| 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 | 62.7 | Low | 91.7 | Very high | 242 Ų | 242 | 41.9 Ų | 41.9 | 100% | 1.192 | 19% | 0.193 | S | C | * | . | 0 | 151.6 | 0 | -78.5 | -179.8 | -102.3 | 0 | 0 | 108 | |||||
| 2 | K | 85.8 | Confident | 91.3 | Very high | 108 Ų | 108 | 38.4 Ų | 38.4 | 47% | 0.47 | 18% | 0.177 | S | C | . | . | P | Polyproline II helix | trans | -60.5 | 140.5 | 170.2 | -163.1 | 178 | -173.2 | -168.2 | 0 | 107.5 | E141 E212 N216 | K2-E141 WeakPolarHBondContact CE-OE2 3.09Å; K2-E141 IonicContact NZ-OE1 2.9Å; K2-E141 PolarHBondContact NZ-OE1 3.06Å; K2-E141 VanDerWaalsContact NZ-OE1 3.13Å; K2-E141 IonicContact NZ-OE2 2.91Å; K2-E141 PolarHBondContact NZ-OE2 2.73Å; K2-E212 IonicContact NZ-OE1 3.28Å; K2-N216 WeakPolarHBondContact CD-ND2 3.28Å |
| 3 | R | 94 | Very high | 91 | Very high | 94 Ų | 94 | 35.5 Ų | 35.5 | 36% | 0.355 | 16% | 0.164 | S | C | . | . | P | Polyproline II helix | trans | -67.5 | 138 | 174.8 | -66.8 | 178.2 | 76.8 | -170.3 | 13.1 | 108.3 | A91 Y93 P142 N216 | R3-A91 VanDerWaalsContact CZ-O 3.25Å; R3-A91 PolarHBondContact NH1-O 3.41Å; R3-A91 PolarHBondContact NH2-O 2.65Å; R3-Y93 VanDerWaalsContact CZ-CE2 3.47Å; R3-Y93 VanDerWaalsContact NH2-CE2 3.28Å; R3-P142 HydrophobicContact CB-CB 4.04Å; R3-P142 HydrophobicContact CB-CG 4.16Å; R3-N216 PolarHBondContact O-ND2 3.46Å |
| 4 | P | 96.4 | Very high | 90.8 | Very high | 16 Ų | 16 | 32.9 Ų | 32.9 | 10% | 0.104 | 15% | 0.152 | C | C | . | . | P | Polyproline II helix | trans | -71.4 | 151.8 | -175.9 | 28.4 | -34.1 | 0 | 0 | 0 | 111.1 | F6 Y93 L278 | P4-F6 HydrophobicContact CB-CE2 4.35Å; P4-F6 HydrophobicContact CB-CZ 4.31Å; P4-F6 HydrophobicContact CG-CE2 3.87Å; P4-F6 HydrophobicContact CG-CZ 3.79Å; P4-Y93 WeakPolarHBondContact O-CE1 3.46Å; P4-Y93 PolarHBondContact O-OH 2.85Å; P4-L278 WeakPolarHBondContact CG-O 3.48Å |
| 5 | N | 96.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 157.7 | 164.3 | -55.8 | -46.8 | 0 | 0 | 0 | 110.5 | E141 P142 F143 N216 T217 W218 | N5-E141 PolarHBondContact ND2-OE2 2.96Å; N5-P142 VanDerWaalsContact OD1-CA 3.29Å; N5-P142 WeakPolarHBondContact OD1-CA 3.46Å; N5-F143 CarbonylContact C-O 3.54Å; N5-F143 WeakPolarHBondContact CA-O 3.16Å; N5-F143 HydrophobicContact CB-CD1 3.89Å; N5-F143 HydrophobicContact CB-CD2 4.17Å; N5-F143 HydrophobicContact CB-CE1 3.56Å; N5-F143 HydrophobicContact CB-CE2 3.86Å; N5-F143 HydrophobicContact CB-CG 4.18Å; N5-F143 HydrophobicContact CB-CZ 3.55Å; N5-F143 WeakPolarHBondContact OD1-CD1 3.4Å; N5-F143 PolarHBondContact OD1-N 3.36Å; N5-F143 VanDerWaalsContact OD1-N 3.09Å; N5-N216 PolarHBondContact N-O 3.17Å; N5-N216 PolarHBondContact ND2-ND2 3.35Å; N5-T217 HydrophobicContact CB-CG2 4.18Å; N5-T217 WeakPolarHBondContact CB-OG1 3.39Å; N5-T217 WeakPolarHBondContact O-CA 3.34Å; N5-W218 PolarHBondContact O-N 2.71Å |
| 6 | F | 97.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 121.6 | 175.4 | -61.4 | -88.1 | 0 | 0 | 0 | 110.3 | P4 F88 Y93 F143 L144 M145 W218 I220 M275 L278 A279 | P4-F6 HydrophobicContact CB-CE2 4.35Å; P4-F6 HydrophobicContact CB-CZ 4.31Å; P4-F6 HydrophobicContact CG-CE2 3.87Å; P4-F6 HydrophobicContact CG-CZ 3.79Å; F6-F88 AromaticContact CD2-CE1 3.7Å; F6-F88 HydrophobicContact CD2-CE1 3.7Å; F6-F88 HydrophobicContact CD2-CZ 4.38Å; F6-F88 AromaticContact CE2-CE1 3.64Å; F6-F88 HydrophobicContact CE2-CE1 3.64Å; F6-F88 HydrophobicContact CE2-CZ 4.23Å; F6-F88 HydrophobicContact CZ-CE1 4.44Å; F6-Y93 AromaticContact CD2-CE1 3.97Å; F6-Y93 HydrophobicContact CD2-CE1 3.97Å; F6-Y93 HydrophobicContact CE2-CE1 4.03Å; F6-F143 PolarHBondContact N-O 3.18Å; F6-L144 HydrophobicContact CB-CD1 3.69Å; F6-L144 WeakPolarHBondContact O-CA 3.18Å; F6-M145 PolarHBondContact O-N 3.32Å; F6-W218 WeakPolarHBondContact CA-O 3.43Å; F6-W218 HydrophobicContact CD1-CB 3.86Å; F6-W218 HydrophobicContact CD1-CG 4.47Å; F6-W218 HydrophobicContact CE1-CB 4.08Å; F6-W218 HydrophobicContact CE1-CG 4.21Å; F6-I220 HydrophobicContact CD1-CD1 4.35Å; F6-M275 HydrophobicContact CB-CE 4.07Å; F6-M275 HydrophobicContact CD1-CB 4.32Å; F6-M275 HydrophobicContact CD1-CE 4.07Å; F6-M275 HydrophobicContact CD1-CG 4.13Å; F6-M275 HydrophobicContact CE1-CB 4Å; F6-M275 HydrophobicContact CE1-CG 4.15Å; F6-M275 HydrophobicContact CG-CE 4.05Å; F6-M275 HydrophobicContact CZ-CB 4.39Å; F6-M275 WeakPolarHBondContact CZ-O 3.18Å; F6-L278 HydrophobicContact CE1-CB 4.07Å; F6-L278 HydrophobicContact CE1-CD1 4.09Å; F6-L278 HydrophobicContact CZ-CB 3.88Å; F6-A279 HydrophobicContact CE2-CB 3.83Å; F6-A279 HydrophobicContact CZ-CB 3.98Å |
| 7 | L | 95.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 106.8 | 163.9 | 174.9 | 63 | 0 | 0 | 0 | 107.6 | V9 M145 V147 V205 I206 L209 T217 W218 V219 I220 | L7-V9 HydrophobicContact CD1-CG2 4.18Å; L7-V9 HydrophobicContact CD2-CG2 4.31Å; L7-V9 HydrophobicContact CG-CG2 3.9Å; L7-M145 HydrophobicContact CD1-CB 4.38Å; L7-M145 HydrophobicContact CD1-CG 4.22Å; L7-M145 HydrophobicContact CD1-SD 4.26Å; L7-V147 HydrophobicContact CD1-CG2 4.22Å; L7-V205 HydrophobicContact CD1-CG1 3.95Å; L7-V205 HydrophobicContact CD2-CG1 4.05Å; L7-I206 HydrophobicContact CD2-CG1 4.23Å; L7-L209 HydrophobicContact CD2-CD1 4.13Å; L7-T217 HydrophobicContact CB-CG2 3.87Å; L7-W218 PolarHBondContact N-O 3.38Å; L7-V219 HydrophobicContact CB-CG2 4.45Å; L7-V219 HydrophobicContact CD2-CG1 4.27Å; L7-V219 HydrophobicContact CD2-CG2 4.35Å; L7-V219 WeakPolarHBondContact O-CA 3.28Å; L7-I220 PolarHBondContact O-N 2.84Å |
| 8 | F | 97.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 112.6 | 178.3 | -165.7 | -69.4 | 0 | 0 | 0 | 108.8 | M10 L59 M84 M145 V146 V147 I220 T222 L271 M275 | F8-M10 HydrophobicContact CE1-CB 4.12Å; F8-M10 HydrophobicContact CE1-SD 4.45Å; F8-L59 HydrophobicContact CE1-CD2 4.04Å; F8-L59 HydrophobicContact CE2-CD1 4.38Å; F8-L59 HydrophobicContact CZ-CD1 3.77Å; F8-L59 HydrophobicContact CZ-CD2 3.99Å; F8-L59 HydrophobicContact CZ-CG 4.3Å; F8-M84 HydrophobicContact CE2-CE 4.48Å; F8-M145 PolarHBondContact N-O 3.14Å; F8-V146 HydrophobicContact CB-CG2 4.16Å; F8-V146 HydrophobicContact CD1-CG1 4.2Å; F8-V146 CarbonylContact O-C 3.57Å; F8-V146 VanDerWaalsContact O-CA 3.25Å; F8-V146 WeakPolarHBondContact O-CA 3.38Å; F8-V147 PolarHBondContact O-N 3.48Å; F8-I220 HydrophobicContact CD2-CB 3.96Å; F8-I220 HydrophobicContact CD2-CD1 4.09Å; F8-I220 HydrophobicContact CD2-CG2 3.85Å; F8-I220 HydrophobicContact CE2-CB 4.28Å; F8-I220 HydrophobicContact CE2-CG2 3.64Å; F8-I220 HydrophobicContact CG-CB 4.47Å; F8-I220 HydrophobicContact CZ-CG2 4.18Å; F8-T222 HydrophobicContact CE1-CG2 3.82Å; F8-T222 HydrophobicContact CZ-CG2 3.71Å; F8-L271 HydrophobicContact CE2-CD1 4.05Å; F8-L271 HydrophobicContact CZ-CD1 3.96Å; F8-M275 HydrophobicContact CD2-CE 4.27Å; F8-M275 HydrophobicContact CD2-SD 3.89Å; F8-M275 HydrophobicContact CE2-SD 4.19Å |
| 9 | V | 95.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 133.1 | -179.9 | -174.1 | 0 | 0 | 0 | 0 | 108.6 | L7 V147 Y149 I202 I220 Y221 T222 | L7-V9 HydrophobicContact CD1-CG2 4.18Å; L7-V9 HydrophobicContact CD2-CG2 4.31Å; L7-V9 HydrophobicContact CG-CG2 3.9Å; V9-V147 CarbonylContact C-O 3.46Å; V9-V147 WeakPolarHBondContact CA-O 3.41Å; V9-Y149 HydrophobicContact CG1-CD2 4.29Å; V9-Y149 HydrophobicContact CG1-CE2 3.84Å; V9-I202 HydrophobicContact CG1-CD1 4.38Å; V9-I202 HydrophobicContact CG1-CG1 3.84Å; V9-I202 HydrophobicContact CG1-CG2 4.31Å; V9-I220 PolarHBondContact N-O 3.16Å; V9-Y221 HydrophobicContact CB-CD2 4.49Å; V9-Y221 HydrophobicContact CG1-CD2 4.34Å; V9-Y221 VanDerWaalsContact O-CA 3.27Å; V9-Y221 WeakPolarHBondContact O-CA 3.24Å; V9-T222 PolarHBondContact O-N 3.5Å; V9-T222 VanDerWaalsContact O-N 3.08Å |
| 10 | M | 94.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 149 | 172.4 | 67.7 | -179.7 | -62.3 | 0 | 0 | 113.9 | F8 R56 L59 F60 V147 S148 Y149 T222 D224 | F8-M10 HydrophobicContact CE1-CB 4.12Å; F8-M10 HydrophobicContact CE1-SD 4.45Å; M10-R56 HydrophobicContact CE-CG 4.21Å; M10-L59 HydrophobicContact CE-CD2 3.88Å; M10-L59 HydrophobicContact SD-CD2 3.87Å; M10-F60 HydrophobicContact SD-CE2 3.9Å; M10-F60 HydrophobicContact SD-CZ 3.5Å; M10-F60 WeakPolarHBondContact SD-CZ 3.28Å; M10-V147 PolarHBondContact N-O 2.99Å; M10-S148 CarbonylContact O-C 3.46Å; M10-S148 WeakPolarHBondContact O-CA 3.49Å; M10-Y149 PolarHBondContact O-N 3.25Å; M10-T222 WeakPolarHBondContact CA-O 3.31Å; M10-T222 HydrophobicContact CB-CG2 4.18Å; M10-T222 WeakPolarHBondContact CB-O 3.45Å; M10-D224 HydrophobicContact CE-CB 3.68Å |
| 11 | T | 92.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 167.1 | 169.4 | 49.1 | 0 | 0 | 0 | 0 | 110.6 | Q14 E151 V198 I202 Y221 T222 S223 D224 | T11-Q14 WeakPolarHBondContact OG1-CB 3.2Å; T11-Q14 PolarHBondContact OG1-OE1 2.71Å; T11-E151 VanDerWaalsContact CB-O 3.32Å; T11-E151 WeakPolarHBondContact CB-O 3.48Å; T11-V198 HydrophobicContact CG2-CG1 4.25Å; T11-V198 HydrophobicContact CG2-CG2 3.81Å; T11-I202 HydrophobicContact CG2-CD1 4.02Å; T11-Y221 HydrophobicContact CG2-CE2 4.18Å; T11-T222 PolarHBondContact N-O 2.63Å; T11-S223 WeakPolarHBondContact O-CA 3.38Å; T11-D224 PolarHBondContact O-N 3.48Å |
| 12 | D | 87.6 | Confident | 92.5 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -103.1 | 128.8 | 174.6 | -166.4 | 71.5 | 0 | 0 | 0 | 109.1 | Q14 R56 K100 Y149 D150 E151 H153 | D12-Q14 VanDerWaalsContact C-N 3.28Å; D12-Q14 PolarHBondContact O-N 3.05Å; D12-R56 IonicContact OD1-CZ 3.53Å; D12-R56 IonicContact OD1-NE 3.56Å; D12-R56 IonicContact OD1-NH2 3.84Å; D12-R56 PolarHBondContact OD1-NH2 3.41Å; D12-K100 WeakPolarHBondContact OD1-CE 3.46Å; D12-K100 IonicContact OD1-NZ 3.11Å; D12-K100 PolarHBondContact OD1-NZ 3.45Å; D12-K100 IonicContact OD2-NZ 3.54Å; D12-K100 PolarHBondContact OD2-NZ 2.74Å; D12-Y149 PolarHBondContact N-O 2.93Å; D12-D150 WeakPolarHBondContact CB-O 3.43Å; D12-E151 PolarHBondContact N-O 3.37Å; D12-H153 IonicContact OD2-CD2 3.52Å |
| 13 | T | 86.6 | Confident | 92.8 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.07 | C | C | . | . | S | Bend | trans | 59.9 | 32.1 | 168.2 | -53.3 | 0 | 0 | 0 | 0 | 114.3 | Y191 S223 D224 H225 E227 | T13-Y191 PolarHBondContact O-OH 2.85Å; T13-S223 PolarHBondContact N-OG 3.41Å; T13-D224 PolarHBondContact N-OD1 3.16Å; T13-H225 CarbonylContact C-O 3.5Å; T13-H225 VanDerWaalsContact CA-O 3.3Å; T13-H225 WeakPolarHBondContact CA-O 3.25Å; T13-H225 PolarHBondContact OG1-CE1 3.16Å; T13-H225 VanDerWaalsContact OG1-CE1 3.25Å; T13-E227 HydrophobicContact CG2-CB 3.67Å; T13-E227 HydrophobicContact CG2-CG 4.28Å |
| 14 | Q | 88.3 | Confident | 92.6 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | trans | -98.1 | 106.9 | 174.1 | -160.8 | 176.3 | 15.7 | 0 | 0 | 112.2 | T11 D12 M18 V19 P152 N195 Y221 S223 H225 P249 | T11-Q14 WeakPolarHBondContact OG1-CB 3.2Å; T11-Q14 PolarHBondContact OG1-OE1 2.71Å; D12-Q14 VanDerWaalsContact C-N 3.28Å; D12-Q14 PolarHBondContact O-N 3.05Å; Q14-M18 HydrophobicContact CG-CB 4.1Å; Q14-V19 HydrophobicContact CG-CG2 4.17Å; Q14-P152 HydrophobicContact CB-CG 3.99Å; Q14-P152 HydrophobicContact CG-CG 3.8Å; Q14-N195 PolarHBondContact NE2-OD1 3.47Å; Q14-Y221 PolarHBondContact OE1-OH 2.91Å; Q14-S223 PolarHBondContact N-OG 2.85Å; Q14-S223 WeakPolarHBondContact O-CB 3.49Å; Q14-S223 PolarHBondContact O-OG 3.2Å; Q14-H225 PolarHBondContact N-O 2.99Å; Q14-P249 WeakPolarHBondContact O-CD 3.11Å | ||
| 15 | A | 86.3 | Confident | 92.2 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | -75.5 | 158.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | N17 M18 D244 | A15-N17 WeakPolarHBondContact CB-OD1 3.49Å; A15-N17 PolarHBondContact O-N 2.83Å; A15-N17 VanDerWaalsContact O-N 3.15Å; A15-M18 WeakPolarHBondContact O-CB 3.34Å; A15-M18 PolarHBondContact O-N 3.22Å; A15-D244 VanDerWaalsContact CB-O 3.25Å; A15-D244 WeakPolarHBondContact CB-O 2.91Å | ||
| 16 | T | 92.4 | Very high | 91.7 | Very high | 11 Ų | 11 | 24 Ų | 24 | 7% | 0.067 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -60 | -26.4 | 177.8 | 49 | 0 | 0 | 0 | 0 | 113.5 | M18 V19 Y22 R247 I248 | T16-M18 PolarHBondContact O-N 3.02Å; T16-V19 PolarHBondContact O-N 3.32Å; T16-Y22 HydrophobicContact CG2-CD1 4.04Å; T16-Y22 HydrophobicContact CG2-CE1 4.5Å; T16-Y22 HydrophobicContact CG2-CG 4.14Å; T16-Y22 VanDerWaalsContact O-CB 3.23Å; T16-Y22 WeakPolarHBondContact O-CB 3.49Å; T16-R247 HydrophobicContact CG2-CG 4.19Å; T16-I248 WeakPolarHBondContact CG2-O 3.4Å |
| 17 | N | 88 | Confident | 91.2 | Very high | 38 Ų | 38 | 25.2 Ų | 25.2 | 20% | 0.203 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -69.4 | -8.6 | 176.3 | 64.4 | -2.2 | 0 | 0 | 0 | 113.1 | A15 S23 | A15-N17 WeakPolarHBondContact CB-OD1 3.49Å; A15-N17 PolarHBondContact O-N 2.83Å; A15-N17 VanDerWaalsContact O-N 3.15Å; N17-S23 WeakPolarHBondContact O-CB 3.49Å |
| 18 | M | 87.6 | Confident | 90.8 | Very high | 7 Ų | 7 | 28.8 Ų | 28.8 | 3% | 0.034 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -107.1 | 9.1 | 179 | -71.2 | -54.5 | -49.7 | 0 | 0 | 114.6 | Q14 A15 T16 L27 T29 Y191 F192 N195 M229 | Q14-M18 HydrophobicContact CG-CB 4.1Å; A15-M18 WeakPolarHBondContact O-CB 3.34Å; A15-M18 PolarHBondContact O-N 3.22Å; T16-M18 PolarHBondContact O-N 3.02Å; M18-L27 HydrophobicContact CE-CD2 4.28Å; M18-T29 WeakPolarHBondContact O-CG2 3.44Å; M18-Y191 HydrophobicContact CE-CD1 4.05Å; M18-Y191 HydrophobicContact CE-CE1 3.6Å; M18-Y191 HydrophobicContact CG-CE1 3.68Å; M18-Y191 HydrophobicContact SD-CD1 4.48Å; M18-Y191 HydrophobicContact SD-CE1 3.8Å; M18-F192 HydrophobicContact CE-CD1 3.57Å; M18-F192 HydrophobicContact CE-CE1 3.62Å; M18-F192 HydrophobicContact SD-CE1 4Å; M18-N195 HydrophobicContact CE-CB 4.3Å; M18-N195 PolarHBondContact O-ND2 2.97Å; M18-N195 PolarHBondContact O-OD1 3.32Å; M18-M229 HydrophobicContact CG-CE 3.94Å; M18-M229 HydrophobicContact CG-SD 3.52Å; M18-M229 VanDerWaalsContact CG-SD 3.52Å; M18-M229 HydrophobicContact SD-CE 3.58Å; M18-M229 VanDerWaalsContact SD-CE 3.58Å; M18-M229 HydrophobicContact SD-SD 4.02Å |
| 19 | V | 93.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -122.3 | 125.8 | 175.1 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | Q14 T16 C21 Y22 S23 I32 P249 | Q14-V19 HydrophobicContact CG-CG2 4.17Å; T16-V19 PolarHBondContact O-N 3.32Å; V19-C21 PolarHBondContact O-N 3.08Å; V19-Y22 HydrophobicContact CB-CD2 3.78Å; V19-Y22 HydrophobicContact CG1-CD2 3.66Å; V19-Y22 HydrophobicContact CG1-CE2 4.12Å; V19-Y22 PolarHBondContact O-N 3.45Å; V19-Y22 VanDerWaalsContact O-N 3.07Å; V19-S23 WeakPolarHBondContact O-CB 3.29Å; V19-S23 PolarHBondContact O-N 2.8Å; V19-S23 PolarHBondContact O-OG 2.56Å; V19-I32 HydrophobicContact CG1-CB 4.36Å; V19-I32 HydrophobicContact CG1-CG2 3.47Å; V19-I32 VanDerWaalsContact CG1-CG2 3.47Å; V19-P249 HydrophobicContact CG2-CB 4.15Å; V19-P249 HydrophobicContact CG2-CG 4.21Å |
| 20 | G | 94.6 | Very high | 90.6 | Very high | 8 Ų | 8 | 33.7 Ų | 33.7 | 8% | 0.082 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -55.4 | -46.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y22 S23 G24 T29 | G20-Y22 PolarHBondContact O-N 3.32Å; G20-Y22 VanDerWaalsContact O-N 3.12Å; G20-S23 PolarHBondContact O-N 2.84Å; G20-G24 WeakPolarHBondContact O-CA 2.99Å; G20-G24 PolarHBondContact O-N 2.78Å; G20-T29 PolarHBondContact N-OG1 3.05Å |
| 21 | C | 96 | Very high | 90.8 | Very high | 33 Ų | 33 | 35.6 Ų | 35.6 | 22% | 0.223 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.5 | -19.3 | -179.1 | 70.4 | 0 | 0 | 0 | 0 | 113.9 | V19 D33 A36 R41 | V19-C21 PolarHBondContact O-N 3.08Å; C21-D33 HydrophobicContact CB-CB 4.47Å; C21-D33 VanDerWaalsContact CB-OD1 3.3Å; C21-D33 WeakPolarHBondContact CB-OD1 3.43Å; C21-D33 PolarHBondContact N-OD1 3.1Å; C21-A36 HydrophobicContact CB-CB 4.02Å; C21-R41 VanDerWaalsContact O-CZ 3.26Å; C21-R41 PolarHBondContact O-NH1 3.09Å |
| 22 | Y | 95.5 | Very high | 91 | Very high | 38 Ų | 38 | 35.6 Ų | 35.6 | 15% | 0.149 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -98.4 | -44.5 | 176.4 | -69.1 | -84.3 | 0 | 0 | 0 | 112.8 | T16 V19 G20 R41 F42 P249 L250 I251 | T16-Y22 HydrophobicContact CG2-CD1 4.04Å; T16-Y22 HydrophobicContact CG2-CE1 4.5Å; T16-Y22 HydrophobicContact CG2-CG 4.14Å; T16-Y22 VanDerWaalsContact O-CB 3.23Å; T16-Y22 WeakPolarHBondContact O-CB 3.49Å; V19-Y22 HydrophobicContact CB-CD2 3.78Å; V19-Y22 HydrophobicContact CG1-CD2 3.66Å; V19-Y22 HydrophobicContact CG1-CE2 4.12Å; V19-Y22 PolarHBondContact O-N 3.45Å; V19-Y22 VanDerWaalsContact O-N 3.07Å; G20-Y22 PolarHBondContact O-N 3.32Å; G20-Y22 VanDerWaalsContact O-N 3.12Å; Y22-R41 HydrophobicContact CD1-CG 4.49Å; Y22-R41 HydrophobicContact CE1-CG 3.69Å; Y22-R41 HydrophobicContact CE2-CG 4.35Å; Y22-R41 WeakPolarHBondContact OH-CG 3.15Å; Y22-F42 WeakPolarHBondContact CE1-O 3.25Å; Y22-P249 HydrophobicContact CD2-CB 4.13Å; Y22-P249 HydrophobicContact CE2-CB 3.59Å; Y22-L250 VanDerWaalsContact OH-C 3.22Å; Y22-L250 PolarHBondContact OH-N 3.4Å; Y22-L250 PolarHBondContact OH-O 3.38Å; Y22-I251 HydrophobicContact CE2-CD1 4.34Å; Y22-I251 HydrophobicContact CE2-CG1 4.37Å |
| 23 | S | 91.9 | Very high | 91.5 | Very high | 34 Ų | 34 | 37.6 Ų | 37.6 | 24% | 0.238 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -79.6 | -23.6 | -174.8 | 67.2 | 0 | 0 | 0 | 0 | 113.7 | N17 V19 G20 K25 | N17-S23 WeakPolarHBondContact O-CB 3.49Å; V19-S23 WeakPolarHBondContact O-CB 3.29Å; V19-S23 PolarHBondContact O-N 2.8Å; V19-S23 PolarHBondContact O-OG 2.56Å; G20-S23 PolarHBondContact O-N 2.84Å; S23-K25 PolarHBondContact O-N 3.33Å; S23-K25 PolarHBondContact OG-N 3.06Å |
| 24 | G | 90.4 | Very high | 92 | Very high | 74 Ų | 74 | 40.5 Ų | 40.5 | 76% | 0.763 | 24% | 0.241 | S | C | * | . | trans | 67.6 | 6.8 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114 | G20 | G20-G24 WeakPolarHBondContact O-CA 2.99Å; G20-G24 PolarHBondContact O-N 2.78Å | ||
| 25 | K | 88.4 | Confident | 92.4 | Very high | 124 Ų | 124 | 40.9 Ų | 40.9 | 54% | 0.539 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -89.4 | 151.1 | 178.4 | -62.6 | 177.7 | -175.8 | 174 | 0 | 110.1 | S23 L27 | S23-K25 PolarHBondContact O-N 3.33Å; S23-K25 PolarHBondContact OG-N 3.06Å; K25-L27 HydrophobicContact CB-CD1 4.46Å; K25-L27 HydrophobicContact CB-CG 4.1Å; K25-L27 PolarHBondContact O-N 3.21Å |
| 26 | P | 84.9 | Confident | 92.9 | Very high | 135 Ų | 135 | 41.4 Ų | 41.4 | 88% | 0.877 | 25% | 0.248 | S | C | * | . | trans | -75.7 | 74.1 | 178.1 | 32.9 | -35.9 | 0 | 0 | 0 | 110.7 | ||||
| 27 | L | 87.7 | Confident | 93.2 | Very high | 26 Ų | 26 | 43.5 Ų | 43.5 | 14% | 0.136 | 27% | 0.266 | C | S | . | . | trans | -94 | 156.1 | 177.9 | -62.5 | 173.6 | 0 | 0 | 0 | 110.8 | M18 K25 T29 Q30 | M18-L27 HydrophobicContact CE-CD2 4.28Å; K25-L27 HydrophobicContact CB-CD1 4.46Å; K25-L27 HydrophobicContact CB-CG 4.1Å; K25-L27 PolarHBondContact O-N 3.21Å; L27-T29 VanDerWaalsContact C-N 3.26Å; L27-T29 HydrophobicContact CB-CG2 4.42Å; L27-T29 PolarHBondContact O-N 3.32Å; L27-Q30 PolarHBondContact O-NE2 3.13Å | ||
| 28 | N | 86.7 | Confident | 93.6 | Very high | 77 Ų | 77 | 46.3 Ų | 46.3 | 41% | 0.412 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -82 | 74.3 | 173.8 | -66.3 | -10.4 | 0 | 0 | 0 | 110.4 | D196 | N28-D196 HydrophobicContact CB-CB 3.83Å; N28-D196 VanDerWaalsContact CB-CG 3.45Å; N28-D196 VanDerWaalsContact CB-OD1 3.3Å; N28-D196 WeakPolarHBondContact CB-OD1 3.42Å; N28-D196 VanDerWaalsContact ND2-CG 3.34Å; N28-D196 PolarHBondContact ND2-OD2 3.4Å |
| 29 | T | 94.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 28% | 0.276 | C | S | . | . | trans | -133.6 | 39.8 | 177.8 | 56.1 | 0 | 0 | 0 | 0 | 111.7 | M18 G20 L27 N31 I32 D33 N195 D199 | M18-T29 WeakPolarHBondContact O-CG2 3.44Å; G20-T29 PolarHBondContact N-OG1 3.05Å; L27-T29 VanDerWaalsContact C-N 3.26Å; L27-T29 HydrophobicContact CB-CG2 4.42Å; L27-T29 PolarHBondContact O-N 3.32Å; T29-N31 VanDerWaalsContact C-N 3.3Å; T29-N31 PolarHBondContact O-N 3.22Å; T29-I32 HydrophobicContact CG2-CD1 4.35Å; T29-I32 PolarHBondContact O-N 2.73Å; T29-D33 VanDerWaalsContact O-CB 3.27Å; T29-D33 WeakPolarHBondContact O-CB 3.48Å; T29-D33 PolarHBondContact O-N 3.28Å; T29-D33 PolarHBondContact OG1-OD1 3.36Å; T29-D33 PolarHBondContact OG1-OD2 3.15Å; T29-N195 WeakPolarHBondContact CG2-ND2 3.41Å; T29-D199 VanDerWaalsContact C-CG 3.4Å; T29-D199 VanDerWaalsContact C-OD2 3.31Å; T29-D199 VanDerWaalsContact CA-OD1 3.28Å; T29-D199 WeakPolarHBondContact CA-OD1 3.45Å | ||
| 30 | Q | 95.6 | Very high | 94.3 | Very high | 102 Ų | 102 | 46.2 Ų | 46.2 | 48% | 0.477 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.2 | -34.4 | -169.7 | -70.1 | 83.8 | 45.9 | 0 | 0 | 113.2 | L27 S34 D199 | L27-Q30 PolarHBondContact O-NE2 3.13Å; Q30-S34 VanDerWaalsContact O-CB 3.23Å; Q30-S34 WeakPolarHBondContact O-CB 3.32Å; Q30-S34 PolarHBondContact O-N 3.34Å; Q30-D199 PolarHBondContact N-OD2 3.29Å |
| 31 | N | 97.3 | Very high | 94.4 | Very high | 40 Ų | 40 | 47.7 Ų | 47.7 | 21% | 0.214 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -73.1 | -43.4 | 180 | -64.2 | -78.9 | 0 | 0 | 0 | 111.1 | T29 D33 S34 L35 D199 G203 | T29-N31 VanDerWaalsContact C-N 3.3Å; T29-N31 PolarHBondContact O-N 3.22Å; N31-D33 VanDerWaalsContact C-N 3.35Å; N31-S34 PolarHBondContact O-N 3.39Å; N31-L35 PolarHBondContact O-N 3.47Å; N31-D199 WeakPolarHBondContact CB-O 3.48Å; N31-D199 WeakPolarHBondContact CB-OD2 3.32Å; N31-D199 PolarHBondContact N-OD1 2.72Å; N31-D199 PolarHBondContact N-OD2 3.41Å; N31-D199 PolarHBondContact ND2-O 2.83Å; N31-D199 PolarHBondContact ND2-OD2 2.86Å; N31-G203 VanDerWaalsContact CG-CA 3.43Å; N31-G203 VanDerWaalsContact OD1-CA 3.26Å; N31-G203 WeakPolarHBondContact OD1-CA 3.43Å |
| 32 | I | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 172.6 | -65.1 | 158.7 | 0 | 0 | 0 | 110.7 | V19 T29 S34 L35 A36 D199 I202 Y221 I251 | V19-I32 HydrophobicContact CG1-CB 4.36Å; V19-I32 HydrophobicContact CG1-CG2 3.47Å; V19-I32 VanDerWaalsContact CG1-CG2 3.47Å; T29-I32 HydrophobicContact CG2-CD1 4.35Å; T29-I32 PolarHBondContact O-N 2.73Å; I32-S34 VanDerWaalsContact C-N 3.34Å; I32-S34 PolarHBondContact O-N 2.77Å; I32-L35 WeakPolarHBondContact O-CB 3.15Å; I32-L35 PolarHBondContact O-N 2.96Å; I32-A36 PolarHBondContact O-N 2.9Å; I32-D199 WeakPolarHBondContact CB-OD1 3.24Å; I32-D199 HydrophobicContact CD1-CB 4.46Å; I32-D199 WeakPolarHBondContact CD1-OD1 3.31Å; I32-D199 WeakPolarHBondContact CG1-OD1 3.42Å; I32-D199 PolarHBondContact N-OD1 2.84Å; I32-I202 HydrophobicContact CD1-CD1 3.87Å; I32-I202 HydrophobicContact CG1-CD1 3.97Å; I32-I202 HydrophobicContact CG1-CG2 4.5Å; I32-Y221 HydrophobicContact CB-CE1 4.43Å; I32-Y221 HydrophobicContact CD1-CE1 4.22Å; I32-Y221 HydrophobicContact CD1-CE2 4.05Å; I32-Y221 WeakPolarHBondContact CD1-OH 3.35Å; I32-Y221 HydrophobicContact CG1-CE1 4.11Å; I32-Y221 HydrophobicContact CG1-CE2 4.1Å; I32-Y221 HydrophobicContact CG2-CD1 3.85Å; I32-Y221 HydrophobicContact CG2-CE1 3.42Å; I32-Y221 VanDerWaalsContact CG2-CE1 3.42Å; I32-I251 HydrophobicContact CG2-CD1 3.66Å |
| 33 | D | 97.7 | Very high | 94.6 | Very high | 43 Ų | 43 | 45.6 Ų | 45.6 | 23% | 0.23 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.4 | -38.8 | 179.2 | -67.7 | -17.2 | 0 | 0 | 0 | 111.6 | C21 T29 N31 A36 A37 | C21-D33 HydrophobicContact CB-CB 4.47Å; C21-D33 VanDerWaalsContact CB-OD1 3.3Å; C21-D33 WeakPolarHBondContact CB-OD1 3.43Å; C21-D33 PolarHBondContact N-OD1 3.1Å; T29-D33 VanDerWaalsContact O-CB 3.27Å; T29-D33 WeakPolarHBondContact O-CB 3.48Å; T29-D33 PolarHBondContact O-N 3.28Å; T29-D33 PolarHBondContact OG1-OD1 3.36Å; T29-D33 PolarHBondContact OG1-OD2 3.15Å; N31-D33 VanDerWaalsContact C-N 3.35Å; D33-A36 WeakPolarHBondContact O-CB 3.48Å; D33-A36 PolarHBondContact O-N 3.32Å; D33-A37 PolarHBondContact O-N 2.97Å |
| 34 | S | 96.8 | Very high | 94.8 | Very high | 61 Ų | 61 | 44.2 Ų | 44.2 | 43% | 0.427 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 173 | -172.6 | 0 | 0 | 0 | 0 | 111.4 | Q30 N31 I32 A36 A37 E38 | Q30-S34 VanDerWaalsContact O-CB 3.23Å; Q30-S34 WeakPolarHBondContact O-CB 3.32Å; Q30-S34 PolarHBondContact O-N 3.34Å; N31-S34 PolarHBondContact O-N 3.39Å; I32-S34 VanDerWaalsContact C-N 3.34Å; I32-S34 PolarHBondContact O-N 2.77Å; S34-A36 VanDerWaalsContact C-N 3.29Å; S34-A36 PolarHBondContact O-N 3.14Å; S34-A37 WeakPolarHBondContact O-CB 3.4Å; S34-A37 PolarHBondContact O-N 2.94Å; S34-E38 PolarHBondContact O-N 3.46Å; S34-E38 VanDerWaalsContact O-N 3.14Å |
| 35 | L | 97.3 | Very high | 95.2 | Very high | 7 Ų | 7 | 40.7 Ų | 40.7 | 4% | 0.037 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.7 | -40.4 | 174.5 | -175.5 | 66.3 | 0 | 0 | 0 | 111.6 | N31 I32 A37 E38 G39 I206 V219 Y221 I251 R253 | N31-L35 PolarHBondContact O-N 3.47Å; I32-L35 WeakPolarHBondContact O-CB 3.15Å; I32-L35 PolarHBondContact O-N 2.96Å; L35-A37 VanDerWaalsContact C-N 3.35Å; L35-E38 PolarHBondContact O-N 3Å; L35-G39 WeakPolarHBondContact O-CA 3.23Å; L35-G39 PolarHBondContact O-N 2.97Å; L35-I206 HydrophobicContact CD1-CD1 4.39Å; L35-I206 HydrophobicContact CD2-CD1 4.16Å; L35-V219 HydrophobicContact CD1-CB 4.13Å; L35-V219 HydrophobicContact CD1-CG1 3.93Å; L35-V219 HydrophobicContact CD2-CG1 4.11Å; L35-Y221 HydrophobicContact CD2-CG 4.46Å; L35-I251 HydrophobicContact CD2-CB 4.4Å; L35-I251 HydrophobicContact CD2-CG2 4.15Å; L35-I251 HydrophobicContact CG-CG2 3.8Å; L35-R253 HydrophobicContact CD1-CB 3.55Å; L35-R253 HydrophobicContact CD1-CG 4.14Å; L35-R253 HydrophobicContact CG-CB 4.5Å |
| 36 | A | 97.5 | Very high | 95.7 | Very high | 12 Ų | 12 | 34.8 Ų | 34.8 | 10% | 0.099 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.3 | -34.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | C21 I32 D33 S34 E38 G39 I251 | C21-A36 HydrophobicContact CB-CB 4.02Å; I32-A36 PolarHBondContact O-N 2.9Å; D33-A36 WeakPolarHBondContact O-CB 3.48Å; D33-A36 PolarHBondContact O-N 3.32Å; S34-A36 VanDerWaalsContact C-N 3.29Å; S34-A36 PolarHBondContact O-N 3.14Å; A36-E38 VanDerWaalsContact C-N 3.29Å; A36-E38 PolarHBondContact O-N 3.26Å; A36-G39 PolarHBondContact O-N 2.96Å; A36-I251 HydrophobicContact CB-CD1 3.66Å; A36-I251 HydrophobicContact CB-CG1 4.2Å; A36-I251 HydrophobicContact CB-CG2 4.5Å |
| 37 | A | 97.3 | Very high | 96.3 | Very high | 54 Ų | 54 | 28.4 Ų | 28.4 | 45% | 0.446 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -68.9 | -28.9 | -180 | 0 | 0 | 0 | 0 | 0 | 112.7 | D33 S34 L35 R259 | D33-A37 PolarHBondContact O-N 2.97Å; S34-A37 WeakPolarHBondContact O-CB 3.4Å; S34-A37 PolarHBondContact O-N 2.94Å; L35-A37 VanDerWaalsContact C-N 3.35Å; A37-R259 WeakPolarHBondContact O-CB 3.5Å; A37-R259 WeakPolarHBondContact O-CG 3.37Å |
| 38 | E | 96.5 | Very high | 96.7 | Very high | 98 Ų | 98 | 27.1 Ų | 27.1 | 46% | 0.458 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -99.3 | -2.9 | 176.8 | -63.6 | -173.2 | -172.7 | 0 | 0 | 114 | S34 L35 A36 R253 G257 E258 | S34-E38 PolarHBondContact O-N 3.46Å; S34-E38 VanDerWaalsContact O-N 3.14Å; L35-E38 PolarHBondContact O-N 3Å; A36-E38 VanDerWaalsContact C-N 3.29Å; A36-E38 PolarHBondContact O-N 3.26Å; E38-R253 HydrophobicContact CB-CG 4.47Å; E38-R253 IonicContact OE2-NE 2.75Å; E38-R253 PolarHBondContact OE2-NE 3.09Å; E38-R253 IonicContact OE2-NH2 2.72Å; E38-G257 CarbonylContact O-C 3.57Å; E38-G257 WeakPolarHBondContact O-CA 3.48Å; E38-E258 PolarHBondContact O-N 2.99Å |
| 39 | G | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -131 | -173.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L35 A36 E258 R260 | L35-G39 WeakPolarHBondContact O-CA 3.23Å; L35-G39 PolarHBondContact O-N 2.97Å; A36-G39 PolarHBondContact O-N 2.96Å; G39-E258 CarbonylContact C-O 3.48Å; G39-E258 WeakPolarHBondContact CA-O 3.22Å; G39-R260 PolarHBondContact O-N 2.87Å |
| 40 | I | 98.2 | Very high | 97.1 | Very high | 4 Ų | 4 | 23.6 Ų | 23.6 | 2% | 0.021 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 113.6 | 177 | -48.8 | 176.7 | 0 | 0 | 0 | 107.7 | F42 I251 I252 E258 R260 V262 L293 | I40-F42 HydrophobicContact CB-CE2 4.04Å; I40-F42 HydrophobicContact CG2-CD2 4.24Å; I40-F42 HydrophobicContact CG2-CE2 3.66Å; I40-F42 HydrophobicContact CG2-CZ 3.84Å; I40-I251 WeakPolarHBondContact O-CA 3.48Å; I40-I252 PolarHBondContact N-O 3.3Å; I40-I252 PolarHBondContact O-N 2.85Å; I40-E258 HydrophobicContact CG1-CB 4.43Å; I40-E258 PolarHBondContact N-O 2.72Å; I40-R260 WeakPolarHBondContact CA-O 3.13Å; I40-R260 HydrophobicContact CG1-CB 4.28Å; I40-R260 HydrophobicContact CG2-CB 4.32Å; I40-R260 HydrophobicContact CG2-CG 4.4Å; I40-V262 HydrophobicContact CG2-CG2 3.71Å; I40-L293 HydrophobicContact CD1-CD2 3.69Å |
| 41 | R | 98.1 | Very high | 96.9 | Very high | 39 Ų | 39 | 18.8 Ų | 18.8 | 15% | 0.147 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 124.7 | 173.9 | -175.3 | 174.2 | 67.5 | 109.4 | -4 | 110.2 | C21 Y22 N43 R260 Q261 V262 | C21-R41 VanDerWaalsContact O-CZ 3.26Å; C21-R41 PolarHBondContact O-NH1 3.09Å; Y22-R41 HydrophobicContact CD1-CG 4.49Å; Y22-R41 HydrophobicContact CE1-CG 3.69Å; Y22-R41 HydrophobicContact CE2-CG 4.35Å; Y22-R41 WeakPolarHBondContact OH-CG 3.15Å; R41-N43 PolarHBondContact NE-OD1 3.13Å; R41-N43 PolarHBondContact NH1-OD1 2.85Å; R41-N43 PolarHBondContact NH2-OD1 3.29Å; R41-R260 PolarHBondContact N-O 2.72Å; R41-Q261 CarbonylContact O-C 3.49Å; R41-Q261 WeakPolarHBondContact O-CA 3.38Å; R41-V262 PolarHBondContact O-N 3.48Å |
| 42 | F | 98 | Very high | 96.6 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 0% | 0.004 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 109.2 | 178.2 | -66.6 | -99.4 | 0 | 0 | 0 | 110.2 | Y22 I40 S44 A45 L250 I252 V262 V266 I292 L293 | Y22-F42 WeakPolarHBondContact CE1-O 3.25Å; I40-F42 HydrophobicContact CB-CE2 4.04Å; I40-F42 HydrophobicContact CG2-CD2 4.24Å; I40-F42 HydrophobicContact CG2-CE2 3.66Å; I40-F42 HydrophobicContact CG2-CZ 3.84Å; F42-S44 VanDerWaalsContact C-N 3.27Å; F42-S44 PolarHBondContact O-N 2.88Å; F42-A45 HydrophobicContact CB-CB 4.15Å; F42-L250 HydrophobicContact CB-CB 4.13Å; F42-L250 HydrophobicContact CB-CD2 4.12Å; F42-L250 HydrophobicContact CB-CG 4.21Å; F42-L250 HydrophobicContact CD1-CD2 4.49Å; F42-L250 HydrophobicContact CD2-CB 4.48Å; F42-L250 HydrophobicContact CD2-CD2 3.94Å; F42-L250 HydrophobicContact CD2-CG 3.79Å; F42-L250 HydrophobicContact CE2-CG 4.48Å; F42-L250 HydrophobicContact CG-CD2 3.93Å; F42-L250 HydrophobicContact CG-CG 4.16Å; F42-L250 PolarHBondContact N-O 2.95Å; F42-I252 HydrophobicContact CE2-CB 4.16Å; F42-I252 HydrophobicContact CE2-CD1 3.82Å; F42-I252 HydrophobicContact CE2-CG1 3.85Å; F42-I252 HydrophobicContact CZ-CD1 4.16Å; F42-V262 CarbonylContact C-O 3.48Å; F42-V262 WeakPolarHBondContact CA-O 3.41Å; F42-V262 HydrophobicContact CD1-CB 3.76Å; F42-V262 HydrophobicContact CD1-CG1 3.85Å; F42-V262 HydrophobicContact CD1-CG2 4.4Å; F42-V262 HydrophobicContact CE1-CB 3.98Å; F42-V262 HydrophobicContact CE1-CG1 3.99Å; F42-V262 HydrophobicContact CE1-CG2 4.16Å; F42-V262 HydrophobicContact CG-CB 4.42Å; F42-V266 HydrophobicContact CB-CG2 4.27Å; F42-V266 HydrophobicContact CD1-CG1 4.11Å; F42-V266 HydrophobicContact CD1-CG2 3.88Å; F42-V266 HydrophobicContact CE1-CG1 4.33Å; F42-V266 HydrophobicContact CG-CG2 4.32Å; F42-I292 HydrophobicContact CD1-CD1 4.35Å; F42-I292 HydrophobicContact CE1-CB 4.21Å; F42-I292 HydrophobicContact CE1-CD1 3.71Å; F42-I292 HydrophobicContact CE1-CG1 3.95Å; F42-I292 HydrophobicContact CE2-CD1 4.25Å; F42-I292 HydrophobicContact CZ-CD1 3.64Å; F42-I292 HydrophobicContact CZ-CG1 3.91Å; F42-L293 HydrophobicContact CZ-CD2 4.2Å |
| 43 | N | 96.7 | Very high | 96.2 | Very high | 27 Ų | 27 | 17.1 Ų | 17.1 | 14% | 0.144 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -12.6 | -174.6 | -65.6 | -29.3 | 0 | 0 | 0 | 113.5 | R41 Q261 V262 D263 | R41-N43 PolarHBondContact NE-OD1 3.13Å; R41-N43 PolarHBondContact NH1-OD1 2.85Å; R41-N43 PolarHBondContact NH2-OD1 3.29Å; N43-Q261 PolarHBondContact ND2-OE1 3.13Å; N43-V262 PolarHBondContact N-O 3.17Å; N43-D263 VanDerWaalsContact CB-OD1 3.31Å; N43-D263 WeakPolarHBondContact CB-OD1 3.29Å; N43-D263 PolarHBondContact ND2-OD1 3.43Å |
| 44 | S | 96.9 | Very high | 96 | Very high | 4 Ų | 4 | 15.1 Ų | 15.1 | 3% | 0.028 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -132.5 | 47 | -176.9 | -167 | 0 | 0 | 0 | 0 | 111.8 | F42 Y46 D263 P265 V266 R344 | F42-S44 VanDerWaalsContact C-N 3.27Å; F42-S44 PolarHBondContact O-N 2.88Å; S44-Y46 WeakPolarHBondContact O-CD2 3.5Å; S44-Y46 WeakPolarHBondContact OG-CE2 3.33Å; S44-D263 WeakPolarHBondContact CB-O 3.27Å; S44-P265 VanDerWaalsContact O-CA 3.29Å; S44-P265 WeakPolarHBondContact O-CA 3.46Å; S44-V266 PolarHBondContact O-N 2.97Å; S44-R344 PolarHBondContact OG-NH1 2.91Å; S44-R344 PolarHBondContact OG-NH2 3.46Å |
| 45 | A | 98.2 | Very high | 96 | Very high | 1 Ų | 1 | 12.2 Ų | 12.2 | 1% | 0.008 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 135.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F42 R247 I248 L250 V266 | F42-A45 HydrophobicContact CB-CB 4.15Å; A45-R247 WeakPolarHBondContact O-CA 3.41Å; A45-R247 WeakPolarHBondContact O-CG 3.42Å; A45-I248 HydrophobicContact CB-CD1 4.23Å; A45-I248 HydrophobicContact CB-CG1 4.15Å; A45-I248 WeakPolarHBondContact O-CG1 3.47Å; A45-I248 PolarHBondContact O-N 3.03Å; A45-L250 HydrophobicContact CB-CB 3.46Å; A45-L250 VanDerWaalsContact CB-CB 3.46Å; A45-L250 HydrophobicContact CB-CD2 3.8Å; A45-L250 HydrophobicContact CB-CG 4.28Å; A45-V266 WeakPolarHBondContact CA-O 3.46Å; A45-V266 HydrophobicContact CB-CG2 3.67Å |
| 46 | Y | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 136.6 | -174.9 | -75 | -82.8 | 0 | 0 | 0 | 112.4 | S44 D243 T246 R247 V266 S267 H268 V301 V303 V325 R344 | S44-Y46 WeakPolarHBondContact O-CD2 3.5Å; S44-Y46 WeakPolarHBondContact OG-CE2 3.33Å; Y46-D243 WeakPolarHBondContact CE1-OD1 3.01Å; Y46-D243 PolarHBondContact OH-OD1 3.29Å; Y46-D243 PolarHBondContact OH-OD2 3.31Å; Y46-T246 WeakPolarHBondContact CA-O 3.39Å; Y46-T246 WeakPolarHBondContact CD1-O 3.47Å; Y46-R247 HydrophobicContact CD1-CB 4.36Å; Y46-R247 HydrophobicContact CE1-CB 3.84Å; Y46-R247 HydrophobicContact CE1-CG 4.41Å; Y46-V266 PolarHBondContact N-O 2.94Å; Y46-S267 CarbonylContact O-C 3.59Å; Y46-S267 VanDerWaalsContact O-CA 3.31Å; Y46-S267 WeakPolarHBondContact O-CA 3.25Å; Y46-H268 PolarHBondContact O-N 3.3Å; Y46-V301 HydrophobicContact CD2-CG2 3.8Å; Y46-V301 HydrophobicContact CG-CG2 4.21Å; Y46-V303 HydrophobicContact CD1-CG2 4.06Å; Y46-V303 HydrophobicContact CG-CG2 4.34Å; Y46-V325 HydrophobicContact CD1-CG2 4.18Å; Y46-V325 HydrophobicContact CD2-CB 4.4Å; Y46-V325 HydrophobicContact CD2-CG1 4.35Å; Y46-V325 HydrophobicContact CD2-CG2 4.43Å; Y46-V325 HydrophobicContact CE1-CG1 4.38Å; Y46-V325 HydrophobicContact CE1-CG2 3.99Å; Y46-V325 HydrophobicContact CE2-CB 4.06Å; Y46-V325 HydrophobicContact CE2-CG1 3.54Å; Y46-V325 HydrophobicContact CE2-CG2 4.23Å; Y46-V325 HydrophobicContact CG-CG2 4.42Å; Y46-R344 VanDerWaalsContact OH-CZ 3.3Å; Y46-R344 PolarHBondContact OH-NE 2.87Å; Y46-R344 PolarHBondContact OH-NH2 2.79Å |
| 47 | T | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.063 | C | C | . | . | trans | -62.3 | 152.9 | 165.2 | -171.6 | 0 | 0 | 0 | 0 | 109.8 | S49 P50 D224 H225 T246 V303 | T47-S49 VanDerWaalsContact C-N 3.31Å; T47-S49 PolarHBondContact OG1-N 3.12Å; T47-S49 PolarHBondContact OG1-O 3.34Å; T47-S49 VanDerWaalsContact OG1-O 3.08Å; T47-P50 HydrophobicContact CG2-CB 4.4Å; T47-D224 WeakPolarHBondContact CB-O 3.22Å; T47-D224 PolarHBondContact OG1-O 3.42Å; T47-H225 HydrophobicContact CG2-CB 4.04Å; T47-T246 PolarHBondContact N-O 2.75Å; T47-V303 HydrophobicContact CG2-CG1 4.32Å; T47-V303 WeakPolarHBondContact O-CG2 3.4Å | ||
| 48 | C | 96.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 4% | 0.042 | C | C | . | . | S | Bend | trans | -74.9 | -24.6 | 172.6 | 64.8 | 0 | 0 | 0 | 0 | 112.3 | P54 A55 G58 Y64 I269 E304 | C48-P54 PolarHBondContact SG-O 3.48Å; C48-A55 PolarHBondContact SG-O 2.89Å; C48-A55 VanDerWaalsContact SG-O 3.42Å; C48-G58 VanDerWaalsContact SG-CA 3.51Å; C48-Y64 HydrophobicContact CB-CD1 4.09Å; C48-Y64 HydrophobicContact CB-CE1 3.96Å; C48-I269 HydrophobicContact CB-CG2 4.03Å; C48-E304 WeakPolarHBondContact O-CG 3.1Å; C48-E304 PolarHBondContact O-N 2.57Å |
| 49 | S | 95.6 | Very high | 95.6 | Very high | 3 Ų | 3 | 4.1 Ų | 4.1 | 2% | 0.021 | 2% | 0.02 | C | C | . | . | S | Bend | trans | -159.9 | 134.8 | 176.9 | -171.6 | 0 | 0 | 0 | 0 | 110.6 | T47 V51 P54 A55 E304 | T47-S49 VanDerWaalsContact C-N 3.31Å; T47-S49 PolarHBondContact OG1-N 3.12Å; T47-S49 PolarHBondContact OG1-O 3.34Å; T47-S49 VanDerWaalsContact OG1-O 3.08Å; S49-V51 PolarHBondContact O-N 2.73Å; S49-P54 WeakPolarHBondContact OG-CB 3.39Å; S49-A55 VanDerWaalsContact O-CB 3.28Å; S49-A55 WeakPolarHBondContact O-CB 3.49Å; S49-E304 VanDerWaalsContact CA-O 3.25Å; S49-E304 WeakPolarHBondContact CA-O 3.5Å; S49-E304 WeakPolarHBondContact CB-O 3.43Å; S49-E304 PolarHBondContact OG-O 3.39Å |
| 50 | P | 94.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 4.3 Ų | 4.3 | 0% | 0 | 2% | 0.021 | C | C | . | . | S | Bend | trans | -82.8 | 50.6 | -173.2 | 35.1 | -36.4 | 0 | 0 | 0 | 112.8 | T47 K237 M241 I245 T246 E304 F305 | T47-P50 HydrophobicContact CG2-CB 4.4Å; P50-K237 VanDerWaalsContact O-CB 3.32Å; P50-K237 WeakPolarHBondContact O-CB 3.12Å; P50-M241 HydrophobicContact CG-CE 4.22Å; P50-I245 HydrophobicContact CB-CB 4.07Å; P50-I245 HydrophobicContact CB-CD1 3.8Å; P50-I245 HydrophobicContact CB-CG1 4.01Å; P50-I245 HydrophobicContact CG-CD1 4.07Å; P50-T246 HydrophobicContact CB-CG2 4.17Å; P50-T246 HydrophobicContact CG-CG2 4.3Å; P50-E304 WeakPolarHBondContact CD-O 2.88Å; P50-F305 HydrophobicContact CG-CD2 4.14Å |
| 51 | V | 90.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 4.1 Ų | 4.1 | 1% | 0.006 | 2% | 0.02 | C | C | . | . | S | Bend | trans | -148.7 | 139.7 | 178 | -174.6 | 0 | 0 | 0 | 0 | 108.8 | S49 T53 P54 A55 N73 H225 F305 | S49-V51 PolarHBondContact O-N 2.73Å; V51-T53 PolarHBondContact O-N 3.44Å; V51-P54 HydrophobicContact CB-CB 4.42Å; V51-P54 HydrophobicContact CB-CG 3.86Å; V51-P54 HydrophobicContact CG1-CG 4.12Å; V51-P54 WeakPolarHBondContact O-CD 3.49Å; V51-A55 WeakPolarHBondContact O-CB 3.2Å; V51-A55 PolarHBondContact O-N 2.8Å; V51-N73 WeakPolarHBondContact CG1-OD1 3.35Å; V51-H225 VanDerWaalsContact C-NE2 3.33Å; V51-H225 PolarHBondContact N-CD2 3.22Å; V51-F305 HydrophobicContact CG2-CD2 3.88Å; V51-F305 HydrophobicContact CG2-CE2 3.5Å; V51-F305 VanDerWaalsContact CG2-CE2 3.5Å |
| 52 | C | 89.9 | Confident | 95.3 | Very high | 4 Ų | 4 | 2.2 Ų | 2.2 | 3% | 0.027 | 1% | 0.013 | C | C | . | . | H | α-helix | trans | -51.8 | -59.1 | -166.7 | -52 | 0 | 0 | 0 | 0 | 113.7 | A55 R56 H225 | C52-A55 PolarHBondContact O-N 3.05Å; C52-R56 VanDerWaalsContact O-CB 3.32Å; C52-R56 WeakPolarHBondContact O-CB 3.49Å; C52-R56 WeakPolarHBondContact O-CD 3.25Å; C52-R56 WeakPolarHBondContact O-CG 3.14Å; C52-R56 PolarHBondContact O-N 3.09Å; C52-H225 WeakPolarHBondContact CA-NE2 3.23Å; C52-H225 PolarHBondContact N-CD2 2.89Å; C52-H225 VanDerWaalsContact N-CD2 3.29Å; C52-H225 PolarHBondContact N-NE2 3.45Å; C52-H225 PolarHBondContact SG-NE2 3Å |
| 53 | T | 91 | Very high | 95.2 | Very high | 1 Ų | 1 | 2.7 Ų | 2.7 | 1% | 0.006 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -65.4 | -50.9 | -177.6 | -57.5 | 0 | 0 | 0 | 0 | 111.2 | V51 A55 R56 A57 P70 N73 N74 V75 H102 L103 | V51-T53 PolarHBondContact O-N 3.44Å; T53-A55 PolarHBondContact O-N 3.11Å; T53-R56 PolarHBondContact O-N 3.41Å; T53-A57 VanDerWaalsContact O-CB 3.26Å; T53-A57 WeakPolarHBondContact O-CB 3.3Å; T53-A57 PolarHBondContact O-N 2.96Å; T53-P70 HydrophobicContact CG2-CB 3.51Å; T53-P70 HydrophobicContact CG2-CG 4.46Å; T53-N73 VanDerWaalsContact CB-OD1 3.3Å; T53-N73 WeakPolarHBondContact CB-OD1 3.4Å; T53-N73 PolarHBondContact N-OD1 2.77Å; T53-N73 VanDerWaalsContact OG1-CA 3.28Å; T53-N73 WeakPolarHBondContact OG1-CA 3.5Å; T53-N73 PolarHBondContact OG1-OD1 2.88Å; T53-N74 PolarHBondContact OG1-N 3.41Å; T53-V75 WeakPolarHBondContact CG2-O 3.28Å; T53-H102 WeakPolarHBondContact CG2-O 3.36Å; T53-H102 PolarHBondContact OG1-CD2 2.79Å; T53-H102 PolarHBondContact OG1-NE2 2.93Å; T53-H102 VanDerWaalsContact OG1-NE2 3.1Å; T53-H102 PolarHBondContact OG1-O 3.01Å; T53-L103 HydrophobicContact CG2-CD2 3.74Å; T53-L103 WeakPolarHBondContact O-CD2 3.32Å |
| 54 | P | 93.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 1.4 Ų | 1.4 | 1% | 0.006 | 1% | 0.008 | C | C | . | . | H | α-helix | trans | -56.2 | -42.4 | 175 | -28.1 | 35.8 | 0 | 0 | 0 | 114.7 | C48 S49 V51 A57 G58 A65 P70 | C48-P54 PolarHBondContact SG-O 3.48Å; S49-P54 WeakPolarHBondContact OG-CB 3.39Å; V51-P54 HydrophobicContact CB-CB 4.42Å; V51-P54 HydrophobicContact CB-CG 3.86Å; V51-P54 HydrophobicContact CG1-CG 4.12Å; V51-P54 WeakPolarHBondContact O-CD 3.49Å; P54-A57 PolarHBondContact O-N 3.37Å; P54-G58 PolarHBondContact O-N 3.42Å; P54-A65 HydrophobicContact CB-CB 3.73Å; P54-P70 WeakPolarHBondContact CA-O 3.41Å; P54-P70 VanDerWaalsContact CG-O 3.3Å; P54-P70 WeakPolarHBondContact CG-O 3.24Å |
| 55 | A | 95.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 1.2 Ų | 1.2 | 0% | 0 | 1% | 0.007 | C | C | . | . | H | α-helix | trans | -59.3 | -53.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | C48 S49 V51 C52 T53 A57 G58 L59 D224 | C48-A55 PolarHBondContact SG-O 2.89Å; C48-A55 VanDerWaalsContact SG-O 3.42Å; S49-A55 VanDerWaalsContact O-CB 3.28Å; S49-A55 WeakPolarHBondContact O-CB 3.49Å; V51-A55 WeakPolarHBondContact O-CB 3.2Å; V51-A55 PolarHBondContact O-N 2.8Å; C52-A55 PolarHBondContact O-N 3.05Å; T53-A55 PolarHBondContact O-N 3.11Å; A55-A57 VanDerWaalsContact C-N 3.29Å; A55-A57 PolarHBondContact O-N 3.46Å; A55-G58 PolarHBondContact O-N 3Å; A55-L59 WeakPolarHBondContact O-CB 3.49Å; A55-L59 PolarHBondContact O-N 3.01Å; A55-D224 HydrophobicContact CB-CB 3.94Å; A55-D224 WeakPolarHBondContact CB-O 3.46Å |
| 56 | R | 94.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 1.5 Ų | 1.5 | 0% | 0 | 1% | 0.008 | C | C | . | . | H | α-helix | trans | -62.3 | -38.5 | 179 | -70.3 | 165.8 | -179 | -88.4 | -5.1 | 111 | M10 D12 C52 T53 G58 L59 F60 K100 L103 S148 D224 | M10-R56 HydrophobicContact CE-CG 4.21Å; D12-R56 IonicContact OD1-CZ 3.53Å; D12-R56 IonicContact OD1-NE 3.56Å; D12-R56 IonicContact OD1-NH2 3.84Å; D12-R56 PolarHBondContact OD1-NH2 3.41Å; C52-R56 VanDerWaalsContact O-CB 3.32Å; C52-R56 WeakPolarHBondContact O-CB 3.49Å; C52-R56 WeakPolarHBondContact O-CD 3.25Å; C52-R56 WeakPolarHBondContact O-CG 3.14Å; C52-R56 PolarHBondContact O-N 3.09Å; T53-R56 PolarHBondContact O-N 3.41Å; R56-G58 PolarHBondContact O-N 3.31Å; R56-L59 PolarHBondContact O-N 2.83Å; R56-F60 HydrophobicContact CB-CD2 4.17Å; R56-F60 HydrophobicContact CB-CE2 4.27Å; R56-F60 HydrophobicContact CG-CE2 4.46Å; R56-F60 WeakPolarHBondContact O-CB 3.28Å; R56-F60 WeakPolarHBondContact O-CD2 3.14Å; R56-F60 PolarHBondContact O-N 3Å; R56-K100 PolarHBondContact NH1-O 3.36Å; R56-L103 HydrophobicContact CB-CD1 4.21Å; R56-L103 HydrophobicContact CB-CD2 4.21Å; R56-L103 HydrophobicContact CB-CG 4.16Å; R56-S148 PolarHBondContact NH1-OG 2.89Å; R56-D224 HydrophobicContact CG-CB 3.99Å; R56-D224 IonicContact CZ-OD2 3.13Å; R56-D224 IonicContact NE-OD2 3.68Å; R56-D224 PolarHBondContact NE-OD2 2.84Å; R56-D224 IonicContact NH2-OD2 3.95Å |
| 57 | A | 94.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 3.2 Ų | 3.2 | 0% | 0 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -59.9 | -48.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | T53 P54 A55 T61 P70 L103 | T53-A57 VanDerWaalsContact O-CB 3.26Å; T53-A57 WeakPolarHBondContact O-CB 3.3Å; T53-A57 PolarHBondContact O-N 2.96Å; P54-A57 PolarHBondContact O-N 3.37Å; A55-A57 VanDerWaalsContact C-N 3.29Å; A55-A57 PolarHBondContact O-N 3.46Å; A57-T61 VanDerWaalsContact O-CB 3.26Å; A57-T61 WeakPolarHBondContact O-CB 3.47Å; A57-T61 VanDerWaalsContact O-CG2 3.25Å; A57-T61 WeakPolarHBondContact O-CG2 3.44Å; A57-T61 PolarHBondContact O-N 3.37Å; A57-T61 PolarHBondContact O-OG1 2.89Å; A57-P70 HydrophobicContact CB-CB 3.87Å; A57-P70 HydrophobicContact CB-CG 3.73Å; A57-L103 HydrophobicContact CB-CD2 3.79Å |
| 58 | G | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 3.3 Ų | 3.3 | 0% | 0 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -69.3 | -36.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | C48 P54 A55 R56 G62 I63 | C48-G58 VanDerWaalsContact SG-CA 3.51Å; P54-G58 PolarHBondContact O-N 3.42Å; A55-G58 PolarHBondContact O-N 3Å; R56-G58 PolarHBondContact O-N 3.31Å; G58-G62 VanDerWaalsContact O-CA 3.31Å; G58-G62 WeakPolarHBondContact O-CA 3.17Å; G58-G62 PolarHBondContact O-N 2.88Å; G58-I63 WeakPolarHBondContact CA-O 3.45Å |
| 59 | L | 96.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 4.5 Ų | 4.5 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -60.5 | -51.1 | 173.7 | 176.8 | 60.5 | 0 | 0 | 0 | 112.1 | F8 M10 A55 R56 T222 H268 L271 | F8-L59 HydrophobicContact CE1-CD2 4.04Å; F8-L59 HydrophobicContact CE2-CD1 4.38Å; F8-L59 HydrophobicContact CZ-CD1 3.77Å; F8-L59 HydrophobicContact CZ-CD2 3.99Å; F8-L59 HydrophobicContact CZ-CG 4.3Å; M10-L59 HydrophobicContact CE-CD2 3.88Å; M10-L59 HydrophobicContact SD-CD2 3.87Å; A55-L59 WeakPolarHBondContact O-CB 3.49Å; A55-L59 PolarHBondContact O-N 3.01Å; R56-L59 PolarHBondContact O-N 2.83Å; L59-T222 HydrophobicContact CD2-CG2 4.43Å; L59-H268 HydrophobicContact CB-CB 4.34Å; L59-H268 HydrophobicContact CD1-CB 4.14Å; L59-L271 HydrophobicContact CD1-CB 4.28Å; L59-L271 HydrophobicContact CD1-CD1 3.53Å; L59-L271 HydrophobicContact CD1-CG 4.47Å |
| 60 | F | 95.9 | Very high | 93.3 | Very high | 4 Ų | 4 | 4.4 Ų | 4.4 | 2% | 0.018 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -85 | -17.8 | -173.4 | -68.4 | -59.4 | 0 | 0 | 0 | 113.9 | M10 R56 T83 M84 Y97 W101 L103 V146 | M10-F60 HydrophobicContact SD-CE2 3.9Å; M10-F60 HydrophobicContact SD-CZ 3.5Å; M10-F60 WeakPolarHBondContact SD-CZ 3.28Å; R56-F60 HydrophobicContact CB-CD2 4.17Å; R56-F60 HydrophobicContact CB-CE2 4.27Å; R56-F60 HydrophobicContact CG-CE2 4.46Å; R56-F60 WeakPolarHBondContact O-CB 3.28Å; R56-F60 WeakPolarHBondContact O-CD2 3.14Å; R56-F60 PolarHBondContact O-N 3Å; F60-T83 CarbonylContact O-C 3.44Å; F60-T83 VanDerWaalsContact O-CA 3.23Å; F60-T83 WeakPolarHBondContact O-CA 3.36Å; F60-M84 HydrophobicContact CD1-CE 4.43Å; F60-M84 HydrophobicContact CD1-SD 4.4Å; F60-M84 PolarHBondContact O-N 3.41Å; F60-Y97 AromaticContact CE1-CE2 3.91Å; F60-Y97 HydrophobicContact CE1-CE2 3.91Å; F60-Y97 HydrophobicContact CE2-CE2 4.06Å; F60-Y97 AromaticContact CZ-CE2 3.55Å; F60-Y97 HydrophobicContact CZ-CE2 3.55Å; F60-W101 HydrophobicContact CB-CH2 4.35Å; F60-W101 HydrophobicContact CD1-CZ3 4.43Å; F60-W101 HydrophobicContact CD2-CH2 4.34Å; F60-W101 AromaticContact CD2-CZ3 3.78Å; F60-W101 HydrophobicContact CD2-CZ3 3.78Å; F60-W101 HydrophobicContact CE2-CZ3 4.08Å; F60-W101 HydrophobicContact CG-CH2 4.3Å; F60-W101 AromaticContact CG-CZ3 3.99Å; F60-W101 HydrophobicContact CG-CZ3 3.99Å; F60-L103 HydrophobicContact CB-CD1 4.28Å; F60-L103 HydrophobicContact CD2-CD1 3.89Å; F60-V146 HydrophobicContact CE1-CG1 3.93Å; F60-V146 HydrophobicContact CE1-CG2 4.28Å; F60-V146 HydrophobicContact CZ-CG1 3.98Å |
| 61 | T | 95.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -102.6 | -17.5 | 176.9 | 67.5 | 0 | 0 | 0 | 0 | 112.8 | A57 I63 I81 T83 L287 | A57-T61 VanDerWaalsContact O-CB 3.26Å; A57-T61 WeakPolarHBondContact O-CB 3.47Å; A57-T61 VanDerWaalsContact O-CG2 3.25Å; A57-T61 WeakPolarHBondContact O-CG2 3.44Å; A57-T61 PolarHBondContact O-N 3.37Å; A57-T61 PolarHBondContact O-OG1 2.89Å; T61-I63 PolarHBondContact O-N 2.88Å; T61-I63 WeakPolarHBondContact OG1-CG1 3.34Å; T61-I63 PolarHBondContact OG1-N 3.38Å; T61-I63 PolarHBondContact OG1-O 2.86Å; T61-I81 HydrophobicContact CG2-CG2 3.51Å; T61-T83 HydrophobicContact CG2-CG2 4.36Å; T61-L287 VanDerWaalsContact O-CD2 3.31Å; T61-L287 WeakPolarHBondContact O-CD2 3.25Å |
| 62 | G | 96.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.042 | C | C | . | . | S | Bend | trans | 70.1 | 10.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | G58 P288 | G58-G62 VanDerWaalsContact O-CA 3.31Å; G58-G62 WeakPolarHBondContact O-CA 3.17Å; G58-G62 PolarHBondContact O-N 2.88Å; G62-P288 WeakPolarHBondContact O-CD 3.08Å |
| 63 | I | 94.8 | Very high | 92.5 | Very high | 10 Ų | 10 | 8.5 Ų | 8.5 | 5% | 0.051 | 5% | 0.045 | C | C | . | . | S | Bend | trans | -131.4 | 155.8 | 177.7 | 57.8 | 171 | 0 | 0 | 0 | 109.9 | G58 T61 Q67 I81 I286 L287 | G58-I63 WeakPolarHBondContact CA-O 3.45Å; T61-I63 PolarHBondContact O-N 2.88Å; T61-I63 WeakPolarHBondContact OG1-CG1 3.34Å; T61-I63 PolarHBondContact OG1-N 3.38Å; T61-I63 PolarHBondContact OG1-O 2.86Å; I63-Q67 HydrophobicContact CD1-CB 4.09Å; I63-I81 HydrophobicContact CD1-CD1 4.08Å; I63-I81 HydrophobicContact CD1-CG2 4.11Å; I63-I286 HydrophobicContact CG2-CG1 4.39Å; I63-I286 WeakPolarHBondContact CG2-O 3.28Å; I63-L287 HydrophobicContact CG2-CD2 4.1Å |
| 64 | Y | 95.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.05 | C | C | . | . | trans | -63 | 152.4 | -176.4 | -75 | -81.1 | 0 | 0 | 0 | 113 | C48 N66 Q67 S68 I269 M302 E304 Y374 I378 | C48-Y64 HydrophobicContact CB-CD1 4.09Å; C48-Y64 HydrophobicContact CB-CE1 3.96Å; Y64-N66 PolarHBondContact O-N 3.22Å; Y64-Q67 WeakPolarHBondContact O-CA 3.31Å; Y64-Q67 WeakPolarHBondContact O-CB 3.35Å; Y64-Q67 PolarHBondContact O-N 3.24Å; Y64-S68 PolarHBondContact O-N 3.29Å; Y64-S68 PolarHBondContact O-OG 3.33Å; Y64-I269 HydrophobicContact CD2-CD1 4.48Å; Y64-I269 HydrophobicContact CE2-CD1 3.56Å; Y64-M302 HydrophobicContact CD1-CE 3.75Å; Y64-M302 HydrophobicContact CD2-CE 3.9Å; Y64-M302 HydrophobicContact CE1-CB 4.45Å; Y64-M302 HydrophobicContact CE1-CE 3.57Å; Y64-M302 WeakPolarHBondContact CE1-O 3.48Å; Y64-M302 HydrophobicContact CE2-CE 3.72Å; Y64-M302 HydrophobicContact CG-CE 3.9Å; Y64-M302 WeakPolarHBondContact OH-CB 3.49Å; Y64-M302 PolarHBondContact OH-O 2.87Å; Y64-E304 WeakPolarHBondContact CB-OE1 3.15Å; Y64-E304 HydrophobicContact CD1-CG 3.92Å; Y64-Y374 AromaticContact CE2-CE1 3.84Å; Y64-Y374 HydrophobicContact CE2-CE1 3.84Å; Y64-I378 HydrophobicContact CD2-CD1 3.58Å; Y64-I378 HydrophobicContact CE2-CD1 3.79Å; Y64-I378 HydrophobicContact CG-CD1 4.41Å | ||
| 65 | A | 93.5 | Very high | 91.5 | Very high | 1 Ų | 1 | 10.9 Ų | 10.9 | 1% | 0.008 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -56.3 | -37 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | P54 Q67 S68 G69 P70 W71 E304 | P54-A65 HydrophobicContact CB-CB 3.73Å; A65-Q67 PolarHBondContact O-N 3.37Å; A65-Q67 VanDerWaalsContact O-N 3.09Å; A65-S68 WeakPolarHBondContact CA-OG 3.41Å; A65-S68 PolarHBondContact O-N 2.86Å; A65-G69 PolarHBondContact O-N 3.47Å; A65-P70 WeakPolarHBondContact CB-O 3.5Å; A65-W71 PolarHBondContact O-NE1 2.86Å; A65-W71 VanDerWaalsContact O-NE1 3.12Å; A65-E304 WeakPolarHBondContact CA-OE1 3.24Å; A65-E304 WeakPolarHBondContact CB-OE1 3.39Å; A65-E304 PolarHBondContact N-OE1 2.61Å |
| 66 | N | 91 | Very high | 91.1 | Very high | 6 Ų | 6 | 12.9 Ų | 12.9 | 3% | 0.032 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -54.6 | -28 | 174 | 72.5 | 27.5 | 0 | 0 | 0 | 113.7 | Y64 W71 E304 R322 D380 P381 F382 | Y64-N66 PolarHBondContact O-N 3.22Å; N66-W71 VanDerWaalsContact CA-NE1 3.31Å; N66-W71 PolarHBondContact O-NE1 2.9Å; N66-E304 VanDerWaalsContact CB-OE2 3.29Å; N66-E304 WeakPolarHBondContact CB-OE2 3.18Å; N66-E304 PolarHBondContact N-OE1 3.2Å; N66-E304 PolarHBondContact ND2-OE2 3.2Å; N66-R322 PolarHBondContact ND2-NH2 2.91Å; N66-D380 PolarHBondContact ND2-OD2 2.99Å; N66-P381 HydrophobicContact CB-CG 3.83Å; N66-P381 VanDerWaalsContact CG-CD 3.48Å; N66-P381 WeakPolarHBondContact OD1-CD 3.46Å; N66-F382 HydrophobicContact CB-CD2 4.13Å; N66-F382 HydrophobicContact CB-CE2 3.93Å |
| 67 | Q | 90.4 | Very high | 90.9 | Very high | 36 Ų | 36 | 14.2 Ų | 14.2 | 17% | 0.168 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -98.3 | -35.9 | -178.9 | -79.6 | 154.8 | 8.4 | 0 | 0 | 113.1 | I63 Y64 A65 I378 R379 | I63-Q67 HydrophobicContact CD1-CB 4.09Å; Y64-Q67 WeakPolarHBondContact O-CA 3.31Å; Y64-Q67 WeakPolarHBondContact O-CB 3.35Å; Y64-Q67 PolarHBondContact O-N 3.24Å; A65-Q67 PolarHBondContact O-N 3.37Å; A65-Q67 VanDerWaalsContact O-N 3.09Å; Q67-I378 PolarHBondContact NE2-O 2.74Å; Q67-R379 PolarHBondContact NE2-O 2.87Å |
| 68 | S | 91.7 | Very high | 90.5 | Very high | 2 Ų | 2 | 15.6 Ų | 15.6 | 1% | 0.014 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -80.6 | -25 | -179.8 | 53.2 | 0 | 0 | 0 | 0 | 112.6 | Y64 A65 P70 P77 G78 | Y64-S68 PolarHBondContact O-N 3.29Å; Y64-S68 PolarHBondContact O-OG 3.33Å; A65-S68 WeakPolarHBondContact CA-OG 3.41Å; A65-S68 PolarHBondContact O-N 2.86Å; S68-P70 WeakPolarHBondContact O-CD 3.44Å; S68-P70 WeakPolarHBondContact OG-CD 3.18Å; S68-P77 WeakPolarHBondContact O-CA 3.38Å; S68-G78 PolarHBondContact O-N 2.98Å |
| 69 | G | 90 | Very high | 89.9 | Confident | 26 Ų | 26 | 26.2 Ų | 26.2 | 27% | 0.268 | 14% | 0.144 | S | C | . | . | S | Bend | trans | 115.9 | -36 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | A65 W71 | A65-G69 PolarHBondContact O-N 3.47Å; G69-W71 VanDerWaalsContact C-CD1 3.44Å; G69-W71 VanDerWaalsContact C-N 3.34Å; G69-W71 PolarHBondContact O-N 2.79Å; G69-W71 PolarHBondContact O-NE1 3.38Å |
| 70 | P | 88.6 | Confident | 89.3 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -73.2 | 76.6 | -176.1 | -23.8 | 37.9 | 0 | 0 | 0 | 114.3 | T53 P54 A57 A65 S68 V75 P77 L103 | T53-P70 HydrophobicContact CG2-CB 3.51Å; T53-P70 HydrophobicContact CG2-CG 4.46Å; P54-P70 WeakPolarHBondContact CA-O 3.41Å; P54-P70 VanDerWaalsContact CG-O 3.3Å; P54-P70 WeakPolarHBondContact CG-O 3.24Å; A57-P70 HydrophobicContact CB-CB 3.87Å; A57-P70 HydrophobicContact CB-CG 3.73Å; A65-P70 WeakPolarHBondContact CB-O 3.5Å; S68-P70 WeakPolarHBondContact O-CD 3.44Å; S68-P70 WeakPolarHBondContact OG-CD 3.18Å; P70-V75 WeakPolarHBondContact CB-O 3.42Å; P70-V75 WeakPolarHBondContact CG-O 3.27Å; P70-P77 HydrophobicContact CG-CB 4.15Å; P70-P77 HydrophobicContact CG-CG 3.77Å; P70-L103 HydrophobicContact CG-CD2 4.42Å | ||
| 71 | W | 86.8 | Confident | 89 | Confident | 74 Ų | 74 | 30.9 Ų | 30.9 | 28% | 0.28 | 17% | 0.169 | S | C | . | . | trans | -81.2 | -18.9 | -174.4 | -56.4 | -4.2 | 0 | 0 | 0 | 113.4 | A65 N66 G69 R307 Y308 F382 | A65-W71 PolarHBondContact O-NE1 2.86Å; A65-W71 VanDerWaalsContact O-NE1 3.12Å; N66-W71 VanDerWaalsContact CA-NE1 3.31Å; N66-W71 PolarHBondContact O-NE1 2.9Å; G69-W71 VanDerWaalsContact C-CD1 3.44Å; G69-W71 VanDerWaalsContact C-N 3.34Å; G69-W71 PolarHBondContact O-N 2.79Å; G69-W71 PolarHBondContact O-NE1 3.38Å; W71-R307 WeakPolarHBondContact O-CA 3.02Å; W71-Y308 HydrophobicContact CB-CD1 4.45Å; W71-Y308 HydrophobicContact CB-CE1 3.98Å; W71-Y308 HydrophobicContact CD2-CE1 4.38Å; W71-Y308 HydrophobicContact CE3-CD1 4.26Å; W71-Y308 AromaticContact CE3-CE1 3.72Å; W71-Y308 HydrophobicContact CE3-CE1 3.72Å; W71-F382 HydrophobicContact CD2-CZ 4.34Å; W71-F382 HydrophobicContact CE3-CE2 4.47Å; W71-F382 AromaticContact CE3-CZ 3.81Å; W71-F382 HydrophobicContact CE3-CZ 3.81Å; W71-F382 HydrophobicContact CH2-CE1 4.44Å; W71-F382 HydrophobicContact CH2-CE2 4.22Å; W71-F382 AromaticContact CH2-CZ 3.66Å; W71-F382 HydrophobicContact CH2-CZ 3.66Å; W71-F382 HydrophobicContact CZ2-CE2 4.29Å; W71-F382 HydrophobicContact CZ2-CZ 4.18Å; W71-F382 HydrophobicContact CZ3-CE1 4.24Å; W71-F382 HydrophobicContact CZ3-CE2 4.32Å; W71-F382 AromaticContact CZ3-CZ 3.47Å; W71-F382 HydrophobicContact CZ3-CZ 3.47Å; W71-F382 VanDerWaalsContact CZ3-CZ 3.47Å | ||
| 72 | T | 86.4 | Confident | 88.9 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -137.6 | 174.6 | 173.5 | -172 | 0 | 0 | 0 | 0 | 109.2 | V75 R307 I310 D313 | T72-V75 HydrophobicContact CG2-CG2 3.84Å; T72-R307 WeakPolarHBondContact OG1-CG 3.49Å; T72-I310 HydrophobicContact CG2-CB 4.31Å; T72-I310 HydrophobicContact CG2-CD1 3.91Å; T72-I310 HydrophobicContact CG2-CG1 4.32Å; T72-D313 PolarHBondContact OG1-OD2 3.32Å |
| 73 | N | 85.4 | Confident | 88.8 | Confident | 16 Ų | 16 | 33.7 Ų | 33.7 | 9% | 0.086 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 151.8 | 175 | -76.3 | -14.4 | 0 | 0 | 0 | 112 | V51 T53 V75 H102 | V51-N73 WeakPolarHBondContact CG1-OD1 3.35Å; T53-N73 VanDerWaalsContact CB-OD1 3.3Å; T53-N73 WeakPolarHBondContact CB-OD1 3.4Å; T53-N73 PolarHBondContact N-OD1 2.77Å; T53-N73 VanDerWaalsContact OG1-CA 3.28Å; T53-N73 WeakPolarHBondContact OG1-CA 3.5Å; T53-N73 PolarHBondContact OG1-OD1 2.88Å; N73-V75 VanDerWaalsContact C-N 3.26Å; N73-V75 PolarHBondContact O-N 2.82Å; N73-H102 PolarHBondContact OD1-NE2 3.47Å |
| 74 | N | 78.7 | Confident | 88.8 | Confident | 20 Ų | 20 | 33.3 Ų | 33.3 | 11% | 0.107 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 18.7 | 177.3 | -46.1 | -20.2 | 0 | 0 | 0 | 114.7 | T53 G105 Y108 E311 | T53-N74 PolarHBondContact OG1-N 3.41Å; N74-G105 CarbonylContact O-C 3.46Å; N74-G105 VanDerWaalsContact O-CA 3.3Å; N74-G105 WeakPolarHBondContact O-CA 3.5Å; N74-Y108 WeakPolarHBondContact ND2-CE2 3.24Å; N74-Y108 PolarHBondContact ND2-OH 3.43Å; N74-E311 PolarHBondContact ND2-OE2 3.02Å |
| 75 | V | 84.5 | Confident | 88.6 | Confident | 33 Ų | 33 | 34.6 Ų | 34.6 | 20% | 0.2 | 20% | 0.198 | C | C | . | . | trans | -108.1 | 122.8 | 172.2 | 179.9 | 0 | 0 | 0 | 0 | 109 | T53 P70 T72 N73 I310 | T53-V75 WeakPolarHBondContact CG2-O 3.28Å; P70-V75 WeakPolarHBondContact CB-O 3.42Å; P70-V75 WeakPolarHBondContact CG-O 3.27Å; T72-V75 HydrophobicContact CG2-CG2 3.84Å; N73-V75 VanDerWaalsContact C-N 3.26Å; N73-V75 PolarHBondContact O-N 2.82Å; V75-I310 HydrophobicContact CG2-CD1 4.03Å | ||
| 76 | A | 87.5 | Confident | 88.6 | Confident | 42 Ų | 42 | 40.5 Ų | 40.5 | 35% | 0.347 | 22% | 0.22 | S | C | . | . | P | Polyproline II helix | trans | -72.7 | 150.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 77 | P | 88.8 | Confident | 88.8 | Confident | 27 Ų | 27 | 40.5 Ų | 40.5 | 18% | 0.175 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -55.4 | 150.9 | 167.1 | -21.9 | 31 | 0 | 0 | 0 | 111.8 | S68 P70 K79 I81 L103 | S68-P77 WeakPolarHBondContact O-CA 3.38Å; P70-P77 HydrophobicContact CG-CB 4.15Å; P70-P77 HydrophobicContact CG-CG 3.77Å; P77-K79 PolarHBondContact O-N 3.39Å; P77-I81 HydrophobicContact CB-CB 4.34Å; P77-L103 WeakPolarHBondContact CD-O 3.17Å; P77-L103 HydrophobicContact CG-CB 4.33Å; P77-L103 HydrophobicContact CG-CD2 4.32Å |
| 78 | G | 87.8 | Confident | 89.1 | Confident | 29 Ų | 29 | 38.8 Ų | 38.8 | 30% | 0.299 | 21% | 0.212 | S | C | . | . | P | Polyproline II helix | trans | -54.3 | 141.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111 | S68 N80 I81 | S68-G78 PolarHBondContact O-N 2.98Å; G78-N80 PolarHBondContact O-N 3.29Å; G78-I81 WeakPolarHBondContact O-CB 3.08Å; G78-I81 WeakPolarHBondContact O-CG1 3.05Å; G78-I81 PolarHBondContact O-N 3.46Å |
| 79 | K | 83.8 | Confident | 89.2 | Confident | 224 Ų | 224 | 45 Ų | 45 | 97% | 0.974 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -16.4 | -178 | -66.1 | -176.3 | 177.7 | -178.9 | 0 | 114.7 | P77 | P77-K79 PolarHBondContact O-N 3.39Š|
| 80 | N | 83.5 | Confident | 89.4 | Confident | 78 Ų | 78 | 47 Ų | 47 | 42% | 0.417 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 11.9 | -178.2 | 66.3 | -25.1 | 0 | 0 | 0 | 112.9 | G78 P414 | G78-N80 PolarHBondContact O-N 3.29Å; N80-P414 HydrophobicContact CB-CG 3.89Å; N80-P414 WeakPolarHBondContact ND2-CG 3.37Å |
| 81 | I | 89.8 | Confident | 89.8 | Confident | 23 Ų | 23 | 48.2 Ų | 48.2 | 12% | 0.118 | 25% | 0.254 | C | S | . | . | trans | -99 | 125.1 | 176.3 | -56.1 | -58.2 | 0 | 0 | 0 | 108.5 | T61 I63 P77 G78 | T61-I81 HydrophobicContact CG2-CG2 3.51Å; I63-I81 HydrophobicContact CD1-CD1 4.08Å; I63-I81 HydrophobicContact CD1-CG2 4.11Å; P77-I81 HydrophobicContact CB-CB 4.34Å; G78-I81 WeakPolarHBondContact O-CB 3.08Å; G78-I81 WeakPolarHBondContact O-CG1 3.05Å; G78-I81 PolarHBondContact O-N 3.46Å | ||
| 82 | S | 92.4 | Very high | 90.1 | Very high | 23 Ų | 23 | 47 Ų | 47 | 16% | 0.161 | 26% | 0.263 | C | S | . | . | trans | -86.1 | 144 | 176.2 | -67.2 | 0 | 0 | 0 | 0 | 110.6 | Y412 | S82-Y412 WeakPolarHBondContact OG-CD1 3.42Š| ||
| 83 | T | 93 | Very high | 90.5 | Very high | 37 Ų | 37 | 47.3 Ų | 47.3 | 23% | 0.227 | 26% | 0.264 | C | S | . | . | trans | -105.6 | 164.5 | 177.6 | 63.3 | 0 | 0 | 0 | 0 | 111 | F60 T61 G85 R86 Y87 | F60-T83 CarbonylContact O-C 3.44Å; F60-T83 VanDerWaalsContact O-CA 3.23Å; F60-T83 WeakPolarHBondContact O-CA 3.36Å; T61-T83 HydrophobicContact CG2-CG2 4.36Å; T83-G85 PolarHBondContact O-N 3.41Å; T83-R86 WeakPolarHBondContact O-CA 3.43Å; T83-R86 WeakPolarHBondContact O-CB 3.12Å; T83-R86 PolarHBondContact O-N 3.43Å; T83-Y87 VanDerWaalsContact C-CD2 3.49Å; T83-Y87 WeakPolarHBondContact O-CD2 3.42Å; T83-Y87 PolarHBondContact O-N 3.2Å | ||
| 84 | M | 95.3 | Very high | 90.9 | Very high | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -47.3 | -45.9 | 172.8 | 177.9 | -174.4 | -64.1 | 0 | 0 | 110.9 | F8 F60 R86 Y87 F88 L144 L272 M275 | F8-M84 HydrophobicContact CE2-CE 4.48Å; F60-M84 HydrophobicContact CD1-CE 4.43Å; F60-M84 HydrophobicContact CD1-SD 4.4Å; F60-M84 PolarHBondContact O-N 3.41Å; M84-R86 VanDerWaalsContact C-N 3.32Å; M84-R86 PolarHBondContact O-N 3.11Å; M84-Y87 PolarHBondContact O-N 2.91Å; M84-F88 HydrophobicContact CG-CD2 4.09Å; M84-F88 HydrophobicContact CG-CE2 4.3Å; M84-F88 WeakPolarHBondContact O-CD2 3.27Å; M84-F88 PolarHBondContact O-N 2.98Å; M84-L144 HydrophobicContact CG-CD2 3.67Å; M84-L144 HydrophobicContact SD-CD1 4.42Å; M84-L144 HydrophobicContact SD-CD2 4.04Å; M84-L272 HydrophobicContact CB-CD1 3.95Å; M84-L272 HydrophobicContact CE-CB 4.25Å; M84-L272 HydrophobicContact CE-CD1 4.44Å; M84-L272 HydrophobicContact CG-CD1 3.8Å; M84-M275 HydrophobicContact CE-CE 4.43Å; M84-M275 HydrophobicContact CE-SD 3.9Å; M84-M275 HydrophobicContact SD-CE 3.8Å; M84-M275 HydrophobicContact SD-SD 4.07Å |
| 85 | G | 92.7 | Very high | 91.4 | Very high | 26 Ų | 26 | 52.8 Ų | 52.8 | 27% | 0.268 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.2 | -40 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T83 K89 T95 | T83-G85 PolarHBondContact O-N 3.41Å; G85-K89 WeakPolarHBondContact O-CB 3.32Å; G85-K89 PolarHBondContact O-N 2.83Å; G85-T95 WeakPolarHBondContact O-CG2 3.37Å |
| 86 | R | 92.9 | Very high | 91.5 | Very high | 125 Ų | 125 | 53.3 Ų | 53.3 | 47% | 0.472 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.1 | -48.6 | 176.1 | 177.9 | 59.9 | -173.5 | -178.4 | 10.5 | 111.9 | T83 M84 F88 K89 D90 | T83-R86 WeakPolarHBondContact O-CA 3.43Å; T83-R86 WeakPolarHBondContact O-CB 3.12Å; T83-R86 PolarHBondContact O-N 3.43Å; M84-R86 VanDerWaalsContact C-N 3.32Å; M84-R86 PolarHBondContact O-N 3.11Å; R86-F88 VanDerWaalsContact C-N 3.34Å; R86-F88 PolarHBondContact O-N 2.85Å; R86-K89 PolarHBondContact O-N 3.17Å; R86-D90 IonicContact CZ-OD1 3.08Å; R86-D90 IonicContact CZ-OD2 3.73Å; R86-D90 VanDerWaalsContact NE-CG 3.27Å; R86-D90 IonicContact NE-OD1 2.84Å; R86-D90 PolarHBondContact NE-OD1 3.49Å; R86-D90 VanDerWaalsContact NE-OD1 3.1Å; R86-D90 IonicContact NE-OD2 3.36Å; R86-D90 PolarHBondContact NE-OD2 2.94Å; R86-D90 IonicContact NH1-OD1 2.77Å; R86-D90 PolarHBondContact NH1-OD1 2.86Å; R86-D90 VanDerWaalsContact NH2-CG 3.26Å; R86-D90 IonicContact NH2-OD1 2.84Å; R86-D90 PolarHBondContact NH2-OD1 3.33Å; R86-D90 IonicContact NH2-OD2 3.57Å; R86-D90 PolarHBondContact NH2-OD2 3.39Å; R86-D90 WeakPolarHBondContact O-CB 3.26Å; R86-D90 PolarHBondContact O-N 3.23Å |
| 87 | Y | 95.5 | Very high | 91.4 | Very high | 7 Ų | 7 | 54.6 Ų | 54.6 | 3% | 0.027 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.6 | -45.5 | -179.9 | -66.9 | -67.8 | 0 | 0 | 0 | 112.1 | T83 M84 A91 L272 M276 P284 L287 Y412 | T83-Y87 VanDerWaalsContact C-CD2 3.49Å; T83-Y87 WeakPolarHBondContact O-CD2 3.42Å; T83-Y87 PolarHBondContact O-N 3.2Å; M84-Y87 PolarHBondContact O-N 2.91Å; Y87-A91 PolarHBondContact O-N 3.04Å; Y87-A91 VanDerWaalsContact O-N 3.15Å; Y87-L272 HydrophobicContact CD2-CD1 4.31Å; Y87-L272 HydrophobicContact CD2-CD2 3.71Å; Y87-L272 HydrophobicContact CE2-CD2 3.72Å; Y87-M276 HydrophobicContact CD1-CE 3.58Å; Y87-M276 HydrophobicContact CD2-CE 3.83Å; Y87-M276 HydrophobicContact CE1-CE 4.3Å; Y87-M276 HydrophobicContact CG-CE 3.32Å; Y87-P284 HydrophobicContact CD1-CG 4.15Å; Y87-P284 HydrophobicContact CE1-CG 3.73Å; Y87-L287 HydrophobicContact CE2-CD2 4.5Å; Y87-Y412 AromaticContact CD1-CD1 3.71Å; Y87-Y412 HydrophobicContact CD1-CD1 3.71Å; Y87-Y412 HydrophobicContact CD1-CD2 4.19Å; Y87-Y412 AromaticContact CD1-CE1 3.38Å; Y87-Y412 HydrophobicContact CD1-CE1 3.38Å; Y87-Y412 AromaticContact CD1-CE2 3.89Å; Y87-Y412 HydrophobicContact CD1-CE2 3.89Å; Y87-Y412 HydrophobicContact CD1-CG 4.09Å; Y87-Y412 AromaticContact CD1-CZ 3.46Å; Y87-Y412 VanDerWaalsContact CD1-CZ 3.46Å; Y87-Y412 AromaticContact CE1-CD1 3.3Å; Y87-Y412 HydrophobicContact CE1-CD1 3.3Å; Y87-Y412 AromaticContact CE1-CD2 3.69Å; Y87-Y412 HydrophobicContact CE1-CD2 3.69Å; Y87-Y412 AromaticContact CE1-CE1 3.53Å; Y87-Y412 HydrophobicContact CE1-CE1 3.53Å; Y87-Y412 AromaticContact CE1-CE2 3.89Å; Y87-Y412 HydrophobicContact CE1-CE2 3.89Å; Y87-Y412 AromaticContact CE1-CG 3.37Å; Y87-Y412 HydrophobicContact CE1-CG 3.37Å; Y87-Y412 AromaticContact CE1-CZ 3.8Å; Y87-Y412 HydrophobicContact CG-CE1 4.42Å |
| 88 | F | 96.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.4 | -40.6 | 179.3 | -87.6 | -99.6 | 0 | 0 | 0 | 112.2 | F6 M84 R86 D90 A91 G92 Y93 T95 L144 L272 M275 M276 A279 I281 | F6-F88 AromaticContact CD2-CE1 3.7Å; F6-F88 HydrophobicContact CD2-CE1 3.7Å; F6-F88 HydrophobicContact CD2-CZ 4.38Å; F6-F88 AromaticContact CE2-CE1 3.64Å; F6-F88 HydrophobicContact CE2-CE1 3.64Å; F6-F88 HydrophobicContact CE2-CZ 4.23Å; F6-F88 HydrophobicContact CZ-CE1 4.44Å; M84-F88 HydrophobicContact CG-CD2 4.09Å; M84-F88 HydrophobicContact CG-CE2 4.3Å; M84-F88 WeakPolarHBondContact O-CD2 3.27Å; M84-F88 PolarHBondContact O-N 2.98Å; R86-F88 VanDerWaalsContact C-N 3.34Å; R86-F88 PolarHBondContact O-N 2.85Å; F88-D90 PolarHBondContact O-N 3.46Å; F88-A91 CarbonylContact O-C 3.57Å; F88-A91 WeakPolarHBondContact O-CA 3.24Å; F88-A91 WeakPolarHBondContact O-CB 3.46Å; F88-A91 PolarHBondContact O-N 3.16Å; F88-A91 VanDerWaalsContact O-N 3.14Å; F88-G92 PolarHBondContact O-N 2.81Å; F88-Y93 HydrophobicContact CB-CG 4.43Å; F88-Y93 AromaticContact CD1-CD1 3.86Å; F88-Y93 HydrophobicContact CD1-CD1 3.86Å; F88-Y93 AromaticContact CD1-CD2 3.84Å; F88-Y93 HydrophobicContact CD1-CD2 3.84Å; F88-Y93 HydrophobicContact CD1-CE1 4.12Å; F88-Y93 HydrophobicContact CD1-CE2 4.12Å; F88-Y93 AromaticContact CD1-CG 3.73Å; F88-Y93 HydrophobicContact CD1-CG 3.73Å; F88-Y93 HydrophobicContact CE1-CD1 4.43Å; F88-Y93 HydrophobicContact CE1-CE1 4.25Å; F88-Y93 HydrophobicContact CE1-CE2 4.34Å; F88-Y93 WeakPolarHBondContact O-CB 3.48Å; F88-Y93 PolarHBondContact O-N 3.05Å; F88-T95 HydrophobicContact CB-CG2 3.84Å; F88-L144 HydrophobicContact CB-CB 4.37Å; F88-L144 HydrophobicContact CB-CD2 3.8Å; F88-L144 HydrophobicContact CD1-CB 4.02Å; F88-L144 HydrophobicContact CD1-CD2 4.11Å; F88-L144 HydrophobicContact CD2-CD2 3.8Å; F88-L144 HydrophobicContact CE2-CD2 4.46Å; F88-L144 HydrophobicContact CG-CB 4.26Å; F88-L144 HydrophobicContact CG-CD2 3.6Å; F88-L272 HydrophobicContact CD2-CD1 4.46Å; F88-L272 HydrophobicContact CE2-CD1 4.04Å; F88-M275 HydrophobicContact CE2-CB 4.18Å; F88-M275 HydrophobicContact CE2-CE 4.32Å; F88-M275 HydrophobicContact CZ-CB 3.69Å; F88-M275 HydrophobicContact CZ-CE 4.14Å; F88-M276 HydrophobicContact CE2-CG 4.4Å; F88-A279 HydrophobicContact CE1-CB 4.09Å; F88-A279 HydrophobicContact CZ-CB 4.41Å; F88-I281 HydrophobicContact CD1-CD1 4.02Å; F88-I281 HydrophobicContact CD2-CD1 4.49Å; F88-I281 HydrophobicContact CE1-CD1 3.88Å; F88-I281 HydrophobicContact CE2-CD1 4.38Å; F88-I281 HydrophobicContact CG-CD1 4.31Å; F88-I281 HydrophobicContact CZ-CD1 4.05Å |
| 89 | K | 94.1 | Very high | 90.7 | Very high | 131 Ų | 131 | 53.9 Ų | 53.9 | 57% | 0.57 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -61.3 | -42.8 | 175.7 | -177 | 171.9 | -177.1 | 173 | 0 | 112.1 | G85 R86 A91 G92 T95 | G85-K89 WeakPolarHBondContact O-CB 3.32Å; G85-K89 PolarHBondContact O-N 2.83Å; R86-K89 PolarHBondContact O-N 3.17Å; K89-A91 PolarHBondContact O-N 3.14Å; K89-G92 PolarHBondContact O-N 3.03Å; K89-T95 HydrophobicContact CB-CG2 4.09Å |
| 90 | D | 94.3 | Very high | 90.6 | Very high | 70 Ų | 70 | 43.6 Ų | 43.6 | 37% | 0.374 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.5 | -28.9 | 176.9 | -74.4 | -3.4 | 0 | 0 | 0 | 112 | R86 F88 G92 | R86-D90 IonicContact CZ-OD1 3.08Å; R86-D90 IonicContact CZ-OD2 3.73Å; R86-D90 VanDerWaalsContact NE-CG 3.27Å; R86-D90 IonicContact NE-OD1 2.84Å; R86-D90 PolarHBondContact NE-OD1 3.49Å; R86-D90 VanDerWaalsContact NE-OD1 3.1Å; R86-D90 IonicContact NE-OD2 3.36Å; R86-D90 PolarHBondContact NE-OD2 2.94Å; R86-D90 IonicContact NH1-OD1 2.77Å; R86-D90 PolarHBondContact NH1-OD1 2.86Å; R86-D90 VanDerWaalsContact NH2-CG 3.26Å; R86-D90 IonicContact NH2-OD1 2.84Å; R86-D90 PolarHBondContact NH2-OD1 3.33Å; R86-D90 IonicContact NH2-OD2 3.57Å; R86-D90 PolarHBondContact NH2-OD2 3.39Å; R86-D90 WeakPolarHBondContact O-CB 3.26Å; R86-D90 PolarHBondContact O-N 3.23Å; F88-D90 PolarHBondContact O-N 3.46Å; D90-G92 PolarHBondContact O-N 3.3Å |
| 91 | A | 95.6 | Very high | 90.5 | Very high | 25 Ų | 25 | 43 Ų | 43 | 21% | 0.207 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 4.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | R3 Y87 F88 K89 Y93 I281 | R3-A91 VanDerWaalsContact CZ-O 3.25Å; R3-A91 PolarHBondContact NH1-O 3.41Å; R3-A91 PolarHBondContact NH2-O 2.65Å; Y87-A91 PolarHBondContact O-N 3.04Å; Y87-A91 VanDerWaalsContact O-N 3.15Å; F88-A91 CarbonylContact O-C 3.57Å; F88-A91 WeakPolarHBondContact O-CA 3.24Å; F88-A91 WeakPolarHBondContact O-CB 3.46Å; F88-A91 PolarHBondContact O-N 3.16Å; F88-A91 VanDerWaalsContact O-N 3.14Å; K89-A91 PolarHBondContact O-N 3.14Å; A91-Y93 HydrophobicContact CB-CD2 4.37Å; A91-I281 HydrophobicContact CB-CD1 3.51Å; A91-I281 HydrophobicContact CB-CG1 3.69Å; A91-I281 HydrophobicContact CB-CG2 4.34Å |
| 92 | G | 94.9 | Very high | 90.2 | Very high | 47 Ų | 47 | 42.5 Ų | 42.5 | 49% | 0.485 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | 21.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | F88 K89 D90 | F88-G92 PolarHBondContact O-N 2.81Å; K89-G92 PolarHBondContact O-N 3.03Å; D90-G92 PolarHBondContact O-N 3.3Å |
| 93 | Y | 94.9 | Very high | 89.8 | Confident | 8 Ų | 8 | 41.6 Ų | 41.6 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | trans | -85.9 | 147.3 | 171.5 | -81 | -109.9 | 0 | 0 | 0 | 112 | R3 P4 F6 F88 A91 T95 P142 A279 I281 | R3-Y93 VanDerWaalsContact CZ-CE2 3.47Å; R3-Y93 VanDerWaalsContact NH2-CE2 3.28Å; P4-Y93 WeakPolarHBondContact O-CE1 3.46Å; P4-Y93 PolarHBondContact O-OH 2.85Å; F6-Y93 AromaticContact CD2-CE1 3.97Å; F6-Y93 HydrophobicContact CD2-CE1 3.97Å; F6-Y93 HydrophobicContact CE2-CE1 4.03Å; F88-Y93 HydrophobicContact CB-CG 4.43Å; F88-Y93 AromaticContact CD1-CD1 3.86Å; F88-Y93 HydrophobicContact CD1-CD1 3.86Å; F88-Y93 AromaticContact CD1-CD2 3.84Å; F88-Y93 HydrophobicContact CD1-CD2 3.84Å; F88-Y93 HydrophobicContact CD1-CE1 4.12Å; F88-Y93 HydrophobicContact CD1-CE2 4.12Å; F88-Y93 AromaticContact CD1-CG 3.73Å; F88-Y93 HydrophobicContact CD1-CG 3.73Å; F88-Y93 HydrophobicContact CE1-CD1 4.43Å; F88-Y93 HydrophobicContact CE1-CE1 4.25Å; F88-Y93 HydrophobicContact CE1-CE2 4.34Å; F88-Y93 WeakPolarHBondContact O-CB 3.48Å; F88-Y93 PolarHBondContact O-N 3.05Å; A91-Y93 HydrophobicContact CB-CD2 4.37Å; Y93-T95 PolarHBondContact O-N 2.75Å; Y93-P142 WeakPolarHBondContact CA-O 3.5Å; Y93-P142 HydrophobicContact CD1-CB 3.81Å; Y93-P142 HydrophobicContact CD1-CG 4.06Å; Y93-P142 HydrophobicContact CD2-CG 4.31Å; Y93-P142 HydrophobicContact CE1-CB 3.53Å; Y93-P142 HydrophobicContact CE1-CG 4.06Å; Y93-P142 HydrophobicContact CE2-CG 4.29Å; Y93-P142 HydrophobicContact CG-CB 4.43Å; Y93-P142 HydrophobicContact CG-CG 4.17Å; Y93-A279 HydrophobicContact CE2-CB 4.15Å; Y93-A279 WeakPolarHBondContact OH-CB 3.25Å; Y93-I281 HydrophobicContact CD2-CD1 4.46Å; Y93-I281 HydrophobicContact CE2-CD1 4.16Å | ||
| 94 | H | 92 | Very high | 89.2 | Confident | 97 Ų | 97 | 42.5 Ų | 42.5 | 45% | 0.449 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 118.7 | 161.2 | -69.8 | -92.2 | 0 | 0 | 0 | 109.2 | D140 P142 F143 L144 | H94-D140 PolarHBondContact CD2-O 2.88Å; H94-P142 PolarHBondContact N-O 3.33Å; H94-F143 HydrophobicContact CB-CB 4.32Å; H94-F143 CarbonylContact O-C 3.58Å; H94-F143 VanDerWaalsContact O-CA 3.24Å; H94-F143 WeakPolarHBondContact O-CA 3.31Å; H94-L144 PolarHBondContact O-N 3.17Å |
| 95 | T | 89.7 | Confident | 88.2 | Confident | 54 Ų | 54 | 43.8 Ų | 43.8 | 33% | 0.331 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 128.9 | -177.1 | 61.4 | 0 | 0 | 0 | 0 | 111.2 | G85 F88 K89 Y93 L144 | G85-T95 WeakPolarHBondContact O-CG2 3.37Å; F88-T95 HydrophobicContact CB-CG2 3.84Å; K89-T95 HydrophobicContact CB-CG2 4.09Å; Y93-T95 PolarHBondContact O-N 2.75Å; T95-L144 CarbonylContact C-O 3.6Å; T95-L144 VanDerWaalsContact CA-O 3.32Å; T95-L144 WeakPolarHBondContact CA-O 3.43Å; T95-L144 HydrophobicContact CG2-CB 4.39Å |
| 96 | C | 87.4 | Confident | 86.8 | Confident | 45 Ų | 45 | 48.9 Ų | 48.9 | 30% | 0.304 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 144.5 | 178.3 | -176 | 0 | 0 | 0 | 0 | 110.5 | L144 V146 | C96-L144 PolarHBondContact N-O 2.85Å; C96-V146 PolarHBondContact O-N 3.32Å |
| 97 | Y | 85 | Confident | 85 | Confident | 68 Ų | 68 | 48.1 Ų | 48.1 | 27% | 0.267 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 131.2 | 175.2 | -165.9 | -77.4 | 0 | 0 | 0 | 109 | F60 K100 W101 V146 S148 | F60-Y97 AromaticContact CE1-CE2 3.91Å; F60-Y97 HydrophobicContact CE1-CE2 3.91Å; F60-Y97 HydrophobicContact CE2-CE2 4.06Å; F60-Y97 AromaticContact CZ-CE2 3.55Å; F60-Y97 HydrophobicContact CZ-CE2 3.55Å; Y97-K100 PolarHBondContact OH-O 3.28Å; Y97-W101 HydrophobicContact CD1-CE3 4.32Å; Y97-W101 AromaticContact CD2-CE3 3.91Å; Y97-W101 HydrophobicContact CD2-CE3 3.91Å; Y97-W101 AromaticContact CD2-CZ3 3.88Å; Y97-W101 HydrophobicContact CD2-CZ3 3.88Å; Y97-W101 HydrophobicContact CE1-CB 4.23Å; Y97-W101 AromaticContact CE1-CE3 3.92Å; Y97-W101 HydrophobicContact CE1-CE3 3.92Å; Y97-W101 AromaticContact CE2-CE3 3.44Å; Y97-W101 HydrophobicContact CE2-CE3 3.44Å; Y97-W101 VanDerWaalsContact CE2-CE3 3.44Å; Y97-W101 AromaticContact CE2-CZ3 3.51Å; Y97-W101 HydrophobicContact CE2-CZ3 3.51Å; Y97-W101 HydrophobicContact CG-CE3 4.34Å; Y97-W101 AromaticContact CZ-CE3 3.46Å; Y97-W101 VanDerWaalsContact CZ-CE3 3.46Å; Y97-V146 CarbonylContact C-O 3.55Å; Y97-V146 WeakPolarHBondContact CA-O 3.34Å; Y97-V146 HydrophobicContact CD2-CB 3.58Å; Y97-V146 HydrophobicContact CD2-CG1 3.71Å; Y97-V146 HydrophobicContact CD2-CG2 4.14Å; Y97-V146 HydrophobicContact CE2-CB 3.87Å; Y97-V146 HydrophobicContact CE2-CG1 3.42Å; Y97-V146 VanDerWaalsContact CE2-CG1 3.42Å; Y97-V146 HydrophobicContact CE2-CG2 4.5Å; Y97-V146 HydrophobicContact CG-CB 4.31Å; Y97-S148 WeakPolarHBondContact OH-CB 3.2Å; Y97-S148 PolarHBondContact OH-OG 2.94Å |
| 98 | I | 81.7 | Confident | 83.1 | Confident | 19 Ų | 19 | 50.9 Ų | 50.9 | 10% | 0.097 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 135.1 | 179.7 | -54.1 | -179.8 | 0 | 0 | 0 | 108.9 | F133 P136 M145 V146 S148 | I98-F133 HydrophobicContact CG2-CD1 4.25Å; I98-F133 HydrophobicContact CG2-CE1 3.87Å; I98-P136 HydrophobicContact CD1-CG 4.46Å; I98-M145 HydrophobicContact CD1-CE 3.69Å; I98-V146 PolarHBondContact N-O 3.39Å; I98-S148 PolarHBondContact O-N 3.28Å |
| 99 | G | 79.7 | Confident | 81.2 | Confident | 23 Ų | 23 | 58.3 Ų | 58.3 | 24% | 0.237 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 93.7 | -154.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | W101 S148 | G99-W101 PolarHBondContact O-N 2.97Å; G99-S148 CarbonylContact C-O 3.58Å; G99-S148 VanDerWaalsContact CA-O 3.28Å; G99-S148 WeakPolarHBondContact CA-O 3.21Å |
| 100 | K | 82.8 | Confident | 79.3 | Confident | 8 Ų | 8 | 55.8 Ų | 55.8 | 4% | 0.035 | 30% | 0.297 | C | S | . | . | trans | -64.8 | 113.2 | -168.6 | 174.4 | 174.4 | -179.4 | 179.8 | 0 | 112.5 | D12 R56 Y97 H102 S148 D150 | D12-K100 WeakPolarHBondContact OD1-CE 3.46Å; D12-K100 IonicContact OD1-NZ 3.11Å; D12-K100 PolarHBondContact OD1-NZ 3.45Å; D12-K100 IonicContact OD2-NZ 3.54Å; D12-K100 PolarHBondContact OD2-NZ 2.74Å; R56-K100 PolarHBondContact NH1-O 3.36Å; Y97-K100 PolarHBondContact OH-O 3.28Å; K100-H102 HydrophobicContact CG-CB 4.04Å; K100-S148 PolarHBondContact N-O 3.15Å; K100-S148 WeakPolarHBondContact O-CB 3.41Å; K100-S148 PolarHBondContact O-OG 3.23Å; K100-D150 HydrophobicContact CB-CB 4.45Å; K100-D150 HydrophobicContact CD-CB 4.04Å; K100-D150 WeakPolarHBondContact CD-OD1 3.33Å; K100-D150 WeakPolarHBondContact CE-OD1 3.43Å; K100-D150 IonicContact NZ-OD1 2.74Å; K100-D150 PolarHBondContact NZ-OD1 3.01Å | ||
| 101 | W | 80.9 | Confident | 77.6 | Confident | 65 Ų | 65 | 53.3 Ų | 53.3 | 25% | 0.246 | 28% | 0.284 | C | S | . | . | trans | -82.8 | -59.4 | 175.6 | -179.2 | -129.7 | 0 | 0 | 0 | 112.7 | F60 Y97 G99 L103 | F60-W101 HydrophobicContact CB-CH2 4.35Å; F60-W101 HydrophobicContact CD1-CZ3 4.43Å; F60-W101 HydrophobicContact CD2-CH2 4.34Å; F60-W101 AromaticContact CD2-CZ3 3.78Å; F60-W101 HydrophobicContact CD2-CZ3 3.78Å; F60-W101 HydrophobicContact CE2-CZ3 4.08Å; F60-W101 HydrophobicContact CG-CH2 4.3Å; F60-W101 AromaticContact CG-CZ3 3.99Å; F60-W101 HydrophobicContact CG-CZ3 3.99Å; Y97-W101 HydrophobicContact CD1-CE3 4.32Å; Y97-W101 AromaticContact CD2-CE3 3.91Å; Y97-W101 HydrophobicContact CD2-CE3 3.91Å; Y97-W101 AromaticContact CD2-CZ3 3.88Å; Y97-W101 HydrophobicContact CD2-CZ3 3.88Å; Y97-W101 HydrophobicContact CE1-CB 4.23Å; Y97-W101 AromaticContact CE1-CE3 3.92Å; Y97-W101 HydrophobicContact CE1-CE3 3.92Å; Y97-W101 AromaticContact CE2-CE3 3.44Å; Y97-W101 HydrophobicContact CE2-CE3 3.44Å; Y97-W101 VanDerWaalsContact CE2-CE3 3.44Å; Y97-W101 AromaticContact CE2-CZ3 3.51Å; Y97-W101 HydrophobicContact CE2-CZ3 3.51Å; Y97-W101 HydrophobicContact CG-CE3 4.34Å; Y97-W101 AromaticContact CZ-CE3 3.46Å; Y97-W101 VanDerWaalsContact CZ-CE3 3.46Å; G99-W101 PolarHBondContact O-N 2.97Å; W101-L103 VanDerWaalsContact C-N 3.27Å; W101-L103 HydrophobicContact CD2-CB 4.13Å; W101-L103 HydrophobicContact CG-CB 4.44Å; W101-L103 HydrophobicContact CH2-CD1 3.82Å; W101-L103 HydrophobicContact CZ2-CB 3.88Å; W101-L103 HydrophobicContact CZ2-CD1 3.87Å; W101-L103 HydrophobicContact CZ2-CG 4.48Å; W101-L103 HydrophobicContact CZ3-CD1 4.15Å; W101-L103 PolarHBondContact O-N 3.19Å | ||
| 102 | H | 82.6 | Confident | 75.8 | Confident | 12 Ų | 12 | 54.2 Ų | 54.2 | 6% | 0.056 | 29% | 0.289 | C | S | . | . | trans | 60.7 | 28.8 | 176.3 | -149.6 | 79 | 0 | 0 | 0 | 114.5 | T53 N73 K100 I111 | T53-H102 WeakPolarHBondContact CG2-O 3.36Å; T53-H102 PolarHBondContact OG1-CD2 2.79Å; T53-H102 PolarHBondContact OG1-NE2 2.93Å; T53-H102 VanDerWaalsContact OG1-NE2 3.1Å; T53-H102 PolarHBondContact OG1-O 3.01Å; N73-H102 PolarHBondContact OD1-NE2 3.47Å; K100-H102 HydrophobicContact CG-CB 4.04Å; H102-I111 WeakPolarHBondContact CE1-CD1 3.46Å; H102-I111 WeakPolarHBondContact ND1-CD1 3.47Å | ||
| 103 | L | 84.8 | Confident | 73.9 | Confident | 5 Ų | 5 | 54.2 Ų | 54.2 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | trans | -135.1 | 13.1 | 176.5 | -67.3 | 177.2 | 0 | 0 | 0 | 112.7 | T53 R56 A57 F60 P70 P77 W101 | T53-L103 HydrophobicContact CG2-CD2 3.74Å; T53-L103 WeakPolarHBondContact O-CD2 3.32Å; R56-L103 HydrophobicContact CB-CD1 4.21Å; R56-L103 HydrophobicContact CB-CD2 4.21Å; R56-L103 HydrophobicContact CB-CG 4.16Å; A57-L103 HydrophobicContact CB-CD2 3.79Å; F60-L103 HydrophobicContact CB-CD1 4.28Å; F60-L103 HydrophobicContact CD2-CD1 3.89Å; P70-L103 HydrophobicContact CG-CD2 4.42Å; P77-L103 WeakPolarHBondContact CD-O 3.17Å; P77-L103 HydrophobicContact CG-CB 4.33Å; P77-L103 HydrophobicContact CG-CD2 4.32Å; W101-L103 VanDerWaalsContact C-N 3.27Å; W101-L103 HydrophobicContact CD2-CB 4.13Å; W101-L103 HydrophobicContact CG-CB 4.44Å; W101-L103 HydrophobicContact CH2-CD1 3.82Å; W101-L103 HydrophobicContact CZ2-CB 3.88Å; W101-L103 HydrophobicContact CZ2-CD1 3.87Å; W101-L103 HydrophobicContact CZ2-CG 4.48Å; W101-L103 HydrophobicContact CZ3-CD1 4.15Å; W101-L103 PolarHBondContact O-N 3.19Å | ||
| 104 | D | 80 | Confident | 71.9 | Confident | 56 Ų | 56 | 57 Ų | 57 | 30% | 0.299 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -82.9 | -19.1 | 177.5 | 61.9 | -26.3 | 0 | 0 | 0 | 113.1 | H106 | D104-H106 VanDerWaalsContact C-N 3.31Å; D104-H106 IonicContact OD2-CD2 3.1Å |
| 105 | G | 74.3 | Confident | 70.1 | Confident | 29 Ų | 29 | 56.6 Ų | 56.6 | 30% | 0.299 | 28% | 0.282 | S | S | . | . | trans | 75.1 | 17 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | N74 | N74-G105 CarbonylContact O-C 3.46Å; N74-G105 VanDerWaalsContact O-CA 3.3Å; N74-G105 WeakPolarHBondContact O-CA 3.5Å | ||
| 106 | H | 64 | Low | 68.4 | Low | 133 Ų | 133 | 59.8 Ų | 59.8 | 62% | 0.616 | 30% | 0.297 | S | S | * | . | trans | -101 | 152.8 | 179 | -73.6 | -70.4 | 0 | 0 | 0 | 112.4 | D104 Y108 | D104-H106 VanDerWaalsContact C-N 3.31Å; D104-H106 IonicContact OD2-CD2 3.1Å; H106-Y108 PolarHBondContact O-N 2.88Å; H106-Y108 VanDerWaalsContact O-N 3.16Å | ||
| 107 | D | 54.1 | Low | 66.4 | Low | 108 Ų | 108 | 58.8 Ų | 58.8 | 58% | 0.578 | 29% | 0.294 | S | S | * | . | trans | -59.9 | 109.5 | 175.1 | -177.6 | 9.6 | 0 | 0 | 0 | 109.6 | F109 | D107-F109 PolarHBondContact O-N 3.3Š| ||
| 108 | Y | 56.4 | Low | 64.8 | Low | 66 Ų | 66 | 56.8 Ų | 56.8 | 26% | 0.259 | 29% | 0.288 | S | S | . | . | S | Bend | trans | 16.8 | 16.4 | 169.4 | -62.8 | -86.2 | 0 | 0 | 0 | 121.3 | N74 H106 E110 I111 S112 | N74-Y108 WeakPolarHBondContact ND2-CE2 3.24Å; N74-Y108 PolarHBondContact ND2-OH 3.43Å; H106-Y108 PolarHBondContact O-N 2.88Å; H106-Y108 VanDerWaalsContact O-N 3.16Å; Y108-E110 PolarHBondContact O-N 3.47Å; Y108-I111 HydrophobicContact CD1-CB 3.95Å; Y108-I111 HydrophobicContact CD1-CD1 3.27Å; Y108-I111 HydrophobicContact CD1-CG1 4.22Å; Y108-I111 HydrophobicContact CD1-CG2 3.9Å; Y108-I111 HydrophobicContact CE1-CD1 3.75Å; Y108-I111 HydrophobicContact CG-CD1 4.14Å; Y108-I111 CarbonylContact O-C 3.48Å; Y108-I111 PolarHBondContact O-N 3.32Å; Y108-I111 VanDerWaalsContact O-N 3.14Å; Y108-S112 WeakPolarHBondContact O-CA 3.12Å; Y108-S112 VanDerWaalsContact O-CB 3.23Å; Y108-S112 WeakPolarHBondContact O-CB 3.38Å; Y108-S112 PolarHBondContact O-N 2.67Å; Y108-S112 PolarHBondContact O-OG 2.9Å |
| 109 | F | 55.5 | Low | 63.4 | Low | 155 Ų | 155 | 61.5 Ų | 61.5 | 68% | 0.68 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -67.3 | -49.8 | -168.7 | -176.4 | -94.3 | 0 | 0 | 0 | 110.2 | D107 I111 S112 L113 | D107-F109 PolarHBondContact O-N 3.3Å; F109-I111 VanDerWaalsContact C-N 3.3Å; F109-I111 PolarHBondContact O-N 3.36Å; F109-S112 PolarHBondContact O-N 3.15Å; F109-S112 PolarHBondContact O-OG 2.86Å; F109-L113 PolarHBondContact O-N 3.1Å |
| 110 | E | 54.8 | Low | 62 | Low | 79 Ų | 79 | 62.4 Ų | 62.4 | 37% | 0.369 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -57.5 | -46.2 | 172.2 | -67.8 | -170.1 | 167.1 | 0 | 0 | 110.8 | Y108 S112 L113 W114 | Y108-E110 PolarHBondContact O-N 3.47Å; E110-S112 VanDerWaalsContact C-N 3.28Å; E110-S112 PolarHBondContact O-N 2.93Å; E110-L113 WeakPolarHBondContact O-CB 3.18Å; E110-L113 PolarHBondContact O-N 3.47Å; E110-L113 VanDerWaalsContact O-N 3.12Å; E110-W114 PolarHBondContact O-N 2.96Å |
| 111 | I | 57.9 | Low | 60.6 | Low | 17 Ų | 17 | 66.4 Ų | 66.4 | 9% | 0.087 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.4 | -37.5 | -179.1 | -61.5 | 158.4 | 0 | 0 | 0 | 111 | H102 Y108 F109 L113 W114 R115 | H102-I111 WeakPolarHBondContact CE1-CD1 3.46Å; H102-I111 WeakPolarHBondContact ND1-CD1 3.47Å; Y108-I111 HydrophobicContact CD1-CB 3.95Å; Y108-I111 HydrophobicContact CD1-CD1 3.27Å; Y108-I111 HydrophobicContact CD1-CG1 4.22Å; Y108-I111 HydrophobicContact CD1-CG2 3.9Å; Y108-I111 HydrophobicContact CE1-CD1 3.75Å; Y108-I111 HydrophobicContact CG-CD1 4.14Å; Y108-I111 CarbonylContact O-C 3.48Å; Y108-I111 PolarHBondContact O-N 3.32Å; Y108-I111 VanDerWaalsContact O-N 3.14Å; F109-I111 VanDerWaalsContact C-N 3.3Å; F109-I111 PolarHBondContact O-N 3.36Å; I111-L113 VanDerWaalsContact C-N 3.35Å; I111-W114 PolarHBondContact O-N 3.08Å; I111-R115 HydrophobicContact CG2-CG 4.1Å; I111-R115 WeakPolarHBondContact O-CB 3.3Å; I111-R115 VanDerWaalsContact O-CG 3.24Å; I111-R115 WeakPolarHBondContact O-CG 3.16Å; I111-R115 PolarHBondContact O-N 3.34Å |
| 112 | S | 57.8 | Low | 59.7 | Low | 44 Ų | 44 | 69.4 Ų | 69.4 | 31% | 0.308 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -69.9 | -35.8 | 177.3 | 78.7 | 0 | 0 | 0 | 0 | 110.6 | Y108 F109 E110 N116 G117 | Y108-S112 WeakPolarHBondContact O-CA 3.12Å; Y108-S112 VanDerWaalsContact O-CB 3.23Å; Y108-S112 WeakPolarHBondContact O-CB 3.38Å; Y108-S112 PolarHBondContact O-N 2.67Å; Y108-S112 PolarHBondContact O-OG 2.9Å; F109-S112 PolarHBondContact O-N 3.15Å; F109-S112 PolarHBondContact O-OG 2.86Å; E110-S112 VanDerWaalsContact C-N 3.28Å; E110-S112 PolarHBondContact O-N 2.93Å; S112-N116 CarbonylContact O-C 3.47Å; S112-N116 VanDerWaalsContact O-CA 3.27Å; S112-N116 WeakPolarHBondContact O-CA 3.27Å; S112-N116 VanDerWaalsContact O-CB 3.25Å; S112-N116 WeakPolarHBondContact O-CB 3.38Å; S112-N116 PolarHBondContact O-N 2.89Å; S112-G117 PolarHBondContact O-N 2.83Å |
| 113 | L | 55.7 | Low | 58.5 | Low | 48 Ų | 48 | 71.4 Ų | 71.4 | 25% | 0.251 | 37% | 0.369 | S | S | . | . | I | π-helix | trans | -63.7 | -53.2 | 172.2 | -172.9 | 70.2 | 0 | 0 | 0 | 109.7 | F109 E110 I111 R115 G117 L118 | F109-L113 PolarHBondContact O-N 3.1Å; E110-L113 WeakPolarHBondContact O-CB 3.18Å; E110-L113 PolarHBondContact O-N 3.47Å; E110-L113 VanDerWaalsContact O-N 3.12Å; I111-L113 VanDerWaalsContact C-N 3.35Å; L113-R115 PolarHBondContact O-N 2.76Å; L113-G117 CarbonylContact O-C 3.58Å; L113-G117 VanDerWaalsContact O-C 3.24Å; L113-G117 WeakPolarHBondContact O-CA 3.28Å; L113-G117 PolarHBondContact O-N 2.88Å; L113-L118 HydrophobicContact CG-CG 4.42Å; L113-L118 WeakPolarHBondContact O-CG 3.47Å; L113-L118 PolarHBondContact O-N 2.83Å |
| 114 | W | 53.3 | Low | 56.9 | Low | 67 Ų | 67 | 74.1 Ų | 74.1 | 25% | 0.254 | 38% | 0.383 | S | S | . | . | I | π-helix | trans | -61.9 | -41.8 | 179.9 | -65 | 115.1 | 0 | 0 | 0 | 113.2 | E110 I111 L118 I129 F133 | E110-W114 PolarHBondContact O-N 2.96Å; I111-W114 PolarHBondContact O-N 3.08Å; W114-L118 HydrophobicContact CD2-CD1 4.16Å; W114-L118 HydrophobicContact CE3-CD1 3.37Å; W114-L118 HydrophobicContact CH2-CD1 4.39Å; W114-L118 HydrophobicContact CZ3-CD1 3.51Å; W114-I129 HydrophobicContact CH2-CD1 4.08Å; W114-I129 HydrophobicContact CZ3-CD1 4.07Å; W114-F133 AromaticContact CH2-CE1 3.63Å; W114-F133 HydrophobicContact CH2-CE1 3.63Å; W114-F133 AromaticContact CH2-CZ 3.86Å; W114-F133 HydrophobicContact CH2-CZ 3.86Å; W114-F133 HydrophobicContact CZ2-CE1 4.4Å; W114-F133 HydrophobicContact CZ2-CZ 4.32Å |
| 115 | R | 54.3 | Low | 56 | Low | 88 Ų | 88 | 77.9 Ų | 77.9 | 33% | 0.332 | 40% | 0.399 | S | S | . | . | I | π-helix | trans | -88.6 | -36.4 | -174.8 | -66.3 | -176.6 | 178.5 | -173.7 | -9.4 | 114.8 | I111 L113 D150 | I111-R115 HydrophobicContact CG2-CG 4.1Å; I111-R115 WeakPolarHBondContact O-CB 3.3Å; I111-R115 VanDerWaalsContact O-CG 3.24Å; I111-R115 WeakPolarHBondContact O-CG 3.16Å; I111-R115 PolarHBondContact O-N 3.34Å; L113-R115 PolarHBondContact O-N 2.76Å; R115-D150 WeakPolarHBondContact CG-OD2 3.33Å; R115-D150 IonicContact CZ-OD2 3.14Å; R115-D150 IonicContact NE-OD1 2.68Å; R115-D150 IonicContact NE-OD2 3.25Å; R115-D150 PolarHBondContact NE-OD2 3.06Å; R115-D150 IonicContact NH2-OD1 3.28Å; R115-D150 PolarHBondContact NH2-OD1 3.24Å; R115-D150 IonicContact NH2-OD2 2.92Å |
| 116 | N | 52.8 | Low | 55.8 | Low | 121 Ų | 121 | 79.9 Ų | 79.9 | 65% | 0.647 | 41% | 0.413 | S | S | * | . | I | π-helix | trans | -118.6 | -22.2 | -172 | -59.3 | -38.1 | 0 | 0 | 0 | 113 | S112 N119 | S112-N116 CarbonylContact O-C 3.47Å; S112-N116 VanDerWaalsContact O-CA 3.27Å; S112-N116 WeakPolarHBondContact O-CA 3.27Å; S112-N116 VanDerWaalsContact O-CB 3.25Å; S112-N116 WeakPolarHBondContact O-CB 3.38Å; S112-N116 PolarHBondContact O-N 2.89Å; N116-N119 VanDerWaalsContact CA-ND2 3.31Å; N116-N119 WeakPolarHBondContact CA-ND2 3.34Å; N116-N119 PolarHBondContact O-ND2 3.4Å |
| 117 | G | 46.9 | Very low | 55.6 | Low | 23 Ų | 23 | 76.7 Ų | 76.7 | 24% | 0.237 | 40% | 0.4 | C | S | . | . | I | π-helix | trans | -100.4 | -8.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115 | S112 L113 D123 | S112-G117 PolarHBondContact O-N 2.83Å; L113-G117 CarbonylContact O-C 3.58Å; L113-G117 VanDerWaalsContact O-C 3.24Å; L113-G117 WeakPolarHBondContact O-CA 3.28Å; L113-G117 PolarHBondContact O-N 2.88Å; G117-D123 WeakPolarHBondContact O-CB 3.24Å |
| 118 | L | 49.6 | Very low | 56 | Low | 26 Ų | 26 | 79 Ų | 79 | 14% | 0.136 | 41% | 0.407 | C | S | . | . | trans | -122.2 | 45.8 | 179.5 | -60.1 | 178.1 | 0 | 0 | 0 | 111.5 | L113 W114 D123 L124 N127 I129 | L113-L118 HydrophobicContact CG-CG 4.42Å; L113-L118 WeakPolarHBondContact O-CG 3.47Å; L113-L118 PolarHBondContact O-N 2.83Å; W114-L118 HydrophobicContact CD2-CD1 4.16Å; W114-L118 HydrophobicContact CE3-CD1 3.37Å; W114-L118 HydrophobicContact CH2-CD1 4.39Å; W114-L118 HydrophobicContact CZ3-CD1 3.51Å; L118-D123 HydrophobicContact CD2-CB 4.28Å; L118-L124 HydrophobicContact CB-CD2 4.16Å; L118-L124 HydrophobicContact CD1-CD2 4.31Å; L118-L124 HydrophobicContact CD2-CD2 4.25Å; L118-L124 HydrophobicContact CG-CD2 4.47Å; L118-N127 HydrophobicContact CD2-CB 4.01Å; L118-N127 WeakPolarHBondContact CD2-ND2 3.41Å; L118-I129 HydrophobicContact CD1-CD1 3.33Å; L118-I129 HydrophobicContact CD2-CD1 3.66Å; L118-I129 HydrophobicContact CG-CD1 4.14Å | ||
| 119 | N | 54 | Low | 56 | Low | 119 Ų | 119 | 77 Ų | 77 | 64% | 0.636 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -89.2 | -3.9 | -174 | -79.2 | -49.8 | 0 | 0 | 0 | 113.8 | N116 D123 | N116-N119 VanDerWaalsContact CA-ND2 3.31Å; N116-N119 WeakPolarHBondContact CA-ND2 3.34Å; N116-N119 PolarHBondContact O-ND2 3.4Å; N119-D123 PolarHBondContact N-OD2 3.49Å; N119-D123 VanDerWaalsContact N-OD2 3.11Å |
| 120 | S | 49.8 | Very low | 56.3 | Low | 41 Ų | 41 | 73.5 Ų | 73.5 | 29% | 0.287 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -141 | 163.2 | -179.1 | 66.7 | 0 | 0 | 0 | 0 | 111.9 | E122 D123 L124 | S120-E122 WeakPolarHBondContact CB-OE2 3.41Å; S120-E122 PolarHBondContact O-N 3.1Å; S120-D123 PolarHBondContact N-OD2 2.75Å; S120-D123 WeakPolarHBondContact O-CB 3.47Å; S120-D123 PolarHBondContact O-N 2.83Å; S120-D123 PolarHBondContact OG-N 3.24Å; S120-D123 VanDerWaalsContact OG-N 3.13Å; S120-D123 PolarHBondContact OG-OD2 3.03Å; S120-L124 PolarHBondContact O-N 2.85Å |
| 121 | V | 53 | Low | 56.2 | Low | 93 Ų | 93 | 75.8 Ų | 75.8 | 56% | 0.564 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -63.9 | -34.8 | 175 | 175.6 | 0 | 0 | 0 | 0 | 110.4 | D123 L124 Q125 | V121-D123 VanDerWaalsContact C-N 3.33Å; V121-L124 WeakPolarHBondContact O-CB 3.26Å; V121-L124 PolarHBondContact O-N 3.03Å; V121-Q125 WeakPolarHBondContact O-CG 3.2Å; V121-Q125 PolarHBondContact O-N 3.5Å |
| 122 | E | 62.4 | Low | 55.9 | Low | 128 Ų | 128 | 79.2 Ų | 79.2 | 60% | 0.598 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62.1 | -40.7 | 175.2 | -66.2 | 73.1 | -163.8 | 0 | 0 | 111.5 | S120 Q125 A126 | S120-E122 WeakPolarHBondContact CB-OE2 3.41Å; S120-E122 PolarHBondContact O-N 3.1Å; E122-Q125 PolarHBondContact O-N 2.86Å; E122-A126 VanDerWaalsContact O-CB 3.28Å; E122-A126 WeakPolarHBondContact O-CB 3.34Å; E122-A126 PolarHBondContact O-N 3.38Å |
| 123 | D | 57.3 | Low | 55.2 | Low | 53 Ų | 53 | 80.9 Ų | 80.9 | 28% | 0.283 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 176.2 | -66.7 | -35.5 | 0 | 0 | 0 | 112.1 | G117 L118 N119 S120 V121 A126 N127 | G117-D123 WeakPolarHBondContact O-CB 3.24Å; L118-D123 HydrophobicContact CD2-CB 4.28Å; N119-D123 PolarHBondContact N-OD2 3.49Å; N119-D123 VanDerWaalsContact N-OD2 3.11Å; S120-D123 PolarHBondContact N-OD2 2.75Å; S120-D123 WeakPolarHBondContact O-CB 3.47Å; S120-D123 PolarHBondContact O-N 2.83Å; S120-D123 PolarHBondContact OG-N 3.24Å; S120-D123 VanDerWaalsContact OG-N 3.13Å; S120-D123 PolarHBondContact OG-OD2 3.03Å; V121-D123 VanDerWaalsContact C-N 3.33Å; D123-A126 PolarHBondContact O-N 3.24Å; D123-N127 PolarHBondContact O-N 2.9Å; D123-N127 PolarHBondContact O-ND2 2.75Å |
| 124 | L | 52.1 | Low | 54.7 | Low | 63 Ų | 63 | 79.9 Ų | 79.9 | 33% | 0.33 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.1 | -48.3 | 174.6 | -66.9 | 173.5 | 0 | 0 | 0 | 110.4 | L118 S120 V121 A126 N127 H128 I129 | L118-L124 HydrophobicContact CB-CD2 4.16Å; L118-L124 HydrophobicContact CD1-CD2 4.31Å; L118-L124 HydrophobicContact CD2-CD2 4.25Å; L118-L124 HydrophobicContact CG-CD2 4.47Å; S120-L124 PolarHBondContact O-N 2.85Å; V121-L124 WeakPolarHBondContact O-CB 3.26Å; V121-L124 PolarHBondContact O-N 3.03Å; L124-A126 PolarHBondContact O-N 2.88Å; L124-N127 CarbonylContact O-C 3.59Å; L124-N127 PolarHBondContact O-N 3.4Å; L124-H128 PolarHBondContact O-N 3.27Å; L124-I129 CarbonylContact C-O 3.38Å; L124-I129 HydrophobicContact CB-CB 4.41Å; L124-I129 HydrophobicContact CD2-CB 4.1Å; L124-I129 HydrophobicContact CD2-CG2 3.83Å; L124-I129 PolarHBondContact O-N 3.44Å |
| 125 | Q | 60.5 | Low | 54.3 | Low | 134 Ų | 134 | 79.5 Ų | 79.5 | 63% | 0.626 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -64.3 | -41.2 | 178 | -70.2 | 176.7 | -7.1 | 0 | 0 | 112.9 | V121 E122 N127 H128 | V121-Q125 WeakPolarHBondContact O-CG 3.2Å; V121-Q125 PolarHBondContact O-N 3.5Å; E122-Q125 PolarHBondContact O-N 2.86Å; Q125-N127 PolarHBondContact O-N 2.9Å; Q125-H128 PolarHBondContact O-N 2.72Å |
| 126 | A | 69 | Low | 53.7 | Low | 71 Ų | 71 | 77.5 Ų | 77.5 | 59% | 0.587 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -64.2 | -31 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E122 D123 L124 | E122-A126 VanDerWaalsContact O-CB 3.28Å; E122-A126 WeakPolarHBondContact O-CB 3.34Å; E122-A126 PolarHBondContact O-N 3.38Å; D123-A126 PolarHBondContact O-N 3.24Å; L124-A126 PolarHBondContact O-N 2.88Å |
| 127 | N | 60.1 | Low | 53.2 | Low | 66 Ų | 66 | 75 Ų | 75 | 35% | 0.353 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 8.2 | 175.1 | -69 | -78.6 | 0 | 0 | 0 | 113.3 | L118 D123 L124 Q125 I129 | L118-N127 HydrophobicContact CD2-CB 4.01Å; L118-N127 WeakPolarHBondContact CD2-ND2 3.41Å; D123-N127 PolarHBondContact O-N 2.9Å; D123-N127 PolarHBondContact O-ND2 2.75Å; L124-N127 CarbonylContact O-C 3.59Å; L124-N127 PolarHBondContact O-N 3.4Å; Q125-N127 PolarHBondContact O-N 2.9Å; N127-I129 HydrophobicContact CB-CD1 3.93Å; N127-I129 HydrophobicContact CB-CG1 4.02Å; N127-I129 PolarHBondContact O-N 2.88Å |
| 128 | H | 63.5 | Low | 53.6 | Low | 156 Ų | 156 | 84.8 Ų | 84.8 | 72% | 0.722 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 35.4 | -177.7 | -51.2 | -61.2 | 0 | 0 | 0 | 113.5 | L124 Q125 | L124-H128 PolarHBondContact O-N 3.27Å; Q125-H128 PolarHBondContact O-N 2.72Å |
| 129 | I | 55.7 | Low | 54.1 | Low | 26 Ų | 26 | 85.1 Ų | 85.1 | 13% | 0.133 | 45% | 0.448 | C | S | . | . | trans | -97.7 | 100.6 | 175.6 | -57.5 | 175.3 | 0 | 0 | 0 | 107.5 | W114 L118 L124 N127 F133 | W114-I129 HydrophobicContact CH2-CD1 4.08Å; W114-I129 HydrophobicContact CZ3-CD1 4.07Å; L118-I129 HydrophobicContact CD1-CD1 3.33Å; L118-I129 HydrophobicContact CD2-CD1 3.66Å; L118-I129 HydrophobicContact CG-CD1 4.14Å; L124-I129 CarbonylContact C-O 3.38Å; L124-I129 HydrophobicContact CB-CB 4.41Å; L124-I129 HydrophobicContact CD2-CB 4.1Å; L124-I129 HydrophobicContact CD2-CG2 3.83Å; L124-I129 PolarHBondContact O-N 3.44Å; N127-I129 HydrophobicContact CB-CD1 3.93Å; N127-I129 HydrophobicContact CB-CG1 4.02Å; N127-I129 PolarHBondContact O-N 2.88Å; I129-F133 HydrophobicContact CB-CG 4.36Å; I129-F133 HydrophobicContact CG1-CD2 4.12Å; I129-F133 HydrophobicContact CG1-CE2 4.22Å; I129-F133 HydrophobicContact CG1-CG 4.32Å; I129-F133 HydrophobicContact CG2-CB 4.16Å; I129-F133 HydrophobicContact CG2-CD1 3.94Å; I129-F133 HydrophobicContact CG2-CG 3.98Å | ||
| 130 | D | 61.1 | Low | 55 | Low | 80 Ų | 80 | 84.9 Ų | 84.9 | 43% | 0.428 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -124.6 | -171.6 | 176.3 | 64.8 | 21.5 | 0 | 0 | 0 | 110.9 | T132 F133 | D130-T132 PolarHBondContact O-N 3.12Å; D130-T132 VanDerWaalsContact O-N 3.08Å; D130-T132 VanDerWaalsContact OD1-CA 3.31Å; D130-T132 WeakPolarHBondContact OD1-CA 3.12Å; D130-T132 VanDerWaalsContact OD1-CB 3.24Å; D130-T132 WeakPolarHBondContact OD1-CB 3.42Å; D130-T132 PolarHBondContact OD1-N 3.47Å; D130-T132 PolarHBondContact OD1-OG1 3.18Å; D130-F133 VanDerWaalsContact O-CB 3.28Å; D130-F133 WeakPolarHBondContact O-CB 3.4Å; D130-F133 PolarHBondContact O-N 3.33Å; D130-F133 PolarHBondContact OD1-N 3.18Å |
| 131 | E | 53.7 | Low | 56.5 | Low | 127 Ų | 127 | 85.7 Ų | 85.7 | 59% | 0.593 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -21.6 | 175.6 | 59.6 | -94.1 | -150.2 | 0 | 0 | 115.4 | T134 | E131-T134 PolarHBondContact O-OG1 3.19Š|
| 132 | T | 51 | Low | 58.4 | Low | 90 Ų | 90 | 82.4 Ų | 82.4 | 55% | 0.552 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -22 | 179 | 78.2 | 0 | 0 | 0 | 0 | 111.6 | D130 T134 W135 | D130-T132 PolarHBondContact O-N 3.12Å; D130-T132 VanDerWaalsContact O-N 3.08Å; D130-T132 VanDerWaalsContact OD1-CA 3.31Å; D130-T132 WeakPolarHBondContact OD1-CA 3.12Å; D130-T132 VanDerWaalsContact OD1-CB 3.24Å; D130-T132 WeakPolarHBondContact OD1-CB 3.42Å; D130-T132 PolarHBondContact OD1-N 3.47Å; D130-T132 PolarHBondContact OD1-OG1 3.18Å; T132-T134 VanDerWaalsContact C-N 3.28Å; T132-T134 PolarHBondContact O-N 3.36Å; T132-W135 CarbonylContact O-C 3.55Å; T132-W135 PolarHBondContact O-N 3.18Å |
| 133 | F | 43.1 | Very low | 59.9 | Low | 78 Ų | 78 | 76.8 Ų | 76.8 | 34% | 0.342 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -36.3 | 178 | -176.5 | -89.5 | 0 | 0 | 0 | 112.5 | I98 W114 I129 D130 W135 | I98-F133 HydrophobicContact CG2-CD1 4.25Å; I98-F133 HydrophobicContact CG2-CE1 3.87Å; W114-F133 AromaticContact CH2-CE1 3.63Å; W114-F133 HydrophobicContact CH2-CE1 3.63Å; W114-F133 AromaticContact CH2-CZ 3.86Å; W114-F133 HydrophobicContact CH2-CZ 3.86Å; W114-F133 HydrophobicContact CZ2-CE1 4.4Å; W114-F133 HydrophobicContact CZ2-CZ 4.32Å; I129-F133 HydrophobicContact CB-CG 4.36Å; I129-F133 HydrophobicContact CG1-CD2 4.12Å; I129-F133 HydrophobicContact CG1-CE2 4.22Å; I129-F133 HydrophobicContact CG1-CG 4.32Å; I129-F133 HydrophobicContact CG2-CB 4.16Å; I129-F133 HydrophobicContact CG2-CD1 3.94Å; I129-F133 HydrophobicContact CG2-CG 3.98Å; D130-F133 VanDerWaalsContact O-CB 3.28Å; D130-F133 WeakPolarHBondContact O-CB 3.4Å; D130-F133 PolarHBondContact O-N 3.33Å; D130-F133 PolarHBondContact OD1-N 3.18Å; F133-W135 VanDerWaalsContact C-N 3.31Å |
| 134 | T | 45.2 | Very low | 61.7 | Low | 28 Ų | 28 | 74.4 Ų | 74.4 | 17% | 0.172 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -7.9 | 175.3 | 48.5 | 0 | 0 | 0 | 0 | 113.6 | E131 T132 M145 | E131-T134 PolarHBondContact O-OG1 3.19Å; T132-T134 VanDerWaalsContact C-N 3.28Å; T132-T134 PolarHBondContact O-N 3.36Å; T134-M145 WeakPolarHBondContact O-CE 3.47Å |
| 135 | W | 45.4 | Very low | 63.6 | Low | 59 Ų | 59 | 71.8 Ų | 71.8 | 22% | 0.223 | 37% | 0.374 | C | S | . | . | trans | -129.5 | 100.2 | -170.7 | -167.9 | -117.1 | 0 | 0 | 0 | 112.5 | T132 F133 A137 A208 L209 | T132-W135 CarbonylContact O-C 3.55Å; T132-W135 PolarHBondContact O-N 3.18Å; F133-W135 VanDerWaalsContact C-N 3.31Å; W135-A137 VanDerWaalsContact CD1-CA 3.41Å; W135-A137 HydrophobicContact CG-CB 4.42Å; W135-A137 VanDerWaalsContact NE1-CA 3.33Å; W135-A137 PolarHBondContact O-N 3.33Å; W135-A208 HydrophobicContact CD2-CB 3.85Å; W135-A208 HydrophobicContact CE3-CB 3.62Å; W135-A208 HydrophobicContact CH2-CB 3.57Å; W135-A208 WeakPolarHBondContact CH2-O 3.27Å; W135-A208 HydrophobicContact CZ2-CB 3.79Å; W135-A208 WeakPolarHBondContact CZ2-O 3.18Å; W135-A208 HydrophobicContact CZ3-CB 3.47Å; W135-A208 VanDerWaalsContact CZ3-CB 3.47Å; W135-L209 HydrophobicContact CH2-CD2 4.19Å | ||
| 136 | P | 41 | Very low | 65.2 | Low | 46 Ų | 46 | 65.7 Ų | 65.7 | 30% | 0.299 | 35% | 0.346 | S | S | . | . | trans | -73.5 | 83.1 | 163.5 | 30.7 | -25.8 | 0 | 0 | 0 | 106.9 | I98 R138 A139 M145 | I98-P136 HydrophobicContact CD1-CG 4.46Å; P136-R138 PolarHBondContact O-N 2.91Å; P136-A139 PolarHBondContact O-N 2.83Å; P136-M145 HydrophobicContact CG-CE 3.78Å; P136-M145 HydrophobicContact CG-SD 3.63Å | ||
| 137 | A | 43.9 | Very low | 66.2 | Low | 67 Ų | 67 | 62.5 Ų | 62.5 | 55% | 0.554 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 6.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | W135 | W135-A137 VanDerWaalsContact CD1-CA 3.41Å; W135-A137 HydrophobicContact CG-CB 4.42Å; W135-A137 VanDerWaalsContact NE1-CA 3.33Å; W135-A137 PolarHBondContact O-N 3.33Å |
| 138 | R | 53.7 | Low | 67.6 | Low | 230 Ų | 230 | 59.5 Ų | 59.5 | 87% | 0.868 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -155.3 | 33 | -168.2 | -60 | -172 | 178.2 | -179.8 | -0.4 | 113.7 | P136 D140 | P136-R138 PolarHBondContact O-N 2.91Å; R138-D140 PolarHBondContact O-N 3.38Å; R138-D140 VanDerWaalsContact O-N 3.16Å |
| 139 | A | 60.1 | Low | 68.6 | Low | 32 Ų | 32 | 53.2 Ų | 53.2 | 26% | 0.264 | 27% | 0.273 | S | S | . | . | trans | -68.5 | 114 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | P136 E141 F143 | P136-A139 PolarHBondContact O-N 2.83Å; A139-E141 PolarHBondContact O-N 3.47Å; A139-F143 HydrophobicContact CB-CB 3.99Å; A139-F143 HydrophobicContact CB-CD1 4.36Å; A139-F143 HydrophobicContact CB-CG 4.26Å | ||
| 140 | D | 72.6 | Confident | 69.5 | Low | 115 Ų | 115 | 52.7 Ų | 52.7 | 62% | 0.615 | 27% | 0.271 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 134.1 | 171.6 | -69.3 | -40.9 | 0 | 0 | 0 | 109 | H94 R138 | H94-D140 PolarHBondContact CD2-O 2.88Å; R138-D140 PolarHBondContact O-N 3.38Å; R138-D140 VanDerWaalsContact O-N 3.16Å |
| 141 | E | 81.8 | Confident | 69.8 | Low | 57 Ų | 57 | 51.6 Ų | 51.6 | 27% | 0.266 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -73.8 | 143.3 | 179.2 | -65.8 | -172.7 | -138.3 | 0 | 0 | 111.1 | K2 N5 A139 F143 N216 | K2-E141 WeakPolarHBondContact CE-OE2 3.09Å; K2-E141 IonicContact NZ-OE1 2.9Å; K2-E141 PolarHBondContact NZ-OE1 3.06Å; K2-E141 VanDerWaalsContact NZ-OE1 3.13Å; K2-E141 IonicContact NZ-OE2 2.91Å; K2-E141 PolarHBondContact NZ-OE2 2.73Å; N5-E141 PolarHBondContact ND2-OE2 2.96Å; A139-E141 PolarHBondContact O-N 3.47Å; E141-F143 HydrophobicContact CG-CD1 4.2Å; E141-F143 HydrophobicContact CG-CE1 4.4Å; E141-N216 PolarHBondContact OE2-ND2 2.68Å |
| 142 | P | 94 | Very high | 70.2 | Confident | 24 Ų | 24 | 45.6 Ų | 45.6 | 16% | 0.156 | 24% | 0.235 | C | C | . | . | S | Bend | cis | -88.9 | 146.2 | 4.9 | 37.6 | -36.3 | 0 | 0 | 0 | 112.7 | R3 N5 Y93 H94 | R3-P142 HydrophobicContact CB-CB 4.04Å; R3-P142 HydrophobicContact CB-CG 4.16Å; N5-P142 VanDerWaalsContact OD1-CA 3.29Å; N5-P142 WeakPolarHBondContact OD1-CA 3.46Å; Y93-P142 WeakPolarHBondContact CA-O 3.5Å; Y93-P142 HydrophobicContact CD1-CB 3.81Å; Y93-P142 HydrophobicContact CD1-CG 4.06Å; Y93-P142 HydrophobicContact CD2-CG 4.31Å; Y93-P142 HydrophobicContact CE1-CB 3.53Å; Y93-P142 HydrophobicContact CE1-CG 4.06Å; Y93-P142 HydrophobicContact CE2-CG 4.29Å; Y93-P142 HydrophobicContact CG-CB 4.43Å; Y93-P142 HydrophobicContact CG-CG 4.17Å; H94-P142 PolarHBondContact N-O 3.33Å |
| 143 | F | 93.6 | Very high | 70.5 | Confident | 10 Ų | 10 | 43.6 Ų | 43.6 | 4% | 0.044 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 151.5 | -179.3 | 69.1 | -99.9 | 0 | 0 | 0 | 114 | N5 F6 H94 A139 E141 M145 L209 T217 | N5-F143 CarbonylContact C-O 3.54Å; N5-F143 WeakPolarHBondContact CA-O 3.16Å; N5-F143 HydrophobicContact CB-CD1 3.89Å; N5-F143 HydrophobicContact CB-CD2 4.17Å; N5-F143 HydrophobicContact CB-CE1 3.56Å; N5-F143 HydrophobicContact CB-CE2 3.86Å; N5-F143 HydrophobicContact CB-CG 4.18Å; N5-F143 HydrophobicContact CB-CZ 3.55Å; N5-F143 WeakPolarHBondContact OD1-CD1 3.4Å; N5-F143 PolarHBondContact OD1-N 3.36Å; N5-F143 VanDerWaalsContact OD1-N 3.09Å; F6-F143 PolarHBondContact N-O 3.18Å; H94-F143 HydrophobicContact CB-CB 4.32Å; H94-F143 CarbonylContact O-C 3.58Å; H94-F143 VanDerWaalsContact O-CA 3.24Å; H94-F143 WeakPolarHBondContact O-CA 3.31Å; A139-F143 HydrophobicContact CB-CB 3.99Å; A139-F143 HydrophobicContact CB-CD1 4.36Å; A139-F143 HydrophobicContact CB-CG 4.26Å; E141-F143 HydrophobicContact CG-CD1 4.2Å; E141-F143 HydrophobicContact CG-CE1 4.4Å; F143-M145 HydrophobicContact CD2-CB 3.93Å; F143-M145 HydrophobicContact CE2-CB 4.18Å; F143-L209 HydrophobicContact CZ-CD2 4.38Å; F143-T217 HydrophobicContact CZ-CG2 4.42Å |
| 144 | L | 94.8 | Very high | 71.1 | Confident | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.016 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 115.4 | 160.8 | 166 | 64.5 | 0 | 0 | 0 | 107.2 | F6 M84 F88 H94 T95 C96 V146 M275 | F6-L144 HydrophobicContact CB-CD1 3.69Å; F6-L144 WeakPolarHBondContact O-CA 3.18Å; M84-L144 HydrophobicContact CG-CD2 3.67Å; M84-L144 HydrophobicContact SD-CD1 4.42Å; M84-L144 HydrophobicContact SD-CD2 4.04Å; F88-L144 HydrophobicContact CB-CB 4.37Å; F88-L144 HydrophobicContact CB-CD2 3.8Å; F88-L144 HydrophobicContact CD1-CB 4.02Å; F88-L144 HydrophobicContact CD1-CD2 4.11Å; F88-L144 HydrophobicContact CD2-CD2 3.8Å; F88-L144 HydrophobicContact CE2-CD2 4.46Å; F88-L144 HydrophobicContact CG-CB 4.26Å; F88-L144 HydrophobicContact CG-CD2 3.6Å; H94-L144 PolarHBondContact O-N 3.17Å; T95-L144 CarbonylContact C-O 3.6Å; T95-L144 VanDerWaalsContact CA-O 3.32Å; T95-L144 WeakPolarHBondContact CA-O 3.43Å; T95-L144 HydrophobicContact CG2-CB 4.39Å; C96-L144 PolarHBondContact N-O 2.85Å; L144-V146 HydrophobicContact CD1-CG2 4.4Å; L144-M275 HydrophobicContact CD1-CE 3.46Å; L144-M275 VanDerWaalsContact CD1-CE 3.46Å |
| 145 | M | 92.6 | Very high | 71.2 | Confident | 9 Ų | 9 | 41.6 Ų | 41.6 | 4% | 0.044 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 123 | 177.6 | 179.9 | 173.9 | 172.1 | 0 | 0 | 109.3 | F6 L7 F8 I98 T134 P136 F143 V147 | F6-M145 PolarHBondContact O-N 3.32Å; L7-M145 HydrophobicContact CD1-CB 4.38Å; L7-M145 HydrophobicContact CD1-CG 4.22Å; L7-M145 HydrophobicContact CD1-SD 4.26Å; F8-M145 PolarHBondContact N-O 3.14Å; I98-M145 HydrophobicContact CD1-CE 3.69Å; T134-M145 WeakPolarHBondContact O-CE 3.47Å; P136-M145 HydrophobicContact CG-CE 3.78Å; P136-M145 HydrophobicContact CG-SD 3.63Å; F143-M145 HydrophobicContact CD2-CB 3.93Å; F143-M145 HydrophobicContact CE2-CB 4.18Å; M145-V147 HydrophobicContact CE-CG2 3.59Å; M145-V147 HydrophobicContact CG-CG2 4.3Å |
| 146 | V | 92.7 | Very high | 71.4 | Confident | 6 Ų | 6 | 41 Ų | 41 | 4% | 0.036 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 126.8 | 173.3 | -174.7 | 0 | 0 | 0 | 0 | 109.4 | F8 F60 C96 Y97 I98 L144 | F8-V146 HydrophobicContact CB-CG2 4.16Å; F8-V146 HydrophobicContact CD1-CG1 4.2Å; F8-V146 CarbonylContact O-C 3.57Å; F8-V146 VanDerWaalsContact O-CA 3.25Å; F8-V146 WeakPolarHBondContact O-CA 3.38Å; F60-V146 HydrophobicContact CE1-CG1 3.93Å; F60-V146 HydrophobicContact CE1-CG2 4.28Å; F60-V146 HydrophobicContact CZ-CG1 3.98Å; C96-V146 PolarHBondContact O-N 3.32Å; Y97-V146 CarbonylContact C-O 3.55Å; Y97-V146 WeakPolarHBondContact CA-O 3.34Å; Y97-V146 HydrophobicContact CD2-CB 3.58Å; Y97-V146 HydrophobicContact CD2-CG1 3.71Å; Y97-V146 HydrophobicContact CD2-CG2 4.14Å; Y97-V146 HydrophobicContact CE2-CB 3.87Å; Y97-V146 HydrophobicContact CE2-CG1 3.42Å; Y97-V146 VanDerWaalsContact CE2-CG1 3.42Å; Y97-V146 HydrophobicContact CE2-CG2 4.5Å; Y97-V146 HydrophobicContact CG-CB 4.31Å; I98-V146 PolarHBondContact N-O 3.39Å; L144-V146 HydrophobicContact CD1-CG2 4.4Å |
| 147 | V | 90.9 | Very high | 71.6 | Confident | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.024 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 111.7 | 171.6 | -175.2 | 0 | 0 | 0 | 0 | 107.8 | L7 F8 V9 M10 M145 Y149 V205 | L7-V147 HydrophobicContact CD1-CG2 4.22Å; F8-V147 PolarHBondContact O-N 3.48Å; V9-V147 CarbonylContact C-O 3.46Å; V9-V147 WeakPolarHBondContact CA-O 3.41Å; M10-V147 PolarHBondContact N-O 2.99Å; M145-V147 HydrophobicContact CE-CG2 3.59Å; M145-V147 HydrophobicContact CG-CG2 4.3Å; V147-Y149 HydrophobicContact CG1-CD2 4.33Å; V147-Y149 HydrophobicContact CG1-CE1 4.32Å; V147-Y149 HydrophobicContact CG1-CE2 3.66Å; V147-V205 HydrophobicContact CG2-CG1 4.15Å |
| 148 | S | 89 | Confident | 71.9 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.014 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 104.2 | -176.7 | 175.4 | 0 | 0 | 0 | 0 | 111.3 | M10 R56 Y97 I98 G99 K100 | M10-S148 CarbonylContact O-C 3.46Å; M10-S148 WeakPolarHBondContact O-CA 3.49Å; R56-S148 PolarHBondContact NH1-OG 2.89Å; Y97-S148 WeakPolarHBondContact OH-CB 3.2Å; Y97-S148 PolarHBondContact OH-OG 2.94Å; I98-S148 PolarHBondContact O-N 3.28Å; G99-S148 CarbonylContact C-O 3.58Å; G99-S148 VanDerWaalsContact CA-O 3.28Å; G99-S148 WeakPolarHBondContact CA-O 3.21Å; K100-S148 PolarHBondContact N-O 3.15Å; K100-S148 WeakPolarHBondContact O-CB 3.41Å; K100-S148 PolarHBondContact O-OG 3.23Å |
| 149 | Y | 84.1 | Confident | 72 | Confident | 24 Ų | 24 | 38.4 Ų | 38.4 | 9% | 0.094 | 20% | 0.202 | C | C | . | . | trans | -75 | 153.7 | 174.3 | -60.5 | -80.4 | 0 | 0 | 0 | 111.6 | V9 M10 D12 V147 V198 Q201 I202 V205 | V9-Y149 HydrophobicContact CG1-CD2 4.29Å; V9-Y149 HydrophobicContact CG1-CE2 3.84Å; M10-Y149 PolarHBondContact O-N 3.25Å; D12-Y149 PolarHBondContact N-O 2.93Å; V147-Y149 HydrophobicContact CG1-CD2 4.33Å; V147-Y149 HydrophobicContact CG1-CE1 4.32Å; V147-Y149 HydrophobicContact CG1-CE2 3.66Å; Y149-V198 HydrophobicContact CD1-CG2 3.95Å; Y149-V198 HydrophobicContact CD2-CG2 3.88Å; Y149-V198 HydrophobicContact CG-CG2 3.54Å; Y149-Q201 HydrophobicContact CE1-CB 3.66Å; Y149-Q201 HydrophobicContact CE1-CG 4.43Å; Y149-Q201 PolarHBondContact OH-O 3.31Å; Y149-I202 HydrophobicContact CD2-CG1 4.18Å; Y149-I202 HydrophobicContact CE2-CG1 3.67Å; Y149-V205 VanDerWaalsContact OH-CG2 3.28Å; Y149-V205 WeakPolarHBondContact OH-CG2 3.31Å | ||
| 150 | D | 75.5 | Confident | 72.4 | Confident | 15 Ų | 15 | 37.1 Ų | 37.1 | 8% | 0.08 | 19% | 0.19 | C | C | . | . | trans | -92.6 | -13.2 | 169.5 | -169.8 | 39.6 | 0 | 0 | 0 | 111.3 | D12 K100 R115 | D12-D150 WeakPolarHBondContact CB-O 3.43Å; K100-D150 HydrophobicContact CB-CB 4.45Å; K100-D150 HydrophobicContact CD-CB 4.04Å; K100-D150 WeakPolarHBondContact CD-OD1 3.33Å; K100-D150 WeakPolarHBondContact CE-OD1 3.43Å; K100-D150 IonicContact NZ-OD1 2.74Å; K100-D150 PolarHBondContact NZ-OD1 3.01Å; R115-D150 WeakPolarHBondContact CG-OD2 3.33Å; R115-D150 IonicContact CZ-OD2 3.14Å; R115-D150 IonicContact NE-OD1 2.68Å; R115-D150 IonicContact NE-OD2 3.25Å; R115-D150 PolarHBondContact NE-OD2 3.06Å; R115-D150 IonicContact NH2-OD1 3.28Å; R115-D150 PolarHBondContact NH2-OD1 3.24Å; R115-D150 IonicContact NH2-OD2 2.92Å | ||
| 151 | E | 67.7 | Low | 72.8 | Confident | 58 Ų | 58 | 37.3 Ų | 37.3 | 27% | 0.271 | 19% | 0.191 | S | C | . | . | trans | -87.7 | 152.6 | 174.7 | -60.9 | 75.7 | -166.4 | 0 | 0 | 111.9 | T11 D12 C194 V198 | T11-E151 VanDerWaalsContact CB-O 3.32Å; T11-E151 WeakPolarHBondContact CB-O 3.48Å; D12-E151 PolarHBondContact N-O 3.37Å; E151-C194 HydrophobicContact CB-CB 4.28Å; E151-C194 HydrophobicContact CG-CB 4.28Å; E151-V198 HydrophobicContact CB-CB 3.98Å; E151-V198 HydrophobicContact CB-CG2 4.19Å | ||
| 152 | P | 62.1 | Low | 72.9 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.181 | C | C | . | . | cis | -96.1 | 143.7 | -5.2 | 37.1 | -29.8 | 0 | 0 | 0 | 112.5 | Q14 Y191 C194 N195 | Q14-P152 HydrophobicContact CB-CG 3.99Å; Q14-P152 HydrophobicContact CG-CG 3.8Å; P152-Y191 HydrophobicContact CB-CD2 3.94Å; P152-Y191 HydrophobicContact CB-CE2 3.54Å; P152-Y191 HydrophobicContact CG-CE2 3.95Å; P152-Y191 WeakPolarHBondContact O-CE2 3.37Å; P152-C194 HydrophobicContact CB-CB 4Å; P152-N195 HydrophobicContact CB-CB 4.11Å; P152-N195 HydrophobicContact CG-CB 4.27Å | ||
| 153 | H | 57.9 | Low | 72.6 | Confident | 49 Ų | 49 | 37.3 Ų | 37.3 | 23% | 0.227 | 20% | 0.202 | C | C | . | . | trans | -125.2 | 119.4 | -178.3 | -167 | -105.1 | 0 | 0 | 0 | 113.8 | D12 Y191 K237 | D12-H153 IonicContact OD2-CD2 3.52Å; H153-Y191 VanDerWaalsContact C-CE2 3.47Å; H153-K237 PolarHBondContact NE2-NZ 3.49Å | ||
| 154 | H | 55.5 | Low | 72.4 | Confident | 57 Ų | 57 | 40 Ų | 40 | 26% | 0.264 | 22% | 0.217 | S | C | . | . | trans | 68.6 | 160.2 | 172.2 | -57.4 | -49 | 0 | 0 | 0 | 120.6 | Y186 Y191 E227 | H154-Y186 PolarHBondContact O-OH 2.99Å; H154-Y186 VanDerWaalsContact O-OH 3.04Å; H154-Y191 VanDerWaalsContact C-CD2 3.44Å; H154-Y191 VanDerWaalsContact N-CD2 3.35Å; H154-Y191 VanDerWaalsContact N-CE2 3.3Å; H154-Y191 WeakPolarHBondContact O-CB 3.46Å; H154-Y191 WeakPolarHBondContact O-CD2 3.27Å; H154-E227 IonicContact CE1-OE2 3.45Å; H154-E227 IonicContact ND1-OE2 2.74Å; H154-E227 PolarHBondContact ND1-OE2 3.02Å | ||
| 155 | P | 46.8 | Very low | 72.3 | Confident | 6 Ų | 6 | 40 Ų | 40 | 4% | 0.039 | 22% | 0.217 | C | C | . | . | -121.7 | -151.7 | -60.1 | 29.8 | -14.1 | 0 | 0 | 0 | 116.2 | Y186 M229 I235 | P155-Y186 HydrophobicContact CB-CE2 4.39Å; P155-Y186 VanDerWaalsContact CD-CE2 3.48Å; P155-Y186 VanDerWaalsContact CD-CZ 3.49Å; P155-Y186 WeakPolarHBondContact CD-OH 3.41Å; P155-Y186 HydrophobicContact CG-CE2 3.9Å; P155-Y186 WeakPolarHBondContact O-CE2 3.2Å; P155-Y186 PolarHBondContact O-OH 3.38Å; P155-M229 WeakPolarHBondContact O-CE 3.38Å; P155-I235 HydrophobicContact CB-CG2 4.2Å; P155-I235 HydrophobicContact CG-CG2 4.44Å | |||
| 156 | F | 49.3 | Very low | 72.2 | Confident | 47 Ų | 47 | 39.6 Ų | 39.6 | 21% | 0.206 | 22% | 0.215 | C | C | . | . | trans | -177.4 | -144.7 | 166 | -110.3 | -78.9 | 0 | 0 | 0 | 116.4 | P179 Y186 F192 M229 G230 | F156-P179 WeakPolarHBondContact O-CB 3.32Å; F156-P179 WeakPolarHBondContact O-CG 3.44Å; F156-Y186 HydrophobicContact CB-CD2 4.46Å; F156-Y186 HydrophobicContact CB-CE2 4.33Å; F156-Y186 AromaticContact CD1-CD2 3.81Å; F156-Y186 HydrophobicContact CD1-CD2 3.81Å; F156-Y186 HydrophobicContact CD1-CE2 4.41Å; F156-Y186 AromaticContact CD1-CG 3.85Å; F156-Y186 HydrophobicContact CD1-CG 3.85Å; F156-Y186 AromaticContact CD2-CD1 3.79Å; F156-Y186 HydrophobicContact CD2-CD1 3.79Å; F156-Y186 AromaticContact CD2-CD2 3.73Å; F156-Y186 HydrophobicContact CD2-CD2 3.73Å; F156-Y186 AromaticContact CD2-CE1 3.51Å; F156-Y186 HydrophobicContact CD2-CE1 3.51Å; F156-Y186 AromaticContact CD2-CE2 3.59Å; F156-Y186 HydrophobicContact CD2-CE2 3.59Å; F156-Y186 AromaticContact CD2-CG 3.79Å; F156-Y186 HydrophobicContact CD2-CG 3.79Å; F156-Y186 AromaticContact CD2-CZ 3.43Å; F156-Y186 VanDerWaalsContact CD2-CZ 3.43Å; F156-Y186 AromaticContact CE1-CD1 3.9Å; F156-Y186 HydrophobicContact CE1-CD1 3.9Å; F156-Y186 AromaticContact CE1-CD2 3.87Å; F156-Y186 HydrophobicContact CE1-CD2 3.87Å; F156-Y186 AromaticContact CE1-CG 3.39Å; F156-Y186 HydrophobicContact CE1-CG 3.39Å; F156-Y186 AromaticContact CE2-CD1 2.96Å; F156-Y186 HydrophobicContact CE2-CD1 2.96Å; F156-Y186 AromaticContact CE2-CD2 3.72Å; F156-Y186 HydrophobicContact CE2-CD2 3.72Å; F156-Y186 AromaticContact CE2-CE1 2.95Å; F156-Y186 HydrophobicContact CE2-CE1 2.95Å; F156-Y186 AromaticContact CE2-CE2 3.83Å; F156-Y186 HydrophobicContact CE2-CE2 3.83Å; F156-Y186 AromaticContact CE2-CG 3.26Å; F156-Y186 HydrophobicContact CE2-CG 3.26Å; F156-Y186 AromaticContact CE2-CZ 3.43Å; F156-Y186 VanDerWaalsContact CE2-CZ 3.43Å; F156-Y186 HydrophobicContact CG-CD1 4.48Å; F156-Y186 AromaticContact CG-CD2 3.74Å; F156-Y186 HydrophobicContact CG-CD2 3.74Å; F156-Y186 HydrophobicContact CG-CE1 4.46Å; F156-Y186 AromaticContact CG-CE2 3.87Å; F156-Y186 HydrophobicContact CG-CE2 3.87Å; F156-Y186 HydrophobicContact CG-CG 4.03Å; F156-Y186 AromaticContact CZ-CD1 3.05Å; F156-Y186 HydrophobicContact CZ-CD1 3.05Å; F156-Y186 AromaticContact CZ-CD2 3.82Å; F156-Y186 HydrophobicContact CZ-CD2 3.82Å; F156-Y186 AromaticContact CZ-CE1 3.62Å; F156-Y186 HydrophobicContact CZ-CE1 3.62Å; F156-Y186 HydrophobicContact CZ-CE2 4.39Å; F156-Y186 AromaticContact CZ-CG 3.06Å; F156-Y186 HydrophobicContact CZ-CG 3.06Å; F156-F192 HydrophobicContact CD2-CE1 4.48Å; F156-F192 AromaticContact CD2-CE2 3.75Å; F156-F192 HydrophobicContact CD2-CE2 3.75Å; F156-F192 AromaticContact CD2-CZ 3.54Å; F156-F192 HydrophobicContact CD2-CZ 3.54Å; F156-F192 AromaticContact CE2-CD2 3.9Å; F156-F192 HydrophobicContact CE2-CD2 3.9Å; F156-F192 HydrophobicContact CE2-CE1 4.4Å; F156-F192 AromaticContact CE2-CE2 2.95Å; F156-F192 HydrophobicContact CE2-CE2 2.95Å; F156-F192 AromaticContact CE2-CZ 3.24Å; F156-F192 HydrophobicContact CE2-CZ 3.24Å; F156-F192 HydrophobicContact CG-CZ 4.48Å; F156-F192 AromaticContact CZ-CE2 3.47Å; F156-F192 HydrophobicContact CZ-CE2 3.47Å; F156-F192 VanDerWaalsContact CZ-CE2 3.47Å; F156-F192 AromaticContact CZ-CZ 3.91Å; F156-F192 HydrophobicContact CZ-CZ 3.91Å; F156-M229 CarbonylContact C-O 3.45Å; F156-M229 HydrophobicContact CB-CB 4.22Å; F156-M229 HydrophobicContact CB-CE 3.7Å; F156-M229 HydrophobicContact CD2-CE 4.34Å; F156-M229 CarbonylContact O-C 3.57Å; F156-G230 WeakPolarHBondContact O-CA 3.49Å; F156-G230 PolarHBondContact O-N 2.73Å | ||
| 157 | T | 44.9 | Very low | 72.1 | Confident | 78 Ų | 78 | 44.5 Ų | 44.5 | 48% | 0.479 | 24% | 0.237 | S | C | . | . | trans | -126.9 | 132.7 | -156.5 | 52.5 | 0 | 0 | 0 | 0 | 119.4 | V180 M229 | T157-V180 HydrophobicContact CG2-CB 4.37Å; T157-V180 HydrophobicContact CG2-CG2 2.98Å; T157-M229 PolarHBondContact N-O 3.48Å | ||
| 158 | S | 49.7 | Very low | 72.1 | Confident | 48 Ų | 48 | 46 Ų | 46 | 34% | 0.336 | 24% | 0.244 | S | C | . | . | trans | -144.9 | 161.3 | 162.7 | -171.4 | 0 | 0 | 0 | 0 | 112.4 | G230 A231 | S158-G230 WeakPolarHBondContact CB-O 3.46Å; S158-G230 PolarHBondContact N-O 3.08Å; S158-G230 VanDerWaalsContact N-O 3.13Å; S158-A231 VanDerWaalsContact CB-CA 3.43Å | ||
| 159 | Q | 56.9 | Low | 72.1 | Confident | 163 Ų | 163 | 45.9 Ų | 45.9 | 76% | 0.762 | 24% | 0.243 | S | C | * | . | trans | -119.2 | 99.5 | 178 | -66.7 | -68.9 | -17.8 | 0 | 0 | 108.9 | ||||
| 160 | D | 68.8 | Low | 72.3 | Confident | 5 Ų | 5 | 49.6 Ų | 49.6 | 3% | 0.027 | 26% | 0.257 | C | S | . | . | trans | -122.9 | 134 | 170.9 | -171.7 | -14 | 0 | 0 | 0 | 108.7 | L162 K165 H232 K233 M351 | D160-L162 HydrophobicContact CB-CD2 4.35Å; D160-L162 HydrophobicContact CB-CG 4.49Å; D160-L162 PolarHBondContact O-N 3.47Å; D160-L162 PolarHBondContact OD1-N 2.93Å; D160-K165 WeakPolarHBondContact OD2-CE 3.3Å; D160-H232 HydrophobicContact CB-CB 4.32Å; D160-H232 IonicContact OD2-CE1 3.26Å; D160-H232 IonicContact OD2-CG 2.74Å; D160-H232 IonicContact OD2-ND1 3.84Å; D160-H232 PolarHBondContact OD2-ND1 2.87Å; D160-K233 WeakPolarHBondContact O-CD 3.32Å; D160-K233 WeakPolarHBondContact O-CE 3.45Å; D160-K233 WeakPolarHBondContact O-CG 3.17Å; D160-K233 PolarHBondContact O-NZ 2.68Å; D160-M351 HydrophobicContact CB-CE 3.66Å; D160-M351 VanDerWaalsContact CG-CE 3.49Å | ||
| 161 | D | 79.6 | Confident | 72.9 | Confident | 119 Ų | 119 | 53.3 Ų | 53.3 | 64% | 0.636 | 28% | 0.276 | S | S | * | . | trans | -76.1 | -13.7 | 177 | 71 | 16.4 | 0 | 0 | 0 | 113.1 | A163 | D161-A163 PolarHBondContact O-N 2.99Å; D161-A163 VanDerWaalsContact O-N 3.13Å; D161-A163 VanDerWaalsContact OD1-CB 3.27Å; D161-A163 WeakPolarHBondContact OD1-CB 3.42Å; D161-A163 PolarHBondContact OD1-N 3.21Å | ||
| 162 | L | 84.1 | Confident | 73.7 | Confident | 7 Ų | 7 | 52 Ų | 52 | 4% | 0.037 | 27% | 0.269 | C | S | . | . | trans | 57.8 | 16 | -178.9 | -62.1 | 174.1 | 0 | 0 | 0 | 114.2 | D160 N164 K165 H169 R170 A173 H232 K233 | D160-L162 HydrophobicContact CB-CD2 4.35Å; D160-L162 HydrophobicContact CB-CG 4.49Å; D160-L162 PolarHBondContact O-N 3.47Å; D160-L162 PolarHBondContact OD1-N 2.93Å; L162-N164 PolarHBondContact O-N 3.04Å; L162-K165 HydrophobicContact CB-CB 4.32Å; L162-K165 HydrophobicContact CB-CG 4.25Å; L162-K165 HydrophobicContact CD2-CB 4.11Å; L162-K165 HydrophobicContact CD2-CG 3.71Å; L162-K165 WeakPolarHBondContact O-CB 3.38Å; L162-K165 PolarHBondContact O-N 3.02Å; L162-H169 HydrophobicContact CD2-CB 4.42Å; L162-R170 HydrophobicContact CB-CG 3.64Å; L162-R170 HydrophobicContact CD1-CG 4.28Å; L162-R170 WeakPolarHBondContact O-CD 3.35Å; L162-A173 HydrophobicContact CD1-CB 3.63Å; L162-H232 WeakPolarHBondContact CD1-O 3.25Å; L162-H232 HydrophobicContact CD2-CB 4.08Å; L162-H232 VanDerWaalsContact CD2-O 3.3Å; L162-H232 WeakPolarHBondContact CD2-O 3.19Å; L162-K233 HydrophobicContact CD1-CB 4.44Å | ||
| 163 | A | 88.5 | Confident | 74.6 | Confident | 73 Ų | 73 | 53.2 Ų | 53.2 | 60% | 0.603 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -34.1 | -167.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D161 | D161-A163 PolarHBondContact O-N 2.99Å; D161-A163 VanDerWaalsContact O-N 3.13Å; D161-A163 VanDerWaalsContact OD1-CB 3.27Å; D161-A163 WeakPolarHBondContact OD1-CB 3.42Å; D161-A163 PolarHBondContact OD1-N 3.21Å |
| 164 | N | 89 | Confident | 75.7 | Confident | 66 Ų | 66 | 58.2 Ų | 58.2 | 35% | 0.353 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 16.5 | 177.2 | 65.8 | -7.1 | 0 | 0 | 0 | 113.1 | L162 N353 | L162-N164 PolarHBondContact O-N 3.04Å; N164-N353 PolarHBondContact ND2-N 3.21Å; N164-N353 WeakPolarHBondContact O-CB 3.16Å; N164-N353 PolarHBondContact O-ND2 2.7Å |
| 165 | K | 92.2 | Very high | 77 | Confident | 5 Ų | 5 | 59.4 Ų | 59.4 | 2% | 0.022 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -98.6 | 157.9 | -177.8 | -57.5 | -57.4 | -164.3 | 178.5 | 0 | 112.4 | D160 L162 H169 R170 Y242 Y342 E350 M351 | D160-K165 WeakPolarHBondContact OD2-CE 3.3Å; L162-K165 HydrophobicContact CB-CB 4.32Å; L162-K165 HydrophobicContact CB-CG 4.25Å; L162-K165 HydrophobicContact CD2-CB 4.11Å; L162-K165 HydrophobicContact CD2-CG 3.71Å; L162-K165 WeakPolarHBondContact O-CB 3.38Å; L162-K165 PolarHBondContact O-N 3.02Å; K165-H169 HydrophobicContact CB-CB 4.5Å; K165-R170 PolarHBondContact O-NH2 3.26Å; K165-Y242 WeakPolarHBondContact CD-OH 2.93Å; K165-Y242 WeakPolarHBondContact CE-OH 2.84Å; K165-Y342 WeakPolarHBondContact CD-OH 3.2Å; K165-Y342 PolarHBondContact NZ-OH 2.93Å; K165-E350 PolarHBondContact NZ-O 2.74Å; K165-M351 WeakPolarHBondContact CE-O 3.46Å; K165-M351 PolarHBondContact NZ-O 3.24Å |
| 166 | P | 91.6 | Very high | 78.4 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | trans | -48.5 | 146.3 | 171.1 | -28.6 | 34.6 | 0 | 0 | 0 | 113.6 | H168 H169 T337 S338 E340 | P166-H168 VanDerWaalsContact C-N 3.29Å; P166-H168 VanDerWaalsContact CB-CE1 3.45Å; P166-H168 WeakPolarHBondContact CB-CE1 3.28Å; P166-H168 VanDerWaalsContact CB-ND1 3.3Å; P166-H168 WeakPolarHBondContact CB-ND1 3.26Å; P166-H168 PolarHBondContact O-N 3.12Å; P166-H169 WeakPolarHBondContact O-CB 3.14Å; P166-H169 PolarHBondContact O-N 2.85Å; P166-T337 HydrophobicContact CB-CG2 3.92Å; P166-S338 VanDerWaalsContact CA-OG 3.32Å; P166-S338 WeakPolarHBondContact CA-OG 3.21Å; P166-S338 WeakPolarHBondContact CG-OG 3.48Å; P166-E340 HydrophobicContact CG-CG 3.64Å | ||
| 167 | E | 91.2 | Very high | 79.5 | Confident | 108 Ų | 108 | 64.6 Ų | 64.6 | 51% | 0.505 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.3 | -38 | -175.9 | -178.3 | 175.3 | -167.7 | 0 | 0 | 112.7 | H169 R170 L171 | E167-H169 VanDerWaalsContact C-N 3.26Å; E167-H169 PolarHBondContact O-N 3.18Å; E167-R170 WeakPolarHBondContact O-CB 3.49Å; E167-R170 PolarHBondContact O-N 3.42Å; E167-L171 HydrophobicContact CG-CD1 4.1Å; E167-L171 HydrophobicContact CG-CG 4.33Å; E167-L171 PolarHBondContact O-N 3.09Å |
| 168 | H | 89.6 | Confident | 80.7 | Confident | 36 Ų | 36 | 64.4 Ų | 64.4 | 17% | 0.167 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.4 | -28.8 | -179.1 | 74.2 | -62.8 | 0 | 0 | 0 | 112.7 | P166 L171 W172 A239 | P166-H168 VanDerWaalsContact C-N 3.29Å; P166-H168 VanDerWaalsContact CB-CE1 3.45Å; P166-H168 WeakPolarHBondContact CB-CE1 3.28Å; P166-H168 VanDerWaalsContact CB-ND1 3.3Å; P166-H168 WeakPolarHBondContact CB-ND1 3.26Å; P166-H168 PolarHBondContact O-N 3.12Å; H168-L171 PolarHBondContact O-N 2.9Å; H168-W172 WeakPolarHBondContact O-CB 3.41Å; H168-W172 PolarHBondContact O-N 2.9Å; H168-A239 PolarHBondContact NE2-O 3.48Å |
| 169 | H | 88.7 | Confident | 81.4 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 172 | -63.9 | 170.6 | 0 | 0 | 0 | 111.1 | L162 K165 P166 E167 W172 A173 L234 A240 Y242 E340 | L162-H169 HydrophobicContact CD2-CB 4.42Å; K165-H169 HydrophobicContact CB-CB 4.5Å; P166-H169 WeakPolarHBondContact O-CB 3.14Å; P166-H169 PolarHBondContact O-N 2.85Å; E167-H169 VanDerWaalsContact C-N 3.26Å; E167-H169 PolarHBondContact O-N 3.18Å; H169-W172 PolarHBondContact O-N 3.24Å; H169-A173 WeakPolarHBondContact O-CB 3.42Å; H169-A173 PolarHBondContact O-N 3.31Å; H169-L234 HydrophobicContact CB-CD1 4.44Å; H169-L234 HydrophobicContact CB-CD2 4.48Å; H169-L234 WeakPolarHBondContact O-CD2 3.41Å; H169-A240 WeakPolarHBondContact NE2-CB 3.2Å; H169-Y242 AromaticContact CE1-CE2 3.93Å; H169-Y242 AromaticContact CE1-CZ 3.81Å; H169-Y242 AromaticContact ND1-CE2 3.97Å; H169-Y242 AromaticContact ND1-CZ 3.79Å; H169-Y242 PolarHBondContact ND1-OH 2.99Å; H169-Y242 VanDerWaalsContact ND1-OH 3.1Å; H169-E340 IonicContact CE1-OE1 3.61Å; H169-E340 IonicContact CE1-OE2 2.98Å |
| 170 | R | 88.5 | Confident | 81.8 | Confident | 102 Ų | 102 | 56.9 Ų | 56.9 | 39% | 0.385 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.4 | -42.3 | 177.2 | -72.3 | -178.2 | -87.2 | 128 | -3.9 | 111.9 | L162 K165 E167 Q174 | L162-R170 HydrophobicContact CB-CG 3.64Å; L162-R170 HydrophobicContact CD1-CG 4.28Å; L162-R170 WeakPolarHBondContact O-CD 3.35Å; K165-R170 PolarHBondContact O-NH2 3.26Å; E167-R170 WeakPolarHBondContact O-CB 3.49Å; E167-R170 PolarHBondContact O-N 3.42Å; R170-Q174 VanDerWaalsContact O-CG 3.27Å; R170-Q174 WeakPolarHBondContact O-CG 3.44Å; R170-Q174 PolarHBondContact O-N 2.61Å; R170-Q174 VanDerWaalsContact O-N 3.15Å |
| 171 | L | 87.9 | Confident | 81.6 | Confident | 93 Ų | 93 | 57.3 Ų | 57.3 | 49% | 0.487 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.2 | -41.8 | 175.7 | -65.9 | 174.1 | 0 | 0 | 0 | 111.6 | E167 H168 Q174 A175 | E167-L171 HydrophobicContact CG-CD1 4.1Å; E167-L171 HydrophobicContact CG-CG 4.33Å; E167-L171 PolarHBondContact O-N 3.09Å; H168-L171 PolarHBondContact O-N 2.9Å; L171-Q174 PolarHBondContact O-N 3.04Å; L171-A175 WeakPolarHBondContact O-CB 3.4Å; L171-A175 PolarHBondContact O-N 3.23Å |
| 172 | W | 84.8 | Confident | 81.3 | Confident | 29 Ų | 29 | 60.5 Ų | 60.5 | 11% | 0.11 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.1 | -47.2 | 176.6 | -177.5 | 16.1 | 0 | 0 | 0 | 111.8 | H168 H169 Q174 A175 M176 M228 L234 I235 A240 F315 | H168-W172 WeakPolarHBondContact O-CB 3.41Å; H168-W172 PolarHBondContact O-N 2.9Å; H169-W172 PolarHBondContact O-N 3.24Å; W172-Q174 VanDerWaalsContact C-N 3.25Å; W172-Q174 PolarHBondContact O-N 3.48Å; W172-A175 PolarHBondContact O-N 2.93Å; W172-M176 VanDerWaalsContact CD1-CG 3.47Å; W172-M176 WeakPolarHBondContact O-CG 3.4Å; W172-M176 PolarHBondContact O-N 3.37Å; W172-M228 HydrophobicContact CH2-CE 4.29Å; W172-M228 HydrophobicContact CH2-CG 4.19Å; W172-M228 HydrophobicContact CZ3-CE 4.18Å; W172-L234 HydrophobicContact CB-CD2 4.08Å; W172-L234 HydrophobicContact CD2-CB 4.46Å; W172-L234 HydrophobicContact CD2-CD2 3.83Å; W172-L234 HydrophobicContact CE3-CB 4.26Å; W172-L234 HydrophobicContact CE3-CD1 3.72Å; W172-L234 HydrophobicContact CE3-CD2 3.69Å; W172-L234 HydrophobicContact CE3-CG 4.09Å; W172-L234 HydrophobicContact CG-CD2 4.02Å; W172-L234 HydrophobicContact CH2-CB 4.36Å; W172-L234 HydrophobicContact CZ3-CB 4.2Å; W172-L234 HydrophobicContact CZ3-CD1 3.7Å; W172-L234 HydrophobicContact CZ3-CD2 4.41Å; W172-L234 HydrophobicContact CZ3-CG 4.31Å; W172-I235 WeakPolarHBondContact CZ2-O 3.19Å; W172-I235 PolarHBondContact NE1-O 3.23Å; W172-A240 HydrophobicContact CZ3-CB 3.91Å; W172-F315 HydrophobicContact CZ2-CE1 4.23Å; W172-F315 AromaticContact NE1-CE1 3.94Å |
| 173 | A | 80.7 | Confident | 80.9 | Confident | 26 Ų | 26 | 65.4 Ų | 65.4 | 22% | 0.215 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.3 | -32.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L162 H169 K233 L234 | L162-A173 HydrophobicContact CD1-CB 3.63Å; H169-A173 WeakPolarHBondContact O-CB 3.42Å; H169-A173 PolarHBondContact O-N 3.31Å; A173-K233 HydrophobicContact CB-CB 4.25Å; A173-K233 WeakPolarHBondContact CB-O 3.25Å; A173-L234 HydrophobicContact CB-CD2 3.98Å |
| 174 | Q | 82.7 | Confident | 79.9 | Confident | 154 Ų | 154 | 64.8 Ų | 64.8 | 72% | 0.72 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -77.6 | -32 | 177.1 | -72.4 | 172.2 | 11.5 | 0 | 0 | 113.2 | R170 L171 W172 | R170-Q174 VanDerWaalsContact O-CG 3.27Å; R170-Q174 WeakPolarHBondContact O-CG 3.44Å; R170-Q174 PolarHBondContact O-N 2.61Å; R170-Q174 VanDerWaalsContact O-N 3.15Å; L171-Q174 PolarHBondContact O-N 3.04Å; W172-Q174 VanDerWaalsContact C-N 3.25Å; W172-Q174 PolarHBondContact O-N 3.48Å |
| 175 | A | 81.8 | Confident | 78.7 | Confident | 82 Ų | 82 | 67.2 Ų | 67.2 | 68% | 0.678 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -80.3 | -23.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L171 W172 | L171-A175 WeakPolarHBondContact O-CB 3.4Å; L171-A175 PolarHBondContact O-N 3.23Å; W172-A175 PolarHBondContact O-N 2.93Å |
| 176 | M | 77.1 | Confident | 77.4 | Confident | 65 Ų | 65 | 68.1 Ų | 68.1 | 32% | 0.32 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -96.8 | 146.8 | -177 | -64.2 | -62.9 | -72.8 | 0 | 0 | 111.6 | W172 | W172-M176 VanDerWaalsContact CD1-CG 3.47Å; W172-M176 WeakPolarHBondContact O-CG 3.4Å; W172-M176 PolarHBondContact O-N 3.37Å |
| 177 | P | 71.4 | Confident | 76 | Confident | 97 Ų | 97 | 73 Ų | 73 | 63% | 0.63 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 154.1 | 175.2 | 27.7 | -34.7 | 0 | 0 | 0 | 110.8 | I235 | P177-I235 WeakPolarHBondContact O-CD1 3.3Š|
| 178 | S | 70.1 | Confident | 74.7 | Confident | 75 Ų | 75 | 73 Ų | 73 | 52% | 0.524 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 141 | 170.3 | 174.4 | 0 | 0 | 0 | 0 | 110.3 | V180 H187 | S178-V180 WeakPolarHBondContact CB-O 3.48Å; S178-V180 PolarHBondContact O-N 2.85Å; S178-V180 PolarHBondContact OG-N 2.82Å; S178-V180 PolarHBondContact OG-O 3.37Å; S178-H187 PolarHBondContact O-CD2 2.81Å |
| 179 | P | 64.6 | Low | 73.5 | Confident | 21 Ų | 21 | 75 Ų | 75 | 14% | 0.136 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -75.1 | -11.5 | 174.9 | 28.7 | -26.4 | 0 | 0 | 0 | 112.4 | F156 Y186 H187 I235 | F156-P179 WeakPolarHBondContact O-CB 3.32Å; F156-P179 WeakPolarHBondContact O-CG 3.44Å; P179-Y186 WeakPolarHBondContact O-CD2 3.36Å; P179-H187 PolarHBondContact O-N 3.47Å; P179-I235 HydrophobicContact CB-CD1 3.69Å; P179-I235 HydrophobicContact CB-CG1 4.13Å; P179-I235 HydrophobicContact CG-CD1 3.95Å; P179-I235 HydrophobicContact CG-CG1 4.17Å |
| 180 | V | 64.7 | Low | 72.2 | Confident | 31 Ų | 31 | 81.3 Ų | 81.3 | 19% | 0.188 | 46% | 0.458 | C | S | . | . | B | Isolated β-bridge | trans | -116 | 136.5 | -178.5 | -157.2 | 0 | 0 | 0 | 0 | 109.2 | T157 S178 G184 L185 | T157-V180 HydrophobicContact CG2-CB 4.37Å; T157-V180 HydrophobicContact CG2-CG2 2.98Å; S178-V180 WeakPolarHBondContact CB-O 3.48Å; S178-V180 PolarHBondContact O-N 2.85Å; S178-V180 PolarHBondContact OG-N 2.82Å; S178-V180 PolarHBondContact OG-O 3.37Å; V180-G184 VanDerWaalsContact CG1-CA 3.46Å; V180-G184 WeakPolarHBondContact CG1-O 3.46Å; V180-L185 WeakPolarHBondContact CA-O 3.44Å; V180-L185 WeakPolarHBondContact CG1-O 3.44Å |
| 181 | G | 64.9 | Low | 71.2 | Confident | 15 Ų | 15 | 76.6 Ų | 76.6 | 16% | 0.155 | 44% | 0.441 | C | S | . | . | trans | -68.5 | 166.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | D183 G184 L185 H187 | G181-D183 PolarHBondContact O-N 2.84Å; G181-D183 VanDerWaalsContact O-N 3.08Å; G181-G184 PolarHBondContact O-N 3.39Å; G181-L185 PolarHBondContact N-O 3.37Å; G181-H187 VanDerWaalsContact CA-CE1 3.46Å; G181-H187 WeakPolarHBondContact CA-CE1 3.5Å; G181-H187 PolarHBondContact N-CE1 3.06Å; G181-H187 PolarHBondContact N-NE2 2.91Å | ||
| 182 | D | 73.7 | Confident | 70.4 | Confident | 185 Ų | 185 | 76.2 Ų | 76.2 | 99% | 0.989 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -16.2 | 174.6 | -63.1 | -34.8 | 0 | 0 | 0 | 112.9 | G184 | D182-G184 VanDerWaalsContact C-N 3.26Š|
| 183 | D | 74.7 | Confident | 69.6 | Low | 111 Ų | 111 | 77.4 Ų | 77.4 | 59% | 0.594 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -2.8 | 175 | 62.2 | -3.9 | 0 | 0 | 0 | 113.8 | G181 L185 | G181-D183 PolarHBondContact O-N 2.84Å; G181-D183 VanDerWaalsContact O-N 3.08Å; D183-L185 PolarHBondContact O-N 2.81Å; D183-L185 WeakPolarHBondContact OD1-CB 3.32Å; D183-L185 PolarHBondContact OD1-N 3.41Å; D183-L185 WeakPolarHBondContact OD2-CD1 3.32Å |
| 184 | G | 67.7 | Low | 69.1 | Low | 60 Ų | 60 | 78.3 Ų | 78.3 | 62% | 0.619 | 46% | 0.456 | S | S | * | . | S | Bend | trans | 74.9 | 0 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | V180 G181 D182 | V180-G184 VanDerWaalsContact CG1-CA 3.46Å; V180-G184 WeakPolarHBondContact CG1-O 3.46Å; G181-G184 PolarHBondContact O-N 3.39Å; D182-G184 VanDerWaalsContact C-N 3.26Å |
| 185 | L | 64.4 | Low | 69 | Low | 117 Ų | 117 | 71.1 Ų | 71.1 | 61% | 0.613 | 42% | 0.422 | S | S | * | . | trans | -88.4 | 157.7 | 173.8 | -59 | 179.9 | 0 | 0 | 0 | 110.1 | V180 G181 D183 | V180-L185 WeakPolarHBondContact CA-O 3.44Å; V180-L185 WeakPolarHBondContact CG1-O 3.44Å; G181-L185 PolarHBondContact N-O 3.37Å; D183-L185 PolarHBondContact O-N 2.81Å; D183-L185 WeakPolarHBondContact OD1-CB 3.32Å; D183-L185 PolarHBondContact OD1-N 3.41Å; D183-L185 WeakPolarHBondContact OD2-CD1 3.32Å | ||
| 186 | Y | 65.5 | Low | 68.7 | Low | 23 Ų | 23 | 69.6 Ų | 69.6 | 9% | 0.09 | 40% | 0.403 | C | S | . | . | B | Isolated β-bridge | trans | -98.4 | 144.9 | -174.5 | 157 | -101 | 0 | 0 | 0 | 112.4 | H154 P155 F156 P179 H188 P189 | H154-Y186 PolarHBondContact O-OH 2.99Å; H154-Y186 VanDerWaalsContact O-OH 3.04Å; P155-Y186 HydrophobicContact CB-CE2 4.39Å; P155-Y186 VanDerWaalsContact CD-CE2 3.48Å; P155-Y186 VanDerWaalsContact CD-CZ 3.49Å; P155-Y186 WeakPolarHBondContact CD-OH 3.41Å; P155-Y186 HydrophobicContact CG-CE2 3.9Å; P155-Y186 WeakPolarHBondContact O-CE2 3.2Å; P155-Y186 PolarHBondContact O-OH 3.38Å; F156-Y186 HydrophobicContact CB-CD2 4.46Å; F156-Y186 HydrophobicContact CB-CE2 4.33Å; F156-Y186 AromaticContact CD1-CD2 3.81Å; F156-Y186 HydrophobicContact CD1-CD2 3.81Å; F156-Y186 HydrophobicContact CD1-CE2 4.41Å; F156-Y186 AromaticContact CD1-CG 3.85Å; F156-Y186 HydrophobicContact CD1-CG 3.85Å; F156-Y186 AromaticContact CD2-CD1 3.79Å; F156-Y186 HydrophobicContact CD2-CD1 3.79Å; F156-Y186 AromaticContact CD2-CD2 3.73Å; F156-Y186 HydrophobicContact CD2-CD2 3.73Å; F156-Y186 AromaticContact CD2-CE1 3.51Å; F156-Y186 HydrophobicContact CD2-CE1 3.51Å; F156-Y186 AromaticContact CD2-CE2 3.59Å; F156-Y186 HydrophobicContact CD2-CE2 3.59Å; F156-Y186 AromaticContact CD2-CG 3.79Å; F156-Y186 HydrophobicContact CD2-CG 3.79Å; F156-Y186 AromaticContact CD2-CZ 3.43Å; F156-Y186 VanDerWaalsContact CD2-CZ 3.43Å; F156-Y186 AromaticContact CE1-CD1 3.9Å; F156-Y186 HydrophobicContact CE1-CD1 3.9Å; F156-Y186 AromaticContact CE1-CD2 3.87Å; F156-Y186 HydrophobicContact CE1-CD2 3.87Å; F156-Y186 AromaticContact CE1-CG 3.39Å; F156-Y186 HydrophobicContact CE1-CG 3.39Å; F156-Y186 AromaticContact CE2-CD1 2.96Å; F156-Y186 HydrophobicContact CE2-CD1 2.96Å; F156-Y186 AromaticContact CE2-CD2 3.72Å; F156-Y186 HydrophobicContact CE2-CD2 3.72Å; F156-Y186 AromaticContact CE2-CE1 2.95Å; F156-Y186 HydrophobicContact CE2-CE1 2.95Å; F156-Y186 AromaticContact CE2-CE2 3.83Å; F156-Y186 HydrophobicContact CE2-CE2 3.83Å; F156-Y186 AromaticContact CE2-CG 3.26Å; F156-Y186 HydrophobicContact CE2-CG 3.26Å; F156-Y186 AromaticContact CE2-CZ 3.43Å; F156-Y186 VanDerWaalsContact CE2-CZ 3.43Å; F156-Y186 HydrophobicContact CG-CD1 4.48Å; F156-Y186 AromaticContact CG-CD2 3.74Å; F156-Y186 HydrophobicContact CG-CD2 3.74Å; F156-Y186 HydrophobicContact CG-CE1 4.46Å; F156-Y186 AromaticContact CG-CE2 3.87Å; F156-Y186 HydrophobicContact CG-CE2 3.87Å; F156-Y186 HydrophobicContact CG-CG 4.03Å; F156-Y186 AromaticContact CZ-CD1 3.05Å; F156-Y186 HydrophobicContact CZ-CD1 3.05Å; F156-Y186 AromaticContact CZ-CD2 3.82Å; F156-Y186 HydrophobicContact CZ-CD2 3.82Å; F156-Y186 AromaticContact CZ-CE1 3.62Å; F156-Y186 HydrophobicContact CZ-CE1 3.62Å; F156-Y186 HydrophobicContact CZ-CE2 4.39Å; F156-Y186 AromaticContact CZ-CG 3.06Å; F156-Y186 HydrophobicContact CZ-CG 3.06Å; P179-Y186 WeakPolarHBondContact O-CD2 3.36Å; Y186-H188 VanDerWaalsContact CD1-N 3.33Å; Y186-H188 VanDerWaalsContact CE1-CA 3.45Å; Y186-H188 HydrophobicContact CE1-CB 3.95Å; Y186-H188 VanDerWaalsContact CE1-N 3.32Å; Y186-H188 WeakPolarHBondContact CE1-O 3.38Å; Y186-H188 HydrophobicContact CE2-CB 4.29Å; Y186-H188 VanDerWaalsContact CZ-C 3.5Å; Y186-H188 PolarHBondContact O-N 2.97Å; Y186-H188 WeakPolarHBondContact OH-CB 3.23Å; Y186-H188 PolarHBondContact OH-O 3.23Å; Y186-P189 HydrophobicContact CD1-CB 4.37Å |
| 187 | H | 62.4 | Low | 68.7 | Low | 104 Ų | 104 | 71.7 Ų | 71.7 | 48% | 0.481 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -74.1 | -23.3 | -170.7 | -69.1 | -50.4 | 0 | 0 | 0 | 115.4 | S178 P179 G181 P189 | S178-H187 PolarHBondContact O-CD2 2.81Å; P179-H187 PolarHBondContact O-N 3.47Å; G181-H187 VanDerWaalsContact CA-CE1 3.46Å; G181-H187 WeakPolarHBondContact CA-CE1 3.5Å; G181-H187 PolarHBondContact N-CE1 3.06Å; G181-H187 PolarHBondContact N-NE2 2.91Å; H187-P189 VanDerWaalsContact C-CD 3.49Å |
| 188 | H | 63.3 | Low | 69.2 | Low | 107 Ų | 107 | 67.1 Ų | 67.1 | 50% | 0.495 | 38% | 0.38 | S | S | . | . | trans | -129 | 53 | -172.2 | -58.6 | -71.7 | 0 | 0 | 0 | 115.2 | Y186 L190 Y191 | Y186-H188 VanDerWaalsContact CD1-N 3.33Å; Y186-H188 VanDerWaalsContact CE1-CA 3.45Å; Y186-H188 HydrophobicContact CE1-CB 3.95Å; Y186-H188 VanDerWaalsContact CE1-N 3.32Å; Y186-H188 WeakPolarHBondContact CE1-O 3.38Å; Y186-H188 HydrophobicContact CE2-CB 4.29Å; Y186-H188 VanDerWaalsContact CZ-C 3.5Å; Y186-H188 PolarHBondContact O-N 2.97Å; Y186-H188 WeakPolarHBondContact OH-CB 3.23Å; Y186-H188 PolarHBondContact OH-O 3.23Å; H188-L190 PolarHBondContact O-N 3.06Å; H188-Y191 PolarHBondContact O-N 3.37Å | ||
| 189 | P | 63.8 | Low | 70.2 | Confident | 79 Ų | 79 | 63.5 Ų | 63.5 | 51% | 0.513 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -21.7 | -172.6 | 23.7 | -35.1 | 0 | 0 | 0 | 114 | Y186 H187 Y191 F192 | Y186-P189 HydrophobicContact CD1-CB 4.37Å; H187-P189 VanDerWaalsContact C-CD 3.49Å; P189-Y191 PolarHBondContact O-N 3.31Å; P189-Y191 VanDerWaalsContact O-N 3.12Å; P189-F192 PolarHBondContact O-N 3.38Å; P189-F192 VanDerWaalsContact O-N 3.15Å |
| 190 | L | 62.4 | Low | 71.1 | Confident | 131 Ų | 131 | 66.7 Ų | 66.7 | 69% | 0.686 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -56.8 | -22 | 174.7 | -62.7 | 178.9 | 0 | 0 | 0 | 113.7 | H188 F192 A193 C194 | H188-L190 PolarHBondContact O-N 3.06Å; L190-F192 VanDerWaalsContact C-N 3.29Å; L190-F192 PolarHBondContact O-N 3.29Å; L190-A193 CarbonylContact O-C 3.56Å; L190-A193 WeakPolarHBondContact O-CA 3.32Å; L190-A193 WeakPolarHBondContact O-CB 3.44Å; L190-A193 PolarHBondContact O-N 2.97Å; L190-C194 PolarHBondContact O-N 3.21Å; L190-C194 PolarHBondContact O-SG 2.81Å; L190-C194 VanDerWaalsContact O-SG 3.38Å |
| 191 | Y | 67.9 | Low | 72.1 | Confident | 4 Ų | 4 | 66.9 Ų | 66.9 | 2% | 0.016 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -54.3 | -44.7 | 172.5 | -173.7 | -110.6 | 0 | 0 | 0 | 113.5 | T13 M18 P152 H153 H154 H188 P189 A193 C194 N195 M229 | T13-Y191 PolarHBondContact O-OH 2.85Å; M18-Y191 HydrophobicContact CE-CD1 4.05Å; M18-Y191 HydrophobicContact CE-CE1 3.6Å; M18-Y191 HydrophobicContact CG-CE1 3.68Å; M18-Y191 HydrophobicContact SD-CD1 4.48Å; M18-Y191 HydrophobicContact SD-CE1 3.8Å; P152-Y191 HydrophobicContact CB-CD2 3.94Å; P152-Y191 HydrophobicContact CB-CE2 3.54Å; P152-Y191 HydrophobicContact CG-CE2 3.95Å; P152-Y191 WeakPolarHBondContact O-CE2 3.37Å; H153-Y191 VanDerWaalsContact C-CE2 3.47Å; H154-Y191 VanDerWaalsContact C-CD2 3.44Å; H154-Y191 VanDerWaalsContact N-CD2 3.35Å; H154-Y191 VanDerWaalsContact N-CE2 3.3Å; H154-Y191 WeakPolarHBondContact O-CB 3.46Å; H154-Y191 WeakPolarHBondContact O-CD2 3.27Å; H188-Y191 PolarHBondContact O-N 3.37Å; P189-Y191 PolarHBondContact O-N 3.31Å; P189-Y191 VanDerWaalsContact O-N 3.12Å; Y191-A193 VanDerWaalsContact C-N 3.26Å; Y191-A193 PolarHBondContact O-N 2.71Å; Y191-C194 WeakPolarHBondContact O-CB 3.36Å; Y191-C194 PolarHBondContact O-N 2.81Å; Y191-N195 WeakPolarHBondContact O-CB 3.35Å; Y191-N195 PolarHBondContact O-N 3.27Å; Y191-M229 HydrophobicContact CD1-CE 4.29Å; Y191-M229 HydrophobicContact CE1-CE 3.88Å; Y191-M229 HydrophobicContact CE1-SD 4.03Å |
| 192 | F | 71 | Confident | 73.4 | Confident | 84 Ų | 84 | 66.2 Ų | 66.2 | 37% | 0.368 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.6 | -35.2 | 177.5 | -65.6 | -60.6 | 0 | 0 | 0 | 111.2 | M18 F156 P189 L190 N195 D196 | M18-F192 HydrophobicContact CE-CD1 3.57Å; M18-F192 HydrophobicContact CE-CE1 3.62Å; M18-F192 HydrophobicContact SD-CE1 4Å; F156-F192 HydrophobicContact CD2-CE1 4.48Å; F156-F192 AromaticContact CD2-CE2 3.75Å; F156-F192 HydrophobicContact CD2-CE2 3.75Å; F156-F192 AromaticContact CD2-CZ 3.54Å; F156-F192 HydrophobicContact CD2-CZ 3.54Å; F156-F192 AromaticContact CE2-CD2 3.9Å; F156-F192 HydrophobicContact CE2-CD2 3.9Å; F156-F192 HydrophobicContact CE2-CE1 4.4Å; F156-F192 AromaticContact CE2-CE2 2.95Å; F156-F192 HydrophobicContact CE2-CE2 2.95Å; F156-F192 AromaticContact CE2-CZ 3.24Å; F156-F192 HydrophobicContact CE2-CZ 3.24Å; F156-F192 HydrophobicContact CG-CZ 4.48Å; F156-F192 AromaticContact CZ-CE2 3.47Å; F156-F192 HydrophobicContact CZ-CE2 3.47Å; F156-F192 VanDerWaalsContact CZ-CE2 3.47Å; F156-F192 AromaticContact CZ-CZ 3.91Å; F156-F192 HydrophobicContact CZ-CZ 3.91Å; P189-F192 PolarHBondContact O-N 3.38Å; P189-F192 VanDerWaalsContact O-N 3.15Å; L190-F192 VanDerWaalsContact C-N 3.29Å; L190-F192 PolarHBondContact O-N 3.29Å; F192-N195 PolarHBondContact O-N 2.81Å; F192-D196 WeakPolarHBondContact O-CB 3.28Å; F192-D196 PolarHBondContact O-N 2.9Å |
| 193 | A | 66.6 | Low | 74.3 | Confident | 55 Ų | 55 | 57.5 Ų | 57.5 | 46% | 0.455 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.8 | -38.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L190 Y191 N195 D196 F197 | L190-A193 CarbonylContact O-C 3.56Å; L190-A193 WeakPolarHBondContact O-CA 3.32Å; L190-A193 WeakPolarHBondContact O-CB 3.44Å; L190-A193 PolarHBondContact O-N 2.97Å; Y191-A193 VanDerWaalsContact C-N 3.26Å; Y191-A193 PolarHBondContact O-N 2.71Å; A193-N195 VanDerWaalsContact C-N 3.35Å; A193-D196 PolarHBondContact O-N 3.42Å; A193-F197 VanDerWaalsContact O-CB 3.27Å; A193-F197 WeakPolarHBondContact O-CB 3.49Å; A193-F197 PolarHBondContact O-N 2.65Å |
| 194 | C | 71.2 | Confident | 74.9 | Confident | 45 Ų | 45 | 57.6 Ų | 57.6 | 30% | 0.304 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65 | -39.4 | 172.2 | -66.2 | 0 | 0 | 0 | 0 | 111.6 | E151 P152 L190 Y191 F197 V198 | E151-C194 HydrophobicContact CB-CB 4.28Å; E151-C194 HydrophobicContact CG-CB 4.28Å; P152-C194 HydrophobicContact CB-CB 4Å; L190-C194 PolarHBondContact O-N 3.21Å; L190-C194 PolarHBondContact O-SG 2.81Å; L190-C194 VanDerWaalsContact O-SG 3.38Å; Y191-C194 WeakPolarHBondContact O-CB 3.36Å; Y191-C194 PolarHBondContact O-N 2.81Å; C194-F197 PolarHBondContact O-N 2.73Å; C194-V198 WeakPolarHBondContact O-CB 3.38Å; C194-V198 WeakPolarHBondContact O-CG1 3.3Å; C194-V198 PolarHBondContact O-N 3.37Å |
| 195 | N | 79.6 | Confident | 75.9 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65 | -39.6 | 177.4 | -168.5 | 89.3 | 0 | 0 | 0 | 112 | Q14 M18 T29 P152 Y191 F192 A193 V198 D199 | Q14-N195 PolarHBondContact NE2-OD1 3.47Å; M18-N195 HydrophobicContact CE-CB 4.3Å; M18-N195 PolarHBondContact O-ND2 2.97Å; M18-N195 PolarHBondContact O-OD1 3.32Å; T29-N195 WeakPolarHBondContact CG2-ND2 3.41Å; P152-N195 HydrophobicContact CB-CB 4.11Å; P152-N195 HydrophobicContact CG-CB 4.27Å; Y191-N195 WeakPolarHBondContact O-CB 3.35Å; Y191-N195 PolarHBondContact O-N 3.27Å; F192-N195 PolarHBondContact O-N 2.81Å; A193-N195 VanDerWaalsContact C-N 3.35Å; N195-V198 WeakPolarHBondContact O-CG1 3.36Å; N195-D199 PolarHBondContact O-N 3.42Å |
| 196 | D | 76.5 | Confident | 77.3 | Confident | 50 Ų | 50 | 50.4 Ų | 50.4 | 27% | 0.267 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.3 | -52.5 | 173.2 | -167.4 | 3.8 | 0 | 0 | 0 | 111 | N28 F192 A193 V198 D199 D200 | N28-D196 HydrophobicContact CB-CB 3.83Å; N28-D196 VanDerWaalsContact CB-CG 3.45Å; N28-D196 VanDerWaalsContact CB-OD1 3.3Å; N28-D196 WeakPolarHBondContact CB-OD1 3.42Å; N28-D196 VanDerWaalsContact ND2-CG 3.34Å; N28-D196 PolarHBondContact ND2-OD2 3.4Å; F192-D196 WeakPolarHBondContact O-CB 3.28Å; F192-D196 PolarHBondContact O-N 2.9Å; A193-D196 PolarHBondContact O-N 3.42Å; D196-V198 PolarHBondContact O-N 2.89Å; D196-D199 PolarHBondContact O-N 3.33Å; D196-D200 PolarHBondContact O-N 2.88Å |
| 197 | F | 76.7 | Confident | 78.5 | Confident | 109 Ų | 109 | 54.5 Ų | 54.5 | 48% | 0.478 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58 | -44.1 | -179.9 | 174.5 | -101.3 | 0 | 0 | 0 | 113.1 | A193 C194 D199 D200 Q201 | A193-F197 VanDerWaalsContact O-CB 3.27Å; A193-F197 WeakPolarHBondContact O-CB 3.49Å; A193-F197 PolarHBondContact O-N 2.65Å; C194-F197 PolarHBondContact O-N 2.73Å; F197-D199 VanDerWaalsContact C-N 3.34Å; F197-D200 PolarHBondContact O-N 2.66Å; F197-Q201 HydrophobicContact CD1-CG 4.4Å; F197-Q201 HydrophobicContact CE1-CG 3.9Å; F197-Q201 HydrophobicContact CE2-CG 4.27Å; F197-Q201 HydrophobicContact CZ-CG 3.83Å; F197-Q201 WeakPolarHBondContact O-CG 3.32Å; F197-Q201 PolarHBondContact O-N 3.29Å; F197-Q201 VanDerWaalsContact O-N 3.12Å |
| 198 | V | 82.8 | Confident | 79.8 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.4 | -35.3 | -179.2 | 75.2 | 0 | 0 | 0 | 0 | 111.5 | T11 Y149 E151 C194 N195 D196 D200 Q201 I202 | T11-V198 HydrophobicContact CG2-CG1 4.25Å; T11-V198 HydrophobicContact CG2-CG2 3.81Å; Y149-V198 HydrophobicContact CD1-CG2 3.95Å; Y149-V198 HydrophobicContact CD2-CG2 3.88Å; Y149-V198 HydrophobicContact CG-CG2 3.54Å; E151-V198 HydrophobicContact CB-CB 3.98Å; E151-V198 HydrophobicContact CB-CG2 4.19Å; C194-V198 WeakPolarHBondContact O-CB 3.38Å; C194-V198 WeakPolarHBondContact O-CG1 3.3Å; C194-V198 PolarHBondContact O-N 3.37Å; N195-V198 WeakPolarHBondContact O-CG1 3.36Å; D196-V198 PolarHBondContact O-N 2.89Å; V198-D200 VanDerWaalsContact C-N 3.35Å; V198-D200 PolarHBondContact O-N 3.37Å; V198-Q201 PolarHBondContact O-N 2.96Å; V198-I202 HydrophobicContact CG2-CD1 4.37Å; V198-I202 VanDerWaalsContact O-CG1 3.24Å; V198-I202 WeakPolarHBondContact O-CG1 3.21Å; V198-I202 PolarHBondContact O-N 3.25Å |
| 199 | D | 89.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 174.8 | -174.2 | 79.8 | 0 | 0 | 0 | 111.6 | T29 Q30 N31 I32 N195 D196 F197 Q201 I202 G203 | T29-D199 VanDerWaalsContact C-CG 3.4Å; T29-D199 VanDerWaalsContact C-OD2 3.31Å; T29-D199 VanDerWaalsContact CA-OD1 3.28Å; T29-D199 WeakPolarHBondContact CA-OD1 3.45Å; Q30-D199 PolarHBondContact N-OD2 3.29Å; N31-D199 WeakPolarHBondContact CB-O 3.48Å; N31-D199 WeakPolarHBondContact CB-OD2 3.32Å; N31-D199 PolarHBondContact N-OD1 2.72Å; N31-D199 PolarHBondContact N-OD2 3.41Å; N31-D199 PolarHBondContact ND2-O 2.83Å; N31-D199 PolarHBondContact ND2-OD2 2.86Å; I32-D199 WeakPolarHBondContact CB-OD1 3.24Å; I32-D199 HydrophobicContact CD1-CB 4.46Å; I32-D199 WeakPolarHBondContact CD1-OD1 3.31Å; I32-D199 WeakPolarHBondContact CG1-OD1 3.42Å; I32-D199 PolarHBondContact N-OD1 2.84Å; N195-D199 PolarHBondContact O-N 3.42Å; D196-D199 PolarHBondContact O-N 3.33Å; F197-D199 VanDerWaalsContact C-N 3.34Å; D199-Q201 VanDerWaalsContact C-N 3.34Å; D199-Q201 PolarHBondContact O-N 2.77Å; D199-I202 WeakPolarHBondContact O-CB 3.35Å; D199-I202 PolarHBondContact O-N 3.2Å; D199-G203 PolarHBondContact O-N 2.75Å |
| 200 | D | 84 | Confident | 82.4 | Confident | 88 Ų | 88 | 45.9 Ų | 45.9 | 47% | 0.471 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.5 | -41.1 | 173.5 | -87.1 | -12.8 | 0 | 0 | 0 | 112.4 | D196 F197 V198 G203 R204 | D196-D200 PolarHBondContact O-N 2.88Å; F197-D200 PolarHBondContact O-N 2.66Å; V198-D200 VanDerWaalsContact C-N 3.35Å; V198-D200 PolarHBondContact O-N 3.37Å; D200-G203 PolarHBondContact O-N 2.99Å; D200-R204 WeakPolarHBondContact O-CB 3.35Å; D200-R204 PolarHBondContact O-N 2.85Å |
| 201 | Q | 86.1 | Confident | 83.7 | Confident | 35 Ų | 35 | 44.3 Ų | 44.3 | 16% | 0.164 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.2 | -37.6 | 176.3 | -62.5 | -43.1 | -60.2 | 0 | 0 | 112.2 | Y149 F197 V198 D199 G203 R204 V205 | Y149-Q201 HydrophobicContact CE1-CB 3.66Å; Y149-Q201 HydrophobicContact CE1-CG 4.43Å; Y149-Q201 PolarHBondContact OH-O 3.31Å; F197-Q201 HydrophobicContact CD1-CG 4.4Å; F197-Q201 HydrophobicContact CE1-CG 3.9Å; F197-Q201 HydrophobicContact CE2-CG 4.27Å; F197-Q201 HydrophobicContact CZ-CG 3.83Å; F197-Q201 WeakPolarHBondContact O-CG 3.32Å; F197-Q201 PolarHBondContact O-N 3.29Å; F197-Q201 VanDerWaalsContact O-N 3.12Å; V198-Q201 PolarHBondContact O-N 2.96Å; D199-Q201 VanDerWaalsContact C-N 3.34Å; D199-Q201 PolarHBondContact O-N 2.77Å; Q201-G203 VanDerWaalsContact C-N 3.35Å; Q201-R204 WeakPolarHBondContact O-CB 3.4Å; Q201-R204 PolarHBondContact O-N 3.04Å; Q201-R204 VanDerWaalsContact OE1-NH1 3.16Å; Q201-V205 WeakPolarHBondContact O-CG2 3.43Å; Q201-V205 PolarHBondContact O-N 3.22Å |
| 202 | I | 91.3 | Very high | 84.7 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.4 | -47.9 | 173.1 | -68.8 | 167.4 | 0 | 0 | 0 | 109.7 | V9 T11 I32 Y149 V198 D199 R204 V205 I206 Y221 | V9-I202 HydrophobicContact CG1-CD1 4.38Å; V9-I202 HydrophobicContact CG1-CG1 3.84Å; V9-I202 HydrophobicContact CG1-CG2 4.31Å; T11-I202 HydrophobicContact CG2-CD1 4.02Å; I32-I202 HydrophobicContact CD1-CD1 3.87Å; I32-I202 HydrophobicContact CG1-CD1 3.97Å; I32-I202 HydrophobicContact CG1-CG2 4.5Å; Y149-I202 HydrophobicContact CD2-CG1 4.18Å; Y149-I202 HydrophobicContact CE2-CG1 3.67Å; V198-I202 HydrophobicContact CG2-CD1 4.37Å; V198-I202 VanDerWaalsContact O-CG1 3.24Å; V198-I202 WeakPolarHBondContact O-CG1 3.21Å; V198-I202 PolarHBondContact O-N 3.25Å; D199-I202 WeakPolarHBondContact O-CB 3.35Å; D199-I202 PolarHBondContact O-N 3.2Å; I202-R204 VanDerWaalsContact C-N 3.31Å; I202-R204 PolarHBondContact O-N 3.34Å; I202-V205 PolarHBondContact O-N 2.83Å; I202-I206 HydrophobicContact CG2-CD1 3.68Å; I202-I206 HydrophobicContact CG2-CG1 4.43Å; I202-I206 WeakPolarHBondContact O-CG1 3.38Å; I202-I206 PolarHBondContact O-N 2.94Å; I202-Y221 HydrophobicContact CD1-CD2 4.24Å; I202-Y221 HydrophobicContact CD1-CE2 3.8Å |
| 203 | G | 92.3 | Very high | 85.6 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -55.2 | -46.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | N31 D199 D200 Q201 V205 I206 N207 | N31-G203 VanDerWaalsContact CG-CA 3.43Å; N31-G203 VanDerWaalsContact OD1-CA 3.26Å; N31-G203 WeakPolarHBondContact OD1-CA 3.43Å; D199-G203 PolarHBondContact O-N 2.75Å; D200-G203 PolarHBondContact O-N 2.99Å; Q201-G203 VanDerWaalsContact C-N 3.35Å; G203-V205 PolarHBondContact O-N 3.43Å; G203-I206 PolarHBondContact O-N 3.04Å; G203-N207 WeakPolarHBondContact O-CB 3.36Å; G203-N207 PolarHBondContact O-N 3.15Å; G203-N207 PolarHBondContact O-ND2 3.16Å |
| 204 | R | 88.4 | Confident | 86.8 | Confident | 113 Ų | 113 | 48.6 Ų | 48.6 | 43% | 0.426 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59 | -45.3 | 177.2 | -179.1 | -177.1 | 174.4 | -170.9 | 6.5 | 113 | D200 Q201 I202 N207 A208 | D200-R204 WeakPolarHBondContact O-CB 3.35Å; D200-R204 PolarHBondContact O-N 2.85Å; Q201-R204 WeakPolarHBondContact O-CB 3.4Å; Q201-R204 PolarHBondContact O-N 3.04Å; Q201-R204 VanDerWaalsContact OE1-NH1 3.16Å; I202-R204 VanDerWaalsContact C-N 3.31Å; I202-R204 PolarHBondContact O-N 3.34Å; R204-N207 PolarHBondContact O-N 3.12Å; R204-A208 WeakPolarHBondContact O-CB 3.5Å; R204-A208 PolarHBondContact O-N 2.99Å; R204-A208 VanDerWaalsContact O-N 3.11Å |
| 205 | V | 89.2 | Confident | 87.8 | Confident | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.024 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.9 | -45.2 | 178.6 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | L7 V147 Y149 Q201 I202 G203 N207 A208 | L7-V205 HydrophobicContact CD1-CG1 3.95Å; L7-V205 HydrophobicContact CD2-CG1 4.05Å; V147-V205 HydrophobicContact CG2-CG1 4.15Å; Y149-V205 VanDerWaalsContact OH-CG2 3.28Å; Y149-V205 WeakPolarHBondContact OH-CG2 3.31Å; Q201-V205 WeakPolarHBondContact O-CG2 3.43Å; Q201-V205 PolarHBondContact O-N 3.22Å; I202-V205 PolarHBondContact O-N 2.83Å; G203-V205 PolarHBondContact O-N 3.43Å; V205-N207 VanDerWaalsContact C-N 3.33Å; V205-N207 PolarHBondContact O-N 2.84Å; V205-A208 WeakPolarHBondContact O-CB 3.19Å; V205-A208 PolarHBondContact O-N 3.45Å |
| 206 | I | 92.5 | Very high | 88.5 | Confident | 23 Ų | 23 | 54.3 Ų | 54.3 | 12% | 0.118 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.4 | -38.5 | 178.9 | -66.1 | 171.8 | 0 | 0 | 0 | 111.1 | L7 L35 I202 G203 A208 L209 R214 V219 | L7-I206 HydrophobicContact CD2-CG1 4.23Å; L35-I206 HydrophobicContact CD1-CD1 4.39Å; L35-I206 HydrophobicContact CD2-CD1 4.16Å; I202-I206 HydrophobicContact CG2-CD1 3.68Å; I202-I206 HydrophobicContact CG2-CG1 4.43Å; I202-I206 WeakPolarHBondContact O-CG1 3.38Å; I202-I206 PolarHBondContact O-N 2.94Å; G203-I206 PolarHBondContact O-N 3.04Å; I206-A208 VanDerWaalsContact C-N 3.28Å; I206-A208 PolarHBondContact O-N 2.9Å; I206-L209 PolarHBondContact O-N 2.86Å; I206-R214 PolarHBondContact O-NH2 3.35Å; I206-V219 HydrophobicContact CD1-CG1 4.08Å; I206-V219 HydrophobicContact CG1-CG1 4.12Å |
| 207 | N | 91.8 | Very high | 89.4 | Confident | 108 Ų | 108 | 51.9 Ų | 51.9 | 58% | 0.578 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -72.2 | -21.1 | 179.7 | -72.8 | -29.7 | 0 | 0 | 0 | 113.3 | G203 R204 V205 L209 | G203-N207 WeakPolarHBondContact O-CB 3.36Å; G203-N207 PolarHBondContact O-N 3.15Å; G203-N207 PolarHBondContact O-ND2 3.16Å; R204-N207 PolarHBondContact O-N 3.12Å; V205-N207 VanDerWaalsContact C-N 3.33Å; V205-N207 PolarHBondContact O-N 2.84Å; N207-L209 VanDerWaalsContact C-N 3.26Å; N207-L209 PolarHBondContact O-N 2.74Å |
| 208 | A | 89.7 | Confident | 90.5 | Very high | 40 Ų | 40 | 48.3 Ų | 48.3 | 33% | 0.331 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -17.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | W135 R204 V205 I206 T210 | W135-A208 HydrophobicContact CD2-CB 3.85Å; W135-A208 HydrophobicContact CE3-CB 3.62Å; W135-A208 HydrophobicContact CH2-CB 3.57Å; W135-A208 WeakPolarHBondContact CH2-O 3.27Å; W135-A208 HydrophobicContact CZ2-CB 3.79Å; W135-A208 WeakPolarHBondContact CZ2-O 3.18Å; W135-A208 HydrophobicContact CZ3-CB 3.47Å; W135-A208 VanDerWaalsContact CZ3-CB 3.47Å; R204-A208 WeakPolarHBondContact O-CB 3.5Å; R204-A208 PolarHBondContact O-N 2.99Å; R204-A208 VanDerWaalsContact O-N 3.11Å; V205-A208 WeakPolarHBondContact O-CB 3.19Å; V205-A208 PolarHBondContact O-N 3.45Å; I206-A208 VanDerWaalsContact C-N 3.28Å; I206-A208 PolarHBondContact O-N 2.9Å; A208-T210 PolarHBondContact O-N 2.83Å |
| 209 | L | 90 | Very high | 91.2 | Very high | 6 Ų | 6 | 48.4 Ų | 48.4 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -58.9 | 127.6 | 172.2 | -67.7 | 171.3 | 0 | 0 | 0 | 110.6 | L7 W135 F143 I206 N207 Q213 R214 T217 V219 | L7-L209 HydrophobicContact CD2-CD1 4.13Å; W135-L209 HydrophobicContact CH2-CD2 4.19Å; F143-L209 HydrophobicContact CZ-CD2 4.38Å; I206-L209 PolarHBondContact O-N 2.86Å; N207-L209 VanDerWaalsContact C-N 3.26Å; N207-L209 PolarHBondContact O-N 2.74Å; L209-Q213 HydrophobicContact CB-CB 4.41Å; L209-Q213 HydrophobicContact CD2-CB 4.09Å; L209-R214 HydrophobicContact CB-CB 4.5Å; L209-R214 PolarHBondContact O-NH2 3.35Å; L209-T217 HydrophobicContact CD1-CG2 4.17Å; L209-T217 HydrophobicContact CD2-CG2 4.33Å; L209-V219 HydrophobicContact CD1-CG2 4.15Å |
| 210 | T | 90 | Very high | 91.6 | Very high | 63 Ų | 63 | 48.4 Ų | 48.4 | 39% | 0.387 | 25% | 0.245 | S | C | . | . | trans | -64.1 | 159.8 | 172.6 | 72 | 0 | 0 | 0 | 0 | 110.5 | A208 E212 Q213 R214 | A208-T210 PolarHBondContact O-N 2.83Å; T210-E212 VanDerWaalsContact C-N 3.27Å; T210-E212 PolarHBondContact O-N 2.66Å; T210-Q213 VanDerWaalsContact N-OE1 3.1Å; T210-Q213 PolarHBondContact O-N 3.43Å; T210-Q213 VanDerWaalsContact O-N 3.13Å; T210-Q213 WeakPolarHBondContact OG1-CB 3.41Å; T210-Q213 VanDerWaalsContact OG1-CG 3.31Å; T210-Q213 WeakPolarHBondContact OG1-CG 3.41Å; T210-Q213 PolarHBondContact OG1-N 2.86Å; T210-Q213 PolarHBondContact OG1-OE1 3.29Å; T210-R214 WeakPolarHBondContact O-CB 3.29Å; T210-R214 PolarHBondContact O-N 3Å | ||
| 211 | P | 89.7 | Confident | 92.3 | Very high | 98 Ų | 98 | 44.2 Ų | 44.2 | 64% | 0.636 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -52.6 | -44.3 | 175.5 | -28.5 | 36.3 | 0 | 0 | 0 | 113.2 | R214 E215 | P211-R214 PolarHBondContact O-N 3.1Å; P211-E215 PolarHBondContact O-N 3.1Å |
| 212 | E | 88.8 | Confident | 92.9 | Very high | 127 Ų | 127 | 42.6 Ų | 42.6 | 59% | 0.593 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -63.9 | -42.6 | 177.4 | -172.8 | -177.6 | 169.4 | 0 | 0 | 112.1 | K2 T210 E215 | K2-E212 IonicContact NZ-OE1 3.28Å; T210-E212 VanDerWaalsContact C-N 3.27Å; T210-E212 PolarHBondContact O-N 2.66Å; E212-E215 PolarHBondContact O-N 3.27Å |
| 213 | Q | 91.5 | Very high | 93.1 | Very high | 31 Ų | 31 | 42.6 Ų | 42.6 | 15% | 0.145 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.1 | -41.2 | 177 | -74 | 173.1 | -30 | 0 | 0 | 111.4 | L209 T210 E215 N216 T217 | L209-Q213 HydrophobicContact CB-CB 4.41Å; L209-Q213 HydrophobicContact CD2-CB 4.09Å; T210-Q213 VanDerWaalsContact N-OE1 3.1Å; T210-Q213 PolarHBondContact O-N 3.43Å; T210-Q213 VanDerWaalsContact O-N 3.13Å; T210-Q213 WeakPolarHBondContact OG1-CB 3.41Å; T210-Q213 VanDerWaalsContact OG1-CG 3.31Å; T210-Q213 WeakPolarHBondContact OG1-CG 3.41Å; T210-Q213 PolarHBondContact OG1-N 2.86Å; T210-Q213 PolarHBondContact OG1-OE1 3.29Å; Q213-E215 PolarHBondContact O-N 3.35Å; Q213-N216 CarbonylContact O-C 2.83Å; Q213-N216 PolarHBondContact O-N 3.02Å; Q213-T217 WeakPolarHBondContact O-CB 3.45Å; Q213-T217 PolarHBondContact O-N 3.12Å; Q213-T217 PolarHBondContact O-OG1 2.89Å |
| 214 | R | 90.6 | Very high | 93.2 | Very high | 75 Ų | 75 | 42.5 Ų | 42.5 | 28% | 0.283 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.5 | -31 | 179.9 | -173.2 | 175.6 | -73.5 | 110.2 | 5.2 | 112.3 | I206 L209 T210 P211 N216 | I206-R214 PolarHBondContact O-NH2 3.35Å; L209-R214 HydrophobicContact CB-CB 4.5Å; L209-R214 PolarHBondContact O-NH2 3.35Å; T210-R214 WeakPolarHBondContact O-CB 3.29Å; T210-R214 PolarHBondContact O-N 3Å; P211-R214 PolarHBondContact O-N 3.1Å; R214-N216 VanDerWaalsContact C-N 3.32Å |
| 215 | E | 92.4 | Very high | 93.4 | Very high | 145 Ų | 145 | 37.1 Ų | 37.1 | 68% | 0.678 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -9.9 | 176.2 | -69.2 | 179 | -178.3 | 0 | 0 | 114.2 | P211 E212 Q213 P255 | P211-E215 PolarHBondContact O-N 3.1Å; E212-E215 PolarHBondContact O-N 3.27Å; Q213-E215 PolarHBondContact O-N 3.35Å; E215-P255 VanDerWaalsContact C-CB 3.46Å; E215-P255 WeakPolarHBondContact O-CB 3.46Å |
| 216 | N | 94.9 | Very high | 93.5 | Very high | 23 Ų | 23 | 36.9 Ų | 36.9 | 12% | 0.123 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.3 | 4.3 | 177.4 | -167.1 | 45.1 | 0 | 0 | 0 | 114.2 | K2 R3 N5 E141 Q213 R214 | K2-N216 WeakPolarHBondContact CD-ND2 3.28Å; R3-N216 PolarHBondContact O-ND2 3.46Å; N5-N216 PolarHBondContact N-O 3.17Å; N5-N216 PolarHBondContact ND2-ND2 3.35Å; E141-N216 PolarHBondContact OE2-ND2 2.68Å; Q213-N216 CarbonylContact O-C 2.83Å; Q213-N216 PolarHBondContact O-N 3.02Å; R214-N216 VanDerWaalsContact C-N 3.32Å |
| 217 | T | 96 | Very high | 93.2 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 125.6 | -173.7 | -55.9 | 0 | 0 | 0 | 0 | 112 | N5 L7 F143 L209 Q213 V219 | N5-T217 HydrophobicContact CB-CG2 4.18Å; N5-T217 WeakPolarHBondContact CB-OG1 3.39Å; N5-T217 WeakPolarHBondContact O-CA 3.34Å; L7-T217 HydrophobicContact CB-CG2 3.87Å; F143-T217 HydrophobicContact CZ-CG2 4.42Å; L209-T217 HydrophobicContact CD1-CG2 4.17Å; L209-T217 HydrophobicContact CD2-CG2 4.33Å; Q213-T217 WeakPolarHBondContact O-CB 3.45Å; Q213-T217 PolarHBondContact O-N 3.12Å; Q213-T217 PolarHBondContact O-OG1 2.89Å; T217-V219 HydrophobicContact CG2-CG2 4.35Å |
| 218 | W | 98 | Very high | 92.8 | Very high | 34 Ų | 34 | 30.7 Ų | 30.7 | 13% | 0.129 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 125.4 | 163.4 | -71.7 | 79 | 0 | 0 | 0 | 109.1 | N5 F6 L7 I252 R253 S254 L278 L293 | N5-W218 PolarHBondContact O-N 2.71Å; F6-W218 WeakPolarHBondContact CA-O 3.43Å; F6-W218 HydrophobicContact CD1-CB 3.86Å; F6-W218 HydrophobicContact CD1-CG 4.47Å; F6-W218 HydrophobicContact CE1-CB 4.08Å; F6-W218 HydrophobicContact CE1-CG 4.21Å; L7-W218 PolarHBondContact N-O 3.38Å; W218-I252 HydrophobicContact CE3-CG2 3.62Å; W218-I252 HydrophobicContact CZ3-CG2 3.83Å; W218-R253 WeakPolarHBondContact CA-O 3.31Å; W218-S254 VanDerWaalsContact CH2-CB 3.41Å; W218-S254 VanDerWaalsContact CZ3-CB 3.46Å; W218-L278 HydrophobicContact CD2-CD1 3.77Å; W218-L278 HydrophobicContact CE3-CD1 3.85Å; W218-L278 HydrophobicContact CG-CD1 4.31Å; W218-L278 HydrophobicContact CH2-CD1 4.27Å; W218-L278 HydrophobicContact CH2-CD2 3.8Å; W218-L278 HydrophobicContact CZ2-CD1 4.21Å; W218-L278 HydrophobicContact CZ2-CD2 3.51Å; W218-L278 HydrophobicContact CZ2-CG 4.45Å; W218-L278 HydrophobicContact CZ3-CD1 4.1Å; W218-L278 HydrophobicContact CZ3-CD2 4.44Å; W218-L293 HydrophobicContact CH2-CD1 4.1Å; W218-L293 HydrophobicContact CZ3-CD1 4.01Å |
| 219 | V | 97.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 121 | 175.4 | -174.7 | 0 | 0 | 0 | 0 | 108.2 | L7 L35 I206 L209 T217 R253 | L7-V219 HydrophobicContact CB-CG2 4.45Å; L7-V219 HydrophobicContact CD2-CG1 4.27Å; L7-V219 HydrophobicContact CD2-CG2 4.35Å; L7-V219 WeakPolarHBondContact O-CA 3.28Å; L35-V219 HydrophobicContact CD1-CB 4.13Å; L35-V219 HydrophobicContact CD1-CG1 3.93Å; L35-V219 HydrophobicContact CD2-CG1 4.11Å; I206-V219 HydrophobicContact CD1-CG1 4.08Å; I206-V219 HydrophobicContact CG1-CG1 4.12Å; L209-V219 HydrophobicContact CD1-CG2 4.15Å; T217-V219 HydrophobicContact CG2-CG2 4.35Å; V219-R253 HydrophobicContact CB-CB 4.32Å; V219-R253 PolarHBondContact N-O 2.85Å; V219-R253 PolarHBondContact O-N 3.01Å |
| 220 | I | 98.5 | Very high | 91.6 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 129.7 | -180 | -58.5 | 168 | 0 | 0 | 0 | 107.1 | F6 L7 F8 V9 L250 I251 I252 L271 M275 | F6-I220 HydrophobicContact CD1-CD1 4.35Å; L7-I220 PolarHBondContact O-N 2.84Å; F8-I220 HydrophobicContact CD2-CB 3.96Å; F8-I220 HydrophobicContact CD2-CD1 4.09Å; F8-I220 HydrophobicContact CD2-CG2 3.85Å; F8-I220 HydrophobicContact CE2-CB 4.28Å; F8-I220 HydrophobicContact CE2-CG2 3.64Å; F8-I220 HydrophobicContact CG-CB 4.47Å; F8-I220 HydrophobicContact CZ-CG2 4.18Å; V9-I220 PolarHBondContact N-O 3.16Å; I220-L250 HydrophobicContact CG2-CD1 4.26Å; I220-I251 CarbonylContact C-O 3.36Å; I220-I251 WeakPolarHBondContact CA-O 3.4Å; I220-I252 HydrophobicContact CG1-CG1 4.28Å; I220-I252 HydrophobicContact CG1-CG2 4.35Å; I220-I252 HydrophobicContact CG2-CG1 4.29Å; I220-L271 HydrophobicContact CG2-CD2 4.43Å; I220-M275 HydrophobicContact CD1-CE 4.35Å; I220-M275 HydrophobicContact CD1-CG 3.57Å; I220-M275 HydrophobicContact CD1-SD 3.74Å |
| 221 | Y | 98.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 134.4 | 175.7 | 164.9 | -100.7 | 0 | 0 | 0 | 110.9 | V9 T11 Q14 I32 L35 I202 P249 L250 I251 | V9-Y221 HydrophobicContact CB-CD2 4.49Å; V9-Y221 HydrophobicContact CG1-CD2 4.34Å; V9-Y221 VanDerWaalsContact O-CA 3.27Å; V9-Y221 WeakPolarHBondContact O-CA 3.24Å; T11-Y221 HydrophobicContact CG2-CE2 4.18Å; Q14-Y221 PolarHBondContact OE1-OH 2.91Å; I32-Y221 HydrophobicContact CB-CE1 4.43Å; I32-Y221 HydrophobicContact CD1-CE1 4.22Å; I32-Y221 HydrophobicContact CD1-CE2 4.05Å; I32-Y221 WeakPolarHBondContact CD1-OH 3.35Å; I32-Y221 HydrophobicContact CG1-CE1 4.11Å; I32-Y221 HydrophobicContact CG1-CE2 4.1Å; I32-Y221 HydrophobicContact CG2-CD1 3.85Å; I32-Y221 HydrophobicContact CG2-CE1 3.42Å; I32-Y221 VanDerWaalsContact CG2-CE1 3.42Å; L35-Y221 HydrophobicContact CD2-CG 4.46Å; I202-Y221 HydrophobicContact CD1-CD2 4.24Å; I202-Y221 HydrophobicContact CD1-CE2 3.8Å; Y221-P249 HydrophobicContact CE1-CB 3.81Å; Y221-P249 HydrophobicContact CE1-CG 4.1Å; Y221-L250 WeakPolarHBondContact O-CA 3.4Å; Y221-I251 HydrophobicContact CD1-CB 4.39Å; Y221-I251 HydrophobicContact CD1-CD1 3.86Å; Y221-I251 HydrophobicContact CD1-CG1 4.28Å; Y221-I251 HydrophobicContact CE1-CD1 4.37Å; Y221-I251 PolarHBondContact N-O 3.15Å; Y221-I251 PolarHBondContact O-N 3.43Å |
| 222 | T | 98.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 177.2 | 173.5 | -163.4 | 0 | 0 | 0 | 0 | 113.1 | F8 V9 M10 T11 L59 I248 P249 H268 | F8-T222 HydrophobicContact CE1-CG2 3.82Å; F8-T222 HydrophobicContact CZ-CG2 3.71Å; V9-T222 PolarHBondContact O-N 3.5Å; V9-T222 VanDerWaalsContact O-N 3.08Å; M10-T222 WeakPolarHBondContact CA-O 3.31Å; M10-T222 HydrophobicContact CB-CG2 4.18Å; M10-T222 WeakPolarHBondContact CB-O 3.45Å; T11-T222 PolarHBondContact N-O 2.63Å; L59-T222 HydrophobicContact CD2-CG2 4.43Å; T222-I248 WeakPolarHBondContact OG1-CD1 3.44Å; T222-P249 WeakPolarHBondContact CA-O 3.38Å; T222-P249 WeakPolarHBondContact CB-O 3.49Å; T222-P249 PolarHBondContact OG1-O 2.78Å; T222-H268 PolarHBondContact OG1-NE2 2.74Å |
| 223 | S | 96 | Very high | 90.8 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 153.9 | 164.7 | 179.9 | 0 | 0 | 0 | 0 | 108.7 | T11 T13 Q14 H225 H268 | T11-S223 WeakPolarHBondContact O-CA 3.38Å; T13-S223 PolarHBondContact N-OG 3.41Å; Q14-S223 PolarHBondContact N-OG 2.85Å; Q14-S223 WeakPolarHBondContact O-CB 3.49Å; Q14-S223 PolarHBondContact O-OG 3.2Å; S223-H225 PolarHBondContact OG-O 3.25Å; S223-H268 PolarHBondContact O-CE1 3.22Å; S223-H268 PolarHBondContact O-NE2 2.8Å; S223-H268 VanDerWaalsContact O-NE2 3.12Å |
| 224 | D | 93.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -62.5 | -50.2 | 175.8 | 62.8 | -10.6 | 0 | 0 | 0 | 112.5 | M10 T11 T13 T47 A55 R56 H268 | M10-D224 HydrophobicContact CE-CB 3.68Å; T11-D224 PolarHBondContact O-N 3.48Å; T13-D224 PolarHBondContact N-OD1 3.16Å; T47-D224 WeakPolarHBondContact CB-O 3.22Å; T47-D224 PolarHBondContact OG1-O 3.42Å; A55-D224 HydrophobicContact CB-CB 3.94Å; A55-D224 WeakPolarHBondContact CB-O 3.46Å; R56-D224 HydrophobicContact CG-CB 3.99Å; R56-D224 IonicContact CZ-OD2 3.13Å; R56-D224 IonicContact NE-OD2 3.68Å; R56-D224 PolarHBondContact NE-OD2 2.84Å; R56-D224 IonicContact NH2-OD2 3.95Å; D224-H268 PolarHBondContact O-CE1 3.05Å |
| 225 | H | 94.3 | Very high | 90 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 7% | 0.074 | C | C | . | . | trans | -153.3 | -173.8 | 169.7 | 61.8 | 70.3 | 0 | 0 | 0 | 109.9 | T13 Q14 T47 V51 C52 S223 | T13-H225 CarbonylContact C-O 3.5Å; T13-H225 VanDerWaalsContact CA-O 3.3Å; T13-H225 WeakPolarHBondContact CA-O 3.25Å; T13-H225 PolarHBondContact OG1-CE1 3.16Å; T13-H225 VanDerWaalsContact OG1-CE1 3.25Å; Q14-H225 PolarHBondContact N-O 2.99Å; T47-H225 HydrophobicContact CG2-CB 4.04Å; V51-H225 VanDerWaalsContact C-NE2 3.33Å; V51-H225 PolarHBondContact N-CD2 3.22Å; C52-H225 WeakPolarHBondContact CA-NE2 3.23Å; C52-H225 PolarHBondContact N-CD2 2.89Å; C52-H225 VanDerWaalsContact N-CD2 3.29Å; C52-H225 PolarHBondContact N-NE2 3.45Å; C52-H225 PolarHBondContact SG-NE2 3Å; S223-H225 PolarHBondContact OG-O 3.25Å | ||
| 226 | G | 91.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.046 | C | C | . | . | trans | -102 | -164.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | D244 I245 | G226-D244 CarbonylContact C-O 3.35Å; G226-D244 VanDerWaalsContact CA-O 3.31Å; G226-D244 WeakPolarHBondContact CA-O 3.18Å; G226-I245 PolarHBondContact N-O 2.79Å | ||
| 227 | E | 85.5 | Confident | 89.2 | Confident | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 4% | 0.044 | C | C | . | . | trans | -139.1 | 134.9 | -178.4 | 175 | 46.4 | -103.3 | 0 | 0 | 107.1 | T13 H154 M229 S236 D244 I245 | T13-E227 HydrophobicContact CG2-CB 3.67Å; T13-E227 HydrophobicContact CG2-CG 4.28Å; H154-E227 IonicContact CE1-OE2 3.45Å; H154-E227 IonicContact ND1-OE2 2.74Å; H154-E227 PolarHBondContact ND1-OE2 3.02Å; E227-M229 HydrophobicContact CB-CG 3.76Å; E227-M229 HydrophobicContact CG-CB 4.42Å; E227-M229 HydrophobicContact CG-CG 3.43Å; E227-M229 VanDerWaalsContact CG-CG 3.43Å; E227-M229 PolarHBondContact O-N 2.95Å; E227-M229 PolarHBondContact OE1-N 3.18Å; E227-S236 VanDerWaalsContact CD-CA 3.5Å; E227-S236 VanDerWaalsContact OE1-C 3.31Å; E227-S236 WeakPolarHBondContact OE1-CA 3.27Å; E227-S236 PolarHBondContact OE1-N 3.41Å; E227-S236 VanDerWaalsContact OE1-O 3.1Å; E227-S236 WeakPolarHBondContact OE2-CA 2.94Å; E227-D244 PolarHBondContact N-O 2.79Å; E227-I245 VanDerWaalsContact C-CG2 3.45Å | ||
| 228 | M | 84 | Confident | 88.8 | Confident | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.045 | C | C | . | . | trans | -58 | -36.5 | 179.7 | -77.7 | -63.6 | -176.9 | 0 | 0 | 110 | W172 G230 A231 L234 S236 A240 Y242 D244 I245 | W172-M228 HydrophobicContact CH2-CE 4.29Å; W172-M228 HydrophobicContact CH2-CG 4.19Å; W172-M228 HydrophobicContact CZ3-CE 4.18Å; M228-G230 PolarHBondContact O-N 2.88Å; M228-G230 VanDerWaalsContact O-N 3.12Å; M228-A231 WeakPolarHBondContact O-CA 3.04Å; M228-A231 WeakPolarHBondContact O-CB 3.04Å; M228-A231 PolarHBondContact O-N 3.47Å; M228-A231 HydrophobicContact SD-CB 4.26Å; M228-L234 HydrophobicContact CB-CB 4.12Å; M228-L234 VanDerWaalsContact CB-O 3.29Å; M228-L234 WeakPolarHBondContact CB-O 3.19Å; M228-L234 HydrophobicContact CE-CD1 3.93Å; M228-L234 HydrophobicContact CG-CB 3.79Å; M228-L234 HydrophobicContact SD-CB 4.3Å; M228-L234 HydrophobicContact SD-CD1 4.42Å; M228-S236 VanDerWaalsContact CB-O 3.28Å; M228-S236 WeakPolarHBondContact CB-O 3.47Å; M228-S236 WeakPolarHBondContact CG-O 3.42Å; M228-S236 PolarHBondContact N-O 2.93Å; M228-S236 VanDerWaalsContact N-O 3.09Å; M228-A240 HydrophobicContact CE-CB 3.33Å; M228-Y242 HydrophobicContact CE-CD2 3.46Å; M228-Y242 VanDerWaalsContact CE-CD2 3.46Å; M228-Y242 HydrophobicContact CE-CE2 4.32Å; M228-Y242 HydrophobicContact CE-CG 4.29Å; M228-Y242 HydrophobicContact SD-CD2 3.92Å; M228-D244 HydrophobicContact SD-CB 4.31Å; M228-I245 HydrophobicContact CB-CG2 4.33Å; M228-I245 HydrophobicContact CE-CD1 3.36Å; M228-I245 HydrophobicContact CE-CG1 3.66Å; M228-I245 HydrophobicContact CE-CG2 4.14Å; M228-I245 HydrophobicContact CG-CG2 3.7Å; M228-I245 HydrophobicContact SD-CG1 4.31Å; M228-I245 HydrophobicContact SD-CG2 3.94Å | ||
| 229 | M | 78 | Confident | 88.5 | Confident | 12 Ų | 12 | 8.1 Ų | 8.1 | 6% | 0.059 | 4% | 0.041 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.6 | 47.4 | -179.7 | -60.7 | -174.3 | 57.6 | 0 | 0 | 110.6 | M18 P155 F156 T157 Y191 E227 A231 | M18-M229 HydrophobicContact CG-CE 3.94Å; M18-M229 HydrophobicContact CG-SD 3.52Å; M18-M229 VanDerWaalsContact CG-SD 3.52Å; M18-M229 HydrophobicContact SD-CE 3.58Å; M18-M229 VanDerWaalsContact SD-CE 3.58Å; M18-M229 HydrophobicContact SD-SD 4.02Å; P155-M229 WeakPolarHBondContact O-CE 3.38Å; F156-M229 CarbonylContact C-O 3.45Å; F156-M229 HydrophobicContact CB-CB 4.22Å; F156-M229 HydrophobicContact CB-CE 3.7Å; F156-M229 HydrophobicContact CD2-CE 4.34Å; F156-M229 CarbonylContact O-C 3.57Å; T157-M229 PolarHBondContact N-O 3.48Å; Y191-M229 HydrophobicContact CD1-CE 4.29Å; Y191-M229 HydrophobicContact CE1-CE 3.88Å; Y191-M229 HydrophobicContact CE1-SD 4.03Å; E227-M229 HydrophobicContact CB-CG 3.76Å; E227-M229 HydrophobicContact CG-CB 4.42Å; E227-M229 HydrophobicContact CG-CG 3.43Å; E227-M229 VanDerWaalsContact CG-CG 3.43Å; E227-M229 PolarHBondContact O-N 2.95Å; E227-M229 PolarHBondContact OE1-N 3.18Å; M229-A231 PolarHBondContact O-N 3.14Å; M229-A231 VanDerWaalsContact O-N 3.13Å |
| 230 | G | 76.5 | Confident | 88.3 | Confident | 1 Ų | 1 | 8.1 Ų | 8.1 | 1% | 0.01 | 4% | 0.041 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | -7.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | F156 S158 M228 H232 K233 L234 | F156-G230 WeakPolarHBondContact O-CA 3.49Å; F156-G230 PolarHBondContact O-N 2.73Å; S158-G230 WeakPolarHBondContact CB-O 3.46Å; S158-G230 PolarHBondContact N-O 3.08Å; S158-G230 VanDerWaalsContact N-O 3.13Å; M228-G230 PolarHBondContact O-N 2.88Å; M228-G230 VanDerWaalsContact O-N 3.12Å; G230-H232 PolarHBondContact O-N 3.42Å; G230-K233 VanDerWaalsContact O-CA 3.3Å; G230-K233 WeakPolarHBondContact O-CA 3.43Å; G230-K233 PolarHBondContact O-N 3.22Å; G230-L234 CarbonylContact C-O 3.54Å; G230-L234 WeakPolarHBondContact CA-O 3.3Å; G230-L234 PolarHBondContact N-O 2.77Å |
| 231 | A | 82.9 | Confident | 88.1 | Confident | 6 Ų | 6 | 8.1 Ų | 8.1 | 5% | 0.05 | 4% | 0.041 | C | C | . | . | G | 310 helix | trans | -47.1 | 131.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | S158 M228 M229 K233 L234 D244 | S158-A231 VanDerWaalsContact CB-CA 3.43Å; M228-A231 WeakPolarHBondContact O-CA 3.04Å; M228-A231 WeakPolarHBondContact O-CB 3.04Å; M228-A231 PolarHBondContact O-N 3.47Å; M228-A231 HydrophobicContact SD-CB 4.26Å; M229-A231 PolarHBondContact O-N 3.14Å; M229-A231 VanDerWaalsContact O-N 3.13Å; A231-K233 PolarHBondContact O-N 2.95Å; A231-K233 VanDerWaalsContact O-N 3.13Å; A231-L234 WeakPolarHBondContact O-CB 3.31Å; A231-L234 PolarHBondContact O-N 3.12Å; A231-D244 HydrophobicContact CB-CB 3.83Å; A231-D244 WeakPolarHBondContact CB-OD2 3.42Å |
| 232 | H | 85.8 | Confident | 88 | Confident | 3 Ų | 3 | 8.1 Ų | 8.1 | 1% | 0.014 | 4% | 0.041 | C | C | . | . | G | 310 helix | trans | 57.7 | 24.8 | -176.3 | -54 | -79.7 | 0 | 0 | 0 | 114.7 | D160 L162 G230 L234 Y242 N349 E350 | D160-H232 HydrophobicContact CB-CB 4.32Å; D160-H232 IonicContact OD2-CE1 3.26Å; D160-H232 IonicContact OD2-CG 2.74Å; D160-H232 IonicContact OD2-ND1 3.84Å; D160-H232 PolarHBondContact OD2-ND1 2.87Å; L162-H232 WeakPolarHBondContact CD1-O 3.25Å; L162-H232 HydrophobicContact CD2-CB 4.08Å; L162-H232 VanDerWaalsContact CD2-O 3.3Å; L162-H232 WeakPolarHBondContact CD2-O 3.19Å; G230-H232 PolarHBondContact O-N 3.42Å; H232-L234 HydrophobicContact CB-CD1 4.13Å; H232-L234 HydrophobicContact CB-CG 4.15Å; H232-L234 PolarHBondContact O-N 3.06Å; H232-Y242 HydrophobicContact CB-CD2 4.17Å; H232-Y242 HydrophobicContact CB-CE2 3.69Å; H232-Y242 AromaticContact CD2-CD1 3.84Å; H232-Y242 AromaticContact CD2-CD2 3.18Å; H232-Y242 WeakPolarHBondContact CD2-CD2 3.33Å; H232-Y242 AromaticContact CD2-CE2 3.47Å; H232-Y242 VanDerWaalsContact CD2-CE2 3.47Å; H232-Y242 WeakPolarHBondContact CD2-CE2 2.96Å; H232-Y242 AromaticContact CD2-CG 3.4Å; H232-Y242 AromaticContact CD2-CZ 3.89Å; H232-Y242 AromaticContact CE1-CD1 3.98Å; H232-Y242 AromaticContact CE1-CE1 3.85Å; H232-Y242 AromaticContact CG-CD2 3.68Å; H232-Y242 AromaticContact CG-CE2 3.43Å; H232-Y242 VanDerWaalsContact CG-CE2 3.43Å; H232-Y242 AromaticContact CG-CZ 3.69Å; H232-Y242 AromaticContact ND1-CZ 3.82Å; H232-Y242 AromaticContact NE2-CD1 3.53Å; H232-Y242 AromaticContact NE2-CD2 3.79Å; H232-Y242 AromaticContact NE2-CE1 3.85Å; H232-Y242 AromaticContact NE2-CG 3.5Å; H232-N349 PolarHBondContact CE1-O 3.38Å; H232-N349 PolarHBondContact NE2-O 3.43Å; H232-E350 PolarHBondContact CE1-O 3.37Å; H232-E350 VanDerWaalsContact CE1-O 3.27Å |
| 233 | K | 82.5 | Confident | 87.9 | Confident | 90 Ų | 90 | 8.6 Ų | 8.6 | 39% | 0.391 | 4% | 0.043 | S | C | . | . | G | 310 helix | trans | 57.8 | 20.9 | -169.2 | -58.7 | -177.5 | 176.4 | 150.1 | 0 | 113.9 | D160 L162 A173 G230 A231 | D160-K233 WeakPolarHBondContact O-CD 3.32Å; D160-K233 WeakPolarHBondContact O-CE 3.45Å; D160-K233 WeakPolarHBondContact O-CG 3.17Å; D160-K233 PolarHBondContact O-NZ 2.68Å; L162-K233 HydrophobicContact CD1-CB 4.44Å; A173-K233 HydrophobicContact CB-CB 4.25Å; A173-K233 WeakPolarHBondContact CB-O 3.25Å; G230-K233 VanDerWaalsContact O-CA 3.3Å; G230-K233 WeakPolarHBondContact O-CA 3.43Å; G230-K233 PolarHBondContact O-N 3.22Å; A231-K233 PolarHBondContact O-N 2.95Å; A231-K233 VanDerWaalsContact O-N 3.13Å |
| 234 | L | 85.4 | Confident | 87.8 | Confident | 1 Ų | 1 | 10.3 Ų | 10.3 | 1% | 0.005 | 5% | 0.053 | C | C | . | . | trans | -101.3 | 150.9 | 177.1 | -55.3 | 176.5 | 0 | 0 | 0 | 109.7 | H169 W172 A173 M228 G230 A231 H232 A240 Y242 | H169-L234 HydrophobicContact CB-CD1 4.44Å; H169-L234 HydrophobicContact CB-CD2 4.48Å; H169-L234 WeakPolarHBondContact O-CD2 3.41Å; W172-L234 HydrophobicContact CB-CD2 4.08Å; W172-L234 HydrophobicContact CD2-CB 4.46Å; W172-L234 HydrophobicContact CD2-CD2 3.83Å; W172-L234 HydrophobicContact CE3-CB 4.26Å; W172-L234 HydrophobicContact CE3-CD1 3.72Å; W172-L234 HydrophobicContact CE3-CD2 3.69Å; W172-L234 HydrophobicContact CE3-CG 4.09Å; W172-L234 HydrophobicContact CG-CD2 4.02Å; W172-L234 HydrophobicContact CH2-CB 4.36Å; W172-L234 HydrophobicContact CZ3-CB 4.2Å; W172-L234 HydrophobicContact CZ3-CD1 3.7Å; W172-L234 HydrophobicContact CZ3-CD2 4.41Å; W172-L234 HydrophobicContact CZ3-CG 4.31Å; A173-L234 HydrophobicContact CB-CD2 3.98Å; M228-L234 HydrophobicContact CB-CB 4.12Å; M228-L234 VanDerWaalsContact CB-O 3.29Å; M228-L234 WeakPolarHBondContact CB-O 3.19Å; M228-L234 HydrophobicContact CE-CD1 3.93Å; M228-L234 HydrophobicContact CG-CB 3.79Å; M228-L234 HydrophobicContact SD-CB 4.3Å; M228-L234 HydrophobicContact SD-CD1 4.42Å; G230-L234 CarbonylContact C-O 3.54Å; G230-L234 WeakPolarHBondContact CA-O 3.3Å; G230-L234 PolarHBondContact N-O 2.77Å; A231-L234 WeakPolarHBondContact O-CB 3.31Å; A231-L234 PolarHBondContact O-N 3.12Å; H232-L234 HydrophobicContact CB-CD1 4.13Å; H232-L234 HydrophobicContact CB-CG 4.15Å; H232-L234 PolarHBondContact O-N 3.06Å; L234-A240 HydrophobicContact CD1-CB 4.38Å; L234-Y242 HydrophobicContact CD1-CD2 4.24Å; L234-Y242 HydrophobicContact CD1-CE2 3.79Å | ||
| 235 | I | 79.6 | Confident | 87.8 | Confident | 18 Ų | 18 | 10.3 Ų | 10.3 | 9% | 0.092 | 5% | 0.053 | C | C | . | . | trans | -130 | 148.3 | 175.7 | -58.8 | 176.5 | 0 | 0 | 0 | 107.6 | P155 W172 P177 P179 | P155-I235 HydrophobicContact CB-CG2 4.2Å; P155-I235 HydrophobicContact CG-CG2 4.44Å; W172-I235 WeakPolarHBondContact CZ2-O 3.19Å; W172-I235 PolarHBondContact NE1-O 3.23Å; P177-I235 WeakPolarHBondContact O-CD1 3.3Å; P179-I235 HydrophobicContact CB-CD1 3.69Å; P179-I235 HydrophobicContact CB-CG1 4.13Å; P179-I235 HydrophobicContact CG-CD1 3.95Å; P179-I235 HydrophobicContact CG-CG1 4.17Å | ||
| 236 | S | 82.3 | Confident | 87.9 | Confident | 11 Ų | 11 | 10.3 Ų | 10.3 | 8% | 0.077 | 5% | 0.053 | C | C | . | . | S | Bend | trans | 76.7 | -156.9 | -175.8 | -147.6 | 0 | 0 | 0 | 0 | 112.1 | E227 M228 | E227-S236 VanDerWaalsContact CD-CA 3.5Å; E227-S236 VanDerWaalsContact OE1-C 3.31Å; E227-S236 WeakPolarHBondContact OE1-CA 3.27Å; E227-S236 PolarHBondContact OE1-N 3.41Å; E227-S236 VanDerWaalsContact OE1-O 3.1Å; E227-S236 WeakPolarHBondContact OE2-CA 2.94Å; M228-S236 VanDerWaalsContact CB-O 3.28Å; M228-S236 WeakPolarHBondContact CB-O 3.47Å; M228-S236 WeakPolarHBondContact CG-O 3.42Å; M228-S236 PolarHBondContact N-O 2.93Å; M228-S236 VanDerWaalsContact N-O 3.09Å |
| 237 | K | 87.5 | Confident | 88.2 | Confident | 18 Ų | 18 | 13.7 Ų | 13.7 | 8% | 0.078 | 7% | 0.065 | C | C | . | . | trans | -125.3 | 153.3 | 178.1 | 60.4 | -84.8 | -175 | -176.6 | 0 | 108.9 | P50 H153 I245 | P50-K237 VanDerWaalsContact O-CB 3.32Å; P50-K237 WeakPolarHBondContact O-CB 3.12Å; H153-K237 PolarHBondContact NE2-NZ 3.49Å; K237-I245 HydrophobicContact CB-CG2 4.28Å | ||
| 238 | G | 89 | Confident | 88.7 | Confident | 2 Ų | 2 | 13.7 Ų | 13.7 | 2% | 0.021 | 7% | 0.066 | C | C | . | . | trans | 177.8 | -158.9 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A240 F305 | G238-A240 PolarHBondContact O-N 2.95Å; G238-F305 WeakPolarHBondContact O-CD2 3.41Å; G238-F305 VanDerWaalsContact O-CE2 3.25Å; G238-F305 WeakPolarHBondContact O-CE2 3.45Å | ||
| 239 | A | 90.2 | Very high | 89.4 | Confident | 7 Ų | 7 | 13.7 Ų | 13.7 | 6% | 0.058 | 7% | 0.066 | C | C | . | . | S | Bend | trans | -76.3 | 40.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | H168 F305 I319 | H168-A239 PolarHBondContact NE2-O 3.48Å; A239-F305 HydrophobicContact CB-CD1 3.68Å; A239-F305 HydrophobicContact CB-CE1 3.34Å; A239-F305 HydrophobicContact CB-CE2 4.41Å; A239-F305 HydrophobicContact CB-CG 4.37Å; A239-F305 HydrophobicContact CB-CZ 3.73Å; A239-I319 HydrophobicContact CB-CB 3.99Å; A239-I319 HydrophobicContact CB-CD1 3.72Å; A239-I319 HydrophobicContact CB-CG1 4.45Å; A239-I319 HydrophobicContact CB-CG2 3.82Å |
| 240 | A | 93.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 6% | 0.063 | C | C | . | . | trans | -120.6 | 157.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109 | H169 W172 M228 L234 G238 Y242 I245 | H169-A240 WeakPolarHBondContact NE2-CB 3.2Å; W172-A240 HydrophobicContact CZ3-CB 3.91Å; M228-A240 HydrophobicContact CE-CB 3.33Å; L234-A240 HydrophobicContact CD1-CB 4.38Å; G238-A240 PolarHBondContact O-N 2.95Å; A240-Y242 HydrophobicContact CB-CD2 4.08Å; A240-Y242 HydrophobicContact CB-CE2 4.24Å; A240-I245 HydrophobicContact CB-CD1 4.19Å; A240-I245 WeakPolarHBondContact O-CD1 3.06Å | ||
| 241 | M | 96.2 | Very high | 91.4 | Very high | 1 Ų | 1 | 13.1 Ų | 13.1 | 1% | 0.005 | 6% | 0.063 | C | C | . | . | trans | -123.1 | 23.5 | -172.4 | -62.4 | -65.7 | 146.7 | 0 | 0 | 112.9 | P50 T246 V303 F305 V321 C323 K330 V332 | P50-M241 HydrophobicContact CG-CE 4.22Å; M241-T246 HydrophobicContact CB-CG2 4.49Å; M241-T246 PolarHBondContact O-OG1 3.31Å; M241-T246 HydrophobicContact SD-CG2 4.13Å; M241-V303 HydrophobicContact SD-CB 4.26Å; M241-V303 HydrophobicContact SD-CG1 3.94Å; M241-F305 HydrophobicContact CE-CB 3.3Å; M241-F305 HydrophobicContact CE-CG 4.16Å; M241-V321 HydrophobicContact CE-CB 3.88Å; M241-V321 HydrophobicContact CE-CG1 3.7Å; M241-V321 HydrophobicContact CG-CG1 3.8Å; M241-V321 HydrophobicContact SD-CG1 4.39Å; M241-C323 HydrophobicContact CB-CB 3.92Å; M241-C323 HydrophobicContact CG-CB 3.69Å; M241-C323 HydrophobicContact SD-CB 3.81Å; M241-K330 WeakPolarHBondContact O-CD 3.41Å; M241-K330 PolarHBondContact O-NZ 3.46Å; M241-V332 HydrophobicContact CB-CB 4.49Å; M241-V332 HydrophobicContact CB-CG1 4.02Å; M241-V332 HydrophobicContact CB-CG2 3.63Å; M241-V332 HydrophobicContact CG-CG1 3.64Å; M241-V332 HydrophobicContact CG-CG2 4.16Å | ||
| 242 | Y | 96.2 | Very high | 92.2 | Very high | 1 Ų | 1 | 12.9 Ų | 12.9 | 0% | 0.004 | 6% | 0.061 | C | C | . | . | trans | -67.6 | 150 | 177.4 | -56.5 | -53.6 | 0 | 0 | 0 | 111.6 | K165 H169 M228 H232 L234 A240 D244 I245 T246 Y342 E350 | K165-Y242 WeakPolarHBondContact CD-OH 2.93Å; K165-Y242 WeakPolarHBondContact CE-OH 2.84Å; H169-Y242 AromaticContact CE1-CE2 3.93Å; H169-Y242 AromaticContact CE1-CZ 3.81Å; H169-Y242 AromaticContact ND1-CE2 3.97Å; H169-Y242 AromaticContact ND1-CZ 3.79Å; H169-Y242 PolarHBondContact ND1-OH 2.99Å; H169-Y242 VanDerWaalsContact ND1-OH 3.1Å; M228-Y242 HydrophobicContact CE-CD2 3.46Å; M228-Y242 VanDerWaalsContact CE-CD2 3.46Å; M228-Y242 HydrophobicContact CE-CE2 4.32Å; M228-Y242 HydrophobicContact CE-CG 4.29Å; M228-Y242 HydrophobicContact SD-CD2 3.92Å; H232-Y242 HydrophobicContact CB-CD2 4.17Å; H232-Y242 HydrophobicContact CB-CE2 3.69Å; H232-Y242 AromaticContact CD2-CD1 3.84Å; H232-Y242 AromaticContact CD2-CD2 3.18Å; H232-Y242 WeakPolarHBondContact CD2-CD2 3.33Å; H232-Y242 AromaticContact CD2-CE2 3.47Å; H232-Y242 VanDerWaalsContact CD2-CE2 3.47Å; H232-Y242 WeakPolarHBondContact CD2-CE2 2.96Å; H232-Y242 AromaticContact CD2-CG 3.4Å; H232-Y242 AromaticContact CD2-CZ 3.89Å; H232-Y242 AromaticContact CE1-CD1 3.98Å; H232-Y242 AromaticContact CE1-CE1 3.85Å; H232-Y242 AromaticContact CG-CD2 3.68Å; H232-Y242 AromaticContact CG-CE2 3.43Å; H232-Y242 VanDerWaalsContact CG-CE2 3.43Å; H232-Y242 AromaticContact CG-CZ 3.69Å; H232-Y242 AromaticContact ND1-CZ 3.82Å; H232-Y242 AromaticContact NE2-CD1 3.53Å; H232-Y242 AromaticContact NE2-CD2 3.79Å; H232-Y242 AromaticContact NE2-CE1 3.85Å; H232-Y242 AromaticContact NE2-CG 3.5Å; L234-Y242 HydrophobicContact CD1-CD2 4.24Å; L234-Y242 HydrophobicContact CD1-CE2 3.79Å; A240-Y242 HydrophobicContact CB-CD2 4.08Å; A240-Y242 HydrophobicContact CB-CE2 4.24Å; Y242-D244 PolarHBondContact O-N 3.17Å; Y242-I245 PolarHBondContact O-N 3.37Å; Y242-I245 VanDerWaalsContact O-N 3.16Å; Y242-T246 VanDerWaalsContact C-OG1 3.32Å; Y242-T246 WeakPolarHBondContact O-CB 2.77Å; Y242-T246 WeakPolarHBondContact O-CG2 3.47Å; Y242-T246 PolarHBondContact O-N 3.3Å; Y242-T246 PolarHBondContact O-OG1 2.84Å; Y242-Y342 HydrophobicContact CD1-CE2 4.31Å; Y242-Y342 AromaticContact CE1-CE2 3.9Å; Y242-Y342 HydrophobicContact CE1-CE2 3.9Å; Y242-Y342 AromaticContact CE1-CZ 3.83Å; Y242-E350 VanDerWaalsContact CA-OE2 3.23Å; Y242-E350 WeakPolarHBondContact CA-OE2 3.2Å; Y242-E350 HydrophobicContact CD1-CB 4.03Å; Y242-E350 HydrophobicContact CE1-CB 4.41Å | ||
| 243 | D | 95.7 | Very high | 92.7 | Very high | 9 Ų | 9 | 14 Ų | 14 | 5% | 0.048 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -58.3 | -28.7 | 179.6 | -91.1 | 5.6 | 0 | 0 | 0 | 111.1 | Y46 I245 T246 R247 K330 E350 | Y46-D243 WeakPolarHBondContact CE1-OD1 3.01Å; Y46-D243 PolarHBondContact OH-OD1 3.29Å; Y46-D243 PolarHBondContact OH-OD2 3.31Å; D243-I245 PolarHBondContact O-N 2.99Å; D243-T246 PolarHBondContact O-N 3.22Å; D243-R247 HydrophobicContact CB-CB 3.82Å; D243-R247 WeakPolarHBondContact O-CA 3.43Å; D243-R247 WeakPolarHBondContact O-CB 3.43Å; D243-R247 PolarHBondContact O-N 2.92Å; D243-R247 IonicContact OD2-CZ 3.89Å; D243-R247 IonicContact OD2-NE 3.84Å; D243-R247 PolarHBondContact OD2-NE 3.43Å; D243-R247 IonicContact OD2-NH1 2.77Å; D243-R247 PolarHBondContact OD2-NH1 3.01Å; D243-R247 IonicContact OD2-NH2 3.35Å; D243-K330 WeakPolarHBondContact OD1-CE 3.42Å; D243-K330 IonicContact OD1-NZ 3.3Å; D243-K330 PolarHBondContact OD1-NZ 3.48Å; D243-E350 PolarHBondContact N-OE2 2.94Å |
| 244 | D | 92.7 | Very high | 93.4 | Very high | 37 Ų | 37 | 10 Ų | 10 | 20% | 0.198 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -57.9 | -31.3 | 177 | -61.2 | -86.3 | 0 | 0 | 0 | 113.7 | A15 G226 E227 M228 A231 Y242 | A15-D244 VanDerWaalsContact CB-O 3.25Å; A15-D244 WeakPolarHBondContact CB-O 2.91Å; G226-D244 CarbonylContact C-O 3.35Å; G226-D244 VanDerWaalsContact CA-O 3.31Å; G226-D244 WeakPolarHBondContact CA-O 3.18Å; E227-D244 PolarHBondContact N-O 2.79Å; M228-D244 HydrophobicContact SD-CB 4.31Å; A231-D244 HydrophobicContact CB-CB 3.83Å; A231-D244 WeakPolarHBondContact CB-OD2 3.42Å; Y242-D244 PolarHBondContact O-N 3.17Å |
| 245 | I | 94.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -110.1 | -20.1 | 175.5 | 57.9 | 168.2 | 0 | 0 | 0 | 113.9 | P50 G226 E227 M228 K237 A240 Y242 D243 | P50-I245 HydrophobicContact CB-CB 4.07Å; P50-I245 HydrophobicContact CB-CD1 3.8Å; P50-I245 HydrophobicContact CB-CG1 4.01Å; P50-I245 HydrophobicContact CG-CD1 4.07Å; G226-I245 PolarHBondContact N-O 2.79Å; E227-I245 VanDerWaalsContact C-CG2 3.45Å; M228-I245 HydrophobicContact CB-CG2 4.33Å; M228-I245 HydrophobicContact CE-CD1 3.36Å; M228-I245 HydrophobicContact CE-CG1 3.66Å; M228-I245 HydrophobicContact CE-CG2 4.14Å; M228-I245 HydrophobicContact CG-CG2 3.7Å; M228-I245 HydrophobicContact SD-CG1 4.31Å; M228-I245 HydrophobicContact SD-CG2 3.94Å; K237-I245 HydrophobicContact CB-CG2 4.28Å; A240-I245 HydrophobicContact CB-CD1 4.19Å; A240-I245 WeakPolarHBondContact O-CD1 3.06Å; Y242-I245 PolarHBondContact O-N 3.37Å; Y242-I245 VanDerWaalsContact O-N 3.16Å; D243-I245 PolarHBondContact O-N 2.99Å |
| 246 | T | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -102.5 | -33.4 | -174.6 | 60.5 | 0 | 0 | 0 | 0 | 114.2 | Y46 T47 P50 M241 Y242 D243 V303 | Y46-T246 WeakPolarHBondContact CA-O 3.39Å; Y46-T246 WeakPolarHBondContact CD1-O 3.47Å; T47-T246 PolarHBondContact N-O 2.75Å; P50-T246 HydrophobicContact CB-CG2 4.17Å; P50-T246 HydrophobicContact CG-CG2 4.3Å; M241-T246 HydrophobicContact CB-CG2 4.49Å; M241-T246 PolarHBondContact O-OG1 3.31Å; M241-T246 HydrophobicContact SD-CG2 4.13Å; Y242-T246 VanDerWaalsContact C-OG1 3.32Å; Y242-T246 WeakPolarHBondContact O-CB 2.77Å; Y242-T246 WeakPolarHBondContact O-CG2 3.47Å; Y242-T246 PolarHBondContact O-N 3.3Å; Y242-T246 PolarHBondContact O-OG1 2.84Å; D243-T246 PolarHBondContact O-N 3.22Å; T246-V303 HydrophobicContact CG2-CG1 3.94Å |
| 247 | R | 97.3 | Very high | 95 | Very high | 70 Ų | 70 | 17.9 Ų | 17.9 | 26% | 0.264 | 9% | 0.092 | S | C | . | . | B | Isolated β-bridge | trans | -89.6 | 119.6 | 179.4 | -171.8 | 174.6 | 62.9 | -174 | -15.8 | 109.4 | T16 A45 Y46 D243 | T16-R247 HydrophobicContact CG2-CG 4.19Å; A45-R247 WeakPolarHBondContact O-CA 3.41Å; A45-R247 WeakPolarHBondContact O-CG 3.42Å; Y46-R247 HydrophobicContact CD1-CB 4.36Å; Y46-R247 HydrophobicContact CE1-CB 3.84Å; Y46-R247 HydrophobicContact CE1-CG 4.41Å; D243-R247 HydrophobicContact CB-CB 3.82Å; D243-R247 WeakPolarHBondContact O-CA 3.43Å; D243-R247 WeakPolarHBondContact O-CB 3.43Å; D243-R247 PolarHBondContact O-N 2.92Å; D243-R247 IonicContact OD2-CZ 3.89Å; D243-R247 IonicContact OD2-NE 3.84Å; D243-R247 PolarHBondContact OD2-NE 3.43Å; D243-R247 IonicContact OD2-NH1 2.77Å; D243-R247 PolarHBondContact OD2-NH1 3.01Å; D243-R247 IonicContact OD2-NH2 3.35Å |
| 248 | I | 96.8 | Very high | 95.3 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | trans | -112.7 | 153.5 | -170.9 | 49.1 | 135.8 | 0 | 0 | 0 | 111.2 | T16 A45 T222 L250 H268 | T16-I248 WeakPolarHBondContact CG2-O 3.4Å; A45-I248 HydrophobicContact CB-CD1 4.23Å; A45-I248 HydrophobicContact CB-CG1 4.15Å; A45-I248 WeakPolarHBondContact O-CG1 3.47Å; A45-I248 PolarHBondContact O-N 3.03Å; T222-I248 WeakPolarHBondContact OG1-CD1 3.44Å; I248-L250 PolarHBondContact O-N 3.32Å; I248-H268 WeakPolarHBondContact CD1-CD2 3.43Å; I248-H268 WeakPolarHBondContact CD1-NE2 3.44Å | ||
| 249 | P | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -63.4 | 137.2 | 166.2 | 28.4 | -34.1 | 0 | 0 | 0 | 109.6 | Q14 V19 Y22 Y221 T222 | Q14-P249 WeakPolarHBondContact O-CD 3.11Å; V19-P249 HydrophobicContact CG2-CB 4.15Å; V19-P249 HydrophobicContact CG2-CG 4.21Å; Y22-P249 HydrophobicContact CD2-CB 4.13Å; Y22-P249 HydrophobicContact CE2-CB 3.59Å; Y221-P249 HydrophobicContact CE1-CB 3.81Å; Y221-P249 HydrophobicContact CE1-CG 4.1Å; T222-P249 WeakPolarHBondContact CA-O 3.38Å; T222-P249 WeakPolarHBondContact CB-O 3.49Å; T222-P249 PolarHBondContact OG1-O 2.78Å | ||
| 250 | L | 98.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 118 | 169.4 | 173.9 | 62 | 0 | 0 | 0 | 110.6 | Y22 F42 A45 I220 Y221 I248 I252 V266 L271 I292 | Y22-L250 VanDerWaalsContact OH-C 3.22Å; Y22-L250 PolarHBondContact OH-N 3.4Å; Y22-L250 PolarHBondContact OH-O 3.38Å; F42-L250 HydrophobicContact CB-CB 4.13Å; F42-L250 HydrophobicContact CB-CD2 4.12Å; F42-L250 HydrophobicContact CB-CG 4.21Å; F42-L250 HydrophobicContact CD1-CD2 4.49Å; F42-L250 HydrophobicContact CD2-CB 4.48Å; F42-L250 HydrophobicContact CD2-CD2 3.94Å; F42-L250 HydrophobicContact CD2-CG 3.79Å; F42-L250 HydrophobicContact CE2-CG 4.48Å; F42-L250 HydrophobicContact CG-CD2 3.93Å; F42-L250 HydrophobicContact CG-CG 4.16Å; F42-L250 PolarHBondContact N-O 2.95Å; A45-L250 HydrophobicContact CB-CB 3.46Å; A45-L250 VanDerWaalsContact CB-CB 3.46Å; A45-L250 HydrophobicContact CB-CD2 3.8Å; A45-L250 HydrophobicContact CB-CG 4.28Å; I220-L250 HydrophobicContact CG2-CD1 4.26Å; Y221-L250 WeakPolarHBondContact O-CA 3.4Å; I248-L250 PolarHBondContact O-N 3.32Å; L250-I252 HydrophobicContact CD1-CG1 4.34Å; L250-V266 HydrophobicContact CD2-CG2 3.87Å; L250-L271 HydrophobicContact CD1-CD1 4.14Å; L250-L271 HydrophobicContact CD1-CD2 3.75Å; L250-L271 HydrophobicContact CD2-CD2 4.08Å; L250-I292 HydrophobicContact CD2-CD1 3.99Å |
| 251 | I | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 135.2 | 177.5 | -58.4 | 163.1 | 0 | 0 | 0 | 109 | Y22 I32 L35 A36 I40 I220 Y221 | Y22-I251 HydrophobicContact CE2-CD1 4.34Å; Y22-I251 HydrophobicContact CE2-CG1 4.37Å; I32-I251 HydrophobicContact CG2-CD1 3.66Å; L35-I251 HydrophobicContact CD2-CB 4.4Å; L35-I251 HydrophobicContact CD2-CG2 4.15Å; L35-I251 HydrophobicContact CG-CG2 3.8Å; A36-I251 HydrophobicContact CB-CD1 3.66Å; A36-I251 HydrophobicContact CB-CG1 4.2Å; A36-I251 HydrophobicContact CB-CG2 4.5Å; I40-I251 WeakPolarHBondContact O-CA 3.48Å; I220-I251 CarbonylContact C-O 3.36Å; I220-I251 WeakPolarHBondContact CA-O 3.4Å; Y221-I251 HydrophobicContact CD1-CB 4.39Å; Y221-I251 HydrophobicContact CD1-CD1 3.86Å; Y221-I251 HydrophobicContact CD1-CG1 4.28Å; Y221-I251 HydrophobicContact CE1-CD1 4.37Å; Y221-I251 PolarHBondContact N-O 3.15Å; Y221-I251 PolarHBondContact O-N 3.43Å |
| 252 | I | 98.5 | Very high | 96 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 116.4 | 173.7 | -58.8 | -177.2 | 0 | 0 | 0 | 108.8 | I40 F42 W218 I220 L250 L271 I292 | I40-I252 PolarHBondContact N-O 3.3Å; I40-I252 PolarHBondContact O-N 2.85Å; F42-I252 HydrophobicContact CE2-CB 4.16Å; F42-I252 HydrophobicContact CE2-CD1 3.82Å; F42-I252 HydrophobicContact CE2-CG1 3.85Å; F42-I252 HydrophobicContact CZ-CD1 4.16Å; W218-I252 HydrophobicContact CE3-CG2 3.62Å; W218-I252 HydrophobicContact CZ3-CG2 3.83Å; I220-I252 HydrophobicContact CG1-CG1 4.28Å; I220-I252 HydrophobicContact CG1-CG2 4.35Å; I220-I252 HydrophobicContact CG2-CG1 4.29Å; L250-I252 HydrophobicContact CD1-CG1 4.34Å; I252-L271 HydrophobicContact CD1-CD2 4.2Å; I252-I292 HydrophobicContact CD1-CD1 3.9Å; I252-I292 HydrophobicContact CD1-CG1 4.48Å |
| 253 | R | 97.7 | Very high | 96 | Very high | 25 Ų | 25 | 47.1 Ų | 47.1 | 9% | 0.094 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 118.1 | 173.2 | -175.1 | -148.7 | 174.6 | -102.2 | -4.2 | 109.3 | L35 E38 W218 V219 | L35-R253 HydrophobicContact CD1-CB 3.55Å; L35-R253 HydrophobicContact CD1-CG 4.14Å; L35-R253 HydrophobicContact CG-CB 4.5Å; E38-R253 HydrophobicContact CB-CG 4.47Å; E38-R253 IonicContact OE2-NE 2.75Å; E38-R253 PolarHBondContact OE2-NE 3.09Å; E38-R253 IonicContact OE2-NH2 2.72Å; W218-R253 WeakPolarHBondContact CA-O 3.31Å; V219-R253 HydrophobicContact CB-CB 4.32Å; V219-R253 PolarHBondContact N-O 2.85Å; V219-R253 PolarHBondContact O-N 3.01Å |
| 254 | S | 96.9 | Very high | 96 | Very high | 7 Ų | 7 | 46.9 Ų | 46.9 | 5% | 0.049 | 22% | 0.216 | C | C | . | . | trans | -70.2 | 162.3 | 170.4 | 70.5 | 0 | 0 | 0 | 0 | 111.1 | W218 Q256 G257 | W218-S254 VanDerWaalsContact CH2-CB 3.41Å; W218-S254 VanDerWaalsContact CZ3-CB 3.46Å; S254-Q256 PolarHBondContact O-N 2.9Å; S254-G257 PolarHBondContact O-N 3.22Å; S254-G257 PolarHBondContact OG-N 2.69Å | ||
| 255 | P | 95.7 | Very high | 96.3 | Very high | 13 Ų | 13 | 45.1 Ų | 45.1 | 8% | 0.084 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -33.2 | 177.6 | -20.1 | 29 | 0 | 0 | 0 | 113.3 | E215 G257 | E215-P255 VanDerWaalsContact C-CB 3.46Å; E215-P255 WeakPolarHBondContact O-CB 3.46Å; P255-G257 VanDerWaalsContact C-N 3.29Å |
| 256 | Q | 93 | Very high | 96.5 | Very high | 156 Ų | 156 | 45.1 Ų | 45.1 | 73% | 0.729 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -13.4 | 177 | -64.8 | 74.8 | 42.3 | 0 | 0 | 113.2 | S254 | S254-Q256 PolarHBondContact O-N 2.9Š|
| 257 | G | 91.6 | Very high | 96.5 | Very high | 27 Ų | 27 | 45.2 Ų | 45.2 | 28% | 0.278 | 21% | 0.207 | S | C | . | . | trans | 70.3 | 143.2 | -166.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E38 S254 P255 | E38-G257 CarbonylContact O-C 3.57Å; E38-G257 WeakPolarHBondContact O-CA 3.48Å; S254-G257 PolarHBondContact O-N 3.22Å; S254-G257 PolarHBondContact OG-N 2.69Å; P255-G257 VanDerWaalsContact C-N 3.29Å | ||
| 258 | E | 93.7 | Very high | 96.5 | Very high | 76 Ų | 76 | 42 Ų | 42 | 36% | 0.355 | 20% | 0.195 | S | C | . | . | trans | -153.5 | 107.6 | 174.8 | -179 | -173.8 | 163.3 | 0 | 0 | 107.8 | E38 G39 I40 R260 | E38-E258 PolarHBondContact O-N 2.99Å; G39-E258 CarbonylContact C-O 3.48Å; G39-E258 WeakPolarHBondContact CA-O 3.22Å; I40-E258 HydrophobicContact CG1-CB 4.43Å; I40-E258 PolarHBondContact N-O 2.72Å; E258-R260 HydrophobicContact CG-CB 4.19Å; E258-R260 PolarHBondContact O-N 3.04Å; E258-R260 VanDerWaalsContact O-N 3.16Å; E258-R260 WeakPolarHBondContact OE1-CD 3.49Å; E258-R260 IonicContact OE1-NH1 3.27Å | ||
| 259 | R | 95.5 | Very high | 96.6 | Very high | 214 Ų | 214 | 42 Ų | 42 | 81% | 0.808 | 20% | 0.195 | S | C | * | . | trans | -77.5 | 103.2 | 175.1 | -175.8 | 178.5 | -179 | -166 | 1.9 | 109.9 | A37 | A37-R259 WeakPolarHBondContact O-CB 3.5Å; A37-R259 WeakPolarHBondContact O-CG 3.37Å | ||
| 260 | R | 96.2 | Very high | 96.6 | Very high | 124 Ų | 124 | 42 Ų | 42 | 47% | 0.468 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 155.7 | -179.4 | -179 | 172.8 | 173.4 | -176 | -2.8 | 111.9 | G39 I40 R41 E258 V262 | G39-R260 PolarHBondContact O-N 2.87Å; I40-R260 WeakPolarHBondContact CA-O 3.13Å; I40-R260 HydrophobicContact CG1-CB 4.28Å; I40-R260 HydrophobicContact CG2-CB 4.32Å; I40-R260 HydrophobicContact CG2-CG 4.4Å; R41-R260 PolarHBondContact N-O 2.72Å; E258-R260 HydrophobicContact CG-CB 4.19Å; E258-R260 PolarHBondContact O-N 3.04Å; E258-R260 VanDerWaalsContact O-N 3.16Å; E258-R260 WeakPolarHBondContact OE1-CD 3.49Å; E258-R260 IonicContact OE1-NH1 3.27Å; R260-V262 HydrophobicContact CG-CG2 4.46Å |
| 261 | Q | 96.3 | Very high | 96.6 | Very high | 108 Ų | 108 | 42 Ų | 42 | 51% | 0.505 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 144.1 | 168.7 | -58.7 | -176.4 | 35.1 | 0 | 0 | 109.7 | R41 N43 | R41-Q261 CarbonylContact O-C 3.49Å; R41-Q261 WeakPolarHBondContact O-CA 3.38Å; N43-Q261 PolarHBondContact ND2-OE1 3.13Å |
| 262 | V | 96.5 | Very high | 96.6 | Very high | 16 Ų | 16 | 42 Ų | 42 | 10% | 0.097 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 120.1 | 177.1 | 177 | 0 | 0 | 0 | 0 | 108.3 | I40 R41 F42 N43 R260 | I40-V262 HydrophobicContact CG2-CG2 3.71Å; R41-V262 PolarHBondContact O-N 3.48Å; F42-V262 CarbonylContact C-O 3.48Å; F42-V262 WeakPolarHBondContact CA-O 3.41Å; F42-V262 HydrophobicContact CD1-CB 3.76Å; F42-V262 HydrophobicContact CD1-CG1 3.85Å; F42-V262 HydrophobicContact CD1-CG2 4.4Å; F42-V262 HydrophobicContact CE1-CB 3.98Å; F42-V262 HydrophobicContact CE1-CG1 3.99Å; F42-V262 HydrophobicContact CE1-CG2 4.16Å; F42-V262 HydrophobicContact CG-CB 4.42Å; N43-V262 PolarHBondContact N-O 3.17Å; R260-V262 HydrophobicContact CG-CG2 4.46Å |
| 263 | D | 95.4 | Very high | 96.6 | Very high | 104 Ų | 104 | 42 Ų | 42 | 56% | 0.556 | 20% | 0.195 | S | C | * | . | trans | -94.4 | -16.3 | -179.4 | -64 | -44.3 | 0 | 0 | 0 | 112.9 | N43 S44 | N43-D263 VanDerWaalsContact CB-OD1 3.31Å; N43-D263 WeakPolarHBondContact CB-OD1 3.29Å; N43-D263 PolarHBondContact ND2-OD1 3.43Å; S44-D263 WeakPolarHBondContact CB-O 3.27Å | ||
| 264 | T | 96.7 | Very high | 96.6 | Very high | 5 Ų | 5 | 40.9 Ų | 40.9 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -58.4 | 133.9 | 178.5 | -47 | 0 | 0 | 0 | 0 | 111.5 | V266 V295 E297 R299 | T264-V266 PolarHBondContact O-N 2.72Å; T264-V295 HydrophobicContact CG2-CG1 4.37Å; T264-E297 HydrophobicContact CG2-CG 3.66Å; T264-E297 WeakPolarHBondContact OG1-CG 2.94Å; T264-E297 PolarHBondContact OG1-OE1 2.8Å; T264-E297 VanDerWaalsContact OG1-OE1 3.09Å; T264-E297 PolarHBondContact OG1-OE2 3.47Å; T264-R299 HydrophobicContact CG2-CG 3.95Å |
| 265 | P | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -56.3 | 128.2 | 173.5 | -27.2 | 31 | 0 | 0 | 0 | 113.1 | S44 R299 V301 D327 | S44-P265 VanDerWaalsContact O-CA 3.29Å; S44-P265 WeakPolarHBondContact O-CA 3.46Å; P265-R299 WeakPolarHBondContact O-CD 3.43Å; P265-V301 HydrophobicContact CB-CG1 4.26Å; P265-V301 HydrophobicContact CB-CG2 3.87Å; P265-D327 WeakPolarHBondContact CD-OD1 3.32Å | ||
| 266 | V | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 156.1 | 174.7 | -61.4 | 0 | 0 | 0 | 0 | 110.2 | F42 S44 A45 Y46 L250 T264 I292 | F42-V266 HydrophobicContact CB-CG2 4.27Å; F42-V266 HydrophobicContact CD1-CG1 4.11Å; F42-V266 HydrophobicContact CD1-CG2 3.88Å; F42-V266 HydrophobicContact CE1-CG1 4.33Å; F42-V266 HydrophobicContact CG-CG2 4.32Å; S44-V266 PolarHBondContact O-N 2.97Å; A45-V266 WeakPolarHBondContact CA-O 3.46Å; A45-V266 HydrophobicContact CB-CG2 3.67Å; Y46-V266 PolarHBondContact N-O 2.94Å; L250-V266 HydrophobicContact CD2-CG2 3.87Å; T264-V266 PolarHBondContact O-N 2.72Å; V266-I292 HydrophobicContact CB-CB 4.49Å; V266-I292 HydrophobicContact CB-CG2 3.85Å; V266-I292 HydrophobicContact CG1-CB 3.83Å; V266-I292 HydrophobicContact CG1-CG2 3.57Å |
| 267 | S | 98.2 | Very high | 97 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.014 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 154.5 | 178.9 | -174.3 | 0 | 0 | 0 | 0 | 112 | Y46 I269 D270 | Y46-S267 CarbonylContact O-C 3.59Å; Y46-S267 VanDerWaalsContact O-CA 3.31Å; Y46-S267 WeakPolarHBondContact O-CA 3.25Å; S267-I269 PolarHBondContact O-N 2.86Å; S267-I269 VanDerWaalsContact O-N 3.16Å; S267-I269 WeakPolarHBondContact OG-CG1 3.37Å; S267-D270 PolarHBondContact N-OD2 3.12Å; S267-D270 WeakPolarHBondContact O-CB 3.5Å; S267-D270 PolarHBondContact O-N 3.22Å |
| 268 | H | 97.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -49.9 | -36 | 169.5 | -90.8 | 171.8 | 0 | 0 | 0 | 114.6 | Y46 L59 T222 S223 D224 I248 D270 L271 | Y46-H268 PolarHBondContact O-N 3.3Å; L59-H268 HydrophobicContact CB-CB 4.34Å; L59-H268 HydrophobicContact CD1-CB 4.14Å; T222-H268 PolarHBondContact OG1-NE2 2.74Å; S223-H268 PolarHBondContact O-CE1 3.22Å; S223-H268 PolarHBondContact O-NE2 2.8Å; S223-H268 VanDerWaalsContact O-NE2 3.12Å; D224-H268 PolarHBondContact O-CE1 3.05Å; I248-H268 WeakPolarHBondContact CD1-CD2 3.43Å; I248-H268 WeakPolarHBondContact CD1-NE2 3.44Å; H268-D270 PolarHBondContact O-N 3.43Å; H268-D270 VanDerWaalsContact O-N 3.12Å; H268-L271 WeakPolarHBondContact O-CB 3.45Å; H268-L271 PolarHBondContact O-N 2.88Å |
| 269 | I | 97.1 | Very high | 97.5 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -63.8 | -17.1 | 177.8 | 58 | 152.5 | 0 | 0 | 0 | 112.9 | C48 Y64 S267 P273 P288 Y374 | C48-I269 HydrophobicContact CB-CG2 4.03Å; Y64-I269 HydrophobicContact CD2-CD1 4.48Å; Y64-I269 HydrophobicContact CE2-CD1 3.56Å; S267-I269 PolarHBondContact O-N 2.86Å; S267-I269 VanDerWaalsContact O-N 3.16Å; S267-I269 WeakPolarHBondContact OG-CG1 3.37Å; I269-P273 WeakPolarHBondContact O-CD 3.35Å; I269-P288 HydrophobicContact CD1-CG 3.96Å; I269-Y374 WeakPolarHBondContact CD1-OH 3.44Å |
| 270 | D | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -81.2 | -17.8 | 176.6 | -62.3 | -40.3 | 0 | 0 | 0 | 112.6 | S267 H268 P273 T274 G289 E290 I292 R299 | S267-D270 PolarHBondContact N-OD2 3.12Å; S267-D270 WeakPolarHBondContact O-CB 3.5Å; S267-D270 PolarHBondContact O-N 3.22Å; H268-D270 PolarHBondContact O-N 3.43Å; H268-D270 VanDerWaalsContact O-N 3.12Å; D270-P273 WeakPolarHBondContact O-CD 3.36Å; D270-T274 WeakPolarHBondContact O-CB 3.47Å; D270-T274 PolarHBondContact O-N 3.05Å; D270-T274 PolarHBondContact O-OG1 3.33Å; D270-G289 WeakPolarHBondContact OD1-CA 3.38Å; D270-E290 WeakPolarHBondContact CB-O 2.97Å; D270-E290 VanDerWaalsContact O-O 3.13Å; D270-E290 PolarHBondContact OD1-N 2.84Å; D270-I292 HydrophobicContact CB-CG2 3.35Å; D270-R299 IonicContact OD1-NH1 3.29Å; D270-R299 IonicContact OD1-NH2 3.3Å; D270-R299 PolarHBondContact OD1-NH2 3.41Å; D270-R299 IonicContact OD2-CZ 3.88Å; D270-R299 IonicContact OD2-NH1 3.37Å; D270-R299 PolarHBondContact OD2-NH1 2.84Å; D270-R299 IonicContact OD2-NH2 2.72Å; D270-R299 PolarHBondContact OD2-NH2 2.87Å |
| 271 | L | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.7 | -43.7 | -175.7 | -71.2 | 173.6 | 0 | 0 | 0 | 112.6 | F8 L59 I220 L250 I252 H268 T274 M275 I292 | F8-L271 HydrophobicContact CE2-CD1 4.05Å; F8-L271 HydrophobicContact CZ-CD1 3.96Å; L59-L271 HydrophobicContact CD1-CB 4.28Å; L59-L271 HydrophobicContact CD1-CD1 3.53Å; L59-L271 HydrophobicContact CD1-CG 4.47Å; I220-L271 HydrophobicContact CG2-CD2 4.43Å; L250-L271 HydrophobicContact CD1-CD1 4.14Å; L250-L271 HydrophobicContact CD1-CD2 3.75Å; L250-L271 HydrophobicContact CD2-CD2 4.08Å; I252-L271 HydrophobicContact CD1-CD2 4.2Å; H268-L271 WeakPolarHBondContact O-CB 3.45Å; H268-L271 PolarHBondContact O-N 2.88Å; L271-T274 WeakPolarHBondContact O-CB 3.38Å; L271-T274 PolarHBondContact O-N 2.85Å; L271-M275 VanDerWaalsContact O-CG 3.24Å; L271-M275 WeakPolarHBondContact O-CG 3.25Å; L271-M275 PolarHBondContact O-N 2.94Å; L271-I292 HydrophobicContact CD2-CD1 4.09Å |
| 272 | L | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.9 | -52.6 | 177.7 | 171.8 | 63.7 | 0 | 0 | 0 | 112.1 | M84 Y87 F88 T274 M275 M276 L287 | M84-L272 HydrophobicContact CB-CD1 3.95Å; M84-L272 HydrophobicContact CE-CB 4.25Å; M84-L272 HydrophobicContact CE-CD1 4.44Å; M84-L272 HydrophobicContact CG-CD1 3.8Å; Y87-L272 HydrophobicContact CD2-CD1 4.31Å; Y87-L272 HydrophobicContact CD2-CD2 3.71Å; Y87-L272 HydrophobicContact CE2-CD2 3.72Å; F88-L272 HydrophobicContact CD2-CD1 4.46Å; F88-L272 HydrophobicContact CE2-CD1 4.04Å; L272-T274 VanDerWaalsContact C-N 3.27Å; L272-T274 PolarHBondContact O-N 3.2Å; L272-M275 PolarHBondContact O-N 2.9Å; L272-M276 HydrophobicContact CD1-CE 3.83Å; L272-M276 HydrophobicContact CD1-CG 4.25Å; L272-M276 HydrophobicContact CD1-SD 4.24Å; L272-M276 HydrophobicContact CD2-CE 4.36Å; L272-M276 HydrophobicContact CG-CE 4.05Å; L272-M276 HydrophobicContact CG-SD 4.15Å; L272-M276 WeakPolarHBondContact O-CG 3.41Å; L272-M276 PolarHBondContact O-N 3.43Å; L272-L287 HydrophobicContact CD2-CD1 3.81Å; L272-L287 HydrophobicContact CD2-CD2 4.13Å; L272-L287 HydrophobicContact CG-CD1 4.06Å |
| 273 | P | 98.2 | Very high | 97.5 | Very high | 3 Ų | 3 | 31.8 Ų | 31.8 | 2% | 0.019 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -54.9 | -37.4 | 171.7 | -31.5 | 38.4 | 0 | 0 | 0 | 114.8 | I269 D270 A277 K283 L287 | I269-P273 WeakPolarHBondContact O-CD 3.35Å; D270-P273 WeakPolarHBondContact O-CD 3.36Å; P273-A277 WeakPolarHBondContact O-CB 3.16Å; P273-A277 PolarHBondContact O-N 3Å; P273-K283 HydrophobicContact CB-CD 3.73Å; P273-K283 HydrophobicContact CB-CG 4.44Å; P273-K283 HydrophobicContact CG-CD 4.02Å; P273-L287 HydrophobicContact CG-CB 4.34Å; P273-L287 HydrophobicContact CG-CD1 4.41Å |
| 274 | T | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.3 | -48.8 | 177.3 | -61.2 | 0 | 0 | 0 | 0 | 110.9 | D270 L271 L272 M276 A277 L278 E290 N291 I292 L293 | D270-T274 WeakPolarHBondContact O-CB 3.47Å; D270-T274 PolarHBondContact O-N 3.05Å; D270-T274 PolarHBondContact O-OG1 3.33Å; L271-T274 WeakPolarHBondContact O-CB 3.38Å; L271-T274 PolarHBondContact O-N 2.85Å; L272-T274 VanDerWaalsContact C-N 3.27Å; L272-T274 PolarHBondContact O-N 3.2Å; T274-M276 VanDerWaalsContact C-N 3.34Å; T274-M276 PolarHBondContact O-N 3.42Å; T274-A277 PolarHBondContact O-N 3.27Å; T274-L278 HydrophobicContact CG2-CD1 4.37Å; T274-L278 WeakPolarHBondContact O-CG 3.23Å; T274-L278 PolarHBondContact O-N 2.81Å; T274-E290 PolarHBondContact OG1-O 2.93Å; T274-N291 WeakPolarHBondContact OG1-CA 3.29Å; T274-I292 HydrophobicContact CG2-CG1 4Å; T274-I292 PolarHBondContact OG1-N 2.84Å; T274-L293 HydrophobicContact CG2-CD1 4.13Å; T274-L293 HydrophobicContact CG2-CG 3.99Å |
| 275 | M | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.6 | -38.9 | 178 | -63.6 | 165.1 | 63.2 | 0 | 0 | 111.7 | F6 F8 M84 F88 L144 I220 L271 L272 L278 A279 | F6-M275 HydrophobicContact CB-CE 4.07Å; F6-M275 HydrophobicContact CD1-CB 4.32Å; F6-M275 HydrophobicContact CD1-CE 4.07Å; F6-M275 HydrophobicContact CD1-CG 4.13Å; F6-M275 HydrophobicContact CE1-CB 4Å; F6-M275 HydrophobicContact CE1-CG 4.15Å; F6-M275 HydrophobicContact CG-CE 4.05Å; F6-M275 HydrophobicContact CZ-CB 4.39Å; F6-M275 WeakPolarHBondContact CZ-O 3.18Å; F8-M275 HydrophobicContact CD2-CE 4.27Å; F8-M275 HydrophobicContact CD2-SD 3.89Å; F8-M275 HydrophobicContact CE2-SD 4.19Å; M84-M275 HydrophobicContact CE-CE 4.43Å; M84-M275 HydrophobicContact CE-SD 3.9Å; M84-M275 HydrophobicContact SD-CE 3.8Å; M84-M275 HydrophobicContact SD-SD 4.07Å; F88-M275 HydrophobicContact CE2-CB 4.18Å; F88-M275 HydrophobicContact CE2-CE 4.32Å; F88-M275 HydrophobicContact CZ-CB 3.69Å; F88-M275 HydrophobicContact CZ-CE 4.14Å; L144-M275 HydrophobicContact CD1-CE 3.46Å; L144-M275 VanDerWaalsContact CD1-CE 3.46Å; I220-M275 HydrophobicContact CD1-CE 4.35Å; I220-M275 HydrophobicContact CD1-CG 3.57Å; I220-M275 HydrophobicContact CD1-SD 3.74Å; L271-M275 VanDerWaalsContact O-CG 3.24Å; L271-M275 WeakPolarHBondContact O-CG 3.25Å; L271-M275 PolarHBondContact O-N 2.94Å; L272-M275 PolarHBondContact O-N 2.9Å; M275-L278 PolarHBondContact O-N 3.46Å; M275-A279 VanDerWaalsContact O-CB 3.27Å; M275-A279 WeakPolarHBondContact O-CB 3.5Å; M275-A279 PolarHBondContact O-N 3.14Å |
| 276 | M | 98.2 | Very high | 96.7 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.7 | -46.1 | 173.9 | -76.1 | 172.4 | 162.1 | 0 | 0 | 111.9 | Y87 F88 L272 T274 L278 A279 D280 I281 K283 L287 | Y87-M276 HydrophobicContact CD1-CE 3.58Å; Y87-M276 HydrophobicContact CD2-CE 3.83Å; Y87-M276 HydrophobicContact CE1-CE 4.3Å; Y87-M276 HydrophobicContact CG-CE 3.32Å; F88-M276 HydrophobicContact CE2-CG 4.4Å; L272-M276 HydrophobicContact CD1-CE 3.83Å; L272-M276 HydrophobicContact CD1-CG 4.25Å; L272-M276 HydrophobicContact CD1-SD 4.24Å; L272-M276 HydrophobicContact CD2-CE 4.36Å; L272-M276 HydrophobicContact CG-CE 4.05Å; L272-M276 HydrophobicContact CG-SD 4.15Å; L272-M276 WeakPolarHBondContact O-CG 3.41Å; L272-M276 PolarHBondContact O-N 3.43Å; T274-M276 VanDerWaalsContact C-N 3.34Å; T274-M276 PolarHBondContact O-N 3.42Å; M276-L278 VanDerWaalsContact C-N 3.33Å; M276-L278 PolarHBondContact O-N 2.92Å; M276-A279 CarbonylContact O-C 3.24Å; M276-A279 PolarHBondContact O-N 3.36Å; M276-A279 VanDerWaalsContact O-N 3.15Å; M276-D280 PolarHBondContact O-N 2.91Å; M276-D280 VanDerWaalsContact O-N 3.1Å; M276-I281 HydrophobicContact CB-CB 4.03Å; M276-I281 HydrophobicContact CB-CG2 4.41Å; M276-I281 HydrophobicContact CG-CB 4.11Å; M276-I281 HydrophobicContact CG-CG2 4.04Å; M276-I281 PolarHBondContact O-N 2.92Å; M276-K283 HydrophobicContact SD-CG 4.4Å; M276-L287 HydrophobicContact CE-CD1 3.91Å; M276-L287 HydrophobicContact SD-CD1 3.67Å |
| 277 | A | 97.9 | Very high | 96.6 | Very high | 51 Ų | 51 | 35.9 Ų | 35.9 | 42% | 0.421 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62 | -40.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | P273 T274 A279 D280 N291 | P273-A277 WeakPolarHBondContact O-CB 3.16Å; P273-A277 PolarHBondContact O-N 3Å; T274-A277 PolarHBondContact O-N 3.27Å; A277-A279 VanDerWaalsContact C-N 3.31Å; A277-A279 PolarHBondContact O-N 2.79Å; A277-D280 PolarHBondContact O-N 3.47Å; A277-N291 HydrophobicContact CB-CB 4.21Å |
| 278 | L | 97.6 | Very high | 96.3 | Very high | 45 Ų | 45 | 36.5 Ų | 36.5 | 24% | 0.236 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.6 | -33.3 | 175.2 | -69.7 | 172.1 | 0 | 0 | 0 | 112.7 | P4 F6 W218 T274 M275 M276 L293 | P4-L278 WeakPolarHBondContact CG-O 3.48Å; F6-L278 HydrophobicContact CE1-CB 4.07Å; F6-L278 HydrophobicContact CE1-CD1 4.09Å; F6-L278 HydrophobicContact CZ-CB 3.88Å; W218-L278 HydrophobicContact CD2-CD1 3.77Å; W218-L278 HydrophobicContact CE3-CD1 3.85Å; W218-L278 HydrophobicContact CG-CD1 4.31Å; W218-L278 HydrophobicContact CH2-CD1 4.27Å; W218-L278 HydrophobicContact CH2-CD2 3.8Å; W218-L278 HydrophobicContact CZ2-CD1 4.21Å; W218-L278 HydrophobicContact CZ2-CD2 3.51Å; W218-L278 HydrophobicContact CZ2-CG 4.45Å; W218-L278 HydrophobicContact CZ3-CD1 4.1Å; W218-L278 HydrophobicContact CZ3-CD2 4.44Å; T274-L278 HydrophobicContact CG2-CD1 4.37Å; T274-L278 WeakPolarHBondContact O-CG 3.23Å; T274-L278 PolarHBondContact O-N 2.81Å; M275-L278 PolarHBondContact O-N 3.46Å; M276-L278 VanDerWaalsContact C-N 3.33Å; M276-L278 PolarHBondContact O-N 2.92Å; L278-L293 HydrophobicContact CD1-CD1 3.99Å; L278-L293 HydrophobicContact CD2-CD1 3.89Å; L278-L293 HydrophobicContact CG-CD1 4.23Å |
| 279 | A | 97.6 | Very high | 96.3 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 2% | 0.017 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -0.1 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | F6 F88 Y93 M275 M276 A277 I281 | F6-A279 HydrophobicContact CE2-CB 3.83Å; F6-A279 HydrophobicContact CZ-CB 3.98Å; F88-A279 HydrophobicContact CE1-CB 4.09Å; F88-A279 HydrophobicContact CZ-CB 4.41Å; Y93-A279 HydrophobicContact CE2-CB 4.15Å; Y93-A279 WeakPolarHBondContact OH-CB 3.25Å; M275-A279 VanDerWaalsContact O-CB 3.27Å; M275-A279 WeakPolarHBondContact O-CB 3.5Å; M275-A279 PolarHBondContact O-N 3.14Å; M276-A279 CarbonylContact O-C 3.24Å; M276-A279 PolarHBondContact O-N 3.36Å; M276-A279 VanDerWaalsContact O-N 3.15Å; A277-A279 VanDerWaalsContact C-N 3.31Å; A277-A279 PolarHBondContact O-N 2.79Å; A279-I281 VanDerWaalsContact C-N 3.28Å; A279-I281 HydrophobicContact CB-CD1 3.66Å; A279-I281 HydrophobicContact CB-CG1 3.76Å; A279-I281 PolarHBondContact O-N 3.09Å |
| 280 | D | 96.7 | Very high | 96.2 | Very high | 157 Ų | 157 | 39.6 Ų | 39.6 | 84% | 0.84 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 41.9 | -170.7 | -161.1 | 35 | 0 | 0 | 0 | 112.6 | M276 A277 | M276-D280 PolarHBondContact O-N 2.91Å; M276-D280 VanDerWaalsContact O-N 3.1Å; A277-D280 PolarHBondContact O-N 3.47Å |
| 281 | I | 96.9 | Very high | 96.2 | Very high | 23 Ų | 23 | 41.8 Ų | 41.8 | 12% | 0.118 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -99.3 | 128.2 | 174.6 | -60 | 172.4 | 0 | 0 | 0 | 108.2 | F88 A91 Y93 M276 A279 K283 | F88-I281 HydrophobicContact CD1-CD1 4.02Å; F88-I281 HydrophobicContact CD2-CD1 4.49Å; F88-I281 HydrophobicContact CE1-CD1 3.88Å; F88-I281 HydrophobicContact CE2-CD1 4.38Å; F88-I281 HydrophobicContact CG-CD1 4.31Å; F88-I281 HydrophobicContact CZ-CD1 4.05Å; A91-I281 HydrophobicContact CB-CD1 3.51Å; A91-I281 HydrophobicContact CB-CG1 3.69Å; A91-I281 HydrophobicContact CB-CG2 4.34Å; Y93-I281 HydrophobicContact CD2-CD1 4.46Å; Y93-I281 HydrophobicContact CE2-CD1 4.16Å; M276-I281 HydrophobicContact CB-CB 4.03Å; M276-I281 HydrophobicContact CB-CG2 4.41Å; M276-I281 HydrophobicContact CG-CB 4.11Å; M276-I281 HydrophobicContact CG-CG2 4.04Å; M276-I281 PolarHBondContact O-N 2.92Å; A279-I281 VanDerWaalsContact C-N 3.28Å; A279-I281 HydrophobicContact CB-CD1 3.66Å; A279-I281 HydrophobicContact CB-CG1 3.76Å; A279-I281 PolarHBondContact O-N 3.09Å; I281-K283 PolarHBondContact O-N 2.74Å |
| 282 | E | 95.6 | Very high | 96.1 | Very high | 179 Ų | 179 | 42.1 Ų | 42.1 | 84% | 0.836 | 22% | 0.216 | S | C | * | . | P | Polyproline II helix | trans | -62.1 | 125.2 | 175.9 | -173.7 | 176 | -176.8 | 0 | 0 | 110.6 | P284 | E282-P284 VanDerWaalsContact O-CD 3.27Å; E282-P284 WeakPolarHBondContact O-CD 3.47Å |
| 283 | K | 95.6 | Very high | 96 | Very high | 91 Ų | 91 | 44.7 Ų | 44.7 | 40% | 0.396 | 23% | 0.229 | S | C | . | . | P | Polyproline II helix | trans | -76 | 118.7 | 179.9 | -171 | -173.8 | 79.3 | 167.5 | 0 | 110.2 | P273 M276 I281 L287 G289 | P273-K283 HydrophobicContact CB-CD 3.73Å; P273-K283 HydrophobicContact CB-CG 4.44Å; P273-K283 HydrophobicContact CG-CD 4.02Å; M276-K283 HydrophobicContact SD-CG 4.4Å; I281-K283 PolarHBondContact O-N 2.74Å; K283-L287 HydrophobicContact CD-CB 4.41Å; K283-L287 HydrophobicContact CG-CB 4.22Å; K283-L287 HydrophobicContact CG-CD1 4.17Å; K283-G289 PolarHBondContact NZ-O 3.28Å |
| 284 | P | 93.6 | Very high | 95.9 | Very high | 8 Ų | 8 | 48.1 Ų | 48.1 | 5% | 0.052 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 145.1 | 174.2 | -23.2 | 36.4 | 0 | 0 | 0 | 112.3 | Y87 E282 I286 L287 D410 Y412 | Y87-P284 HydrophobicContact CD1-CG 4.15Å; Y87-P284 HydrophobicContact CE1-CG 3.73Å; E282-P284 VanDerWaalsContact O-CD 3.27Å; E282-P284 WeakPolarHBondContact O-CD 3.47Å; P284-I286 HydrophobicContact CB-CG2 4.16Å; P284-I286 PolarHBondContact O-N 2.84Å; P284-L287 PolarHBondContact O-N 2.73Å; P284-L287 VanDerWaalsContact O-N 3.14Å; P284-D410 HydrophobicContact CB-CB 4.07Å; P284-Y412 HydrophobicContact CB-CD2 3.88Å; P284-Y412 HydrophobicContact CB-CE2 4.49Å; P284-Y412 HydrophobicContact CG-CD2 3.46Å; P284-Y412 VanDerWaalsContact CG-CD2 3.46Å; P284-Y412 HydrophobicContact CG-CE2 3.63Å; P284-Y412 HydrophobicContact CG-CG 4.35Å |
| 285 | E | 90.2 | Very high | 95.6 | Very high | 152 Ų | 152 | 49.2 Ų | 49.2 | 71% | 0.71 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -23.3 | -178.2 | -70.9 | -170.9 | 170.8 | 0 | 0 | 113.7 | L287 P408 D410 | E285-L287 PolarHBondContact O-N 2.94Å; E285-P408 HydrophobicContact CB-CB 3.63Å; E285-P408 HydrophobicContact CB-CG 3.67Å; E285-P408 HydrophobicContact CG-CB 4.42Å; E285-P408 WeakPolarHBondContact OE2-CB 3.38Å; E285-D410 HydrophobicContact CB-CB 4.41Å; E285-D410 PolarHBondContact N-OD2 3.23Å |
| 286 | I | 89.8 | Confident | 95.2 | Very high | 32 Ų | 32 | 57.8 Ų | 57.8 | 16% | 0.164 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -22.1 | 177 | -165.3 | 60.8 | 0 | 0 | 0 | 113.3 | I63 P284 P288 P408 D410 S413 | I63-I286 HydrophobicContact CG2-CG1 4.39Å; I63-I286 WeakPolarHBondContact CG2-O 3.28Å; P284-I286 HydrophobicContact CB-CG2 4.16Å; P284-I286 PolarHBondContact O-N 2.84Å; I286-P288 WeakPolarHBondContact O-CD 3.14Å; I286-P408 HydrophobicContact CB-CG 4.22Å; I286-D410 VanDerWaalsContact CB-OD2 3.24Å; I286-D410 WeakPolarHBondContact CB-OD2 3.27Å; I286-D410 VanDerWaalsContact CG2-OD2 3.28Å; I286-D410 WeakPolarHBondContact CG2-OD2 3.49Å; I286-D410 PolarHBondContact N-OD2 2.77Å; I286-S413 WeakPolarHBondContact CB-OG 3.33Å |
| 287 | L | 94.5 | Very high | 94.8 | Very high | 3 Ų | 3 | 63.9 Ų | 63.9 | 2% | 0.016 | 33% | 0.33 | C | S | . | . | trans | -82.8 | 109.2 | -177.4 | -59 | -174.2 | 0 | 0 | 0 | 111 | T61 I63 Y87 L272 P273 M276 K283 P284 E285 G289 | T61-L287 VanDerWaalsContact O-CD2 3.31Å; T61-L287 WeakPolarHBondContact O-CD2 3.25Å; I63-L287 HydrophobicContact CG2-CD2 4.1Å; Y87-L287 HydrophobicContact CE2-CD2 4.5Å; L272-L287 HydrophobicContact CD2-CD1 3.81Å; L272-L287 HydrophobicContact CD2-CD2 4.13Å; L272-L287 HydrophobicContact CG-CD1 4.06Å; P273-L287 HydrophobicContact CG-CB 4.34Å; P273-L287 HydrophobicContact CG-CD1 4.41Å; M276-L287 HydrophobicContact CE-CD1 3.91Å; M276-L287 HydrophobicContact SD-CD1 3.67Å; K283-L287 HydrophobicContact CD-CB 4.41Å; K283-L287 HydrophobicContact CG-CB 4.22Å; K283-L287 HydrophobicContact CG-CD1 4.17Å; P284-L287 PolarHBondContact O-N 2.73Å; P284-L287 VanDerWaalsContact O-N 3.14Å; E285-L287 PolarHBondContact O-N 2.94Å; L287-G289 VanDerWaalsContact C-N 3.3Å; L287-G289 PolarHBondContact O-N 3.03Å | ||
| 288 | P | 93.5 | Very high | 94.6 | Very high | 16 Ų | 16 | 66.9 Ų | 66.9 | 10% | 0.104 | 35% | 0.346 | C | S | . | . | trans | -73.6 | -20.8 | -179 | 31.1 | -38.2 | 0 | 0 | 0 | 113.6 | G62 I269 I286 I378 | G62-P288 WeakPolarHBondContact O-CD 3.08Å; I269-P288 HydrophobicContact CD1-CG 3.96Å; I286-P288 WeakPolarHBondContact O-CD 3.14Å; P288-I378 HydrophobicContact CB-CB 4.44Å; P288-I378 HydrophobicContact CB-CG2 3.66Å; P288-I378 HydrophobicContact CG-CG2 4.32Å | ||
| 289 | G | 96.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 34% | 0.341 | C | S | . | . | trans | -67 | 163.2 | -178 | 0 | 0 | 0 | 0 | 0 | 113.6 | D270 K283 L287 | D270-G289 WeakPolarHBondContact OD1-CA 3.38Å; K283-G289 PolarHBondContact NZ-O 3.28Å; L287-G289 VanDerWaalsContact C-N 3.3Å; L287-G289 PolarHBondContact O-N 3.03Å | ||
| 290 | E | 96.2 | Very high | 94.5 | Very high | 66 Ų | 66 | 66.8 Ų | 66.8 | 31% | 0.308 | 35% | 0.345 | S | S | . | . | trans | -122.5 | 164.7 | -175.2 | -62.7 | -176.6 | 174 | 0 | 0 | 111.5 | D270 T274 I292 K377 | D270-E290 WeakPolarHBondContact CB-O 2.97Å; D270-E290 VanDerWaalsContact O-O 3.13Å; D270-E290 PolarHBondContact OD1-N 2.84Å; T274-E290 PolarHBondContact OG1-O 2.93Å; E290-I292 PolarHBondContact O-N 2.96Å; E290-K377 IonicContact OE1-NZ 2.75Å | ||
| 291 | N | 97.7 | Very high | 94.5 | Very high | 47 Ų | 47 | 59.4 Ų | 59.4 | 25% | 0.251 | 31% | 0.306 | S | S | . | . | trans | -76.5 | 109.6 | 173 | 175.2 | 4.2 | 0 | 0 | 0 | 109.4 | T274 A277 L293 A294 V295 | T274-N291 WeakPolarHBondContact OG1-CA 3.29Å; A277-N291 HydrophobicContact CB-CB 4.21Å; N291-L293 PolarHBondContact O-N 2.92Å; N291-L293 WeakPolarHBondContact OD1-CB 2.95Å; N291-L293 PolarHBondContact OD1-N 2.93Å; N291-A294 CarbonylContact O-C 3.59Å; N291-A294 PolarHBondContact O-N 2.86Å; N291-A294 VanDerWaalsContact O-N 3.1Å; N291-V295 PolarHBondContact O-N 3.06Å; N291-V295 VanDerWaalsContact O-N 3.1Å | ||
| 292 | I | 97.8 | Very high | 94.6 | Very high | 7 Ų | 7 | 58.3 Ų | 58.3 | 4% | 0.036 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -70.9 | -16.4 | -175.2 | 63.4 | -176 | 0 | 0 | 0 | 113.8 | F42 L250 I252 V266 D270 L271 T274 E290 A294 | F42-I292 HydrophobicContact CD1-CD1 4.35Å; F42-I292 HydrophobicContact CE1-CB 4.21Å; F42-I292 HydrophobicContact CE1-CD1 3.71Å; F42-I292 HydrophobicContact CE1-CG1 3.95Å; F42-I292 HydrophobicContact CE2-CD1 4.25Å; F42-I292 HydrophobicContact CZ-CD1 3.64Å; F42-I292 HydrophobicContact CZ-CG1 3.91Å; L250-I292 HydrophobicContact CD2-CD1 3.99Å; I252-I292 HydrophobicContact CD1-CD1 3.9Å; I252-I292 HydrophobicContact CD1-CG1 4.48Å; V266-I292 HydrophobicContact CB-CB 4.49Å; V266-I292 HydrophobicContact CB-CG2 3.85Å; V266-I292 HydrophobicContact CG1-CB 3.83Å; V266-I292 HydrophobicContact CG1-CG2 3.57Å; D270-I292 HydrophobicContact CB-CG2 3.35Å; L271-I292 HydrophobicContact CD2-CD1 4.09Å; T274-I292 HydrophobicContact CG2-CG1 4Å; T274-I292 PolarHBondContact OG1-N 2.84Å; E290-I292 PolarHBondContact O-N 2.96Å; I292-A294 PolarHBondContact O-N 2.84Å |
| 293 | L | 95.8 | Very high | 94.7 | Very high | 54 Ų | 54 | 49.8 Ų | 49.8 | 28% | 0.283 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -78.1 | -11 | 174.3 | -56.6 | 178.9 | 0 | 0 | 0 | 112.5 | I40 F42 W218 T274 L278 N291 | I40-L293 HydrophobicContact CD1-CD2 3.69Å; F42-L293 HydrophobicContact CZ-CD2 4.2Å; W218-L293 HydrophobicContact CH2-CD1 4.1Å; W218-L293 HydrophobicContact CZ3-CD1 4.01Å; T274-L293 HydrophobicContact CG2-CD1 4.13Å; T274-L293 HydrophobicContact CG2-CG 3.99Å; L278-L293 HydrophobicContact CD1-CD1 3.99Å; L278-L293 HydrophobicContact CD2-CD1 3.89Å; L278-L293 HydrophobicContact CG-CD1 4.23Å; N291-L293 PolarHBondContact O-N 2.92Å; N291-L293 WeakPolarHBondContact OD1-CB 2.95Å; N291-L293 PolarHBondContact OD1-N 2.93Å |
| 294 | A | 94.7 | Very high | 94.8 | Very high | 75 Ų | 75 | 45.5 Ų | 45.5 | 62% | 0.62 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -138.6 | 24.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N291 I292 | N291-A294 CarbonylContact O-C 3.59Å; N291-A294 PolarHBondContact O-N 2.86Å; N291-A294 VanDerWaalsContact O-N 3.1Å; I292-A294 PolarHBondContact O-N 2.84Å |
| 295 | V | 92.5 | Very high | 94.8 | Very high | 24 Ų | 24 | 45.3 Ų | 45.3 | 15% | 0.145 | 24% | 0.24 | C | C | . | . | trans | -72.7 | 148.5 | -176.1 | 71.7 | 0 | 0 | 0 | 0 | 111.7 | T264 N291 | T264-V295 HydrophobicContact CG2-CG1 4.37Å; N291-V295 PolarHBondContact O-N 3.06Å; N291-V295 VanDerWaalsContact O-N 3.1Å | ||
| 296 | K | 90.8 | Very high | 94.6 | Very high | 180 Ų | 180 | 38.3 Ų | 38.3 | 78% | 0.783 | 21% | 0.207 | S | C | * | . | trans | -88 | 142.3 | 175.3 | -66.8 | -178.6 | -179.5 | 177.4 | 0 | 111.3 | ||||
| 297 | E | 90.4 | Very high | 94.2 | Very high | 129 Ų | 129 | 37.6 Ų | 37.6 | 60% | 0.603 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -111.8 | 150 | 177 | -66.1 | 172.7 | -130.3 | 0 | 0 | 111 | T264 | T264-E297 HydrophobicContact CG2-CG 3.66Å; T264-E297 WeakPolarHBondContact OG1-CG 2.94Å; T264-E297 PolarHBondContact OG1-OE1 2.8Å; T264-E297 VanDerWaalsContact OG1-OE1 3.09Å; T264-E297 PolarHBondContact OG1-OE2 3.47Å |
| 298 | P | 92.1 | Very high | 93.4 | Very high | 114 Ų | 114 | 41.2 Ų | 41.2 | 74% | 0.74 | 22% | 0.216 | S | C | * | . | S | Bend | cis | -76.4 | 156.8 | -7.5 | 33 | -35.2 | 0 | 0 | 0 | 111.8 | ||
| 299 | R | 95.8 | Very high | 92.6 | Very high | 36 Ų | 36 | 45.1 Ų | 45.1 | 14% | 0.136 | 23% | 0.233 | C | C | . | . | trans | -141.4 | 171.1 | 173.8 | 75.4 | -179.2 | -68.1 | -150.6 | 3.3 | 111.9 | T264 P265 D270 | T264-R299 HydrophobicContact CG2-CG 3.95Å; P265-R299 WeakPolarHBondContact O-CD 3.43Å; D270-R299 IonicContact OD1-NH1 3.29Å; D270-R299 IonicContact OD1-NH2 3.3Å; D270-R299 PolarHBondContact OD1-NH2 3.41Å; D270-R299 IonicContact OD2-CZ 3.88Å; D270-R299 IonicContact OD2-NH1 3.37Å; D270-R299 PolarHBondContact OD2-NH1 2.84Å; D270-R299 IonicContact OD2-NH2 2.72Å; D270-R299 PolarHBondContact OD2-NH2 2.87Å | ||
| 300 | G | 97.6 | Very high | 91.3 | Very high | 10 Ų | 10 | 48 Ų | 48 | 10% | 0.103 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 162.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 112 | W324 V325 | G300-W324 WeakPolarHBondContact O-CH2 3.04Å; G300-V325 CarbonylContact C-O 3.57Å; G300-V325 WeakPolarHBondContact CA-O 3.41Å |
| 301 | V | 98.3 | Very high | 89.8 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.012 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 148.2 | 176.7 | -63.6 | 0 | 0 | 0 | 0 | 110.4 | Y46 P265 V325 | Y46-V301 HydrophobicContact CD2-CG2 3.8Å; Y46-V301 HydrophobicContact CG-CG2 4.21Å; P265-V301 HydrophobicContact CB-CG1 4.26Å; P265-V301 HydrophobicContact CB-CG2 3.87Å; V301-V325 HydrophobicContact CG2-CB 4.14Å; V301-V325 PolarHBondContact N-O 2.95Å; V301-V325 PolarHBondContact O-N 3.46Å |
| 302 | M | 98.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 135.2 | -179.7 | -170.7 | -178.1 | 79.1 | 0 | 0 | 111.1 | Y64 E304 R322 C323 W324 L371 Y374 M375 I378 | Y64-M302 HydrophobicContact CD1-CE 3.75Å; Y64-M302 HydrophobicContact CD2-CE 3.9Å; Y64-M302 HydrophobicContact CE1-CB 4.45Å; Y64-M302 HydrophobicContact CE1-CE 3.57Å; Y64-M302 WeakPolarHBondContact CE1-O 3.48Å; Y64-M302 HydrophobicContact CE2-CE 3.72Å; Y64-M302 HydrophobicContact CG-CE 3.9Å; Y64-M302 WeakPolarHBondContact OH-CB 3.49Å; Y64-M302 PolarHBondContact OH-O 2.87Å; M302-E304 HydrophobicContact CE-CB 4.45Å; M302-R322 VanDerWaalsContact SD-CD 3.59Å; M302-C323 CarbonylContact C-O 2.74Å; M302-C323 VanDerWaalsContact CA-O 3.22Å; M302-C323 WeakPolarHBondContact CA-O 3.45Å; M302-C323 WeakPolarHBondContact CG-O 3.48Å; M302-W324 HydrophobicContact CB-CE3 3.84Å; M302-W324 HydrophobicContact CB-CZ3 3.86Å; M302-L371 HydrophobicContact CG-CD1 3.95Å; M302-L371 HydrophobicContact SD-CD1 3.9Å; M302-Y374 HydrophobicContact CB-CD1 3.89Å; M302-Y374 HydrophobicContact CB-CE1 3.78Å; M302-Y374 HydrophobicContact CE-CE1 4.36Å; M302-Y374 HydrophobicContact SD-CD1 4.01Å; M302-Y374 HydrophobicContact SD-CE1 4.3Å; M302-M375 HydrophobicContact SD-CG 4.11Å; M302-I378 HydrophobicContact CE-CD1 3.4Å; M302-I378 VanDerWaalsContact CE-CD1 3.4Å; M302-I378 HydrophobicContact SD-CD1 4.23Å |
| 303 | V | 98.2 | Very high | 86.2 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 134.2 | 163.3 | -171 | 0 | 0 | 0 | 0 | 107.8 | Y46 T47 M241 T246 C323 | Y46-V303 HydrophobicContact CD1-CG2 4.06Å; Y46-V303 HydrophobicContact CG-CG2 4.34Å; T47-V303 HydrophobicContact CG2-CG1 4.32Å; T47-V303 WeakPolarHBondContact O-CG2 3.4Å; M241-V303 HydrophobicContact SD-CB 4.26Å; M241-V303 HydrophobicContact SD-CG1 3.94Å; T246-V303 HydrophobicContact CG2-CG1 3.94Å; V303-C323 HydrophobicContact CB-CB 4.1Å; V303-C323 PolarHBondContact N-O 3.38Å; V303-C323 PolarHBondContact O-N 3.16Å |
| 304 | E | 96.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 156 | 179.1 | 71.5 | 167.1 | -178.4 | 0 | 0 | 113.7 | C48 S49 P50 Y64 A65 N66 M302 N306 R322 | C48-E304 WeakPolarHBondContact O-CG 3.1Å; C48-E304 PolarHBondContact O-N 2.57Å; S49-E304 VanDerWaalsContact CA-O 3.25Å; S49-E304 WeakPolarHBondContact CA-O 3.5Å; S49-E304 WeakPolarHBondContact CB-O 3.43Å; S49-E304 PolarHBondContact OG-O 3.39Å; P50-E304 WeakPolarHBondContact CD-O 2.88Å; Y64-E304 WeakPolarHBondContact CB-OE1 3.15Å; Y64-E304 HydrophobicContact CD1-CG 3.92Å; A65-E304 WeakPolarHBondContact CA-OE1 3.24Å; A65-E304 WeakPolarHBondContact CB-OE1 3.39Å; A65-E304 PolarHBondContact N-OE1 2.61Å; N66-E304 VanDerWaalsContact CB-OE2 3.29Å; N66-E304 WeakPolarHBondContact CB-OE2 3.18Å; N66-E304 PolarHBondContact N-OE1 3.2Å; N66-E304 PolarHBondContact ND2-OE2 3.2Å; M302-E304 HydrophobicContact CE-CB 4.45Å; E304-N306 PolarHBondContact OE2-ND2 3.34Å; E304-R322 IonicContact OE2-CZ 3.91Å; E304-R322 IonicContact OE2-NE 2.73Å; E304-R322 IonicContact OE2-NH1 2.89Å; E304-R322 IonicContact OE2-NH2 3.39Å; E304-R322 PolarHBondContact OE2-NH2 3.44Å |
| 305 | F | 93.9 | Very high | 83.7 | Confident | 5 Ų | 5 | 57.2 Ų | 57.2 | 2% | 0.022 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 123 | 166 | -174.5 | -83.1 | 0 | 0 | 0 | 108.8 | P50 V51 G238 A239 M241 R307 I319 V321 | P50-F305 HydrophobicContact CG-CD2 4.14Å; V51-F305 HydrophobicContact CG2-CD2 3.88Å; V51-F305 HydrophobicContact CG2-CE2 3.5Å; V51-F305 VanDerWaalsContact CG2-CE2 3.5Å; G238-F305 WeakPolarHBondContact O-CD2 3.41Å; G238-F305 VanDerWaalsContact O-CE2 3.25Å; G238-F305 WeakPolarHBondContact O-CE2 3.45Å; A239-F305 HydrophobicContact CB-CD1 3.68Å; A239-F305 HydrophobicContact CB-CE1 3.34Å; A239-F305 HydrophobicContact CB-CE2 4.41Å; A239-F305 HydrophobicContact CB-CG 4.37Å; A239-F305 HydrophobicContact CB-CZ 3.73Å; M241-F305 HydrophobicContact CE-CB 3.3Å; M241-F305 HydrophobicContact CE-CG 4.16Å; F305-R307 HydrophobicContact CD1-CB 4.14Å; F305-R307 HydrophobicContact CE1-CB 3.42Å; F305-R307 VanDerWaalsContact CE1-CB 3.42Å; F305-R307 HydrophobicContact CE2-CB 3.89Å; F305-R307 HydrophobicContact CZ-CB 3.29Å; F305-R307 HydrophobicContact CZ-CG 4.11Å; F305-I319 HydrophobicContact CD1-CB 4.45Å; F305-I319 VanDerWaalsContact CD1-O 3.25Å; F305-I319 WeakPolarHBondContact CD1-O 3.31Å; F305-I319 HydrophobicContact CE1-CB 4.16Å; F305-V321 HydrophobicContact CB-CB 4.14Å; F305-V321 PolarHBondContact N-O 2.91Å; F305-V321 PolarHBondContact O-N 2.78Å |
| 306 | N | 86.9 | Confident | 82.8 | Confident | 5 Ų | 5 | 58.7 Ų | 58.7 | 3% | 0.027 | 31% | 0.306 | C | S | . | . | trans | -136.6 | 29.4 | -179.3 | -52.8 | -78.5 | 0 | 0 | 0 | 111 | E304 F318 R322 F382 | E304-N306 PolarHBondContact OE2-ND2 3.34Å; N306-F318 HydrophobicContact CB-CE2 4.43Å; N306-R322 PolarHBondContact ND2-NH1 3.22Å; N306-R322 PolarHBondContact ND2-NH2 2.76Å; N306-R322 PolarHBondContact OD1-NH1 3.45Å; N306-R322 PolarHBondContact OD1-NH2 3.36Å; N306-R322 VanDerWaalsContact OD1-NH2 3.09Å; N306-F382 HydrophobicContact CB-CE2 3.88Å; N306-F382 HydrophobicContact CB-CZ 4.12Å; N306-F382 WeakPolarHBondContact OD1-CD2 3.3Å; N306-F382 WeakPolarHBondContact OD1-CE2 3.42Å | ||
| 307 | R | 80.9 | Confident | 82.5 | Confident | 17 Ų | 17 | 51.4 Ų | 51.4 | 6% | 0.064 | 28% | 0.282 | C | S | . | . | trans | -67.7 | 142.4 | -175 | -160.7 | -178.2 | -172.8 | -167.1 | -9.3 | 110.1 | W71 T72 F305 D313 F318 I319 | W71-R307 WeakPolarHBondContact O-CA 3.02Å; T72-R307 WeakPolarHBondContact OG1-CG 3.49Å; F305-R307 HydrophobicContact CD1-CB 4.14Å; F305-R307 HydrophobicContact CE1-CB 3.42Å; F305-R307 VanDerWaalsContact CE1-CB 3.42Å; F305-R307 HydrophobicContact CE2-CB 3.89Å; F305-R307 HydrophobicContact CZ-CB 3.29Å; F305-R307 HydrophobicContact CZ-CG 4.11Å; R307-D313 WeakPolarHBondContact CD-OD2 3.4Å; R307-D313 WeakPolarHBondContact CG-OD2 3.46Å; R307-D313 IonicContact CZ-OD1 3.33Å; R307-D313 IonicContact CZ-OD2 2.68Å; R307-D313 VanDerWaalsContact CZ-OD2 3.3Å; R307-D313 IonicContact NE-OD1 3.08Å; R307-D313 PolarHBondContact NE-OD1 3.09Å; R307-D313 IonicContact NE-OD2 3.38Å; R307-D313 PolarHBondContact NE-OD2 3.17Å; R307-D313 IonicContact NH1-OD1 2.69Å; R307-D313 PolarHBondContact NH1-OD1 3.18Å; R307-D313 IonicContact NH2-OD1 3.03Å; R307-D313 PolarHBondContact NH2-OD1 3.12Å; R307-D313 IonicContact NH2-OD2 3.13Å; R307-D313 PolarHBondContact NH2-OD2 2.84Å; R307-F318 VanDerWaalsContact O-CA 3.25Å; R307-F318 WeakPolarHBondContact O-CA 3.19Å; R307-I319 PolarHBondContact O-N 2.9Å; R307-I319 VanDerWaalsContact O-N 3.17Å | ||
| 308 | Y | 78 | Confident | 82.5 | Confident | 78 Ų | 78 | 49 Ų | 49 | 31% | 0.306 | 27% | 0.27 | S | S | . | . | trans | -140.5 | 158.1 | 170.4 | 62.2 | -84.8 | 0 | 0 | 0 | 109.1 | W71 I310 G317 | W71-Y308 HydrophobicContact CB-CD1 4.45Å; W71-Y308 HydrophobicContact CB-CE1 3.98Å; W71-Y308 HydrophobicContact CD2-CE1 4.38Å; W71-Y308 HydrophobicContact CE3-CD1 4.26Å; W71-Y308 AromaticContact CE3-CE1 3.72Å; W71-Y308 HydrophobicContact CE3-CE1 3.72Å; Y308-I310 HydrophobicContact CD2-CD1 4.2Å; Y308-I310 HydrophobicContact CD2-CG1 4.02Å; Y308-I310 HydrophobicContact CE2-CD1 3.31Å; Y308-I310 HydrophobicContact CE2-CG1 3.56Å; Y308-I310 PolarHBondContact O-N 3.07Å; Y308-G317 WeakPolarHBondContact CA-O 3.49Å | ||
| 309 | E | 75.4 | Confident | 82.4 | Confident | 99 Ų | 99 | 44.7 Ų | 44.7 | 46% | 0.463 | 24% | 0.24 | S | C | . | . | trans | -73.8 | 120.2 | -172 | -48.9 | -169.5 | 157 | 0 | 0 | 112.1 | D313 G316 G317 | E309-D313 HydrophobicContact CB-CB 4.47Å; E309-D313 VanDerWaalsContact CB-O 3.27Å; E309-D313 WeakPolarHBondContact CB-O 3.41Å; E309-D313 WeakPolarHBondContact CG-O 3.38Å; E309-G316 WeakPolarHBondContact OE1-CA 3.47Å; E309-G316 PolarHBondContact OE1-N 3.12Å; E309-G317 VanDerWaalsContact CD-N 3.33Å; E309-G317 VanDerWaalsContact CG-N 3.3Å; E309-G317 PolarHBondContact OE1-N 3Å | ||
| 310 | I | 70.9 | Confident | 82.3 | Confident | 59 Ų | 59 | 43.1 Ų | 43.1 | 30% | 0.303 | 24% | 0.235 | S | C | . | . | trans | -129.8 | 136.5 | 162 | -66.8 | 169.9 | 0 | 0 | 0 | 106.6 | T72 V75 Y308 H312 D313 | T72-I310 HydrophobicContact CG2-CB 4.31Å; T72-I310 HydrophobicContact CG2-CD1 3.91Å; T72-I310 HydrophobicContact CG2-CG1 4.32Å; V75-I310 HydrophobicContact CG2-CD1 4.03Å; Y308-I310 HydrophobicContact CD2-CD1 4.2Å; Y308-I310 HydrophobicContact CD2-CG1 4.02Å; Y308-I310 HydrophobicContact CE2-CD1 3.31Å; Y308-I310 HydrophobicContact CE2-CG1 3.56Å; Y308-I310 PolarHBondContact O-N 3.07Å; I310-H312 PolarHBondContact O-N 3.35Å; I310-D313 WeakPolarHBondContact O-CB 3.38Å; I310-D313 PolarHBondContact O-N 2.93Å | ||
| 311 | E | 64.6 | Low | 82.2 | Confident | 124 Ų | 124 | 42.7 Ų | 42.7 | 58% | 0.579 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | -97.5 | 176.8 | -65.7 | 166.6 | -179.4 | 0 | 0 | 114.5 | N74 | N74-E311 PolarHBondContact ND2-OE2 3.02Š|
| 312 | H | 56.2 | Low | 82.2 | Confident | 135 Ų | 135 | 42.6 Ų | 42.6 | 63% | 0.625 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | 11.3 | -169.7 | -76.3 | -68.7 | 0 | 0 | 0 | 113.9 | I310 S314 | I310-H312 PolarHBondContact O-N 3.35Å; H312-S314 PolarHBondContact O-N 3.37Å; H312-S314 VanDerWaalsContact O-N 3.16Å |
| 313 | D | 63.3 | Low | 82.2 | Confident | 7 Ų | 7 | 42.6 Ų | 42.6 | 4% | 0.037 | 23% | 0.23 | C | C | . | . | trans | -89.5 | 72.7 | -175.5 | -168.9 | 3.8 | 0 | 0 | 0 | 111.7 | T72 R307 E309 I310 F315 | T72-D313 PolarHBondContact OG1-OD2 3.32Å; R307-D313 WeakPolarHBondContact CD-OD2 3.4Å; R307-D313 WeakPolarHBondContact CG-OD2 3.46Å; R307-D313 IonicContact CZ-OD1 3.33Å; R307-D313 IonicContact CZ-OD2 2.68Å; R307-D313 VanDerWaalsContact CZ-OD2 3.3Å; R307-D313 IonicContact NE-OD1 3.08Å; R307-D313 PolarHBondContact NE-OD1 3.09Å; R307-D313 IonicContact NE-OD2 3.38Å; R307-D313 PolarHBondContact NE-OD2 3.17Å; R307-D313 IonicContact NH1-OD1 2.69Å; R307-D313 PolarHBondContact NH1-OD1 3.18Å; R307-D313 IonicContact NH2-OD1 3.03Å; R307-D313 PolarHBondContact NH2-OD1 3.12Å; R307-D313 IonicContact NH2-OD2 3.13Å; R307-D313 PolarHBondContact NH2-OD2 2.84Å; E309-D313 HydrophobicContact CB-CB 4.47Å; E309-D313 VanDerWaalsContact CB-O 3.27Å; E309-D313 WeakPolarHBondContact CB-O 3.41Å; E309-D313 WeakPolarHBondContact CG-O 3.38Å; I310-D313 WeakPolarHBondContact O-CB 3.38Å; I310-D313 PolarHBondContact O-N 2.93Å; D313-F315 PolarHBondContact O-N 2.94Å; D313-F315 VanDerWaalsContact O-N 3.09Å | ||
| 314 | S | 67.6 | Low | 82.2 | Confident | 106 Ų | 106 | 43.4 Ų | 43.4 | 74% | 0.741 | 23% | 0.232 | S | C | * | . | trans | -81.4 | 33.9 | 179.9 | -53.4 | 0 | 0 | 0 | 0 | 113.8 | H312 | H312-S314 PolarHBondContact O-N 3.37Å; H312-S314 VanDerWaalsContact O-N 3.16Å | ||
| 315 | F | 69.5 | Low | 82.3 | Confident | 72 Ų | 72 | 43.4 Ų | 43.4 | 32% | 0.316 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -96.9 | 16.5 | -172.8 | -80.6 | -91.4 | 0 | 0 | 0 | 114.7 | W172 D313 | W172-F315 HydrophobicContact CZ2-CE1 4.23Å; W172-F315 AromaticContact NE1-CE1 3.94Å; D313-F315 PolarHBondContact O-N 2.94Å; D313-F315 VanDerWaalsContact O-N 3.09Å |
| 316 | G | 74.5 | Confident | 82.5 | Confident | 54 Ų | 54 | 44.5 Ų | 44.5 | 56% | 0.557 | 24% | 0.24 | S | C | * | . | trans | 100.6 | 37.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | E309 | E309-G316 WeakPolarHBondContact OE1-CA 3.47Å; E309-G316 PolarHBondContact OE1-N 3.12Å | ||
| 317 | G | 84.7 | Confident | 82.9 | Confident | 28 Ų | 28 | 46.7 Ų | 46.7 | 29% | 0.289 | 25% | 0.251 | S | S | . | . | S | Bend | trans | 81.3 | -159.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y308 E309 | Y308-G317 WeakPolarHBondContact CA-O 3.49Å; E309-G317 VanDerWaalsContact CD-N 3.33Å; E309-G317 VanDerWaalsContact CG-N 3.3Å; E309-G317 PolarHBondContact OE1-N 3Å |
| 318 | F | 89.6 | Confident | 83.7 | Confident | 79 Ų | 79 | 48.2 Ų | 48.2 | 35% | 0.346 | 26% | 0.261 | S | S | . | . | trans | -75.3 | 128.4 | 171.7 | 178.3 | -124.9 | 0 | 0 | 0 | 110.4 | N306 R307 P320 F336 F382 | N306-F318 HydrophobicContact CB-CE2 4.43Å; R307-F318 VanDerWaalsContact O-CA 3.25Å; R307-F318 WeakPolarHBondContact O-CA 3.19Å; F318-P320 HydrophobicContact CE1-CB 4.2Å; F318-P320 HydrophobicContact CE1-CG 3.93Å; F318-P320 HydrophobicContact CE2-CB 4.38Å; F318-P320 HydrophobicContact CZ-CB 3.79Å; F318-P320 HydrophobicContact CZ-CG 4.05Å; F318-F336 AromaticContact CD1-CE2 3.84Å; F318-F336 HydrophobicContact CD1-CE2 3.84Å; F318-F336 AromaticContact CD1-CZ 3.86Å; F318-F336 HydrophobicContact CD1-CZ 3.86Å; F318-F336 HydrophobicContact CE1-CE2 4.36Å; F318-F336 HydrophobicContact CE1-CZ 4.09Å; F318-F336 WeakPolarHBondContact O-CE2 3.36Å; F318-F382 HydrophobicContact CE2-CE1 4.22Å; F318-F382 HydrophobicContact CE2-CZ 4.38Å; F318-F382 HydrophobicContact CZ-CD1 4.34Å; F318-F382 AromaticContact CZ-CE1 3.78Å; F318-F382 HydrophobicContact CZ-CE1 3.78Å; F318-F382 HydrophobicContact CZ-CZ 4.38Å | ||
| 319 | I | 90.4 | Very high | 84.7 | Confident | 22 Ų | 22 | 45.9 Ų | 45.9 | 11% | 0.113 | 25% | 0.252 | C | S | . | . | trans | -136.7 | 111.2 | 171.9 | -51.6 | 174.5 | 0 | 0 | 0 | 109 | A239 F305 R307 V321 | A239-I319 HydrophobicContact CB-CB 3.99Å; A239-I319 HydrophobicContact CB-CD1 3.72Å; A239-I319 HydrophobicContact CB-CG1 4.45Å; A239-I319 HydrophobicContact CB-CG2 3.82Å; F305-I319 HydrophobicContact CD1-CB 4.45Å; F305-I319 VanDerWaalsContact CD1-O 3.25Å; F305-I319 WeakPolarHBondContact CD1-O 3.31Å; F305-I319 HydrophobicContact CE1-CB 4.16Å; R307-I319 PolarHBondContact O-N 2.9Å; R307-I319 VanDerWaalsContact O-N 3.17Å; I319-V321 HydrophobicContact CG2-CG2 3.93Å | ||
| 320 | P | 92.7 | Very high | 85.8 | Confident | 4 Ų | 4 | 41.1 Ų | 41.1 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | trans | -90.6 | 117.1 | 178.4 | 32.4 | -32.3 | 0 | 0 | 0 | 111.8 | F318 L335 F336 W387 | F318-P320 HydrophobicContact CE1-CB 4.2Å; F318-P320 HydrophobicContact CE1-CG 3.93Å; F318-P320 HydrophobicContact CE2-CB 4.38Å; F318-P320 HydrophobicContact CZ-CB 3.79Å; F318-P320 HydrophobicContact CZ-CG 4.05Å; P320-L335 HydrophobicContact CB-CD1 4.41Å; P320-L335 HydrophobicContact CG-CB 3.93Å; P320-L335 HydrophobicContact CG-CD1 4.09Å; P320-L335 HydrophobicContact CG-CG 4.2Å; P320-L335 PolarHBondContact O-N 3.03Å; P320-F336 VanDerWaalsContact CD-CD2 3.47Å; P320-F336 HydrophobicContact CG-CD2 4.38Å; P320-F336 HydrophobicContact CG-CE1 4.28Å; P320-F336 HydrophobicContact CG-CE2 4.06Å; P320-F336 HydrophobicContact CG-CZ 4Å; P320-W387 HydrophobicContact CB-CH2 4.31Å; P320-W387 HydrophobicContact CB-CZ2 4.29Å | ||
| 321 | V | 96 | Very high | 87.1 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 141.1 | 178.9 | -171.9 | 0 | 0 | 0 | 0 | 110.8 | M241 F305 I319 V332 L333 N334 | M241-V321 HydrophobicContact CE-CB 3.88Å; M241-V321 HydrophobicContact CE-CG1 3.7Å; M241-V321 HydrophobicContact CG-CG1 3.8Å; M241-V321 HydrophobicContact SD-CG1 4.39Å; F305-V321 HydrophobicContact CB-CB 4.14Å; F305-V321 PolarHBondContact N-O 2.91Å; F305-V321 PolarHBondContact O-N 2.78Å; I319-V321 HydrophobicContact CG2-CG2 3.93Å; V321-V332 HydrophobicContact CG1-CG1 3.49Å; V321-V332 VanDerWaalsContact CG1-CG1 3.49Å; V321-L333 VanDerWaalsContact CA-O 3.29Å; V321-L333 WeakPolarHBondContact CA-O 3.4Å; V321-L333 WeakPolarHBondContact CG1-O 3.08Å; V321-N334 HydrophobicContact CG2-CB 4.38Å |
| 322 | R | 97.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 129.4 | 167.3 | -68.2 | -67.4 | 179.2 | -76.9 | -3.3 | 109.5 | N66 M302 E304 N306 L333 L371 M375 D380 W387 | N66-R322 PolarHBondContact ND2-NH2 2.91Å; M302-R322 VanDerWaalsContact SD-CD 3.59Å; E304-R322 IonicContact OE2-CZ 3.91Å; E304-R322 IonicContact OE2-NE 2.73Å; E304-R322 IonicContact OE2-NH1 2.89Å; E304-R322 IonicContact OE2-NH2 3.39Å; E304-R322 PolarHBondContact OE2-NH2 3.44Å; N306-R322 PolarHBondContact ND2-NH1 3.22Å; N306-R322 PolarHBondContact ND2-NH2 2.76Å; N306-R322 PolarHBondContact OD1-NH1 3.45Å; N306-R322 PolarHBondContact OD1-NH2 3.36Å; N306-R322 VanDerWaalsContact OD1-NH2 3.09Å; R322-L333 PolarHBondContact N-O 3.16Å; R322-L333 PolarHBondContact O-N 3.13Å; R322-L371 HydrophobicContact CB-CD1 4.2Å; R322-L371 HydrophobicContact CB-CD2 3.97Å; R322-M375 HydrophobicContact CG-CE 4.16Å; R322-M375 HydrophobicContact CG-SD 4.13Å; R322-D380 IonicContact CZ-OD2 3.75Å; R322-D380 VanDerWaalsContact CZ-OD2 3.25Å; R322-D380 IonicContact NE-OD2 2.72Å; R322-D380 PolarHBondContact NE-OD2 2.53Å; R322-D380 IonicContact NH2-OD1 3.54Å; R322-D380 PolarHBondContact NH2-OD1 2.96Å; R322-D380 VanDerWaalsContact NH2-OD1 3.14Å; R322-D380 IonicContact NH2-OD2 2.81Å; R322-D380 PolarHBondContact NH2-OD2 3.19Å; R322-W387 HydrophobicContact CB-CE3 4.3Å; R322-W387 HydrophobicContact CB-CH2 4.12Å; R322-W387 HydrophobicContact CB-CZ3 3.65Å; R322-W387 HydrophobicContact CG-CE3 4.11Å; R322-W387 HydrophobicContact CG-CH2 3.48Å; R322-W387 VanDerWaalsContact CG-CH2 3.48Å; R322-W387 HydrophobicContact CG-CZ2 4.11Å; R322-W387 HydrophobicContact CG-CZ3 3.47Å; R322-W387 VanDerWaalsContact CG-CZ3 3.47Å |
| 323 | C | 98.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 135.1 | 175.2 | 171.4 | 0 | 0 | 0 | 0 | 109.3 | M241 M302 V303 K330 L331 V332 | M241-C323 HydrophobicContact CB-CB 3.92Å; M241-C323 HydrophobicContact CG-CB 3.69Å; M241-C323 HydrophobicContact SD-CB 3.81Å; M302-C323 CarbonylContact C-O 2.74Å; M302-C323 VanDerWaalsContact CA-O 3.22Å; M302-C323 WeakPolarHBondContact CA-O 3.45Å; M302-C323 WeakPolarHBondContact CG-O 3.48Å; V303-C323 HydrophobicContact CB-CB 4.1Å; V303-C323 PolarHBondContact N-O 3.38Å; V303-C323 PolarHBondContact O-N 3.16Å; C323-K330 WeakPolarHBondContact SG-CG 3.37Å; C323-L331 CarbonylContact C-O 3.31Å; C323-L331 VanDerWaalsContact CA-O 3.25Å; C323-L331 WeakPolarHBondContact CA-O 3.48Å; C323-V332 HydrophobicContact CB-CG2 4.31Å |
| 324 | W | 98.6 | Very high | 92.3 | Very high | 16 Ų | 16 | 25.8 Ų | 25.8 | 6% | 0.061 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 118.2 | 174.1 | -169 | -109.8 | 0 | 0 | 0 | 109.4 | G300 M302 K330 L331 M367 A370 L371 Y374 | G300-W324 WeakPolarHBondContact O-CH2 3.04Å; M302-W324 HydrophobicContact CB-CE3 3.84Å; M302-W324 HydrophobicContact CB-CZ3 3.86Å; W324-K330 WeakPolarHBondContact O-CA 3.33Å; W324-L331 PolarHBondContact N-O 2.87Å; W324-L331 PolarHBondContact O-N 3.26Å; W324-M367 VanDerWaalsContact O-CE 3.27Å; W324-M367 WeakPolarHBondContact O-CE 3.33Å; W324-A370 HydrophobicContact CZ2-CB 4.37Å; W324-L371 HydrophobicContact CB-CB 3.94Å; W324-L371 HydrophobicContact CB-CD1 4.18Å; W324-L371 HydrophobicContact CB-CD2 4.26Å; W324-L371 HydrophobicContact CB-CG 4.33Å; W324-L371 HydrophobicContact CD2-CB 4.31Å; W324-L371 HydrophobicContact CD2-CD1 4.47Å; W324-L371 HydrophobicContact CE3-CD1 3.95Å; W324-L371 HydrophobicContact CG-CB 4.06Å; W324-Y374 HydrophobicContact CE3-CD1 4.46Å; W324-Y374 HydrophobicContact CH2-CD1 4.14Å; W324-Y374 AromaticContact CH2-CD2 3.81Å; W324-Y374 HydrophobicContact CH2-CD2 3.81Å; W324-Y374 HydrophobicContact CH2-CE2 4.49Å; W324-Y374 AromaticContact CH2-CG 3.6Å; W324-Y374 HydrophobicContact CH2-CG 3.6Å; W324-Y374 AromaticContact CZ3-CD1 3.52Å; W324-Y374 HydrophobicContact CZ3-CD1 3.52Å; W324-Y374 HydrophobicContact CZ3-CD2 4.05Å; W324-Y374 HydrophobicContact CZ3-CE1 4.15Å; W324-Y374 AromaticContact CZ3-CG 3.45Å; W324-Y374 HydrophobicContact CZ3-CG 3.45Å; W324-Y374 VanDerWaalsContact CZ3-CG 3.45Å |
| 325 | V | 98.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 126.2 | -178.2 | -166.8 | 0 | 0 | 0 | 0 | 109.8 | Y46 G300 V301 K330 | Y46-V325 HydrophobicContact CD1-CG2 4.18Å; Y46-V325 HydrophobicContact CD2-CB 4.4Å; Y46-V325 HydrophobicContact CD2-CG1 4.35Å; Y46-V325 HydrophobicContact CD2-CG2 4.43Å; Y46-V325 HydrophobicContact CE1-CG1 4.38Å; Y46-V325 HydrophobicContact CE1-CG2 3.99Å; Y46-V325 HydrophobicContact CE2-CB 4.06Å; Y46-V325 HydrophobicContact CE2-CG1 3.54Å; Y46-V325 HydrophobicContact CE2-CG2 4.23Å; Y46-V325 HydrophobicContact CG-CG2 4.42Å; G300-V325 CarbonylContact C-O 3.57Å; G300-V325 WeakPolarHBondContact CA-O 3.41Å; V301-V325 HydrophobicContact CG2-CB 4.14Å; V301-V325 PolarHBondContact N-O 2.95Å; V301-V325 PolarHBondContact O-N 3.46Å; V325-K330 HydrophobicContact CG2-CD 4.44Å; V325-K330 HydrophobicContact CG2-CG 4.13Å |
| 326 | T | 98 | Very high | 94.7 | Very high | 29 Ų | 29 | 25.6 Ų | 25.6 | 18% | 0.178 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 174.5 | 167.5 | 64.4 | 0 | 0 | 0 | 0 | 109.3 | D328 F329 R344 M367 | T326-D328 PolarHBondContact O-N 3.28Å; T326-D328 VanDerWaalsContact O-N 3.08Å; T326-F329 PolarHBondContact N-O 3.21Å; T326-F329 PolarHBondContact OG1-N 2.91Å; T326-F329 PolarHBondContact OG1-O 2.89Å; T326-R344 WeakPolarHBondContact O-CD 2.89Å; T326-R344 PolarHBondContact O-NH1 3.29Å; T326-M367 HydrophobicContact CG2-CE 4.16Å |
| 327 | D | 95.9 | Very high | 95.6 | Very high | 50 Ų | 50 | 25 Ų | 25 | 27% | 0.267 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -47.6 | -41.5 | 179.2 | -59.7 | -55.4 | 0 | 0 | 0 | 112.9 | P265 R344 | P265-D327 WeakPolarHBondContact CD-OD1 3.32Å; D327-R344 PolarHBondContact O-NH1 2.99Å |
| 328 | D | 96.9 | Very high | 96 | Very high | 49 Ų | 49 | 26 Ų | 26 | 26% | 0.262 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -105.7 | -24.9 | -165.7 | -60.5 | -16.9 | 0 | 0 | 0 | 113.6 | T326 R344 R345 | T326-D328 PolarHBondContact O-N 3.28Å; T326-D328 VanDerWaalsContact O-N 3.08Å; D328-R344 PolarHBondContact O-N 2.9Å; D328-R345 VanDerWaalsContact CG-NH2 3.32Å; D328-R345 IonicContact OD1-CZ 2.9Å; D328-R345 IonicContact OD1-NE 2.7Å; D328-R345 PolarHBondContact OD1-NE 3.44Å; D328-R345 IonicContact OD1-NH2 2.62Å; D328-R345 PolarHBondContact OD1-NH2 3.41Å; D328-R345 IonicContact OD2-CZ 3.68Å; D328-R345 IonicContact OD2-NH2 3.34Å; D328-R345 PolarHBondContact OD2-NH2 3.28Å |
| 329 | F | 98.5 | Very high | 96.4 | Very high | 29 Ų | 29 | 22.5 Ų | 22.5 | 13% | 0.127 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 153.5 | -171 | -69.8 | -83.9 | 0 | 0 | 0 | 112.3 | T326 L341 Y342 D343 F360 V363 M367 | T326-F329 PolarHBondContact N-O 3.21Å; T326-F329 PolarHBondContact OG1-N 2.91Å; T326-F329 PolarHBondContact OG1-O 2.89Å; F329-L341 HydrophobicContact CB-CD1 4.46Å; F329-L341 HydrophobicContact CD1-CD1 4.37Å; F329-Y342 VanDerWaalsContact CA-O 3.28Å; F329-Y342 WeakPolarHBondContact CA-O 3.35Å; F329-Y342 WeakPolarHBondContact CD1-O 3.03Å; F329-D343 HydrophobicContact CD1-CB 4.28Å; F329-D343 HydrophobicContact CE1-CB 3.87Å; F329-F360 AromaticContact CE1-CD1 3.62Å; F329-F360 HydrophobicContact CE1-CD1 3.62Å; F329-F360 AromaticContact CE1-CE1 3.78Å; F329-F360 HydrophobicContact CE1-CE1 3.78Å; F329-F360 AromaticContact CZ-CD1 3.84Å; F329-F360 HydrophobicContact CZ-CD1 3.84Å; F329-F360 AromaticContact CZ-CE1 3.91Å; F329-F360 HydrophobicContact CZ-CE1 3.91Å; F329-V363 HydrophobicContact CD2-CG2 3.57Å; F329-V363 HydrophobicContact CE1-CG1 4.31Å; F329-V363 HydrophobicContact CE2-CG1 4.25Å; F329-V363 HydrophobicContact CE2-CG2 3.8Å; F329-V363 HydrophobicContact CG-CG2 4.12Å; F329-V363 HydrophobicContact CZ-CG1 4.14Å; F329-V363 HydrophobicContact CZ-CG2 4.49Å; F329-M367 HydrophobicContact CB-CE 3.74Å; F329-M367 HydrophobicContact CB-SD 3.31Å; F329-M367 WeakPolarHBondContact CB-SD 3.31Å; F329-M367 HydrophobicContact CG-SD 4.23Å; F329-M367 VanDerWaalsContact O-CE 3.27Å; F329-M367 WeakPolarHBondContact O-CE 3.48Å |
| 330 | K | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 122.6 | 169.8 | -177.5 | -178.2 | -58.9 | 173.9 | 0 | 109.4 | M241 D243 C323 W324 V325 V332 L341 Y342 R344 E350 | M241-K330 WeakPolarHBondContact O-CD 3.41Å; M241-K330 PolarHBondContact O-NZ 3.46Å; D243-K330 WeakPolarHBondContact OD1-CE 3.42Å; D243-K330 IonicContact OD1-NZ 3.3Å; D243-K330 PolarHBondContact OD1-NZ 3.48Å; C323-K330 WeakPolarHBondContact SG-CG 3.37Å; W324-K330 WeakPolarHBondContact O-CA 3.33Å; V325-K330 HydrophobicContact CG2-CD 4.44Å; V325-K330 HydrophobicContact CG2-CG 4.13Å; K330-V332 HydrophobicContact CD-CG2 4.35Å; K330-V332 HydrophobicContact CG-CG2 4.27Å; K330-L341 CarbonylContact O-C 3.53Å; K330-L341 WeakPolarHBondContact O-CA 3.31Å; K330-Y342 PolarHBondContact N-O 2.91Å; K330-Y342 PolarHBondContact O-N 3.46Å; K330-R344 HydrophobicContact CB-CG 4.34Å; K330-E350 WeakPolarHBondContact CD-OE1 3.29Å; K330-E350 WeakPolarHBondContact CE-OE1 3.25Å; K330-E350 VanDerWaalsContact NZ-CD 3.25Å; K330-E350 IonicContact NZ-OE1 3.37Å; K330-E350 PolarHBondContact NZ-OE1 3.09Å; K330-E350 IonicContact NZ-OE2 2.66Å; K330-E350 PolarHBondContact NZ-OE2 3.22Å; K330-E350 VanDerWaalsContact NZ-OE2 3.11Å |
| 331 | L | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 126.4 | 175.2 | 174.6 | 68.3 | 0 | 0 | 0 | 109.1 | C323 W324 L333 L341 I355 R364 M367 H368 W392 | C323-L331 CarbonylContact C-O 3.31Å; C323-L331 VanDerWaalsContact CA-O 3.25Å; C323-L331 WeakPolarHBondContact CA-O 3.48Å; W324-L331 PolarHBondContact N-O 2.87Å; W324-L331 PolarHBondContact O-N 3.26Å; L331-L333 HydrophobicContact CD1-CD2 4.04Å; L331-L333 HydrophobicContact CD2-CD2 4.31Å; L331-L333 HydrophobicContact CG-CD2 4.11Å; L331-L341 HydrophobicContact CB-CD1 4.25Å; L331-L341 HydrophobicContact CD1-CD1 4.3Å; L331-I355 HydrophobicContact CD1-CD1 4.06Å; L331-R364 HydrophobicContact CD1-CG 4.21Å; L331-M367 HydrophobicContact CB-CB 4.24Å; L331-M367 HydrophobicContact CB-CE 3.82Å; L331-M367 HydrophobicContact CB-SD 4.26Å; L331-M367 HydrophobicContact CD2-CB 3.9Å; L331-H368 HydrophobicContact CD2-CB 3.96Å; L331-W392 HydrophobicContact CD1-CZ2 4.41Å |
| 332 | V | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 122.5 | 177.7 | -173.4 | 0 | 0 | 0 | 0 | 109 | M241 V321 C323 K330 D339 E340 | M241-V332 HydrophobicContact CB-CB 4.49Å; M241-V332 HydrophobicContact CB-CG1 4.02Å; M241-V332 HydrophobicContact CB-CG2 3.63Å; M241-V332 HydrophobicContact CG-CG1 3.64Å; M241-V332 HydrophobicContact CG-CG2 4.16Å; V321-V332 HydrophobicContact CG1-CG1 3.49Å; V321-V332 VanDerWaalsContact CG1-CG1 3.49Å; C323-V332 HydrophobicContact CB-CG2 4.31Å; K330-V332 HydrophobicContact CD-CG2 4.35Å; K330-V332 HydrophobicContact CG-CG2 4.27Å; V332-D339 CarbonylContact O-C 3.49Å; V332-D339 VanDerWaalsContact O-CA 3.31Å; V332-D339 WeakPolarHBondContact O-CA 3.23Å; V332-D339 VanDerWaalsContact O-CB 3.26Å; V332-D339 WeakPolarHBondContact O-CB 3.43Å; V332-E340 HydrophobicContact CB-CB 3.92Å; V332-E340 HydrophobicContact CB-CG 4.37Å; V332-E340 HydrophobicContact CG2-CB 4.19Å; V332-E340 PolarHBondContact N-O 2.8Å; V332-E340 PolarHBondContact O-N 3.04Å |
| 333 | L | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 122.8 | 173 | -56.7 | -171.5 | 0 | 0 | 0 | 109.9 | V321 R322 L331 D339 L371 W387 R390 W392 | V321-L333 VanDerWaalsContact CA-O 3.29Å; V321-L333 WeakPolarHBondContact CA-O 3.4Å; V321-L333 WeakPolarHBondContact CG1-O 3.08Å; R322-L333 PolarHBondContact N-O 3.16Å; R322-L333 PolarHBondContact O-N 3.13Å; L331-L333 HydrophobicContact CD1-CD2 4.04Å; L331-L333 HydrophobicContact CD2-CD2 4.31Å; L331-L333 HydrophobicContact CG-CD2 4.11Å; L333-D339 VanDerWaalsContact CA-OD1 3.29Å; L333-D339 WeakPolarHBondContact CA-OD1 3.45Å; L333-D339 HydrophobicContact CD2-CB 4.11Å; L333-L371 HydrophobicContact CD1-CD2 3.77Å; L333-L371 HydrophobicContact CG-CD2 4.03Å; L333-W387 HydrophobicContact CB-CE3 4.1Å; L333-W387 HydrophobicContact CB-CZ3 4.02Å; L333-W387 HydrophobicContact CD1-CE3 4.31Å; L333-R390 HydrophobicContact CD2-CG 4.49Å; L333-W392 HydrophobicContact CD2-CZ2 3.8Å |
| 334 | N | 96 | Very high | 97.2 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.011 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 120.7 | 174.4 | -172.9 | -44.8 | 0 | 0 | 0 | 108.5 | V321 F336 T337 D339 R390 | V321-N334 HydrophobicContact CG2-CB 4.38Å; N334-F336 VanDerWaalsContact C-N 3.26Å; N334-F336 PolarHBondContact O-N 3.29Å; N334-F336 PolarHBondContact OD1-N 2.93Å; N334-T337 HydrophobicContact CB-CG2 4.09Å; N334-T337 VanDerWaalsContact CG-CG2 3.48Å; N334-T337 WeakPolarHBondContact ND2-CG2 3.15Å; N334-T337 PolarHBondContact OD1-N 2.84Å; N334-D339 PolarHBondContact N-OD1 3.34Å; N334-R390 PolarHBondContact O-NH2 3.47Å |
| 335 | L | 94.8 | Very high | 97.1 | Very high | 42 Ų | 42 | 31.2 Ų | 31.2 | 22% | 0.22 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -75.4 | -15.2 | -175.8 | -58.2 | -175.3 | 0 | 0 | 0 | 114.1 | P320 Q386 W387 | P320-L335 HydrophobicContact CB-CD1 4.41Å; P320-L335 HydrophobicContact CG-CB 3.93Å; P320-L335 HydrophobicContact CG-CD1 4.09Å; P320-L335 HydrophobicContact CG-CG 4.2Å; P320-L335 PolarHBondContact O-N 3.03Å; L335-Q386 HydrophobicContact CD1-CB 4.33Å; L335-Q386 HydrophobicContact CD2-CB 4.16Å; L335-W387 HydrophobicContact CD1-CD2 4.09Å; L335-W387 HydrophobicContact CD1-CH2 4.07Å; L335-W387 HydrophobicContact CD1-CZ2 3.57Å; L335-W387 HydrophobicContact CD2-CD2 3.75Å; L335-W387 HydrophobicContact CD2-CE3 3.7Å; L335-W387 HydrophobicContact CD2-CG 4.22Å; L335-W387 HydrophobicContact CD2-CH2 4.32Å; L335-W387 HydrophobicContact CD2-CZ2 4.4Å; L335-W387 HydrophobicContact CD2-CZ3 3.98Å; L335-W387 HydrophobicContact CG-CD2 4.15Å; L335-W387 HydrophobicContact CG-CE3 4.15Å; L335-W387 HydrophobicContact CG-CH2 3.84Å; L335-W387 HydrophobicContact CG-CZ2 3.87Å; L335-W387 HydrophobicContact CG-CZ3 3.98Å |
| 336 | F | 92.6 | Very high | 97 | Very high | 132 Ų | 132 | 37.8 Ų | 37.8 | 58% | 0.579 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -104.7 | -15.8 | -176 | -65.4 | -19.9 | 0 | 0 | 0 | 113.9 | F318 P320 N334 | F318-F336 AromaticContact CD1-CE2 3.84Å; F318-F336 HydrophobicContact CD1-CE2 3.84Å; F318-F336 AromaticContact CD1-CZ 3.86Å; F318-F336 HydrophobicContact CD1-CZ 3.86Å; F318-F336 HydrophobicContact CE1-CE2 4.36Å; F318-F336 HydrophobicContact CE1-CZ 4.09Å; F318-F336 WeakPolarHBondContact O-CE2 3.36Å; P320-F336 VanDerWaalsContact CD-CD2 3.47Å; P320-F336 HydrophobicContact CG-CD2 4.38Å; P320-F336 HydrophobicContact CG-CE1 4.28Å; P320-F336 HydrophobicContact CG-CE2 4.06Å; P320-F336 HydrophobicContact CG-CZ 4Å; N334-F336 VanDerWaalsContact C-N 3.26Å; N334-F336 PolarHBondContact O-N 3.29Å; N334-F336 PolarHBondContact OD1-N 2.93Å |
| 337 | T | 93.1 | Very high | 96.9 | Very high | 41 Ų | 41 | 37.1 Ų | 37.1 | 25% | 0.252 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -143.1 | -159.6 | 176.1 | -168.7 | 0 | 0 | 0 | 0 | 111.3 | P166 N334 | P166-T337 HydrophobicContact CB-CG2 3.92Å; N334-T337 HydrophobicContact CB-CG2 4.09Å; N334-T337 VanDerWaalsContact CG-CG2 3.48Å; N334-T337 WeakPolarHBondContact ND2-CG2 3.15Å; N334-T337 PolarHBondContact OD1-N 2.84Å |
| 338 | S | 94.9 | Very high | 96.8 | Very high | 50 Ų | 50 | 38.1 Ų | 38.1 | 35% | 0.35 | 19% | 0.19 | S | C | . | . | trans | -67.9 | 150.4 | 179.8 | 58.8 | 0 | 0 | 0 | 0 | 112.6 | P166 | P166-S338 VanDerWaalsContact CA-OG 3.32Å; P166-S338 WeakPolarHBondContact CA-OG 3.21Å; P166-S338 WeakPolarHBondContact CG-OG 3.48Å | ||
| 339 | D | 98.1 | Very high | 96.6 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | trans | -84 | 170.5 | 172 | -59.3 | -35.6 | 0 | 0 | 0 | 111.1 | V332 L333 N334 N353 I355 R390 W392 | V332-D339 CarbonylContact O-C 3.49Å; V332-D339 VanDerWaalsContact O-CA 3.31Å; V332-D339 WeakPolarHBondContact O-CA 3.23Å; V332-D339 VanDerWaalsContact O-CB 3.26Å; V332-D339 WeakPolarHBondContact O-CB 3.43Å; L333-D339 VanDerWaalsContact CA-OD1 3.29Å; L333-D339 WeakPolarHBondContact CA-OD1 3.45Å; L333-D339 HydrophobicContact CD2-CB 4.11Å; N334-D339 PolarHBondContact N-OD1 3.34Å; D339-N353 PolarHBondContact O-ND2 3.3Å; D339-N353 VanDerWaalsContact O-ND2 3.12Å; D339-I355 HydrophobicContact CB-CD1 3.56Å; D339-I355 HydrophobicContact CB-CG1 3.7Å; D339-I355 WeakPolarHBondContact O-CG2 3.42Å; D339-R390 IonicContact OD1-CZ 2.8Å; D339-R390 IonicContact OD1-NE 2.9Å; D339-R390 PolarHBondContact OD1-NE 3.46Å; D339-R390 IonicContact OD1-NH2 3.01Å; D339-R390 PolarHBondContact OD1-NH2 2.94Å; D339-R390 IonicContact OD2-CZ 3.43Å; D339-R390 IonicContact OD2-NE 3.55Å; D339-R390 PolarHBondContact OD2-NE 2.84Å; D339-R390 IonicContact OD2-NH2 3.57Å; D339-R390 PolarHBondContact OD2-NH2 3.44Å; D339-R390 VanDerWaalsContact OD2-NH2 3.08Å; D339-W392 PolarHBondContact OD2-NE1 2.94Å | ||
| 340 | E | 98.6 | Very high | 96.5 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.009 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 145.5 | -179 | -46.2 | 169.5 | -103.1 | 0 | 0 | 111.4 | P166 H169 V332 Y342 N353 | P166-E340 HydrophobicContact CG-CG 3.64Å; H169-E340 IonicContact CE1-OE1 3.61Å; H169-E340 IonicContact CE1-OE2 2.98Å; V332-E340 HydrophobicContact CB-CB 3.92Å; V332-E340 HydrophobicContact CB-CG 4.37Å; V332-E340 HydrophobicContact CG2-CB 4.19Å; V332-E340 PolarHBondContact N-O 2.8Å; V332-E340 PolarHBondContact O-N 3.04Å; E340-Y342 HydrophobicContact CB-CD2 4.47Å; E340-Y342 HydrophobicContact CB-CE2 3.69Å; E340-Y342 HydrophobicContact CG-CE2 4.43Å; E340-Y342 PolarHBondContact OE2-OH 3.39Å; E340-N353 VanDerWaalsContact CA-OD1 3.26Å; E340-N353 WeakPolarHBondContact CA-OD1 3.3Å |
| 341 | L | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 125 | 170.1 | -178.8 | 73.2 | 0 | 0 | 0 | 109.1 | F329 K330 L331 N353 L354 I355 F360 R364 M367 | F329-L341 HydrophobicContact CB-CD1 4.46Å; F329-L341 HydrophobicContact CD1-CD1 4.37Å; K330-L341 CarbonylContact O-C 3.53Å; K330-L341 WeakPolarHBondContact O-CA 3.31Å; L331-L341 HydrophobicContact CB-CD1 4.25Å; L331-L341 HydrophobicContact CD1-CD1 4.3Å; L341-N353 PolarHBondContact N-OD1 2.91Å; L341-L354 HydrophobicContact CB-CB 4.32Å; L341-L354 HydrophobicContact CD2-CB 4.21Å; L341-L354 HydrophobicContact CG-CB 4.39Å; L341-L354 WeakPolarHBondContact O-CB 3.47Å; L341-L354 PolarHBondContact O-N 3.41Å; L341-I355 HydrophobicContact CB-CD1 4.24Å; L341-F360 HydrophobicContact CD2-CB 3.77Å; L341-R364 HydrophobicContact CD2-CB 3.95Å; L341-R364 HydrophobicContact CD2-CG 4.23Å; L341-M367 HydrophobicContact CD1-SD 4.1Å |
| 342 | Y | 98.7 | Very high | 96.2 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 0% | 0.004 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 135.2 | 179 | -61.3 | -63 | 0 | 0 | 0 | 111.4 | K165 Y242 F329 K330 E340 E350 H352 N353 | K165-Y342 WeakPolarHBondContact CD-OH 3.2Å; K165-Y342 PolarHBondContact NZ-OH 2.93Å; Y242-Y342 HydrophobicContact CD1-CE2 4.31Å; Y242-Y342 AromaticContact CE1-CE2 3.9Å; Y242-Y342 HydrophobicContact CE1-CE2 3.9Å; Y242-Y342 AromaticContact CE1-CZ 3.83Å; F329-Y342 VanDerWaalsContact CA-O 3.28Å; F329-Y342 WeakPolarHBondContact CA-O 3.35Å; F329-Y342 WeakPolarHBondContact CD1-O 3.03Å; K330-Y342 PolarHBondContact N-O 2.91Å; K330-Y342 PolarHBondContact O-N 3.46Å; E340-Y342 HydrophobicContact CB-CD2 4.47Å; E340-Y342 HydrophobicContact CB-CE2 3.69Å; E340-Y342 HydrophobicContact CG-CE2 4.43Å; E340-Y342 PolarHBondContact OE2-OH 3.39Å; Y342-E350 HydrophobicContact CD1-CB 3.86Å; Y342-E350 HydrophobicContact CD2-CB 4.04Å; Y342-E350 HydrophobicContact CD2-CG 4.27Å; Y342-E350 WeakPolarHBondContact CD2-OE1 3.18Å; Y342-E350 HydrophobicContact CE1-CB 4.2Å; Y342-E350 WeakPolarHBondContact CE1-O 3.36Å; Y342-E350 HydrophobicContact CE2-CB 4.35Å; Y342-E350 HydrophobicContact CG-CB 3.8Å; Y342-E350 HydrophobicContact CG-CG 4.05Å; Y342-H352 WeakPolarHBondContact CD1-O 3.3Å; Y342-N353 HydrophobicContact CE1-CB 4.15Å |
| 343 | D | 98.3 | Very high | 96.2 | Very high | 16 Ų | 16 | 48.8 Ų | 48.8 | 9% | 0.086 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 105.3 | 170.2 | 179.9 | -27.8 | 0 | 0 | 0 | 108.6 | F329 R345 N346 D347 L354 | F329-D343 HydrophobicContact CD1-CB 4.28Å; F329-D343 HydrophobicContact CE1-CB 3.87Å; D343-R345 PolarHBondContact O-N 2.68Å; D343-R345 PolarHBondContact OD1-N 3.11Å; D343-N346 PolarHBondContact OD1-N 2.68Å; D343-N346 PolarHBondContact OD1-ND2 3.3Å; D343-N346 PolarHBondContact OD2-ND2 2.82Å; D343-D347 CarbonylContact O-C 3.56Å; D343-D347 VanDerWaalsContact O-C 3.31Å; D343-D347 VanDerWaalsContact O-CA 3.27Å; D343-D347 WeakPolarHBondContact O-CA 3.43Å; D343-D347 WeakPolarHBondContact O-CB 3.33Å; D343-D347 PolarHBondContact O-N 2.71Å; D343-L354 HydrophobicContact CB-CD1 3.87Å |
| 344 | R | 97 | Very high | 96.2 | Very high | 36 Ų | 36 | 50 Ų | 50 | 14% | 0.136 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -16.6 | -171.9 | -61.7 | 176.6 | 69.5 | -142.7 | -2.5 | 113.2 | S44 Y46 T326 D327 D328 K330 | S44-R344 PolarHBondContact OG-NH1 2.91Å; S44-R344 PolarHBondContact OG-NH2 3.46Å; Y46-R344 VanDerWaalsContact OH-CZ 3.3Å; Y46-R344 PolarHBondContact OH-NE 2.87Å; Y46-R344 PolarHBondContact OH-NH2 2.79Å; T326-R344 WeakPolarHBondContact O-CD 2.89Å; T326-R344 PolarHBondContact O-NH1 3.29Å; D327-R344 PolarHBondContact O-NH1 2.99Å; D328-R344 PolarHBondContact O-N 2.9Å; K330-R344 HydrophobicContact CB-CG 4.34Å |
| 345 | R | 95.4 | Very high | 96.3 | Very high | 172 Ų | 172 | 50.3 Ų | 50.3 | 65% | 0.649 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -45 | 179.5 | -67.2 | -174.4 | -179.8 | -178.2 | 3 | 111.5 | D328 D343 | D328-R345 VanDerWaalsContact CG-NH2 3.32Å; D328-R345 IonicContact OD1-CZ 2.9Å; D328-R345 IonicContact OD1-NE 2.7Å; D328-R345 PolarHBondContact OD1-NE 3.44Å; D328-R345 IonicContact OD1-NH2 2.62Å; D328-R345 PolarHBondContact OD1-NH2 3.41Å; D328-R345 IonicContact OD2-CZ 3.68Å; D328-R345 IonicContact OD2-NH2 3.34Å; D328-R345 PolarHBondContact OD2-NH2 3.28Å; D343-R345 PolarHBondContact O-N 2.68Å; D343-R345 PolarHBondContact OD1-N 3.11Å |
| 346 | N | 97.3 | Very high | 96.4 | Very high | 137 Ų | 137 | 54.3 Ų | 54.3 | 73% | 0.733 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | -15.6 | -174.5 | -59.6 | -58.9 | 0 | 0 | 0 | 113.2 | D343 | D343-N346 PolarHBondContact OD1-N 2.68Å; D343-N346 PolarHBondContact OD1-ND2 3.3Å; D343-N346 PolarHBondContact OD2-ND2 2.82Å |
| 347 | D | 96.7 | Very high | 96.6 | Very high | 15 Ų | 15 | 49.6 Ų | 49.6 | 8% | 0.08 | 25% | 0.254 | C | S | . | . | trans | -134.4 | 64.6 | 177.1 | -176.6 | 27.7 | 0 | 0 | 0 | 110.5 | D343 N349 E350 M351 H352 | D343-D347 CarbonylContact O-C 3.56Å; D343-D347 VanDerWaalsContact O-C 3.31Å; D343-D347 VanDerWaalsContact O-CA 3.27Å; D343-D347 WeakPolarHBondContact O-CA 3.43Å; D343-D347 WeakPolarHBondContact O-CB 3.33Å; D343-D347 PolarHBondContact O-N 2.71Å; D347-N349 PolarHBondContact O-N 3.39Å; D347-N349 VanDerWaalsContact O-N 3.12Å; D347-E350 PolarHBondContact O-N 3.18Å; D347-E350 PolarHBondContact OD1-N 2.85Å; D347-E350 WeakPolarHBondContact OD2-CA 3.38Å; D347-M351 PolarHBondContact OD1-N 2.73Å; D347-M351 PolarHBondContact OD2-N 2.8Å; D347-H352 PolarHBondContact OD2-N 3.44Å | ||
| 348 | P | 93.1 | Very high | 96.8 | Very high | 72 Ų | 72 | 54.3 Ų | 54.3 | 47% | 0.468 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -14.3 | -174.3 | 28.8 | -37.4 | 0 | 0 | 0 | 114.1 | ||
| 349 | N | 92.2 | Very high | 96.9 | Very high | 113 Ų | 113 | 61.2 Ų | 61.2 | 60% | 0.604 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | 8.3 | 174.6 | -58.8 | -39.3 | 0 | 0 | 0 | 111.8 | H232 D347 M351 | H232-N349 PolarHBondContact CE1-O 3.38Å; H232-N349 PolarHBondContact NE2-O 3.43Å; D347-N349 PolarHBondContact O-N 3.39Å; D347-N349 VanDerWaalsContact O-N 3.12Å; N349-M351 VanDerWaalsContact C-N 3.28Å; N349-M351 HydrophobicContact CB-CG 3.94Å; N349-M351 HydrophobicContact CB-SD 4.23Å; N349-M351 PolarHBondContact O-N 2.93Å |
| 350 | E | 96.2 | Very high | 96.9 | Very high | 3 Ų | 3 | 63 Ų | 63 | 1% | 0.014 | 30% | 0.302 | C | S | . | . | trans | 53 | 42.6 | 173.3 | -54.4 | -178.6 | 98.5 | 0 | 0 | 113 | K165 H232 Y242 D243 K330 Y342 D347 | K165-E350 PolarHBondContact NZ-O 2.74Å; H232-E350 PolarHBondContact CE1-O 3.37Å; H232-E350 VanDerWaalsContact CE1-O 3.27Å; Y242-E350 VanDerWaalsContact CA-OE2 3.23Å; Y242-E350 WeakPolarHBondContact CA-OE2 3.2Å; Y242-E350 HydrophobicContact CD1-CB 4.03Å; Y242-E350 HydrophobicContact CE1-CB 4.41Å; D243-E350 PolarHBondContact N-OE2 2.94Å; K330-E350 WeakPolarHBondContact CD-OE1 3.29Å; K330-E350 WeakPolarHBondContact CE-OE1 3.25Å; K330-E350 VanDerWaalsContact NZ-CD 3.25Å; K330-E350 IonicContact NZ-OE1 3.37Å; K330-E350 PolarHBondContact NZ-OE1 3.09Å; K330-E350 IonicContact NZ-OE2 2.66Å; K330-E350 PolarHBondContact NZ-OE2 3.22Å; K330-E350 VanDerWaalsContact NZ-OE2 3.11Å; Y342-E350 HydrophobicContact CD1-CB 3.86Å; Y342-E350 HydrophobicContact CD2-CB 4.04Å; Y342-E350 HydrophobicContact CD2-CG 4.27Å; Y342-E350 WeakPolarHBondContact CD2-OE1 3.18Å; Y342-E350 HydrophobicContact CE1-CB 4.2Å; Y342-E350 WeakPolarHBondContact CE1-O 3.36Å; Y342-E350 HydrophobicContact CE2-CB 4.35Å; Y342-E350 HydrophobicContact CG-CB 3.8Å; Y342-E350 HydrophobicContact CG-CG 4.05Å; D347-E350 PolarHBondContact O-N 3.18Å; D347-E350 PolarHBondContact OD1-N 2.85Å; D347-E350 WeakPolarHBondContact OD2-CA 3.38Å | ||
| 351 | M | 95 | Very high | 96.9 | Very high | 46 Ų | 46 | 63.6 Ų | 63.6 | 23% | 0.227 | 31% | 0.307 | C | S | . | . | trans | -82 | -27.5 | -175.8 | -59.9 | -58.8 | -60.8 | 0 | 0 | 112.4 | D160 K165 D347 N349 | D160-M351 HydrophobicContact CB-CE 3.66Å; D160-M351 VanDerWaalsContact CG-CE 3.49Å; K165-M351 WeakPolarHBondContact CE-O 3.46Å; K165-M351 PolarHBondContact NZ-O 3.24Å; D347-M351 PolarHBondContact OD1-N 2.73Å; D347-M351 PolarHBondContact OD2-N 2.8Å; N349-M351 VanDerWaalsContact C-N 3.28Å; N349-M351 HydrophobicContact CB-CG 3.94Å; N349-M351 HydrophobicContact CB-SD 4.23Å; N349-M351 PolarHBondContact O-N 2.93Å | ||
| 352 | H | 96.5 | Very high | 96.9 | Very high | 115 Ų | 115 | 69.7 Ų | 69.7 | 53% | 0.532 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -115.1 | 106 | -170.6 | -61.1 | -58.5 | 0 | 0 | 0 | 111.5 | Y342 D347 L354 | Y342-H352 WeakPolarHBondContact CD1-O 3.3Å; D347-H352 PolarHBondContact OD2-N 3.44Å; H352-L354 PolarHBondContact O-N 3.2Å |
| 353 | N | 98.1 | Very high | 96.8 | Very high | 25 Ų | 25 | 71.5 Ų | 71.5 | 13% | 0.134 | 35% | 0.351 | C | S | . | . | trans | -72.4 | 112.5 | 174.1 | -174.3 | 2.6 | 0 | 0 | 0 | 110.6 | N164 D339 E340 L341 Y342 I355 | N164-N353 PolarHBondContact ND2-N 3.21Å; N164-N353 WeakPolarHBondContact O-CB 3.16Å; N164-N353 PolarHBondContact O-ND2 2.7Å; D339-N353 PolarHBondContact O-ND2 3.3Å; D339-N353 VanDerWaalsContact O-ND2 3.12Å; E340-N353 VanDerWaalsContact CA-OD1 3.26Å; E340-N353 WeakPolarHBondContact CA-OD1 3.3Å; L341-N353 PolarHBondContact N-OD1 2.91Å; Y342-N353 HydrophobicContact CE1-CB 4.15Å; N353-I355 VanDerWaalsContact OD1-CB 3.24Å; N353-I355 WeakPolarHBondContact OD1-CB 3.44Å; N353-I355 WeakPolarHBondContact OD1-CG2 3.49Å; N353-I355 PolarHBondContact OD1-N 3.3Å | ||
| 354 | L | 98.3 | Very high | 96.8 | Very high | 27 Ų | 27 | 71.4 Ų | 71.4 | 14% | 0.141 | 35% | 0.349 | C | S | . | . | trans | -93.4 | 11.3 | -179.2 | -58.8 | 175.4 | 0 | 0 | 0 | 113.2 | L341 D343 H352 D356 D357 F360 | L341-L354 HydrophobicContact CB-CB 4.32Å; L341-L354 HydrophobicContact CD2-CB 4.21Å; L341-L354 HydrophobicContact CG-CB 4.39Å; L341-L354 WeakPolarHBondContact O-CB 3.47Å; L341-L354 PolarHBondContact O-N 3.41Å; D343-L354 HydrophobicContact CB-CD1 3.87Å; H352-L354 PolarHBondContact O-N 3.2Å; L354-D356 PolarHBondContact O-N 3.23Å; L354-D356 VanDerWaalsContact O-N 3.09Å; L354-D357 HydrophobicContact CB-CB 4.39Å; L354-D357 WeakPolarHBondContact O-CB 3.04Å; L354-D357 PolarHBondContact O-N 2.86Å; L354-F360 HydrophobicContact CB-CD2 4.33Å; L354-F360 HydrophobicContact CD1-CD1 4.49Å; L354-F360 HydrophobicContact CD1-CD2 4.14Å; L354-F360 HydrophobicContact CD1-CE1 4.19Å; L354-F360 HydrophobicContact CD1-CE2 3.82Å; L354-F360 HydrophobicContact CD1-CG 4.46Å; L354-F360 HydrophobicContact CD1-CZ 3.84Å; L354-F360 HydrophobicContact CD2-CE2 4.18Å; L354-F360 HydrophobicContact CG-CE2 4.45Å | ||
| 355 | I | 98.3 | Very high | 96.9 | Very high | 7 Ų | 7 | 70.5 Ų | 70.5 | 4% | 0.036 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -33 | -169.6 | -168.8 | 65.6 | 0 | 0 | 0 | 114 | L331 D339 L341 N353 R364 W392 | L331-I355 HydrophobicContact CD1-CD1 4.06Å; D339-I355 HydrophobicContact CB-CD1 3.56Å; D339-I355 HydrophobicContact CB-CG1 3.7Å; D339-I355 WeakPolarHBondContact O-CG2 3.42Å; L341-I355 HydrophobicContact CB-CD1 4.24Å; N353-I355 VanDerWaalsContact OD1-CB 3.24Å; N353-I355 WeakPolarHBondContact OD1-CB 3.44Å; N353-I355 WeakPolarHBondContact OD1-CG2 3.49Å; N353-I355 PolarHBondContact OD1-N 3.3Å; I355-R364 HydrophobicContact CD1-CG 4.43Å; I355-R364 VanDerWaalsContact O-CD 3.28Å; I355-R364 WeakPolarHBondContact O-CD 3.38Å; I355-R364 PolarHBondContact O-NH1 3.3Å; I355-W392 HydrophobicContact CD1-CD2 4.44Å; I355-W392 HydrophobicContact CD1-CZ2 4.25Å; I355-W392 HydrophobicContact CG1-CG 4.38Å |
| 356 | D | 97 | Very high | 97 | Very high | 127 Ų | 127 | 69.7 Ų | 69.7 | 68% | 0.679 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | 0.2 | -179.3 | -71.9 | -47.7 | 0 | 0 | 0 | 113.5 | L354 I358 | L354-D356 PolarHBondContact O-N 3.23Å; L354-D356 VanDerWaalsContact O-N 3.09Å; D356-I358 PolarHBondContact O-N 3.38Å |
| 357 | D | 97.7 | Very high | 97 | Very high | 33 Ų | 33 | 63.5 Ų | 63.5 | 18% | 0.176 | 32% | 0.317 | C | S | . | . | trans | -73.3 | 114.4 | -178.9 | -170.5 | -26.9 | 0 | 0 | 0 | 110.9 | L354 R359 F360 | L354-D357 HydrophobicContact CB-CB 4.39Å; L354-D357 WeakPolarHBondContact O-CB 3.04Å; L354-D357 PolarHBondContact O-N 2.86Å; D357-R359 PolarHBondContact O-N 3.2Å; D357-R359 VanDerWaalsContact O-N 3.15Å; D357-R359 VanDerWaalsContact OD1-CB 3.26Å; D357-R359 WeakPolarHBondContact OD1-CB 3.49Å; D357-R359 WeakPolarHBondContact OD1-CG 3.29Å; D357-R359 IonicContact OD1-CZ 3.96Å; D357-R359 PolarHBondContact OD1-N 2.88Å; D357-R359 IonicContact OD1-NE 3.03Å; D357-R359 PolarHBondContact OD1-NE 3.49Å; D357-R359 IonicContact OD2-CZ 3.22Å; D357-R359 VanDerWaalsContact OD2-CZ 3.22Å; D357-R359 IonicContact OD2-NE 3.04Å; D357-R359 PolarHBondContact OD2-NE 3Å; D357-R359 IonicContact OD2-NH2 2.63Å; D357-R359 PolarHBondContact OD2-NH2 2.93Å; D357-F360 HydrophobicContact CB-CD2 3.85Å; D357-F360 HydrophobicContact CB-CE2 4.49Å; D357-F360 PolarHBondContact O-N 3.13Å | ||
| 358 | I | 96.8 | Very high | 97.1 | Very high | 139 Ų | 139 | 62.8 Ų | 62.8 | 71% | 0.713 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -60.8 | -25.3 | -177.3 | -168.4 | 60 | 0 | 0 | 0 | 113.1 | D356 F360 A361 | D356-I358 PolarHBondContact O-N 3.38Å; I358-F360 PolarHBondContact O-N 2.86Å; I358-A361 HydrophobicContact CD1-CB 4.03Å; I358-A361 WeakPolarHBondContact O-CB 3.27Å; I358-A361 PolarHBondContact O-N 3.35Å |
| 359 | R | 97.8 | Very high | 97.3 | Very high | 195 Ų | 195 | 62 Ų | 62 | 74% | 0.736 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -64.9 | -24.3 | 178 | -61 | 174.9 | -68.4 | 176.9 | 0 | 112.2 | D357 | D357-R359 PolarHBondContact O-N 3.2Å; D357-R359 VanDerWaalsContact O-N 3.15Å; D357-R359 VanDerWaalsContact OD1-CB 3.26Å; D357-R359 WeakPolarHBondContact OD1-CB 3.49Å; D357-R359 WeakPolarHBondContact OD1-CG 3.29Å; D357-R359 IonicContact OD1-CZ 3.96Å; D357-R359 PolarHBondContact OD1-N 2.88Å; D357-R359 IonicContact OD1-NE 3.03Å; D357-R359 PolarHBondContact OD1-NE 3.49Å; D357-R359 IonicContact OD2-CZ 3.22Å; D357-R359 VanDerWaalsContact OD2-CZ 3.22Å; D357-R359 IonicContact OD2-NE 3.04Å; D357-R359 PolarHBondContact OD2-NE 3Å; D357-R359 IonicContact OD2-NH2 2.63Å; D357-R359 PolarHBondContact OD2-NH2 2.93Å |
| 360 | F | 98 | Very high | 97.5 | Very high | 41 Ų | 41 | 58.3 Ų | 58.3 | 18% | 0.18 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -105.9 | 9.1 | -178.7 | -60.2 | -88.1 | 0 | 0 | 0 | 112.9 | F329 L341 L354 D357 I358 D362 V363 R364 | F329-F360 AromaticContact CE1-CD1 3.62Å; F329-F360 HydrophobicContact CE1-CD1 3.62Å; F329-F360 AromaticContact CE1-CE1 3.78Å; F329-F360 HydrophobicContact CE1-CE1 3.78Å; F329-F360 AromaticContact CZ-CD1 3.84Å; F329-F360 HydrophobicContact CZ-CD1 3.84Å; F329-F360 AromaticContact CZ-CE1 3.91Å; F329-F360 HydrophobicContact CZ-CE1 3.91Å; L341-F360 HydrophobicContact CD2-CB 3.77Å; L354-F360 HydrophobicContact CB-CD2 4.33Å; L354-F360 HydrophobicContact CD1-CD1 4.49Å; L354-F360 HydrophobicContact CD1-CD2 4.14Å; L354-F360 HydrophobicContact CD1-CE1 4.19Å; L354-F360 HydrophobicContact CD1-CE2 3.82Å; L354-F360 HydrophobicContact CD1-CG 4.46Å; L354-F360 HydrophobicContact CD1-CZ 3.84Å; L354-F360 HydrophobicContact CD2-CE2 4.18Å; L354-F360 HydrophobicContact CG-CE2 4.45Å; D357-F360 HydrophobicContact CB-CD2 3.85Å; D357-F360 HydrophobicContact CB-CE2 4.49Å; D357-F360 PolarHBondContact O-N 3.13Å; I358-F360 PolarHBondContact O-N 2.86Å; F360-D362 VanDerWaalsContact C-N 3.3Å; F360-D362 PolarHBondContact O-N 3.13Å; F360-V363 HydrophobicContact CB-CG1 3.9Å; F360-V363 HydrophobicContact CD1-CG1 4.1Å; F360-V363 WeakPolarHBondContact O-CG1 3.44Å; F360-V363 PolarHBondContact O-N 3.2Å; F360-R364 WeakPolarHBondContact O-CB 3.5Å; F360-R364 PolarHBondContact O-N 3Å |
| 361 | A | 98 | Very high | 97.6 | Very high | 15 Ų | 15 | 58.2 Ų | 58.2 | 12% | 0.124 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.4 | -39.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | I358 S365 | I358-A361 HydrophobicContact CD1-CB 4.03Å; I358-A361 WeakPolarHBondContact O-CB 3.27Å; I358-A361 PolarHBondContact O-N 3.35Å; A361-S365 WeakPolarHBondContact O-CB 3.29Å; A361-S365 PolarHBondContact O-N 3.28Å; A361-S365 PolarHBondContact O-OG 3.39Å |
| 362 | D | 97.7 | Very high | 97.5 | Very high | 129 Ų | 129 | 56.5 Ų | 56.5 | 69% | 0.69 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -68.4 | -43.7 | -179.7 | -74.5 | -7.3 | 0 | 0 | 0 | 112.4 | F360 S365 K366 | F360-D362 VanDerWaalsContact C-N 3.3Å; F360-D362 PolarHBondContact O-N 3.13Å; D362-S365 PolarHBondContact O-N 3.15Å; D362-K366 WeakPolarHBondContact O-CG 3.26Å; D362-K366 PolarHBondContact O-N 3.32Å |
| 363 | V | 97.8 | Very high | 97.3 | Very high | 38 Ų | 38 | 55.2 Ų | 55.2 | 23% | 0.23 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -71 | -44.3 | 179.1 | 62.6 | 0 | 0 | 0 | 0 | 111 | F329 F360 S365 K366 M367 | F329-V363 HydrophobicContact CD2-CG2 3.57Å; F329-V363 HydrophobicContact CE1-CG1 4.31Å; F329-V363 HydrophobicContact CE2-CG1 4.25Å; F329-V363 HydrophobicContact CE2-CG2 3.8Å; F329-V363 HydrophobicContact CG-CG2 4.12Å; F329-V363 HydrophobicContact CZ-CG1 4.14Å; F329-V363 HydrophobicContact CZ-CG2 4.49Å; F360-V363 HydrophobicContact CB-CG1 3.9Å; F360-V363 HydrophobicContact CD1-CG1 4.1Å; F360-V363 WeakPolarHBondContact O-CG1 3.44Å; F360-V363 PolarHBondContact O-N 3.2Å; V363-S365 PolarHBondContact O-N 2.99Å; V363-K366 PolarHBondContact O-N 3.17Å; V363-M367 HydrophobicContact CG2-CG 4.4Å; V363-M367 HydrophobicContact CG2-SD 4.3Å; V363-M367 WeakPolarHBondContact O-CG 3.27Å; V363-M367 PolarHBondContact O-N 3.29Å |
| 364 | R | 98.1 | Very high | 97.1 | Very high | 14 Ų | 14 | 55.1 Ų | 55.1 | 5% | 0.053 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -52.9 | -44.2 | 172.8 | -172.4 | -177.2 | 64.1 | -152 | 5 | 110.7 | L331 L341 I355 F360 M367 H368 W392 | L331-R364 HydrophobicContact CD1-CG 4.21Å; L341-R364 HydrophobicContact CD2-CB 3.95Å; L341-R364 HydrophobicContact CD2-CG 4.23Å; I355-R364 HydrophobicContact CD1-CG 4.43Å; I355-R364 VanDerWaalsContact O-CD 3.28Å; I355-R364 WeakPolarHBondContact O-CD 3.38Å; I355-R364 PolarHBondContact O-NH1 3.3Å; F360-R364 WeakPolarHBondContact O-CB 3.5Å; F360-R364 PolarHBondContact O-N 3Å; R364-M367 PolarHBondContact O-N 2.97Å; R364-H368 VanDerWaalsContact O-CB 3.32Å; R364-H368 WeakPolarHBondContact O-CB 3.48Å; R364-H368 PolarHBondContact O-N 2.89Å; R364-W392 VanDerWaalsContact CD-CE3 3.49Å; R364-W392 HydrophobicContact CG-CD2 4.44Å; R364-W392 HydrophobicContact CG-CE3 3.96Å; R364-W392 HydrophobicContact CG-CH2 3.84Å; R364-W392 HydrophobicContact CG-CZ2 4.34Å; R364-W392 HydrophobicContact CG-CZ3 3.61Å; R364-W392 PolarHBondContact NH2-O 3.27Å; R364-W392 VanDerWaalsContact NH2-O 3.13Å |
| 365 | S | 98.2 | Very high | 96.9 | Very high | 17 Ų | 17 | 54 Ų | 54 | 12% | 0.119 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.2 | -47.1 | 179.6 | -68.8 | 0 | 0 | 0 | 0 | 113.1 | A361 D362 V363 M367 H368 D369 R393 | A361-S365 WeakPolarHBondContact O-CB 3.29Å; A361-S365 PolarHBondContact O-N 3.28Å; A361-S365 PolarHBondContact O-OG 3.39Å; D362-S365 PolarHBondContact O-N 3.15Å; V363-S365 PolarHBondContact O-N 2.99Å; S365-M367 PolarHBondContact O-N 3.08Å; S365-H368 WeakPolarHBondContact O-CB 3.43Å; S365-H368 PolarHBondContact O-N 2.73Å; S365-D369 PolarHBondContact O-N 3.46Å; S365-D369 VanDerWaalsContact O-OD2 3.08Å; S365-R393 VanDerWaalsContact C-NH1 3.28Å; S365-R393 PolarHBondContact O-NH1 3.2Å; S365-R393 WeakPolarHBondContact OG-CD 3.31Å; S365-R393 PolarHBondContact OG-NE 3.5Å |
| 366 | K | 97.7 | Very high | 96.3 | Very high | 155 Ų | 155 | 55 Ų | 55 | 67% | 0.674 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -62.9 | -40.9 | 177 | -71.5 | 171.8 | -176.9 | 174.3 | 0 | 112.3 | D362 V363 H368 D369 A370 | D362-K366 WeakPolarHBondContact O-CG 3.26Å; D362-K366 PolarHBondContact O-N 3.32Å; V363-K366 PolarHBondContact O-N 3.17Å; K366-H368 VanDerWaalsContact C-N 3.34Å; K366-D369 PolarHBondContact O-N 3.31Å; K366-A370 WeakPolarHBondContact O-CB 3.5Å; K366-A370 PolarHBondContact O-N 3.03Å |
| 367 | M | 98.4 | Very high | 95.9 | Very high | 8 Ų | 8 | 54.5 Ų | 54.5 | 4% | 0.039 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.5 | -38.9 | 176.5 | -71.1 | -177.6 | 79.7 | 0 | 0 | 112.1 | W324 T326 F329 L331 L341 V363 R364 S365 A370 L371 | W324-M367 VanDerWaalsContact O-CE 3.27Å; W324-M367 WeakPolarHBondContact O-CE 3.33Å; T326-M367 HydrophobicContact CG2-CE 4.16Å; F329-M367 HydrophobicContact CB-CE 3.74Å; F329-M367 HydrophobicContact CB-SD 3.31Å; F329-M367 WeakPolarHBondContact CB-SD 3.31Å; F329-M367 HydrophobicContact CG-SD 4.23Å; F329-M367 VanDerWaalsContact O-CE 3.27Å; F329-M367 WeakPolarHBondContact O-CE 3.48Å; L331-M367 HydrophobicContact CB-CB 4.24Å; L331-M367 HydrophobicContact CB-CE 3.82Å; L331-M367 HydrophobicContact CB-SD 4.26Å; L331-M367 HydrophobicContact CD2-CB 3.9Å; L341-M367 HydrophobicContact CD1-SD 4.1Å; V363-M367 HydrophobicContact CG2-CG 4.4Å; V363-M367 HydrophobicContact CG2-SD 4.3Å; V363-M367 WeakPolarHBondContact O-CG 3.27Å; V363-M367 PolarHBondContact O-N 3.29Å; R364-M367 PolarHBondContact O-N 2.97Å; S365-M367 PolarHBondContact O-N 3.08Å; M367-A370 PolarHBondContact O-N 3.33Å; M367-L371 WeakPolarHBondContact O-CB 3.48Å; M367-L371 PolarHBondContact O-N 3.47Å |
| 368 | H | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.7 | -47.2 | 175.5 | -177.7 | -154 | 0 | 0 | 0 | 111.6 | L331 R364 S365 K366 A370 L371 L372 W387 S388 W392 | L331-H368 HydrophobicContact CD2-CB 3.96Å; R364-H368 VanDerWaalsContact O-CB 3.32Å; R364-H368 WeakPolarHBondContact O-CB 3.48Å; R364-H368 PolarHBondContact O-N 2.89Å; S365-H368 WeakPolarHBondContact O-CB 3.43Å; S365-H368 PolarHBondContact O-N 2.73Å; K366-H368 VanDerWaalsContact C-N 3.34Å; H368-A370 VanDerWaalsContact C-N 3.34Å; H368-A370 PolarHBondContact O-N 2.91Å; H368-L371 PolarHBondContact O-N 2.98Å; H368-L372 VanDerWaalsContact O-CG 3.29Å; H368-L372 WeakPolarHBondContact O-CG 3.42Å; H368-L372 PolarHBondContact O-N 3.37Å; H368-W387 PolarHBondContact NE2-O 2.75Å; H368-S388 PolarHBondContact CE1-O 2.87Å; H368-W392 HydrophobicContact CB-CH2 3.83Å; H368-W392 HydrophobicContact CB-CZ3 4.43Å; H368-W392 AromaticContact CG-CH2 3.71Å; H368-W392 AromaticContact ND1-CH2 3.59Å; H368-W392 AromaticContact ND1-CZ3 3.99Å |
| 369 | D | 96.4 | Very high | 94.8 | Very high | 55 Ų | 55 | 50.4 Ų | 50.4 | 29% | 0.294 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.3 | -43.8 | 176.5 | -70 | -44.8 | 0 | 0 | 0 | 111.2 | S365 K366 L371 L372 D373 R393 R399 | S365-D369 PolarHBondContact O-N 3.46Å; S365-D369 VanDerWaalsContact O-OD2 3.08Å; K366-D369 PolarHBondContact O-N 3.31Å; D369-L371 PolarHBondContact O-N 3.37Å; D369-L372 PolarHBondContact O-N 2.71Å; D369-D373 WeakPolarHBondContact O-CB 3.39Å; D369-D373 PolarHBondContact O-N 3.43Å; D369-R393 IonicContact OD1-NH1 3.46Å; D369-R393 IonicContact OD2-CZ 3.27Å; D369-R393 IonicContact OD2-NH1 3.77Å; D369-R393 PolarHBondContact OD2-NH1 2.95Å; D369-R393 IonicContact OD2-NH2 3.86Å; D369-R393 PolarHBondContact OD2-NH2 3.29Å; D369-R399 IonicContact OD1-NH2 3.85Å |
| 370 | A | 97.1 | Very high | 94.4 | Very high | 36 Ų | 36 | 41.1 Ų | 41.1 | 30% | 0.298 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.3 | -42.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | W324 K366 M367 H368 D373 Y374 | W324-A370 HydrophobicContact CZ2-CB 4.37Å; K366-A370 WeakPolarHBondContact O-CB 3.5Å; K366-A370 PolarHBondContact O-N 3.03Å; M367-A370 PolarHBondContact O-N 3.33Å; H368-A370 VanDerWaalsContact C-N 3.34Å; H368-A370 PolarHBondContact O-N 2.91Å; A370-D373 PolarHBondContact O-N 3.28Å; A370-Y374 WeakPolarHBondContact O-CB 3.47Å; A370-Y374 PolarHBondContact O-N 3.26Å |
| 371 | L | 97.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.4 | -47.2 | 175.9 | 173.9 | 57.5 | 0 | 0 | 0 | 111.2 | M302 R322 W324 L333 M367 H368 D369 D373 Y374 M375 | M302-L371 HydrophobicContact CG-CD1 3.95Å; M302-L371 HydrophobicContact SD-CD1 3.9Å; R322-L371 HydrophobicContact CB-CD1 4.2Å; R322-L371 HydrophobicContact CB-CD2 3.97Å; W324-L371 HydrophobicContact CB-CB 3.94Å; W324-L371 HydrophobicContact CB-CD1 4.18Å; W324-L371 HydrophobicContact CB-CD2 4.26Å; W324-L371 HydrophobicContact CB-CG 4.33Å; W324-L371 HydrophobicContact CD2-CB 4.31Å; W324-L371 HydrophobicContact CD2-CD1 4.47Å; W324-L371 HydrophobicContact CE3-CD1 3.95Å; W324-L371 HydrophobicContact CG-CB 4.06Å; L333-L371 HydrophobicContact CD1-CD2 3.77Å; L333-L371 HydrophobicContact CG-CD2 4.03Å; M367-L371 WeakPolarHBondContact O-CB 3.48Å; M367-L371 PolarHBondContact O-N 3.47Å; H368-L371 PolarHBondContact O-N 2.98Å; D369-L371 PolarHBondContact O-N 3.37Å; L371-D373 VanDerWaalsContact C-N 3.33Å; L371-D373 PolarHBondContact O-N 2.96Å; L371-Y374 PolarHBondContact O-N 2.8Å; L371-M375 HydrophobicContact CD1-CG 4.11Å; L371-M375 HydrophobicContact CD1-SD 4.29Å; L371-M375 HydrophobicContact CG-SD 4.21Å; L371-M375 VanDerWaalsContact O-CG 3.31Å; L371-M375 WeakPolarHBondContact O-CG 3.49Å; L371-M375 PolarHBondContact O-N 2.92Å |
| 372 | L | 94.7 | Very high | 93.5 | Very high | 10 Ų | 10 | 43.6 Ų | 43.6 | 5% | 0.052 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.4 | -40.8 | 179.4 | -64.8 | 176 | 0 | 0 | 0 | 111.6 | H368 D369 Y374 M375 D376 W387 R399 | H368-L372 VanDerWaalsContact O-CG 3.29Å; H368-L372 WeakPolarHBondContact O-CG 3.42Å; H368-L372 PolarHBondContact O-N 3.37Å; D369-L372 PolarHBondContact O-N 2.71Å; L372-Y374 VanDerWaalsContact C-N 3.33Å; L372-M375 HydrophobicContact CD2-SD 4.44Å; L372-M375 PolarHBondContact O-N 3.01Å; L372-D376 WeakPolarHBondContact O-CB 3.27Å; L372-D376 PolarHBondContact O-N 2.94Å; L372-W387 HydrophobicContact CD2-CB 3.63Å; L372-R399 VanDerWaalsContact CB-CZ 3.46Å |
| 373 | D | 92.3 | Very high | 92.8 | Very high | 88 Ų | 88 | 42.7 Ų | 42.7 | 47% | 0.471 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65.6 | -36.7 | 175.9 | -69 | -5.9 | 0 | 0 | 0 | 111.6 | D369 A370 L371 D376 K377 R399 | D369-D373 WeakPolarHBondContact O-CB 3.39Å; D369-D373 PolarHBondContact O-N 3.43Å; A370-D373 PolarHBondContact O-N 3.28Å; L371-D373 VanDerWaalsContact C-N 3.33Å; L371-D373 PolarHBondContact O-N 2.96Å; D373-D376 WeakPolarHBondContact O-CB 3.03Å; D373-D376 PolarHBondContact O-N 3.4Å; D373-K377 PolarHBondContact O-N 2.83Å; D373-R399 IonicContact OD1-CZ 3.49Å; D373-R399 VanDerWaalsContact OD1-CZ 3.29Å; D373-R399 IonicContact OD1-NH1 3.41Å; D373-R399 PolarHBondContact OD1-NH1 2.87Å; D373-R399 IonicContact OD1-NH2 3.91Å; D373-R399 PolarHBondContact OD1-NH2 2.8Å |
| 374 | Y | 93.8 | Very high | 92.2 | Very high | 24 Ų | 24 | 42.8 Ų | 42.8 | 9% | 0.094 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.4 | -46.5 | 175.1 | -172.4 | -101.8 | 0 | 0 | 0 | 112.2 | Y64 I269 M302 W324 A370 L371 L372 D376 K377 I378 | Y64-Y374 AromaticContact CE2-CE1 3.84Å; Y64-Y374 HydrophobicContact CE2-CE1 3.84Å; I269-Y374 WeakPolarHBondContact CD1-OH 3.44Å; M302-Y374 HydrophobicContact CB-CD1 3.89Å; M302-Y374 HydrophobicContact CB-CE1 3.78Å; M302-Y374 HydrophobicContact CE-CE1 4.36Å; M302-Y374 HydrophobicContact SD-CD1 4.01Å; M302-Y374 HydrophobicContact SD-CE1 4.3Å; W324-Y374 HydrophobicContact CE3-CD1 4.46Å; W324-Y374 HydrophobicContact CH2-CD1 4.14Å; W324-Y374 AromaticContact CH2-CD2 3.81Å; W324-Y374 HydrophobicContact CH2-CD2 3.81Å; W324-Y374 HydrophobicContact CH2-CE2 4.49Å; W324-Y374 AromaticContact CH2-CG 3.6Å; W324-Y374 HydrophobicContact CH2-CG 3.6Å; W324-Y374 AromaticContact CZ3-CD1 3.52Å; W324-Y374 HydrophobicContact CZ3-CD1 3.52Å; W324-Y374 HydrophobicContact CZ3-CD2 4.05Å; W324-Y374 HydrophobicContact CZ3-CE1 4.15Å; W324-Y374 AromaticContact CZ3-CG 3.45Å; W324-Y374 HydrophobicContact CZ3-CG 3.45Å; W324-Y374 VanDerWaalsContact CZ3-CG 3.45Å; A370-Y374 WeakPolarHBondContact O-CB 3.47Å; A370-Y374 PolarHBondContact O-N 3.26Å; L371-Y374 PolarHBondContact O-N 2.8Å; L372-Y374 VanDerWaalsContact C-N 3.33Å; Y374-D376 PolarHBondContact O-N 3.24Å; Y374-K377 HydrophobicContact CD2-CD 4.34Å; Y374-K377 HydrophobicContact CE2-CD 4.48Å; Y374-K377 WeakPolarHBondContact O-CB 2.88Å; Y374-K377 PolarHBondContact O-N 3.08Å; Y374-I378 HydrophobicContact CD1-CD1 4.24Å; Y374-I378 HydrophobicContact CD1-CG2 4.02Å; Y374-I378 HydrophobicContact CD2-CG2 4.32Å; Y374-I378 HydrophobicContact CE1-CD1 3.99Å; Y374-I378 HydrophobicContact CE1-CG2 3.53Å; Y374-I378 HydrophobicContact CE2-CG2 3.85Å; Y374-I378 HydrophobicContact CG-CG2 4.4Å; Y374-I378 VanDerWaalsContact CZ-CG2 3.43Å; Y374-I378 WeakPolarHBondContact O-CG1 3.3Å; Y374-I378 PolarHBondContact O-N 3.45Å |
| 375 | M | 92.7 | Very high | 91.9 | Very high | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.015 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -53.5 | -37.6 | 171.3 | -72.1 | 176.5 | 75.2 | 0 | 0 | 110.7 | M302 R322 L371 L372 R379 D380 W387 | M302-M375 HydrophobicContact SD-CG 4.11Å; R322-M375 HydrophobicContact CG-CE 4.16Å; R322-M375 HydrophobicContact CG-SD 4.13Å; L371-M375 HydrophobicContact CD1-CG 4.11Å; L371-M375 HydrophobicContact CD1-SD 4.29Å; L371-M375 HydrophobicContact CG-SD 4.21Å; L371-M375 VanDerWaalsContact O-CG 3.31Å; L371-M375 WeakPolarHBondContact O-CG 3.49Å; L371-M375 PolarHBondContact O-N 2.92Å; L372-M375 HydrophobicContact CD2-SD 4.44Å; L372-M375 PolarHBondContact O-N 3.01Å; M375-R379 PolarHBondContact O-N 2.96Å; M375-R379 VanDerWaalsContact O-N 3.12Å; M375-D380 HydrophobicContact CB-CB 3.87Å; M375-D380 HydrophobicContact CE-CB 4.11Å; M375-D380 HydrophobicContact CG-CB 4.21Å; M375-D380 PolarHBondContact O-N 3.27Å; M375-W387 HydrophobicContact CE-CD2 3.85Å; M375-W387 HydrophobicContact CE-CE3 4.46Å; M375-W387 HydrophobicContact CE-CG 3.97Å; M375-W387 HydrophobicContact CE-CZ2 4.41Å; M375-W387 HydrophobicContact SD-CD2 4.38Å; M375-W387 HydrophobicContact SD-CG 4.49Å |
| 376 | D | 87.4 | Confident | 91.7 | Very high | 27 Ų | 27 | 49.2 Ų | 49.2 | 14% | 0.144 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.8 | -50 | 174.3 | -87.2 | -35.1 | 0 | 0 | 0 | 112.7 | L372 D373 Y374 I378 R379 R399 R405 | L372-D376 WeakPolarHBondContact O-CB 3.27Å; L372-D376 PolarHBondContact O-N 2.94Å; D373-D376 WeakPolarHBondContact O-CB 3.03Å; D373-D376 PolarHBondContact O-N 3.4Å; Y374-D376 PolarHBondContact O-N 3.24Å; D376-I378 PolarHBondContact O-N 2.67Å; D376-R379 PolarHBondContact O-N 3.08Å; D376-R399 IonicContact OD2-NH1 3.58Å; D376-R399 PolarHBondContact OD2-NH1 2.69Å; D376-R405 VanDerWaalsContact CB-NH2 3.29Å; D376-R405 WeakPolarHBondContact O-CD 3.33Å; D376-R405 PolarHBondContact O-NE 3.01Å; D376-R405 PolarHBondContact O-NH1 3.24Å; D376-R405 IonicContact OD1-CZ 3.56Å; D376-R405 VanDerWaalsContact OD1-CZ 3.26Å; D376-R405 IonicContact OD1-NH1 2.88Å; D376-R405 PolarHBondContact OD1-NH1 3.41Å; D376-R405 IonicContact OD1-NH2 3.61Å; D376-R405 PolarHBondContact OD1-NH2 2.82Å; D376-R405 IonicContact OD2-NH2 3.7Å |
| 377 | K | 86.9 | Confident | 91.6 | Very high | 117 Ų | 117 | 42 Ų | 42 | 51% | 0.509 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -53.7 | -50.6 | 176.2 | 177.7 | -176.4 | 175.4 | -175.3 | 0 | 111.5 | E290 D373 Y374 R379 | E290-K377 IonicContact OE1-NZ 2.75Å; D373-K377 PolarHBondContact O-N 2.83Å; Y374-K377 HydrophobicContact CD2-CD 4.34Å; Y374-K377 HydrophobicContact CE2-CD 4.48Å; Y374-K377 WeakPolarHBondContact O-CB 2.88Å; Y374-K377 PolarHBondContact O-N 3.08Å; K377-R379 VanDerWaalsContact C-N 3.28Å; K377-R379 PolarHBondContact O-N 3.36Å |
| 378 | I | 88.6 | Confident | 91.4 | Very high | 10 Ų | 10 | 41.7 Ų | 41.7 | 5% | 0.051 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -77.4 | -14.6 | -175.2 | 70.6 | 173.4 | 0 | 0 | 0 | 112.9 | Y64 Q67 P288 M302 Y374 D376 D380 | Y64-I378 HydrophobicContact CD2-CD1 3.58Å; Y64-I378 HydrophobicContact CE2-CD1 3.79Å; Y64-I378 HydrophobicContact CG-CD1 4.41Å; Q67-I378 PolarHBondContact NE2-O 2.74Å; P288-I378 HydrophobicContact CB-CB 4.44Å; P288-I378 HydrophobicContact CB-CG2 3.66Å; P288-I378 HydrophobicContact CG-CG2 4.32Å; M302-I378 HydrophobicContact CE-CD1 3.4Å; M302-I378 VanDerWaalsContact CE-CD1 3.4Å; M302-I378 HydrophobicContact SD-CD1 4.23Å; Y374-I378 HydrophobicContact CD1-CD1 4.24Å; Y374-I378 HydrophobicContact CD1-CG2 4.02Å; Y374-I378 HydrophobicContact CD2-CG2 4.32Å; Y374-I378 HydrophobicContact CE1-CD1 3.99Å; Y374-I378 HydrophobicContact CE1-CG2 3.53Å; Y374-I378 HydrophobicContact CE2-CG2 3.85Å; Y374-I378 HydrophobicContact CG-CG2 4.4Å; Y374-I378 VanDerWaalsContact CZ-CG2 3.43Å; Y374-I378 WeakPolarHBondContact O-CG1 3.3Å; Y374-I378 PolarHBondContact O-N 3.45Å; D376-I378 PolarHBondContact O-N 2.67Å; I378-D380 HydrophobicContact CD1-CB 4.36Å; I378-D380 HydrophobicContact CG1-CB 4.26Å |
| 379 | R | 83.7 | Confident | 91.2 | Very high | 76 Ų | 76 | 45.1 Ų | 45.1 | 29% | 0.287 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 47.9 | -175.1 | -43.1 | 161.5 | -176.9 | -160.5 | -4.8 | 111.7 | Q67 M375 D376 K377 R405 P406 R407 | Q67-R379 PolarHBondContact NE2-O 2.87Å; M375-R379 PolarHBondContact O-N 2.96Å; M375-R379 VanDerWaalsContact O-N 3.12Å; D376-R379 PolarHBondContact O-N 3.08Å; K377-R379 VanDerWaalsContact C-N 3.28Å; K377-R379 PolarHBondContact O-N 3.36Å; R379-R405 HydrophobicContact CG-CB 3.74Å; R379-R405 HydrophobicContact CG-CG 4.25Å; R379-R405 PolarHBondContact NH1-O 2.83Å; R379-P406 PolarHBondContact NH1-O 3.12Å; R379-P406 PolarHBondContact NH2-O 3.45Å; R379-R407 VanDerWaalsContact NH1-CA 3.26Å |
| 380 | D | 90.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -54 | 124.2 | 175.2 | -167.3 | -52.4 | 0 | 0 | 0 | 109.6 | N66 R322 M375 I378 F382 R383 | N66-D380 PolarHBondContact ND2-OD2 2.99Å; R322-D380 IonicContact CZ-OD2 3.75Å; R322-D380 VanDerWaalsContact CZ-OD2 3.25Å; R322-D380 IonicContact NE-OD2 2.72Å; R322-D380 PolarHBondContact NE-OD2 2.53Å; R322-D380 IonicContact NH2-OD1 3.54Å; R322-D380 PolarHBondContact NH2-OD1 2.96Å; R322-D380 VanDerWaalsContact NH2-OD1 3.14Å; R322-D380 IonicContact NH2-OD2 2.81Å; R322-D380 PolarHBondContact NH2-OD2 3.19Å; M375-D380 HydrophobicContact CB-CB 3.87Å; M375-D380 HydrophobicContact CE-CB 4.11Å; M375-D380 HydrophobicContact CG-CB 4.21Å; M375-D380 PolarHBondContact O-N 3.27Å; I378-D380 HydrophobicContact CD1-CB 4.36Å; I378-D380 HydrophobicContact CG1-CB 4.26Å; D380-F382 PolarHBondContact O-N 2.89Å; D380-F382 WeakPolarHBondContact OD1-CA 3.31Å; D380-F382 WeakPolarHBondContact OD1-CB 3.38Å; D380-F382 PolarHBondContact OD1-N 2.83Å; D380-R383 WeakPolarHBondContact O-CG 3.32Å; D380-R383 PolarHBondContact O-N 3.12Å; D380-R383 PolarHBondContact O-NH1 3.32Å | ||
| 381 | P | 86.7 | Confident | 91.1 | Very high | 65 Ų | 65 | 47.2 Ų | 47.2 | 42% | 0.422 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -20.4 | -177.8 | 29 | -34.3 | 0 | 0 | 0 | 112.9 | N66 | N66-P381 HydrophobicContact CB-CG 3.83Å; N66-P381 VanDerWaalsContact CG-CD 3.48Å; N66-P381 WeakPolarHBondContact OD1-CD 3.46Å |
| 382 | F | 88.8 | Confident | 91.1 | Very high | 44 Ų | 44 | 48.4 Ų | 48.4 | 19% | 0.193 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -0.9 | 179.6 | -66.8 | -78.5 | 0 | 0 | 0 | 113.6 | N66 W71 N306 F318 D380 S384 W387 | N66-F382 HydrophobicContact CB-CD2 4.13Å; N66-F382 HydrophobicContact CB-CE2 3.93Å; W71-F382 HydrophobicContact CD2-CZ 4.34Å; W71-F382 HydrophobicContact CE3-CE2 4.47Å; W71-F382 AromaticContact CE3-CZ 3.81Å; W71-F382 HydrophobicContact CE3-CZ 3.81Å; W71-F382 HydrophobicContact CH2-CE1 4.44Å; W71-F382 HydrophobicContact CH2-CE2 4.22Å; W71-F382 AromaticContact CH2-CZ 3.66Å; W71-F382 HydrophobicContact CH2-CZ 3.66Å; W71-F382 HydrophobicContact CZ2-CE2 4.29Å; W71-F382 HydrophobicContact CZ2-CZ 4.18Å; W71-F382 HydrophobicContact CZ3-CE1 4.24Å; W71-F382 HydrophobicContact CZ3-CE2 4.32Å; W71-F382 AromaticContact CZ3-CZ 3.47Å; W71-F382 HydrophobicContact CZ3-CZ 3.47Å; W71-F382 VanDerWaalsContact CZ3-CZ 3.47Å; N306-F382 HydrophobicContact CB-CE2 3.88Å; N306-F382 HydrophobicContact CB-CZ 4.12Å; N306-F382 WeakPolarHBondContact OD1-CD2 3.3Å; N306-F382 WeakPolarHBondContact OD1-CE2 3.42Å; F318-F382 HydrophobicContact CE2-CE1 4.22Å; F318-F382 HydrophobicContact CE2-CZ 4.38Å; F318-F382 HydrophobicContact CZ-CD1 4.34Å; F318-F382 AromaticContact CZ-CE1 3.78Å; F318-F382 HydrophobicContact CZ-CE1 3.78Å; F318-F382 HydrophobicContact CZ-CZ 4.38Å; D380-F382 PolarHBondContact O-N 2.89Å; D380-F382 WeakPolarHBondContact OD1-CA 3.31Å; D380-F382 WeakPolarHBondContact OD1-CB 3.38Å; D380-F382 PolarHBondContact OD1-N 2.83Å; F382-S384 PolarHBondContact O-N 3.1Å; F382-S384 PolarHBondContact O-OG 3.38Å; F382-W387 HydrophobicContact CB-CZ2 4.41Å; F382-W387 PolarHBondContact O-NE1 2.92Å |
| 383 | R | 82.7 | Confident | 91.1 | Very high | 109 Ų | 109 | 49 Ų | 49 | 41% | 0.411 | 24% | 0.237 | S | C | . | . | trans | -53 | 132.1 | 177.4 | 77.6 | -173.9 | -178.5 | -72.9 | -3.9 | 110.4 | D380 | D380-R383 WeakPolarHBondContact O-CG 3.32Å; D380-R383 PolarHBondContact O-N 3.12Å; D380-R383 PolarHBondContact O-NH1 3.32Å | ||
| 384 | S | 87.2 | Confident | 91.1 | Very high | 41 Ų | 41 | 54.5 Ų | 54.5 | 29% | 0.287 | 26% | 0.256 | S | S | . | . | trans | -168.7 | 164.7 | -174.8 | 60.3 | 0 | 0 | 0 | 0 | 108.9 | F382 Q386 W387 | F382-S384 PolarHBondContact O-N 3.1Å; F382-S384 PolarHBondContact O-OG 3.38Å; S384-Q386 PolarHBondContact O-N 3.27Å; S384-Q386 VanDerWaalsContact O-N 3.16Å; S384-Q386 PolarHBondContact OG-OE1 3.07Å; S384-Q386 VanDerWaalsContact OG-OE1 3.04Å; S384-W387 PolarHBondContact O-N 2.59Å | ||
| 385 | Y | 91.4 | Very high | 91.1 | Very high | 89 Ų | 89 | 58.6 Ų | 58.6 | 35% | 0.349 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.5 | -21.8 | -175.2 | 76.4 | -82.8 | 0 | 0 | 0 | 113 | W387 S388 L389 W400 | Y385-W387 PolarHBondContact O-N 3.4Å; Y385-S388 WeakPolarHBondContact CA-OG 3.37Å; Y385-S388 PolarHBondContact O-N 3.13Å; Y385-S388 PolarHBondContact O-OG 2.98Å; Y385-L389 HydrophobicContact CD2-CD1 3.77Å; Y385-L389 HydrophobicContact CD2-CG 4.23Å; Y385-L389 HydrophobicContact CE2-CD1 4.25Å; Y385-L389 PolarHBondContact O-N 3.18Å; Y385-W400 AromaticContact CD1-CE3 3.53Å; Y385-W400 HydrophobicContact CD1-CE3 3.53Å; Y385-W400 AromaticContact CD1-CZ3 3.4Å; Y385-W400 HydrophobicContact CD1-CZ3 3.4Å; Y385-W400 HydrophobicContact CE1-CE3 4.28Å; Y385-W400 AromaticContact CE1-CZ3 3.73Å; Y385-W400 HydrophobicContact CE1-CZ3 3.73Å; Y385-W400 HydrophobicContact CG-CE3 4.14Å; Y385-W400 HydrophobicContact CG-CZ3 4.41Å |
| 386 | Q | 93.9 | Very high | 91.1 | Very high | 77 Ų | 77 | 59.6 Ų | 59.6 | 36% | 0.36 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.5 | -28.5 | 178 | -65.2 | 90.9 | -37.8 | 0 | 0 | 112.7 | L335 S384 R390 | L335-Q386 HydrophobicContact CD1-CB 4.33Å; L335-Q386 HydrophobicContact CD2-CB 4.16Å; S384-Q386 PolarHBondContact O-N 3.27Å; S384-Q386 VanDerWaalsContact O-N 3.16Å; S384-Q386 PolarHBondContact OG-OE1 3.07Å; S384-Q386 VanDerWaalsContact OG-OE1 3.04Å; Q386-R390 PolarHBondContact O-NH1 2.72Å |
| 387 | W | 95 | Very high | 91.2 | Very high | 2 Ų | 2 | 66.5 Ų | 66.5 | 1% | 0.008 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -72.4 | -35.6 | 173.4 | -62.2 | 97.6 | 0 | 0 | 0 | 111.8 | P320 R322 L333 L335 H368 L372 M375 F382 S384 Y385 | P320-W387 HydrophobicContact CB-CH2 4.31Å; P320-W387 HydrophobicContact CB-CZ2 4.29Å; R322-W387 HydrophobicContact CB-CE3 4.3Å; R322-W387 HydrophobicContact CB-CH2 4.12Å; R322-W387 HydrophobicContact CB-CZ3 3.65Å; R322-W387 HydrophobicContact CG-CE3 4.11Å; R322-W387 HydrophobicContact CG-CH2 3.48Å; R322-W387 VanDerWaalsContact CG-CH2 3.48Å; R322-W387 HydrophobicContact CG-CZ2 4.11Å; R322-W387 HydrophobicContact CG-CZ3 3.47Å; R322-W387 VanDerWaalsContact CG-CZ3 3.47Å; L333-W387 HydrophobicContact CB-CE3 4.1Å; L333-W387 HydrophobicContact CB-CZ3 4.02Å; L333-W387 HydrophobicContact CD1-CE3 4.31Å; L335-W387 HydrophobicContact CD1-CD2 4.09Å; L335-W387 HydrophobicContact CD1-CH2 4.07Å; L335-W387 HydrophobicContact CD1-CZ2 3.57Å; L335-W387 HydrophobicContact CD2-CD2 3.75Å; L335-W387 HydrophobicContact CD2-CE3 3.7Å; L335-W387 HydrophobicContact CD2-CG 4.22Å; L335-W387 HydrophobicContact CD2-CH2 4.32Å; L335-W387 HydrophobicContact CD2-CZ2 4.4Å; L335-W387 HydrophobicContact CD2-CZ3 3.98Å; L335-W387 HydrophobicContact CG-CD2 4.15Å; L335-W387 HydrophobicContact CG-CE3 4.15Å; L335-W387 HydrophobicContact CG-CH2 3.84Å; L335-W387 HydrophobicContact CG-CZ2 3.87Å; L335-W387 HydrophobicContact CG-CZ3 3.98Å; H368-W387 PolarHBondContact NE2-O 2.75Å; L372-W387 HydrophobicContact CD2-CB 3.63Å; M375-W387 HydrophobicContact CE-CD2 3.85Å; M375-W387 HydrophobicContact CE-CE3 4.46Å; M375-W387 HydrophobicContact CE-CG 3.97Å; M375-W387 HydrophobicContact CE-CZ2 4.41Å; M375-W387 HydrophobicContact SD-CD2 4.38Å; M375-W387 HydrophobicContact SD-CG 4.49Å; F382-W387 HydrophobicContact CB-CZ2 4.41Å; F382-W387 PolarHBondContact O-NE1 2.92Å; S384-W387 PolarHBondContact O-N 2.59Å; Y385-W387 PolarHBondContact O-N 3.4Å |
| 388 | S | 94.1 | Very high | 91.4 | Very high | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.014 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -80.1 | -30.2 | 179.7 | 56.5 | 0 | 0 | 0 | 0 | 113.9 | H368 Y385 A396 P398 R399 | H368-S388 PolarHBondContact CE1-O 2.87Å; Y385-S388 WeakPolarHBondContact CA-OG 3.37Å; Y385-S388 PolarHBondContact O-N 3.13Å; Y385-S388 PolarHBondContact O-OG 2.98Å; S388-A396 VanDerWaalsContact O-CB 3.3Å; S388-A396 WeakPolarHBondContact O-CB 3.48Å; S388-P398 WeakPolarHBondContact OG-CA 3.28Å; S388-R399 PolarHBondContact OG-N 2.62Å |
| 389 | L | 94.9 | Very high | 91.2 | Very high | 72 Ų | 72 | 64.2 Ų | 64.2 | 38% | 0.377 | 31% | 0.305 | S | S | . | . | trans | -97.5 | 99.2 | -179.3 | -62.8 | -168 | 0 | 0 | 0 | 110.4 | Y385 P398 | Y385-L389 HydrophobicContact CD2-CD1 3.77Å; Y385-L389 HydrophobicContact CD2-CG 4.23Å; Y385-L389 HydrophobicContact CE2-CD1 4.25Å; Y385-L389 PolarHBondContact O-N 3.18Å; L389-P398 HydrophobicContact CD1-CB 4.15Å; L389-P398 HydrophobicContact CD2-CB 4.25Å; L389-P398 HydrophobicContact CG-CB 4.22Å | ||
| 390 | R | 96.4 | Very high | 91.1 | Very high | 28 Ų | 28 | 66.6 Ų | 66.6 | 11% | 0.106 | 31% | 0.314 | C | S | . | . | trans | -113.3 | 147.3 | 177.7 | -53.4 | -50.3 | -57.3 | 165.4 | -5.1 | 111.2 | L333 N334 D339 Q386 W392 R393 | L333-R390 HydrophobicContact CD2-CG 4.49Å; N334-R390 PolarHBondContact O-NH2 3.47Å; D339-R390 IonicContact OD1-CZ 2.8Å; D339-R390 IonicContact OD1-NE 2.9Å; D339-R390 PolarHBondContact OD1-NE 3.46Å; D339-R390 IonicContact OD1-NH2 3.01Å; D339-R390 PolarHBondContact OD1-NH2 2.94Å; D339-R390 IonicContact OD2-CZ 3.43Å; D339-R390 IonicContact OD2-NE 3.55Å; D339-R390 PolarHBondContact OD2-NE 2.84Å; D339-R390 IonicContact OD2-NH2 3.57Å; D339-R390 PolarHBondContact OD2-NH2 3.44Å; D339-R390 VanDerWaalsContact OD2-NH2 3.08Å; Q386-R390 PolarHBondContact O-NH1 2.72Å; R390-W392 HydrophobicContact CB-CD2 4.07Å; R390-W392 HydrophobicContact CB-CG 4.48Å; R390-W392 HydrophobicContact CB-CH2 4.44Å; R390-W392 HydrophobicContact CB-CZ2 3.78Å; R390-W392 HydrophobicContact CG-CH2 4.4Å; R390-W392 HydrophobicContact CG-CZ2 3.78Å; R390-W392 PolarHBondContact O-N 3.27Å; R390-W392 VanDerWaalsContact O-N 3.13Å; R390-R393 HydrophobicContact CB-CB 4.29Å; R390-R393 PolarHBondContact O-N 3.36Å | ||
| 391 | P | 94.9 | Very high | 90.1 | Very high | 107 Ų | 107 | 71 Ų | 71 | 70% | 0.695 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -34.9 | -177 | -27.8 | 35.6 | 0 | 0 | 0 | 114.6 | ||
| 392 | W | 96.3 | Very high | 89 | Confident | 25 Ų | 25 | 68.5 Ų | 68.5 | 10% | 0.095 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -7.9 | 180 | 51.5 | -101.9 | 0 | 0 | 0 | 114 | L331 L333 D339 I355 R364 H368 R390 | L331-W392 HydrophobicContact CD1-CZ2 4.41Å; L333-W392 HydrophobicContact CD2-CZ2 3.8Å; D339-W392 PolarHBondContact OD2-NE1 2.94Å; I355-W392 HydrophobicContact CD1-CD2 4.44Å; I355-W392 HydrophobicContact CD1-CZ2 4.25Å; I355-W392 HydrophobicContact CG1-CG 4.38Å; R364-W392 VanDerWaalsContact CD-CE3 3.49Å; R364-W392 HydrophobicContact CG-CD2 4.44Å; R364-W392 HydrophobicContact CG-CE3 3.96Å; R364-W392 HydrophobicContact CG-CH2 3.84Å; R364-W392 HydrophobicContact CG-CZ2 4.34Å; R364-W392 HydrophobicContact CG-CZ3 3.61Å; R364-W392 PolarHBondContact NH2-O 3.27Å; R364-W392 VanDerWaalsContact NH2-O 3.13Å; H368-W392 HydrophobicContact CB-CH2 3.83Å; H368-W392 HydrophobicContact CB-CZ3 4.43Å; H368-W392 AromaticContact CG-CH2 3.71Å; H368-W392 AromaticContact ND1-CH2 3.59Å; H368-W392 AromaticContact ND1-CZ3 3.99Å; R390-W392 HydrophobicContact CB-CD2 4.07Å; R390-W392 HydrophobicContact CB-CG 4.48Å; R390-W392 HydrophobicContact CB-CH2 4.44Å; R390-W392 HydrophobicContact CB-CZ2 3.78Å; R390-W392 HydrophobicContact CG-CH2 4.4Å; R390-W392 HydrophobicContact CG-CZ2 3.78Å; R390-W392 PolarHBondContact O-N 3.27Å; R390-W392 VanDerWaalsContact O-N 3.13Å |
| 393 | R | 96 | Very high | 87.6 | Confident | 24 Ų | 24 | 67.6 Ų | 67.6 | 9% | 0.091 | 32% | 0.323 | C | S | . | . | trans | -110.5 | 71.7 | -177.9 | -164.7 | 70.6 | -169.5 | -104.4 | 8.6 | 111.5 | S365 D369 R390 D395 A396 | S365-R393 VanDerWaalsContact C-NH1 3.28Å; S365-R393 PolarHBondContact O-NH1 3.2Å; S365-R393 WeakPolarHBondContact OG-CD 3.31Å; S365-R393 PolarHBondContact OG-NE 3.5Å; D369-R393 IonicContact OD1-NH1 3.46Å; D369-R393 IonicContact OD2-CZ 3.27Å; D369-R393 IonicContact OD2-NH1 3.77Å; D369-R393 PolarHBondContact OD2-NH1 2.95Å; D369-R393 IonicContact OD2-NH2 3.86Å; D369-R393 PolarHBondContact OD2-NH2 3.29Å; R390-R393 HydrophobicContact CB-CB 4.29Å; R390-R393 PolarHBondContact O-N 3.36Å; R393-D395 VanDerWaalsContact C-N 3.25Å; R393-D395 VanDerWaalsContact CD-OD1 3.27Å; R393-D395 WeakPolarHBondContact CD-OD1 3.19Å; R393-D395 IonicContact CZ-OD2 2.86Å; R393-D395 IonicContact NE-OD1 2.98Å; R393-D395 PolarHBondContact NE-OD1 2.96Å; R393-D395 IonicContact NE-OD2 3.22Å; R393-D395 PolarHBondContact NE-OD2 3.13Å; R393-D395 IonicContact NH2-OD2 3.51Å; R393-D395 PolarHBondContact NH2-OD2 3.06Å; R393-D395 PolarHBondContact O-N 3.34Å; R393-A396 HydrophobicContact CB-CB 4.18Å; R393-A396 HydrophobicContact CG-CB 3.37Å; R393-A396 PolarHBondContact O-N 2.92Å | ||
| 394 | K | 91.8 | Very high | 86.5 | Confident | 202 Ų | 202 | 66.7 Ų | 66.7 | 88% | 0.878 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -22 | -173.6 | -61.6 | -176.7 | -178.4 | 178 | 0 | 114.4 | ||
| 395 | D | 92.7 | Very high | 85.5 | Confident | 110 Ų | 110 | 67.3 Ų | 67.3 | 59% | 0.588 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -12.7 | -179.1 | 63.7 | -51.9 | 0 | 0 | 0 | 113.5 | R393 | R393-D395 VanDerWaalsContact C-N 3.25Å; R393-D395 VanDerWaalsContact CD-OD1 3.27Å; R393-D395 WeakPolarHBondContact CD-OD1 3.19Å; R393-D395 IonicContact CZ-OD2 2.86Å; R393-D395 IonicContact NE-OD1 2.98Å; R393-D395 PolarHBondContact NE-OD1 2.96Å; R393-D395 IonicContact NE-OD2 3.22Å; R393-D395 PolarHBondContact NE-OD2 3.13Å; R393-D395 IonicContact NH2-OD2 3.51Å; R393-D395 PolarHBondContact NH2-OD2 3.06Å; R393-D395 PolarHBondContact O-N 3.34Å |
| 396 | A | 93.4 | Very high | 84.3 | Confident | 24 Ų | 24 | 63.4 Ų | 63.4 | 20% | 0.198 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 141.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S388 R393 | S388-A396 VanDerWaalsContact O-CB 3.3Å; S388-A396 WeakPolarHBondContact O-CB 3.48Å; R393-A396 HydrophobicContact CB-CB 4.18Å; R393-A396 HydrophobicContact CG-CB 3.37Å; R393-A396 PolarHBondContact O-N 2.92Å |
| 397 | R | 89.8 | Confident | 83.4 | Confident | 172 Ų | 172 | 63.8 Ų | 63.8 | 65% | 0.649 | 30% | 0.301 | S | S | * | . | P | Polyproline II helix | trans | -95.4 | 147.3 | 171.7 | -63 | -169.1 | -176.6 | -174.1 | 4.4 | 110.7 | R399 F437 | R397-R399 PolarHBondContact O-N 2.7Å; R397-F437 VanDerWaalsContact CD-OXT 3.31Å; R397-F437 WeakPolarHBondContact CD-OXT 3.26Å; R397-F437 PolarHBondContact NH1-OXT 3.03Å |
| 398 | P | 90 | Very high | 82.5 | Confident | 34 Ų | 34 | 64.1 Ų | 64.1 | 22% | 0.221 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 124.1 | 176 | 24 | -30.4 | 0 | 0 | 0 | 111 | S388 L389 W400 F437 | S388-P398 WeakPolarHBondContact OG-CA 3.28Å; L389-P398 HydrophobicContact CD1-CB 4.15Å; L389-P398 HydrophobicContact CD2-CB 4.25Å; L389-P398 HydrophobicContact CG-CB 4.22Å; P398-W400 PolarHBondContact O-N 2.82Å; P398-W400 VanDerWaalsContact O-N 3.17Å; P398-F437 HydrophobicContact CB-CD2 4.26Å; P398-F437 HydrophobicContact CG-CB 3.9Å; P398-F437 HydrophobicContact CG-CD1 4.25Å; P398-F437 HydrophobicContact CG-CD2 3.75Å; P398-F437 HydrophobicContact CG-CE2 4.3Å; P398-F437 HydrophobicContact CG-CG 3.71Å |
| 399 | R | 86 | Confident | 81.7 | Confident | 46 Ų | 46 | 73.1 Ų | 73.1 | 17% | 0.174 | 35% | 0.346 | C | S | . | . | trans | -82 | 91.7 | 169.9 | -65.3 | -171.2 | -178.3 | -154.9 | 5.7 | 109.3 | D369 L372 D373 D376 S388 R397 | D369-R399 IonicContact OD1-NH2 3.85Å; L372-R399 VanDerWaalsContact CB-CZ 3.46Å; D373-R399 IonicContact OD1-CZ 3.49Å; D373-R399 VanDerWaalsContact OD1-CZ 3.29Å; D373-R399 IonicContact OD1-NH1 3.41Å; D373-R399 PolarHBondContact OD1-NH1 2.87Å; D373-R399 IonicContact OD1-NH2 3.91Å; D373-R399 PolarHBondContact OD1-NH2 2.8Å; D376-R399 IonicContact OD2-NH1 3.58Å; D376-R399 PolarHBondContact OD2-NH1 2.69Å; S388-R399 PolarHBondContact OG-N 2.62Å; R397-R399 PolarHBondContact O-N 2.7Å | ||
| 400 | W | 80.1 | Confident | 81.2 | Confident | 125 Ų | 125 | 71.2 Ų | 71.2 | 47% | 0.473 | 34% | 0.336 | S | S | . | . | trans | -114.4 | 134 | 177.8 | -170.3 | -89.1 | 0 | 0 | 0 | 110.7 | Y385 P398 K436 F437 | Y385-W400 AromaticContact CD1-CE3 3.53Å; Y385-W400 HydrophobicContact CD1-CE3 3.53Å; Y385-W400 AromaticContact CD1-CZ3 3.4Å; Y385-W400 HydrophobicContact CD1-CZ3 3.4Å; Y385-W400 HydrophobicContact CE1-CE3 4.28Å; Y385-W400 AromaticContact CE1-CZ3 3.73Å; Y385-W400 HydrophobicContact CE1-CZ3 3.73Å; Y385-W400 HydrophobicContact CG-CE3 4.14Å; Y385-W400 HydrophobicContact CG-CZ3 4.41Å; P398-W400 PolarHBondContact O-N 2.82Å; P398-W400 VanDerWaalsContact O-N 3.17Å; W400-K436 PolarHBondContact O-N 2.63Å; W400-F437 HydrophobicContact CB-CD2 3.66Å; W400-F437 HydrophobicContact CB-CE2 3.46Å; W400-F437 VanDerWaalsContact CB-CE2 3.46Å; W400-F437 AromaticContact CG-CE2 3.94Å; W400-F437 HydrophobicContact CG-CE2 3.94Å | ||
| 401 | M | 69.9 | Low | 80.5 | Confident | 92 Ų | 92 | 73.4 Ų | 73.4 | 45% | 0.453 | 37% | 0.367 | S | S | . | . | S | Bend | trans | 61.4 | -172 | -164.2 | -53.7 | -86.1 | -75.6 | 0 | 0 | 111.2 | K433 K436 | M401-K433 HydrophobicContact CE-CD 3.73Å; M401-K436 HydrophobicContact CG-CD 4.12Å; M401-K436 HydrophobicContact CG-CG 4.22Å |
| 402 | G | 63 | Low | 80.1 | Confident | 14 Ų | 14 | 71.1 Ų | 71.1 | 14% | 0.144 | 35% | 0.345 | C | S | . | . | trans | 157.3 | -178.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | F404 K433 | G402-F404 PolarHBondContact O-N 3.05Å; G402-K433 CarbonylContact C-O 2.93Å; G402-K433 WeakPolarHBondContact O-CB 3.34Å | ||
| 403 | A | 59.2 | Low | 79.2 | Confident | 25 Ų | 25 | 70.5 Ų | 70.5 | 21% | 0.207 | 35% | 0.345 | C | S | . | . | trans | -49.9 | 131.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | R405 V430 E431 | A403-R405 HydrophobicContact CB-CG 4.09Å; A403-R405 WeakPolarHBondContact O-CG 3.24Å; A403-R405 PolarHBondContact O-N 2.95Å; A403-V430 HydrophobicContact CB-CG1 4.28Å; A403-E431 WeakPolarHBondContact CA-O 3.44Å | ||
| 404 | F | 61 | Low | 78 | Confident | 89 Ų | 89 | 71.3 Ų | 71.3 | 39% | 0.39 | 35% | 0.353 | S | S | . | . | trans | -67.9 | 119.2 | 166.3 | 179.4 | -106.5 | 0 | 0 | 0 | 107.7 | G402 P406 K429 V430 E431 | G402-F404 PolarHBondContact O-N 3.05Å; F404-P406 HydrophobicContact CD1-CG 4.07Å; F404-P406 HydrophobicContact CE1-CB 3.96Å; F404-P406 HydrophobicContact CE1-CG 3.76Å; F404-P406 HydrophobicContact CZ-CB 4.33Å; F404-P406 WeakPolarHBondContact O-CD 3.39Å; F404-K429 WeakPolarHBondContact CD1-O 3.28Å; F404-V430 WeakPolarHBondContact O-CG1 3.22Å; F404-E431 HydrophobicContact CB-CB 3.89Å; F404-E431 PolarHBondContact N-O 2.79Å | ||
| 405 | R | 65.7 | Low | 77 | Confident | 55 Ų | 55 | 65.7 Ų | 65.7 | 21% | 0.208 | 34% | 0.336 | C | S | . | . | trans | -122.8 | 69.6 | -169 | -67.1 | 174 | -161.7 | 139.1 | 6.6 | 111.7 | D376 R379 A403 | D376-R405 VanDerWaalsContact CB-NH2 3.29Å; D376-R405 WeakPolarHBondContact O-CD 3.33Å; D376-R405 PolarHBondContact O-NE 3.01Å; D376-R405 PolarHBondContact O-NH1 3.24Å; D376-R405 IonicContact OD1-CZ 3.56Å; D376-R405 VanDerWaalsContact OD1-CZ 3.26Å; D376-R405 IonicContact OD1-NH1 2.88Å; D376-R405 PolarHBondContact OD1-NH1 3.41Å; D376-R405 IonicContact OD1-NH2 3.61Å; D376-R405 PolarHBondContact OD1-NH2 2.82Å; D376-R405 IonicContact OD2-NH2 3.7Å; R379-R405 HydrophobicContact CG-CB 3.74Å; R379-R405 HydrophobicContact CG-CG 4.25Å; R379-R405 PolarHBondContact NH1-O 2.83Å; A403-R405 HydrophobicContact CB-CG 4.09Å; A403-R405 WeakPolarHBondContact O-CG 3.24Å; A403-R405 PolarHBondContact O-N 2.95Å | ||
| 406 | P | 67.2 | Low | 76 | Confident | 7 Ų | 7 | 62.4 Ų | 62.4 | 5% | 0.045 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 150.1 | 178.4 | 33.2 | -36.7 | 0 | 0 | 0 | 110 | R379 F404 V416 V428 | R379-P406 PolarHBondContact NH1-O 3.12Å; R379-P406 PolarHBondContact NH2-O 3.45Å; F404-P406 HydrophobicContact CD1-CG 4.07Å; F404-P406 HydrophobicContact CE1-CB 3.96Å; F404-P406 HydrophobicContact CE1-CG 3.76Å; F404-P406 HydrophobicContact CZ-CB 4.33Å; F404-P406 WeakPolarHBondContact O-CD 3.39Å; P406-V416 HydrophobicContact CB-CB 4.05Å; P406-V416 HydrophobicContact CB-CG1 4.02Å; P406-V416 HydrophobicContact CB-CG2 3.73Å; P406-V428 HydrophobicContact CB-CG1 4.43Å; P406-V428 HydrophobicContact CB-CG2 4.05Å; P406-V428 HydrophobicContact CG-CB 3.68Å; P406-V428 HydrophobicContact CG-CG1 3.09Å; P406-V428 HydrophobicContact CG-CG2 3.43Å; P406-V428 VanDerWaalsContact CG-CG2 3.43Å |
| 407 | R | 74.1 | Confident | 75.1 | Confident | 84 Ų | 84 | 68.4 Ų | 68.4 | 32% | 0.317 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 136.6 | -179.7 | -60.9 | -166.7 | 179.1 | -161.4 | -0.4 | 110.8 | R379 P414 V416 | R379-R407 VanDerWaalsContact NH1-CA 3.26Å; R407-P414 VanDerWaalsContact NH1-CD 3.31Å; R407-V416 HydrophobicContact CB-CG2 3.92Å; R407-V416 HydrophobicContact CG-CG2 4.3Å; R407-V416 VanDerWaalsContact N-CG2 3.3Å |
| 408 | P | 76.1 | Confident | 74.3 | Confident | 9 Ų | 9 | 63.1 Ų | 63.1 | 6% | 0.058 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 157.7 | -178.8 | 29.7 | -35.8 | 0 | 0 | 0 | 110.8 | E285 I286 D410 S413 | E285-P408 HydrophobicContact CB-CB 3.63Å; E285-P408 HydrophobicContact CB-CG 3.67Å; E285-P408 HydrophobicContact CG-CB 4.42Å; E285-P408 WeakPolarHBondContact OE2-CB 3.38Å; I286-P408 HydrophobicContact CB-CG 4.22Å; P408-D410 VanDerWaalsContact C-N 3.28Å; P408-D410 HydrophobicContact CG-CB 4.44Å; P408-D410 WeakPolarHBondContact CG-OD2 3.32Å; P408-D410 PolarHBondContact O-N 3.21Å; P408-S413 WeakPolarHBondContact O-CB 3.26Å |
| 409 | Q | 77.3 | Confident | 73.6 | Confident | 192 Ų | 192 | 71.8 Ų | 71.8 | 90% | 0.897 | 35% | 0.351 | S | S | * | . | trans | -90.6 | 67.7 | 174.6 | -169.4 | 178.1 | -11.6 | 0 | 0 | 109.5 | ||||
| 410 | D | 83.4 | Confident | 73.4 | Confident | 31 Ų | 31 | 76.3 Ų | 76.3 | 17% | 0.166 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -101.1 | 4.8 | -174.8 | 63.4 | 7 | 0 | 0 | 0 | 113.7 | P284 E285 I286 P408 Y412 S413 | P284-D410 HydrophobicContact CB-CB 4.07Å; E285-D410 HydrophobicContact CB-CB 4.41Å; E285-D410 PolarHBondContact N-OD2 3.23Å; I286-D410 VanDerWaalsContact CB-OD2 3.24Å; I286-D410 WeakPolarHBondContact CB-OD2 3.27Å; I286-D410 VanDerWaalsContact CG2-OD2 3.28Å; I286-D410 WeakPolarHBondContact CG2-OD2 3.49Å; I286-D410 PolarHBondContact N-OD2 2.77Å; P408-D410 VanDerWaalsContact C-N 3.28Å; P408-D410 HydrophobicContact CG-CB 4.44Å; P408-D410 WeakPolarHBondContact CG-OD2 3.32Å; P408-D410 PolarHBondContact O-N 3.21Å; D410-Y412 VanDerWaalsContact C-N 3.26Å; D410-Y412 WeakPolarHBondContact O-CD2 3.39Å; D410-Y412 PolarHBondContact O-N 2.91Å; D410-Y412 PolarHBondContact OD1-N 2.89Å; D410-S413 WeakPolarHBondContact OD1-CB 3.32Å; D410-S413 PolarHBondContact OD1-N 3.47Å; D410-S413 PolarHBondContact OD1-OG 3.2Å; D410-S413 PolarHBondContact OD2-OG 3.26Å |
| 411 | G | 83.7 | Confident | 73.6 | Confident | 74 Ų | 74 | 74.5 Ų | 74.5 | 76% | 0.763 | 38% | 0.382 | S | S | * | . | S | Bend | trans | 83.8 | -13.2 | -178 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 412 | Y | 85.2 | Confident | 74 | Confident | 59 Ų | 59 | 71.8 Ų | 71.8 | 23% | 0.231 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -112.8 | -27.7 | 179.9 | -65.7 | -82.4 | 0 | 0 | 0 | 112.5 | S82 Y87 P284 D410 | S82-Y412 WeakPolarHBondContact OG-CD1 3.42Å; Y87-Y412 AromaticContact CD1-CD1 3.71Å; Y87-Y412 HydrophobicContact CD1-CD1 3.71Å; Y87-Y412 HydrophobicContact CD1-CD2 4.19Å; Y87-Y412 AromaticContact CD1-CE1 3.38Å; Y87-Y412 HydrophobicContact CD1-CE1 3.38Å; Y87-Y412 AromaticContact CD1-CE2 3.89Å; Y87-Y412 HydrophobicContact CD1-CE2 3.89Å; Y87-Y412 HydrophobicContact CD1-CG 4.09Å; Y87-Y412 AromaticContact CD1-CZ 3.46Å; Y87-Y412 VanDerWaalsContact CD1-CZ 3.46Å; Y87-Y412 AromaticContact CE1-CD1 3.3Å; Y87-Y412 HydrophobicContact CE1-CD1 3.3Å; Y87-Y412 AromaticContact CE1-CD2 3.69Å; Y87-Y412 HydrophobicContact CE1-CD2 3.69Å; Y87-Y412 AromaticContact CE1-CE1 3.53Å; Y87-Y412 HydrophobicContact CE1-CE1 3.53Å; Y87-Y412 AromaticContact CE1-CE2 3.89Å; Y87-Y412 HydrophobicContact CE1-CE2 3.89Å; Y87-Y412 AromaticContact CE1-CG 3.37Å; Y87-Y412 HydrophobicContact CE1-CG 3.37Å; Y87-Y412 AromaticContact CE1-CZ 3.8Å; Y87-Y412 HydrophobicContact CG-CE1 4.42Å; P284-Y412 HydrophobicContact CB-CD2 3.88Å; P284-Y412 HydrophobicContact CB-CE2 4.49Å; P284-Y412 HydrophobicContact CG-CD2 3.46Å; P284-Y412 VanDerWaalsContact CG-CD2 3.46Å; P284-Y412 HydrophobicContact CG-CE2 3.63Å; P284-Y412 HydrophobicContact CG-CG 4.35Å; D410-Y412 VanDerWaalsContact C-N 3.26Å; D410-Y412 WeakPolarHBondContact O-CD2 3.39Å; D410-Y412 PolarHBondContact O-N 2.91Å; D410-Y412 PolarHBondContact OD1-N 2.89Å |
| 413 | S | 78.1 | Confident | 74.8 | Confident | 13 Ų | 13 | 76 Ų | 76 | 9% | 0.091 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -73.1 | 132.7 | 171.1 | -77.1 | 0 | 0 | 0 | 0 | 111 | I286 P408 D410 V415 | I286-S413 WeakPolarHBondContact CB-OG 3.33Å; P408-S413 WeakPolarHBondContact O-CB 3.26Å; D410-S413 WeakPolarHBondContact OD1-CB 3.32Å; D410-S413 PolarHBondContact OD1-N 3.47Å; D410-S413 PolarHBondContact OD1-OG 3.2Å; D410-S413 PolarHBondContact OD2-OG 3.26Å; S413-V415 PolarHBondContact O-N 3.38Å |
| 414 | P | 70.2 | Confident | 75.3 | Confident | 41 Ų | 41 | 77.6 Ų | 77.6 | 27% | 0.266 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 136.9 | 169.6 | -8.3 | 12.6 | 0 | 0 | 0 | 110.6 | N80 R407 V416 | N80-P414 HydrophobicContact CB-CG 3.89Å; N80-P414 WeakPolarHBondContact ND2-CG 3.37Å; R407-P414 VanDerWaalsContact NH1-CD 3.31Å; P414-V416 PolarHBondContact O-N 2.87Å; P414-V416 VanDerWaalsContact O-N 3.15Å |
| 415 | V | 70.2 | Confident | 75.5 | Confident | 84 Ų | 84 | 75.1 Ų | 75.1 | 51% | 0.509 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -59 | 118.5 | 173.6 | 178.9 | 0 | 0 | 0 | 0 | 109.2 | S413 R417 P424 | S413-V415 PolarHBondContact O-N 3.38Å; V415-R417 PolarHBondContact O-N 3.13Å; V415-P424 HydrophobicContact CG1-CB 3.6Å; V415-P424 HydrophobicContact CG1-CG 3.94Å |
| 416 | V | 71.6 | Confident | 75.2 | Confident | 40 Ų | 40 | 81.5 Ų | 81.5 | 24% | 0.242 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 126.7 | 172.3 | -176.7 | 0 | 0 | 0 | 0 | 108.4 | P406 R407 P414 P424 T425 | P406-V416 HydrophobicContact CB-CB 4.05Å; P406-V416 HydrophobicContact CB-CG1 4.02Å; P406-V416 HydrophobicContact CB-CG2 3.73Å; R407-V416 HydrophobicContact CB-CG2 3.92Å; R407-V416 HydrophobicContact CG-CG2 4.3Å; R407-V416 VanDerWaalsContact N-CG2 3.3Å; P414-V416 PolarHBondContact O-N 2.87Å; P414-V416 VanDerWaalsContact O-N 3.15Å; V416-P424 WeakPolarHBondContact O-CA 3.15Å; V416-T425 HydrophobicContact CB-CG2 4.34Å; V416-T425 HydrophobicContact CG1-CG2 3.89Å; V416-T425 PolarHBondContact O-N 3.26Å; V416-T425 PolarHBondContact O-OG1 3.13Å |
| 417 | R | 74.4 | Confident | 74.5 | Confident | 150 Ų | 150 | 83.8 Ų | 83.8 | 57% | 0.566 | 45% | 0.454 | S | S | * | . | B | Isolated β-bridge | trans | -108.4 | 139.7 | 177.5 | -68.7 | 173.7 | 178.7 | -84 | -2.4 | 109.3 | V415 G422 L423 | V415-R417 PolarHBondContact O-N 3.13Å; R417-G422 WeakPolarHBondContact CD-O 3.27Å; R417-G422 PolarHBondContact NH1-O 3.29Å; R417-L423 CarbonylContact C-O 3.58Å; R417-L423 VanDerWaalsContact CA-O 3.24Å; R417-L423 WeakPolarHBondContact CA-O 3.44Å |
| 418 | D | 74.2 | Confident | 73.2 | Confident | 62 Ų | 62 | 82.9 Ų | 82.9 | 33% | 0.332 | 46% | 0.457 | S | S | . | . | trans | -63.7 | 137.1 | 172.6 | 173.6 | -98.7 | 0 | 0 | 0 | 109.9 | D420 T421 G422 L423 T425 | D418-D420 PolarHBondContact OD1-N 3.46Å; D418-T421 WeakPolarHBondContact CB-OG1 3.37Å; D418-T421 WeakPolarHBondContact OD1-CB 3.43Å; D418-T421 WeakPolarHBondContact OD1-CG2 3.5Å; D418-T421 PolarHBondContact OD1-N 2.89Å; D418-T421 PolarHBondContact OD1-OG1 3.22Å; D418-G422 VanDerWaalsContact O-CA 3.25Å; D418-G422 WeakPolarHBondContact O-CA 3.27Å; D418-G422 PolarHBondContact O-N 2.98Å; D418-L423 PolarHBondContact N-O 2.68Å; D418-T425 HydrophobicContact CB-CG2 4.45Å | ||
| 419 | Y | 76.1 | Confident | 71.9 | Confident | 215 Ų | 215 | 90.3 Ų | 90.3 | 84% | 0.843 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -41.3 | -173.5 | 178.2 | -95.4 | 0 | 0 | 0 | 111.7 | ||
| 420 | D | 80.6 | Confident | 70.8 | Confident | 142 Ų | 142 | 85 Ų | 85 | 76% | 0.759 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -32.5 | -173.4 | -64.5 | -40.5 | 0 | 0 | 0 | 111.9 | D418 | D418-D420 PolarHBondContact OD1-N 3.46Š|
| 421 | T | 83.8 | Confident | 69.1 | Low | 86 Ų | 86 | 88.1 Ų | 88.1 | 53% | 0.528 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | -20 | -174.2 | 63.5 | 0 | 0 | 0 | 0 | 114.3 | D418 L423 | D418-T421 WeakPolarHBondContact CB-OG1 3.37Å; D418-T421 WeakPolarHBondContact OD1-CB 3.43Å; D418-T421 WeakPolarHBondContact OD1-CG2 3.5Å; D418-T421 PolarHBondContact OD1-N 2.89Å; D418-T421 PolarHBondContact OD1-OG1 3.22Å; T421-L423 PolarHBondContact O-N 3.32Å; T421-L423 VanDerWaalsContact O-N 3.09Å; T421-L423 PolarHBondContact OG1-N 3.3Å |
| 422 | G | 79.7 | Confident | 67.7 | Low | 36 Ų | 36 | 92.7 Ų | 92.7 | 37% | 0.371 | 48% | 0.484 | S | S | . | . | trans | 66.5 | 1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | R417 D418 | R417-G422 WeakPolarHBondContact CD-O 3.27Å; R417-G422 PolarHBondContact NH1-O 3.29Å; D418-G422 VanDerWaalsContact O-CA 3.25Å; D418-G422 WeakPolarHBondContact O-CA 3.27Å; D418-G422 PolarHBondContact O-N 2.98Å | ||
| 423 | L | 78.4 | Confident | 66.4 | Low | 101 Ų | 101 | 94.3 Ų | 94.3 | 53% | 0.529 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -79.9 | 150.2 | 178.7 | -63.5 | 177.2 | 0 | 0 | 0 | 110 | R417 D418 T421 T425 | R417-L423 CarbonylContact C-O 3.58Å; R417-L423 VanDerWaalsContact CA-O 3.24Å; R417-L423 WeakPolarHBondContact CA-O 3.44Å; D418-L423 PolarHBondContact N-O 2.68Å; T421-L423 PolarHBondContact O-N 3.32Å; T421-L423 VanDerWaalsContact O-N 3.09Å; T421-L423 PolarHBondContact OG1-N 3.3Å; L423-T425 PolarHBondContact O-N 3.29Å |
| 424 | P | 71.4 | Confident | 65.6 | Low | 60 Ų | 60 | 102.4 Ų | 102.4 | 39% | 0.39 | 53% | 0.526 | S | S | . | . | B | Isolated β-bridge | trans | -49.3 | 134.1 | 167.9 | -26.7 | 36.9 | 0 | 0 | 0 | 110.2 | V415 V416 Q426 | V415-P424 HydrophobicContact CG1-CB 3.6Å; V415-P424 HydrophobicContact CG1-CG 3.94Å; V416-P424 WeakPolarHBondContact O-CA 3.15Å; P424-Q426 PolarHBondContact O-N 3.25Å |
| 425 | T | 63.7 | Low | 65.6 | Low | 37 Ų | 37 | 104.3 Ų | 104.3 | 23% | 0.227 | 53% | 0.532 | C | S | . | . | P | Polyproline II helix | trans | -55.3 | 116.9 | 176.1 | 49.9 | 0 | 0 | 0 | 0 | 109.3 | V416 D418 L423 G427 | V416-T425 HydrophobicContact CB-CG2 4.34Å; V416-T425 HydrophobicContact CG1-CG2 3.89Å; V416-T425 PolarHBondContact O-N 3.26Å; V416-T425 PolarHBondContact O-OG1 3.13Å; D418-T425 HydrophobicContact CB-CG2 4.45Å; L423-T425 PolarHBondContact O-N 3.29Å; T425-G427 PolarHBondContact O-N 2.6Å |
| 426 | Q | 59.3 | Low | 65.5 | Low | 189 Ų | 189 | 107 Ų | 107 | 88% | 0.883 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -73.5 | 92.6 | -178.9 | -72.3 | -168.2 | -10.7 | 0 | 0 | 110.1 | P424 | P424-Q426 PolarHBondContact O-N 3.25Š|
| 427 | G | 52.3 | Low | 65.6 | Low | 55 Ų | 55 | 111.3 Ų | 111.3 | 57% | 0.567 | 55% | 0.552 | S | S | * | * | S | Bend | trans | 74.4 | 122.1 | -168.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | T425 K429 | T425-G427 PolarHBondContact O-N 2.6Å; G427-K429 PolarHBondContact O-N 3.01Å |
| 428 | V | 47.6 | Very low | 65.1 | Low | 64 Ų | 64 | 109.4 Ų | 109.4 | 39% | 0.388 | 55% | 0.552 | S | S | . | * | trans | -62.2 | 84.1 | 160.4 | 162.4 | 0 | 0 | 0 | 0 | 106.2 | P406 V430 | P406-V428 HydrophobicContact CB-CG1 4.43Å; P406-V428 HydrophobicContact CB-CG2 4.05Å; P406-V428 HydrophobicContact CG-CB 3.68Å; P406-V428 HydrophobicContact CG-CG1 3.09Å; P406-V428 HydrophobicContact CG-CG2 3.43Å; P406-V428 VanDerWaalsContact CG-CG2 3.43Å; V428-V430 HydrophobicContact CG1-CG2 3.58Å; V428-V430 PolarHBondContact O-N 3.09Å | ||
| 429 | K | 49.2 | Very low | 64.7 | Low | 166 Ų | 166 | 111.9 Ų | 111.9 | 72% | 0.722 | 56% | 0.563 | S | S | * | * | trans | -65.9 | 95 | 157 | -83.4 | -173.5 | 178.9 | 178.5 | 0 | 103.6 | F404 G427 E431 | F404-K429 WeakPolarHBondContact CD1-O 3.28Å; G427-K429 PolarHBondContact O-N 3.01Å; K429-E431 PolarHBondContact O-N 3.02Å | ||
| 430 | V | 52.9 | Low | 64 | Low | 80 Ų | 80 | 106.2 Ų | 106.2 | 49% | 0.485 | 55% | 0.548 | S | S | . | . | trans | -57 | 91.6 | 157.7 | -179.2 | 0 | 0 | 0 | 0 | 103.9 | A403 F404 V428 E432 | A403-V430 HydrophobicContact CB-CG1 4.28Å; F404-V430 WeakPolarHBondContact O-CG1 3.22Å; V428-V430 HydrophobicContact CG1-CG2 3.58Å; V428-V430 PolarHBondContact O-N 3.09Å; V430-E432 PolarHBondContact O-N 3.26Å | ||
| 431 | E | 49.4 | Very low | 63 | Low | 97 Ų | 97 | 104.1 Ų | 104.1 | 45% | 0.453 | 54% | 0.535 | S | S | . | . | trans | -65.6 | 109.2 | 171.8 | -67.1 | -171.2 | 161 | 0 | 0 | 104.5 | A403 F404 K429 K433 | A403-E431 WeakPolarHBondContact CA-O 3.44Å; F404-E431 HydrophobicContact CB-CB 3.89Å; F404-E431 PolarHBondContact N-O 2.79Å; K429-E431 PolarHBondContact O-N 3.02Å; E431-K433 HydrophobicContact CB-CG 4.02Å; E431-K433 PolarHBondContact O-N 3.06Å; E431-K433 WeakPolarHBondContact OE2-CE 3.37Å; E431-K433 IonicContact OE2-NZ 3.57Å | ||
| 432 | E | 54 | Low | 61.8 | Low | 169 Ų | 169 | 105.2 Ų | 105.2 | 79% | 0.79 | 54% | 0.536 | S | S | * | . | trans | -65.7 | 69.5 | 161.6 | -71.9 | -168.9 | 166.8 | 0 | 0 | 107.9 | V430 K434 | V430-E432 PolarHBondContact O-N 3.26Å; E432-K434 VanDerWaalsContact C-N 3.32Å; E432-K434 PolarHBondContact O-N 2.92Å | ||
| 433 | K | 56.5 | Low | 60.6 | Low | 93 Ų | 93 | 109.8 Ų | 109.8 | 40% | 0.404 | 55% | 0.547 | S | S | . | . | trans | -63.6 | 104.3 | 165.5 | -68 | -168.2 | -175.5 | -179 | 0 | 105.4 | M401 G402 E431 Q435 | M401-K433 HydrophobicContact CE-CD 3.73Å; G402-K433 CarbonylContact C-O 2.93Å; G402-K433 WeakPolarHBondContact O-CB 3.34Å; E431-K433 HydrophobicContact CB-CG 4.02Å; E431-K433 PolarHBondContact O-N 3.06Å; E431-K433 WeakPolarHBondContact OE2-CE 3.37Å; E431-K433 IonicContact OE2-NZ 3.57Å; K433-Q435 PolarHBondContact O-N 3.22Å | ||
| 434 | K | 63 | Low | 59.3 | Low | 183 Ų | 183 | 110.4 Ų | 110.4 | 80% | 0.796 | 55% | 0.548 | S | S | * | . | trans | -52.3 | 136.4 | 173.9 | -66.2 | -172.5 | 178.2 | -176.1 | 0 | 108.5 | E432 K436 | E432-K434 VanDerWaalsContact C-N 3.32Å; E432-K434 PolarHBondContact O-N 2.92Å; K434-K436 PolarHBondContact O-N 3.15Å | ||
| 435 | Q | 68.6 | Low | 58.3 | Low | 82 Ų | 82 | 114.3 Ų | 114.3 | 38% | 0.383 | 56% | 0.56 | S | S | . | * | trans | -54.3 | 139.1 | 168.4 | -71.4 | -175.4 | -12.3 | 0 | 0 | 108.4 | K433 F437 | K433-Q435 PolarHBondContact O-N 3.22Å; Q435-F437 VanDerWaalsContact C-N 3.27Å; Q435-F437 PolarHBondContact O-N 3.04Å | ||
| 436 | K | 69.1 | Low | 57.9 | Low | 139 Ų | 139 | 120.8 Ų | 120.8 | 60% | 0.604 | 59% | 0.588 | S | S | * | * | trans | -77.4 | -9.3 | -171.8 | -77.2 | -168.5 | 175.1 | -178 | 0 | 114.2 | W400 M401 K434 | W400-K436 PolarHBondContact O-N 2.63Å; M401-K436 HydrophobicContact CG-CD 4.12Å; M401-K436 HydrophobicContact CG-CG 4.22Å; K434-K436 PolarHBondContact O-N 3.15Å | ||
| 437 | F | 72.9 | Confident | 57.8 | Low | 132 Ų | 132 | 114.5 Ų | 114.5 | 58% | 0.579 | 56% | 0.561 | S | S | * | * | trans | -130.5 | 0 | -169.6 | -60.3 | -75 | 0 | 0 | 0 | 112.4 | R397 P398 W400 Q435 | R397-F437 VanDerWaalsContact CD-OXT 3.31Å; R397-F437 WeakPolarHBondContact CD-OXT 3.26Å; R397-F437 PolarHBondContact NH1-OXT 3.03Å; P398-F437 HydrophobicContact CB-CD2 4.26Å; P398-F437 HydrophobicContact CG-CB 3.9Å; P398-F437 HydrophobicContact CG-CD1 4.25Å; P398-F437 HydrophobicContact CG-CD2 3.75Å; P398-F437 HydrophobicContact CG-CE2 4.3Å; P398-F437 HydrophobicContact CG-CG 3.71Å; W400-F437 HydrophobicContact CB-CD2 3.66Å; W400-F437 HydrophobicContact CB-CE2 3.46Å; W400-F437 VanDerWaalsContact CB-CE2 3.46Å; W400-F437 AromaticContact CG-CE2 3.94Å; W400-F437 HydrophobicContact CG-CE2 3.94Å; Q435-F437 VanDerWaalsContact C-N 3.27Å; Q435-F437 PolarHBondContact O-N 3.04Å |
Retrieved 437 of 437 residues in 139.2 ms
(Link to these results)