F318 HydrophobicContact CD2-CE2 3.92Å; L43-F318 HydrophobicContact CD2-CG 4.4Å; L43-F318 HydrophobicContact CD2-CZ 3.54Å; L43-F318 HydrophobicContact CG-CE1 4.22Å; L43-F318 HydrophobicContact CG-CZ 4.35Å; M84-F318 HydrophobicContact CE-CE1 3.76Å; S89-F318 WeakPolarHBondContact CB-O 3.29Å; S89-F318 PolarHBondContact OG-O 2.9Å; G316-F318 PolarHBondContact O-N 3.22Å |
| 319 | K | 88.9 | Confident | 78.7 | Confident | 92 Ų | 92 | 59.7 Ų | 59.7 | 40% | 0.4 | 32% | 0.321 | S | S | . | . | trans | -93.6 | 149 | 179.3 | -59.6 | -54.3 | -169.1 | -178 | 0 | 110.7 | R45 S89 G316 W321 | R45-K319 VanDerWaalsContact CD-O 3.27Å; R45-K319 WeakPolarHBondContact CD-O 3.44Å; R45-K319 PolarHBondContact NH1-O 2.88Å; S89-K319 PolarHBondContact OG-O 3.49Å; G316-K319 PolarHBondContact O-N 3.09Å; K319-W321 VanDerWaalsContact C-N 3.3Å; K319-W321 HydrophobicContact CB-CD2 3.83Å; K319-W321 HydrophobicContact CB-CE3 4.1Å; K319-W321 HydrophobicContact CB-CG 4.46Å; K319-W321 HydrophobicContact CB-CH2 3.97Å; K319-W321 HydrophobicContact CB-CZ2 3.69Å; K319-W321 HydrophobicContact CB-CZ3 4.16Å; K319-W321 HydrophobicContact CD-CH2 3.54Å; K319-W321 HydrophobicContact CD-CZ2 3.72Å; K319-W321 HydrophobicContact CD-CZ3 4.21Å; K319-W321 HydrophobicContact CG-CH2 3.84Å; K319-W321 HydrophobicContact CG-CZ2 3.5Å; K319-W321 HydrophobicContact CG-CZ3 4.49Å; K319-W321 PolarHBondContact O-N 3.46Å | ||
| 320 | P | 83.8 | Confident | 76.2 | Confident | 38 Ų | 38 | 62.7 Ų | 62.7 | 25% | 0.247 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -71.6 | -23.9 | 178 | 27.1 | -33.8 | 0 | 0 | 0 | 113.1 | N87 | N87-P320 WeakPolarHBondContact O-CG 3.46Š|
| 321 | W | 80 | Confident | 74 | Confident | 106 Ų | 106 | 64.9 Ų | 64.9 | 40% | 0.402 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -88.5 | 156.3 | -175.6 | 59.2 | 88 | 0 | 0 | 0 | 114 | R45 K319 P341 | R45-W321 PolarHBondContact NH1-O 2.92Å; K319-W321 VanDerWaalsContact C-N 3.3Å; K319-W321 HydrophobicContact CB-CD2 3.83Å; K319-W321 HydrophobicContact CB-CE3 4.1Å; K319-W321 HydrophobicContact CB-CG 4.46Å; K319-W321 HydrophobicContact CB-CH2 3.97Å; K319-W321 HydrophobicContact CB-CZ2 3.69Å; K319-W321 HydrophobicContact CB-CZ3 4.16Å; K319-W321 HydrophobicContact CD-CH2 3.54Å; K319-W321 HydrophobicContact CD-CZ2 3.72Å; K319-W321 HydrophobicContact CD-CZ3 4.21Å; K319-W321 HydrophobicContact CG-CH2 3.84Å; K319-W321 HydrophobicContact CG-CZ2 3.5Å; K319-W321 HydrophobicContact CG-CZ3 4.49Å; K319-W321 PolarHBondContact O-N 3.46Å; W321-P341 HydrophobicContact CZ3-CB 4.15Å |
| 322 | R | 81.3 | Confident | 71.7 | Confident | 72 Ų | 72 | 66.7 Ų | 66.7 | 27% | 0.272 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 139.3 | 175.8 | -171.4 | 177.6 | -76 | -136.6 | 0.6 | 111.1 | L47 E49 F326 | L47-R322 HydrophobicContact CD1-CB 4.07Å; L47-R322 HydrophobicContact CD1-CG 4.06Å; E49-R322 IonicContact OE1-CZ 2.71Å; E49-R322 IonicContact OE1-NE 3.5Å; E49-R322 PolarHBondContact OE1-NE 2.94Å; E49-R322 IonicContact OE1-NH2 3.38Å; E49-R322 PolarHBondContact OE1-NH2 2.9Å; E49-R322 IonicContact OE2-CZ 3.59Å; E49-R322 IonicContact OE2-NE 2.73Å; E49-R322 IonicContact OE2-NH2 3.5Å; E49-R322 PolarHBondContact OE2-NH2 3.07Å; R322-F326 WeakPolarHBondContact CD-O 3.27Å; R322-F326 HydrophobicContact CG-CB 4.22Å |
| 323 | P | 76.3 | Confident | 69.2 | Low | 6 Ų | 6 | 65.7 Ų | 65.7 | 4% | 0.039 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 140.6 | 177.6 | -13 | 30 | 0 | 0 | 0 | 109.9 | F25 L313 N325 F326 | F25-P323 HydrophobicContact CD1-CG 4.39Å; F25-P323 HydrophobicContact CE1-CG 4.2Å; F25-P323 HydrophobicContact CZ-CG 4.45Å; L313-P323 HydrophobicContact CD1-CB 3.91Å; L313-P323 HydrophobicContact CD1-CG 3.88Å; P323-N325 PolarHBondContact O-N 3.49Å; P323-N325 VanDerWaalsContact O-N 3.08Å; P323-F326 HydrophobicContact CB-CD2 4.23Å; P323-F326 HydrophobicContact CG-CD2 4.35Å; P323-F326 PolarHBondContact O-N 3.08Å |
| 324 | A | 68.4 | Low | 66.8 | Low | 71 Ų | 71 | 68.6 Ų | 68.6 | 59% | 0.587 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -53.4 | -36.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | F326 N327 | A324-F326 PolarHBondContact O-N 3.03Å; A324-F326 VanDerWaalsContact O-N 3.1Å; A324-N327 WeakPolarHBondContact O-CB 3.4Å; A324-N327 PolarHBondContact O-N 2.62Å; A324-N327 VanDerWaalsContact O-N 3.17Å |
| 325 | N | 67.9 | Low | 64 | Low | 57 Ų | 57 | 74.4 Ų | 74.4 | 31% | 0.305 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -63.1 | -16.8 | 179.4 | -60.7 | 8.5 | 0 | 0 | 0 | 113.4 | V306 P323 | V306-N325 WeakPolarHBondContact CG1-ND2 3.49Å; V306-N325 HydrophobicContact CG2-CB 3.96Å; P323-N325 PolarHBondContact O-N 3.49Å; P323-N325 VanDerWaalsContact O-N 3.08Å |
| 326 | F | 67.2 | Low | 61.8 | Low | 19 Ų | 19 | 76 Ų | 76 | 8% | 0.083 | 41% | 0.407 | C | S | . | . | G | 310 helix | trans | -110.3 | 9 | -178.5 | -68.8 | -86.7 | 0 | 0 | 0 | 113.5 | F17 F25 L313 R322 P323 A324 S328 | F17-F326 HydrophobicContact CE1-CZ 4.13Å; F17-F326 HydrophobicContact CZ-CZ 4.11Å; F25-F326 HydrophobicContact CE1-CB 4.29Å; F25-F326 HydrophobicContact CE1-CD1 4Å; F25-F326 AromaticContact CE1-CD2 3.62Å; F25-F326 HydrophobicContact CE1-CD2 3.62Å; F25-F326 HydrophobicContact CE1-CE1 4.22Å; F25-F326 AromaticContact CE1-CE2 3.86Å; F25-F326 HydrophobicContact CE1-CE2 3.86Å; F25-F326 AromaticContact CE1-CG 3.69Å; F25-F326 HydrophobicContact CE1-CG 3.69Å; F25-F326 HydrophobicContact CE1-CZ 4.15Å; F25-F326 HydrophobicContact CZ-CB 3.99Å; F25-F326 HydrophobicContact CZ-CD1 4.24Å; F25-F326 HydrophobicContact CZ-CD2 4.18Å; F25-F326 AromaticContact CZ-CG 3.87Å; F25-F326 HydrophobicContact CZ-CG 3.87Å; L313-F326 HydrophobicContact CD1-CD2 4.08Å; L313-F326 HydrophobicContact CD1-CE2 3.56Å; L313-F326 HydrophobicContact CD2-CE2 4.1Å; L313-F326 HydrophobicContact CG-CE2 4.47Å; R322-F326 WeakPolarHBondContact CD-O 3.27Å; R322-F326 HydrophobicContact CG-CB 4.22Å; P323-F326 HydrophobicContact CB-CD2 4.23Å; P323-F326 HydrophobicContact CG-CD2 4.35Å; P323-F326 PolarHBondContact O-N 3.08Å; A324-F326 PolarHBondContact O-N 3.03Å; A324-F326 VanDerWaalsContact O-N 3.1Å; F326-S328 PolarHBondContact O-N 3.35Å |
| 327 | N | 58.5 | Low | 59.6 | Low | 62 Ų | 62 | 81.8 Ų | 81.8 | 33% | 0.332 | 44% | 0.437 | S | S | . | . | trans | -66.2 | 122.2 | 170.9 | -74.2 | -15.7 | 0 | 0 | 0 | 109.3 | A324 | A324-N327 WeakPolarHBondContact O-CB 3.4Å; A324-N327 PolarHBondContact O-N 2.62Å; A324-N327 VanDerWaalsContact O-N 3.17Å | ||
| 328 | S | 50.7 | Low | 57.5 | Low | 58 Ų | 58 | 86.1 Ų | 86.1 | 41% | 0.406 | 46% | 0.46 | S | S | . | . | trans | -58.7 | 148 | 172.6 | 177.9 | 0 | 0 | 0 | 0 | 109.5 | F326 M330 L331 Q332 | F326-S328 PolarHBondContact O-N 3.35Å; S328-M330 PolarHBondContact O-N 3.03Å; S328-M330 PolarHBondContact OG-N 3.25Å; S328-L331 WeakPolarHBondContact O-CA 3.32Å; S328-L331 PolarHBondContact O-N 2.84Å; S328-Q332 PolarHBondContact O-N 3.31Å; S328-Q332 VanDerWaalsContact O-N 3.15Å | ||
| 329 | K | 44 | Very low | 55.4 | Low | 182 Ų | 182 | 88.1 Ų | 88.1 | 79% | 0.791 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -52.3 | -26.4 | 168.2 | -69.9 | -172.8 | 176.3 | -172.6 | 0 | 112.2 | Q332 | K329-Q332 PolarHBondContact O-N 3.45Å |
| 330 | M | 35.3 | Very low | 53.4 | Low | 147 Ų | 147 | 89.6 Ų | 89.6 | 72% | 0.724 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -69.8 | -33.9 | 172.3 | -100.7 | -171.7 | 73.2 | 0 | 0 | 114 | S328 S333 A334 | S328-M330 PolarHBondContact O-N 3.03Å; S328-M330 PolarHBondContact OG-N 3.25Å; M330-S333 PolarHBondContact O-N 3.45Å; M330-S333 PolarHBondContact O-OG 2.98Å; M330-A334 PolarHBondContact O-N 2.77Å; M330-A334 VanDerWaalsContact O-N 3.15Å |
| 331 | L | 41 | Very low | 51.8 | Low | 87 Ų | 87 | 92.7 Ų | 92.7 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -77.4 | -24.9 | 174.3 | -97.4 | 93.2 | 0 | 0 | 0 | 111.9 | S328 S333 A334 | S328-L331 WeakPolarHBondContact O-CA 3.32Å; S328-L331 PolarHBondContact O-N 2.84Å; L331-S333 PolarHBondContact O-N 2.7Å; L331-A334 PolarHBondContact O-N 3.42Å; L331-A334 VanDerWaalsContact O-O 3.06Å |
| 332 | Q | 37.8 | Very low | 50.7 | Low | 148 Ų | 148 | 89.5 Ų | 89.5 | 69% | 0.692 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.2 | -23.2 | 170.7 | -69.6 | 177.2 | 0.9 | 0 | 0 | 112.4 | S328 K329 | S328-Q332 PolarHBondContact O-N 3.31Å; S328-Q332 VanDerWaalsContact O-N 3.15Å; K329-Q332 PolarHBondContact O-N 3.45Å |
| 333 | S | 33.9 | Very low | 50.1 | Low | 92 Ų | 92 | 89.4 Ų | 89.4 | 64% | 0.643 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -98.4 | -14.7 | 175.3 | 56.6 | 0 | 0 | 0 | 0 | 114.6 | M330 L331 | M330-S333 PolarHBondContact O-N 3.45Å; M330-S333 PolarHBondContact O-OG 2.98Å; L331-S333 PolarHBondContact O-N 2.7Å |
| 334 | A | 37.6 | Very low | 50.1 | Low | 62 Ų | 62 | 89.5 Ų | 89.5 | 51% | 0.512 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -87.1 | 117.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108 | M330 L331 | M330-A334 PolarHBondContact O-N 2.77Å; M330-A334 VanDerWaalsContact O-N 3.15Å; L331-A334 PolarHBondContact O-N 3.42Å; L331-A334 VanDerWaalsContact O-O 3.06Å |
| 335 | N | 32.6 | Very low | 50.7 | Low | 146 Ų | 146 | 87.8 Ų | 87.8 | 78% | 0.781 | 50% | 0.495 | S | S | * | . | trans | -42 | 142.9 | -176.9 | -71.3 | -32.8 | 0 | 0 | 0 | 113.9 | D337 | N335-D337 PolarHBondContact O-N 2.94Š| ||
| 336 | T | 41.8 | Very low | 51.4 | Low | 110 Ų | 110 | 87.3 Ų | 87.3 | 68% | 0.675 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -55.7 | 7.9 | -168.7 | 37.1 | 0 | 0 | 0 | 0 | 118.8 | S339 | T336-S339 PolarHBondContact O-N 2.66Å; T336-S339 PolarHBondContact O-OG 3.35Å |
| 337 | D | 42.3 | Very low | 52.2 | Low | 126 Ų | 126 | 88.8 Ų | 88.8 | 67% | 0.674 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -74.5 | -29.3 | -173.5 | -74.9 | -8.8 | 0 | 0 | 0 | 113.9 | N335 S339 | N335-D337 PolarHBondContact O-N 2.94Å; D337-S339 PolarHBondContact O-N 3.1Å |
| 338 | D | 47.2 | Very low | 53.6 | Low | 90 Ų | 90 | 85.9 Ų | 85.9 | 48% | 0.481 | 49% | 0.494 | S | S | . | . | G | 310 helix | trans | -79.8 | 5.1 | 177.7 | -76 | -38.5 | 0 | 0 | 0 | 112.8 | S346 | D338-S346 WeakPolarHBondContact OD1-CB 3.4Å; D338-S346 PolarHBondContact OD1-N 3.42Å; D338-S346 PolarHBondContact OD1-OG 3.07Å; D338-S346 PolarHBondContact OD2-OG 2.74Å |
| 339 | S | 46.2 | Very low | 55.4 | Low | 79 Ų | 79 | 88.3 Ų | 88.3 | 55% | 0.552 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -105.6 | -2.8 | -177 | 69.4 | 0 | 0 | 0 | 0 | 115.4 | T336 D337 | T336-S339 PolarHBondContact O-N 2.66Å; T336-S339 PolarHBondContact O-OG 3.35Å; D337-S339 PolarHBondContact O-N 3.1Å |
| 340 | E | 48.5 | Very low | 57.6 | Low | 123 Ų | 123 | 88.2 Ų | 88.2 | 58% | 0.575 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -73.1 | 134.3 | 177.3 | -76 | -165.8 | 156.2 | 0 | 0 | 112.4 | G342 N343 | E340-G342 PolarHBondContact O-N 2.84Å; E340-N343 PolarHBondContact O-N 3.15Å; E340-N343 PolarHBondContact OE2-ND2 3.32Å |
| 341 | P | 48.8 | Very low | 60.2 | Low | 103 Ų | 103 | 83.5 Ų | 83.5 | 67% | 0.669 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 123.1 | 171.4 | -19.9 | 30.2 | 0 | 0 | 0 | 111 | W321 | W321-P341 HydrophobicContact CZ3-CB 4.15Š|
| 342 | G | 56.9 | Low | 62.6 | Low | 39 Ų | 39 | 81.3 Ų | 81.3 | 40% | 0.402 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.8 | -1.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | E340 | E340-G342 PolarHBondContact O-N 2.84Š|
| 343 | N | 69.1 | Low | 65.2 | Low | 70 Ų | 70 | 75.2 Ų | 75.2 | 37% | 0.374 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -96.4 | 128.4 | 177.5 | -95.1 | -47.1 | 0 | 0 | 0 | 112.8 | E340 K349 | E340-N343 PolarHBondContact O-N 3.15Å; E340-N343 PolarHBondContact OE2-ND2 3.32Å; N343-K349 PolarHBondContact OD1-NZ 3.4Å |
| 344 | I | 76.4 | Confident | 68 | Low | 9 Ų | 9 | 74.5 Ų | 74.5 | 5% | 0.046 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 132.2 | 167.7 | -63.1 | 174.5 | 0 | 0 | 0 | 109.2 | L348 K349 E355 L358 | I344-L348 HydrophobicContact CG2-CB 3.46Å; I344-L348 VanDerWaalsContact CG2-CB 3.46Å; I344-L348 HydrophobicContact CG2-CD1 4.03Å; I344-L348 HydrophobicContact CG2-CG 4.4Å; I344-K349 HydrophobicContact CB-CG 4.17Å; I344-K349 HydrophobicContact CG2-CG 3.95Å; I344-K349 WeakPolarHBondContact O-CE 3.24Å; I344-E355 HydrophobicContact CD1-CB 4.28Å; I344-E355 HydrophobicContact CD1-CG 3.56Å; I344-E355 HydrophobicContact CG1-CG 4.03Å; I344-L358 HydrophobicContact CD1-CD1 3.78Å; I344-L358 HydrophobicContact CG1-CD1 4.01Å |
| 345 | P | 81.7 | Confident | 70.4 | Confident | 34 Ų | 34 | 75.4 Ų | 75.4 | 22% | 0.221 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -52.3 | 141.6 | 176.2 | -29.9 | 36.8 | 0 | 0 | 0 | 113.2 | S347 L348 K349 | P345-S347 PolarHBondContact O-N 2.82Å; P345-S347 VanDerWaalsContact O-N 3.11Å; P345-L348 WeakPolarHBondContact O-CB 3.19Å; P345-L348 PolarHBondContact O-N 3.42Å; P345-K349 PolarHBondContact O-N 3.32Å; P345-K349 VanDerWaalsContact O-N 3.07Å |
| 346 | S | 82.6 | Confident | 73.2 | Confident | 47 Ų | 47 | 74.7 Ų | 74.7 | 33% | 0.329 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -53.9 | -33.6 | -179.6 | 62.6 | 0 | 0 | 0 | 0 | 114 | D338 K349 K350 | D338-S346 WeakPolarHBondContact OD1-CB 3.4Å; D338-S346 PolarHBondContact OD1-N 3.42Å; D338-S346 PolarHBondContact OD1-OG 3.07Å; D338-S346 PolarHBondContact OD2-OG 2.74Å; S346-K349 PolarHBondContact O-N 3.32Å; S346-K350 VanDerWaalsContact O-CG 3.31Å; S346-K350 WeakPolarHBondContact O-CG 3.4Å; S346-K350 PolarHBondContact O-N 3.3Å |
| 347 | S | 83.9 | Confident | 75.7 | Confident | 51 Ų | 51 | 73.5 Ų | 73.5 | 36% | 0.357 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63 | -43 | 174.1 | 48.2 | 0 | 0 | 0 | 0 | 113.2 | E49 P345 K350 A351 | E49-S347 WeakPolarHBondContact O-CB 3.39Å; E49-S347 PolarHBondContact O-OG 3.15Å; P345-S347 PolarHBondContact O-N 2.82Å; P345-S347 VanDerWaalsContact O-N 3.11Å; S347-K350 PolarHBondContact O-N 3.12Å; S347-A351 PolarHBondContact O-N 3.01Å; S347-A351 VanDerWaalsContact O-N 3.08Å |
| 348 | L | 87.4 | Confident | 78.1 | Confident | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.005 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -68.8 | -41.5 | 175.8 | -82.8 | -166.8 | 0 | 0 | 0 | 111.5 | L48 S50 V54 I344 P345 K350 A351 G352 Y353 L358 | L48-L348 HydrophobicContact CB-CD1 3.97Å; L48-L348 WeakPolarHBondContact O-CD1 3.17Å; S50-L348 WeakPolarHBondContact O-CD2 3.48Å; V54-L348 HydrophobicContact CG2-CD1 4.31Å; V54-L348 HydrophobicContact CG2-CD2 3.9Å; I344-L348 HydrophobicContact CG2-CB 3.46Å; I344-L348 VanDerWaalsContact CG2-CB 3.46Å; I344-L348 HydrophobicContact CG2-CD1 4.03Å; I344-L348 HydrophobicContact CG2-CG 4.4Å; P345-L348 WeakPolarHBondContact O-CB 3.19Å; P345-L348 PolarHBondContact O-N 3.42Å; L348-K350 VanDerWaalsContact C-N 3.29Å; L348-K350 PolarHBondContact O-N 2.55Å; L348-A351 CarbonylContact O-C 3.47Å; L348-A351 WeakPolarHBondContact O-CA 3.49Å; L348-A351 PolarHBondContact O-N 3.2Å; L348-G352 PolarHBondContact O-N 3.28Å; L348-Y353 HydrophobicContact CB-CD2 4.39Å; L348-Y353 HydrophobicContact CD2-CD2 3.66Å; L348-Y353 HydrophobicContact CD2-CE2 3.98Å; L348-Y353 HydrophobicContact CD2-CG 4.21Å; L348-Y353 WeakPolarHBondContact O-CB 3.35Å; L348-Y353 PolarHBondContact O-N 3.01Å; L348-L358 HydrophobicContact CD1-CD1 4.44Å |
| 349 | K | 88.9 | Confident | 80.3 | Confident | 108 Ų | 108 | 66.6 Ų | 66.6 | 47% | 0.47 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -56.9 | -44.3 | 173.7 | -70.4 | 179.1 | 177.3 | 169.3 | 0 | 110.9 | N343 I344 P345 S346 A351 G352 | N343-K349 PolarHBondContact OD1-NZ 3.4Å; I344-K349 HydrophobicContact CB-CG 4.17Å; I344-K349 HydrophobicContact CG2-CG 3.95Å; I344-K349 WeakPolarHBondContact O-CE 3.24Å; P345-K349 PolarHBondContact O-N 3.32Å; P345-K349 VanDerWaalsContact O-N 3.07Å; S346-K349 PolarHBondContact O-N 3.32Å; K349-A351 VanDerWaalsContact C-N 3.3Å; K349-A351 PolarHBondContact O-N 3.37Å; K349-G352 WeakPolarHBondContact O-CA 3.38Å; K349-G352 PolarHBondContact O-N 3.23Å |
| 350 | K | 89.4 | Confident | 82.6 | Confident | 181 Ų | 181 | 68.9 Ų | 68.9 | 79% | 0.787 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -62.9 | -32.9 | 174.9 | -74.4 | 171.6 | -176.6 | 173.3 | 0 | 113.4 | S346 S347 L348 G352 | S346-K350 VanDerWaalsContact O-CG 3.31Å; S346-K350 WeakPolarHBondContact O-CG 3.4Å; S346-K350 PolarHBondContact O-N 3.3Å; S347-K350 PolarHBondContact O-N 3.12Å; L348-K350 VanDerWaalsContact C-N 3.29Å; L348-K350 PolarHBondContact O-N 2.55Å; K350-G352 PolarHBondContact O-N 2.73Å |
| 351 | A | 89.7 | Confident | 84.8 | Confident | 48 Ų | 48 | 66.3 Ų | 66.3 | 40% | 0.397 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | 4.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D51 S347 L348 K349 Y353 | D51-A351 HydrophobicContact CB-CB 4.24Å; S347-A351 PolarHBondContact O-N 3.01Å; S347-A351 VanDerWaalsContact O-N 3.08Å; L348-A351 CarbonylContact O-C 3.47Å; L348-A351 WeakPolarHBondContact O-CA 3.49Å; L348-A351 PolarHBondContact O-N 3.2Å; K349-A351 VanDerWaalsContact C-N 3.3Å; K349-A351 PolarHBondContact O-N 3.37Å; A351-Y353 HydrophobicContact CB-CD2 3.88Å; A351-Y353 HydrophobicContact CB-CE2 4.01Å |
| 352 | G | 92.4 | Very high | 87 | Confident | 41 Ų | 41 | 61.5 Ų | 61.5 | 42% | 0.423 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78 | 29.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L348 K349 K350 K357 | L348-G352 PolarHBondContact O-N 3.28Å; K349-G352 WeakPolarHBondContact O-CA 3.38Å; K349-G352 PolarHBondContact O-N 3.23Å; K350-G352 PolarHBondContact O-N 2.73Å; G352-K357 WeakPolarHBondContact O-CD 3.27Å; G352-K357 PolarHBondContact O-NZ 2.77Å |
| 353 | Y | 92.9 | Very high | 88.8 | Confident | 19 Ų | 19 | 64 Ų | 64 | 8% | 0.075 | 36% | 0.355 | C | S | . | . | trans | -89.3 | 133.1 | 168.8 | -70.3 | -87.8 | 0 | 0 | 0 | 110.9 | D51 V54 L348 A351 K357 L358 L361 | D51-Y353 HydrophobicContact CB-CE2 4.09Å; D51-Y353 VanDerWaalsContact OD1-CE2 3.29Å; D51-Y353 WeakPolarHBondContact OD1-CE2 3.47Å; D51-Y353 PolarHBondContact OD1-OH 3.03Å; V54-Y353 HydrophobicContact CB-CE1 4.36Å; V54-Y353 HydrophobicContact CG1-CE1 3.86Å; V54-Y353 HydrophobicContact CG2-CE1 4.32Å; L348-Y353 HydrophobicContact CB-CD2 4.39Å; L348-Y353 HydrophobicContact CD2-CD2 3.66Å; L348-Y353 HydrophobicContact CD2-CE2 3.98Å; L348-Y353 HydrophobicContact CD2-CG 4.21Å; L348-Y353 WeakPolarHBondContact O-CB 3.35Å; L348-Y353 PolarHBondContact O-N 3.01Å; A351-Y353 HydrophobicContact CB-CD2 3.88Å; A351-Y353 HydrophobicContact CB-CE2 4.01Å; Y353-K357 HydrophobicContact CD1-CD 4.37Å; Y353-K357 HydrophobicContact CD1-CG 4.5Å; Y353-L358 HydrophobicContact CD1-CD2 3.57Å; Y353-L358 HydrophobicContact CD1-CG 4.17Å; Y353-L358 HydrophobicContact CE1-CD2 4.14Å; Y353-L358 HydrophobicContact CG-CD2 4.3Å; Y353-L361 HydrophobicContact CD1-CD1 4.24Å; Y353-L361 HydrophobicContact CE1-CD1 3.65Å | ||
| 354 | T | 91.7 | Very high | 89.9 | Confident | 77 Ų | 77 | 64.8 Ų | 64.8 | 47% | 0.472 | 37% | 0.366 | S | S | . | . | trans | -117.6 | 167.5 | 169.3 | 61.6 | 0 | 0 | 0 | 0 | 109 | K357 L358 | T354-K357 PolarHBondContact O-N 3.02Å; T354-K357 VanDerWaalsContact OG1-CB 3.31Å; T354-K357 WeakPolarHBondContact OG1-CB 3.39Å; T354-K357 PolarHBondContact OG1-N 3.36Å; T354-L358 PolarHBondContact O-N 2.66Å | ||
| 355 | E | 88.3 | Confident | 90.9 | Very high | 82 Ų | 82 | 64.5 Ų | 64.5 | 38% | 0.383 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -56.9 | -53.8 | 177.1 | -74 | -174.9 | -155.3 | 0 | 0 | 110.7 | Y88 I344 K357 L358 D359 | Y88-E355 HydrophobicContact CE1-CB 4.14Å; Y88-E355 HydrophobicContact CE1-CG 4Å; Y88-E355 HydrophobicContact CE2-CG 4.35Å; Y88-E355 WeakPolarHBondContact OH-CB 3.3Å; Y88-E355 WeakPolarHBondContact OH-CG 3.19Å; Y88-E355 PolarHBondContact OH-OE2 3.19Å; I344-E355 HydrophobicContact CD1-CB 4.28Å; I344-E355 HydrophobicContact CD1-CG 3.56Å; I344-E355 HydrophobicContact CG1-CG 4.03Å; E355-K357 PolarHBondContact O-N 3.33Å; E355-L358 PolarHBondContact O-N 3.35Å; E355-D359 PolarHBondContact O-N 2.72Å |
| 356 | D | 91.7 | Very high | 91.5 | Very high | 131 Ų | 131 | 66.9 Ų | 66.9 | 70% | 0.701 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -55.4 | -37.8 | 176 | -59.1 | -30.5 | 0 | 0 | 0 | 113.2 | L360 | D356-L360 VanDerWaalsContact O-CB 3.26Å; D356-L360 WeakPolarHBondContact O-CB 3.2Å; D356-L360 PolarHBondContact O-N 3.47Å |
| 357 | K | 93.4 | Very high | 92.1 | Very high | 85 Ų | 85 | 65.5 Ų | 65.5 | 37% | 0.37 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -71.1 | -39.1 | 179.8 | -177.9 | 174.2 | 169.3 | -172 | 0 | 111.3 | G352 Y353 T354 E355 L361 | G352-K357 WeakPolarHBondContact O-CD 3.27Å; G352-K357 PolarHBondContact O-NZ 2.77Å; Y353-K357 HydrophobicContact CD1-CD 4.37Å; Y353-K357 HydrophobicContact CD1-CG 4.5Å; T354-K357 PolarHBondContact O-N 3.02Å; T354-K357 VanDerWaalsContact OG1-CB 3.31Å; T354-K357 WeakPolarHBondContact OG1-CB 3.39Å; T354-K357 PolarHBondContact OG1-N 3.36Å; E355-K357 PolarHBondContact O-N 3.33Å; K357-L361 HydrophobicContact CG-CD1 4.25Å; K357-L361 WeakPolarHBondContact O-CB 3.49Å; K357-L361 VanDerWaalsContact O-CG 3.23Å; K357-L361 WeakPolarHBondContact O-CG 3.05Å; K357-L361 PolarHBondContact O-N 3.23Å |
| 358 | L | 93.4 | Very high | 92.7 | Very high | 4 Ų | 4 | 64.8 Ų | 64.8 | 2% | 0.021 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66 | -47.2 | 174.2 | -71.4 | 173.1 | 0 | 0 | 0 | 110.3 | V54 W85 Y88 I344 L348 Y353 T354 E355 L360 L361 F362 | V54-L358 HydrophobicContact CG2-CD2 4.25Å; W85-L358 HydrophobicContact CH2-CB 4.34Å; W85-L358 HydrophobicContact CZ2-CB 4.09Å; Y88-L358 HydrophobicContact CD1-CD1 4.43Å; I344-L358 HydrophobicContact CD1-CD1 3.78Å; I344-L358 HydrophobicContact CG1-CD1 4.01Å; L348-L358 HydrophobicContact CD1-CD1 4.44Å; Y353-L358 HydrophobicContact CD1-CD2 3.57Å; Y353-L358 HydrophobicContact CD1-CG 4.17Å; Y353-L358 HydrophobicContact CE1-CD2 4.14Å; Y353-L358 HydrophobicContact CG-CD2 4.3Å; T354-L358 PolarHBondContact O-N 2.66Å; E355-L358 PolarHBondContact O-N 3.35Å; L358-L360 VanDerWaalsContact C-N 3.28Å; L358-L360 PolarHBondContact O-N 3.08Å; L358-L361 PolarHBondContact O-N 3.05Å; L358-L361 VanDerWaalsContact O-N 3.11Å; L358-F362 HydrophobicContact CD2-CE2 4.31Å; L358-F362 VanDerWaalsContact O-CD2 3.27Å; L358-F362 WeakPolarHBondContact O-CD2 3.42Å; L358-F362 PolarHBondContact O-N 2.89Å |
| 359 | D | 92.8 | Very high | 93 | Very high | 66 Ų | 66 | 65.2 Ų | 65.2 | 35% | 0.353 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.6 | -38.4 | 177.6 | -77.7 | -24.7 | 0 | 0 | 0 | 112.5 | W85 E355 F362 S363 | W85-D359 PolarHBondContact NE1-OD1 2.97Å; E355-D359 PolarHBondContact O-N 2.72Å; D359-F362 CarbonylContact O-C 3.47Å; D359-F362 PolarHBondContact O-N 3.09Å; D359-S363 WeakPolarHBondContact O-CA 3.36Å; D359-S363 WeakPolarHBondContact O-CB 3.33Å; D359-S363 PolarHBondContact O-N 3.15Å |
| 360 | L | 94.6 | Very high | 93.2 | Very high | 128 Ų | 128 | 62.9 Ų | 62.9 | 67% | 0.67 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -63.2 | -46.2 | 173.7 | -177.9 | 61.8 | 0 | 0 | 0 | 112 | D356 L358 F362 S363 | D356-L360 VanDerWaalsContact O-CB 3.26Å; D356-L360 WeakPolarHBondContact O-CB 3.2Å; D356-L360 PolarHBondContact O-N 3.47Å; L358-L360 VanDerWaalsContact C-N 3.28Å; L358-L360 PolarHBondContact O-N 3.08Å; L360-F362 VanDerWaalsContact C-N 3.29Å; L360-F362 PolarHBondContact O-N 2.63Å; L360-S363 WeakPolarHBondContact O-CB 3.4Å; L360-S363 PolarHBondContact O-N 3.49Å; L360-S363 PolarHBondContact O-OG 2.9Å |
| 361 | L | 95.2 | Very high | 93.3 | Very high | 69 Ų | 69 | 56.6 Ų | 56.6 | 36% | 0.361 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.5 | -33 | 179.1 | -75.5 | 170.8 | 0 | 0 | 0 | 112.8 | V54 L58 Y353 K357 L358 | V54-L361 HydrophobicContact CG1-CD1 4.43Å; L58-L361 HydrophobicContact CD1-CB 4.23Å; L58-L361 HydrophobicContact CD1-CD2 4.34Å; Y353-L361 HydrophobicContact CD1-CD1 4.24Å; Y353-L361 HydrophobicContact CE1-CD1 3.65Å; K357-L361 HydrophobicContact CG-CD1 4.25Å; K357-L361 WeakPolarHBondContact O-CB 3.49Å; K357-L361 VanDerWaalsContact O-CG 3.23Å; K357-L361 WeakPolarHBondContact O-CG 3.05Å; K357-L361 PolarHBondContact O-N 3.23Å; L358-L361 PolarHBondContact O-N 3.05Å; L358-L361 VanDerWaalsContact O-N 3.11Å |
| 362 | F | 95.4 | Very high | 93.3 | Very high | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.009 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 10.3 | -178.8 | -73.1 | -105.2 | 0 | 0 | 0 | 113.1 | L48 V54 V57 L58 W85 L358 D359 L360 S364 F365 | L48-F362 HydrophobicContact CD1-CE2 4.12Å; L48-F362 HydrophobicContact CD1-CZ 3.83Å; L48-F362 HydrophobicContact CD2-CZ 4.22Å; V54-F362 HydrophobicContact CG1-CE2 4.11Å; V54-F362 HydrophobicContact CG1-CZ 4.5Å; V57-F362 HydrophobicContact CG1-CE1 3.83Å; V57-F362 HydrophobicContact CG1-CZ 3.53Å; L58-F362 HydrophobicContact CD1-CE2 4.44Å; L58-F362 HydrophobicContact CD2-CD1 4.21Å; L58-F362 HydrophobicContact CD2-CD2 4.17Å; L58-F362 HydrophobicContact CD2-CE1 4.04Å; L58-F362 HydrophobicContact CD2-CE2 4.02Å; L58-F362 HydrophobicContact CD2-CG 4.27Å; L58-F362 HydrophobicContact CD2-CZ 3.95Å; L58-F362 HydrophobicContact CG-CE2 4.28Å; L58-F362 HydrophobicContact CG-CZ 4.16Å; W85-F362 HydrophobicContact CB-CB 4.22Å; W85-F362 HydrophobicContact CB-CD1 4.44Å; W85-F362 HydrophobicContact CD2-CB 3.52Å; W85-F362 AromaticContact CD2-CD1 3.74Å; W85-F362 HydrophobicContact CD2-CD1 3.74Å; W85-F362 AromaticContact CD2-CG 3.71Å; W85-F362 HydrophobicContact CD2-CG 3.71Å; W85-F362 AromaticContact CE2-CG 3.95Å; W85-F362 HydrophobicContact CE3-CB 4.15Å; W85-F362 AromaticContact CE3-CD1 3.46Å; W85-F362 HydrophobicContact CE3-CD1 3.46Å; W85-F362 VanDerWaalsContact CE3-CD1 3.46Å; W85-F362 AromaticContact CE3-CE1 3.94Å; W85-F362 HydrophobicContact CE3-CE1 3.94Å; W85-F362 AromaticContact CE3-CG 3.81Å; W85-F362 HydrophobicContact CE3-CG 3.81Å; W85-F362 HydrophobicContact CG-CB 3.56Å; W85-F362 HydrophobicContact CG-CD1 4.21Å; W85-F362 HydrophobicContact CG-CG 4.19Å; W85-F362 HydrophobicContact CH2-CD1 4.5Å; W85-F362 HydrophobicContact CH2-CD2 4.21Å; W85-F362 HydrophobicContact CH2-CE2 4.43Å; W85-F362 HydrophobicContact CH2-CG 4.24Å; W85-F362 HydrophobicContact CZ2-CB 4.22Å; W85-F362 HydrophobicContact CZ2-CD2 4.31Å; W85-F362 HydrophobicContact CZ2-CG 4.21Å; W85-F362 AromaticContact CZ3-CD1 3.89Å; W85-F362 HydrophobicContact CZ3-CD1 3.89Å; W85-F362 HydrophobicContact CZ3-CD2 4.36Å; W85-F362 HydrophobicContact CZ3-CE1 4.02Å; W85-F362 HydrophobicContact CZ3-CE2 4.45Å; W85-F362 HydrophobicContact CZ3-CG 4.09Å; W85-F362 HydrophobicContact CZ3-CZ 4.29Å; L358-F362 HydrophobicContact CD2-CE2 4.31Å; L358-F362 VanDerWaalsContact O-CD2 3.27Å; L358-F362 WeakPolarHBondContact O-CD2 3.42Å; L358-F362 PolarHBondContact O-N 2.89Å; D359-F362 CarbonylContact O-C 3.47Å; D359-F362 PolarHBondContact O-N 3.09Å; L360-F362 VanDerWaalsContact C-N 3.29Å; L360-F362 PolarHBondContact O-N 2.63Å; F362-S364 VanDerWaalsContact C-N 3.25Å; F362-S364 PolarHBondContact O-N 3.43Å; F362-S364 VanDerWaalsContact O-N 3.17Å; F362-F365 HydrophobicContact CB-CB 3.97Å; F362-F365 HydrophobicContact CD1-CB 3.97Å; F362-F365 HydrophobicContact CD1-CD1 4.28Å; F362-F365 AromaticContact CD1-CD2 3.28Å; F362-F365 HydrophobicContact CD1-CD2 3.28Å; F362-F365 AromaticContact CD1-CE2 3.69Å; F362-F365 HydrophobicContact CD1-CE2 3.69Å; F362-F365 AromaticContact CD1-CG 3.6Å; F362-F365 HydrophobicContact CD1-CG 3.6Å; F362-F365 HydrophobicContact CD1-CZ 4.31Å; F362-F365 AromaticContact CE1-CD2 3.65Å; F362-F365 HydrophobicContact CE1-CD2 3.65Å; F362-F365 AromaticContact CE1-CE2 3.56Å; F362-F365 HydrophobicContact CE1-CE2 3.56Å; F362-F365 HydrophobicContact CE1-CG 4.33Å; F362-F365 HydrophobicContact CE1-CZ 4.15Å; F362-F365 HydrophobicContact CG-CB 4.42Å; F362-F365 HydrophobicContact CG-CD2 4.29Å; F362-F365 HydrophobicContact CG-CG 4.5Å; F362-F365 WeakPolarHBondContact O-CB 3.35Å; F362-F365 PolarHBondContact O-N 3.43Å |
| 363 | S | 94 | Very high | 92.8 | Very high | 91 Ų | 91 | 58.7 Ų | 58.7 | 64% | 0.636 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -31.9 | -176.1 | 56.2 | 0 | 0 | 0 | 0 | 114.3 | D359 L360 | D359-S363 WeakPolarHBondContact O-CA 3.36Å; D359-S363 WeakPolarHBondContact O-CB 3.33Å; D359-S363 PolarHBondContact O-N 3.15Å; L360-S363 WeakPolarHBondContact O-CB 3.4Å; L360-S363 PolarHBondContact O-N 3.49Å; L360-S363 PolarHBondContact O-OG 2.9Å |
| 364 | S | 92.8 | Very high | 91.4 | Very high | 87 Ų | 87 | 61.4 Ų | 61.4 | 61% | 0.608 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | 13.2 | 174.4 | 62.3 | 0 | 0 | 0 | 0 | 113.7 | R61 F362 N366 | R61-S364 PolarHBondContact NH2-O 3.05Å; F362-S364 VanDerWaalsContact C-N 3.25Å; F362-S364 PolarHBondContact O-N 3.43Å; F362-S364 VanDerWaalsContact O-N 3.17Å; S364-N366 PolarHBondContact O-N 2.96Å |
| 365 | F | 95.9 | Very high | 89.2 | Confident | 3 Ų | 3 | 62.5 Ų | 62.5 | 1% | 0.013 | 36% | 0.36 | C | S | . | . | trans | -69.8 | -34.6 | -174.2 | -165.9 | -91.4 | 0 | 0 | 0 | 112.5 | V57 L58 R61 S83 M84 W85 F92 F362 F367 | V57-F365 HydrophobicContact CG2-CE2 3.83Å; V57-F365 HydrophobicContact CG2-CZ 3.81Å; L58-F365 HydrophobicContact CD2-CD2 4.4Å; R61-F365 HydrophobicContact CB-CD2 4.18Å; R61-F365 HydrophobicContact CB-CE2 3.76Å; R61-F365 HydrophobicContact CG-CD2 3.7Å; R61-F365 HydrophobicContact CG-CE2 3.73Å; R61-F365 HydrophobicContact CG-CG 4.41Å; R61-F365 HydrophobicContact CG-CZ 4.48Å; R61-F365 PolarHBondContact NE-O 3.4Å; S83-F365 WeakPolarHBondContact CB-O 3.31Å; S83-F365 PolarHBondContact OG-O 3.18Å; M84-F365 WeakPolarHBondContact O-CD1 3.26Å; M84-F365 WeakPolarHBondContact O-CE1 3.49Å; W85-F365 HydrophobicContact CB-CB 3.85Å; W85-F365 HydrophobicContact CB-CD1 3.73Å; W85-F365 HydrophobicContact CB-CG 4.05Å; F92-F365 HydrophobicContact CD1-CE1 4.34Å; F92-F365 HydrophobicContact CD1-CZ 4.01Å; F92-F365 AromaticContact CE1-CE1 3.98Å; F92-F365 HydrophobicContact CE1-CE1 3.98Å; F92-F365 AromaticContact CE1-CE2 3.83Å; F92-F365 HydrophobicContact CE1-CE2 3.83Å; F92-F365 AromaticContact CE1-CZ 3.27Å; F92-F365 HydrophobicContact CE1-CZ 3.27Å; F92-F365 HydrophobicContact CZ-CE2 4.36Å; F92-F365 HydrophobicContact CZ-CZ 4.06Å; F362-F365 HydrophobicContact CB-CB 3.97Å; F362-F365 HydrophobicContact CD1-CB 3.97Å; F362-F365 HydrophobicContact CD1-CD1 4.28Å; F362-F365 AromaticContact CD1-CD2 3.28Å; F362-F365 HydrophobicContact CD1-CD2 3.28Å; F362-F365 AromaticContact CD1-CE2 3.69Å; F362-F365 HydrophobicContact CD1-CE2 3.69Å; F362-F365 AromaticContact CD1-CG 3.6Å; F362-F365 HydrophobicContact CD1-CG 3.6Å; F362-F365 HydrophobicContact CD1-CZ 4.31Å; F362-F365 AromaticContact CE1-CD2 3.65Å; F362-F365 HydrophobicContact CE1-CD2 3.65Å; F362-F365 AromaticContact CE1-CE2 3.56Å; F362-F365 HydrophobicContact CE1-CE2 3.56Å; F362-F365 HydrophobicContact CE1-CG 4.33Å; F362-F365 HydrophobicContact CE1-CZ 4.15Å; F362-F365 HydrophobicContact CG-CB 4.42Å; F362-F365 HydrophobicContact CG-CD2 4.29Å; F362-F365 HydrophobicContact CG-CG 4.5Å; F362-F365 WeakPolarHBondContact O-CB 3.35Å; F362-F365 PolarHBondContact O-N 3.43Å; F365-F367 PolarHBondContact O-N 3.03Å | ||
| 366 | N | 95.5 | Very high | 87.3 | Confident | 83 Ų | 83 | 65.4 Ų | 65.4 | 44% | 0.444 | 38% | 0.383 | S | S | . | . | trans | -64.2 | 127.9 | 178.9 | -72.3 | -23.4 | 0 | 0 | 0 | 110.9 | S83 M84 W85 S364 | S83-N366 VanDerWaalsContact O-CA 3.3Å; S83-N366 WeakPolarHBondContact O-CA 3.47Å; M84-N366 VanDerWaalsContact CA-OD1 3.27Å; M84-N366 WeakPolarHBondContact CA-OD1 3.46Å; W85-N366 PolarHBondContact N-OD1 2.82Å; S364-N366 PolarHBondContact O-N 2.96Å | ||
| 367 | F | 95.5 | Very high | 85 | Confident | 18 Ų | 18 | 63.3 Ų | 63.3 | 8% | 0.079 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 146.5 | -175.3 | -176.9 | -101.5 | 0 | 0 | 0 | 111.3 | E65 A68 L69 L80 Y82 S83 F365 H369 | E65-F367 HydrophobicContact CB-CE2 4.47Å; E65-F367 HydrophobicContact CG-CD2 4.2Å; E65-F367 HydrophobicContact CG-CE2 3.86Å; E65-F367 HydrophobicContact CG-CZ 4.42Å; E65-F367 WeakPolarHBondContact OE1-CD2 3.43Å; A68-F367 HydrophobicContact CB-CE1 3.74Å; A68-F367 HydrophobicContact CB-CZ 3.63Å; L69-F367 HydrophobicContact CD2-CE2 4.3Å; L69-F367 HydrophobicContact CD2-CZ 4.39Å; L80-F367 HydrophobicContact CD2-CD1 3.82Å; L80-F367 HydrophobicContact CD2-CE1 4.24Å; L80-F367 HydrophobicContact CD2-CG 4.45Å; L80-F367 HydrophobicContact CG-CD1 4.1Å; L80-F367 HydrophobicContact CG-CE1 4.42Å; Y82-F367 VanDerWaalsContact CA-O 3.26Å; Y82-F367 WeakPolarHBondContact CA-O 3.48Å; S83-F367 PolarHBondContact N-O 3.41Å; S83-F367 PolarHBondContact O-N 2.8Å; S83-F367 WeakPolarHBondContact OG-CB 3.4Å; S83-F367 PolarHBondContact OG-N 3.38Å; F365-F367 PolarHBondContact O-N 3.03Å; F367-H369 VanDerWaalsContact CE1-CA 3.49Å; F367-H369 HydrophobicContact CE1-CB 4.18Å |
| 368 | I | 95 | Very high | 82.3 | Confident | 37 Ų | 37 | 66.9 Ų | 66.9 | 19% | 0.19 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 128.2 | 167.9 | -55 | -179.9 | 0 | 0 | 0 | 106.6 | P7 Y82 L372 Q373 | P7-I368 HydrophobicContact CG-CG1 4.27Å; Y82-I368 HydrophobicContact CD1-CB 4.3Å; Y82-I368 HydrophobicContact CD1-CG1 4.01Å; Y82-I368 HydrophobicContact CD1-CG2 4.04Å; Y82-I368 HydrophobicContact CE1-CB 4.42Å; Y82-I368 HydrophobicContact CE1-CG1 4.28Å; Y82-I368 HydrophobicContact CE1-CG2 3.7Å; I368-L372 HydrophobicContact CG2-CB 4.01Å; I368-Q373 HydrophobicContact CB-CG 3.9Å; I368-Q373 HydrophobicContact CG2-CG 3.63Å; I368-Q373 PolarHBondContact O-NE2 3.46Å |
| 369 | H | 95 | Very high | 79.4 | Confident | 10 Ų | 10 | 72.5 Ų | 72.5 | 5% | 0.046 | 44% | 0.442 | C | S | . | . | trans | -57.3 | 137.8 | 177.5 | -170.7 | -85.4 | 0 | 0 | 0 | 111.2 | A68 Q73 L80 C81 F367 S371 L372 Q373 | A68-H369 PolarHBondContact O-NE2 2.83Å; Q73-H369 PolarHBondContact NE2-NE2 3.16Å; L80-H369 WeakPolarHBondContact O-CB 2.98Å; L80-H369 PolarHBondContact O-CD2 3.07Å; L80-H369 VanDerWaalsContact O-CD2 3.24Å; C81-H369 WeakPolarHBondContact O-CB 3.37Å; C81-H369 PolarHBondContact O-N 3.17Å; F367-H369 VanDerWaalsContact CE1-CA 3.49Å; F367-H369 HydrophobicContact CE1-CB 4.18Å; H369-S371 PolarHBondContact CE1-OG 3.36Å; H369-S371 WeakPolarHBondContact ND1-CB 3.46Å; H369-S371 PolarHBondContact ND1-N 3.09Å; H369-S371 VanDerWaalsContact ND1-N 3.16Å; H369-S371 PolarHBondContact ND1-OG 3.4Å; H369-S371 PolarHBondContact O-N 3.23Å; H369-S371 VanDerWaalsContact O-N 3.13Å; H369-L372 HydrophobicContact CB-CD1 4.08Å; H369-L372 HydrophobicContact CB-CG 4.25Å; H369-L372 WeakPolarHBondContact O-CA 3.39Å; H369-L372 WeakPolarHBondContact O-CB 3.27Å; H369-L372 PolarHBondContact O-N 3.15Å; H369-Q373 PolarHBondContact O-N 2.58Å | ||
| 370 | P | 92.9 | Very high | 76.9 | Confident | 58 Ų | 58 | 75.9 Ų | 75.9 | 38% | 0.377 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -52.5 | -39.2 | -177.4 | -29.4 | 34.7 | 0 | 0 | 0 | 114.3 | L69 L372 Q373 | L69-P370 HydrophobicContact CD2-CG 3.76Å; P370-L372 PolarHBondContact O-N 2.72Å; P370-L372 VanDerWaalsContact O-N 3.16Å; P370-Q373 PolarHBondContact O-N 3.41Å; P370-Q373 VanDerWaalsContact O-N 3.15Å |
| 371 | S | 90.3 | Very high | 74.5 | Confident | 49 Ų | 49 | 76 Ų | 76 | 34% | 0.343 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.1 | -14.8 | 177.2 | 74.5 | 0 | 0 | 0 | 0 | 114.6 | H369 | H369-S371 PolarHBondContact CE1-OG 3.36Å; H369-S371 WeakPolarHBondContact ND1-CB 3.46Å; H369-S371 PolarHBondContact ND1-N 3.09Å; H369-S371 VanDerWaalsContact ND1-N 3.16Å; H369-S371 PolarHBondContact ND1-OG 3.4Å; H369-S371 PolarHBondContact O-N 3.23Å; H369-S371 VanDerWaalsContact O-N 3.13Å |
| 372 | L | 90 | Very high | 71.7 | Confident | 21 Ų | 21 | 77.2 Ų | 77.2 | 11% | 0.11 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -103.4 | -9.9 | 178.2 | -59 | 175.1 | 0 | 0 | 0 | 112 | D36 C81 Y82 I368 H369 P370 A374 L388 | D36-L372 HydrophobicContact CB-CD2 4.11Å; C81-L372 HydrophobicContact CB-CD1 3.63Å; Y82-L372 HydrophobicContact CD2-CD1 4.46Å; Y82-L372 HydrophobicContact CE1-CD1 4.37Å; Y82-L372 HydrophobicContact CE2-CD1 3.71Å; I368-L372 HydrophobicContact CG2-CB 4.01Å; H369-L372 HydrophobicContact CB-CD1 4.08Å; H369-L372 HydrophobicContact CB-CG 4.25Å; H369-L372 WeakPolarHBondContact O-CA 3.39Å; H369-L372 WeakPolarHBondContact O-CB 3.27Å; H369-L372 PolarHBondContact O-N 3.15Å; P370-L372 PolarHBondContact O-N 2.72Å; P370-L372 VanDerWaalsContact O-N 3.16Å; L372-A374 VanDerWaalsContact C-N 3.31Å; L372-L388 HydrophobicContact CD2-CD1 4.28Å |
| 373 | Q | 82 | Confident | 69 | Low | 113 Ų | 113 | 81.4 Ų | 81.4 | 53% | 0.528 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -79.4 | -15.7 | 174.1 | -64.1 | -177.9 | 6.7 | 0 | 0 | 112.4 | I368 H369 P370 S375 | I368-Q373 HydrophobicContact CB-CG 3.9Å; I368-Q373 HydrophobicContact CG2-CG 3.63Å; I368-Q373 PolarHBondContact O-NE2 3.46Å; H369-Q373 PolarHBondContact O-N 2.58Å; P370-Q373 PolarHBondContact O-N 3.41Å; P370-Q373 VanDerWaalsContact O-N 3.15Å; Q373-S375 VanDerWaalsContact C-N 3.29Å; Q373-S375 PolarHBondContact O-N 2.96Å |
| 374 | A | 63.5 | Low | 66.4 | Low | 76 Ų | 76 | 80.2 Ų | 80.2 | 63% | 0.628 | 49% | 0.489 | S | S | * | . | trans | -69.1 | 81.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L372 | L372-A374 VanDerWaalsContact C-N 3.31Š| ||
| 375 | S | 46.4 | Very low | 63.9 | Low | 99 Ų | 99 | 78.7 Ų | 78.7 | 69% | 0.692 | 47% | 0.473 | S | S | * | . | trans | -115.3 | 120.6 | 143.7 | 60.5 | 0 | 0 | 0 | 0 | 103.8 | Q373 | Q373-S375 VanDerWaalsContact C-N 3.29Å; Q373-S375 PolarHBondContact O-N 2.96Å | ||
| 376 | V | 48 | Very low | 61.3 | Low | 144 Ų | 144 | 81 Ų | 81 | 87% | 0.873 | 49% | 0.489 | S | S | * | . | S | Bend | -173.6 | 7 | 82.6 | 159.2 | 0 | 0 | 0 | 0 | 111.9 | |||
| 377 | A | 43.9 | Very low | 58.8 | Low | 87 Ų | 87 | 84.2 Ų | 84.2 | 72% | 0.719 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -114.9 | -28.8 | -171.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||
| 378 | D | 36.6 | Very low | 56.1 | Low | 160 Ų | 160 | 85 Ų | 85 | 86% | 0.856 | 50% | 0.504 | S | S | * | . | trans | -122.1 | 99.6 | -171.7 | -69.3 | -43.5 | 0 | 0 | 0 | 112.7 | D380 | D378-D380 PolarHBondContact O-N 3.43Å; D378-D380 VanDerWaalsContact O-N 3.1Å | ||
| 379 | T | 33 | Very low | 53.3 | Low | 121 Ų | 121 | 86.4 Ų | 86.4 | 74% | 0.742 | 52% | 0.515 | S | S | * | . | trans | -67.5 | 91.8 | 161.1 | 37.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 380 | D | 38.6 | Very low | 50.5 | Low | 138 Ų | 138 | 93.4 Ų | 93.4 | 74% | 0.738 | 55% | 0.549 | S | S | * | . | trans | -143.5 | 91.7 | 148.3 | -101.6 | -27.4 | 0 | 0 | 0 | 108.7 | D378 S382 | D378-D380 PolarHBondContact O-N 3.43Å; D378-D380 VanDerWaalsContact O-N 3.1Å; D380-S382 VanDerWaalsContact C-N 3.32Å; D380-S382 PolarHBondContact O-N 2.73Å | ||
| 381 | I | 44.9 | Very low | 47.4 | Very low | 131 Ų | 131 | 99.3 Ų | 99.3 | 67% | 0.672 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -7.1 | -155 | -67.5 | 170.4 | 0 | 0 | 0 | 113.5 | ||
| 382 | S | 36.8 | Very low | 44.5 | Very low | 94 Ų | 94 | 103.6 Ų | 103.6 | 66% | 0.657 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -31.8 | -174.1 | 178.6 | 0 | 0 | 0 | 0 | 114.2 | D380 S386 | D380-S382 VanDerWaalsContact C-N 3.32Å; D380-S382 PolarHBondContact O-N 2.73Å; S382-S386 PolarHBondContact O-OG 3.03Å |
| 383 | D | 39 | Very low | 41.6 | Very low | 89 Ų | 89 | 109.7 Ų | 109.7 | 48% | 0.476 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -96.7 | -25.3 | -159.2 | -122 | 28.5 | 0 | 0 | 0 | 114.7 | S386 K387 | D383-S386 WeakPolarHBondContact CA-OG 3.49Å; D383-S386 PolarHBondContact O-OG 3.03Å; D383-K387 WeakPolarHBondContact O-CB 3.23Å; D383-K387 WeakPolarHBondContact O-CD 3.29Å; D383-K387 VanDerWaalsContact O-CG 3.25Å; D383-K387 WeakPolarHBondContact O-CG 3.43Å; D383-K387 PolarHBondContact O-N 2.95Å; D383-K387 VanDerWaalsContact O-N 3.14Å |
| 384 | S | 40 | Very low | 39 | Very low | 67 Ų | 67 | 110.3 Ų | 110.3 | 47% | 0.469 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -76 | -35.5 | 177.9 | -61.4 | 0 | 0 | 0 | 0 | 111.9 | L388 | S384-L388 WeakPolarHBondContact O-CG 3.06Å; S384-L388 PolarHBondContact O-N 3.37Å |
| 385 | L | 39.2 | Very low | 37.4 | Very low | 54 Ų | 54 | 112.8 Ų | 112.8 | 28% | 0.283 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -73.8 | -33.5 | 174.3 | -92.5 | 156.1 | 0 | 0 | 0 | 111.9 | F35 K387 L388 T389 | F35-L385 HydrophobicContact CE1-CD1 4.1Å; F35-L385 HydrophobicContact CE1-CG 3.98Å; F35-L385 HydrophobicContact CZ-CD1 3.87Å; F35-L385 HydrophobicContact CZ-CG 4.13Å; L385-K387 VanDerWaalsContact C-N 3.34Å; L385-L388 CarbonylContact O-C 3.43Å; L385-L388 PolarHBondContact O-N 3.26Å; L385-T389 WeakPolarHBondContact O-CA 3.48Å; L385-T389 WeakPolarHBondContact O-CB 3.46Å; L385-T389 PolarHBondContact O-N 2.86Å; L385-T389 PolarHBondContact O-OG1 3.1Å |
| 386 | S | 40.9 | Very low | 36.4 | Very low | 51 Ų | 51 | 114.4 Ų | 114.4 | 36% | 0.357 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -69.2 | -31.8 | 172.8 | 64 | 0 | 0 | 0 | 0 | 112.3 | S382 D383 T389 M390 | S382-S386 PolarHBondContact O-OG 3.03Å; D383-S386 WeakPolarHBondContact CA-OG 3.49Å; D383-S386 PolarHBondContact O-OG 3.03Å; S386-T389 CarbonylContact C-O 3.48Å; S386-T389 WeakPolarHBondContact CA-O 3.17Å; S386-T389 CarbonylContact O-C 3.53Å; S386-T389 VanDerWaalsContact O-C 3.24Å; S386-M390 PolarHBondContact O-N 2.89Å |
| 387 | K | 43 | Very low | 35.3 | Very low | 152 Ų | 152 | 115.2 Ų | 115.2 | 66% | 0.661 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -69.7 | -31 | 169.5 | -73.1 | 169.4 | -173 | 168.5 | 0 | 113 | D383 L385 | D383-K387 WeakPolarHBondContact O-CB 3.23Å; D383-K387 WeakPolarHBondContact O-CD 3.29Å; D383-K387 VanDerWaalsContact O-CG 3.25Å; D383-K387 WeakPolarHBondContact O-CG 3.43Å; D383-K387 PolarHBondContact O-N 2.95Å; D383-K387 VanDerWaalsContact O-N 3.14Å; L385-K387 VanDerWaalsContact C-N 3.34Å |
| 388 | L | 40.3 | Very low | 34.5 | Very low | 34 Ų | 34 | 117.4 Ų | 117.4 | 18% | 0.178 | 66% | 0.656 | C | S | . | * | H | α-helix | trans | -82.9 | -37 | 175.4 | -75.8 | 164 | 0 | 0 | 0 | 112.7 | R95 L372 S384 L385 | R95-L388 VanDerWaalsContact CZ-O 3.26Å; R95-L388 PolarHBondContact NH1-O 3.05Å; R95-L388 PolarHBondContact NH2-O 3.49Å; R95-L388 VanDerWaalsContact NH2-O 3.15Å; L372-L388 HydrophobicContact CD2-CD1 4.28Å; S384-L388 WeakPolarHBondContact O-CG 3.06Å; S384-L388 PolarHBondContact O-N 3.37Å; L385-L388 CarbonylContact O-C 3.43Å; L385-L388 PolarHBondContact O-N 3.26Å |
| 389 | T | 35.5 | Very low | 34.1 | Very low | 67 Ų | 67 | 115.3 Ų | 115.3 | 41% | 0.411 | 65% | 0.653 | S | S | . | * | S | Bend | trans | -123.6 | 92.7 | -179.6 | 59.5 | 0 | 0 | 0 | 0 | 107.8 | L385 S386 K391 | L385-T389 WeakPolarHBondContact O-CA 3.48Å; L385-T389 WeakPolarHBondContact O-CB 3.46Å; L385-T389 PolarHBondContact O-N 2.86Å; L385-T389 PolarHBondContact O-OG1 3.1Å; S386-T389 CarbonylContact C-O 3.48Å; S386-T389 WeakPolarHBondContact CA-O 3.17Å; S386-T389 CarbonylContact O-C 3.53Å; S386-T389 VanDerWaalsContact O-C 3.24Å; T389-K391 VanDerWaalsContact C-N 3.29Å; T389-K391 PolarHBondContact O-N 3.17Å |
| 390 | M | 35.7 | Very low | 33.8 | Very low | 156 Ų | 156 | 114.9 Ų | 114.9 | 77% | 0.768 | 65% | 0.65 | S | S | * | * | trans | -62.1 | 97.6 | 170 | -65 | -160.7 | 88.3 | 0 | 0 | 107.7 | S386 L392 | S386-M390 PolarHBondContact O-N 2.89Å; M390-L392 PolarHBondContact O-N 3.36Å | ||
| 391 | K | 27.5 | Very low | 33.4 | Very low | 182 Ų | 182 | 115.9 Ų | 115.9 | 79% | 0.791 | 66% | 0.656 | S | S | * | * | trans | -71.3 | 121.8 | 163.6 | -86.7 | -176.8 | 175.1 | 176.9 | 0 | 106.8 | T389 D393 | T389-K391 VanDerWaalsContact C-N 3.29Å; T389-K391 PolarHBondContact O-N 3.17Å; K391-D393 PolarHBondContact O-N 2.93Å; K391-D393 VanDerWaalsContact O-N 3.07Å | ||
| 392 | L | 30.8 | Very low | 32.3 | Very low | 139 Ų | 139 | 116.8 Ų | 116.8 | 73% | 0.728 | 66% | 0.662 | S | S | * | * | trans | -62.4 | 104.6 | 166.3 | -79.4 | 88.8 | 0 | 0 | 0 | 108.2 | D151 M390 T394 | D151-L392 HydrophobicContact CB-CD1 4.45Å; M390-L392 PolarHBondContact O-N 3.36Å; L392-T394 PolarHBondContact O-N 3.47Å | ||
| 393 | D | 27.6 | Very low | 32 | Very low | 150 Ų | 150 | 119.8 Ų | 119.8 | 80% | 0.802 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 123.9 | 156.1 | -77.3 | -30.1 | 0 | 0 | 0 | 107.7 | K391 | K391-D393 PolarHBondContact O-N 2.93Å; K391-D393 VanDerWaalsContact O-N 3.07Å |
| 394 | T | 27.7 | Very low | 31.4 | Very low | 125 Ų | 125 | 121.1 Ų | 121.1 | 77% | 0.767 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 127.1 | 176.6 | 31.7 | 0 | 0 | 0 | 0 | 108.7 | L392 T396 | L392-T394 PolarHBondContact O-N 3.47Å; T394-T396 PolarHBondContact O-N 2.91Å; T394-T396 VanDerWaalsContact O-N 3.12Å |
| 395 | P | 30.5 | Very low | 30.6 | Very low | 129 Ų | 129 | 125.2 Ų | 125.2 | 84% | 0.838 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 116.5 | -178.5 | -15.5 | 28.6 | 0 | 0 | 0 | 110.2 | ||
| 396 | T | 24.3 | Very low | 30.1 | Very low | 133 Ų | 133 | 129.4 Ų | 129.4 | 82% | 0.816 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 133.9 | 159.3 | 34.4 | 0 | 0 | 0 | 0 | 108.7 | T394 | T394-T396 PolarHBondContact O-N 2.91Å; T394-T396 VanDerWaalsContact O-N 3.12Å |
| 397 | D | 25.5 | Very low | 29.3 | Very low | 160 Ų | 160 | 135.5 Ų | 135.5 | 86% | 0.856 | 75% | 0.747 | S | S | * | * | trans | 26.7 | 101.7 | 166.3 | -88.7 | -29.9 | 0 | 0 | 0 | 118.4 | ||||
| 398 | C | 27.9 | Very low | 28.6 | Very low | 134 Ų | 134 | 137.1 Ų | 137.1 | 91% | 0.905 | 76% | 0.757 | S | S | * | * | trans | -135.7 | 126.5 | 143.3 | -97.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 399 | S | 26.9 | Very low | 28 | Very low | 115 Ų | 115 | 141.3 Ų | 141.3 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -57.7 | 146.9 | -168.2 | 43.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 400 | V | 27.1 | Very low | 27.6 | Very low | 112 Ų | 112 | 146.9 Ų | 146.9 | 68% | 0.679 | 81% | 0.807 | S | S | * | * | trans | -44.5 | 118.9 | 173.2 | -178.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 401 | D | 29.5 | Very low | 27 | Very low | 160 Ų | 160 | 143.1 Ų | 143.1 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | trans | -111.3 | 115.8 | 149.3 | -91.9 | -31.8 | 0 | 0 | 0 | 109.4 | I403 | D401-I403 PolarHBondContact O-N 2.89Š| ||
| 402 | N | 23.4 | Very low | 27 | Very low | 150 Ų | 150 | 142.3 Ų | 142.3 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | trans | -70 | 115.8 | -178.8 | -78.1 | -55.6 | 0 | 0 | 0 | 111.2 | ||||
| 403 | I | 29.4 | Very low | 26.7 | Very low | 157 Ų | 157 | 141.9 Ų | 141.9 | 81% | 0.805 | 82% | 0.815 | S | S | * | * | trans | -129.2 | 134.2 | 159.9 | -61.3 | -177.4 | 0 | 0 | 0 | 107.9 | D401 | D401-I403 PolarHBondContact O-N 2.89Š| ||
| 404 | P | 26.8 | Very low | 26.7 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 75% | 0.753 | 82% | 0.823 | S | S | * | * | trans | -82 | 143.7 | -146.1 | 29.4 | -33.9 | 0 | 0 | 0 | 115.3 | T406 | P404-T406 PolarHBondContact O-N 3.43Å; P404-T406 VanDerWaalsContact O-N 3.16Å | ||
| 405 | N | 24.1 | Very low | 26.6 | Very low | 154 Ų | 154 | 140 Ų | 140 | 82% | 0.824 | 81% | 0.814 | S | S | * | * | trans | -37.8 | 106.3 | 169.1 | -92 | -36.1 | 0 | 0 | 0 | 114.2 | K407 | N405-K407 PolarHBondContact O-N 3.11Š| ||
| 406 | T | 28 | Very low | 26.7 | Very low | 141 Ų | 141 | 141.9 Ų | 141.9 | 87% | 0.865 | 82% | 0.817 | S | S | * | * | trans | -83.1 | 91.9 | 153 | 39.5 | 0 | 0 | 0 | 0 | 108.8 | P404 H408 | P404-T406 PolarHBondContact O-N 3.43Å; P404-T406 VanDerWaalsContact O-N 3.16Å; T406-H408 PolarHBondContact O-N 3.31Å; T406-H408 VanDerWaalsContact O-N 3.11Å | ||
| 407 | K | 24.3 | Very low | 27.3 | Very low | 179 Ų | 179 | 139.8 Ų | 139.8 | 78% | 0.778 | 81% | 0.808 | S | S | * | * | trans | -58.6 | 106.8 | 168.4 | -72.7 | 179.2 | 176 | 178.1 | 0 | 109.9 | N405 | N405-K407 PolarHBondContact O-N 3.11Š| ||
| 408 | H | 28.5 | Very low | 28.1 | Very low | 187 Ų | 187 | 139.4 Ų | 139.4 | 87% | 0.866 | 80% | 0.803 | S | S | * | * | trans | -161.1 | 69.7 | 149.1 | -85 | -48.8 | 0 | 0 | 0 | 110.9 | T406 | T406-H408 PolarHBondContact O-N 3.31Å; T406-H408 VanDerWaalsContact O-N 3.11Å | ||
| 409 | S | 26.9 | Very low | 28.9 | Very low | 122 Ų | 122 | 133.8 Ų | 133.8 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | trans | -106.9 | 85.4 | 158.1 | 49.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 410 | K | 26.5 | Very low | 30.4 | Very low | 183 Ų | 183 | 130.8 Ų | 130.8 | 80% | 0.796 | 75% | 0.745 | S | S | * | * | trans | -82.2 | 111.5 | 159.6 | -86.6 | -173.5 | 175.2 | -178.6 | 0 | 106.7 | L412 | K410-L412 PolarHBondContact O-N 2.57Š| ||
| 411 | G | 23.2 | Very low | 32.1 | Very low | 77 Ų | 77 | 134.7 Ų | 134.7 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | trans | -53.9 | 119.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 412 | L | 29.1 | Very low | 33.9 | Very low | 166 Ų | 166 | 130.3 Ų | 130.3 | 87% | 0.869 | 73% | 0.729 | S | S | * | * | trans | -98.9 | 108.6 | 168.3 | -93.2 | 116.8 | 0 | 0 | 0 | 108.2 | K410 | K410-L412 PolarHBondContact O-N 2.57Š| ||
| 413 | T | 24.1 | Very low | 36.1 | Very low | 129 Ų | 129 | 123.2 Ų | 123.2 | 79% | 0.791 | 69% | 0.691 | S | S | * | * | trans | -55.2 | 148.6 | 169.3 | 49 | 0 | 0 | 0 | 0 | 112.2 | G415 | T413-G415 PolarHBondContact O-N 2.66Š| ||
| 414 | N | 27.4 | Very low | 37.6 | Very low | 180 Ų | 180 | 121.1 Ų | 121.1 | 96% | 0.963 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -29.6 | 101.2 | 171.1 | -74.6 | -19.5 | 0 | 0 | 0 | 114.4 | ||
| 415 | G | 25.7 | Very low | 39.3 | Very low | 57 Ų | 57 | 116.9 Ų | 116.9 | 59% | 0.588 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -152.2 | 137.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 106.7 | T413 S417 | T413-G415 PolarHBondContact O-N 2.66Å; G415-S417 VanDerWaalsContact C-N 3.28Å; G415-S417 PolarHBondContact O-N 3.24Å |
| 416 | N | 31.8 | Very low | 40.8 | Very low | 167 Ų | 167 | 112.5 Ų | 112.5 | 89% | 0.893 | 62% | 0.622 | S | S | * | * | trans | -45 | 88 | 177 | -81.8 | -22.4 | 0 | 0 | 0 | 111.3 | M418 | N416-M418 VanDerWaalsContact C-N 3.29Å; N416-M418 PolarHBondContact O-N 3.38Å | ||
| 417 | S | 36.8 | Very low | 42.3 | Very low | 90 Ų | 90 | 107.8 Ų | 107.8 | 63% | 0.629 | 59% | 0.589 | S | S | * | * | trans | -81.2 | 85 | -173.7 | 73.6 | 0 | 0 | 0 | 0 | 107.6 | G415 G419 | G415-S417 VanDerWaalsContact C-N 3.28Å; G415-S417 PolarHBondContact O-N 3.24Å; S417-G419 VanDerWaalsContact C-N 3.31Å; S417-G419 PolarHBondContact O-N 3.01Å | ||
| 418 | M | 41.9 | Very low | 43.7 | Very low | 152 Ų | 152 | 100.8 Ų | 100.8 | 75% | 0.749 | 56% | 0.562 | S | S | * | * | trans | -60.4 | 95.5 | 168.8 | -70.2 | -81.4 | -119.4 | 0 | 0 | 107.9 | N416 R424 | N416-M418 VanDerWaalsContact C-N 3.29Å; N416-M418 PolarHBondContact O-N 3.38Å; M418-R424 PolarHBondContact SD-NH1 3.11Å | ||
| 419 | G | 46.4 | Very low | 45.1 | Very low | 16 Ų | 16 | 97 Ų | 97 | 17% | 0.165 | 54% | 0.541 | C | S | . | . | trans | -50 | 164.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | S417 K421 R424 | S417-G419 VanDerWaalsContact C-N 3.31Å; S417-G419 PolarHBondContact O-N 3.01Å; G419-K421 PolarHBondContact O-N 3.21Å; G419-R424 PolarHBondContact O-NE 2.97Å | ||
| 420 | P | 58.2 | Low | 46.5 | Very low | 51 Ų | 51 | 91.6 Ų | 91.6 | 33% | 0.331 | 50% | 0.504 | S | S | . | . | trans | -55.7 | 123.2 | -164.5 | 14.9 | -27.6 | 0 | 0 | 0 | 113.9 | C107 L422 | C107-P420 WeakPolarHBondContact O-CD 3.31Å; P420-L422 PolarHBondContact O-N 3.05Å | ||
| 421 | K | 63.3 | Low | 48.1 | Very low | 194 Ų | 194 | 84.7 Ų | 84.7 | 84% | 0.843 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -22.5 | -176.5 | -69.1 | -177.2 | 178.1 | 179.5 | 0 | 114.6 | G419 F423 R424 | G419-K421 PolarHBondContact O-N 3.21Å; K421-F423 VanDerWaalsContact C-N 3.28Å; K421-F423 PolarHBondContact O-N 3.08Å; K421-R424 PolarHBondContact O-N 3.4Å |
| 422 | L | 66.2 | Low | 50 | Low | 68 Ų | 68 | 81.2 Ų | 81.2 | 36% | 0.356 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -32.6 | -171.9 | -173.1 | 63.8 | 0 | 0 | 0 | 113.7 | P420 | P420-L422 PolarHBondContact O-N 3.05Š|
| 423 | F | 69.3 | Low | 51.1 | Low | 1 Ų | 1 | 75 Ų | 75 | 0% | 0.004 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -16 | -176.3 | -66 | -83.7 | 0 | 0 | 0 | 113.4 | Y103 L106 E208 K421 R425 | Y103-F423 PolarHBondContact OH-O 3.43Å; L106-F423 HydrophobicContact CB-CD1 3.75Å; L106-F423 HydrophobicContact CB-CD2 4.39Å; L106-F423 HydrophobicContact CB-CE1 3.9Å; L106-F423 HydrophobicContact CB-CG 4Å; L106-F423 HydrophobicContact CB-CZ 4.32Å; L106-F423 HydrophobicContact CD1-CD1 4.17Å; L106-F423 HydrophobicContact CD1-CE1 3.92Å; L106-F423 HydrophobicContact CD2-CE1 4.1Å; L106-F423 HydrophobicContact CD2-CZ 4.14Å; L106-F423 HydrophobicContact CG-CD1 4.44Å; L106-F423 HydrophobicContact CG-CE1 4.19Å; L106-F423 VanDerWaalsContact O-CD2 3.24Å; L106-F423 WeakPolarHBondContact O-CD2 3.16Å; E208-F423 HydrophobicContact CG-CE1 4.12Å; E208-F423 WeakPolarHBondContact O-CE1 3.36Å; K421-F423 VanDerWaalsContact C-N 3.28Å; K421-F423 PolarHBondContact O-N 3.08Å; F423-R425 VanDerWaalsContact C-N 3.27Å; F423-R425 PolarHBondContact O-N 3.07Å |
| 424 | R | 61 | Low | 52.3 | Low | 113 Ų | 113 | 70.8 Ų | 70.8 | 43% | 0.426 | 39% | 0.39 | S | S | . | . | trans | -77 | 66.3 | -174.3 | -65.1 | -177.2 | 176.3 | -164.6 | -7.5 | 112.9 | M418 G419 K421 | M418-R424 PolarHBondContact SD-NH1 3.11Å; G419-R424 PolarHBondContact O-NE 2.97Å; K421-R424 PolarHBondContact O-N 3.4Å | ||
| 425 | R | 63 | Low | 53.6 | Low | 27 Ų | 27 | 67.7 Ų | 67.7 | 10% | 0.102 | 37% | 0.373 | C | S | . | . | trans | -112.6 | 149 | 171.5 | 60.9 | 175.2 | 175 | 170.6 | 0.9 | 111.9 | Y103 E208 P213 R215 F423 R427 | Y103-R425 PolarHBondContact OH-O 2.84Å; Y103-R425 VanDerWaalsContact OH-O 3.13Å; E208-R425 IonicContact OE2-NH2 3.29Å; E208-R425 PolarHBondContact OE2-NH2 3.43Å; P213-R425 VanDerWaalsContact CB-CZ 3.43Å; R215-R425 PolarHBondContact O-NH1 3.48Å; F423-R425 VanDerWaalsContact C-N 3.27Å; F423-R425 PolarHBondContact O-N 3.07Å; R425-R427 HydrophobicContact CG-CG 4.42Å | ||
| 426 | P | 54.6 | Low | 55 | Low | 63 Ų | 63 | 68.3 Ų | 68.3 | 41% | 0.409 | 36% | 0.363 | S | S | . | . | trans | -57.8 | 145.9 | 160 | -7.5 | 22.8 | 0 | 0 | 0 | 108.7 | E217 K300 | E217-P426 WeakPolarHBondContact OE1-CD 3.26Å; E217-P426 WeakPolarHBondContact OE1-CG 3.47Å; K300-P426 VanDerWaalsContact NZ-CD 3.34Å; K300-P426 VanDerWaalsContact NZ-N 3.11Å | ||
| 427 | R | 59.4 | Low | 56.2 | Low | 42 Ų | 42 | 63.1 Ų | 63.1 | 16% | 0.158 | 34% | 0.335 | C | S | . | . | trans | -123 | 132.4 | 163.5 | -68 | -171.6 | -177.2 | 154.9 | -1.1 | 107.4 | E144 L181 E208 R425 R429 | E144-R427 VanDerWaalsContact CD-NH1 3.28Å; E144-R427 VanDerWaalsContact OE1-CD 3.27Å; E144-R427 WeakPolarHBondContact OE1-CD 3.25Å; E144-R427 IonicContact OE1-CZ 3.85Å; E144-R427 IonicContact OE1-NE 2.53Å; E144-R427 IonicContact OE1-NH1 3.3Å; E144-R427 PolarHBondContact OE1-NH1 3.48Å; E144-R427 IonicContact OE2-NH1 3.83Å; E144-R427 PolarHBondContact OE2-NH1 2.81Å; L181-R427 HydrophobicContact CD1-CG 3.91Å; E208-R427 IonicContact OE1-CZ 3.85Å; E208-R427 VanDerWaalsContact OE1-CZ 3.3Å; E208-R427 IonicContact OE1-NH1 2.74Å; E208-R427 PolarHBondContact OE1-NH1 2.92Å; E208-R427 IonicContact OE1-NH2 3.9Å; E208-R427 PolarHBondContact OE1-NH2 3.5Å; E208-R427 IonicContact OE2-CZ 3.95Å; E208-R427 IonicContact OE2-NH2 3.13Å; E208-R427 PolarHBondContact OE2-NH2 2.76Å; R425-R427 HydrophobicContact CG-CG 4.42Å; R427-R429 PolarHBondContact O-N 3Å | ||
| 428 | S | 53.7 | Low | 57.3 | Low | 32 Ų | 32 | 61.6 Ų | 61.6 | 22% | 0.224 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -54.3 | 136.2 | 165 | 47.2 | 0 | 0 | 0 | 0 | 108 | E224 | E224-S428 PolarHBondContact OE2-OG 3.42Š|
| 429 | R | 59 | Low | 58.2 | Low | 108 Ų | 108 | 56.2 Ų | 56.2 | 41% | 0.408 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 153.3 | 170.8 | -63.9 | -177.2 | -170.8 | 174 | 3.8 | 107.8 | E301 R427 T431 | E301-R429 IonicContact OE1-NH2 3.23Å; E301-R429 PolarHBondContact OE1-NH2 3.03Å; E301-R429 IonicContact OE2-NH2 2.74Å; E301-R429 PolarHBondContact OE2-NH2 2.91Å; R427-R429 PolarHBondContact O-N 3Å; R429-T431 PolarHBondContact O-N 2.97Å |
| 430 | G | 56.3 | Low | 59 | Low | 8 Ų | 8 | 58.8 Ų | 58.8 | 8% | 0.082 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 130.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | R161 G178 | R161-G430 PolarHBondContact NH1-O 2.88Å; R161-G430 PolarHBondContact NH2-O 2.7Å; G178-G430 WeakPolarHBondContact O-CA 3.16Å |
| 431 | T | 59.3 | Low | 59 | Low | 37 Ų | 37 | 59.3 Ų | 59.3 | 23% | 0.227 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 145.9 | 175.7 | 60.7 | 0 | 0 | 0 | 0 | 109.7 | R161 G178 F225 R429 | R161-T431 PolarHBondContact NH2-O 3.18Å; G178-T431 PolarHBondContact O-N 3.05Å; F225-T431 WeakPolarHBondContact CE2-OG1 3.11Å; F225-T431 VanDerWaalsContact CZ-OG1 3.3Å; F225-T431 WeakPolarHBondContact CZ-OG1 3.39Å; R429-T431 PolarHBondContact O-N 2.97Å |
| 432 | S | 62.8 | Low | 58.7 | Low | 4 Ų | 4 | 49.6 Ų | 49.6 | 3% | 0.028 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 162.4 | 171.5 | -165.5 | 0 | 0 | 0 | 0 | 110.2 | L173 D174 F176 G434 D435 | L173-S432 PolarHBondContact O-OG 3.24Å; L173-S432 VanDerWaalsContact O-OG 3.07Å; D174-S432 VanDerWaalsContact C-OG 3.3Å; D174-S432 WeakPolarHBondContact CA-OG 3.5Å; D174-S432 PolarHBondContact O-OG 3.24Å; F176-S432 PolarHBondContact O-OG 2.92Å; S432-G434 PolarHBondContact OG-N 2.97Å; S432-D435 VanDerWaalsContact CB-OD2 3.24Å; S432-D435 WeakPolarHBondContact CB-OD2 3.31Å; S432-D435 PolarHBondContact N-OD2 3.21Å |
| 433 | I | 53.7 | Low | 58.1 | Low | 37 Ų | 37 | 48.2 Ų | 48.2 | 19% | 0.19 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -67.2 | -26.2 | 165.2 | -68.5 | -178.9 | 0 | 0 | 0 | 110.7 | L173 F176 V187 A188 F225 | L173-I433 HydrophobicContact CD2-CG2 4.27Å; F176-I433 HydrophobicContact CB-CB 4.31Å; F176-I433 HydrophobicContact CB-CD1 3.66Å; F176-I433 HydrophobicContact CB-CG1 4.06Å; F176-I433 HydrophobicContact CG-CD1 4.46Å; F176-I433 WeakPolarHBondContact O-CG1 3.43Å; F176-I433 PolarHBondContact O-N 3.34Å; V187-I433 WeakPolarHBondContact O-CD1 3.3Å; A188-I433 VanDerWaalsContact O-CD1 3.29Å; A188-I433 WeakPolarHBondContact O-CD1 3.35Å; F225-I433 HydrophobicContact CE1-CG1 4.08Å |
| 434 | G | 49.2 | Very low | 57.2 | Low | 40 Ų | 40 | 52.2 Ų | 52.2 | 41% | 0.412 | 27% | 0.273 | S | S | . | . | trans | -78.3 | -19.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | S432 | S432-G434 PolarHBondContact OG-N 2.97Š| ||
| 435 | D | 54.6 | Low | 56.9 | Low | 115 Ų | 115 | 46.6 Ų | 46.6 | 62% | 0.615 | 26% | 0.26 | S | S | * | . | trans | -82.9 | 0 | 173.3 | -56.9 | -49.9 | 0 | 0 | 0 | 110.4 | S52 S432 | S52-D435 PolarHBondContact OG-OD1 3.39Å; S52-D435 VanDerWaalsContact OG-OD1 3.1Å; S432-D435 VanDerWaalsContact CB-OD2 3.24Å; S432-D435 WeakPolarHBondContact CB-OD2 3.31Å; S432-D435 PolarHBondContact N-OD2 3.21Å |
Retrieved 435 of 435 residues in 890.8 ms
(Link to these results)