| 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 | 28.1 | Very low | 25.9 | Very low | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | 0 | 149 | 0 | 179.4 | -176.1 | -140.7 | 0 | 0 | 106 | F3 R266 L267 R268 A286 S306 I313 L343 | M1-F3 HydrophobicContact CE-CD2 4.39Å; M1-F3 HydrophobicContact CE-CE1 3.59Å; M1-F3 HydrophobicContact CE-CE2 3.44Å; M1-F3 VanDerWaalsContact CE-CE2 3.44Å; M1-F3 HydrophobicContact CE-CZ 2.99Å; M1-F3 HydrophobicContact CG-CD1 4.46Å; M1-F3 HydrophobicContact CG-CD2 3.71Å; M1-F3 HydrophobicContact CG-CE1 4.36Å; M1-F3 HydrophobicContact CG-CE2 3.6Å; M1-F3 HydrophobicContact CG-CG 4.27Å; M1-F3 HydrophobicContact CG-CZ 4Å; M1-F3 HydrophobicContact SD-CD2 3.77Å; M1-F3 HydrophobicContact SD-CE1 4.22Å; M1-F3 HydrophobicContact SD-CE2 3.03Å; M1-F3 WeakPolarHBondContact SD-CE2 3.38Å; M1-F3 HydrophobicContact SD-CZ 3.36Å; M1-F3 WeakPolarHBondContact SD-CZ 3.11Å; M1-R266 PolarHBondContact N-O 3.09Å; M1-L267 VanDerWaalsContact CB-CA 3.41Å; M1-L267 HydrophobicContact CB-CB 4.05Å; M1-L267 HydrophobicContact CB-CD2 3.97Å; M1-L267 HydrophobicContact SD-CB 3.97Å; M1-L267 HydrophobicContact SD-CD2 3.67Å; M1-L267 HydrophobicContact SD-CG 4.27Å; M1-R268 CarbonylContact C-O 3.48Å; M1-R268 VanDerWaalsContact CB-N 3.26Å; M1-R268 CarbonylContact O-C 3.45Å; M1-R268 VanDerWaalsContact O-C 3.3Å; M1-R268 WeakPolarHBondContact O-CA 3.31Å; M1-R268 WeakPolarHBondContact O-CB 3.23Å; M1-R268 WeakPolarHBondContact O-CG 3.38Å; M1-R268 PolarHBondContact O-N 3.3Å; M1-A286 HydrophobicContact CE-CB 3.71Å; M1-A286 HydrophobicContact SD-CB 4.05Å; M1-S306 WeakPolarHBondContact CE-OG 3.34Å; M1-S306 VanDerWaalsContact CG-O 3.31Å; M1-S306 WeakPolarHBondContact CG-O 3.47Å; M1-I313 HydrophobicContact CE-CD1 4.39Å; M1-L343 HydrophobicContact CE-CD2 3.74Å | |||
| 2 | F | 27.1 | Very low | 25.4 | Very low | 3 Ų | 3 | 40 Ų | 40 | 1% | 0.013 | 23% | 0.227 | C | C | . | . | trans | -135.7 | 110.5 | -176.3 | -70 | -26.1 | 0 | 0 | 0 | 104 | L216 R268 Y270 K305 L312 I313 | F2-L216 HydrophobicContact CB-CD1 4.19Å; F2-L216 HydrophobicContact CD1-CD2 3.93Å; F2-L216 HydrophobicContact CD2-CB 3.88Å; F2-L216 HydrophobicContact CD2-CD1 4.43Å; F2-L216 HydrophobicContact CD2-CD2 3.65Å; F2-L216 HydrophobicContact CD2-CG 4.19Å; F2-L216 HydrophobicContact CE1-CD2 3.76Å; F2-L216 HydrophobicContact CE2-CB 4.09Å; F2-L216 HydrophobicContact CE2-CD2 3.42Å; F2-L216 VanDerWaalsContact CE2-CD2 3.42Å; F2-L216 HydrophobicContact CE2-CG 4.3Å; F2-L216 HydrophobicContact CG-CD1 4.24Å; F2-L216 HydrophobicContact CG-CD2 3.84Å; F2-L216 HydrophobicContact CG-CG 4.42Å; F2-L216 HydrophobicContact CZ-CD2 3.43Å; F2-L216 VanDerWaalsContact CZ-CD2 3.43Å; F2-R268 PolarHBondContact N-O 3.29Å; F2-Y270 HydrophobicContact CB-CD2 4.07Å; F2-Y270 HydrophobicContact CB-CE2 4.29Å; F2-Y270 AromaticContact CD1-CD2 3.58Å; F2-Y270 HydrophobicContact CD1-CD2 3.58Å; F2-Y270 HydrophobicContact CD1-CE1 4.41Å; F2-Y270 AromaticContact CD1-CE2 2.92Å; F2-Y270 HydrophobicContact CD1-CE2 2.92Å; F2-Y270 AromaticContact CD1-CZ 3.38Å; F2-Y270 HydrophobicContact CE1-CD2 4.37Å; F2-Y270 HydrophobicContact CE1-CE1 4.41Å; F2-Y270 AromaticContact CE1-CE2 3.34Å; F2-Y270 HydrophobicContact CE1-CE2 3.34Å; F2-Y270 AromaticContact CE1-CZ 3.3Å; F2-Y270 WeakPolarHBondContact CE1-OH 2.92Å; F2-Y270 HydrophobicContact CG-CD2 4.21Å; F2-Y270 AromaticContact CG-CE2 3.92Å; F2-Y270 HydrophobicContact CG-CE2 3.92Å; F2-K305 HydrophobicContact CD2-CD 3.87Å; F2-K305 HydrophobicContact CE1-CD 4.32Å; F2-K305 HydrophobicContact CE2-CD 3.52Å; F2-K305 HydrophobicContact CZ-CD 3.84Å; F2-L312 HydrophobicContact CB-CD1 3.36Å; F2-L312 HydrophobicContact CD2-CD1 4.2Å; F2-L312 HydrophobicContact CG-CD1 4.27Å; F2-I313 PolarHBondContact O-N 2.8Å | ||
| 3 | F | 22.6 | Very low | 25.4 | Very low | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 129.9 | 175.9 | -67.5 | -73.1 | 0 | 0 | 0 | 107.5 | M1 R268 V269 Y270 A286 I313 Y315 L320 | M1-F3 HydrophobicContact CE-CD2 4.39Å; M1-F3 HydrophobicContact CE-CE1 3.59Å; M1-F3 HydrophobicContact CE-CE2 3.44Å; M1-F3 VanDerWaalsContact CE-CE2 3.44Å; M1-F3 HydrophobicContact CE-CZ 2.99Å; M1-F3 HydrophobicContact CG-CD1 4.46Å; M1-F3 HydrophobicContact CG-CD2 3.71Å; M1-F3 HydrophobicContact CG-CE1 4.36Å; M1-F3 HydrophobicContact CG-CE2 3.6Å; M1-F3 HydrophobicContact CG-CG 4.27Å; M1-F3 HydrophobicContact CG-CZ 4Å; M1-F3 HydrophobicContact SD-CD2 3.77Å; M1-F3 HydrophobicContact SD-CE1 4.22Å; M1-F3 HydrophobicContact SD-CE2 3.03Å; M1-F3 WeakPolarHBondContact SD-CE2 3.38Å; M1-F3 HydrophobicContact SD-CZ 3.36Å; M1-F3 WeakPolarHBondContact SD-CZ 3.11Å; F3-R268 WeakPolarHBondContact CD2-O 3.13Å; F3-R268 PolarHBondContact N-O 3.25Å; F3-V269 HydrophobicContact CB-CB 4.2Å; F3-V269 HydrophobicContact CB-CG1 3.84Å; F3-V269 HydrophobicContact CB-CG2 4.46Å; F3-V269 HydrophobicContact CD2-CB 3.73Å; F3-V269 HydrophobicContact CD2-CG1 4.12Å; F3-V269 HydrophobicContact CD2-CG2 3.16Å; F3-V269 HydrophobicContact CE2-CG2 3.49Å; F3-V269 VanDerWaalsContact CE2-CG2 3.49Å; F3-V269 HydrophobicContact CG-CB 4.39Å; F3-V269 HydrophobicContact CG-CG1 4.35Å; F3-V269 HydrophobicContact CG-CG2 4.14Å; F3-Y270 CarbonylContact C-O 3.56Å; F3-Y270 CarbonylContact O-C 3.55Å; F3-Y270 WeakPolarHBondContact O-CA 2.86Å; F3-Y270 WeakPolarHBondContact O-CB 2.88Å; F3-Y270 PolarHBondContact O-N 3.2Å; F3-A286 HydrophobicContact CE2-CB 4.25Å; F3-A286 HydrophobicContact CZ-CB 3.97Å; F3-I313 HydrophobicContact CD1-CB 4.19Å; F3-I313 HydrophobicContact CD1-CD1 4.22Å; F3-I313 HydrophobicContact CE1-CB 4.46Å; F3-I313 HydrophobicContact CE1-CD1 3.62Å; F3-I313 HydrophobicContact CE1-CG1 4.42Å; F3-Y315 HydrophobicContact CB-CD2 4.47Å; F3-Y315 AromaticContact CD1-CD2 3.74Å; F3-Y315 HydrophobicContact CD1-CD2 3.74Å; F3-Y315 AromaticContact CD1-CE2 3.2Å; F3-Y315 HydrophobicContact CD1-CE2 3.2Å; F3-Y315 HydrophobicContact CE1-CD2 4.32Å; F3-Y315 AromaticContact CE1-CE2 3.37Å; F3-Y315 HydrophobicContact CE1-CE2 3.37Å; F3-Y315 AromaticContact CE1-CZ 3.85Å; F3-Y315 HydrophobicContact CG-CE2 4.38Å; F3-L320 HydrophobicContact CB-CD1 3.84Å; F3-L320 HydrophobicContact CB-CD2 3.55Å; F3-L320 HydrophobicContact CB-CG 4.3Å; F3-L320 HydrophobicContact CD1-CD1 3.9Å; F3-L320 HydrophobicContact CD2-CD1 4.45Å; F3-L320 HydrophobicContact CE1-CD1 4.23Å; F3-L320 HydrophobicContact CG-CD1 3.91Å |
| 4 | L | 24.8 | Very low | 25.2 | Very low | 5 Ų | 5 | 48.1 Ų | 48.1 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 142.9 | -173.1 | -141.9 | 144.9 | 0 | 0 | 0 | 114.8 | M177 L216 I250 L254 Y270 Y315 | L4-M177 HydrophobicContact CD2-CE 4.04Å; L4-M177 HydrophobicContact CD2-SD 4.31Å; L4-L216 HydrophobicContact CD1-CD1 3.31Å; L4-I250 HydrophobicContact CB-CD1 3.82Å; L4-I250 HydrophobicContact CD1-CG2 4.34Å; L4-I250 HydrophobicContact CD2-CG2 4.4Å; L4-L254 HydrophobicContact CD1-CB 3.93Å; L4-L254 HydrophobicContact CD1-CD1 3.07Å; L4-L254 HydrophobicContact CD1-CD2 3.51Å; L4-L254 HydrophobicContact CD1-CG 3.58Å; L4-L254 HydrophobicContact CD2-CD1 3.93Å; L4-L254 HydrophobicContact CD2-CD2 3.06Å; L4-L254 HydrophobicContact CD2-CG 4.01Å; L4-L254 HydrophobicContact CG-CD1 4.04Å; L4-L254 HydrophobicContact CG-CD2 3.57Å; L4-L254 HydrophobicContact CG-CG 4.23Å; L4-Y270 HydrophobicContact CD1-CD1 3.93Å; L4-Y270 HydrophobicContact CD1-CG 3.87Å; L4-Y315 PolarHBondContact O-N 3.16Å |
| 5 | V | 23.9 | Very low | 25 | Very low | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 118.2 | -169.8 | 172 | 0 | 0 | 0 | 0 | 111.6 | E317 L320 L321 | V5-E317 HydrophobicContact CB-CB 4.36Å; V5-E317 HydrophobicContact CB-CG 4.46Å; V5-E317 HydrophobicContact CG1-CB 3.25Å; V5-E317 HydrophobicContact CG1-CG 3.52Å; V5-E317 VanDerWaalsContact CG1-OE2 3.3Å; V5-E317 WeakPolarHBondContact CG1-OE2 3.4Å; V5-E317 HydrophobicContact CG2-CB 4.25Å; V5-E317 HydrophobicContact CG2-CG 4.18Å; V5-L320 HydrophobicContact CG2-CD2 3.97Å; V5-L321 HydrophobicContact CG2-CD1 4.14Å; V5-L321 HydrophobicContact CG2-CD2 4.31Å; V5-L321 HydrophobicContact CG2-CG 4.02Å |
| 6 | A | 25 | Very low | 24.8 | Very low | 35 Ų | 35 | 55.2 Ų | 55.2 | 29% | 0.289 | 36% | 0.36 | S | S | . | . | trans | -84.1 | 107.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 7 | G | 24.3 | Very low | 25 | Very low | 7 Ų | 7 | 59.3 Ų | 59.3 | 7% | 0.072 | 39% | 0.388 | C | S | . | . | trans | -81.5 | 168.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S165 S166 | G7-S165 PolarHBondContact O-OG 3.12Å; G7-S166 CarbonylContact C-O 3.57Å; G7-S166 CarbonylContact O-C 3.59Å; G7-S166 VanDerWaalsContact O-C 3.29Å; G7-S166 PolarHBondContact O-N 3.33Å; G7-S166 VanDerWaalsContact O-N 3.16Å | ||
| 8 | S | 29.3 | Very low | 25.1 | Very low | 27 Ų | 27 | 61.5 Ų | 61.5 | 19% | 0.189 | 41% | 0.405 | C | S | . | . | trans | -126.6 | 165.6 | -168.5 | 30.8 | 0 | 0 | 0 | 0 | 117.1 | S166 R842 Q844 | S8-S166 CarbonylContact C-O 3.6Å; S8-S166 WeakPolarHBondContact CA-O 3.23Å; S8-S166 PolarHBondContact N-O 3.32Å; S8-S166 VanDerWaalsContact O-O 3.12Å; S8-R842 VanDerWaalsContact O-CZ 3.23Å; S8-R842 PolarHBondContact O-NH1 2.92Å; S8-R842 PolarHBondContact O-NH2 3.25Å; S8-R842 PolarHBondContact OG-NH1 3.42Å; S8-Q844 VanDerWaalsContact CB-NE2 3.34Å | ||
| 9 | Y | 32 | Very low | 25.1 | Very low | 96 Ų | 96 | 68.9 Ų | 68.9 | 38% | 0.376 | 43% | 0.43 | S | S | . | . | trans | -104.5 | 158 | -155.4 | -167.8 | -88.2 | 0 | 0 | 0 | 116.2 | A11 S166 K174 Y176 R842 | Y9-A11 HydrophobicContact CD1-CB 4.01Å; Y9-A11 HydrophobicContact CE1-CB 3.49Å; Y9-A11 VanDerWaalsContact CE1-CB 3.49Å; Y9-S166 WeakPolarHBondContact CB-OG 3.46Å; Y9-S166 WeakPolarHBondContact CD2-OG 3.36Å; Y9-K174 VanDerWaalsContact CD1-NZ 3.31Å; Y9-K174 HydrophobicContact CD2-CD 4.34Å; Y9-K174 VanDerWaalsContact CE1-NZ 3.26Å; Y9-K174 HydrophobicContact CE2-CD 4.3Å; Y9-K174 VanDerWaalsContact CG-CE 3.44Å; Y9-Y176 HydrophobicContact CD2-CE1 4.06Å; Y9-Y176 AromaticContact CE2-CE1 3.76Å; Y9-Y176 HydrophobicContact CE2-CE1 3.76Å; Y9-Y176 AromaticContact CE2-CZ 3.92Å; Y9-Y176 VanDerWaalsContact CE2-OH 3.24Å; Y9-Y176 WeakPolarHBondContact CE2-OH 3.5Å; Y9-R842 WeakPolarHBondContact O-CD 3.46Å; Y9-R842 WeakPolarHBondContact O-CG 3.29Å; Y9-R842 PolarHBondContact O-NE 3.36Å | ||
| 10 | S | 22.7 | Very low | 25.3 | Very low | 66 Ų | 66 | 73.4 Ų | 73.4 | 46% | 0.462 | 45% | 0.445 | S | S | . | . | trans | -123 | 133.9 | 155.6 | 57.6 | 0 | 0 | 0 | 0 | 110.4 | K174 | S10-K174 PolarHBondContact O-NZ 2.87Š| ||
| 11 | A | 25.6 | Very low | 25.5 | Very low | 46 Ų | 46 | 75.7 Ų | 75.7 | 38% | 0.38 | 46% | 0.462 | S | S | . | . | trans | -98.8 | 134.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y9 | Y9-A11 HydrophobicContact CD1-CB 4.01Å; Y9-A11 HydrophobicContact CE1-CB 3.49Å; Y9-A11 VanDerWaalsContact CE1-CB 3.49Å | ||
| 12 | Q | 19 | Very low | 25.6 | Very low | 195 Ų | 195 | 84.5 Ų | 84.5 | 91% | 0.911 | 50% | 0.5 | S | S | * | . | trans | -98 | 96.7 | 158.1 | -74 | -179.9 | -14.7 | 0 | 0 | 106.7 | S14 | Q12-S14 PolarHBondContact O-N 3.48Š| ||
| 13 | A | 26.3 | Very low | 25.5 | Very low | 77 Ų | 77 | 89.6 Ų | 89.6 | 64% | 0.636 | 54% | 0.536 | S | S | * | . | trans | -82 | 108.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | S15 | A13-S15 PolarHBondContact O-N 3.45Š| ||
| 14 | S | 21.8 | Very low | 25.9 | Very low | 117 Ų | 117 | 98.6 Ų | 98.6 | 82% | 0.818 | 58% | 0.576 | S | S | * | * | trans | -66 | 126.3 | 168.2 | 57.2 | 0 | 0 | 0 | 0 | 109.8 | Q12 A16 | Q12-S14 PolarHBondContact O-N 3.48Å; S14-A16 PolarHBondContact O-N 3.07Å | ||
| 15 | S | 22.5 | Very low | 26.1 | Very low | 117 Ų | 117 | 102.4 Ų | 102.4 | 82% | 0.818 | 61% | 0.608 | S | S | * | * | trans | -56.4 | 126.4 | 169.7 | 58.6 | 0 | 0 | 0 | 0 | 112 | A13 | A13-S15 PolarHBondContact O-N 3.45Š| ||
| 16 | A | 22.3 | Very low | 26.3 | Very low | 92 Ų | 92 | 109.9 Ų | 109.9 | 76% | 0.76 | 65% | 0.648 | S | S | * | * | trans | 160.1 | 109.8 | 136.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | S14 | S14-A16 PolarHBondContact O-N 3.07Š| ||
| 17 | C | 27.2 | Very low | 26.6 | Very low | 125 Ų | 125 | 113.4 Ų | 113.4 | 85% | 0.845 | 67% | 0.668 | S | S | * | * | -176.2 | 112.7 | 125.8 | -105 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 18 | S | 27 | Very low | 26.8 | Very low | 99 Ų | 99 | 119.7 Ų | 119.7 | 69% | 0.692 | 71% | 0.705 | S | S | * | * | trans | 35.3 | 119.2 | 143.3 | 60 | 0 | 0 | 0 | 0 | 121.7 | H20 | S18-H20 PolarHBondContact O-N 2.72Š| ||
| 19 | K | 26.2 | Very low | 26.7 | Very low | 202 Ų | 202 | 126.7 Ų | 126.7 | 88% | 0.878 | 74% | 0.737 | S | S | * | * | trans | -47.5 | 115.3 | 154.9 | -61.7 | 170.6 | 176.9 | 177.8 | 0 | 112.2 | ||||
| 20 | H | 29.1 | Very low | 26.6 | Very low | 158 Ų | 158 | 128.1 Ų | 128.1 | 73% | 0.731 | 76% | 0.755 | S | S | * | * | trans | -137.1 | 123.9 | 147.6 | -87.3 | -66.5 | 0 | 0 | 0 | 109.6 | S18 F22 | S18-H20 PolarHBondContact O-N 2.72Å; H20-F22 PolarHBondContact O-N 3.25Å | ||
| 21 | P | 29.4 | Very low | 27 | Very low | 123 Ų | 123 | 130.8 Ų | 130.8 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | trans | -77.3 | 113.9 | 178.4 | 30.1 | -29.9 | 0 | 0 | 0 | 109.1 | S23 | P21-S23 PolarHBondContact O-N 2.81Å; P21-S23 VanDerWaalsContact O-N 3.16Å | ||
| 22 | F | 29.6 | Very low | 27.2 | Very low | 185 Ų | 185 | 137.5 Ų | 137.5 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -68.8 | 109.6 | 171.9 | -83.9 | -86.7 | 0 | 0 | 0 | 109.6 | H20 | H20-F22 PolarHBondContact O-N 3.25Š| ||
| 23 | S | 25.1 | Very low | 28.2 | Very low | 109 Ų | 109 | 132.5 Ų | 132.5 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | -74.8 | 115.5 | 164.7 | 168.5 | 0 | 0 | 0 | 0 | 108.6 | P21 A25 | P21-S23 PolarHBondContact O-N 2.81Å; P21-S23 VanDerWaalsContact O-N 3.16Å; S23-A25 PolarHBondContact O-N 3.37Å | ||
| 24 | F | 31.6 | Very low | 29.2 | Very low | 190 Ų | 190 | 133.1 Ų | 133.1 | 83% | 0.833 | 79% | 0.79 | S | S | * | * | trans | -79.2 | 90.3 | 171.4 | -74.9 | -88.4 | 0 | 0 | 0 | 109.4 | N26 | F24-N26 PolarHBondContact O-N 3.27Š| ||
| 25 | A | 28.8 | Very low | 30.8 | Very low | 84 Ų | 84 | 133.5 Ų | 133.5 | 69% | 0.694 | 78% | 0.783 | S | S | * | * | trans | -80 | 111.5 | 162.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | S23 P27 | S23-A25 PolarHBondContact O-N 3.37Å; A25-P27 WeakPolarHBondContact O-CD 3.5Å | ||
| 26 | N | 27.7 | Very low | 32.6 | Very low | 157 Ų | 157 | 131.9 Ų | 131.9 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | trans | -53.6 | 110.8 | 176.7 | -82.2 | -30 | 0 | 0 | 0 | 112.2 | F24 | F24-N26 PolarHBondContact O-N 3.27Š| ||
| 27 | P | 30.5 | Very low | 34.7 | Very low | 110 Ų | 110 | 128.4 Ų | 128.4 | 71% | 0.714 | 74% | 0.739 | S | S | * | * | trans | -82.3 | 120 | 153.7 | 9.7 | 11.4 | 0 | 0 | 0 | 106.3 | A25 M29 | A25-P27 WeakPolarHBondContact O-CD 3.5Å; P27-M29 PolarHBondContact O-N 3.16Å | ||
| 28 | T | 28.6 | Very low | 36.9 | Very low | 138 Ų | 138 | 129.6 Ų | 129.6 | 85% | 0.847 | 73% | 0.733 | S | S | * | * | trans | -55.2 | 89.1 | 163.6 | 16.6 | 0 | 0 | 0 | 0 | 108.4 | V30 | T28-V30 VanDerWaalsContact C-N 3.31Å; T28-V30 PolarHBondContact O-N 2.79Å | ||
| 29 | M | 28.8 | Very low | 39.8 | Very low | 174 Ų | 174 | 130.8 Ų | 130.8 | 86% | 0.857 | 72% | 0.722 | S | S | * | * | trans | -71.5 | 95.7 | 172.4 | -135.9 | -179.2 | 175.1 | 0 | 0 | 105.7 | P27 C31 | P27-M29 PolarHBondContact O-N 3.16Å; M29-C31 PolarHBondContact O-N 3.1Å | ||
| 30 | V | 28.4 | Very low | 42.9 | Very low | 127 Ų | 127 | 121.4 Ų | 121.4 | 77% | 0.77 | 68% | 0.682 | S | S | * | * | trans | -55 | 106.7 | 163.3 | 176.9 | 0 | 0 | 0 | 0 | 105.3 | T28 K32 | T28-V30 VanDerWaalsContact C-N 3.31Å; T28-V30 PolarHBondContact O-N 2.79Å; V30-K32 PolarHBondContact O-N 2.73Å | ||
| 31 | C | 31.7 | Very low | 45.6 | Very low | 122 Ų | 122 | 116.5 Ų | 116.5 | 82% | 0.824 | 66% | 0.664 | S | S | * | * | trans | -61.1 | 88.4 | 172.5 | -64.2 | 0 | 0 | 0 | 0 | 107.5 | M29 A33 | M29-C31 PolarHBondContact O-N 3.1Å; C31-A33 PolarHBondContact O-N 2.87Å | ||
| 32 | K | 30.1 | Very low | 48.5 | Very low | 187 Ų | 187 | 116.6 Ų | 116.6 | 81% | 0.813 | 65% | 0.651 | S | S | * | * | trans | -49.6 | 131.9 | 153.1 | -85.4 | -177 | 171.7 | -177.1 | 0 | 105.5 | V30 A34 | V30-K32 PolarHBondContact O-N 2.73Å; K32-A34 PolarHBondContact O-N 3.38Å | ||
| 33 | A | 39.6 | Very low | 51.6 | Low | 90 Ų | 90 | 109.4 Ų | 109.4 | 74% | 0.744 | 62% | 0.621 | S | S | * | * | trans | -45.1 | 120.5 | 169 | 0 | 0 | 0 | 0 | 0 | 106.6 | C31 D35 | C31-A33 PolarHBondContact O-N 2.87Å; A33-D35 PolarHBondContact O-N 3.15Å | ||
| 34 | A | 48.2 | Very low | 54.9 | Low | 90 Ų | 90 | 104.3 Ų | 104.3 | 74% | 0.744 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 123.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | K32 S36 | K32-A34 PolarHBondContact O-N 3.38Å; A34-S36 PolarHBondContact O-N 3.31Å |
| 35 | D | 54.8 | Low | 57.9 | Low | 125 Ų | 125 | 97.5 Ų | 97.5 | 67% | 0.668 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -50 | 123.4 | 173.5 | -73.8 | -32.4 | 0 | 0 | 0 | 106.1 | A33 F37 W129 | A33-D35 PolarHBondContact O-N 3.15Å; D35-F37 PolarHBondContact O-N 2.94Å; D35-W129 HydrophobicContact CB-CZ2 4Å; D35-W129 VanDerWaalsContact O-CH2 3.28Å; D35-W129 WeakPolarHBondContact O-CH2 3.36Å; D35-W129 WeakPolarHBondContact O-CZ2 3.38Å |
| 36 | S | 59.6 | Low | 61.2 | Low | 83 Ų | 83 | 93.7 Ų | 93.7 | 58% | 0.58 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 128.8 | 176.6 | 50.8 | 0 | 0 | 0 | 0 | 107.5 | A34 E38 | A34-S36 PolarHBondContact O-N 3.31Å; S36-E38 PolarHBondContact O-N 2.94Å; S36-E38 VanDerWaalsContact O-N 3.17Å |
| 37 | F | 67.3 | Low | 64.6 | Low | 18 Ų | 18 | 90.7 Ų | 90.7 | 8% | 0.079 | 51% | 0.506 | C | S | . | . | P | Polyproline II helix | trans | -51.8 | 127.2 | 175.9 | 170.8 | -97.6 | 0 | 0 | 0 | 110.3 | D35 R39 W129 W356 Q413 P415 | D35-F37 PolarHBondContact O-N 2.94Å; F37-R39 HydrophobicContact CD1-CG 4.47Å; F37-R39 HydrophobicContact CE1-CB 4.34Å; F37-R39 HydrophobicContact CE1-CG 3.66Å; F37-R39 HydrophobicContact CZ-CG 4.41Å; F37-W129 VanDerWaalsContact CA-CH2 3.41Å; F37-W129 HydrophobicContact CB-CE3 4.37Å; F37-W129 HydrophobicContact CB-CH2 3.68Å; F37-W129 HydrophobicContact CB-CZ3 3.55Å; F37-W129 HydrophobicContact CD2-CD2 4.35Å; F37-W129 AromaticContact CD2-CE3 3.51Å; F37-W129 HydrophobicContact CD2-CE3 3.51Å; F37-W129 HydrophobicContact CD2-CH2 4.36Å; F37-W129 AromaticContact CD2-CZ3 3.53Å; F37-W129 HydrophobicContact CD2-CZ3 3.53Å; F37-W129 HydrophobicContact CE2-CE3 4.33Å; F37-W129 HydrophobicContact CG-CE3 4.41Å; F37-W129 HydrophobicContact CG-CZ3 4.02Å; F37-W356 AromaticContact CE1-CH2 3.88Å; F37-W356 HydrophobicContact CE1-CH2 3.88Å; F37-W356 AromaticContact CE1-CZ2 3.69Å; F37-W356 HydrophobicContact CE1-CZ2 3.69Å; F37-W356 HydrophobicContact CZ-CH2 4.12Å; F37-W356 HydrophobicContact CZ-CZ2 4.32Å; F37-Q413 WeakPolarHBondContact CB-O 3.19Å; F37-Q413 WeakPolarHBondContact CD1-O 3.46Å; F37-Q413 WeakPolarHBondContact CG-O 3.28Å; F37-P415 HydrophobicContact CD2-CG 4.04Å; F37-P415 HydrophobicContact CE1-CG 4.21Å; F37-P415 HydrophobicContact CE2-CG 3.41Å; F37-P415 VanDerWaalsContact CE2-CG 3.41Å; F37-P415 HydrophobicContact CZ-CG 3.49Å; F37-P415 VanDerWaalsContact CZ-CG 3.49Å |
| 38 | E | 73.5 | Confident | 67.8 | Low | 150 Ų | 150 | 85.8 Ų | 85.8 | 70% | 0.701 | 47% | 0.474 | S | S | * | . | trans | -107.1 | 121.5 | 169.7 | -67.8 | -172.9 | 169.4 | 0 | 0 | 108.3 | S36 | S36-E38 PolarHBondContact O-N 2.94Å; S36-E38 VanDerWaalsContact O-N 3.17Å | ||
| 39 | R | 86.9 | Confident | 71.2 | Confident | 124 Ų | 124 | 79.3 Ų | 79.3 | 47% | 0.468 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -49.1 | 154 | 164.6 | -75.1 | -177.4 | -80 | 179.8 | -5.9 | 109.9 | F37 W356 | F37-R39 HydrophobicContact CD1-CG 4.47Å; F37-R39 HydrophobicContact CE1-CB 4.34Å; F37-R39 HydrophobicContact CE1-CG 3.66Å; F37-R39 HydrophobicContact CZ-CG 4.41Å; R39-W356 HydrophobicContact CG-CE3 4.48Å; R39-W356 HydrophobicContact CG-CH2 3.87Å; R39-W356 HydrophobicContact CG-CZ2 4.01Å; R39-W356 HydrophobicContact CG-CZ3 4.1Å |
| 40 | L | 91.3 | Very high | 74.5 | Confident | 6 Ų | 6 | 73.7 Ų | 73.7 | 3% | 0.031 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -51.9 | 132.6 | 175 | -72.1 | 177.6 | 0 | 0 | 0 | 109.8 | K42 K80 H82 T131 W194 E196 Y199 | L40-K42 PolarHBondContact O-N 2.82Å; L40-K80 HydrophobicContact CD2-CB 4.22Å; L40-K80 HydrophobicContact CD2-CD 4.19Å; L40-K80 HydrophobicContact CD2-CG 3.78Å; L40-H82 VanDerWaalsContact CD1-CD2 3.44Å; L40-H82 WeakPolarHBondContact CD1-CD2 3.36Å; L40-H82 WeakPolarHBondContact CD1-NE2 3.27Å; L40-H82 WeakPolarHBondContact CG-NE2 3.07Å; L40-T131 HydrophobicContact CD2-CG2 4.17Å; L40-W194 HydrophobicContact CD1-CB 4.3Å; L40-W194 HydrophobicContact CD1-CG 3.95Å; L40-E196 WeakPolarHBondContact CG-OE1 3.47Å; L40-E196 PolarHBondContact N-OE1 2.95Å; L40-Y199 HydrophobicContact CB-CE2 4.04Å; L40-Y199 HydrophobicContact CD1-CE2 4.39Å; L40-Y199 PolarHBondContact O-OH 2.94Å |
| 41 | P | 86.9 | Confident | 77.8 | Confident | 55 Ų | 55 | 67.7 Ų | 67.7 | 36% | 0.357 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 139.3 | -179.1 | 29 | -36.3 | 0 | 0 | 0 | 109.2 | I43 | P41-I43 HydrophobicContact CB-CD1 3.76Å; P41-I43 HydrophobicContact CB-CG1 3.93Å; P41-I43 HydrophobicContact CG-CD1 3.67Å; P41-I43 HydrophobicContact CG-CG1 4.19Å; P41-I43 PolarHBondContact O-N 2.82Å |
| 42 | K | 90.2 | Very high | 81 | Confident | 124 Ų | 124 | 66.6 Ų | 66.6 | 54% | 0.539 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | 61.9 | 175.2 | -64.8 | -170 | 177.5 | -170.1 | 0 | 111 | L40 E355 | L40-K42 PolarHBondContact O-N 2.82Å; K42-E355 IonicContact NZ-OE1 3.25Å |
| 43 | I | 93.7 | Very high | 84.3 | Confident | 35 Ų | 35 | 57.7 Ų | 57.7 | 18% | 0.179 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -43.5 | 178.9 | -70.5 | 171.2 | 0 | 0 | 0 | 110.2 | P41 L73 T76 | P41-I43 HydrophobicContact CB-CD1 3.76Å; P41-I43 HydrophobicContact CB-CG1 3.93Å; P41-I43 HydrophobicContact CG-CD1 3.67Å; P41-I43 HydrophobicContact CG-CG1 4.19Å; P41-I43 PolarHBondContact O-N 2.82Å; I43-L73 PolarHBondContact O-N 3.09Å; I43-T76 HydrophobicContact CG2-CG2 3.5Å; I43-T76 VanDerWaalsContact CG2-CG2 3.5Å |
| 44 | A | 94.5 | Very high | 87.1 | Confident | 2 Ų | 2 | 56 Ų | 56 | 2% | 0.017 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 140.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | E71 I72 L79 W194 | A44-E71 WeakPolarHBondContact CA-O 3.49Å; A44-I72 HydrophobicContact CB-CD1 3.68Å; A44-L79 HydrophobicContact CB-CD2 3.83Å; A44-W194 HydrophobicContact CB-CZ2 3.98Å; A44-W194 PolarHBondContact O-NE1 3.42Å; A44-W194 VanDerWaalsContact O-NE1 3.11Å |
| 45 | I | 96 | Very high | 89.5 | Confident | 47 Ų | 47 | 51.7 Ų | 51.7 | 24% | 0.241 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 131.7 | 177.4 | 58.5 | 175.8 | 0 | 0 | 0 | 109.8 | L70 E71 L73 Y199 | I45-L70 WeakPolarHBondContact O-CA 3.43Å; I45-E71 HydrophobicContact CD1-CB 4.16Å; I45-E71 HydrophobicContact CG1-CB 3.71Å; I45-E71 HydrophobicContact CG1-CG 4.44Å; I45-E71 PolarHBondContact N-O 2.94Å; I45-E71 PolarHBondContact O-N 2.82Å; I45-L73 HydrophobicContact CD1-CD2 4.1Å; I45-L73 HydrophobicContact CG1-CD2 4.34Å; I45-L73 HydrophobicContact CG2-CD1 3.84Å; I45-L73 HydrophobicContact CG2-CG 4.49Å; I45-Y199 HydrophobicContact CG2-CD1 4.17Å; I45-Y199 HydrophobicContact CG2-CE1 3.96Å |
| 46 | P | 98 | Very high | 91.5 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 139.8 | 174.2 | 34.3 | -39.2 | 0 | 0 | 0 | 110.8 | Y49 I68 L70 W194 A201 | P46-Y49 HydrophobicContact CB-CE2 3.62Å; P46-Y49 HydrophobicContact CG-CE2 4.17Å; P46-I68 HydrophobicContact CB-CG2 4.04Å; P46-L70 HydrophobicContact CB-CD2 4.26Å; P46-W194 HydrophobicContact CB-CE3 4.24Å; P46-W194 HydrophobicContact CG-CB 3.9Å; P46-W194 HydrophobicContact CG-CD2 4.3Å; P46-W194 HydrophobicContact CG-CE3 4.38Å; P46-W194 HydrophobicContact CG-CG 4.11Å; P46-A201 HydrophobicContact CB-CB 4.17Å; P46-A201 HydrophobicContact CG-CB 4.4Å |
| 47 | Q | 97.8 | Very high | 93.2 | Very high | 93 Ų | 93 | 45.5 Ų | 45.5 | 44% | 0.435 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | -38.8 | 174.6 | -63.4 | -63.3 | -37.4 | 0 | 0 | 110.9 | D69 E71 S202 | Q47-D69 PolarHBondContact N-O 2.84Å; Q47-E71 HydrophobicContact CG-CB 4.33Å; Q47-S202 PolarHBondContact O-N 2.98Å; Q47-S202 VanDerWaalsContact O-N 3.12Å; Q47-S202 PolarHBondContact O-OG 2.99Å |
| 48 | H | 98.6 | Very high | 94.5 | Very high | 7 Ų | 7 | 51.7 Ų | 51.7 | 3% | 0.032 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 140.8 | -176.7 | -180 | 65.5 | 0 | 0 | 0 | 111.9 | T50 I68 D69 S202 D204 R238 | H48-T50 PolarHBondContact NE2-OG1 2.83Å; H48-T50 VanDerWaalsContact NE2-OG1 3.16Å; H48-I68 CarbonylContact O-C 2.9Å; H48-I68 WeakPolarHBondContact O-CA 3.34Å; H48-D69 HydrophobicContact CB-CB 4.12Å; H48-D69 IonicContact CD2-OD2 2.94Å; H48-D69 IonicContact CG-OD2 3.94Å; H48-D69 PolarHBondContact N-O 2.73Å; H48-D69 PolarHBondContact O-N 3.33Å; H48-S202 CarbonylContact C-O 3.42Å; H48-S202 VanDerWaalsContact CA-O 3.3Å; H48-S202 WeakPolarHBondContact CA-O 3.27Å; H48-S202 PolarHBondContact ND1-O 2.72Å; H48-S202 VanDerWaalsContact ND1-O 3.16Å; H48-S202 PolarHBondContact ND1-OG 3Å; H48-D204 PolarHBondContact CE1-N 3.47Å; H48-D204 IonicContact CE1-OD1 3.58Å; H48-D204 PolarHBondContact CE1-OD1 3.41Å; H48-D204 IonicContact CE1-OD2 3.31Å; H48-D204 PolarHBondContact CE1-OD2 2.95Å; H48-D204 IonicContact NE2-OD2 2.79Å; H48-D204 PolarHBondContact NE2-OD2 3.16Å; H48-R238 PolarHBondContact CE1-NE 3.16Å; H48-R238 VanDerWaalsContact CE1-NE 3.3Å; H48-R238 PolarHBondContact CE1-NH2 3.26Å; H48-R238 PolarHBondContact NE2-NH2 3.1Å |
| 49 | Y | 98.8 | Very high | 95.6 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.008 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 121.9 | 171.4 | -67.2 | -101.3 | 0 | 0 | 0 | 109.6 | P46 I68 F191 C193 W194 A201 S202 F203 D204 | P46-Y49 HydrophobicContact CB-CE2 3.62Å; P46-Y49 HydrophobicContact CG-CE2 4.17Å; Y49-I68 HydrophobicContact CD1-CB 4.38Å; Y49-I68 HydrophobicContact CD1-CD1 3.94Å; Y49-I68 HydrophobicContact CD1-CG1 3.66Å; Y49-I68 HydrophobicContact CD1-CG2 4Å; Y49-I68 HydrophobicContact CE1-CB 4.42Å; Y49-I68 HydrophobicContact CE1-CD1 3.56Å; Y49-I68 HydrophobicContact CE1-CG1 3.78Å; Y49-I68 HydrophobicContact CE1-CG2 3.78Å; Y49-I68 HydrophobicContact CE2-CG2 4.42Å; Y49-I68 HydrophobicContact CG-CG2 4.4Å; Y49-F191 HydrophobicContact CD1-CE2 4.42Å; Y49-F191 HydrophobicContact CE1-CE2 4.38Å; Y49-C193 HydrophobicContact CE1-CB 3.8Å; Y49-W194 PolarHBondContact OH-N 2.98Å; Y49-W194 VanDerWaalsContact OH-N 3.1Å; Y49-A201 HydrophobicContact CD2-CB 3.6Å; Y49-A201 HydrophobicContact CE2-CB 3.51Å; Y49-S202 PolarHBondContact N-O 2.82Å; Y49-F203 HydrophobicContact CD1-CE1 4.22Å; Y49-F203 AromaticContact CD2-CD1 3.94Å; Y49-F203 HydrophobicContact CD2-CD1 3.94Å; Y49-F203 AromaticContact CD2-CE1 3.38Å; Y49-F203 HydrophobicContact CD2-CE1 3.38Å; Y49-F203 HydrophobicContact CD2-CE2 4.25Å; Y49-F203 AromaticContact CD2-CZ 3.56Å; Y49-F203 HydrophobicContact CD2-CZ 3.56Å; Y49-F203 AromaticContact CE2-CE1 3.97Å; Y49-F203 HydrophobicContact CE2-CE1 3.97Å; Y49-F203 AromaticContact CE2-CZ 3.84Å; Y49-F203 HydrophobicContact CE2-CZ 3.84Å; Y49-F203 AromaticContact CG-CD1 3.87Å; Y49-F203 HydrophobicContact CG-CD1 3.87Å; Y49-F203 AromaticContact CG-CE1 3.54Å; Y49-F203 HydrophobicContact CG-CE1 3.54Å; Y49-F203 HydrophobicContact CG-CZ 4.21Å; Y49-F203 CarbonylContact O-C 3.49Å; Y49-F203 WeakPolarHBondContact O-CA 3.23Å; Y49-D204 PolarHBondContact O-N 3.39Å |
| 50 | T | 98.8 | Very high | 96.1 | Very high | 56 Ų | 56 | 45 Ų | 45 | 34% | 0.344 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 102.5 | 162 | -54.4 | 0 | 0 | 0 | 0 | 107.8 | H48 E66 K67 D204 | H48-T50 PolarHBondContact NE2-OG1 2.83Å; H48-T50 VanDerWaalsContact NE2-OG1 3.16Å; T50-E66 CarbonylContact O-C 3.59Å; T50-E66 WeakPolarHBondContact O-CA 3.4Å; T50-K67 PolarHBondContact N-O 2.97Å; T50-K67 PolarHBondContact O-N 2.82Å; T50-D204 HydrophobicContact CG2-CB 4.48Å |
| 51 | L | 98.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 120.9 | -170.5 | 177.7 | 61.6 | 0 | 0 | 0 | 111.2 | L53 E66 F151 F191 D204 I205 T206 | L51-L53 HydrophobicContact CD1-CD1 4.38Å; L51-L53 HydrophobicContact CD1-CD2 4.19Å; L51-L53 HydrophobicContact CD1-CG 4.02Å; L51-L53 HydrophobicContact CD2-CD1 3.97Å; L51-L53 HydrophobicContact CD2-CG 4.46Å; L51-L53 HydrophobicContact CG-CD1 4.13Å; L51-L53 HydrophobicContact CG-CG 4.08Å; L51-E66 HydrophobicContact CD1-CB 4Å; L51-F151 HydrophobicContact CD1-CZ 4.04Å; L51-F191 HydrophobicContact CD1-CB 3.99Å; L51-F191 HydrophobicContact CD1-CG 4.26Å; L51-F191 HydrophobicContact CD2-CD1 3.8Å; L51-F191 HydrophobicContact CD2-CD2 4.3Å; L51-F191 HydrophobicContact CD2-CE1 4.08Å; L51-F191 HydrophobicContact CD2-CG 3.95Å; L51-F191 HydrophobicContact CD2-CZ 4.44Å; L51-D204 PolarHBondContact N-O 2.85Å; L51-I205 CarbonylContact O-C 3.53Å; L51-I205 WeakPolarHBondContact O-CA 3.41Å; L51-T206 PolarHBondContact O-N 3.18Å |
| 52 | K | 98.8 | Very high | 96.9 | Very high | 99 Ų | 99 | 44 Ų | 44 | 43% | 0.43 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 123.5 | 173.2 | -177.4 | 174.3 | -179.4 | 176.4 | 0 | 110.3 | G64 V65 T206 V208 | K52-G64 VanDerWaalsContact O-CA 3.3Å; K52-G64 WeakPolarHBondContact O-CA 3.44Å; K52-V65 PolarHBondContact N-O 2.77Å; K52-V65 PolarHBondContact O-N 3.36Å; K52-T206 WeakPolarHBondContact CA-O 3.35Å; K52-T206 HydrophobicContact CD-CG2 4.3Å; K52-T206 HydrophobicContact CG-CG2 4.05Å; K52-V208 HydrophobicContact CD-CG2 4.45Å; K52-V208 HydrophobicContact CG-CG2 4.4Å |
| 53 | L | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 145.3 | -178.8 | -68 | 166.4 | 0 | 0 | 0 | 111.7 | L51 F62 A63 F151 T206 L207 V208 F249 | L51-L53 HydrophobicContact CD1-CD1 4.38Å; L51-L53 HydrophobicContact CD1-CD2 4.19Å; L51-L53 HydrophobicContact CD1-CG 4.02Å; L51-L53 HydrophobicContact CD2-CD1 3.97Å; L51-L53 HydrophobicContact CD2-CG 4.46Å; L51-L53 HydrophobicContact CG-CD1 4.13Å; L51-L53 HydrophobicContact CG-CG 4.08Å; L53-F62 HydrophobicContact CD2-CD2 4.07Å; L53-F62 HydrophobicContact CD2-CE2 4.33Å; L53-A63 CarbonylContact C-O 3.53Å; L53-A63 WeakPolarHBondContact CA-O 3.33Å; L53-F151 HydrophobicContact CD2-CE2 3.99Å; L53-F151 HydrophobicContact CD2-CZ 4.07Å; L53-T206 PolarHBondContact N-O 2.94Å; L53-L207 HydrophobicContact CB-CD2 4.03Å; L53-L207 WeakPolarHBondContact O-CA 3.21Å; L53-V208 PolarHBondContact O-N 2.96Å; L53-F249 HydrophobicContact CD1-CD1 4.38Å; L53-F249 HydrophobicContact CD1-CD2 4.48Å; L53-F249 HydrophobicContact CD1-CE1 3.62Å; L53-F249 HydrophobicContact CD1-CE2 3.72Å; L53-F249 HydrophobicContact CD1-CZ 3.23Å |
| 54 | Q | 98.2 | Very high | 97.6 | Very high | 54 Ų | 54 | 38 Ų | 38 | 25% | 0.252 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 102.8 | 175.4 | -175.3 | 171.4 | 3.2 | 0 | 0 | 110 | F56 F62 A63 V208 W231 | Q54-F56 HydrophobicContact CB-CE2 4.44Å; Q54-F56 HydrophobicContact CB-CZ 4.28Å; Q54-F56 VanDerWaalsContact CD-CZ 3.41Å; Q54-F56 HydrophobicContact CG-CE1 3.87Å; Q54-F56 HydrophobicContact CG-CE2 4.09Å; Q54-F56 HydrophobicContact CG-CZ 3.57Å; Q54-F56 WeakPolarHBondContact O-CE2 3.41Å; Q54-F62 CarbonylContact O-C 3.55Å; Q54-F62 WeakPolarHBondContact O-CA 3.07Å; Q54-F62 WeakPolarHBondContact O-CB 3.46Å; Q54-A63 PolarHBondContact N-O 2.8Å; Q54-A63 PolarHBondContact O-N 2.89Å; Q54-V208 HydrophobicContact CB-CB 4.02Å; Q54-V208 HydrophobicContact CG-CB 3.94Å; Q54-V208 HydrophobicContact CG-CG1 4.12Å; Q54-W231 HydrophobicContact CG-CE3 4.43Å; Q54-W231 HydrophobicContact CG-CH2 4.25Å; Q54-W231 HydrophobicContact CG-CZ3 3.84Å |
| 55 | P | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 141.5 | 171.9 | 29.8 | -32.5 | 0 | 0 | 0 | 112.5 | F62 L155 F162 A178 V208 V251 | P55-F62 HydrophobicContact CB-CB 4.46Å; P55-L155 HydrophobicContact CB-CD1 3.98Å; P55-F162 HydrophobicContact CB-CE1 4.02Å; P55-F162 HydrophobicContact CB-CZ 3.77Å; P55-F162 HydrophobicContact CG-CZ 4.05Å; P55-A178 HydrophobicContact CB-CB 4.47Å; P55-V208 WeakPolarHBondContact CD-O 3.44Å; P55-V251 HydrophobicContact CG-CB 4.39Å; P55-V251 HydrophobicContact CG-CG1 4.47Å; P55-V251 HydrophobicContact CG-CG2 4.03Å |
| 56 | F | 97.7 | Very high | 97.9 | Very high | 53 Ų | 53 | 39.2 Ų | 39.2 | 23% | 0.232 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 120.6 | 176.6 | -58.2 | -78 | 0 | 0 | 0 | 109.9 | Q54 N59 F60 T61 A63 W231 | Q54-F56 HydrophobicContact CB-CE2 4.44Å; Q54-F56 HydrophobicContact CB-CZ 4.28Å; Q54-F56 VanDerWaalsContact CD-CZ 3.41Å; Q54-F56 HydrophobicContact CG-CE1 3.87Å; Q54-F56 HydrophobicContact CG-CE2 4.09Å; Q54-F56 HydrophobicContact CG-CZ 3.57Å; Q54-F56 WeakPolarHBondContact O-CE2 3.41Å; F56-N59 WeakPolarHBondContact CB-OD1 3.33Å; F56-F60 VanDerWaalsContact O-CA 3.23Å; F56-F60 WeakPolarHBondContact O-CA 3.21Å; F56-F60 PolarHBondContact O-N 3.32Å; F56-F60 VanDerWaalsContact O-N 3.09Å; F56-T61 PolarHBondContact N-O 2.75Å; F56-T61 PolarHBondContact O-N 3.48Å; F56-A63 HydrophobicContact CE2-CB 4.03Å; F56-W231 AromaticContact CD1-CH2 3.78Å; F56-W231 HydrophobicContact CD1-CH2 3.78Å; F56-W231 HydrophobicContact CD1-CZ2 4.09Å; F56-W231 AromaticContact CE1-CH2 3.93Å; F56-W231 HydrophobicContact CE1-CH2 3.93Å; F56-W231 HydrophobicContact CE1-CZ2 4.12Å |
| 57 | F | 95.4 | Very high | 97.9 | Very high | 26 Ų | 26 | 43.5 Ų | 43.5 | 11% | 0.114 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -13.8 | -175.5 | -72.8 | -81.1 | 0 | 0 | 0 | 113 | A178 K213 V251 | F57-A178 HydrophobicContact CE1-CB 4.01Å; F57-A178 HydrophobicContact CZ-CB 3.84Å; F57-K213 HydrophobicContact CD2-CD 4.07Å; F57-K213 HydrophobicContact CE2-CD 3.58Å; F57-K213 HydrophobicContact CZ-CD 4.14Å; F57-V251 HydrophobicContact CE2-CG1 3.88Å; F57-V251 HydrophobicContact CZ-CB 4.27Å; F57-V251 HydrophobicContact CZ-CG1 4.05Å |
| 58 | E | 94 | Very high | 98 | Very high | 147 Ų | 147 | 39.1 Ų | 39.1 | 69% | 0.687 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -38.7 | -179.8 | -57.5 | 74.5 | -163.6 | 0 | 0 | 111.5 | ||
| 59 | N | 96.1 | Very high | 97.9 | Very high | 97 Ų | 97 | 39.7 Ų | 39.7 | 52% | 0.519 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121 | 1.6 | -178.8 | 71 | -5.3 | 0 | 0 | 0 | 113.4 | F56 T61 | F56-N59 WeakPolarHBondContact CB-OD1 3.33Å; N59-T61 PolarHBondContact ND2-OG1 2.84Å; N59-T61 PolarHBondContact O-N 3.38Å; N59-T61 PolarHBondContact OD1-N 2.83Å; N59-T61 VanDerWaalsContact OD1-N 3.16Å; N59-T61 PolarHBondContact OD1-OG1 2.82Å |
| 60 | F | 97.1 | Very high | 97.9 | Very high | 36 Ų | 36 | 39.8 Ų | 39.8 | 16% | 0.158 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 48.9 | -177.8 | -57.6 | -68.9 | 0 | 0 | 0 | 113.5 | F56 L155 R164 Y176 | F56-F60 VanDerWaalsContact O-CA 3.23Å; F56-F60 WeakPolarHBondContact O-CA 3.21Å; F56-F60 PolarHBondContact O-N 3.32Å; F56-F60 VanDerWaalsContact O-N 3.09Å; F60-L155 HydrophobicContact CB-CB 4.12Å; F60-L155 WeakPolarHBondContact O-CB 3.28Å; F60-L155 PolarHBondContact O-N 2.96Å; F60-R164 HydrophobicContact CD1-CB 4.09Å; F60-R164 HydrophobicContact CD1-CG 4.27Å; F60-R164 HydrophobicContact CE1-CB 4.4Å; F60-Y176 AromaticContact CE1-CD1 3.66Å; F60-Y176 HydrophobicContact CE1-CD1 3.66Å; F60-Y176 HydrophobicContact CE1-CD2 4.21Å; F60-Y176 AromaticContact CE1-CE1 4Å; F60-Y176 HydrophobicContact CE1-CE1 4Å; F60-Y176 AromaticContact CE1-CG 3.78Å; F60-Y176 HydrophobicContact CE1-CG 3.78Å; F60-Y176 AromaticContact CZ-CD1 3.75Å; F60-Y176 HydrophobicContact CZ-CD1 3.75Å; F60-Y176 HydrophobicContact CZ-CD2 4.01Å; F60-Y176 AromaticContact CZ-CE1 3.61Å; F60-Y176 HydrophobicContact CZ-CE1 3.61Å; F60-Y176 AromaticContact CZ-CE2 3.88Å; F60-Y176 HydrophobicContact CZ-CE2 3.88Å; F60-Y176 AromaticContact CZ-CG 3.96Å; F60-Y176 HydrophobicContact CZ-CG 3.96Å; F60-Y176 AromaticContact CZ-CZ 3.67Å |
| 61 | T | 98.2 | Very high | 97.7 | Very high | 39 Ų | 39 | 40.6 Ų | 40.6 | 24% | 0.239 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 173.2 | 172.9 | 62.3 | 0 | 0 | 0 | 0 | 109.9 | F56 N59 G153 | F56-T61 PolarHBondContact N-O 2.75Å; F56-T61 PolarHBondContact O-N 3.48Å; N59-T61 PolarHBondContact ND2-OG1 2.84Å; N59-T61 PolarHBondContact O-N 3.38Å; N59-T61 PolarHBondContact OD1-N 2.83Å; N59-T61 VanDerWaalsContact OD1-N 3.16Å; N59-T61 PolarHBondContact OD1-OG1 2.82Å; T61-G153 CarbonylContact C-O 3.54Å; T61-G153 WeakPolarHBondContact CA-O 3Å; T61-G153 WeakPolarHBondContact CB-O 2.71Å |
| 62 | F | 98.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 154.1 | 166.3 | 63.3 | -91.5 | 0 | 0 | 0 | 110.5 | L53 Q54 P55 I86 F151 T152 G153 L155 F162 A190 | L53-F62 HydrophobicContact CD2-CD2 4.07Å; L53-F62 HydrophobicContact CD2-CE2 4.33Å; Q54-F62 CarbonylContact O-C 3.55Å; Q54-F62 WeakPolarHBondContact O-CA 3.07Å; Q54-F62 WeakPolarHBondContact O-CB 3.46Å; P55-F62 HydrophobicContact CB-CB 4.46Å; F62-I86 HydrophobicContact CE2-CD1 3.96Å; F62-I86 HydrophobicContact CZ-CD1 3.6Å; F62-F151 HydrophobicContact CE2-CD2 4.44Å; F62-F151 HydrophobicContact CE2-CE2 4.12Å; F62-T152 WeakPolarHBondContact O-CA 3.49Å; F62-G153 VanDerWaalsContact CE1-C 3.41Å; F62-G153 PolarHBondContact N-O 2.94Å; F62-G153 PolarHBondContact O-N 3.01Å; F62-L155 HydrophobicContact CD1-CD2 3.92Å; F62-L155 HydrophobicContact CD1-CG 4.2Å; F62-F162 HydrophobicContact CB-CD1 4.16Å; F62-F162 HydrophobicContact CB-CE1 3.91Å; F62-F162 AromaticContact CD1-CD1 3.49Å; F62-F162 HydrophobicContact CD1-CD1 3.49Å; F62-F162 VanDerWaalsContact CD1-CD1 3.49Å; F62-F162 HydrophobicContact CD1-CE1 4.11Å; F62-F162 HydrophobicContact CD1-CG 4.3Å; F62-F162 HydrophobicContact CD2-CD1 4.08Å; F62-F162 HydrophobicContact CD2-CE1 4.46Å; F62-F162 HydrophobicContact CE1-CB 4.04Å; F62-F162 AromaticContact CE1-CD1 3.78Å; F62-F162 HydrophobicContact CE1-CD1 3.78Å; F62-F162 HydrophobicContact CE1-CG 4.31Å; F62-F162 HydrophobicContact CE2-CD1 4.35Å; F62-F162 AromaticContact CG-CD1 3.64Å; F62-F162 HydrophobicContact CG-CD1 3.64Å; F62-F162 AromaticContact CG-CE1 3.91Å; F62-F162 HydrophobicContact CG-CE1 3.91Å; F62-F162 HydrophobicContact CZ-CB 4.4Å; F62-F162 HydrophobicContact CZ-CD1 4.19Å; F62-A190 WeakPolarHBondContact CE2-O 3.4Å |
| 63 | A | 98.6 | Very high | 97.4 | Very high | 30 Ų | 30 | 39.4 Ų | 39.4 | 25% | 0.248 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 146.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | L53 Q54 F56 | L53-A63 CarbonylContact C-O 3.53Å; L53-A63 WeakPolarHBondContact CA-O 3.33Å; Q54-A63 PolarHBondContact N-O 2.8Å; Q54-A63 PolarHBondContact O-N 2.89Å; F56-A63 HydrophobicContact CE2-CB 4.03Å |
| 64 | G | 98.7 | Very high | 97.2 | Very high | 3 Ų | 3 | 45.5 Ų | 45.5 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 145.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K52 K150 F151 | K52-G64 VanDerWaalsContact O-CA 3.3Å; K52-G64 WeakPolarHBondContact O-CA 3.44Å; G64-K150 WeakPolarHBondContact O-CA 3.3Å; G64-F151 PolarHBondContact N-O 3.23Å; G64-F151 PolarHBondContact O-N 2.75Å |
| 65 | V | 98.8 | Very high | 97 | Very high | 75 Ų | 75 | 46.8 Ų | 46.8 | 46% | 0.455 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 132 | 166.2 | -179.5 | 0 | 0 | 0 | 0 | 107.1 | K52 L149 K150 | K52-V65 PolarHBondContact N-O 2.77Å; K52-V65 PolarHBondContact O-N 3.36Å; V65-L149 WeakPolarHBondContact CA-O 3.27Å; V65-K150 HydrophobicContact CG2-CB 4.44Å; V65-K150 HydrophobicContact CG2-CG 4.08Å |
| 66 | E | 98.5 | Very high | 96.9 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 156.9 | 177 | 71.2 | -172 | 159.8 | 0 | 0 | 113.2 | T50 L51 I68 S148 L149 F151 P192 | T50-E66 CarbonylContact O-C 3.59Å; T50-E66 WeakPolarHBondContact O-CA 3.4Å; L51-E66 HydrophobicContact CD1-CB 4Å; E66-I68 HydrophobicContact CG-CD1 4.48Å; E66-I68 HydrophobicContact CG-CG1 4.25Å; E66-S148 WeakPolarHBondContact O-CA 3.21Å; E66-L149 HydrophobicContact CG-CB 3.84Å; E66-L149 HydrophobicContact CG-CD1 4.38Å; E66-L149 PolarHBondContact N-O 3.4Å; E66-L149 PolarHBondContact O-N 3.3Å; E66-L149 WeakPolarHBondContact OE1-CD1 3.29Å; E66-F151 HydrophobicContact CB-CE1 4.33Å; E66-F151 HydrophobicContact CG-CE1 3.92Å; E66-P192 VanDerWaalsContact OE1-CD 3.26Å; E66-P192 WeakPolarHBondContact OE1-CD 3.21Å |
| 67 | K | 98.6 | Very high | 96.8 | Very high | 94 Ų | 94 | 48.7 Ų | 48.7 | 41% | 0.409 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 131.8 | 164.2 | -64.8 | -179.6 | 172.5 | -168.5 | 0 | 108.3 | T50 Q146 L147 | T50-K67 PolarHBondContact N-O 2.97Å; T50-K67 PolarHBondContact O-N 2.82Å; K67-Q146 HydrophobicContact CB-CG 4.25Å; K67-L147 CarbonylContact C-O 3.55Å; K67-L147 VanDerWaalsContact CA-O 3.27Å; K67-L147 WeakPolarHBondContact CA-O 3.34Å |
| 68 | I | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 114.6 | -179.9 | -45.1 | 175.1 | 0 | 0 | 0 | 107.3 | P46 H48 Y49 E66 L70 Q146 L147 L149 W194 | P46-I68 HydrophobicContact CB-CG2 4.04Å; H48-I68 CarbonylContact O-C 2.9Å; H48-I68 WeakPolarHBondContact O-CA 3.34Å; Y49-I68 HydrophobicContact CD1-CB 4.38Å; Y49-I68 HydrophobicContact CD1-CD1 3.94Å; Y49-I68 HydrophobicContact CD1-CG1 3.66Å; Y49-I68 HydrophobicContact CD1-CG2 4Å; Y49-I68 HydrophobicContact CE1-CB 4.42Å; Y49-I68 HydrophobicContact CE1-CD1 3.56Å; Y49-I68 HydrophobicContact CE1-CG1 3.78Å; Y49-I68 HydrophobicContact CE1-CG2 3.78Å; Y49-I68 HydrophobicContact CE2-CG2 4.42Å; Y49-I68 HydrophobicContact CG-CG2 4.4Å; E66-I68 HydrophobicContact CG-CD1 4.48Å; E66-I68 HydrophobicContact CG-CG1 4.25Å; I68-L70 HydrophobicContact CB-CD2 4.32Å; I68-L70 HydrophobicContact CG2-CD2 3.57Å; I68-L70 HydrophobicContact CG2-CG 4.28Å; I68-Q146 CarbonylContact O-C 3.55Å; I68-Q146 WeakPolarHBondContact O-CA 3.47Å; I68-L147 HydrophobicContact CB-CB 4.35Å; I68-L147 HydrophobicContact CD1-CD2 4.27Å; I68-L147 PolarHBondContact N-O 3.25Å; I68-L147 PolarHBondContact O-N 3.16Å; I68-L149 HydrophobicContact CD1-CD1 4.21Å; I68-W194 HydrophobicContact CD1-CZ3 4.16Å; I68-W194 HydrophobicContact CG2-CZ3 4.29Å |
| 69 | D | 98.2 | Very high | 96.9 | Very high | 19 Ų | 19 | 42.2 Ų | 42.2 | 10% | 0.102 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 122.1 | 170.1 | -59 | -32.6 | 0 | 0 | 0 | 107.8 | Q47 H48 Q146 | Q47-D69 PolarHBondContact N-O 2.84Å; H48-D69 HydrophobicContact CB-CB 4.12Å; H48-D69 IonicContact CD2-OD2 2.94Å; H48-D69 IonicContact CG-OD2 3.94Å; H48-D69 PolarHBondContact N-O 2.73Å; H48-D69 PolarHBondContact O-N 3.33Å; D69-Q146 PolarHBondContact OD1-NE2 2.81Å |
| 70 | L | 97.2 | Very high | 96.9 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 146.6 | -174.8 | -58.6 | 176.5 | 0 | 0 | 0 | 110.1 | I45 P46 I68 I72 L79 P144 A145 L147 W194 | I45-L70 WeakPolarHBondContact O-CA 3.43Å; P46-L70 HydrophobicContact CB-CD2 4.26Å; I68-L70 HydrophobicContact CB-CD2 4.32Å; I68-L70 HydrophobicContact CG2-CD2 3.57Å; I68-L70 HydrophobicContact CG2-CG 4.28Å; L70-I72 HydrophobicContact CB-CD1 4.36Å; L70-L79 HydrophobicContact CD1-CD1 4.31Å; L70-P144 WeakPolarHBondContact O-CA 3.4Å; L70-A145 HydrophobicContact CB-CB 4.39Å; L70-A145 PolarHBondContact N-O 3.4Å; L70-A145 PolarHBondContact O-N 3.28Å; L70-L147 HydrophobicContact CD1-CB 3.87Å; L70-L147 HydrophobicContact CD1-CD2 4.49Å; L70-W194 HydrophobicContact CD1-CH2 3.8Å; L70-W194 HydrophobicContact CD1-CZ3 4.47Å; L70-W194 HydrophobicContact CD2-CE3 4.22Å; L70-W194 HydrophobicContact CD2-CH2 3.44Å; L70-W194 VanDerWaalsContact CD2-CH2 3.44Å; L70-W194 HydrophobicContact CD2-CZ2 4.1Å; L70-W194 HydrophobicContact CD2-CZ3 3.5Å; L70-W194 HydrophobicContact CG-CH2 4.29Å |
| 71 | E | 96 | Very high | 96.9 | Very high | 73 Ų | 73 | 38.6 Ų | 38.6 | 34% | 0.341 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 116.9 | 159.7 | -178.3 | 71.6 | -176 | 0 | 0 | 108.3 | A44 I45 Q47 L73 | A44-E71 WeakPolarHBondContact CA-O 3.49Å; I45-E71 HydrophobicContact CD1-CB 4.16Å; I45-E71 HydrophobicContact CG1-CB 3.71Å; I45-E71 HydrophobicContact CG1-CG 4.44Å; I45-E71 PolarHBondContact N-O 2.94Å; I45-E71 PolarHBondContact O-N 2.82Å; Q47-E71 HydrophobicContact CG-CB 4.33Å; E71-L73 HydrophobicContact CG-CD2 4.07Å |
| 72 | I | 95.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 123.1 | 174.4 | -52.8 | -56.9 | 0 | 0 | 0 | 108.2 | A44 L70 K74 T76 L79 I140 P142 G143 A145 | A44-I72 HydrophobicContact CB-CD1 3.68Å; L70-I72 HydrophobicContact CB-CD1 4.36Å; I72-K74 WeakPolarHBondContact CG2-O 3.33Å; I72-T76 HydrophobicContact CG2-CG2 4.2Å; I72-L79 HydrophobicContact CD1-CD2 4.15Å; I72-I140 HydrophobicContact CD1-CD1 3.72Å; I72-I140 HydrophobicContact CG1-CD1 3.73Å; I72-I140 HydrophobicContact CG1-CG1 4.39Å; I72-I140 HydrophobicContact CG2-CD1 4.48Å; I72-I140 HydrophobicContact CG2-CG1 4.34Å; I72-P142 CarbonylContact O-C 2.92Å; I72-P142 WeakPolarHBondContact O-CA 3.3Å; I72-P142 WeakPolarHBondContact O-CB 3.3Å; I72-G143 WeakPolarHBondContact CB-O 3.18Å; I72-G143 WeakPolarHBondContact CG1-O 3.12Å; I72-G143 PolarHBondContact N-O 2.96Å; I72-G143 PolarHBondContact O-N 3.04Å; I72-A145 HydrophobicContact CD1-CB 4.1Å; I72-A145 HydrophobicContact CG1-CB 3.84Å |
| 73 | L | 95.5 | Very high | 96.7 | Very high | 75 Ų | 75 | 37 Ų | 37 | 39% | 0.393 | 20% | 0.195 | S | C | . | . | trans | -94.2 | -28.4 | -174.9 | -59.1 | -178.2 | 0 | 0 | 0 | 112.9 | I43 I45 E71 | I43-L73 PolarHBondContact O-N 3.09Å; I45-L73 HydrophobicContact CD1-CD2 4.1Å; I45-L73 HydrophobicContact CG1-CD2 4.34Å; I45-L73 HydrophobicContact CG2-CD1 3.84Å; I45-L73 HydrophobicContact CG2-CG 4.49Å; E71-L73 HydrophobicContact CG-CD2 4.07Å | ||
| 74 | K | 94.4 | Very high | 96.4 | Very high | 128 Ų | 128 | 36 Ų | 36 | 56% | 0.557 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -138.9 | 147.5 | -176.6 | -62.3 | -178.5 | -175.8 | 178.3 | 0 | 109.7 | I72 T76 | I72-K74 WeakPolarHBondContact CG2-O 3.33Å; K74-T76 PolarHBondContact O-N 2.9Å |
| 75 | P | 94.2 | Very high | 96.2 | Very high | 82 Ų | 82 | 39.7 Ų | 39.7 | 53% | 0.532 | 20% | 0.204 | S | C | . | . | trans | -51.6 | 129.6 | 170.4 | -21.4 | 30.7 | 0 | 0 | 0 | 110.3 | I140 P142 | P75-I140 WeakPolarHBondContact CA-O 3.4Å; P75-P142 HydrophobicContact CG-CG 4.2Å | ||
| 76 | T | 95.4 | Very high | 96 | Very high | 8 Ų | 8 | 36.7 Ų | 36.7 | 5% | 0.049 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 142 | -176.8 | -170 | 0 | 0 | 0 | 0 | 111.9 | I43 I72 K74 V78 L79 D139 I140 | I43-T76 HydrophobicContact CG2-CG2 3.5Å; I43-T76 VanDerWaalsContact CG2-CG2 3.5Å; I72-T76 HydrophobicContact CG2-CG2 4.2Å; K74-T76 PolarHBondContact O-N 2.9Å; T76-V78 WeakPolarHBondContact OG1-CG1 3.45Å; T76-V78 PolarHBondContact OG1-N 2.83Å; T76-V78 PolarHBondContact OG1-O 3.28Å; T76-L79 HydrophobicContact CG2-CD2 4.32Å; T76-D139 CarbonylContact O-C 2.97Å; T76-D139 VanDerWaalsContact O-CA 3.28Å; T76-D139 WeakPolarHBondContact O-CA 3.44Å; T76-I140 HydrophobicContact CG2-CD1 4.32Å; T76-I140 HydrophobicContact CG2-CG1 3.9Å; T76-I140 PolarHBondContact N-O 2.85Å; T76-I140 VanDerWaalsContact N-O 3.16Å; T76-I140 WeakPolarHBondContact O-CG1 3.19Å; T76-I140 PolarHBondContact O-N 3.02Å |
| 77 | N | 95 | Very high | 96 | Very high | 85 Ų | 85 | 41 Ų | 41 | 46% | 0.455 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 11.8 | 163.8 | 61.5 | -0.1 | 0 | 0 | 0 | 112.1 | L136 D139 | N77-L136 HydrophobicContact CB-CB 4.45Å; N77-L136 WeakPolarHBondContact O-CA 3.48Å; N77-L136 WeakPolarHBondContact O-CB 3.46Å; N77-L136 PolarHBondContact O-N 2.84Å; N77-D139 WeakPolarHBondContact CB-OD1 3.34Å; N77-D139 PolarHBondContact N-OD1 2.96Å; N77-D139 VanDerWaalsContact N-OD1 3.15Å |
| 78 | V | 95.4 | Very high | 96 | Very high | 34 Ų | 34 | 37 Ų | 37 | 21% | 0.206 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 137.4 | -178 | 62.1 | 0 | 0 | 0 | 0 | 110.9 | T76 E133 L134 | T76-V78 WeakPolarHBondContact OG1-CG1 3.45Å; T76-V78 PolarHBondContact OG1-N 2.83Å; T76-V78 PolarHBondContact OG1-O 3.28Å; V78-E133 HydrophobicContact CG2-CG 3.32Å; V78-E133 VanDerWaalsContact CG2-OE1 3.23Å; V78-E133 WeakPolarHBondContact CG2-OE1 3.37Å; V78-L134 WeakPolarHBondContact CA-O 3.11Å |
| 79 | L | 96 | Very high | 95.9 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 125.8 | 168.9 | -68.4 | 178.3 | 0 | 0 | 0 | 109.6 | A44 L70 I72 T76 I93 E133 L134 L136 | A44-L79 HydrophobicContact CB-CD2 3.83Å; L70-L79 HydrophobicContact CD1-CD1 4.31Å; I72-L79 HydrophobicContact CD1-CD2 4.15Å; T76-L79 HydrophobicContact CG2-CD2 4.32Å; L79-I93 HydrophobicContact CD1-CD1 3.22Å; L79-E133 CarbonylContact O-C 3.46Å; L79-E133 WeakPolarHBondContact O-CA 3.28Å; L79-L134 HydrophobicContact CB-CB 4.45Å; L79-L134 PolarHBondContact N-O 2.92Å; L79-L134 PolarHBondContact O-N 2.93Å; L79-L136 HydrophobicContact CG-CD1 4.41Å |
| 80 | K | 96.2 | Very high | 95.9 | Very high | 58 Ų | 58 | 45.2 Ų | 45.2 | 25% | 0.252 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 132 | -179.9 | -168.8 | 178.4 | -179.6 | 179.5 | 0 | 109.4 | L40 A132 | L40-K80 HydrophobicContact CD2-CB 4.22Å; L40-K80 HydrophobicContact CD2-CD 4.19Å; L40-K80 HydrophobicContact CD2-CG 3.78Å; K80-A132 WeakPolarHBondContact CA-O 3.19Å |
| 81 | F | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 170.9 | 178.5 | 48.6 | -95.2 | 0 | 0 | 0 | 110.4 | I88 T131 A132 L134 L147 L149 P192 W194 | F81-I88 HydrophobicContact CE2-CD1 3.8Å; F81-I88 HydrophobicContact CZ-CD1 4.18Å; F81-T131 CarbonylContact O-C 3.39Å; F81-T131 VanDerWaalsContact O-CA 3.24Å; F81-T131 WeakPolarHBondContact O-CA 3.44Å; F81-T131 WeakPolarHBondContact O-CB 3.43Å; F81-A132 HydrophobicContact CD2-CB 4.18Å; F81-A132 HydrophobicContact CE2-CB 3.67Å; F81-A132 HydrophobicContact CZ-CB 4.19Å; F81-A132 PolarHBondContact N-O 2.94Å; F81-A132 PolarHBondContact O-N 2.94Å; F81-L134 HydrophobicContact CE1-CD1 3.74Å; F81-L134 HydrophobicContact CE1-CG 3.79Å; F81-L134 HydrophobicContact CZ-CD1 4.09Å; F81-L134 HydrophobicContact CZ-CD2 4.44Å; F81-L134 HydrophobicContact CZ-CG 4.03Å; F81-L147 HydrophobicContact CD1-CD2 4.17Å; F81-L147 HydrophobicContact CE1-CD2 3.88Å; F81-L149 HydrophobicContact CE2-CD1 4.4Å; F81-L149 HydrophobicContact CZ-CD1 4.26Å; F81-L149 HydrophobicContact CZ-CD2 4.44Å; F81-P192 HydrophobicContact CD2-CB 3.77Å; F81-P192 HydrophobicContact CE2-CB 3.62Å; F81-W194 HydrophobicContact CB-CD2 4.29Å; F81-W194 HydrophobicContact CB-CE3 4.19Å; F81-W194 HydrophobicContact CB-CH2 4.3Å; F81-W194 HydrophobicContact CB-CZ2 4.42Å; F81-W194 HydrophobicContact CB-CZ3 4.18Å; F81-W194 HydrophobicContact CD1-CH2 4.32Å |
| 82 | H | 96.7 | Very high | 96 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 135 | -179.7 | -65 | -65 | 0 | 0 | 0 | 111.2 | L40 M130 T131 R188 P192 C193 D195 E196 | L40-H82 VanDerWaalsContact CD1-CD2 3.44Å; L40-H82 WeakPolarHBondContact CD1-CD2 3.36Å; L40-H82 WeakPolarHBondContact CD1-NE2 3.27Å; L40-H82 WeakPolarHBondContact CG-NE2 3.07Å; H82-M130 WeakPolarHBondContact CA-O 3.47Å; H82-T131 WeakPolarHBondContact ND1-CG2 3.44Å; H82-R188 HydrophobicContact CB-CB 3.64Å; H82-R188 HydrophobicContact CB-CG 4.49Å; H82-R188 PolarHBondContact ND1-NH1 3.13Å; H82-P192 WeakPolarHBondContact O-CA 3.42Å; H82-C193 WeakPolarHBondContact CA-O 3.34Å; H82-C193 VanDerWaalsContact CB-O 3.29Å; H82-C193 WeakPolarHBondContact CB-O 3.35Å; H82-C193 PolarHBondContact N-O 2.74Å; H82-C193 PolarHBondContact O-N 2.94Å; H82-D195 HydrophobicContact CB-CB 3.82Å; H82-D195 PolarHBondContact CD2-N 3.28Å; H82-E196 IonicContact CE1-OE1 2.69Å; H82-E196 WeakPolarHBondContact NE2-CG 3.21Å; H82-E196 IonicContact NE2-OE1 3.92Å; H82-E196 PolarHBondContact NE2-OE1 2.79Å |
| 83 | A | 96.3 | Very high | 96 | Very high | 4 Ų | 4 | 42 Ų | 42 | 3% | 0.033 | 22% | 0.22 | C | C | . | . | trans | -158.3 | 128.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y125 M130 A132 R188 P192 | A83-Y125 HydrophobicContact CB-CE1 4.49Å; A83-M130 CarbonylContact C-O 3.42Å; A83-M130 PolarHBondContact N-O 2.89Å; A83-M130 CarbonylContact O-C 3.23Å; A83-M130 VanDerWaalsContact O-C 3.25Å; A83-A132 HydrophobicContact CB-CB 3.94Å; A83-R188 CarbonylContact C-O 3.46Å; A83-R188 WeakPolarHBondContact CA-O 3.28Å; A83-P192 HydrophobicContact CB-CB 4.44Å | ||
| 84 | A | 93.2 | Very high | 96 | Very high | 11 Ų | 11 | 39.7 Ų | 39.7 | 9% | 0.091 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -142.6 | 133.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | I86 M130 R188 R189 | A84-I86 PolarHBondContact O-N 3.32Å; A84-M130 HydrophobicContact CB-CB 3.96Å; A84-M130 HydrophobicContact CB-CG 4.03Å; A84-M130 HydrophobicContact CB-SD 4.1Å; A84-R188 HydrophobicContact CB-CG 4.17Å; A84-R188 PolarHBondContact N-O 2.89Å; A84-R189 HydrophobicContact CB-CG 3.89Å; A84-R189 VanDerWaalsContact O-CA 3.27Å; A84-R189 WeakPolarHBondContact O-CA 3.09Å |
| 85 | E | 92.5 | Very high | 95.7 | Very high | 80 Ų | 80 | 34 Ų | 34 | 37% | 0.374 | 19% | 0.185 | S | C | . | . | S | Bend | trans | 55.8 | 29.6 | -176.6 | -59.4 | 173.4 | -171.4 | 0 | 0 | 112.6 | R160 R189 | E85-R160 IonicContact OE1-NH2 3.88Å; E85-R189 IonicContact OE1-CZ 3.29Å; E85-R189 IonicContact OE1-NH1 2.72Å; E85-R189 PolarHBondContact OE1-NH1 3.46Å; E85-R189 IonicContact OE2-NH1 2.8Å; E85-R189 PolarHBondContact OE2-NH1 2.98Å |
| 86 | I | 96.4 | Very high | 95 | Very high | 11 Ų | 11 | 30.2 Ų | 30.2 | 6% | 0.056 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 132.8 | 176.5 | -63.7 | -64 | 0 | 0 | 0 | 108.7 | F62 A84 I88 Y125 F151 T152 P192 | F62-I86 HydrophobicContact CE2-CD1 3.96Å; F62-I86 HydrophobicContact CZ-CD1 3.6Å; A84-I86 PolarHBondContact O-N 3.32Å; I86-I88 HydrophobicContact CG2-CG1 4.21Å; I86-Y125 PolarHBondContact O-OH 3.46Å; I86-F151 HydrophobicContact CD1-CD2 4.38Å; I86-F151 HydrophobicContact CG2-CB 3.68Å; I86-F151 HydrophobicContact CG2-CD2 3.85Å; I86-F151 HydrophobicContact CG2-CG 3.97Å; I86-T152 WeakPolarHBondContact CA-O 2.95Å; I86-P192 HydrophobicContact CG2-CG 4.11Å |
| 87 | D | 97.7 | Very high | 93.5 | Very high | 91 Ų | 91 | 35.8 Ų | 35.8 | 49% | 0.487 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 113.1 | 173.6 | -180 | 29.4 | 0 | 0 | 0 | 110.4 | V89 F151 T152 | D87-V89 PolarHBondContact O-N 3.38Å; D87-F151 CarbonylContact O-C 3.55Å; D87-F151 WeakPolarHBondContact O-CA 3.3Å; D87-F151 VanDerWaalsContact O-CB 3.28Å; D87-F151 WeakPolarHBondContact O-CB 3.42Å; D87-T152 PolarHBondContact N-O 2.95Å; D87-T152 PolarHBondContact O-N 3Å |
| 88 | I | 98.4 | Very high | 91.4 | Very high | 12 Ų | 12 | 35.1 Ų | 35.1 | 6% | 0.062 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 99.4 | -177.6 | -60.7 | 174.6 | 0 | 0 | 0 | 107.9 | F81 I86 A91 V123 Y125 A132 L149 K150 F151 P192 | F81-I88 HydrophobicContact CE2-CD1 3.8Å; F81-I88 HydrophobicContact CZ-CD1 4.18Å; I86-I88 HydrophobicContact CG2-CG1 4.21Å; I88-A91 HydrophobicContact CG2-CB 4.25Å; I88-V123 HydrophobicContact CB-CG1 4.5Å; I88-V123 HydrophobicContact CB-CG2 4.09Å; I88-V123 HydrophobicContact CD1-CG1 4.1Å; I88-V123 HydrophobicContact CG2-CG2 3.87Å; I88-Y125 WeakPolarHBondContact CB-OH 3.24Å; I88-Y125 WeakPolarHBondContact CG1-OH 3.41Å; I88-Y125 PolarHBondContact N-OH 3.06Å; I88-A132 HydrophobicContact CD1-CB 4.3Å; I88-L149 HydrophobicContact CG2-CD2 3.81Å; I88-K150 CarbonylContact C-O 3.38Å; I88-F151 HydrophobicContact CG1-CB 4.25Å; I88-P192 HydrophobicContact CD1-CB 4.14Å; I88-P192 HydrophobicContact CD1-CG 3.7Å; I88-P192 HydrophobicContact CG1-CG 3.89Å |
| 89 | V | 97.3 | Very high | 89.2 | Confident | 87 Ų | 87 | 44.3 Ų | 44.3 | 53% | 0.527 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | -30.5 | -177.3 | -174.6 | 0 | 0 | 0 | 0 | 112.1 | D87 K150 T152 | D87-V89 PolarHBondContact O-N 3.38Å; V89-K150 PolarHBondContact N-O 3.44Å; V89-T152 HydrophobicContact CG2-CG2 4.29Å |
| 90 | K | 97.9 | Very high | 86.9 | Confident | 103 Ų | 103 | 51.7 Ų | 51.7 | 45% | 0.448 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 133.2 | 177.8 | -171.2 | 174.2 | 179.6 | 173.5 | 0 | 110.9 | N120 L149 K150 | K90-N120 VanDerWaalsContact CE-OD1 3.31Å; K90-N120 WeakPolarHBondContact CE-OD1 3.38Å; K90-L149 CarbonylContact O-C 3.06Å; K90-L149 WeakPolarHBondContact O-CA 3.45Å; K90-K150 HydrophobicContact CB-CB 4.07Å; K90-K150 PolarHBondContact N-O 3.2Å; K90-K150 VanDerWaalsContact N-O 3.1Å; K90-K150 PolarHBondContact O-N 3.46Å |
| 91 | A | 98.1 | Very high | 84.6 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.008 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 143 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111 | I88 N120 L121 V123 L134 S148 L149 | I88-A91 HydrophobicContact CG2-CB 4.25Å; A91-N120 WeakPolarHBondContact O-CA 3.27Å; A91-N120 PolarHBondContact O-N 3.26Å; A91-L121 HydrophobicContact CB-CB 4.2Å; A91-L121 PolarHBondContact O-N 3.17Å; A91-V123 HydrophobicContact CB-CG2 4.27Å; A91-L134 HydrophobicContact CB-CD1 4.1Å; A91-L134 HydrophobicContact CB-CD2 3.78Å; A91-S148 WeakPolarHBondContact CA-O 3.44Å; A91-L149 HydrophobicContact CB-CD2 3.53Å |
| 92 | G | 97.1 | Very high | 82.3 | Confident | 7 Ų | 7 | 58.5 Ų | 58.5 | 7% | 0.072 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 150.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F118 L147 S148 | G92-F118 CarbonylContact C-O 3.58Å; G92-F118 WeakPolarHBondContact CA-O 3.2Å; G92-L147 WeakPolarHBondContact O-CD1 3.33Å; G92-S148 PolarHBondContact N-O 2.85Å; G92-S148 PolarHBondContact O-N 3.08Å |
| 93 | I | 96.4 | Very high | 79.9 | Confident | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 144.5 | 179.7 | -171.4 | 162.7 | 0 | 0 | 0 | 111.1 | L79 R117 F118 L121 L136 I140 A145 Q146 L147 | L79-I93 HydrophobicContact CD1-CD1 3.22Å; I93-R117 WeakPolarHBondContact O-CA 3.38Å; I93-F118 HydrophobicContact CG2-CB 4.2Å; I93-F118 HydrophobicContact CG2-CD2 3.79Å; I93-F118 HydrophobicContact CG2-CG 4.49Å; I93-F118 PolarHBondContact N-O 2.94Å; I93-F118 PolarHBondContact O-N 2.91Å; I93-L121 HydrophobicContact CB-CD1 4.42Å; I93-L121 HydrophobicContact CG2-CD1 3.87Å; I93-L136 HydrophobicContact CG2-CD2 3.81Å; I93-I140 HydrophobicContact CD1-CD1 3.93Å; I93-A145 HydrophobicContact CD1-CB 4.01Å; I93-A145 HydrophobicContact CG1-CB 4.24Å; I93-Q146 WeakPolarHBondContact CA-O 3.4Å; I93-L147 HydrophobicContact CB-CD1 4.5Å |
| 94 | T | 93.7 | Very high | 77.5 | Confident | 27 Ų | 27 | 66.7 Ų | 66.7 | 17% | 0.166 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 134.8 | 169.1 | -47.4 | 0 | 0 | 0 | 0 | 109.3 | F101 I115 L116 R117 A145 Q146 | T94-F101 HydrophobicContact CG2-CE1 3.51Å; T94-F101 HydrophobicContact CG2-CZ 3.87Å; T94-I115 HydrophobicContact CG2-CG2 3.61Å; T94-L116 CarbonylContact C-O 3.56Å; T94-L116 VanDerWaalsContact CA-O 3.27Å; T94-L116 WeakPolarHBondContact CA-O 3.26Å; T94-R117 HydrophobicContact CG2-CB 4.24Å; T94-A145 CarbonylContact O-C 3.3Å; T94-A145 WeakPolarHBondContact O-CA 3.27Å; T94-Q146 PolarHBondContact N-O 3.36Å; T94-Q146 PolarHBondContact O-N 3.14Å |
| 95 | S | 89.8 | Confident | 75.3 | Confident | 7 Ų | 7 | 77.3 Ų | 77.3 | 5% | 0.049 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 144.6 | -177.7 | 174.6 | 0 | 0 | 0 | 0 | 112 | I115 L116 P144 | S95-I115 CarbonylContact O-C 3.53Å; S95-I115 WeakPolarHBondContact O-CA 3.15Å; S95-L116 PolarHBondContact N-O 3.11Å; S95-L116 PolarHBondContact O-N 2.85Å; S95-P144 PolarHBondContact OG-O 2.89Å |
| 96 | G | 78.8 | Confident | 73.2 | Confident | 4 Ų | 4 | 76.1 Ų | 76.1 | 4% | 0.041 | 36% | 0.364 | C | S | . | . | trans | 169.8 | 163.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | D98 F101 P144 | G96-D98 PolarHBondContact O-N 2.89Å; G96-F101 VanDerWaalsContact C-CE2 3.49Å; G96-F101 VanDerWaalsContact N-CE2 3.25Å; G96-F101 VanDerWaalsContact O-CE2 3.27Å; G96-F101 WeakPolarHBondContact O-CE2 3.16Å; G96-P144 PolarHBondContact N-O 2.91Å; G96-P144 WeakPolarHBondContact O-CG 3.39Å | ||
| 97 | N | 63.6 | Low | 71.1 | Confident | 124 Ų | 124 | 79.7 Ų | 79.7 | 66% | 0.663 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -78.2 | -8.4 | -159.2 | -72.5 | -7.9 | 0 | 0 | 0 | 116.5 | ||
| 98 | D | 51.7 | Low | 68.7 | Low | 71 Ų | 71 | 84.4 Ų | 84.4 | 38% | 0.38 | 41% | 0.411 | S | S | . | . | trans | -98.4 | 116.2 | -171.3 | -136.9 | -22.1 | 0 | 0 | 0 | 111.2 | G96 K100 F101 | G96-D98 PolarHBondContact O-N 2.89Å; D98-K100 PolarHBondContact O-N 2.88Å; D98-F101 VanDerWaalsContact O-CD2 3.3Å; D98-F101 WeakPolarHBondContact O-CD2 3.49Å; D98-F101 PolarHBondContact O-N 3.18Å | ||
| 99 | R | 47.9 | Very low | 66.2 | Low | 227 Ų | 227 | 85.7 Ų | 85.7 | 86% | 0.857 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -8.2 | 178.2 | -74.3 | -174.2 | 177.8 | -171.7 | -0.9 | 113.8 | F101 | R99-F101 PolarHBondContact O-N 2.84Š|
| 100 | K | 47.2 | Very low | 63.9 | Low | 157 Ų | 157 | 84 Ų | 84 | 68% | 0.683 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | 12.5 | 170.2 | -67.2 | -176 | 179.1 | 177.3 | 0 | 114.4 | D98 Y102 T103 | D98-K100 PolarHBondContact O-N 2.88Å; K100-Y102 PolarHBondContact O-N 2.81Å; K100-T103 PolarHBondContact O-N 2.77Å |
| 101 | F | 48.8 | Very low | 61.6 | Low | 45 Ų | 45 | 83.6 Ų | 83.6 | 20% | 0.197 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -43.6 | -29.4 | 176.1 | -125.6 | -103.5 | 0 | 0 | 0 | 115.9 | T94 G96 D98 R99 T103 I115 | T94-F101 HydrophobicContact CG2-CE1 3.51Å; T94-F101 HydrophobicContact CG2-CZ 3.87Å; G96-F101 VanDerWaalsContact C-CE2 3.49Å; G96-F101 VanDerWaalsContact N-CE2 3.25Å; G96-F101 VanDerWaalsContact O-CE2 3.27Å; G96-F101 WeakPolarHBondContact O-CE2 3.16Å; D98-F101 VanDerWaalsContact O-CD2 3.3Å; D98-F101 WeakPolarHBondContact O-CD2 3.49Å; D98-F101 PolarHBondContact O-N 3.18Å; R99-F101 PolarHBondContact O-N 2.84Å; F101-T103 PolarHBondContact O-N 2.78Å; F101-I115 HydrophobicContact CE1-CG2 4.48Å; F101-I115 HydrophobicContact CE2-CD1 4.27Å; F101-I115 HydrophobicContact CE2-CG1 3.91Å; F101-I115 HydrophobicContact CE2-CG2 4.25Å; F101-I115 HydrophobicContact CZ-CG1 4.23Å; F101-I115 HydrophobicContact CZ-CG2 3.69Å |
| 102 | Y | 49.5 | Very low | 59.2 | Low | 157 Ų | 157 | 93.2 Ų | 93.2 | 62% | 0.616 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -79.4 | -5.4 | -172.1 | -59.7 | -77.9 | 0 | 0 | 0 | 115.5 | K100 | K100-Y102 PolarHBondContact O-N 2.81Š|
| 103 | T | 45.2 | Very low | 57.2 | Low | 109 Ų | 109 | 97.4 Ų | 97.4 | 67% | 0.669 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -125.1 | 2.9 | -167.9 | -17.8 | 0 | 0 | 0 | 0 | 116.9 | K100 F101 | K100-T103 PolarHBondContact O-N 2.77Å; F101-T103 PolarHBondContact O-N 2.78Å |
| 104 | L | 46.4 | Very low | 55.7 | Low | 68 Ų | 68 | 100 Ų | 100 | 36% | 0.356 | 50% | 0.504 | S | S | . | . | trans | -103.5 | 107.5 | -174.4 | -105.9 | 77.1 | 0 | 0 | 0 | 114 | C109 F113 | L104-C109 HydrophobicContact CD2-CB 3.32Å; L104-C109 HydrophobicContact CG-CB 4.43Å; L104-F113 HydrophobicContact CD2-CD2 4.12Å; L104-F113 HydrophobicContact CD2-CE2 4.25Å | ||
| 105 | Y | 47 | Very low | 54.9 | Low | 233 Ų | 233 | 100 Ų | 100 | 91% | 0.914 | 50% | 0.502 | S | S | * | . | trans | -100 | 25.1 | 172.6 | -75.4 | -84.5 | 0 | 0 | 0 | 113.8 | ||||
| 106 | C | 49 | Very low | 54.6 | Low | 56 Ų | 56 | 102.1 Ų | 102.1 | 38% | 0.378 | 51% | 0.513 | S | S | . | . | trans | -115.4 | 116.4 | -177.7 | -178 | 0 | 0 | 0 | 0 | 112.6 | F108 C109 F110 | C106-F108 VanDerWaalsContact C-N 3.25Å; C106-F108 PolarHBondContact O-N 2.87Å; C106-C109 HydrophobicContact CB-CB 4.3Å; C106-C109 PolarHBondContact O-N 3.5Å; C106-C109 VanDerWaalsContact O-N 3.07Å; C106-F110 WeakPolarHBondContact O-CD2 3.34Å; C106-F110 WeakPolarHBondContact O-CE2 3.43Å | ||
| 107 | A | 51.6 | Low | 55.2 | Low | 85 Ų | 85 | 108.4 Ų | 108.4 | 70% | 0.702 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -55.4 | -35.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | C109 F110 | A107-C109 VanDerWaalsContact C-N 3.33Å; A107-C109 PolarHBondContact O-N 3.43Å; A107-F110 PolarHBondContact O-N 3.09Å |
| 108 | F | 46.9 | Very low | 56.6 | Low | 190 Ų | 190 | 104 Ų | 104 | 83% | 0.833 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -70.3 | -24.7 | 178.6 | -86.3 | -86.1 | 0 | 0 | 0 | 113.7 | C106 | C106-F108 VanDerWaalsContact C-N 3.25Å; C106-F108 PolarHBondContact O-N 2.87Å |
| 109 | C | 47.1 | Very low | 58.6 | Low | 39 Ų | 39 | 104.2 Ų | 104.2 | 26% | 0.264 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -78.4 | -24.7 | 178.9 | -64.6 | 0 | 0 | 0 | 0 | 112.9 | L104 C106 A107 A111 Y112 F113 | L104-C109 HydrophobicContact CD2-CB 3.32Å; L104-C109 HydrophobicContact CG-CB 4.43Å; C106-C109 HydrophobicContact CB-CB 4.3Å; C106-C109 PolarHBondContact O-N 3.5Å; C106-C109 VanDerWaalsContact O-N 3.07Å; A107-C109 VanDerWaalsContact C-N 3.33Å; A107-C109 PolarHBondContact O-N 3.43Å; C109-A111 VanDerWaalsContact C-N 3.31Å; C109-A111 PolarHBondContact O-N 2.91Å; C109-Y112 PolarHBondContact O-N 2.97Å; C109-Y112 VanDerWaalsContact O-N 3.09Å; C109-F113 HydrophobicContact CB-CD2 4.16Å; C109-F113 HydrophobicContact CB-CE2 4.31Å; C109-F113 VanDerWaalsContact O-CD2 3.29Å; C109-F113 WeakPolarHBondContact O-CD2 3.4Å; C109-F113 PolarHBondContact O-N 2.8Å; C109-F113 VanDerWaalsContact O-N 3.16Å |
| 110 | F | 48.4 | Very low | 60.7 | Low | 52 Ų | 52 | 99 Ų | 99 | 23% | 0.228 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -59.6 | -38.8 | -177.6 | -75.1 | -92.9 | 0 | 0 | 0 | 113.1 | C106 A107 Y112 G114 I115 | C106-F110 WeakPolarHBondContact O-CD2 3.34Å; C106-F110 WeakPolarHBondContact O-CE2 3.43Å; A107-F110 PolarHBondContact O-N 3.09Å; F110-Y112 VanDerWaalsContact C-N 3.34Å; F110-G114 PolarHBondContact O-N 3.34Å; F110-I115 HydrophobicContact CD1-CB 3.59Å; F110-I115 HydrophobicContact CD1-CD1 3.99Å; F110-I115 HydrophobicContact CD1-CG1 4.39Å; F110-I115 HydrophobicContact CD1-CG2 3.4Å; F110-I115 HydrophobicContact CE1-CB 4.24Å; F110-I115 HydrophobicContact CE1-CD1 4.16Å; F110-I115 HydrophobicContact CE1-CG2 3.64Å; F110-I115 HydrophobicContact CG-CB 4.46Å; F110-I115 PolarHBondContact O-N 3.44Å |
| 111 | A | 49.2 | Very low | 63.1 | Low | 95 Ų | 95 | 92 Ų | 92 | 79% | 0.785 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -71.1 | -28.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | C109 | C109-A111 VanDerWaalsContact C-N 3.31Å; C109-A111 PolarHBondContact O-N 2.91Å |
| 112 | Y | 48.1 | Very low | 65.3 | Low | 203 Ų | 203 | 94 Ų | 94 | 80% | 0.796 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -81.7 | -28.3 | -178.8 | -153 | -94.4 | 0 | 0 | 0 | 112.5 | C109 F110 | C109-Y112 PolarHBondContact O-N 2.97Å; C109-Y112 VanDerWaalsContact O-N 3.09Å; F110-Y112 VanDerWaalsContact C-N 3.34Å |
| 113 | F | 54.2 | Low | 67.6 | Low | 95 Ų | 95 | 88.1 Ų | 88.1 | 42% | 0.417 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 6 | -177.6 | -68.6 | -76.4 | 0 | 0 | 0 | 114.7 | L104 C109 I115 | L104-F113 HydrophobicContact CD2-CD2 4.12Å; L104-F113 HydrophobicContact CD2-CE2 4.25Å; C109-F113 HydrophobicContact CB-CD2 4.16Å; C109-F113 HydrophobicContact CB-CE2 4.31Å; C109-F113 VanDerWaalsContact O-CD2 3.29Å; C109-F113 WeakPolarHBondContact O-CD2 3.4Å; C109-F113 PolarHBondContact O-N 2.8Å; C109-F113 VanDerWaalsContact O-N 3.16Å; F113-I115 VanDerWaalsContact C-N 3.32Å; F113-I115 HydrophobicContact CB-CD1 4.3Å; F113-I115 HydrophobicContact CB-CG1 4.25Å; F113-I115 PolarHBondContact O-N 2.8Å |
| 114 | G | 65.8 | Low | 70 | Confident | 57 Ų | 57 | 87.5 Ų | 87.5 | 59% | 0.588 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | 30.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | F110 | F110-G114 PolarHBondContact O-N 3.34Š|
| 115 | I | 75.9 | Confident | 72.4 | Confident | 25 Ų | 25 | 89.2 Ų | 89.2 | 13% | 0.128 | 46% | 0.46 | C | S | . | . | trans | -81.6 | 124.2 | -180 | -61.2 | 171.3 | 0 | 0 | 0 | 109.7 | T94 S95 F101 F110 F113 | T94-I115 HydrophobicContact CG2-CG2 3.61Å; S95-I115 CarbonylContact O-C 3.53Å; S95-I115 WeakPolarHBondContact O-CA 3.15Å; F101-I115 HydrophobicContact CE1-CG2 4.48Å; F101-I115 HydrophobicContact CE2-CD1 4.27Å; F101-I115 HydrophobicContact CE2-CG1 3.91Å; F101-I115 HydrophobicContact CE2-CG2 4.25Å; F101-I115 HydrophobicContact CZ-CG1 4.23Å; F101-I115 HydrophobicContact CZ-CG2 3.69Å; F110-I115 HydrophobicContact CD1-CB 3.59Å; F110-I115 HydrophobicContact CD1-CD1 3.99Å; F110-I115 HydrophobicContact CD1-CG1 4.39Å; F110-I115 HydrophobicContact CD1-CG2 3.4Å; F110-I115 HydrophobicContact CE1-CB 4.24Å; F110-I115 HydrophobicContact CE1-CD1 4.16Å; F110-I115 HydrophobicContact CE1-CG2 3.64Å; F110-I115 HydrophobicContact CG-CB 4.46Å; F110-I115 PolarHBondContact O-N 3.44Å; F113-I115 VanDerWaalsContact C-N 3.32Å; F113-I115 HydrophobicContact CB-CD1 4.3Å; F113-I115 HydrophobicContact CB-CG1 4.25Å; F113-I115 PolarHBondContact O-N 2.8Å | ||
| 116 | L | 84.6 | Confident | 74.5 | Confident | 53 Ų | 53 | 81.3 Ų | 81.3 | 28% | 0.277 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 133.7 | 171.5 | -66.7 | 174 | 0 | 0 | 0 | 109.9 | T94 S95 F118 I140 | T94-L116 CarbonylContact C-O 3.56Å; T94-L116 VanDerWaalsContact CA-O 3.27Å; T94-L116 WeakPolarHBondContact CA-O 3.26Å; S95-L116 PolarHBondContact N-O 3.11Å; S95-L116 PolarHBondContact O-N 2.85Å; L116-F118 HydrophobicContact CB-CE2 4.49Å; L116-F118 HydrophobicContact CB-CZ 4.5Å; L116-I140 HydrophobicContact CD1-CG2 4.09Å |
| 117 | R | 90.6 | Very high | 76.3 | Confident | 136 Ų | 136 | 84 Ų | 84 | 51% | 0.513 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 128.8 | 174.5 | -178.6 | 175.1 | 168.1 | 160 | 6.4 | 109.8 | I93 T94 D119 | I93-R117 WeakPolarHBondContact O-CA 3.38Å; T94-R117 HydrophobicContact CG2-CB 4.24Å; R117-D119 IonicContact CZ-OD1 2.75Å; R117-D119 IonicContact CZ-OD2 3.91Å; R117-D119 IonicContact NE-OD1 3.26Å; R117-D119 PolarHBondContact NE-OD1 2.85Å; R117-D119 IonicContact NE-OD2 3.33Å; R117-D119 PolarHBondContact NE-OD2 2.97Å; R117-D119 IonicContact NH2-OD1 3.77Å; R117-D119 PolarHBondContact NH2-OD1 2.73Å; R117-D119 IonicContact NH2-OD2 2.9Å; R117-D119 PolarHBondContact NH2-OD2 3.07Å |
| 118 | F | 93.4 | Very high | 77.7 | Confident | 32 Ų | 32 | 85.5 Ų | 85.5 | 14% | 0.14 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 124.2 | 172.5 | -51.5 | -61.4 | 0 | 0 | 0 | 108.7 | G92 I93 L116 L121 L136 P137 K138 I140 | G92-F118 CarbonylContact C-O 3.58Å; G92-F118 WeakPolarHBondContact CA-O 3.2Å; I93-F118 HydrophobicContact CG2-CB 4.2Å; I93-F118 HydrophobicContact CG2-CD2 3.79Å; I93-F118 HydrophobicContact CG2-CG 4.49Å; I93-F118 PolarHBondContact N-O 2.94Å; I93-F118 PolarHBondContact O-N 2.91Å; L116-F118 HydrophobicContact CB-CE2 4.49Å; L116-F118 HydrophobicContact CB-CZ 4.5Å; F118-L121 HydrophobicContact CB-CD1 4.28Å; F118-L121 HydrophobicContact CB-CD2 3.7Å; F118-L121 HydrophobicContact CB-CG 4.09Å; F118-L121 HydrophobicContact CG-CD2 4.48Å; F118-L136 HydrophobicContact CD2-CB 4.39Å; F118-L136 HydrophobicContact CD2-CD2 4.47Å; F118-L136 HydrophobicContact CE2-CB 4.31Å; F118-P137 HydrophobicContact CD1-CB 4.22Å; F118-P137 HydrophobicContact CD1-CG 3.67Å; F118-P137 HydrophobicContact CE1-CB 3.94Å; F118-P137 HydrophobicContact CE1-CG 3.91Å; F118-P137 HydrophobicContact CG-CG 4.15Å; F118-P137 HydrophobicContact CZ-CB 4.45Å; F118-K138 HydrophobicContact CZ-CB 4.09Å; F118-I140 HydrophobicContact CE2-CG2 4.05Å |
| 119 | D | 93.2 | Very high | 79.4 | Confident | 75 Ų | 75 | 78.1 Ų | 78.1 | 40% | 0.401 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 157.7 | 175.4 | -66.2 | -73.3 | 0 | 0 | 0 | 109.8 | R117 L121 | R117-D119 IonicContact CZ-OD1 2.75Å; R117-D119 IonicContact CZ-OD2 3.91Å; R117-D119 IonicContact NE-OD1 3.26Å; R117-D119 PolarHBondContact NE-OD1 2.85Å; R117-D119 IonicContact NE-OD2 3.33Å; R117-D119 PolarHBondContact NE-OD2 2.97Å; R117-D119 IonicContact NH2-OD1 3.77Å; R117-D119 PolarHBondContact NH2-OD1 2.73Å; R117-D119 IonicContact NH2-OD2 2.9Å; R117-D119 PolarHBondContact NH2-OD2 3.07Å; D119-L121 VanDerWaalsContact C-N 3.3Å; D119-L121 PolarHBondContact O-N 3.45Å |
| 120 | N | 93.5 | Very high | 81.6 | Confident | 116 Ų | 116 | 78.8 Ų | 78.8 | 62% | 0.62 | 41% | 0.412 | S | S | * | . | S | Bend | trans | 54.3 | 43.3 | 178.2 | -52.8 | -38.7 | 0 | 0 | 0 | 113.3 | K90 A91 | K90-N120 VanDerWaalsContact CE-OD1 3.31Å; K90-N120 WeakPolarHBondContact CE-OD1 3.38Å; A91-N120 WeakPolarHBondContact O-CA 3.27Å; A91-N120 PolarHBondContact O-N 3.26Å |
| 121 | L | 96.2 | Very high | 83.7 | Confident | 12 Ų | 12 | 76.6 Ų | 76.6 | 6% | 0.063 | 40% | 0.403 | C | S | . | . | trans | -63.5 | 137 | 176.8 | -70 | 170.9 | 0 | 0 | 0 | 110.7 | A91 I93 F118 D119 L134 L136 | A91-L121 HydrophobicContact CB-CB 4.2Å; A91-L121 PolarHBondContact O-N 3.17Å; I93-L121 HydrophobicContact CB-CD1 4.42Å; I93-L121 HydrophobicContact CG2-CD1 3.87Å; F118-L121 HydrophobicContact CB-CD1 4.28Å; F118-L121 HydrophobicContact CB-CD2 3.7Å; F118-L121 HydrophobicContact CB-CG 4.09Å; F118-L121 HydrophobicContact CG-CD2 4.48Å; D119-L121 VanDerWaalsContact C-N 3.3Å; D119-L121 PolarHBondContact O-N 3.45Å; L121-L134 HydrophobicContact CB-CD2 4.36Å; L121-L134 HydrophobicContact CD1-CB 4.48Å; L121-L134 HydrophobicContact CD1-CD1 4.27Å; L121-L136 HydrophobicContact CD1-CD2 3.63Å; L121-L136 HydrophobicContact CD2-CD2 4.22Å | ||
| 122 | P | 95.3 | Very high | 86 | Confident | 85 Ų | 85 | 72.1 Ų | 72.1 | 55% | 0.552 | 37% | 0.366 | S | S | * | . | trans | -67.4 | 145.7 | 173.3 | 29.7 | -34.1 | 0 | 0 | 0 | 110.6 | L134 | P122-L134 WeakPolarHBondContact O-CD2 3.37Š| ||
| 123 | V | 97.4 | Very high | 88.3 | Confident | 35 Ų | 35 | 65.1 Ų | 65.1 | 21% | 0.212 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 122.7 | -179.7 | -171.6 | 0 | 0 | 0 | 0 | 108.9 | I88 A91 Y125 A132 L134 | I88-V123 HydrophobicContact CB-CG1 4.5Å; I88-V123 HydrophobicContact CB-CG2 4.09Å; I88-V123 HydrophobicContact CD1-CG1 4.1Å; I88-V123 HydrophobicContact CG2-CG2 3.87Å; A91-V123 HydrophobicContact CB-CG2 4.27Å; V123-Y125 HydrophobicContact CB-CE2 4.21Å; V123-Y125 HydrophobicContact CG1-CD2 4.24Å; V123-Y125 HydrophobicContact CG1-CE1 4.17Å; V123-Y125 HydrophobicContact CG1-CE2 3.72Å; V123-A132 HydrophobicContact CG1-CB 3.94Å; V123-L134 HydrophobicContact CB-CD2 4.29Å; V123-L134 HydrophobicContact CG1-CD2 4.42Å; V123-L134 HydrophobicContact CG2-CD2 3.71Å |
| 124 | E | 97.1 | Very high | 90.4 | Very high | 96 Ų | 96 | 60.6 Ų | 60.6 | 45% | 0.449 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 125.2 | 172.1 | -70.5 | 179.2 | -164.4 | 0 | 0 | 109.5 | A132 E133 K135 | E124-A132 CarbonylContact O-C 3.48Å; E124-A132 WeakPolarHBondContact O-CA 3.39Å; E124-E133 PolarHBondContact N-O 2.52Å; E124-E133 PolarHBondContact O-N 3.28Å; E124-K135 IonicContact OE1-NZ 3.12Å; E124-K135 PolarHBondContact OE1-NZ 3.13Å; E124-K135 WeakPolarHBondContact OE2-CE 3.43Å; E124-K135 IonicContact OE2-NZ 3.43Å; E124-K135 PolarHBondContact OE2-NZ 2.97Å |
| 125 | Y | 95.4 | Very high | 91.8 | Very high | 104 Ų | 104 | 62.5 Ų | 62.5 | 41% | 0.408 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 139.8 | -179.7 | -66.7 | -86.5 | 0 | 0 | 0 | 111.6 | A83 I86 I88 V123 A132 | A83-Y125 HydrophobicContact CB-CE1 4.49Å; I86-Y125 PolarHBondContact O-OH 3.46Å; I88-Y125 WeakPolarHBondContact CB-OH 3.24Å; I88-Y125 WeakPolarHBondContact CG1-OH 3.41Å; I88-Y125 PolarHBondContact N-OH 3.06Å; V123-Y125 HydrophobicContact CB-CE2 4.21Å; V123-Y125 HydrophobicContact CG1-CD2 4.24Å; V123-Y125 HydrophobicContact CG1-CE1 4.17Å; V123-Y125 HydrophobicContact CG1-CE2 3.72Å; Y125-A132 HydrophobicContact CD1-CB 4.03Å; Y125-A132 HydrophobicContact CE1-CB 4.09Å |
| 126 | N | 92.1 | Very high | 92.7 | Very high | 66 Ų | 66 | 61.9 Ų | 61.9 | 35% | 0.353 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 102.7 | 164.6 | -172.5 | -45.3 | 0 | 0 | 0 | 109 | H128 W129 M130 T131 | N126-H128 VanDerWaalsContact C-N 3.3Å; N126-H128 PolarHBondContact O-N 3.44Å; N126-H128 WeakPolarHBondContact OD1-CB 3.41Å; N126-H128 PolarHBondContact OD1-N 3.32Å; N126-H128 VanDerWaalsContact OD1-N 3.09Å; N126-W129 PolarHBondContact O-N 2.65Å; N126-W129 PolarHBondContact OD1-N 2.81Å; N126-M130 WeakPolarHBondContact O-CA 3.35Å; N126-M130 PolarHBondContact O-N 2.98Å; N126-T131 PolarHBondContact N-O 3.09Å; N126-T131 PolarHBondContact O-N 3.16Å; N126-T131 VanDerWaalsContact O-N 3.09Å |
| 127 | S | 85.9 | Confident | 93.1 | Very high | 114 Ų | 114 | 64.1 Ų | 64.1 | 80% | 0.797 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -27.2 | -178.2 | 59.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 128 | H | 80.8 | Confident | 93.1 | Very high | 115 Ų | 115 | 64.1 Ų | 64.1 | 53% | 0.532 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -48.1 | 177.7 | -177.5 | 57.5 | 0 | 0 | 0 | 110.5 | N126 | N126-H128 VanDerWaalsContact C-N 3.3Å; N126-H128 PolarHBondContact O-N 3.44Å; N126-H128 WeakPolarHBondContact OD1-CB 3.41Å; N126-H128 PolarHBondContact OD1-N 3.32Å; N126-H128 VanDerWaalsContact OD1-N 3.09Å |
| 129 | W | 84.3 | Confident | 93 | Very high | 35 Ų | 35 | 66.4 Ų | 66.4 | 13% | 0.133 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -2.5 | 179.5 | -62.5 | 128.2 | 0 | 0 | 0 | 114.7 | D35 F37 N126 T131 | D35-W129 HydrophobicContact CB-CZ2 4Å; D35-W129 VanDerWaalsContact O-CH2 3.28Å; D35-W129 WeakPolarHBondContact O-CH2 3.36Å; D35-W129 WeakPolarHBondContact O-CZ2 3.38Å; F37-W129 VanDerWaalsContact CA-CH2 3.41Å; F37-W129 HydrophobicContact CB-CE3 4.37Å; F37-W129 HydrophobicContact CB-CH2 3.68Å; F37-W129 HydrophobicContact CB-CZ3 3.55Å; F37-W129 HydrophobicContact CD2-CD2 4.35Å; F37-W129 AromaticContact CD2-CE3 3.51Å; F37-W129 HydrophobicContact CD2-CE3 3.51Å; F37-W129 HydrophobicContact CD2-CH2 4.36Å; F37-W129 AromaticContact CD2-CZ3 3.53Å; F37-W129 HydrophobicContact CD2-CZ3 3.53Å; F37-W129 HydrophobicContact CE2-CE3 4.33Å; F37-W129 HydrophobicContact CG-CE3 4.41Å; F37-W129 HydrophobicContact CG-CZ3 4.02Å; N126-W129 PolarHBondContact O-N 2.65Å; N126-W129 PolarHBondContact OD1-N 2.81Å; W129-T131 VanDerWaalsContact C-N 3.25Å; W129-T131 HydrophobicContact CB-CG2 4.37Å; W129-T131 PolarHBondContact O-N 2.86Å |
| 130 | M | 91.3 | Very high | 92.9 | Very high | 53 Ų | 53 | 62.9 Ų | 62.9 | 26% | 0.261 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 42.6 | -177.4 | -61.2 | -173.1 | -158.8 | 0 | 0 | 112.2 | H82 A83 A84 N126 R189 | H82-M130 WeakPolarHBondContact CA-O 3.47Å; A83-M130 CarbonylContact C-O 3.42Å; A83-M130 PolarHBondContact N-O 2.89Å; A83-M130 CarbonylContact O-C 3.23Å; A83-M130 VanDerWaalsContact O-C 3.25Å; A84-M130 HydrophobicContact CB-CB 3.96Å; A84-M130 HydrophobicContact CB-CG 4.03Å; A84-M130 HydrophobicContact CB-SD 4.1Å; N126-M130 WeakPolarHBondContact O-CA 3.35Å; N126-M130 PolarHBondContact O-N 2.98Å; M130-R189 PolarHBondContact SD-NH2 3.41Å; M130-R189 VanDerWaalsContact SD-NH2 3.43Å |
| 131 | T | 94.2 | Very high | 92.7 | Very high | 6 Ų | 6 | 62 Ų | 62 | 4% | 0.037 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 155.9 | -178.1 | 49.2 | 0 | 0 | 0 | 0 | 111.9 | L40 F81 H82 N126 W129 | L40-T131 HydrophobicContact CD2-CG2 4.17Å; F81-T131 CarbonylContact O-C 3.39Å; F81-T131 VanDerWaalsContact O-CA 3.24Å; F81-T131 WeakPolarHBondContact O-CA 3.44Å; F81-T131 WeakPolarHBondContact O-CB 3.43Å; H82-T131 WeakPolarHBondContact ND1-CG2 3.44Å; N126-T131 PolarHBondContact N-O 3.09Å; N126-T131 PolarHBondContact O-N 3.16Å; N126-T131 VanDerWaalsContact O-N 3.09Å; W129-T131 VanDerWaalsContact C-N 3.25Å; W129-T131 HydrophobicContact CB-CG2 4.37Å; W129-T131 PolarHBondContact O-N 2.86Å |
| 132 | A | 96.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.008 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 145.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | K80 F81 A83 I88 V123 E124 Y125 | K80-A132 WeakPolarHBondContact CA-O 3.19Å; F81-A132 HydrophobicContact CD2-CB 4.18Å; F81-A132 HydrophobicContact CE2-CB 3.67Å; F81-A132 HydrophobicContact CZ-CB 4.19Å; F81-A132 PolarHBondContact N-O 2.94Å; F81-A132 PolarHBondContact O-N 2.94Å; A83-A132 HydrophobicContact CB-CB 3.94Å; I88-A132 HydrophobicContact CD1-CB 4.3Å; V123-A132 HydrophobicContact CG1-CB 3.94Å; E124-A132 CarbonylContact O-C 3.48Å; E124-A132 WeakPolarHBondContact O-CA 3.39Å; Y125-A132 HydrophobicContact CD1-CB 4.03Å; Y125-A132 HydrophobicContact CE1-CB 4.09Å |
| 133 | E | 96.7 | Very high | 92.4 | Very high | 57 Ų | 57 | 60.6 Ų | 60.6 | 27% | 0.266 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 135.7 | -178 | -168.5 | 175.5 | 126.8 | 0 | 0 | 110.6 | V78 L79 E124 | V78-E133 HydrophobicContact CG2-CG 3.32Å; V78-E133 VanDerWaalsContact CG2-OE1 3.23Å; V78-E133 WeakPolarHBondContact CG2-OE1 3.37Å; L79-E133 CarbonylContact O-C 3.46Å; L79-E133 WeakPolarHBondContact O-CA 3.28Å; E124-E133 PolarHBondContact N-O 2.52Å; E124-E133 PolarHBondContact O-N 3.28Å |
| 134 | L | 97.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 119.7 | 172.5 | -56.3 | 178.8 | 0 | 0 | 0 | 109 | V78 L79 F81 A91 L121 P122 V123 L147 | V78-L134 WeakPolarHBondContact CA-O 3.11Å; L79-L134 HydrophobicContact CB-CB 4.45Å; L79-L134 PolarHBondContact N-O 2.92Å; L79-L134 PolarHBondContact O-N 2.93Å; F81-L134 HydrophobicContact CE1-CD1 3.74Å; F81-L134 HydrophobicContact CE1-CG 3.79Å; F81-L134 HydrophobicContact CZ-CD1 4.09Å; F81-L134 HydrophobicContact CZ-CD2 4.44Å; F81-L134 HydrophobicContact CZ-CG 4.03Å; A91-L134 HydrophobicContact CB-CD1 4.1Å; A91-L134 HydrophobicContact CB-CD2 3.78Å; L121-L134 HydrophobicContact CB-CD2 4.36Å; L121-L134 HydrophobicContact CD1-CB 4.48Å; L121-L134 HydrophobicContact CD1-CD1 4.27Å; P122-L134 WeakPolarHBondContact O-CD2 3.37Å; V123-L134 HydrophobicContact CB-CD2 4.29Å; V123-L134 HydrophobicContact CG1-CD2 4.42Å; V123-L134 HydrophobicContact CG2-CD2 3.71Å; L134-L147 HydrophobicContact CD1-CD1 3.56Å; L134-L147 HydrophobicContact CD1-CD2 4.42Å |
| 135 | K | 95.3 | Very high | 92.1 | Very high | 97 Ų | 97 | 56.4 Ų | 56.4 | 42% | 0.422 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 118 | 170.1 | -70.4 | 176.4 | -176.4 | 155.8 | 0 | 109.5 | E124 | E124-K135 IonicContact OE1-NZ 3.12Å; E124-K135 PolarHBondContact OE1-NZ 3.13Å; E124-K135 WeakPolarHBondContact OE2-CE 3.43Å; E124-K135 IonicContact OE2-NZ 3.43Å; E124-K135 PolarHBondContact OE2-NZ 2.97Å |
| 136 | L | 95.1 | Very high | 92.2 | Very high | 11 Ų | 11 | 53.3 Ų | 53.3 | 6% | 0.058 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 139.8 | 178 | -49.1 | -176.3 | 0 | 0 | 0 | 109.4 | N77 L79 I93 F118 L121 K138 I140 | N77-L136 HydrophobicContact CB-CB 4.45Å; N77-L136 WeakPolarHBondContact O-CA 3.48Å; N77-L136 WeakPolarHBondContact O-CB 3.46Å; N77-L136 PolarHBondContact O-N 2.84Å; L79-L136 HydrophobicContact CG-CD1 4.41Å; I93-L136 HydrophobicContact CG2-CD2 3.81Å; F118-L136 HydrophobicContact CD2-CB 4.39Å; F118-L136 HydrophobicContact CD2-CD2 4.47Å; F118-L136 HydrophobicContact CE2-CB 4.31Å; L121-L136 HydrophobicContact CD1-CD2 3.63Å; L121-L136 HydrophobicContact CD2-CD2 4.22Å; L136-K138 WeakPolarHBondContact CB-O 3.35Å; L136-K138 PolarHBondContact O-N 2.82Å; L136-K138 VanDerWaalsContact O-N 3.1Å; L136-I140 HydrophobicContact CD1-CD1 3.75Å; L136-I140 HydrophobicContact CD1-CG1 3.88Å; L136-I140 HydrophobicContact CD1-CG2 4Å |
| 137 | P | 93 | Very high | 92.5 | Very high | 101 Ų | 101 | 50.2 Ų | 50.2 | 66% | 0.656 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.7 | -20.1 | 177.7 | -26.1 | 35.1 | 0 | 0 | 0 | 114.7 | F118 | F118-P137 HydrophobicContact CD1-CB 4.22Å; F118-P137 HydrophobicContact CD1-CG 3.67Å; F118-P137 HydrophobicContact CE1-CB 3.94Å; F118-P137 HydrophobicContact CE1-CG 3.91Å; F118-P137 HydrophobicContact CG-CG 4.15Å; F118-P137 HydrophobicContact CZ-CB 4.45Å |
| 138 | K | 90.5 | Very high | 93.1 | Very high | 136 Ų | 136 | 46.7 Ų | 46.7 | 59% | 0.591 | 25% | 0.245 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 154.3 | 179.2 | -172 | 179.9 | 176.6 | -178 | 0 | 109.8 | F118 L136 I140 | F118-K138 HydrophobicContact CZ-CB 4.09Å; L136-K138 WeakPolarHBondContact CB-O 3.35Å; L136-K138 PolarHBondContact O-N 2.82Å; L136-K138 VanDerWaalsContact O-N 3.1Å; K138-I140 PolarHBondContact O-N 2.69Å |
| 139 | D | 90.7 | Very high | 93.9 | Very high | 80 Ų | 80 | 41.4 Ų | 41.4 | 43% | 0.428 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.2 | 130.1 | 169 | -65 | -23.6 | 0 | 0 | 0 | 111.2 | T76 N77 | T76-D139 CarbonylContact O-C 2.97Å; T76-D139 VanDerWaalsContact O-CA 3.28Å; T76-D139 WeakPolarHBondContact O-CA 3.44Å; N77-D139 WeakPolarHBondContact CB-OD1 3.34Å; N77-D139 PolarHBondContact N-OD1 2.96Å; N77-D139 VanDerWaalsContact N-OD1 3.15Å |
| 140 | I | 91.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 140.2 | 163.1 | 61.1 | 177.5 | 0 | 0 | 0 | 108.6 | I72 P75 T76 I93 L116 F118 L136 K138 | I72-I140 HydrophobicContact CD1-CD1 3.72Å; I72-I140 HydrophobicContact CG1-CD1 3.73Å; I72-I140 HydrophobicContact CG1-CG1 4.39Å; I72-I140 HydrophobicContact CG2-CD1 4.48Å; I72-I140 HydrophobicContact CG2-CG1 4.34Å; P75-I140 WeakPolarHBondContact CA-O 3.4Å; T76-I140 HydrophobicContact CG2-CD1 4.32Å; T76-I140 HydrophobicContact CG2-CG1 3.9Å; T76-I140 PolarHBondContact N-O 2.85Å; T76-I140 VanDerWaalsContact N-O 3.16Å; T76-I140 WeakPolarHBondContact O-CG1 3.19Å; T76-I140 PolarHBondContact O-N 3.02Å; I93-I140 HydrophobicContact CD1-CD1 3.93Å; L116-I140 HydrophobicContact CD1-CG2 4.09Å; F118-I140 HydrophobicContact CE2-CG2 4.05Å; L136-I140 HydrophobicContact CD1-CD1 3.75Å; L136-I140 HydrophobicContact CD1-CG1 3.88Å; L136-I140 HydrophobicContact CD1-CG2 4Å; K138-I140 PolarHBondContact O-N 2.69Å |
| 141 | N | 90.2 | Very high | 95 | Very high | 97 Ų | 97 | 42.5 Ų | 42.5 | 52% | 0.519 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -79.3 | 160.6 | -179.5 | -70.2 | -39.1 | 0 | 0 | 0 | 111.3 | ||
| 142 | P | 93.3 | Very high | 95.2 | Very high | 59 Ų | 59 | 44.9 Ų | 44.9 | 38% | 0.383 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -53.4 | 140.8 | 170.1 | -25.7 | 34.6 | 0 | 0 | 0 | 112.4 | I72 P75 | I72-P142 CarbonylContact O-C 2.92Å; I72-P142 WeakPolarHBondContact O-CA 3.3Å; I72-P142 WeakPolarHBondContact O-CB 3.3Å; P75-P142 HydrophobicContact CG-CG 4.2Å |
| 143 | G | 92.2 | Very high | 95.2 | Very high | 10 Ų | 10 | 45.1 Ų | 45.1 | 10% | 0.103 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 131.8 | -170.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113 | I72 | I72-G143 WeakPolarHBondContact CB-O 3.18Å; I72-G143 WeakPolarHBondContact CG1-O 3.12Å; I72-G143 PolarHBondContact N-O 2.96Å; I72-G143 PolarHBondContact O-N 3.04Å |
| 144 | P | 93.7 | Very high | 95.2 | Very high | 38 Ų | 38 | 45.7 Ų | 45.7 | 25% | 0.247 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 143.8 | -172.5 | 28.6 | -33.5 | 0 | 0 | 0 | 112.2 | L70 S95 G96 | L70-P144 WeakPolarHBondContact O-CA 3.4Å; S95-P144 PolarHBondContact OG-O 2.89Å; G96-P144 PolarHBondContact N-O 2.91Å; G96-P144 WeakPolarHBondContact O-CG 3.39Å |
| 145 | A | 95.1 | Very high | 95.2 | Very high | 5 Ų | 5 | 45.8 Ų | 45.8 | 4% | 0.041 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 158.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L70 I72 I93 T94 | L70-A145 HydrophobicContact CB-CB 4.39Å; L70-A145 PolarHBondContact N-O 3.4Å; L70-A145 PolarHBondContact O-N 3.28Å; I72-A145 HydrophobicContact CD1-CB 4.1Å; I72-A145 HydrophobicContact CG1-CB 3.84Å; I93-A145 HydrophobicContact CD1-CB 4.01Å; I93-A145 HydrophobicContact CG1-CB 4.24Å; T94-A145 CarbonylContact O-C 3.3Å; T94-A145 WeakPolarHBondContact O-CA 3.27Å |
| 146 | Q | 96.6 | Very high | 94.9 | Very high | 39 Ų | 39 | 41.8 Ų | 41.8 | 18% | 0.182 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 116.5 | 173.6 | -175.2 | 174 | 92.4 | 0 | 0 | 109.7 | K67 I68 D69 I93 T94 | K67-Q146 HydrophobicContact CB-CG 4.25Å; I68-Q146 CarbonylContact O-C 3.55Å; I68-Q146 WeakPolarHBondContact O-CA 3.47Å; D69-Q146 PolarHBondContact OD1-NE2 2.81Å; I93-Q146 WeakPolarHBondContact CA-O 3.4Å; T94-Q146 PolarHBondContact N-O 3.36Å; T94-Q146 PolarHBondContact O-N 3.14Å |
| 147 | L | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 126.7 | 173.7 | 175.9 | 59.6 | 0 | 0 | 0 | 109.1 | K67 I68 L70 F81 G92 I93 L134 L149 W194 | K67-L147 CarbonylContact C-O 3.55Å; K67-L147 VanDerWaalsContact CA-O 3.27Å; K67-L147 WeakPolarHBondContact CA-O 3.34Å; I68-L147 HydrophobicContact CB-CB 4.35Å; I68-L147 HydrophobicContact CD1-CD2 4.27Å; I68-L147 PolarHBondContact N-O 3.25Å; I68-L147 PolarHBondContact O-N 3.16Å; L70-L147 HydrophobicContact CD1-CB 3.87Å; L70-L147 HydrophobicContact CD1-CD2 4.49Å; F81-L147 HydrophobicContact CD1-CD2 4.17Å; F81-L147 HydrophobicContact CE1-CD2 3.88Å; G92-L147 WeakPolarHBondContact O-CD1 3.33Å; I93-L147 HydrophobicContact CB-CD1 4.5Å; L134-L147 HydrophobicContact CD1-CD1 3.56Å; L134-L147 HydrophobicContact CD1-CD2 4.42Å; L147-L149 HydrophobicContact CD1-CD2 4.13Å; L147-L149 HydrophobicContact CD1-CG 4.2Å; L147-L149 HydrophobicContact CD2-CD1 3.9Å; L147-L149 HydrophobicContact CD2-CG 4.36Å; L147-L149 HydrophobicContact CG-CD1 4.02Å; L147-L149 HydrophobicContact CG-CD2 4.4Å; L147-L149 HydrophobicContact CG-CG 3.97Å; L147-W194 HydrophobicContact CD2-CH2 4.36Å; L147-W194 HydrophobicContact CD2-CZ3 4.48Å |
| 148 | S | 98.5 | Very high | 93.6 | Very high | 40 Ų | 40 | 45 Ų | 45 | 28% | 0.28 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 125.5 | 176.6 | -63.9 | 0 | 0 | 0 | 0 | 109.7 | E66 A91 G92 | E66-S148 WeakPolarHBondContact O-CA 3.21Å; A91-S148 WeakPolarHBondContact CA-O 3.44Å; G92-S148 PolarHBondContact N-O 2.85Å; G92-S148 PolarHBondContact O-N 3.08Å |
| 149 | L | 98.6 | Very high | 93 | Very high | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 141 | -177.4 | -62.4 | 165.1 | 0 | 0 | 0 | 110.5 | V65 E66 I68 F81 I88 K90 A91 L147 F151 P192 | V65-L149 WeakPolarHBondContact CA-O 3.27Å; E66-L149 HydrophobicContact CG-CB 3.84Å; E66-L149 HydrophobicContact CG-CD1 4.38Å; E66-L149 PolarHBondContact N-O 3.4Å; E66-L149 PolarHBondContact O-N 3.3Å; E66-L149 WeakPolarHBondContact OE1-CD1 3.29Å; I68-L149 HydrophobicContact CD1-CD1 4.21Å; F81-L149 HydrophobicContact CE2-CD1 4.4Å; F81-L149 HydrophobicContact CZ-CD1 4.26Å; F81-L149 HydrophobicContact CZ-CD2 4.44Å; I88-L149 HydrophobicContact CG2-CD2 3.81Å; K90-L149 CarbonylContact O-C 3.06Å; K90-L149 WeakPolarHBondContact O-CA 3.45Å; A91-L149 HydrophobicContact CB-CD2 3.53Å; L147-L149 HydrophobicContact CD1-CD2 4.13Å; L147-L149 HydrophobicContact CD1-CG 4.2Å; L147-L149 HydrophobicContact CD2-CD1 3.9Å; L147-L149 HydrophobicContact CD2-CG 4.36Å; L147-L149 HydrophobicContact CG-CD1 4.02Å; L147-L149 HydrophobicContact CG-CD2 4.4Å; L147-L149 HydrophobicContact CG-CG 3.97Å; L149-F151 HydrophobicContact CB-CD1 4.4Å; L149-P192 HydrophobicContact CD1-CB 3.78Å; L149-P192 HydrophobicContact CD1-CG 4.11Å |
| 150 | K | 98.8 | Very high | 92.7 | Very high | 111 Ų | 111 | 38 Ų | 38 | 48% | 0.483 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 129.3 | 165.9 | -179.8 | 176.4 | -177.5 | -176.2 | 0 | 107.6 | G64 V65 I88 V89 K90 | G64-K150 WeakPolarHBondContact O-CA 3.3Å; V65-K150 HydrophobicContact CG2-CB 4.44Å; V65-K150 HydrophobicContact CG2-CG 4.08Å; I88-K150 CarbonylContact C-O 3.38Å; V89-K150 PolarHBondContact N-O 3.44Å; K90-K150 HydrophobicContact CB-CB 4.07Å; K90-K150 PolarHBondContact N-O 3.2Å; K90-K150 VanDerWaalsContact N-O 3.1Å; K90-K150 PolarHBondContact O-N 3.46Å |
| 151 | F | 98.7 | Very high | 92.6 | Very high | 1 Ų | 1 | 38 Ų | 38 | 0% | 0.004 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 166.5 | -172.8 | 58.9 | -91.6 | 0 | 0 | 0 | 112.5 | L51 L53 F62 G64 E66 I86 D87 I88 L149 A190 F191 P192 | L51-F151 HydrophobicContact CD1-CZ 4.04Å; L53-F151 HydrophobicContact CD2-CE2 3.99Å; L53-F151 HydrophobicContact CD2-CZ 4.07Å; F62-F151 HydrophobicContact CE2-CD2 4.44Å; F62-F151 HydrophobicContact CE2-CE2 4.12Å; G64-F151 PolarHBondContact N-O 3.23Å; G64-F151 PolarHBondContact O-N 2.75Å; E66-F151 HydrophobicContact CB-CE1 4.33Å; E66-F151 HydrophobicContact CG-CE1 3.92Å; I86-F151 HydrophobicContact CD1-CD2 4.38Å; I86-F151 HydrophobicContact CG2-CB 3.68Å; I86-F151 HydrophobicContact CG2-CD2 3.85Å; I86-F151 HydrophobicContact CG2-CG 3.97Å; D87-F151 CarbonylContact O-C 3.55Å; D87-F151 WeakPolarHBondContact O-CA 3.3Å; D87-F151 VanDerWaalsContact O-CB 3.28Å; D87-F151 WeakPolarHBondContact O-CB 3.42Å; I88-F151 HydrophobicContact CG1-CB 4.25Å; L149-F151 HydrophobicContact CB-CD1 4.4Å; F151-A190 VanDerWaalsContact CE2-O 3.3Å; F151-A190 WeakPolarHBondContact CE2-O 3.46Å; F151-F191 HydrophobicContact CE1-CB 4.23Å; F151-F191 HydrophobicContact CE2-CB 3.97Å; F151-F191 HydrophobicContact CZ-CB 3.47Å; F151-F191 VanDerWaalsContact CZ-CB 3.47Å; F151-P192 HydrophobicContact CD1-CG 4.06Å; F151-P192 HydrophobicContact CE1-CG 4.46Å; F151-P192 HydrophobicContact CG-CG 4.3Å |
| 152 | T | 98.6 | Very high | 92.9 | Very high | 56 Ų | 56 | 33.4 Ų | 33.4 | 34% | 0.344 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 158.4 | 170.7 | 66.7 | 0 | 0 | 0 | 0 | 110.2 | F62 I86 D87 V89 | F62-T152 WeakPolarHBondContact O-CA 3.49Å; I86-T152 WeakPolarHBondContact CA-O 2.95Å; D87-T152 PolarHBondContact N-O 2.95Å; D87-T152 PolarHBondContact O-N 3Å; V89-T152 HydrophobicContact CG2-CG2 4.29Å |
| 153 | G | 97.9 | Very high | 92.9 | Very high | 6 Ų | 6 | 31.6 Ų | 31.6 | 6% | 0.062 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | -179.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | T61 F62 | T61-G153 CarbonylContact C-O 3.54Å; T61-G153 WeakPolarHBondContact CA-O 3Å; T61-G153 WeakPolarHBondContact CB-O 2.71Å; F62-G153 VanDerWaalsContact CE1-C 3.41Å; F62-G153 PolarHBondContact N-O 2.94Å; F62-G153 PolarHBondContact O-N 3.01Å |
| 154 | V | 96.6 | Very high | 92.9 | Very high | 69 Ų | 69 | 34.1 Ų | 34.1 | 42% | 0.418 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 135 | -175.8 | -65.5 | 0 | 0 | 0 | 0 | 111.7 | N156 | V154-N156 HydrophobicContact CG2-CB 4.4Å; V154-N156 PolarHBondContact O-N 3.38Å |
| 155 | L | 96.1 | Very high | 92.7 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | trans | -77.8 | 78 | 164.4 | -63.1 | 176.4 | 0 | 0 | 0 | 108.3 | P55 F60 F62 F162 R164 A178 | P55-L155 HydrophobicContact CB-CD1 3.98Å; F60-L155 HydrophobicContact CB-CB 4.12Å; F60-L155 WeakPolarHBondContact O-CB 3.28Å; F60-L155 PolarHBondContact O-N 2.96Å; F62-L155 HydrophobicContact CD1-CD2 3.92Å; F62-L155 HydrophobicContact CD1-CG 4.2Å; L155-F162 HydrophobicContact CD2-CB 4.38Å; L155-F162 HydrophobicContact CD2-CD1 3.6Å; L155-F162 HydrophobicContact CD2-CD2 3.61Å; L155-F162 HydrophobicContact CD2-CE1 3.71Å; L155-F162 HydrophobicContact CD2-CE2 3.74Å; L155-F162 HydrophobicContact CD2-CG 3.55Å; L155-F162 HydrophobicContact CD2-CZ 3.79Å; L155-R164 HydrophobicContact CB-CB 4.22Å; L155-A178 HydrophobicContact CD1-CB 4.08Å; L155-A178 HydrophobicContact CD2-CB 4.04Å | ||
| 156 | N | 89.8 | Confident | 92.4 | Very high | 12 Ų | 12 | 33 Ų | 33 | 6% | 0.064 | 17% | 0.168 | C | C | . | . | B | Isolated β-bridge | trans | -63.1 | 169.7 | 178.3 | 73.2 | 83.7 | 0 | 0 | 0 | 111.4 | V154 K158 R160 F162 Y163 R164 | V154-N156 HydrophobicContact CG2-CB 4.4Å; V154-N156 PolarHBondContact O-N 3.38Å; N156-K158 HydrophobicContact CB-CG 4.43Å; N156-K158 WeakPolarHBondContact OD1-CA 3.41Å; N156-K158 VanDerWaalsContact OD1-CB 3.26Å; N156-K158 WeakPolarHBondContact OD1-CB 3.49Å; N156-K158 PolarHBondContact OD1-N 2.87Å; N156-R160 PolarHBondContact ND2-O 3.43Å; N156-R160 PolarHBondContact OD1-O 3.02Å; N156-F162 PolarHBondContact ND2-O 3.09Å; N156-Y163 CarbonylContact O-C 3.52Å; N156-Y163 VanDerWaalsContact O-CA 3.25Å; N156-Y163 WeakPolarHBondContact O-CA 3.5Å; N156-Y163 WeakPolarHBondContact O-CB 3.4Å; N156-R164 PolarHBondContact O-N 2.86Å |
| 157 | D | 83.5 | Confident | 91.9 | Very high | 101 Ų | 101 | 31.9 Ų | 31.9 | 54% | 0.54 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -114.1 | 27.5 | 176.8 | 49.3 | 8.9 | 0 | 0 | 0 | 112.5 | R164 | D157-R164 HydrophobicContact CB-CG 4.35Å; D157-R164 IonicContact OD2-CZ 3.16Å; D157-R164 IonicContact OD2-NE 2.9Å; D157-R164 IonicContact OD2-NH2 3.4Å; D157-R164 PolarHBondContact OD2-NH2 3.16Å |
| 158 | K | 76.2 | Confident | 91.3 | Very high | 78 Ų | 78 | 35.9 Ų | 35.9 | 34% | 0.339 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -100.2 | 12.1 | -175.1 | -52.7 | 175.4 | -177.4 | 171.2 | 0 | 113.4 | N156 R160 | N156-K158 HydrophobicContact CB-CG 4.43Å; N156-K158 WeakPolarHBondContact OD1-CA 3.41Å; N156-K158 VanDerWaalsContact OD1-CB 3.26Å; N156-K158 WeakPolarHBondContact OD1-CB 3.49Å; N156-K158 PolarHBondContact OD1-N 2.87Å; K158-R160 VanDerWaalsContact C-N 3.28Å; K158-R160 HydrophobicContact CB-CG 4.31Å; K158-R160 PolarHBondContact O-N 3.13Å |
| 159 | L | 78.5 | Confident | 90.8 | Very high | 41 Ų | 41 | 36.3 Ų | 36.3 | 22% | 0.215 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 56.6 | 32.3 | 178.3 | -55.3 | 176.4 | 0 | 0 | 0 | 114.7 | Y163 | L159-Y163 HydrophobicContact CB-CE2 4.4Å; L159-Y163 HydrophobicContact CD2-CD2 4.01Å; L159-Y163 HydrophobicContact CD2-CE2 3.44Å; L159-Y163 VanDerWaalsContact CD2-CE2 3.44Å |
| 160 | R | 83.6 | Confident | 90 | Very high | 30 Ų | 30 | 43.8 Ų | 43.8 | 11% | 0.113 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -149.6 | 154.8 | 179.7 | 67.9 | -177.5 | -175.3 | -180 | 2.9 | 111.8 | E85 N156 K158 T884 | E85-R160 IonicContact OE1-NH2 3.88Å; N156-R160 PolarHBondContact ND2-O 3.43Å; N156-R160 PolarHBondContact OD1-O 3.02Å; K158-R160 VanDerWaalsContact C-N 3.28Å; K158-R160 HydrophobicContact CB-CG 4.31Å; K158-R160 PolarHBondContact O-N 3.13Å; R160-T884 PolarHBondContact NH1-OG1 3.21Å |
| 161 | G | 91.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 67.1 | -142.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | T180 Q181 S186 | G161-T180 CarbonylContact O-C 3.39Å; G161-T180 VanDerWaalsContact O-CA 3.25Å; G161-T180 WeakPolarHBondContact O-CA 3.19Å; G161-Q181 PolarHBondContact N-O 3.1Å; G161-Q181 PolarHBondContact O-N 2.92Å; G161-S186 WeakPolarHBondContact CA-O 3.37Å |
| 162 | F | 96 | Very high | 88.7 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 110.6 | 169.7 | -171 | -163.9 | 0 | 0 | 0 | 109.1 | P55 F62 L155 N156 A178 T179 T180 A190 F249 | P55-F162 HydrophobicContact CB-CE1 4.02Å; P55-F162 HydrophobicContact CB-CZ 3.77Å; P55-F162 HydrophobicContact CG-CZ 4.05Å; F62-F162 HydrophobicContact CB-CD1 4.16Å; F62-F162 HydrophobicContact CB-CE1 3.91Å; F62-F162 AromaticContact CD1-CD1 3.49Å; F62-F162 HydrophobicContact CD1-CD1 3.49Å; F62-F162 VanDerWaalsContact CD1-CD1 3.49Å; F62-F162 HydrophobicContact CD1-CE1 4.11Å; F62-F162 HydrophobicContact CD1-CG 4.3Å; F62-F162 HydrophobicContact CD2-CD1 4.08Å; F62-F162 HydrophobicContact CD2-CE1 4.46Å; F62-F162 HydrophobicContact CE1-CB 4.04Å; F62-F162 AromaticContact CE1-CD1 3.78Å; F62-F162 HydrophobicContact CE1-CD1 3.78Å; F62-F162 HydrophobicContact CE1-CG 4.31Å; F62-F162 HydrophobicContact CE2-CD1 4.35Å; F62-F162 AromaticContact CG-CD1 3.64Å; F62-F162 HydrophobicContact CG-CD1 3.64Å; F62-F162 AromaticContact CG-CE1 3.91Å; F62-F162 HydrophobicContact CG-CE1 3.91Å; F62-F162 HydrophobicContact CZ-CB 4.4Å; F62-F162 HydrophobicContact CZ-CD1 4.19Å; L155-F162 HydrophobicContact CD2-CB 4.38Å; L155-F162 HydrophobicContact CD2-CD1 3.6Å; L155-F162 HydrophobicContact CD2-CD2 3.61Å; L155-F162 HydrophobicContact CD2-CE1 3.71Å; L155-F162 HydrophobicContact CD2-CE2 3.74Å; L155-F162 HydrophobicContact CD2-CG 3.55Å; L155-F162 HydrophobicContact CD2-CZ 3.79Å; N156-F162 PolarHBondContact ND2-O 3.09Å; F162-A178 HydrophobicContact CD2-CB 4.34Å; F162-A178 HydrophobicContact CE2-CB 3.46Å; F162-A178 VanDerWaalsContact CE2-CB 3.46Å; F162-A178 HydrophobicContact CZ-CB 3.89Å; F162-T179 WeakPolarHBondContact CD2-O 3.4Å; F162-T180 HydrophobicContact CD2-CG2 3.99Å; F162-A190 HydrophobicContact CB-CB 3.85Å; F162-F249 HydrophobicContact CB-CE2 4.37Å; F162-F249 AromaticContact CD1-CE2 3.74Å; F162-F249 HydrophobicContact CD1-CE2 3.74Å; F162-F249 HydrophobicContact CD1-CZ 4.41Å; F162-F249 HydrophobicContact CD2-CD2 4.14Å; F162-F249 AromaticContact CD2-CE2 3.57Å; F162-F249 HydrophobicContact CD2-CE2 3.57Å; F162-F249 HydrophobicContact CE1-CD2 4.44Å; F162-F249 AromaticContact CE1-CE2 3.75Å; F162-F249 HydrophobicContact CE1-CE2 3.75Å; F162-F249 AromaticContact CE2-CD2 3.77Å; F162-F249 HydrophobicContact CE2-CD2 3.77Å; F162-F249 AromaticContact CE2-CE2 3.56Å; F162-F249 HydrophobicContact CE2-CE2 3.56Å; F162-F249 AromaticContact CG-CE2 3.66Å; F162-F249 HydrophobicContact CG-CE2 3.66Å; F162-F249 HydrophobicContact CG-CZ 4.37Å; F162-F249 AromaticContact CZ-CD2 3.94Å; F162-F249 HydrophobicContact CZ-CD2 3.94Å; F162-F249 AromaticContact CZ-CE2 3.65Å; F162-F249 HydrophobicContact CZ-CE2 3.65Å |
| 163 | Y | 92.2 | Very high | 88.4 | Confident | 20 Ų | 20 | 47.6 Ų | 47.6 | 8% | 0.078 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 159.2 | -167.1 | 72.4 | -90.4 | 0 | 0 | 0 | 111.9 | N156 L159 A178 T179 Q181 | N156-Y163 CarbonylContact O-C 3.52Å; N156-Y163 VanDerWaalsContact O-CA 3.25Å; N156-Y163 WeakPolarHBondContact O-CA 3.5Å; N156-Y163 WeakPolarHBondContact O-CB 3.4Å; L159-Y163 HydrophobicContact CB-CE2 4.4Å; L159-Y163 HydrophobicContact CD2-CD2 4.01Å; L159-Y163 HydrophobicContact CD2-CE2 3.44Å; L159-Y163 VanDerWaalsContact CD2-CE2 3.44Å; Y163-A178 CarbonylContact O-C 3.6Å; Y163-A178 WeakPolarHBondContact O-CA 3.48Å; Y163-T179 HydrophobicContact CD1-CG2 4.31Å; Y163-T179 VanDerWaalsContact CD1-O 3.31Å; Y163-T179 WeakPolarHBondContact CD1-O 3.26Å; Y163-T179 HydrophobicContact CD2-CG2 4.05Å; Y163-T179 HydrophobicContact CE1-CG2 3.75Å; Y163-T179 HydrophobicContact CE2-CG2 3.44Å; Y163-T179 VanDerWaalsContact CE2-CG2 3.44Å; Y163-T179 HydrophobicContact CG-CG2 4.45Å; Y163-T179 PolarHBondContact N-O 2.83Å; Y163-T179 PolarHBondContact O-N 2.8Å; Y163-T179 WeakPolarHBondContact OH-CG2 3.41Å; Y163-Q181 HydrophobicContact CE1-CB 3.78Å |
| 164 | R | 93.9 | Very high | 88.1 | Confident | 63 Ų | 63 | 49.9 Ų | 49.9 | 24% | 0.238 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 143.1 | 175 | 70.7 | -173.4 | 178.7 | -145.3 | -3.8 | 111.4 | F60 L155 N156 D157 M177 | F60-R164 HydrophobicContact CD1-CB 4.09Å; F60-R164 HydrophobicContact CD1-CG 4.27Å; F60-R164 HydrophobicContact CE1-CB 4.4Å; L155-R164 HydrophobicContact CB-CB 4.22Å; N156-R164 PolarHBondContact O-N 2.86Å; D157-R164 HydrophobicContact CB-CG 4.35Å; D157-R164 IonicContact OD2-CZ 3.16Å; D157-R164 IonicContact OD2-NE 2.9Å; D157-R164 IonicContact OD2-NH2 3.4Å; D157-R164 PolarHBondContact OD2-NH2 3.16Å; R164-M177 CarbonylContact C-O 3.54Å; R164-M177 WeakPolarHBondContact CA-O 3.3Å |
| 165 | S | 88.6 | Confident | 87.9 | Confident | 17 Ų | 17 | 49 Ų | 49 | 12% | 0.119 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 169 | 164.8 | -154.3 | 0 | 0 | 0 | 0 | 109.6 | G7 Y176 M177 | G7-S165 PolarHBondContact O-OG 3.12Å; S165-Y176 WeakPolarHBondContact O-CA 3.41Å; S165-M177 PolarHBondContact N-O 3.43Å; S165-M177 PolarHBondContact O-N 3.5Å; S165-M177 VanDerWaalsContact O-O 3.11Å |
| 166 | S | 89.2 | Confident | 87.8 | Confident | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 137 | -177.8 | 68.7 | 0 | 0 | 0 | 0 | 114 | G7 S8 Y9 H175 | G7-S166 CarbonylContact C-O 3.57Å; G7-S166 CarbonylContact O-C 3.59Å; G7-S166 VanDerWaalsContact O-C 3.29Å; G7-S166 PolarHBondContact O-N 3.33Å; G7-S166 VanDerWaalsContact O-N 3.16Å; S8-S166 CarbonylContact C-O 3.6Å; S8-S166 WeakPolarHBondContact CA-O 3.23Å; S8-S166 PolarHBondContact N-O 3.32Å; S8-S166 VanDerWaalsContact O-O 3.12Å; Y9-S166 WeakPolarHBondContact CB-OG 3.46Å; Y9-S166 WeakPolarHBondContact CD2-OG 3.36Å; S166-H175 CarbonylContact C-O 3.54Å; S166-H175 WeakPolarHBondContact CA-O 3.39Å; S166-H175 VanDerWaalsContact CB-O 3.24Å; S166-H175 WeakPolarHBondContact CB-O 3.32Å |
| 167 | Y | 85.9 | Confident | 88.1 | Confident | 16 Ų | 16 | 51 Ų | 51 | 6% | 0.063 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 163.2 | 175.6 | 68.5 | -81.7 | 0 | 0 | 0 | 111.4 | K174 H175 M177 D253 V272 | Y167-K174 WeakPolarHBondContact O-CA 3.47Å; Y167-H175 HydrophobicContact CD1-CB 3.94Å; Y167-H175 HydrophobicContact CD2-CB 4.49Å; Y167-H175 HydrophobicContact CE1-CB 3.43Å; Y167-H175 VanDerWaalsContact CE1-CB 3.43Å; Y167-H175 HydrophobicContact CE2-CB 4.04Å; Y167-H175 AromaticContact CE2-CD2 3.99Å; Y167-H175 HydrophobicContact CG-CB 4.44Å; Y167-H175 VanDerWaalsContact CZ-CB 3.48Å; Y167-H175 AromaticContact CZ-CG 3.87Å; Y167-H175 PolarHBondContact N-O 3.44Å; Y167-H175 PolarHBondContact O-N 3.3Å; Y167-M177 HydrophobicContact CD1-CE 3.86Å; Y167-M177 HydrophobicContact CE1-CE 4Å; Y167-D253 WeakPolarHBondContact OH-CB 3.33Å; Y167-D253 PolarHBondContact OH-O 3.45Å; Y167-V272 HydrophobicContact CD1-CB 4.45Å; Y167-V272 HydrophobicContact CD1-CG1 3.56Å; Y167-V272 HydrophobicContact CD2-CB 3.88Å; Y167-V272 HydrophobicContact CD2-CG1 3.81Å; Y167-V272 HydrophobicContact CD2-CG2 4.3Å; Y167-V272 HydrophobicContact CE1-CB 4.38Å; Y167-V272 HydrophobicContact CE1-CG1 3.72Å; Y167-V272 HydrophobicContact CE2-CB 3.8Å; Y167-V272 HydrophobicContact CE2-CG1 3.96Å; Y167-V272 HydrophobicContact CG-CB 4.22Å; Y167-V272 HydrophobicContact CG-CG1 3.6Å |
| 168 | E | 86.2 | Confident | 88.7 | Confident | 83 Ų | 83 | 46.2 Ų | 46.2 | 39% | 0.388 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 134.3 | 170.4 | -71.8 | 169 | -165.9 | 0 | 0 | 108.8 | V173 | E168-V173 WeakPolarHBondContact CA-O 3.31Å |
| 169 | D | 86.2 | Confident | 89.6 | Confident | 49 Ų | 49 | 42.8 Ų | 42.8 | 26% | 0.262 | 22% | 0.216 | S | C | . | . | trans | -80 | -173.6 | 173.8 | 68.9 | 17.8 | 0 | 0 | 0 | 112.2 | D171 G172 V173 H175 | D169-D171 PolarHBondContact O-N 2.99Å; D169-D171 WeakPolarHBondContact OD1-CA 3.47Å; D169-D171 WeakPolarHBondContact OD1-CB 3.4Å; D169-D171 PolarHBondContact OD1-N 2.83Å; D169-G172 PolarHBondContact O-N 2.91Å; D169-G172 VanDerWaalsContact O-N 3.09Å; D169-G172 PolarHBondContact OD1-N 3.19Å; D169-V173 PolarHBondContact N-O 3.5Å; D169-V173 PolarHBondContact OD1-N 2.85Å; D169-V173 WeakPolarHBondContact OD2-CB 3.49Å; D169-H175 IonicContact OD2-CD2 3.5Å; D169-H175 IonicContact OD2-CE1 3.82Å; D169-H175 IonicContact OD2-NE2 2.7Å; D169-H175 PolarHBondContact OD2-NE2 3.07Å | ||
| 170 | K | 82.7 | Confident | 90.3 | Very high | 162 Ų | 162 | 40.9 Ų | 40.9 | 70% | 0.704 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -28 | -180 | 63.9 | -178.8 | -178.2 | 177.8 | 0 | 113.5 | K808 | K170-K808 PolarHBondContact O-NZ 3.37Š|
| 171 | D | 86.9 | Confident | 90.4 | Very high | 123 Ų | 123 | 40.2 Ų | 40.2 | 66% | 0.658 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 0.1 | -177 | -58.3 | -46.3 | 0 | 0 | 0 | 111.5 | D169 V173 | D169-D171 PolarHBondContact O-N 2.99Å; D169-D171 WeakPolarHBondContact OD1-CA 3.47Å; D169-D171 WeakPolarHBondContact OD1-CB 3.4Å; D169-D171 PolarHBondContact OD1-N 2.83Å; D171-V173 VanDerWaalsContact C-N 3.28Å; D171-V173 HydrophobicContact CB-CG2 4.35Å |
| 172 | G | 84.2 | Confident | 90.4 | Very high | 46 Ų | 46 | 40.2 Ų | 40.2 | 47% | 0.474 | 20% | 0.204 | S | C | . | . | trans | 79.4 | 9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D169 | D169-G172 PolarHBondContact O-N 2.91Å; D169-G172 VanDerWaalsContact O-N 3.09Å; D169-G172 PolarHBondContact OD1-N 3.19Å | ||
| 173 | V | 90.9 | Very high | 89.9 | Confident | 79 Ų | 79 | 41 Ų | 41 | 48% | 0.479 | 21% | 0.208 | S | C | . | . | trans | -76.1 | 135.7 | 177.1 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | E168 D169 D171 H175 | E168-V173 WeakPolarHBondContact CA-O 3.31Å; D169-V173 PolarHBondContact N-O 3.5Å; D169-V173 PolarHBondContact OD1-N 2.85Å; D169-V173 WeakPolarHBondContact OD2-CB 3.49Å; D171-V173 VanDerWaalsContact C-N 3.28Å; D171-V173 HydrophobicContact CB-CG2 4.35Å; V173-H175 PolarHBondContact O-CD2 3.43Å | ||
| 174 | K | 91.1 | Very high | 89.4 | Confident | 54 Ų | 54 | 40.2 Ų | 40.2 | 24% | 0.235 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 124.5 | -176 | -168.3 | 179.6 | -160.7 | 166.7 | 0 | 111.2 | Y9 S10 Y167 | Y9-K174 VanDerWaalsContact CD1-NZ 3.31Å; Y9-K174 HydrophobicContact CD2-CD 4.34Å; Y9-K174 VanDerWaalsContact CE1-NZ 3.26Å; Y9-K174 HydrophobicContact CE2-CD 4.3Å; Y9-K174 VanDerWaalsContact CG-CE 3.44Å; S10-K174 PolarHBondContact O-NZ 2.87Å; Y167-K174 WeakPolarHBondContact O-CA 3.47Å |
| 175 | H | 93.2 | Very high | 89.1 | Confident | 51 Ų | 51 | 37.9 Ų | 37.9 | 24% | 0.236 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 144.2 | 179.3 | -64.9 | -85.3 | 0 | 0 | 0 | 110.2 | S166 Y167 D169 V173 D253 | S166-H175 CarbonylContact C-O 3.54Å; S166-H175 WeakPolarHBondContact CA-O 3.39Å; S166-H175 VanDerWaalsContact CB-O 3.24Å; S166-H175 WeakPolarHBondContact CB-O 3.32Å; Y167-H175 HydrophobicContact CD1-CB 3.94Å; Y167-H175 HydrophobicContact CD2-CB 4.49Å; Y167-H175 HydrophobicContact CE1-CB 3.43Å; Y167-H175 VanDerWaalsContact CE1-CB 3.43Å; Y167-H175 HydrophobicContact CE2-CB 4.04Å; Y167-H175 AromaticContact CE2-CD2 3.99Å; Y167-H175 HydrophobicContact CG-CB 4.44Å; Y167-H175 VanDerWaalsContact CZ-CB 3.48Å; Y167-H175 AromaticContact CZ-CG 3.87Å; Y167-H175 PolarHBondContact N-O 3.44Å; Y167-H175 PolarHBondContact O-N 3.3Å; D169-H175 IonicContact OD2-CD2 3.5Å; D169-H175 IonicContact OD2-CE1 3.82Å; D169-H175 IonicContact OD2-NE2 2.7Å; D169-H175 PolarHBondContact OD2-NE2 3.07Å; V173-H175 PolarHBondContact O-CD2 3.43Å; H175-D253 IonicContact ND1-OD2 3.72Å |
| 176 | Y | 95 | Very high | 89.2 | Confident | 55 Ų | 55 | 37.7 Ų | 37.7 | 22% | 0.216 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 147 | 176.5 | -65.2 | -82.7 | 0 | 0 | 0 | 111.7 | Y9 F60 S165 | Y9-Y176 HydrophobicContact CD2-CE1 4.06Å; Y9-Y176 AromaticContact CE2-CE1 3.76Å; Y9-Y176 HydrophobicContact CE2-CE1 3.76Å; Y9-Y176 AromaticContact CE2-CZ 3.92Å; Y9-Y176 VanDerWaalsContact CE2-OH 3.24Å; Y9-Y176 WeakPolarHBondContact CE2-OH 3.5Å; F60-Y176 AromaticContact CE1-CD1 3.66Å; F60-Y176 HydrophobicContact CE1-CD1 3.66Å; F60-Y176 HydrophobicContact CE1-CD2 4.21Å; F60-Y176 AromaticContact CE1-CE1 4Å; F60-Y176 HydrophobicContact CE1-CE1 4Å; F60-Y176 AromaticContact CE1-CG 3.78Å; F60-Y176 HydrophobicContact CE1-CG 3.78Å; F60-Y176 AromaticContact CZ-CD1 3.75Å; F60-Y176 HydrophobicContact CZ-CD1 3.75Å; F60-Y176 HydrophobicContact CZ-CD2 4.01Å; F60-Y176 AromaticContact CZ-CE1 3.61Å; F60-Y176 HydrophobicContact CZ-CE1 3.61Å; F60-Y176 AromaticContact CZ-CE2 3.88Å; F60-Y176 HydrophobicContact CZ-CE2 3.88Å; F60-Y176 AromaticContact CZ-CG 3.96Å; F60-Y176 HydrophobicContact CZ-CG 3.96Å; F60-Y176 AromaticContact CZ-CZ 3.67Å; S165-Y176 WeakPolarHBondContact O-CA 3.41Å |
| 177 | M | 95.1 | Very high | 89.5 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 153.6 | 170.1 | 58.6 | 175.4 | 54.2 | 0 | 0 | 109.8 | L4 R164 S165 Y167 V251 L254 V272 | L4-M177 HydrophobicContact CD2-CE 4.04Å; L4-M177 HydrophobicContact CD2-SD 4.31Å; R164-M177 CarbonylContact C-O 3.54Å; R164-M177 WeakPolarHBondContact CA-O 3.3Å; S165-M177 PolarHBondContact N-O 3.43Å; S165-M177 PolarHBondContact O-N 3.5Å; S165-M177 VanDerWaalsContact O-O 3.11Å; Y167-M177 HydrophobicContact CD1-CE 3.86Å; Y167-M177 HydrophobicContact CE1-CE 4Å; M177-V251 CarbonylContact C-O 3.56Å; M177-V251 WeakPolarHBondContact CA-O 3.29Å; M177-V251 WeakPolarHBondContact CB-O 3.29Å; M177-L254 HydrophobicContact CE-CD2 3.83Å; M177-V272 HydrophobicContact CE-CG1 3.9Å |
| 178 | A | 96.8 | Very high | 90 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 136.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | P55 F57 L155 F162 Y163 I250 V251 | P55-A178 HydrophobicContact CB-CB 4.47Å; F57-A178 HydrophobicContact CE1-CB 4.01Å; F57-A178 HydrophobicContact CZ-CB 3.84Å; L155-A178 HydrophobicContact CD1-CB 4.08Å; L155-A178 HydrophobicContact CD2-CB 4.04Å; F162-A178 HydrophobicContact CD2-CB 4.34Å; F162-A178 HydrophobicContact CE2-CB 3.46Å; F162-A178 VanDerWaalsContact CE2-CB 3.46Å; F162-A178 HydrophobicContact CZ-CB 3.89Å; Y163-A178 CarbonylContact O-C 3.6Å; Y163-A178 WeakPolarHBondContact O-CA 3.48Å; A178-I250 CarbonylContact O-C 3.46Å; A178-I250 VanDerWaalsContact O-CA 3.31Å; A178-I250 WeakPolarHBondContact O-CA 3.26Å; A178-V251 HydrophobicContact CB-CB 4.47Å; A178-V251 PolarHBondContact N-O 2.8Å; A178-V251 PolarHBondContact O-N 2.79Å |
| 179 | T | 94 | Very high | 90.5 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 4% | 0.037 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 169.3 | -175.5 | -174.3 | 0 | 0 | 0 | 0 | 110.1 | F162 Y163 | F162-T179 WeakPolarHBondContact CD2-O 3.4Å; Y163-T179 HydrophobicContact CD1-CG2 4.31Å; Y163-T179 VanDerWaalsContact CD1-O 3.31Å; Y163-T179 WeakPolarHBondContact CD1-O 3.26Å; Y163-T179 HydrophobicContact CD2-CG2 4.05Å; Y163-T179 HydrophobicContact CE1-CG2 3.75Å; Y163-T179 HydrophobicContact CE2-CG2 3.44Å; Y163-T179 VanDerWaalsContact CE2-CG2 3.44Å; Y163-T179 HydrophobicContact CG-CG2 4.45Å; Y163-T179 PolarHBondContact N-O 2.83Å; Y163-T179 PolarHBondContact O-N 2.8Å; Y163-T179 WeakPolarHBondContact OH-CG2 3.41Å |
| 180 | T | 92.8 | Very high | 91 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 143.5 | -172.1 | 51.9 | 0 | 0 | 0 | 0 | 112.1 | G161 F162 F182 A248 F249 | G161-T180 CarbonylContact O-C 3.39Å; G161-T180 VanDerWaalsContact O-CA 3.25Å; G161-T180 WeakPolarHBondContact O-CA 3.19Å; F162-T180 HydrophobicContact CD2-CG2 3.99Å; T180-F182 HydrophobicContact CG2-CE1 3.64Å; T180-F182 HydrophobicContact CG2-CE2 4.26Å; T180-F182 HydrophobicContact CG2-CZ 3.46Å; T180-F182 VanDerWaalsContact CG2-CZ 3.46Å; T180-A248 VanDerWaalsContact OG1-CA 3.26Å; T180-A248 WeakPolarHBondContact OG1-CA 3.25Å; T180-A248 WeakPolarHBondContact OG1-CB 3.47Å; T180-F249 HydrophobicContact CG2-CD1 4.14Å; T180-F249 HydrophobicContact CG2-CD2 3.48Å; T180-F249 VanDerWaalsContact CG2-CD2 3.48Å; T180-F249 HydrophobicContact CG2-CE1 3.97Å; T180-F249 HydrophobicContact CG2-CE2 3.28Å; T180-F249 HydrophobicContact CG2-CG 3.91Å; T180-F249 HydrophobicContact CG2-CZ 3.54Å; T180-F249 PolarHBondContact OG1-N 3.08Å; T180-F249 VanDerWaalsContact OG1-N 3.14Å; T180-F249 PolarHBondContact OG1-O 2.8Å |
| 181 | Q | 87.5 | Confident | 91.8 | Very high | 16 Ų | 16 | 23.7 Ų | 23.7 | 8% | 0.075 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 101.3 | 164.2 | 176 | 69 | 31.7 | 0 | 0 | 107.3 | G161 Y163 S186 | G161-Q181 PolarHBondContact N-O 3.1Å; G161-Q181 PolarHBondContact O-N 2.92Å; Y163-Q181 HydrophobicContact CE1-CB 3.78Å; Q181-S186 VanDerWaalsContact O-CB 3.25Å; Q181-S186 WeakPolarHBondContact O-CB 3.39Å |
| 182 | F | 90.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | trans | -100.8 | -23.2 | -171.8 | -69.4 | -10.5 | 0 | 0 | 0 | 114.3 | T180 S184 T185 S186 A187 A190 F191 V247 F249 | T180-F182 HydrophobicContact CG2-CE1 3.64Å; T180-F182 HydrophobicContact CG2-CE2 4.26Å; T180-F182 HydrophobicContact CG2-CZ 3.46Å; T180-F182 VanDerWaalsContact CG2-CZ 3.46Å; F182-S184 CarbonylContact O-C 3.54Å; F182-T185 PolarHBondContact O-N 2.8Å; F182-S186 WeakPolarHBondContact O-CA 3.46Å; F182-S186 WeakPolarHBondContact O-CB 3.45Å; F182-S186 PolarHBondContact O-N 2.89Å; F182-A187 HydrophobicContact CB-CB 3.95Å; F182-A187 HydrophobicContact CD1-CB 4.38Å; F182-A187 HydrophobicContact CD2-CB 3.69Å; F182-A187 HydrophobicContact CE2-CB 4.29Å; F182-A187 HydrophobicContact CG-CB 3.76Å; F182-A190 HydrophobicContact CE1-CB 3.43Å; F182-A190 VanDerWaalsContact CE1-CB 3.43Å; F182-A190 HydrophobicContact CE2-CB 4.43Å; F182-A190 HydrophobicContact CZ-CB 3.36Å; F182-F191 AromaticContact CE2-CE1 3.78Å; F182-F191 HydrophobicContact CE2-CE1 3.78Å; F182-F191 HydrophobicContact CZ-CE1 4.17Å; F182-V247 HydrophobicContact CD2-CB 3.88Å; F182-V247 HydrophobicContact CD2-CG1 4.44Å; F182-V247 WeakPolarHBondContact CD2-O 3.31Å; F182-V247 HydrophobicContact CE2-CB 3.77Å; F182-V247 HydrophobicContact CE2-CG1 3.82Å; F182-V247 VanDerWaalsContact CE2-O 3.28Å; F182-V247 WeakPolarHBondContact CE2-O 3.43Å; F182-F249 HydrophobicContact CE2-CE1 4.05Å; F182-F249 HydrophobicContact CE2-CZ 4.4Å; F182-F249 AromaticContact CZ-CE1 3.83Å; F182-F249 HydrophobicContact CZ-CE1 3.83Å; F182-F249 AromaticContact CZ-CZ 3.73Å; F182-F249 HydrophobicContact CZ-CZ 3.73Å | ||
| 183 | E | 84.7 | Confident | 93 | Very high | 16 Ų | 16 | 15.6 Ų | 15.6 | 8% | 0.075 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | 134.8 | 175.7 | -167.8 | 174.4 | 176 | 0 | 0 | 112.2 | Y245 W357 K363 Y422 | E183-Y245 HydrophobicContact CB-CD2 4Å; E183-Y245 HydrophobicContact CG-CD2 4Å; E183-W357 HydrophobicContact CG-CH2 4.17Å; E183-W357 HydrophobicContact CG-CZ3 4.31Å; E183-K363 IonicContact OE1-NZ 3.55Å; E183-K363 PolarHBondContact OE1-NZ 2.82Å; E183-K363 IonicContact OE2-NZ 3.81Å; E183-K363 PolarHBondContact OE2-NZ 3.37Å; E183-Y422 WeakPolarHBondContact CG-OH 3.3Å; E183-Y422 PolarHBondContact OE1-OH 3.1Å |
| 184 | S | 81.4 | Confident | 93.3 | Very high | 4 Ų | 4 | 12 Ų | 12 | 3% | 0.028 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -87.5 | -34.1 | -0.5 | -48.8 | 0 | 0 | 0 | 0 | 114.3 | F182 W357 V418 Y422 | F182-S184 CarbonylContact O-C 3.54Å; S184-W357 VanDerWaalsContact CB-CH2 3.5Å; S184-W357 WeakPolarHBondContact O-CZ2 3.46Å; S184-V418 WeakPolarHBondContact OG-CG1 3.49Å; S184-Y422 WeakPolarHBondContact OG-CE2 3.05Å; S184-Y422 PolarHBondContact OG-OH 3.49Å |
| 185 | T | 88.6 | Confident | 93.5 | Very high | 15 Ų | 15 | 9.4 Ų | 9.4 | 9% | 0.092 | 4% | 0.044 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -140.8 | 40.5 | -167.4 | 53.8 | 0 | 0 | 0 | 0 | 112.1 | F182 R188 D195 P415 | F182-T185 PolarHBondContact O-N 2.8Å; T185-R188 WeakPolarHBondContact O-CD 3.27Å; T185-R188 VanDerWaalsContact O-CG 3.27Å; T185-R188 WeakPolarHBondContact O-CG 2.95Å; T185-R188 PolarHBondContact O-NE 2.78Å; T185-R188 VanDerWaalsContact O-NE 3.09Å; T185-D195 WeakPolarHBondContact CA-OD2 3.23Å; T185-P415 HydrophobicContact CG2-CB 4.02Å |
| 186 | S | 90.8 | Very high | 93.6 | Very high | 12 Ų | 12 | 7.2 Ų | 7.2 | 8% | 0.084 | 3% | 0.034 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | -3.3 | -176 | -71.4 | 0 | 0 | 0 | 0 | 114 | G161 Q181 F182 R188 R189 D195 | G161-S186 WeakPolarHBondContact CA-O 3.37Å; Q181-S186 VanDerWaalsContact O-CB 3.25Å; Q181-S186 WeakPolarHBondContact O-CB 3.39Å; F182-S186 WeakPolarHBondContact O-CA 3.46Å; F182-S186 WeakPolarHBondContact O-CB 3.45Å; F182-S186 PolarHBondContact O-N 2.89Å; S186-R188 PolarHBondContact O-N 2.83Å; S186-R189 WeakPolarHBondContact O-CB 3.3Å; S186-R189 PolarHBondContact O-N 2.97Å; S186-D195 PolarHBondContact N-OD2 2.92Å |
| 187 | A | 96 | Very high | 93.6 | Very high | 0 Ų | 0 | 4.7 Ų | 4.7 | 0% | 0 | 2% | 0.024 | C | C | . | . | G | 310 helix | trans | -62.4 | -34.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111 | F182 R189 A190 F191 D195 | F182-A187 HydrophobicContact CB-CB 3.95Å; F182-A187 HydrophobicContact CD1-CB 4.38Å; F182-A187 HydrophobicContact CD2-CB 3.69Å; F182-A187 HydrophobicContact CE2-CB 4.29Å; F182-A187 HydrophobicContact CG-CB 3.76Å; A187-R189 PolarHBondContact O-N 3.45Å; A187-A190 PolarHBondContact O-N 2.84Å; A187-F191 HydrophobicContact CB-CE1 4.24Å; A187-F191 HydrophobicContact CB-CZ 4.18Å; A187-F191 PolarHBondContact O-N 3.49Å; A187-F191 VanDerWaalsContact O-N 3.14Å; A187-D195 VanDerWaalsContact CB-OD1 3.28Å; A187-D195 WeakPolarHBondContact CB-OD1 3.12Å; A187-D195 PolarHBondContact N-OD2 3.17Å |
| 188 | R | 96 | Very high | 93.6 | Very high | 3 Ų | 3 | 5.7 Ų | 5.7 | 1% | 0.011 | 3% | 0.033 | C | C | . | . | G | 310 helix | trans | -57.3 | -12.4 | 172 | 70.7 | -171.5 | 68.8 | -169 | -1.2 | 115.1 | H82 A83 A84 T185 S186 D195 | H82-R188 HydrophobicContact CB-CB 3.64Å; H82-R188 HydrophobicContact CB-CG 4.49Å; H82-R188 PolarHBondContact ND1-NH1 3.13Å; A83-R188 CarbonylContact C-O 3.46Å; A83-R188 WeakPolarHBondContact CA-O 3.28Å; A84-R188 HydrophobicContact CB-CG 4.17Å; A84-R188 PolarHBondContact N-O 2.89Å; T185-R188 WeakPolarHBondContact O-CD 3.27Å; T185-R188 VanDerWaalsContact O-CG 3.27Å; T185-R188 WeakPolarHBondContact O-CG 2.95Å; T185-R188 PolarHBondContact O-NE 2.78Å; T185-R188 VanDerWaalsContact O-NE 3.09Å; S186-R188 PolarHBondContact O-N 2.83Å; R188-D195 HydrophobicContact CB-CB 4.07Å; R188-D195 IonicContact CZ-OD2 2.71Å; R188-D195 PolarHBondContact N-OD2 2.89Å; R188-D195 VanDerWaalsContact N-OD2 3.13Å; R188-D195 IonicContact NE-OD2 3.02Å; R188-D195 PolarHBondContact NE-OD2 2.88Å; R188-D195 PolarHBondContact NH2-O 3.43Å; R188-D195 IonicContact NH2-OD2 2.83Å |
| 189 | R | 95.4 | Very high | 93.6 | Very high | 16 Ų | 16 | 6.4 Ų | 6.4 | 6% | 0.06 | 4% | 0.036 | C | C | . | . | G | 310 helix | trans | -95.9 | 1.1 | 174.6 | -61.7 | 171.2 | 178.5 | -80.3 | -8.7 | 113.9 | A84 E85 M130 S186 A187 | A84-R189 HydrophobicContact CB-CG 3.89Å; A84-R189 VanDerWaalsContact O-CA 3.27Å; A84-R189 WeakPolarHBondContact O-CA 3.09Å; E85-R189 IonicContact OE1-CZ 3.29Å; E85-R189 IonicContact OE1-NH1 2.72Å; E85-R189 PolarHBondContact OE1-NH1 3.46Å; E85-R189 IonicContact OE2-NH1 2.8Å; E85-R189 PolarHBondContact OE2-NH1 2.98Å; M130-R189 PolarHBondContact SD-NH2 3.41Å; M130-R189 VanDerWaalsContact SD-NH2 3.43Å; S186-R189 WeakPolarHBondContact O-CB 3.3Å; S186-R189 PolarHBondContact O-N 2.97Å; A187-R189 PolarHBondContact O-N 3.45Å |
| 190 | A | 98 | Very high | 93.7 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 4% | 0.039 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | -35.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F62 F151 F162 F182 A187 F249 | F62-A190 WeakPolarHBondContact CE2-O 3.4Å; F151-A190 VanDerWaalsContact CE2-O 3.3Å; F151-A190 WeakPolarHBondContact CE2-O 3.46Å; F162-A190 HydrophobicContact CB-CB 3.85Å; F182-A190 HydrophobicContact CE1-CB 3.43Å; F182-A190 VanDerWaalsContact CE1-CB 3.43Å; F182-A190 HydrophobicContact CE2-CB 4.43Å; F182-A190 HydrophobicContact CZ-CB 3.36Å; A187-A190 PolarHBondContact O-N 2.84Å; A190-F249 HydrophobicContact CB-CZ 4.35Å |
| 191 | F | 98.6 | Very high | 94 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.039 | C | C | . | . | S | Bend | trans | -157.3 | 148.7 | 176 | 56.6 | -81 | 0 | 0 | 0 | 110.3 | Y49 L51 F151 F182 A187 C193 F203 V247 | Y49-F191 HydrophobicContact CD1-CE2 4.42Å; Y49-F191 HydrophobicContact CE1-CE2 4.38Å; L51-F191 HydrophobicContact CD1-CB 3.99Å; L51-F191 HydrophobicContact CD1-CG 4.26Å; L51-F191 HydrophobicContact CD2-CD1 3.8Å; L51-F191 HydrophobicContact CD2-CD2 4.3Å; L51-F191 HydrophobicContact CD2-CE1 4.08Å; L51-F191 HydrophobicContact CD2-CG 3.95Å; L51-F191 HydrophobicContact CD2-CZ 4.44Å; F151-F191 HydrophobicContact CE1-CB 4.23Å; F151-F191 HydrophobicContact CE2-CB 3.97Å; F151-F191 HydrophobicContact CZ-CB 3.47Å; F151-F191 VanDerWaalsContact CZ-CB 3.47Å; F182-F191 AromaticContact CE2-CE1 3.78Å; F182-F191 HydrophobicContact CE2-CE1 3.78Å; F182-F191 HydrophobicContact CZ-CE1 4.17Å; A187-F191 HydrophobicContact CB-CE1 4.24Å; A187-F191 HydrophobicContact CB-CZ 4.18Å; A187-F191 PolarHBondContact O-N 3.49Å; A187-F191 VanDerWaalsContact O-N 3.14Å; F191-C193 HydrophobicContact CD2-CB 3.69Å; F191-C193 HydrophobicContact CE2-CB 3.46Å; F191-C193 VanDerWaalsContact CE2-CB 3.46Å; F191-C193 HydrophobicContact CZ-CB 4.46Å; F191-C193 PolarHBondContact O-N 3.04Å; F191-C193 PolarHBondContact O-SG 3.43Å; F191-F203 HydrophobicContact CE2-CE1 4.09Å; F191-F203 HydrophobicContact CZ-CE1 4.13Å; F191-V247 HydrophobicContact CE1-CG1 4.42Å; F191-V247 HydrophobicContact CZ-CG2 4.33Å |
| 192 | P | 98.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.041 | C | C | . | . | trans | -60.4 | 126.1 | 172 | -20 | 30.9 | 0 | 0 | 0 | 112.3 | E66 F81 H82 A83 I86 I88 L149 F151 | E66-P192 VanDerWaalsContact OE1-CD 3.26Å; E66-P192 WeakPolarHBondContact OE1-CD 3.21Å; F81-P192 HydrophobicContact CD2-CB 3.77Å; F81-P192 HydrophobicContact CE2-CB 3.62Å; H82-P192 WeakPolarHBondContact O-CA 3.42Å; A83-P192 HydrophobicContact CB-CB 4.44Å; I86-P192 HydrophobicContact CG2-CG 4.11Å; I88-P192 HydrophobicContact CD1-CB 4.14Å; I88-P192 HydrophobicContact CD1-CG 3.7Å; I88-P192 HydrophobicContact CG1-CG 3.89Å; L149-P192 HydrophobicContact CD1-CB 3.78Å; L149-P192 HydrophobicContact CD1-CG 4.11Å; F151-P192 HydrophobicContact CD1-CG 4.06Å; F151-P192 HydrophobicContact CE1-CG 4.46Å; F151-P192 HydrophobicContact CG-CG 4.3Å | ||
| 193 | C | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.041 | C | C | . | . | B | Isolated β-bridge | trans | -161.2 | 168.6 | -175.3 | 53.5 | 0 | 0 | 0 | 0 | 114.1 | Y49 H82 F191 D195 T244 | Y49-C193 HydrophobicContact CE1-CB 3.8Å; H82-C193 WeakPolarHBondContact CA-O 3.34Å; H82-C193 VanDerWaalsContact CB-O 3.29Å; H82-C193 WeakPolarHBondContact CB-O 3.35Å; H82-C193 PolarHBondContact N-O 2.74Å; H82-C193 PolarHBondContact O-N 2.94Å; F191-C193 HydrophobicContact CD2-CB 3.69Å; F191-C193 HydrophobicContact CE2-CB 3.46Å; F191-C193 VanDerWaalsContact CE2-CB 3.46Å; F191-C193 HydrophobicContact CZ-CB 4.46Å; F191-C193 PolarHBondContact O-N 3.04Å; F191-C193 PolarHBondContact O-SG 3.43Å; C193-D195 PolarHBondContact O-N 2.89Å; C193-T244 HydrophobicContact CB-CG2 3.99Å |
| 194 | W | 97.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 8.3 Ų | 8.3 | 1% | 0.008 | 5% | 0.047 | C | C | . | . | trans | -80.1 | 73.6 | 165.6 | -77.9 | -107.9 | 0 | 0 | 0 | 109.7 | L40 A44 P46 Y49 I68 L70 F81 L147 E196 Y199 | L40-W194 HydrophobicContact CD1-CB 4.3Å; L40-W194 HydrophobicContact CD1-CG 3.95Å; A44-W194 HydrophobicContact CB-CZ2 3.98Å; A44-W194 PolarHBondContact O-NE1 3.42Å; A44-W194 VanDerWaalsContact O-NE1 3.11Å; P46-W194 HydrophobicContact CB-CE3 4.24Å; P46-W194 HydrophobicContact CG-CB 3.9Å; P46-W194 HydrophobicContact CG-CD2 4.3Å; P46-W194 HydrophobicContact CG-CE3 4.38Å; P46-W194 HydrophobicContact CG-CG 4.11Å; Y49-W194 PolarHBondContact OH-N 2.98Å; Y49-W194 VanDerWaalsContact OH-N 3.1Å; I68-W194 HydrophobicContact CD1-CZ3 4.16Å; I68-W194 HydrophobicContact CG2-CZ3 4.29Å; L70-W194 HydrophobicContact CD1-CH2 3.8Å; L70-W194 HydrophobicContact CD1-CZ3 4.47Å; L70-W194 HydrophobicContact CD2-CE3 4.22Å; L70-W194 HydrophobicContact CD2-CH2 3.44Å; L70-W194 VanDerWaalsContact CD2-CH2 3.44Å; L70-W194 HydrophobicContact CD2-CZ2 4.1Å; L70-W194 HydrophobicContact CD2-CZ3 3.5Å; L70-W194 HydrophobicContact CG-CH2 4.29Å; F81-W194 HydrophobicContact CB-CD2 4.29Å; F81-W194 HydrophobicContact CB-CE3 4.19Å; F81-W194 HydrophobicContact CB-CH2 4.3Å; F81-W194 HydrophobicContact CB-CZ2 4.42Å; F81-W194 HydrophobicContact CB-CZ3 4.18Å; F81-W194 HydrophobicContact CD1-CH2 4.32Å; L147-W194 HydrophobicContact CD2-CH2 4.36Å; L147-W194 HydrophobicContact CD2-CZ3 4.48Å; W194-E196 PolarHBondContact O-N 2.9Å; W194-Y199 HydrophobicContact CB-CD2 3.69Å; W194-Y199 HydrophobicContact CB-CE2 4.48Å; W194-Y199 HydrophobicContact CB-CG 3.78Å; W194-Y199 AromaticContact CD1-CD2 3.77Å; W194-Y199 AromaticContact CD1-CE2 3.78Å; W194-Y199 AromaticContact CD1-CG 3.98Å; W194-Y199 AromaticContact CD1-CZ 3.93Å; W194-Y199 HydrophobicContact CG-CD2 4.16Å; W194-Y199 HydrophobicContact CG-CG 4.24Å | ||
| 195 | D | 95.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 8.2 Ų | 8.2 | 1% | 0.005 | 5% | 0.046 | C | C | . | . | trans | -74.5 | 55.3 | -177.7 | -162.2 | 28.6 | 0 | 0 | 0 | 115 | H82 T185 S186 A187 R188 C193 T244 | H82-D195 HydrophobicContact CB-CB 3.82Å; H82-D195 PolarHBondContact CD2-N 3.28Å; T185-D195 WeakPolarHBondContact CA-OD2 3.23Å; S186-D195 PolarHBondContact N-OD2 2.92Å; A187-D195 VanDerWaalsContact CB-OD1 3.28Å; A187-D195 WeakPolarHBondContact CB-OD1 3.12Å; A187-D195 PolarHBondContact N-OD2 3.17Å; R188-D195 HydrophobicContact CB-CB 4.07Å; R188-D195 IonicContact CZ-OD2 2.71Å; R188-D195 PolarHBondContact N-OD2 2.89Å; R188-D195 VanDerWaalsContact N-OD2 3.13Å; R188-D195 IonicContact NE-OD2 3.02Å; R188-D195 PolarHBondContact NE-OD2 2.88Å; R188-D195 PolarHBondContact NH2-O 3.43Å; R188-D195 IonicContact NH2-OD2 2.83Å; C193-D195 PolarHBondContact O-N 2.89Å; D195-T244 WeakPolarHBondContact CA-OG1 3.42Å; D195-T244 WeakPolarHBondContact OD1-CB 3.45Å; D195-T244 PolarHBondContact OD1-OG1 2.83Å | ||
| 196 | E | 94.7 | Very high | 96.8 | Very high | 5 Ų | 5 | 8.5 Ų | 8.5 | 2% | 0.023 | 5% | 0.048 | C | C | . | . | S | Bend | trans | -131.7 | 144.4 | 172.7 | -63.1 | 177.7 | -162.1 | 0 | 0 | 110 | L40 H82 W194 A198 Y199 W356 | L40-E196 WeakPolarHBondContact CG-OE1 3.47Å; L40-E196 PolarHBondContact N-OE1 2.95Å; H82-E196 IonicContact CE1-OE1 2.69Å; H82-E196 WeakPolarHBondContact NE2-CG 3.21Å; H82-E196 IonicContact NE2-OE1 3.92Å; H82-E196 PolarHBondContact NE2-OE1 2.79Å; W194-E196 PolarHBondContact O-N 2.9Å; E196-A198 VanDerWaalsContact C-N 3.26Å; E196-A198 PolarHBondContact O-N 2.81Å; E196-Y199 HydrophobicContact CB-CD2 3.76Å; E196-Y199 HydrophobicContact CB-CE2 4.1Å; E196-Y199 HydrophobicContact CG-CD2 4.39Å; E196-Y199 HydrophobicContact CG-CE2 4.37Å; E196-Y199 PolarHBondContact O-N 2.93Å; E196-Y199 WeakPolarHBondContact OE2-CE2 3.49Å; E196-W356 HydrophobicContact CB-CZ3 3.8Å; E196-W356 HydrophobicContact CG-CH2 4.15Å; E196-W356 HydrophobicContact CG-CZ3 3.72Å |
| 197 | P | 94.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 8 Ų | 8 | 1% | 0.006 | 4% | 0.044 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -31.6 | -173.4 | 23.9 | -34.4 | 0 | 0 | 0 | 113.6 | Y199 S243 T353 W356 W357 N461 | P197-Y199 PolarHBondContact O-N 2.91Å; P197-S243 PolarHBondContact O-OG 2.84Å; P197-T353 HydrophobicContact CB-CG2 3.91Å; P197-W356 HydrophobicContact CG-CE3 4.03Å; P197-W356 HydrophobicContact CG-CZ3 4.47Å; P197-W357 HydrophobicContact CG-CZ2 4.19Å; P197-N461 PolarHBondContact O-ND2 3.12Å |
| 198 | A | 95.3 | Very high | 97.3 | Very high | 23 Ų | 23 | 8.5 Ų | 8.5 | 19% | 0.19 | 5% | 0.047 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -23.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | E196 E355 N461 | E196-A198 VanDerWaalsContact C-N 3.26Å; E196-A198 PolarHBondContact O-N 2.81Å; A198-E355 WeakPolarHBondContact CB-O 3.45Å; A198-N461 PolarHBondContact O-OD1 3Å |
| 199 | Y | 96.7 | Very high | 97.4 | Very high | 15 Ų | 15 | 8.3 Ų | 8.3 | 6% | 0.059 | 5% | 0.047 | C | C | . | . | trans | -93 | 115.3 | 176.1 | -60.5 | -65 | 0 | 0 | 0 | 109.3 | L40 I45 W194 E196 P197 | L40-Y199 HydrophobicContact CB-CE2 4.04Å; L40-Y199 HydrophobicContact CD1-CE2 4.39Å; L40-Y199 PolarHBondContact O-OH 2.94Å; I45-Y199 HydrophobicContact CG2-CD1 4.17Å; I45-Y199 HydrophobicContact CG2-CE1 3.96Å; W194-Y199 HydrophobicContact CB-CD2 3.69Å; W194-Y199 HydrophobicContact CB-CE2 4.48Å; W194-Y199 HydrophobicContact CB-CG 3.78Å; W194-Y199 AromaticContact CD1-CD2 3.77Å; W194-Y199 AromaticContact CD1-CE2 3.78Å; W194-Y199 AromaticContact CD1-CG 3.98Å; W194-Y199 AromaticContact CD1-CZ 3.93Å; W194-Y199 HydrophobicContact CG-CD2 4.16Å; W194-Y199 HydrophobicContact CG-CG 4.24Å; E196-Y199 HydrophobicContact CB-CD2 3.76Å; E196-Y199 HydrophobicContact CB-CE2 4.1Å; E196-Y199 HydrophobicContact CG-CD2 4.39Å; E196-Y199 HydrophobicContact CG-CE2 4.37Å; E196-Y199 PolarHBondContact O-N 2.93Å; E196-Y199 WeakPolarHBondContact OE2-CE2 3.49Å; P197-Y199 PolarHBondContact O-N 2.91Å | ||
| 200 | K | 96.8 | Very high | 97.4 | Very high | 22 Ų | 22 | 8.9 Ų | 8.9 | 10% | 0.096 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 138.3 | 177.8 | -54.8 | -177.5 | 69 | 134.1 | 0 | 110.1 | I241 M242 N350 T353 Y459 N460 N461 | K200-I241 HydrophobicContact CB-CG2 3.42Å; K200-I241 VanDerWaalsContact CB-CG2 3.42Å; K200-M242 CarbonylContact C-O 3.56Å; K200-M242 VanDerWaalsContact CA-O 3.31Å; K200-M242 WeakPolarHBondContact CA-O 3.31Å; K200-N350 PolarHBondContact NZ-O 3Å; K200-T353 PolarHBondContact NZ-OG1 3.19Å; K200-Y459 WeakPolarHBondContact CE-O 3.34Å; K200-N460 PolarHBondContact NZ-O 3.05Å; K200-N461 VanDerWaalsContact CD-OD1 3.32Å; K200-N461 WeakPolarHBondContact CD-OD1 3.44Å |
| 201 | A | 97.9 | Very high | 97.4 | Very high | 2 Ų | 2 | 13.6 Ų | 13.6 | 2% | 0.017 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 164.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | P46 Y49 F203 I241 M242 | P46-A201 HydrophobicContact CB-CB 4.17Å; P46-A201 HydrophobicContact CG-CB 4.4Å; Y49-A201 HydrophobicContact CD2-CB 3.6Å; Y49-A201 HydrophobicContact CE2-CB 3.51Å; A201-F203 HydrophobicContact CB-CE2 4.39Å; A201-F203 WeakPolarHBondContact O-CD2 3.35Å; A201-F203 WeakPolarHBondContact O-CE2 3.48Å; A201-I241 WeakPolarHBondContact O-CA 3.38Å; A201-M242 PolarHBondContact N-O 3.15Å; A201-M242 PolarHBondContact O-N 3.36Å; A201-M242 VanDerWaalsContact O-O 3.09Å |
| 202 | S | 98 | Very high | 97.1 | Very high | 16 Ų | 16 | 20.1 Ų | 20.1 | 11% | 0.112 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 155.6 | 167.8 | 57.6 | 0 | 0 | 0 | 0 | 111.1 | Q47 H48 Y49 T239 | Q47-S202 PolarHBondContact O-N 2.98Å; Q47-S202 VanDerWaalsContact O-N 3.12Å; Q47-S202 PolarHBondContact O-OG 2.99Å; H48-S202 CarbonylContact C-O 3.42Å; H48-S202 VanDerWaalsContact CA-O 3.3Å; H48-S202 WeakPolarHBondContact CA-O 3.27Å; H48-S202 PolarHBondContact ND1-O 2.72Å; H48-S202 VanDerWaalsContact ND1-O 3.16Å; H48-S202 PolarHBondContact ND1-OG 3Å; Y49-S202 PolarHBondContact N-O 2.82Å; S202-T239 WeakPolarHBondContact CB-O 3.28Å |
| 203 | F | 98.1 | Very high | 97 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 0% | 0.004 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 128.8 | -177.3 | -64 | -102.2 | 0 | 0 | 0 | 111.2 | Y49 F191 A201 I205 R238 T239 M242 T244 V247 | Y49-F203 HydrophobicContact CD1-CE1 4.22Å; Y49-F203 AromaticContact CD2-CD1 3.94Å; Y49-F203 HydrophobicContact CD2-CD1 3.94Å; Y49-F203 AromaticContact CD2-CE1 3.38Å; Y49-F203 HydrophobicContact CD2-CE1 3.38Å; Y49-F203 HydrophobicContact CD2-CE2 4.25Å; Y49-F203 AromaticContact CD2-CZ 3.56Å; Y49-F203 HydrophobicContact CD2-CZ 3.56Å; Y49-F203 AromaticContact CE2-CE1 3.97Å; Y49-F203 HydrophobicContact CE2-CE1 3.97Å; Y49-F203 AromaticContact CE2-CZ 3.84Å; Y49-F203 HydrophobicContact CE2-CZ 3.84Å; Y49-F203 AromaticContact CG-CD1 3.87Å; Y49-F203 HydrophobicContact CG-CD1 3.87Å; Y49-F203 AromaticContact CG-CE1 3.54Å; Y49-F203 HydrophobicContact CG-CE1 3.54Å; Y49-F203 HydrophobicContact CG-CZ 4.21Å; Y49-F203 CarbonylContact O-C 3.49Å; Y49-F203 WeakPolarHBondContact O-CA 3.23Å; F191-F203 HydrophobicContact CE2-CE1 4.09Å; F191-F203 HydrophobicContact CZ-CE1 4.13Å; A201-F203 HydrophobicContact CB-CE2 4.39Å; A201-F203 WeakPolarHBondContact O-CD2 3.35Å; A201-F203 WeakPolarHBondContact O-CE2 3.48Å; F203-I205 HydrophobicContact CB-CD1 4.22Å; F203-I205 HydrophobicContact CB-CG1 4.06Å; F203-R238 WeakPolarHBondContact O-CA 3.5Å; F203-T239 HydrophobicContact CB-CG2 3.92Å; F203-T239 PolarHBondContact N-OG1 2.85Å; F203-T239 PolarHBondContact O-N 3.39Å; F203-M242 HydrophobicContact CD2-CE 3.59Å; F203-M242 HydrophobicContact CD2-CG 3.94Å; F203-M242 HydrophobicContact CE2-CE 4.05Å; F203-M242 HydrophobicContact CE2-CG 3.85Å; F203-M242 HydrophobicContact CG-CE 4.18Å; F203-T244 HydrophobicContact CZ-CG2 4.19Å; F203-V247 HydrophobicContact CD1-CG2 3.86Å; F203-V247 HydrophobicContact CD2-CG2 4.14Å; F203-V247 HydrophobicContact CE1-CG2 3.64Å; F203-V247 HydrophobicContact CE2-CG2 3.92Å; F203-V247 HydrophobicContact CG-CG2 4.13Å; F203-V247 HydrophobicContact CZ-CG2 3.67Å |
| 204 | D | 98.4 | Very high | 97 | Very high | 37 Ų | 37 | 23.2 Ų | 23.2 | 20% | 0.198 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 108.9 | 162.1 | -71 | -10.3 | 0 | 0 | 0 | 107.1 | H48 Y49 T50 L51 R238 | H48-D204 PolarHBondContact CE1-N 3.47Å; H48-D204 IonicContact CE1-OD1 3.58Å; H48-D204 PolarHBondContact CE1-OD1 3.41Å; H48-D204 IonicContact CE1-OD2 3.31Å; H48-D204 PolarHBondContact CE1-OD2 2.95Å; H48-D204 IonicContact NE2-OD2 2.79Å; H48-D204 PolarHBondContact NE2-OD2 3.16Å; Y49-D204 PolarHBondContact O-N 3.39Å; T50-D204 HydrophobicContact CG2-CB 4.48Å; L51-D204 PolarHBondContact N-O 2.85Å; D204-R238 VanDerWaalsContact OD1-CA 3.3Å; D204-R238 WeakPolarHBondContact OD1-CA 3.47Å; D204-R238 WeakPolarHBondContact OD1-CB 3.34Å; D204-R238 VanDerWaalsContact OD1-CG 3.27Å; D204-R238 WeakPolarHBondContact OD1-CG 3.33Å; D204-R238 IonicContact OD1-CZ 2.78Å; D204-R238 IonicContact OD1-NE 3.52Å; D204-R238 PolarHBondContact OD1-NE 3.2Å; D204-R238 IonicContact OD1-NH2 3.89Å; D204-R238 IonicContact OD2-CZ 3.78Å; D204-R238 IonicContact OD2-NE 3.46Å; D204-R238 PolarHBondContact OD2-NE 3.41Å; D204-R238 IonicContact OD2-NH2 3.92Å; D204-R238 PolarHBondContact OD2-NH2 3.38Å |
| 205 | I | 98.3 | Very high | 97 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.01 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 133.9 | -175.3 | -61.3 | 171.7 | 0 | 0 | 0 | 109.7 | L51 F203 L207 S217 Y236 V247 | L51-I205 CarbonylContact O-C 3.53Å; L51-I205 WeakPolarHBondContact O-CA 3.41Å; F203-I205 HydrophobicContact CB-CD1 4.22Å; F203-I205 HydrophobicContact CB-CG1 4.06Å; I205-L207 HydrophobicContact CG2-CD2 4.33Å; I205-L207 HydrophobicContact CG2-CG 4.36Å; I205-S217 WeakPolarHBondContact CD1-OG 3.43Å; I205-Y236 HydrophobicContact CB-CD2 4.43Å; I205-Y236 HydrophobicContact CG2-CD2 4.29Å; I205-Y236 WeakPolarHBondContact O-CD2 3.38Å; I205-Y236 PolarHBondContact O-N 2.88Å; I205-V247 HydrophobicContact CD1-CG1 3.83Å |
| 206 | T | 98.7 | Very high | 97 | Very high | 21 Ų | 21 | 23.8 Ų | 23.8 | 13% | 0.129 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 128.5 | 172.8 | -58.2 | 0 | 0 | 0 | 0 | 109.9 | L51 K52 L53 T233 V234 | L51-T206 PolarHBondContact O-N 3.18Å; K52-T206 WeakPolarHBondContact CA-O 3.35Å; K52-T206 HydrophobicContact CD-CG2 4.3Å; K52-T206 HydrophobicContact CG-CG2 4.05Å; L53-T206 PolarHBondContact N-O 2.94Å; T206-T233 HydrophobicContact CG2-CG2 3.4Å; T206-T233 VanDerWaalsContact CG2-CG2 3.4Å; T206-V234 CarbonylContact C-O 3.56Å; T206-V234 WeakPolarHBondContact CA-O 3.46Å |
| 207 | L | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 126.8 | 176.4 | -61.3 | 177.4 | 0 | 0 | 0 | 110 | L53 I205 V209 A215 T233 V234 Y236 F249 V251 | L53-L207 HydrophobicContact CB-CD2 4.03Å; L53-L207 WeakPolarHBondContact O-CA 3.21Å; I205-L207 HydrophobicContact CG2-CD2 4.33Å; I205-L207 HydrophobicContact CG2-CG 4.36Å; L207-V209 HydrophobicContact CB-CG1 4.05Å; L207-A215 HydrophobicContact CB-CB 4.43Å; L207-A215 HydrophobicContact CD1-CB 4.12Å; L207-T233 WeakPolarHBondContact O-CA 3.48Å; L207-V234 PolarHBondContact N-O 2.85Å; L207-V234 PolarHBondContact O-N 3.06Å; L207-Y236 HydrophobicContact CB-CE2 4.37Å; L207-Y236 HydrophobicContact CD1-CE2 3.82Å; L207-Y236 HydrophobicContact CG-CE2 3.95Å; L207-F249 HydrophobicContact CD1-CB 3.85Å; L207-F249 HydrophobicContact CD2-CB 4.29Å; L207-F249 HydrophobicContact CD2-CD2 4.4Å; L207-F249 HydrophobicContact CD2-CG 4.3Å; L207-V251 HydrophobicContact CD1-CG2 4.32Å |
| 208 | V | 98.4 | Very high | 96.9 | Very high | 11 Ų | 11 | 23.6 Ų | 23.6 | 7% | 0.067 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 113.7 | 170 | -174.7 | 0 | 0 | 0 | 0 | 107.6 | K52 L53 Q54 P55 W231 K232 T233 | K52-V208 HydrophobicContact CD-CG2 4.45Å; K52-V208 HydrophobicContact CG-CG2 4.4Å; L53-V208 PolarHBondContact O-N 2.96Å; Q54-V208 HydrophobicContact CB-CB 4.02Å; Q54-V208 HydrophobicContact CG-CB 3.94Å; Q54-V208 HydrophobicContact CG-CG1 4.12Å; P55-V208 WeakPolarHBondContact CD-O 3.44Å; V208-W231 HydrophobicContact CG1-CB 4.42Å; V208-W231 HydrophobicContact CG1-CD2 4.48Å; V208-W231 HydrophobicContact CG1-CE3 3.87Å; V208-K232 WeakPolarHBondContact CA-O 3.36Å; V208-T233 HydrophobicContact CG2-CG2 4.3Å |
| 209 | V | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 159.9 | -171 | -57.6 | 0 | 0 | 0 | 0 | 111.2 | L207 K211 A215 W231 K232 V251 | L207-V209 HydrophobicContact CB-CG1 4.05Å; V209-K211 PolarHBondContact O-N 2.91Å; V209-A215 HydrophobicContact CG1-CB 4Å; V209-A215 HydrophobicContact CG2-CB 3.93Å; V209-W231 CarbonylContact O-C 3.49Å; V209-W231 WeakPolarHBondContact O-CA 3.31Å; V209-K232 HydrophobicContact CG2-CD 4.33Å; V209-K232 HydrophobicContact CG2-CG 3.68Å; V209-K232 PolarHBondContact N-O 2.63Å; V209-K232 PolarHBondContact O-N 2.81Å; V209-V251 HydrophobicContact CB-CG1 3.89Å; V209-V251 HydrophobicContact CG1-CB 4.24Å; V209-V251 HydrophobicContact CG1-CG1 3.58Å; V209-V251 HydrophobicContact CG1-CG2 3.57Å |
| 210 | P | 97.3 | Very high | 96.5 | Very high | 28 Ų | 28 | 25.1 Ų | 25.1 | 18% | 0.182 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 140.9 | 170.6 | -24.9 | 34.8 | 0 | 0 | 0 | 111.2 | E212 K213 W231 | P210-E212 PolarHBondContact O-N 3.2Å; P210-E212 VanDerWaalsContact O-N 3.09Å; P210-K213 HydrophobicContact CB-CD 4.48Å; P210-K213 HydrophobicContact CB-CG 4.18Å; P210-K213 HydrophobicContact CG-CD 4.15Å; P210-K213 HydrophobicContact CG-CG 4.38Å; P210-K213 PolarHBondContact O-N 3.02Å; P210-W231 HydrophobicContact CG-CH2 4.34Å; P210-W231 HydrophobicContact CG-CZ3 4.21Å |
| 211 | K | 96.1 | Very high | 96.3 | Very high | 98 Ų | 98 | 27.4 Ų | 27.4 | 43% | 0.426 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -36.4 | -171.8 | 64.8 | 174.4 | 176.4 | 122.2 | 0 | 113.7 | V209 G230 K232 | V209-K211 PolarHBondContact O-N 2.91Å; K211-G230 WeakPolarHBondContact CB-O 3.26Å; K211-G230 WeakPolarHBondContact CG-O 3.05Å; K211-G230 PolarHBondContact N-O 2.9Å; K211-K232 WeakPolarHBondContact O-CE 3.42Å; K211-K232 PolarHBondContact O-NZ 3.05Å |
| 212 | E | 94.1 | Very high | 96.1 | Very high | 137 Ų | 137 | 31.5 Ų | 31.5 | 64% | 0.64 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -16.7 | -177.1 | -53 | -55.8 | 158.9 | 0 | 0 | 113.3 | P210 | P210-E212 PolarHBondContact O-N 3.2Å; P210-E212 VanDerWaalsContact O-N 3.09Å |
| 213 | K | 96.4 | Very high | 96 | Very high | 30 Ų | 30 | 33.2 Ų | 33.2 | 13% | 0.13 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -81.8 | 141.2 | -177.3 | -69.6 | -162.2 | 173.6 | -63.8 | 0 | 111.8 | F57 P210 K232 V251 D253 | F57-K213 HydrophobicContact CD2-CD 4.07Å; F57-K213 HydrophobicContact CE2-CD 3.58Å; F57-K213 HydrophobicContact CZ-CD 4.14Å; P210-K213 HydrophobicContact CB-CD 4.48Å; P210-K213 HydrophobicContact CB-CG 4.18Å; P210-K213 HydrophobicContact CG-CD 4.15Å; P210-K213 HydrophobicContact CG-CG 4.38Å; P210-K213 PolarHBondContact O-N 3.02Å; K213-K232 WeakPolarHBondContact O-CE 3.19Å; K213-K232 PolarHBondContact O-NZ 2.86Å; K213-V251 HydrophobicContact CB-CG1 4.05Å; K213-V251 HydrophobicContact CD-CG1 4.06Å; K213-D253 VanDerWaalsContact NZ-CG 3.31Å; K213-D253 IonicContact NZ-OD1 2.87Å; K213-D253 PolarHBondContact NZ-OD1 3.24Å; K213-D253 IonicContact NZ-OD2 3.75Å; K213-D253 PolarHBondContact NZ-OD2 2.78Å |
| 214 | T | 96.8 | Very high | 95.9 | Very high | 36 Ų | 36 | 36.4 Ų | 36.4 | 22% | 0.221 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 133.4 | 166.9 | -64.3 | 0 | 0 | 0 | 0 | 109 | L216 V251 G252 L254 Y270 | T214-L216 HydrophobicContact CG2-CD1 4.45Å; T214-L216 HydrophobicContact CG2-CD2 3.66Å; T214-L216 HydrophobicContact CG2-CG 3.95Å; T214-V251 VanDerWaalsContact O-CA 3.32Å; T214-V251 WeakPolarHBondContact O-CA 3.4Å; T214-G252 WeakPolarHBondContact CA-O 3.13Å; T214-G252 VanDerWaalsContact CB-O 3.25Å; T214-G252 WeakPolarHBondContact CB-O 3.35Å; T214-G252 PolarHBondContact N-O 2.88Å; T214-G252 PolarHBondContact O-N 2.85Å; T214-L254 HydrophobicContact CG2-CB 4.13Å; T214-L254 HydrophobicContact CG2-CD1 4.19Å; T214-L254 PolarHBondContact OG1-O 2.9Å; T214-Y270 HydrophobicContact CG2-CD1 4.32Å; T214-Y270 HydrophobicContact CG2-CE1 3.83Å |
| 215 | A | 97 | Very high | 95.9 | Very high | 14 Ų | 14 | 39 Ų | 39 | 12% | 0.116 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 131.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | L207 V209 V234 Y236 I250 | L207-A215 HydrophobicContact CB-CB 4.43Å; L207-A215 HydrophobicContact CD1-CB 4.12Å; V209-A215 HydrophobicContact CG1-CB 4Å; V209-A215 HydrophobicContact CG2-CB 3.93Å; A215-V234 HydrophobicContact CB-CB 4.46Å; A215-V234 HydrophobicContact CB-CG2 4.15Å; A215-Y236 WeakPolarHBondContact CB-OH 3.42Å; A215-Y236 PolarHBondContact O-OH 3.18Å; A215-I250 CarbonylContact C-O 3.55Å; A215-I250 WeakPolarHBondContact CA-O 3.25Å |
| 216 | L | 95.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 147.3 | -179.5 | -50.2 | 174.1 | 0 | 0 | 0 | 109.6 | F2 L4 T214 Y236 F249 I250 L254 Y270 L312 | F2-L216 HydrophobicContact CB-CD1 4.19Å; F2-L216 HydrophobicContact CD1-CD2 3.93Å; F2-L216 HydrophobicContact CD2-CB 3.88Å; F2-L216 HydrophobicContact CD2-CD1 4.43Å; F2-L216 HydrophobicContact CD2-CD2 3.65Å; F2-L216 HydrophobicContact CD2-CG 4.19Å; F2-L216 HydrophobicContact CE1-CD2 3.76Å; F2-L216 HydrophobicContact CE2-CB 4.09Å; F2-L216 HydrophobicContact CE2-CD2 3.42Å; F2-L216 VanDerWaalsContact CE2-CD2 3.42Å; F2-L216 HydrophobicContact CE2-CG 4.3Å; F2-L216 HydrophobicContact CG-CD1 4.24Å; F2-L216 HydrophobicContact CG-CD2 3.84Å; F2-L216 HydrophobicContact CG-CG 4.42Å; F2-L216 HydrophobicContact CZ-CD2 3.43Å; F2-L216 VanDerWaalsContact CZ-CD2 3.43Å; L4-L216 HydrophobicContact CD1-CD1 3.31Å; T214-L216 HydrophobicContact CG2-CD1 4.45Å; T214-L216 HydrophobicContact CG2-CD2 3.66Å; T214-L216 HydrophobicContact CG2-CG 3.95Å; L216-Y236 WeakPolarHBondContact CA-OH 3.36Å; L216-Y236 PolarHBondContact N-OH 2.9Å; L216-F249 CarbonylContact O-C 3.57Å; L216-F249 WeakPolarHBondContact O-CA 3.31Å; L216-F249 VanDerWaalsContact O-CB 3.29Å; L216-F249 WeakPolarHBondContact O-CB 3.43Å; L216-I250 HydrophobicContact CB-CB 4.27Å; L216-I250 HydrophobicContact CD1-CB 4.37Å; L216-I250 PolarHBondContact N-O 2.89Å; L216-I250 PolarHBondContact O-N 2.75Å; L216-L254 HydrophobicContact CD1-CD1 4.27Å; L216-Y270 HydrophobicContact CD1-CD1 3.92Å; L216-Y270 HydrophobicContact CD1-CE1 4.2Å; L216-Y270 HydrophobicContact CD1-CG 4.16Å; L216-Y270 HydrophobicContact CD2-CD1 4.28Å; L216-Y270 HydrophobicContact CD2-CE1 3.72Å; L216-L312 HydrophobicContact CB-CD1 4.21Å; L216-L312 HydrophobicContact CB-CD2 4.16Å; L216-L312 HydrophobicContact CD1-CD1 4.4Å |
| 217 | S | 95.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.007 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 175.4 | 172.1 | -176.2 | 0 | 0 | 0 | 0 | 108.8 | I205 M219 Y236 A248 | I205-S217 WeakPolarHBondContact CD1-OG 3.43Å; S217-M219 PolarHBondContact O-N 2.66Å; S217-M219 VanDerWaalsContact O-N 3.12Å; S217-Y236 VanDerWaalsContact CB-CD2 3.46Å; S217-A248 WeakPolarHBondContact CA-O 3.36Å; S217-A248 PolarHBondContact OG-O 2.86Å |
| 218 | N | 93.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -45.7 | -40.1 | 178.3 | -68.5 | 93 | 0 | 0 | 0 | 113.6 | T239 L246 A248 W310 G311 | N218-T239 HydrophobicContact CB-CG2 4.14Å; N218-L246 PolarHBondContact ND2-O 2.77Å; N218-A248 PolarHBondContact N-O 2.96Å; N218-A248 PolarHBondContact OD1-N 2.98Å; N218-A248 PolarHBondContact OD1-O 3.09Å; N218-W310 VanDerWaalsContact CB-O 3.28Å; N218-W310 WeakPolarHBondContact CB-O 3.44Å; N218-W310 PolarHBondContact ND2-N 3.49Å; N218-W310 PolarHBondContact ND2-O 3.26Å; N218-G311 CarbonylContact O-C 3.51Å; N218-G311 VanDerWaalsContact O-CA 3.31Å; N218-G311 WeakPolarHBondContact O-CA 3.5Å |
| 219 | M | 93 | Very high | 94.5 | Very high | 12 Ų | 12 | 58.3 Ų | 58.3 | 6% | 0.059 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -110.7 | 176.7 | -168.4 | -61.1 | -60 | -70 | 0 | 0 | 114.6 | S217 Y236 A237 R238 T239 L303 P304 K305 | S217-M219 PolarHBondContact O-N 2.66Å; S217-M219 VanDerWaalsContact O-N 3.12Å; M219-Y236 WeakPolarHBondContact O-CD1 3.24Å; M219-A237 HydrophobicContact CB-CB 4.12Å; M219-A237 WeakPolarHBondContact CB-O 3.17Å; M219-A237 VanDerWaalsContact CG-O 3.23Å; M219-A237 WeakPolarHBondContact CG-O 3.41Å; M219-R238 WeakPolarHBondContact CE-O 3.02Å; M219-T239 HydrophobicContact CG-CG2 3.67Å; M219-T239 HydrophobicContact SD-CG2 4.45Å; M219-L303 HydrophobicContact CE-CD2 4.14Å; M219-L303 HydrophobicContact SD-CD1 4.23Å; M219-L303 HydrophobicContact SD-CD2 4.01Å; M219-P304 HydrophobicContact CE-CG 3.73Å; M219-K305 WeakPolarHBondContact O-CE 3.11Å; M219-K305 PolarHBondContact O-NZ 3.19Å |
| 220 | I | 91 | Very high | 94.3 | Very high | 58 Ų | 58 | 59.5 Ų | 59.5 | 30% | 0.297 | 34% | 0.341 | S | S | . | . | trans | -63.8 | 135.9 | 167.4 | 57.6 | 171.8 | 0 | 0 | 0 | 111.7 | V222 Y236 A237 P304 K305 | I220-V222 PolarHBondContact O-N 3.07Å; I220-Y236 CarbonylContact O-C 2.98Å; I220-Y236 VanDerWaalsContact O-CA 3.25Å; I220-Y236 WeakPolarHBondContact O-CA 3.33Å; I220-A237 HydrophobicContact CG1-CB 3.88Å; I220-A237 PolarHBondContact O-N 3.35Å; I220-P304 HydrophobicContact CD1-CB 4.33Å; I220-P304 HydrophobicContact CD1-CG 4.39Å; I220-P304 HydrophobicContact CG1-CB 4.38Å; I220-P304 HydrophobicContact CG1-CG 4.04Å; I220-P304 HydrophobicContact CG2-CB 3.76Å; I220-P304 HydrophobicContact CG2-CG 3.99Å; I220-K305 VanDerWaalsContact CA-NZ 3.35Å; I220-K305 HydrophobicContact CG2-CD 4.1Å; I220-K305 HydrophobicContact CG2-CG 3.81Å | ||
| 221 | D | 91.1 | Very high | 94.3 | Very high | 70 Ų | 70 | 60.1 Ų | 60.1 | 37% | 0.374 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 125.2 | 165.1 | 45.7 | -58.3 | 0 | 0 | 0 | 108.1 | V234 T235 Y236 R266 K305 | D221-V234 HydrophobicContact CB-CG1 3.84Å; D221-T235 CarbonylContact C-O 3.59Å; D221-T235 WeakPolarHBondContact CA-O 3.44Å; D221-Y236 HydrophobicContact CB-CD1 4.02Å; D221-Y236 HydrophobicContact CB-CE1 3.98Å; D221-R266 IonicContact OD1-NH2 3.33Å; D221-K305 IonicContact OD1-NZ 4Å; D221-K305 PolarHBondContact OD1-NZ 3.37Å |
| 222 | V | 93.8 | Very high | 94.4 | Very high | 89 Ų | 89 | 57 Ų | 57 | 54% | 0.539 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | -24.2 | -179.6 | -66.2 | 0 | 0 | 0 | 0 | 111.9 | I220 T235 A237 | I220-V222 PolarHBondContact O-N 3.07Å; V222-T235 HydrophobicContact CG2-CG2 4Å; V222-T235 WeakPolarHBondContact CG2-O 3.12Å; V222-T235 PolarHBondContact N-O 3.31Å; V222-A237 HydrophobicContact CG1-CB 3.68Å |
| 223 | S | 96.1 | Very high | 94.6 | Very high | 51 Ų | 51 | 52.2 Ų | 52.2 | 36% | 0.357 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 147.2 | 171.6 | 66.1 | 0 | 0 | 0 | 0 | 111.3 | T235 | S223-T235 PolarHBondContact N-O 3.02Å; S223-T235 PolarHBondContact O-N 3.21Å; S223-T235 WeakPolarHBondContact OG-CB 3.32Å |
| 224 | T | 97.3 | Very high | 94.7 | Very high | 69 Ų | 69 | 51 Ų | 51 | 42% | 0.423 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 127.1 | 166.8 | -65 | 0 | 0 | 0 | 0 | 107.6 | K232 T233 V234 | T224-K232 HydrophobicContact CG2-CB 4.29Å; T224-K232 HydrophobicContact CG2-CD 4.04Å; T224-T233 CarbonylContact C-O 3.25Å; T224-T233 VanDerWaalsContact CA-O 3.31Å; T224-T233 WeakPolarHBondContact CA-O 3.41Å; T224-V234 HydrophobicContact CG2-CG2 4.17Å |
| 225 | T | 96.9 | Very high | 94.8 | Very high | 91 Ų | 91 | 51.2 Ų | 51.2 | 56% | 0.558 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 121.6 | 176.7 | -53.2 | 0 | 0 | 0 | 0 | 109 | K232 T233 | T225-K232 CarbonylContact O-C 3.59Å; T225-K232 VanDerWaalsContact O-CA 3.3Å; T225-K232 WeakPolarHBondContact O-CA 3.29Å; T225-T233 PolarHBondContact N-O 2.92Å; T225-T233 PolarHBondContact O-N 3.06Å |
| 226 | E | 95.3 | Very high | 94.7 | Very high | 143 Ų | 143 | 50.8 Ų | 50.8 | 67% | 0.668 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 142.5 | 176.1 | -62.2 | -176.6 | -177.7 | 0 | 0 | 110.3 | K232 | E226-K232 HydrophobicContact CG-CB 4.14Å |
| 227 | S | 91.3 | Very high | 94.7 | Very high | 48 Ų | 48 | 51.9 Ų | 51.9 | 34% | 0.336 | 31% | 0.307 | S | S | . | . | trans | -111.2 | 152.4 | 173.7 | 46.5 | 0 | 0 | 0 | 0 | 110.3 | D229 G230 W231 | S227-D229 WeakPolarHBondContact CB-OD1 3.45Å; S227-D229 PolarHBondContact O-N 2.87Å; S227-D229 VanDerWaalsContact O-N 3.13Å; S227-D229 PolarHBondContact OG-OD1 2.85Å; S227-G230 PolarHBondContact O-N 2.74Å; S227-W231 PolarHBondContact N-O 3.36Å; S227-W231 WeakPolarHBondContact OG-CB 3.42Å; S227-W231 PolarHBondContact OG-O 3.01Å; S227-W231 VanDerWaalsContact OG-O 3.08Å | ||
| 228 | S | 86.7 | Confident | 94.7 | Very high | 139 Ų | 139 | 58 Ų | 58 | 97% | 0.972 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -12 | -176.9 | 49.2 | 0 | 0 | 0 | 0 | 114.1 | G230 | S228-G230 VanDerWaalsContact C-N 3.29Å; S228-G230 PolarHBondContact O-N 3.23Å |
| 229 | D | 91.1 | Very high | 94.8 | Very high | 109 Ų | 109 | 58.4 Ų | 58.4 | 58% | 0.583 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 8.8 | 178.7 | 62.4 | -2.2 | 0 | 0 | 0 | 113.7 | S227 W231 | S227-D229 WeakPolarHBondContact CB-OD1 3.45Å; S227-D229 PolarHBondContact O-N 2.87Å; S227-D229 VanDerWaalsContact O-N 3.13Å; S227-D229 PolarHBondContact OG-OD1 2.85Å; D229-W231 PolarHBondContact OD1-N 2.92Å |
| 230 | G | 94.8 | Very high | 94.9 | Very high | 25 Ų | 25 | 59.2 Ų | 59.2 | 26% | 0.258 | 34% | 0.339 | S | S | . | . | S | Bend | trans | 84.9 | 11.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | K211 S227 S228 | K211-G230 WeakPolarHBondContact CB-O 3.26Å; K211-G230 WeakPolarHBondContact CG-O 3.05Å; K211-G230 PolarHBondContact N-O 2.9Å; S227-G230 PolarHBondContact O-N 2.74Å; S228-G230 VanDerWaalsContact C-N 3.29Å; S228-G230 PolarHBondContact O-N 3.23Å |
| 231 | W | 97.5 | Very high | 95.1 | Very high | 42 Ų | 42 | 60.2 Ų | 60.2 | 16% | 0.159 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 164 | 173.7 | -66.2 | 79.7 | 0 | 0 | 0 | 111.8 | Q54 F56 V208 V209 P210 S227 D229 | Q54-W231 HydrophobicContact CG-CE3 4.43Å; Q54-W231 HydrophobicContact CG-CH2 4.25Å; Q54-W231 HydrophobicContact CG-CZ3 3.84Å; F56-W231 AromaticContact CD1-CH2 3.78Å; F56-W231 HydrophobicContact CD1-CH2 3.78Å; F56-W231 HydrophobicContact CD1-CZ2 4.09Å; F56-W231 AromaticContact CE1-CH2 3.93Å; F56-W231 HydrophobicContact CE1-CH2 3.93Å; F56-W231 HydrophobicContact CE1-CZ2 4.12Å; V208-W231 HydrophobicContact CG1-CB 4.42Å; V208-W231 HydrophobicContact CG1-CD2 4.48Å; V208-W231 HydrophobicContact CG1-CE3 3.87Å; V209-W231 CarbonylContact O-C 3.49Å; V209-W231 WeakPolarHBondContact O-CA 3.31Å; P210-W231 HydrophobicContact CG-CH2 4.34Å; P210-W231 HydrophobicContact CG-CZ3 4.21Å; S227-W231 PolarHBondContact N-O 3.36Å; S227-W231 WeakPolarHBondContact OG-CB 3.42Å; S227-W231 PolarHBondContact OG-O 3.01Å; S227-W231 VanDerWaalsContact OG-O 3.08Å; D229-W231 PolarHBondContact OD1-N 2.92Å |
| 232 | K | 97.9 | Very high | 95.3 | Very high | 33 Ų | 33 | 57 Ų | 57 | 14% | 0.143 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 146.4 | 165 | 68.7 | -176.4 | 175.4 | -160.3 | 0 | 110.4 | V208 V209 K211 K213 T224 T225 E226 V234 | V208-K232 WeakPolarHBondContact CA-O 3.36Å; V209-K232 HydrophobicContact CG2-CD 4.33Å; V209-K232 HydrophobicContact CG2-CG 3.68Å; V209-K232 PolarHBondContact N-O 2.63Å; V209-K232 PolarHBondContact O-N 2.81Å; K211-K232 WeakPolarHBondContact O-CE 3.42Å; K211-K232 PolarHBondContact O-NZ 3.05Å; K213-K232 WeakPolarHBondContact O-CE 3.19Å; K213-K232 PolarHBondContact O-NZ 2.86Å; T224-K232 HydrophobicContact CG2-CB 4.29Å; T224-K232 HydrophobicContact CG2-CD 4.04Å; T225-K232 CarbonylContact O-C 3.59Å; T225-K232 VanDerWaalsContact O-CA 3.3Å; T225-K232 WeakPolarHBondContact O-CA 3.29Å; E226-K232 HydrophobicContact CG-CB 4.14Å; K232-V234 HydrophobicContact CD-CG2 4.3Å; K232-V234 HydrophobicContact CG-CG2 4.21Å |
| 233 | T | 98.3 | Very high | 95.4 | Very high | 35 Ų | 35 | 52.7 Ų | 52.7 | 22% | 0.215 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 119.4 | 172.5 | -60.4 | 0 | 0 | 0 | 0 | 108.3 | T206 L207 V208 T224 T225 | T206-T233 HydrophobicContact CG2-CG2 3.4Å; T206-T233 VanDerWaalsContact CG2-CG2 3.4Å; L207-T233 WeakPolarHBondContact O-CA 3.48Å; V208-T233 HydrophobicContact CG2-CG2 4.3Å; T224-T233 CarbonylContact C-O 3.25Å; T224-T233 VanDerWaalsContact CA-O 3.31Å; T224-T233 WeakPolarHBondContact CA-O 3.41Å; T225-T233 PolarHBondContact N-O 2.92Å; T225-T233 PolarHBondContact O-N 3.06Å |
| 234 | V | 98.4 | Very high | 95.4 | Very high | 6 Ų | 6 | 50.4 Ų | 50.4 | 4% | 0.036 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 119.7 | 176.5 | -172.5 | 0 | 0 | 0 | 0 | 108.5 | T206 L207 A215 D221 T224 K232 Y236 | T206-V234 CarbonylContact C-O 3.56Å; T206-V234 WeakPolarHBondContact CA-O 3.46Å; L207-V234 PolarHBondContact N-O 2.85Å; L207-V234 PolarHBondContact O-N 3.06Å; A215-V234 HydrophobicContact CB-CB 4.46Å; A215-V234 HydrophobicContact CB-CG2 4.15Å; D221-V234 HydrophobicContact CB-CG1 3.84Å; T224-V234 HydrophobicContact CG2-CG2 4.17Å; K232-V234 HydrophobicContact CD-CG2 4.3Å; K232-V234 HydrophobicContact CG-CG2 4.21Å; V234-Y236 HydrophobicContact CB-CE2 4.31Å; V234-Y236 HydrophobicContact CG1-CE1 4Å; V234-Y236 HydrophobicContact CG1-CE2 3.95Å |
| 235 | T | 98.4 | Very high | 95.2 | Very high | 40 Ų | 40 | 47.3 Ų | 47.3 | 25% | 0.245 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 133.4 | 177.6 | -56.3 | 0 | 0 | 0 | 0 | 109.2 | D221 V222 S223 | D221-T235 CarbonylContact C-O 3.59Å; D221-T235 WeakPolarHBondContact CA-O 3.44Å; V222-T235 HydrophobicContact CG2-CG2 4Å; V222-T235 WeakPolarHBondContact CG2-O 3.12Å; V222-T235 PolarHBondContact N-O 3.31Å; S223-T235 PolarHBondContact N-O 3.02Å; S223-T235 PolarHBondContact O-N 3.21Å; S223-T235 WeakPolarHBondContact OG-CB 3.32Å |
| 236 | Y | 96.5 | Very high | 95.1 | Very high | 5 Ų | 5 | 43 Ų | 43 | 2% | 0.02 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 156.7 | 179.9 | -57.9 | -87.5 | 0 | 0 | 0 | 111.8 | I205 L207 A215 L216 S217 M219 I220 D221 V234 | I205-Y236 HydrophobicContact CB-CD2 4.43Å; I205-Y236 HydrophobicContact CG2-CD2 4.29Å; I205-Y236 WeakPolarHBondContact O-CD2 3.38Å; I205-Y236 PolarHBondContact O-N 2.88Å; L207-Y236 HydrophobicContact CB-CE2 4.37Å; L207-Y236 HydrophobicContact CD1-CE2 3.82Å; L207-Y236 HydrophobicContact CG-CE2 3.95Å; A215-Y236 WeakPolarHBondContact CB-OH 3.42Å; A215-Y236 PolarHBondContact O-OH 3.18Å; L216-Y236 WeakPolarHBondContact CA-OH 3.36Å; L216-Y236 PolarHBondContact N-OH 2.9Å; S217-Y236 VanDerWaalsContact CB-CD2 3.46Å; M219-Y236 WeakPolarHBondContact O-CD1 3.24Å; I220-Y236 CarbonylContact O-C 2.98Å; I220-Y236 VanDerWaalsContact O-CA 3.25Å; I220-Y236 WeakPolarHBondContact O-CA 3.33Å; D221-Y236 HydrophobicContact CB-CD1 4.02Å; D221-Y236 HydrophobicContact CB-CE1 3.98Å; V234-Y236 HydrophobicContact CB-CE2 4.31Å; V234-Y236 HydrophobicContact CG1-CE1 4Å; V234-Y236 HydrophobicContact CG1-CE2 3.95Å |
| 237 | A | 95.1 | Very high | 95.1 | Very high | 24 Ų | 24 | 36.2 Ų | 36.2 | 20% | 0.198 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -62.4 | 152.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | M219 I220 V222 T239 | M219-A237 HydrophobicContact CB-CB 4.12Å; M219-A237 WeakPolarHBondContact CB-O 3.17Å; M219-A237 VanDerWaalsContact CG-O 3.23Å; M219-A237 WeakPolarHBondContact CG-O 3.41Å; I220-A237 HydrophobicContact CG1-CB 3.88Å; I220-A237 PolarHBondContact O-N 3.35Å; V222-A237 HydrophobicContact CG1-CB 3.68Å; A237-T239 PolarHBondContact O-N 3.04Å |
| 238 | R | 95.8 | Very high | 95.3 | Very high | 130 Ų | 130 | 34 Ų | 34 | 49% | 0.491 | 19% | 0.191 | S | C | . | . | P | Polyproline II helix | trans | -58.4 | 132.5 | 176.1 | -174.5 | 164.1 | -71.3 | -166.8 | -4.1 | 111.6 | H48 F203 D204 M219 | H48-R238 PolarHBondContact CE1-NE 3.16Å; H48-R238 VanDerWaalsContact CE1-NE 3.3Å; H48-R238 PolarHBondContact CE1-NH2 3.26Å; H48-R238 PolarHBondContact NE2-NH2 3.1Å; F203-R238 WeakPolarHBondContact O-CA 3.5Å; D204-R238 VanDerWaalsContact OD1-CA 3.3Å; D204-R238 WeakPolarHBondContact OD1-CA 3.47Å; D204-R238 WeakPolarHBondContact OD1-CB 3.34Å; D204-R238 VanDerWaalsContact OD1-CG 3.27Å; D204-R238 WeakPolarHBondContact OD1-CG 3.33Å; D204-R238 IonicContact OD1-CZ 2.78Å; D204-R238 IonicContact OD1-NE 3.52Å; D204-R238 PolarHBondContact OD1-NE 3.2Å; D204-R238 IonicContact OD1-NH2 3.89Å; D204-R238 IonicContact OD2-CZ 3.78Å; D204-R238 IonicContact OD2-NE 3.46Å; D204-R238 PolarHBondContact OD2-NE 3.41Å; D204-R238 IonicContact OD2-NH2 3.92Å; D204-R238 PolarHBondContact OD2-NH2 3.38Å; M219-R238 WeakPolarHBondContact CE-O 3.02Å |
| 239 | T | 95.2 | Very high | 95.7 | Very high | 8 Ų | 8 | 27.3 Ų | 27.3 | 5% | 0.049 | 15% | 0.145 | C | C | . | . | P | Polyproline II helix | trans | -72.1 | 159.2 | 172.5 | 72.7 | 0 | 0 | 0 | 0 | 111.3 | S202 F203 N218 M219 A237 M242 | S202-T239 WeakPolarHBondContact CB-O 3.28Å; F203-T239 HydrophobicContact CB-CG2 3.92Å; F203-T239 PolarHBondContact N-OG1 2.85Å; F203-T239 PolarHBondContact O-N 3.39Å; N218-T239 HydrophobicContact CB-CG2 4.14Å; M219-T239 HydrophobicContact CG-CG2 3.67Å; M219-T239 HydrophobicContact SD-CG2 4.45Å; A237-T239 PolarHBondContact O-N 3.04Å; T239-M242 HydrophobicContact CG2-CE 3.66Å; T239-M242 HydrophobicContact CG2-SD 4.14Å |
| 240 | P | 93.9 | Very high | 95.9 | Very high | 29 Ų | 29 | 22.2 Ų | 22.2 | 19% | 0.188 | 12% | 0.117 | C | C | . | . | P | Polyproline II helix | trans | -61.5 | 172.2 | 158.8 | -13.7 | 27.8 | 0 | 0 | 0 | 111.8 | M242 L303 W310 Y459 | P240-M242 PolarHBondContact O-N 2.98Å; P240-L303 HydrophobicContact CG-CD2 3.44Å; P240-L303 VanDerWaalsContact CG-CD2 3.44Å; P240-W310 HydrophobicContact CB-CE3 4.43Å; P240-W310 HydrophobicContact CB-CH2 3.85Å; P240-W310 HydrophobicContact CB-CZ2 4.3Å; P240-W310 HydrophobicContact CB-CZ3 3.92Å; P240-W310 HydrophobicContact CG-CE3 4.46Å; P240-W310 HydrophobicContact CG-CH2 4.23Å; P240-W310 HydrophobicContact CG-CZ2 4.21Å; P240-W310 HydrophobicContact CG-CZ3 4.35Å; P240-Y459 HydrophobicContact CB-CD1 4.07Å; P240-Y459 HydrophobicContact CB-CE1 3.6Å; P240-Y459 HydrophobicContact CG-CE1 4.35Å |
| 241 | I | 95.2 | Very high | 96.1 | Very high | 79 Ų | 79 | 21 Ų | 21 | 41% | 0.405 | 11% | 0.105 | S | C | . | . | S | Bend | trans | -66.5 | 116.7 | 174.2 | -66 | 172.8 | 0 | 0 | 0 | 109.5 | K200 A201 W310 | K200-I241 HydrophobicContact CB-CG2 3.42Å; K200-I241 VanDerWaalsContact CB-CG2 3.42Å; A201-I241 WeakPolarHBondContact O-CA 3.38Å; I241-W310 WeakPolarHBondContact O-CZ3 3.36Å |
| 242 | M | 95.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 158.9 | -172 | 75.4 | -173.2 | -168.9 | 0 | 0 | 112.4 | K200 A201 F203 T239 P240 L246 V247 W310 | K200-M242 CarbonylContact C-O 3.56Å; K200-M242 VanDerWaalsContact CA-O 3.31Å; K200-M242 WeakPolarHBondContact CA-O 3.31Å; A201-M242 PolarHBondContact N-O 3.15Å; A201-M242 PolarHBondContact O-N 3.36Å; A201-M242 VanDerWaalsContact O-O 3.09Å; F203-M242 HydrophobicContact CD2-CE 3.59Å; F203-M242 HydrophobicContact CD2-CG 3.94Å; F203-M242 HydrophobicContact CE2-CE 4.05Å; F203-M242 HydrophobicContact CE2-CG 3.85Å; F203-M242 HydrophobicContact CG-CE 4.18Å; T239-M242 HydrophobicContact CG2-CE 3.66Å; T239-M242 HydrophobicContact CG2-SD 4.14Å; P240-M242 PolarHBondContact O-N 2.98Å; M242-L246 HydrophobicContact CB-CD1 4.13Å; M242-L246 HydrophobicContact SD-CB 4.35Å; M242-V247 HydrophobicContact CE-CB 4.35Å; M242-V247 HydrophobicContact CE-CG2 3.58Å; M242-W310 HydrophobicContact CB-CE3 3.39Å; M242-W310 HydrophobicContact CB-CZ3 3.5Å; M242-W310 VanDerWaalsContact CB-CZ3 3.5Å; M242-W310 HydrophobicContact CG-CE3 4.26Å; M242-W310 HydrophobicContact SD-CB 4.19Å; M242-W310 HydrophobicContact SD-CE3 3.87Å |
| 243 | S | 96 | Very high | 95.9 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 154.4 | 174.4 | -50.1 | 0 | 0 | 0 | 0 | 111.2 | P197 Y245 L246 | P197-S243 PolarHBondContact O-OG 2.84Å; S243-Y245 VanDerWaalsContact C-N 3.28Å; S243-Y245 PolarHBondContact O-N 2.67Å; S243-L246 WeakPolarHBondContact O-CB 3.48Å; S243-L246 PolarHBondContact O-N 2.94Å; S243-L246 VanDerWaalsContact O-N 3.16Å |
| 244 | T | 96.8 | Very high | 95.8 | Very high | 3 Ų | 3 | 17.8 Ų | 17.8 | 2% | 0.018 | 9% | 0.091 | C | C | . | . | G | 310 helix | trans | -58.6 | -33.7 | -177.1 | 50.6 | 0 | 0 | 0 | 0 | 114.1 | C193 D195 F203 L246 V247 | C193-T244 HydrophobicContact CB-CG2 3.99Å; D195-T244 WeakPolarHBondContact CA-OG1 3.42Å; D195-T244 WeakPolarHBondContact OD1-CB 3.45Å; D195-T244 PolarHBondContact OD1-OG1 2.83Å; F203-T244 HydrophobicContact CZ-CG2 4.19Å; T244-L246 PolarHBondContact O-N 3.31Å; T244-V247 WeakPolarHBondContact O-CB 3.34Å; T244-V247 PolarHBondContact O-N 3.36Å |
| 245 | Y | 92.8 | Very high | 95.6 | Very high | 3 Ų | 3 | 21.1 Ų | 21.1 | 1% | 0.012 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -63.4 | -15.4 | -179.2 | 85.5 | -93.2 | 0 | 0 | 0 | 113.4 | E183 S243 G349 T353 W357 | E183-Y245 HydrophobicContact CB-CD2 4Å; E183-Y245 HydrophobicContact CG-CD2 4Å; S243-Y245 VanDerWaalsContact C-N 3.28Å; S243-Y245 PolarHBondContact O-N 2.67Å; Y245-G349 WeakPolarHBondContact OH-CA 3.33Å; Y245-G349 PolarHBondContact OH-O 3.19Å; Y245-T353 HydrophobicContact CE1-CG2 3.84Å; Y245-W357 HydrophobicContact CD1-CH2 4.38Å; Y245-W357 HydrophobicContact CG-CH2 4.39Å |
| 246 | L | 94.3 | Very high | 95.5 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.01 | 11% | 0.114 | C | C | . | . | G | 310 helix | trans | -91.7 | -7.2 | 178.7 | -60.7 | 173.1 | 0 | 0 | 0 | 113.9 | N218 M242 S243 T244 N309 W310 N350 | N218-L246 PolarHBondContact ND2-O 2.77Å; M242-L246 HydrophobicContact CB-CD1 4.13Å; M242-L246 HydrophobicContact SD-CB 4.35Å; S243-L246 WeakPolarHBondContact O-CB 3.48Å; S243-L246 PolarHBondContact O-N 2.94Å; S243-L246 VanDerWaalsContact O-N 3.16Å; T244-L246 PolarHBondContact O-N 3.31Å; L246-N309 CarbonylContact O-C 3.52Å; L246-N309 WeakPolarHBondContact O-CA 3.41Å; L246-N309 VanDerWaalsContact O-CB 3.28Å; L246-N309 WeakPolarHBondContact O-CB 3.43Å; L246-W310 PolarHBondContact O-N 3.11Å; L246-N350 HydrophobicContact CD1-CB 4.11Å; L246-N350 WeakPolarHBondContact CD2-OD1 3.33Å |
| 247 | V | 96 | Very high | 95.5 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -69.7 | 134.1 | 175.9 | 178.4 | 0 | 0 | 0 | 0 | 108.5 | F182 F191 F203 I205 M242 T244 F249 | F182-V247 HydrophobicContact CD2-CB 3.88Å; F182-V247 HydrophobicContact CD2-CG1 4.44Å; F182-V247 WeakPolarHBondContact CD2-O 3.31Å; F182-V247 HydrophobicContact CE2-CB 3.77Å; F182-V247 HydrophobicContact CE2-CG1 3.82Å; F182-V247 VanDerWaalsContact CE2-O 3.28Å; F182-V247 WeakPolarHBondContact CE2-O 3.43Å; F191-V247 HydrophobicContact CE1-CG1 4.42Å; F191-V247 HydrophobicContact CZ-CG2 4.33Å; F203-V247 HydrophobicContact CD1-CG2 3.86Å; F203-V247 HydrophobicContact CD2-CG2 4.14Å; F203-V247 HydrophobicContact CE1-CG2 3.64Å; F203-V247 HydrophobicContact CE2-CG2 3.92Å; F203-V247 HydrophobicContact CG-CG2 4.13Å; F203-V247 HydrophobicContact CZ-CG2 3.67Å; I205-V247 HydrophobicContact CD1-CG1 3.83Å; M242-V247 HydrophobicContact CE-CB 4.35Å; M242-V247 HydrophobicContact CE-CG2 3.58Å; T244-V247 WeakPolarHBondContact O-CB 3.34Å; T244-V247 PolarHBondContact O-N 3.36Å; V247-F249 HydrophobicContact CG1-CD1 4.11Å; V247-F249 HydrophobicContact CG1-CE1 4Å | ||
| 248 | A | 94.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | -145 | 149.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T180 S217 N218 N309 L312 | T180-A248 VanDerWaalsContact OG1-CA 3.26Å; T180-A248 WeakPolarHBondContact OG1-CA 3.25Å; T180-A248 WeakPolarHBondContact OG1-CB 3.47Å; S217-A248 WeakPolarHBondContact CA-O 3.36Å; S217-A248 PolarHBondContact OG-O 2.86Å; N218-A248 PolarHBondContact N-O 2.96Å; N218-A248 PolarHBondContact OD1-N 2.98Å; N218-A248 PolarHBondContact OD1-O 3.09Å; A248-N309 HydrophobicContact CB-CB 3.31Å; A248-N309 VanDerWaalsContact CB-CG 3.43Å; A248-N309 WeakPolarHBondContact CB-ND2 3.34Å; A248-L312 HydrophobicContact CB-CB 4.49Å; A248-L312 HydrophobicContact CB-CD2 3.94Å; A248-L312 HydrophobicContact CB-CG 4.25Å | ||
| 249 | F | 95.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 150 | 171.6 | 40.4 | -93.9 | 0 | 0 | 0 | 111.1 | L53 F162 T180 F182 A190 L207 L216 V247 | L53-F249 HydrophobicContact CD1-CD1 4.38Å; L53-F249 HydrophobicContact CD1-CD2 4.48Å; L53-F249 HydrophobicContact CD1-CE1 3.62Å; L53-F249 HydrophobicContact CD1-CE2 3.72Å; L53-F249 HydrophobicContact CD1-CZ 3.23Å; F162-F249 HydrophobicContact CB-CE2 4.37Å; F162-F249 AromaticContact CD1-CE2 3.74Å; F162-F249 HydrophobicContact CD1-CE2 3.74Å; F162-F249 HydrophobicContact CD1-CZ 4.41Å; F162-F249 HydrophobicContact CD2-CD2 4.14Å; F162-F249 AromaticContact CD2-CE2 3.57Å; F162-F249 HydrophobicContact CD2-CE2 3.57Å; F162-F249 HydrophobicContact CE1-CD2 4.44Å; F162-F249 AromaticContact CE1-CE2 3.75Å; F162-F249 HydrophobicContact CE1-CE2 3.75Å; F162-F249 AromaticContact CE2-CD2 3.77Å; F162-F249 HydrophobicContact CE2-CD2 3.77Å; F162-F249 AromaticContact CE2-CE2 3.56Å; F162-F249 HydrophobicContact CE2-CE2 3.56Å; F162-F249 AromaticContact CG-CE2 3.66Å; F162-F249 HydrophobicContact CG-CE2 3.66Å; F162-F249 HydrophobicContact CG-CZ 4.37Å; F162-F249 AromaticContact CZ-CD2 3.94Å; F162-F249 HydrophobicContact CZ-CD2 3.94Å; F162-F249 AromaticContact CZ-CE2 3.65Å; F162-F249 HydrophobicContact CZ-CE2 3.65Å; T180-F249 HydrophobicContact CG2-CD1 4.14Å; T180-F249 HydrophobicContact CG2-CD2 3.48Å; T180-F249 VanDerWaalsContact CG2-CD2 3.48Å; T180-F249 HydrophobicContact CG2-CE1 3.97Å; T180-F249 HydrophobicContact CG2-CE2 3.28Å; T180-F249 HydrophobicContact CG2-CG 3.91Å; T180-F249 HydrophobicContact CG2-CZ 3.54Å; T180-F249 PolarHBondContact OG1-N 3.08Å; T180-F249 VanDerWaalsContact OG1-N 3.14Å; T180-F249 PolarHBondContact OG1-O 2.8Å; F182-F249 HydrophobicContact CE2-CE1 4.05Å; F182-F249 HydrophobicContact CE2-CZ 4.4Å; F182-F249 AromaticContact CZ-CE1 3.83Å; F182-F249 HydrophobicContact CZ-CE1 3.83Å; F182-F249 AromaticContact CZ-CZ 3.73Å; F182-F249 HydrophobicContact CZ-CZ 3.73Å; A190-F249 HydrophobicContact CB-CZ 4.35Å; L207-F249 HydrophobicContact CD1-CB 3.85Å; L207-F249 HydrophobicContact CD2-CB 4.29Å; L207-F249 HydrophobicContact CD2-CD2 4.4Å; L207-F249 HydrophobicContact CD2-CG 4.3Å; L216-F249 CarbonylContact O-C 3.57Å; L216-F249 WeakPolarHBondContact O-CA 3.31Å; L216-F249 VanDerWaalsContact O-CB 3.29Å; L216-F249 WeakPolarHBondContact O-CB 3.43Å; V247-F249 HydrophobicContact CG1-CD1 4.11Å; V247-F249 HydrophobicContact CG1-CE1 4Å |
| 250 | I | 95.8 | Very high | 95.2 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 136.7 | -177.5 | -53.2 | 177.6 | 0 | 0 | 0 | 109 | L4 A178 A215 L216 L254 L312 T314 | L4-I250 HydrophobicContact CB-CD1 3.82Å; L4-I250 HydrophobicContact CD1-CG2 4.34Å; L4-I250 HydrophobicContact CD2-CG2 4.4Å; A178-I250 CarbonylContact O-C 3.46Å; A178-I250 VanDerWaalsContact O-CA 3.31Å; A178-I250 WeakPolarHBondContact O-CA 3.26Å; A215-I250 CarbonylContact C-O 3.55Å; A215-I250 WeakPolarHBondContact CA-O 3.25Å; L216-I250 HydrophobicContact CB-CB 4.27Å; L216-I250 HydrophobicContact CD1-CB 4.37Å; L216-I250 PolarHBondContact N-O 2.89Å; L216-I250 PolarHBondContact O-N 2.75Å; I250-L254 HydrophobicContact CG2-CD1 4.07Å; I250-L312 HydrophobicContact CD1-CD1 3.97Å; I250-L312 HydrophobicContact CD1-CD2 4.42Å; I250-L312 HydrophobicContact CD1-CG 4.39Å; I250-L312 HydrophobicContact CG1-CD2 4.2Å; I250-T314 HydrophobicContact CD1-CG2 3.72Å; I250-T314 HydrophobicContact CG1-CG2 4.38Å |
| 251 | V | 98 | Very high | 94.9 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 120 | 174.7 | -176.2 | 0 | 0 | 0 | 0 | 109.2 | P55 F57 M177 A178 L207 V209 K213 T214 | P55-V251 HydrophobicContact CG-CB 4.39Å; P55-V251 HydrophobicContact CG-CG1 4.47Å; P55-V251 HydrophobicContact CG-CG2 4.03Å; F57-V251 HydrophobicContact CE2-CG1 3.88Å; F57-V251 HydrophobicContact CZ-CB 4.27Å; F57-V251 HydrophobicContact CZ-CG1 4.05Å; M177-V251 CarbonylContact C-O 3.56Å; M177-V251 WeakPolarHBondContact CA-O 3.29Å; M177-V251 WeakPolarHBondContact CB-O 3.29Å; A178-V251 HydrophobicContact CB-CB 4.47Å; A178-V251 PolarHBondContact N-O 2.8Å; A178-V251 PolarHBondContact O-N 2.79Å; L207-V251 HydrophobicContact CD1-CG2 4.32Å; V209-V251 HydrophobicContact CB-CG1 3.89Å; V209-V251 HydrophobicContact CG1-CB 4.24Å; V209-V251 HydrophobicContact CG1-CG1 3.58Å; V209-V251 HydrophobicContact CG1-CG2 3.57Å; K213-V251 HydrophobicContact CB-CG1 4.05Å; K213-V251 HydrophobicContact CD-CG1 4.06Å; T214-V251 VanDerWaalsContact O-CA 3.32Å; T214-V251 WeakPolarHBondContact O-CA 3.4Å |
| 252 | G | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.9 | 178.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | T214 | T214-G252 WeakPolarHBondContact CA-O 3.13Å; T214-G252 VanDerWaalsContact CB-O 3.25Å; T214-G252 WeakPolarHBondContact CB-O 3.35Å; T214-G252 PolarHBondContact N-O 2.88Å; T214-G252 PolarHBondContact O-N 2.85Å |
| 253 | D | 95.4 | Very high | 93.9 | Very high | 34 Ų | 34 | 32.4 Ų | 32.4 | 18% | 0.182 | 17% | 0.171 | C | C | . | . | trans | -90.4 | 110.2 | 177.6 | -34.9 | -67.5 | 0 | 0 | 0 | 108.7 | Y167 H175 K213 P273 | Y167-D253 WeakPolarHBondContact OH-CB 3.33Å; Y167-D253 PolarHBondContact OH-O 3.45Å; H175-D253 IonicContact ND1-OD2 3.72Å; K213-D253 VanDerWaalsContact NZ-CG 3.31Å; K213-D253 IonicContact NZ-OD1 2.87Å; K213-D253 PolarHBondContact NZ-OD1 3.24Å; K213-D253 IonicContact NZ-OD2 3.75Å; K213-D253 PolarHBondContact NZ-OD2 2.78Å; D253-P273 VanDerWaalsContact O-CD 3.29Å; D253-P273 WeakPolarHBondContact O-CD 3.33Å | ||
| 254 | L | 95.3 | Very high | 93.5 | Very high | 8 Ų | 8 | 34.9 Ų | 34.9 | 4% | 0.042 | 20% | 0.196 | C | C | . | . | trans | -148.4 | 128.8 | -158.3 | -58.2 | 159.8 | 0 | 0 | 0 | 111.8 | L4 M177 T214 L216 I250 Y270 T271 | L4-L254 HydrophobicContact CD1-CB 3.93Å; L4-L254 HydrophobicContact CD1-CD1 3.07Å; L4-L254 HydrophobicContact CD1-CD2 3.51Å; L4-L254 HydrophobicContact CD1-CG 3.58Å; L4-L254 HydrophobicContact CD2-CD1 3.93Å; L4-L254 HydrophobicContact CD2-CD2 3.06Å; L4-L254 HydrophobicContact CD2-CG 4.01Å; L4-L254 HydrophobicContact CG-CD1 4.04Å; L4-L254 HydrophobicContact CG-CD2 3.57Å; L4-L254 HydrophobicContact CG-CG 4.23Å; M177-L254 HydrophobicContact CE-CD2 3.83Å; T214-L254 HydrophobicContact CG2-CB 4.13Å; T214-L254 HydrophobicContact CG2-CD1 4.19Å; T214-L254 PolarHBondContact OG1-O 2.9Å; L216-L254 HydrophobicContact CD1-CD1 4.27Å; I250-L254 HydrophobicContact CG2-CD1 4.07Å; L254-Y270 HydrophobicContact CB-CD1 3.92Å; L254-T271 WeakPolarHBondContact CA-O 3.41Å | ||
| 255 | D | 94.5 | Very high | 93 | Very high | 76 Ų | 76 | 35.3 Ų | 35.3 | 41% | 0.406 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 168.4 | 174.1 | -70.2 | -33.8 | 0 | 0 | 0 | 110.5 | Y270 T271 P273 V276 | D255-Y270 CarbonylContact O-C 3.56Å; D255-Y270 WeakPolarHBondContact O-CA 3.4Å; D255-T271 PolarHBondContact N-O 3.41Å; D255-T271 PolarHBondContact O-N 2.82Å; D255-P273 WeakPolarHBondContact OD2-CA 2.94Å; D255-P273 WeakPolarHBondContact OD2-CB 3.45Å; D255-V276 HydrophobicContact CB-CG2 3.37Å |
| 256 | F | 95.5 | Very high | 92.9 | Very high | 80 Ų | 80 | 37.9 Ų | 37.9 | 35% | 0.351 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 157.8 | -179.9 | 65.3 | -91.7 | 0 | 0 | 0 | 114.9 | E258 R268 V269 Y270 V276 | F256-E258 HydrophobicContact CD2-CB 3.96Å; F256-E258 HydrophobicContact CE2-CB 3.89Å; F256-R268 HydrophobicContact CB-CB 4.05Å; F256-R268 HydrophobicContact CD2-CB 3.81Å; F256-R268 HydrophobicContact CD2-CG 3.89Å; F256-R268 HydrophobicContact CE2-CG 4.26Å; F256-R268 HydrophobicContact CG-CB 4.14Å; F256-R268 HydrophobicContact CG-CG 4.47Å; F256-V269 CarbonylContact C-O 3.44Å; F256-V269 WeakPolarHBondContact CA-O 3.49Å; F256-V269 WeakPolarHBondContact CB-O 3.12Å; F256-Y270 HydrophobicContact CB-CD1 4.05Å; F256-Y270 HydrophobicContact CB-CD2 3.5Å; F256-Y270 VanDerWaalsContact CB-CD2 3.5Å; F256-Y270 HydrophobicContact CB-CE1 4.11Å; F256-Y270 HydrophobicContact CB-CE2 3.44Å; F256-Y270 VanDerWaalsContact CB-CE2 3.44Å; F256-Y270 HydrophobicContact CB-CG 3.77Å; F256-Y270 HydrophobicContact CD1-CD1 4.31Å; F256-Y270 AromaticContact CD1-CE1 3.6Å; F256-Y270 HydrophobicContact CD1-CE1 3.6Å; F256-Y270 AromaticContact CD1-CE2 3.81Å; F256-Y270 HydrophobicContact CD1-CE2 3.81Å; F256-Y270 AromaticContact CD1-CZ 3.32Å; F256-Y270 VanDerWaalsContact CD1-OH 3.27Å; F256-Y270 WeakPolarHBondContact CD1-OH 3.34Å; F256-Y270 HydrophobicContact CE1-CE1 4.47Å; F256-Y270 HydrophobicContact CG-CD2 4.25Å; F256-Y270 HydrophobicContact CG-CE1 4.21Å; F256-Y270 AromaticContact CG-CE2 3.66Å; F256-Y270 HydrophobicContact CG-CE2 3.66Å; F256-Y270 AromaticContact CG-CZ 3.72Å; F256-V276 WeakPolarHBondContact O-CG1 3.25Å |
| 257 | V | 96.4 | Very high | 92.7 | Very high | 22 Ų | 22 | 37.8 Ų | 37.8 | 13% | 0.133 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 141.7 | 161.3 | 59.9 | 0 | 0 | 0 | 0 | 109.1 | R268 V269 V276 Q280 L283 | V257-R268 CarbonylContact O-C 3.53Å; V257-R268 WeakPolarHBondContact O-CA 3.41Å; V257-R268 VanDerWaalsContact O-CB 3.26Å; V257-R268 WeakPolarHBondContact O-CB 3.46Å; V257-V269 HydrophobicContact CG1-CB 3.77Å; V257-V269 HydrophobicContact CG1-CG2 4.29Å; V257-V269 PolarHBondContact N-O 3.31Å; V257-V269 PolarHBondContact O-N 2.81Å; V257-V276 HydrophobicContact CB-CG1 3.95Å; V257-Q280 VanDerWaalsContact CG2-OE1 3.24Å; V257-L283 HydrophobicContact CB-CD2 4.36Å; V257-L283 HydrophobicContact CG1-CD2 4.04Å; V257-L283 HydrophobicContact CG2-CD2 3.76Å |
| 258 | E | 94.9 | Very high | 92.6 | Very high | 79 Ų | 79 | 39.6 Ų | 39.6 | 37% | 0.369 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 145.8 | -170.9 | 176 | 174.9 | 109.4 | 0 | 0 | 112.9 | F256 H260 R266 L267 R268 | F256-E258 HydrophobicContact CD2-CB 3.96Å; F256-E258 HydrophobicContact CE2-CB 3.89Å; E258-H260 IonicContact OE1-CE1 3.19Å; E258-H260 PolarHBondContact OE1-CE1 2.81Å; E258-R266 HydrophobicContact CG-CG 4.36Å; E258-R266 WeakPolarHBondContact OE2-CD 3.28Å; E258-L267 CarbonylContact C-O 3.59Å; E258-L267 VanDerWaalsContact CA-O 3.22Å; E258-L267 WeakPolarHBondContact CA-O 3.4Å; E258-L267 WeakPolarHBondContact CG-O 3.47Å; E258-R268 HydrophobicContact CB-CB 4.35Å; E258-R268 HydrophobicContact CB-CG 3.93Å; E258-R268 HydrophobicContact CG-CG 3.94Å; E258-R268 IonicContact OE2-CZ 2.88Å; E258-R268 IonicContact OE2-NE 3.49Å; E258-R268 PolarHBondContact OE2-NE 3.35Å; E258-R268 IonicContact OE2-NH2 3.75Å; E258-R268 PolarHBondContact OE2-NH2 2.99Å |
| 259 | D | 93.8 | Very high | 92.6 | Very high | 53 Ų | 53 | 39.6 Ų | 39.6 | 28% | 0.283 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 176.7 | 167 | -167.8 | 6.3 | 0 | 0 | 0 | 109 | L267 L283 K287 | D259-L267 PolarHBondContact N-O 2.73Å; D259-L267 CarbonylContact O-C 3.35Å; D259-L267 WeakPolarHBondContact O-CA 3.47Å; D259-L267 PolarHBondContact O-N 3.47Å; D259-L283 HydrophobicContact CB-CD1 4.1Å; D259-L283 HydrophobicContact CB-CD2 3.79Å; D259-L283 HydrophobicContact CB-CG 3.92Å; D259-K287 IonicContact OD1-NZ 2.62Å; D259-K287 PolarHBondContact OD1-NZ 3.2Å; D259-K287 WeakPolarHBondContact OD2-CD 3.42Å; D259-K287 IonicContact OD2-NZ 2.75Å; D259-K287 PolarHBondContact OD2-NZ 2.73Å |
| 260 | H | 91.4 | Very high | 92.6 | Very high | 77 Ų | 77 | 40 Ų | 40 | 36% | 0.356 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 145.8 | 175 | -66 | 72.7 | 0 | 0 | 0 | 110.5 | E258 V265 K287 | E258-H260 IonicContact OE1-CE1 3.19Å; E258-H260 PolarHBondContact OE1-CE1 2.81Å; H260-V265 WeakPolarHBondContact CA-O 3.25Å; H260-K287 WeakPolarHBondContact O-CE 3.39Å; H260-K287 PolarHBondContact O-NZ 3.37Å |
| 261 | T | 88.7 | Confident | 92.5 | Very high | 17 Ų | 17 | 39.9 Ų | 39.9 | 10% | 0.104 | 22% | 0.216 | C | C | . | . | trans | -69.2 | 163.3 | 166.1 | 66.5 | 0 | 0 | 0 | 0 | 110.4 | S263 G264 V265 L267 L290 | T261-S263 PolarHBondContact O-N 2.91Å; T261-S263 PolarHBondContact OG1-N 3.5Å; T261-S263 PolarHBondContact OG1-OG 2.94Å; T261-G264 PolarHBondContact O-N 3.49Å; T261-G264 PolarHBondContact OG1-N 3.4Å; T261-V265 HydrophobicContact CG2-CB 3.95Å; T261-V265 PolarHBondContact N-O 3.16Å; T261-V265 VanDerWaalsContact OG1-CB 3.25Å; T261-V265 WeakPolarHBondContact OG1-CB 3.48Å; T261-V265 PolarHBondContact OG1-N 3.14Å; T261-L267 HydrophobicContact CG2-CD1 3.85Å; T261-L267 HydrophobicContact CG2-CD2 4.23Å; T261-L267 HydrophobicContact CG2-CG 4.12Å; T261-L290 HydrophobicContact CG2-CD1 4.09Å | ||
| 262 | D | 85.7 | Confident | 92.2 | Very high | 160 Ų | 160 | 40.1 Ų | 40.1 | 86% | 0.856 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -23.8 | 174.9 | -57.6 | -20.3 | 0 | 0 | 0 | 112.4 | G264 | D262-G264 VanDerWaalsContact C-N 3.28Š|
| 263 | S | 83.3 | Confident | 92 | Very high | 65 Ų | 65 | 42.9 Ų | 42.9 | 46% | 0.455 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 0.2 | 173.2 | 54.1 | 0 | 0 | 0 | 0 | 114.3 | T261 | T261-S263 PolarHBondContact O-N 2.91Å; T261-S263 PolarHBondContact OG1-N 3.5Å; T261-S263 PolarHBondContact OG1-OG 2.94Å |
| 264 | G | 87 | Confident | 91.8 | Very high | 51 Ų | 51 | 44.9 Ų | 44.9 | 53% | 0.526 | 26% | 0.264 | S | S | . | . | trans | 85.9 | 9.3 | 178 | 0 | 0 | 0 | 0 | 0 | 115 | T261 D262 R266 | T261-G264 PolarHBondContact O-N 3.49Å; T261-G264 PolarHBondContact OG1-N 3.4Å; D262-G264 VanDerWaalsContact C-N 3.28Å; G264-R266 PolarHBondContact O-N 3.41Å | ||
| 265 | V | 87.6 | Confident | 91.5 | Very high | 12 Ų | 12 | 47 Ų | 47 | 7% | 0.073 | 27% | 0.273 | C | S | . | . | trans | -72.3 | 120.1 | 176.2 | -178.6 | 0 | 0 | 0 | 0 | 108.7 | H260 T261 L267 Y301 | H260-V265 WeakPolarHBondContact CA-O 3.25Å; T261-V265 HydrophobicContact CG2-CB 3.95Å; T261-V265 PolarHBondContact N-O 3.16Å; T261-V265 VanDerWaalsContact OG1-CB 3.25Å; T261-V265 WeakPolarHBondContact OG1-CB 3.48Å; T261-V265 PolarHBondContact OG1-N 3.14Å; V265-L267 HydrophobicContact CG1-CD2 4.16Å; V265-L267 PolarHBondContact O-N 2.74Å; V265-Y301 HydrophobicContact CB-CD1 4.23Å; V265-Y301 HydrophobicContact CG1-CD1 3.62Å; V265-Y301 HydrophobicContact CG1-CE1 3.52Å; V265-Y301 HydrophobicContact CG2-CD1 3.58Å; V265-Y301 HydrophobicContact CG2-CE1 4.31Å; V265-Y301 HydrophobicContact CG2-CG 4.33Å | ||
| 266 | R | 90.5 | Very high | 91.5 | Very high | 58 Ų | 58 | 45.3 Ų | 45.3 | 22% | 0.219 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 127.6 | 177.3 | -174.2 | 169.3 | 79.5 | -172.7 | 10.1 | 110.6 | M1 D221 E258 G264 R268 | M1-R266 PolarHBondContact N-O 3.09Å; D221-R266 IonicContact OD1-NH2 3.33Å; E258-R266 HydrophobicContact CG-CG 4.36Å; E258-R266 WeakPolarHBondContact OE2-CD 3.28Å; G264-R266 PolarHBondContact O-N 3.41Å; R266-R268 HydrophobicContact CG-CG 4.39Å |
| 267 | L | 91 | Very high | 91.4 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 133.8 | 174.2 | -51.4 | -179.2 | 0 | 0 | 0 | 110.8 | M1 E258 D259 T261 V265 L283 K287 L290 | M1-L267 VanDerWaalsContact CB-CA 3.41Å; M1-L267 HydrophobicContact CB-CB 4.05Å; M1-L267 HydrophobicContact CB-CD2 3.97Å; M1-L267 HydrophobicContact SD-CB 3.97Å; M1-L267 HydrophobicContact SD-CD2 3.67Å; M1-L267 HydrophobicContact SD-CG 4.27Å; E258-L267 CarbonylContact C-O 3.59Å; E258-L267 VanDerWaalsContact CA-O 3.22Å; E258-L267 WeakPolarHBondContact CA-O 3.4Å; E258-L267 WeakPolarHBondContact CG-O 3.47Å; D259-L267 PolarHBondContact N-O 2.73Å; D259-L267 CarbonylContact O-C 3.35Å; D259-L267 WeakPolarHBondContact O-CA 3.47Å; D259-L267 PolarHBondContact O-N 3.47Å; T261-L267 HydrophobicContact CG2-CD1 3.85Å; T261-L267 HydrophobicContact CG2-CD2 4.23Å; T261-L267 HydrophobicContact CG2-CG 4.12Å; V265-L267 HydrophobicContact CG1-CD2 4.16Å; V265-L267 PolarHBondContact O-N 2.74Å; L267-L283 HydrophobicContact CB-CD1 3.52Å; L267-K287 HydrophobicContact CD1-CB 3.82Å; L267-K287 HydrophobicContact CD1-CG 4.33Å; L267-L290 HydrophobicContact CD1-CD1 4.22Å; L267-L290 HydrophobicContact CD2-CD1 3.6Å |
| 268 | R | 93.7 | Very high | 91.3 | Very high | 37 Ų | 37 | 47.3 Ų | 47.3 | 14% | 0.14 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 145.9 | 169 | -30.7 | 165.9 | 159.8 | -171.2 | -20.7 | 110.1 | M1 F2 F3 F256 V257 E258 R266 Y270 | M1-R268 CarbonylContact C-O 3.48Å; M1-R268 VanDerWaalsContact CB-N 3.26Å; M1-R268 CarbonylContact O-C 3.45Å; M1-R268 VanDerWaalsContact O-C 3.3Å; M1-R268 WeakPolarHBondContact O-CA 3.31Å; M1-R268 WeakPolarHBondContact O-CB 3.23Å; M1-R268 WeakPolarHBondContact O-CG 3.38Å; M1-R268 PolarHBondContact O-N 3.3Å; F2-R268 PolarHBondContact N-O 3.29Å; F3-R268 WeakPolarHBondContact CD2-O 3.13Å; F3-R268 PolarHBondContact N-O 3.25Å; F256-R268 HydrophobicContact CB-CB 4.05Å; F256-R268 HydrophobicContact CD2-CB 3.81Å; F256-R268 HydrophobicContact CD2-CG 3.89Å; F256-R268 HydrophobicContact CE2-CG 4.26Å; F256-R268 HydrophobicContact CG-CB 4.14Å; F256-R268 HydrophobicContact CG-CG 4.47Å; V257-R268 CarbonylContact O-C 3.53Å; V257-R268 WeakPolarHBondContact O-CA 3.41Å; V257-R268 VanDerWaalsContact O-CB 3.26Å; V257-R268 WeakPolarHBondContact O-CB 3.46Å; E258-R268 HydrophobicContact CB-CB 4.35Å; E258-R268 HydrophobicContact CB-CG 3.93Å; E258-R268 HydrophobicContact CG-CG 3.94Å; E258-R268 IonicContact OE2-CZ 2.88Å; E258-R268 IonicContact OE2-NE 3.49Å; E258-R268 PolarHBondContact OE2-NE 3.35Å; E258-R268 IonicContact OE2-NH2 3.75Å; E258-R268 PolarHBondContact OE2-NH2 2.99Å; R266-R268 HydrophobicContact CG-CG 4.39Å; R268-Y270 HydrophobicContact CB-CD2 4.13Å; R268-Y270 HydrophobicContact CB-CE2 3.75Å; R268-Y270 VanDerWaalsContact CD-CE2 3.47Å; R268-Y270 HydrophobicContact CG-CE2 4.22Å; R268-Y270 PolarHBondContact NH1-OH 3.06Å |
| 269 | V | 94.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 114.3 | 168.9 | -178.9 | 0 | 0 | 0 | 0 | 108 | F3 F256 V257 G279 A282 L283 L320 L321 | F3-V269 HydrophobicContact CB-CB 4.2Å; F3-V269 HydrophobicContact CB-CG1 3.84Å; F3-V269 HydrophobicContact CB-CG2 4.46Å; F3-V269 HydrophobicContact CD2-CB 3.73Å; F3-V269 HydrophobicContact CD2-CG1 4.12Å; F3-V269 HydrophobicContact CD2-CG2 3.16Å; F3-V269 HydrophobicContact CE2-CG2 3.49Å; F3-V269 VanDerWaalsContact CE2-CG2 3.49Å; F3-V269 HydrophobicContact CG-CB 4.39Å; F3-V269 HydrophobicContact CG-CG1 4.35Å; F3-V269 HydrophobicContact CG-CG2 4.14Å; F256-V269 CarbonylContact C-O 3.44Å; F256-V269 WeakPolarHBondContact CA-O 3.49Å; F256-V269 WeakPolarHBondContact CB-O 3.12Å; V257-V269 HydrophobicContact CG1-CB 3.77Å; V257-V269 HydrophobicContact CG1-CG2 4.29Å; V257-V269 PolarHBondContact N-O 3.31Å; V257-V269 PolarHBondContact O-N 2.81Å; V269-G279 WeakPolarHBondContact CG2-O 3.29Å; V269-A282 HydrophobicContact CG2-CB 4.03Å; V269-L283 HydrophobicContact CG2-CB 3.72Å; V269-L283 HydrophobicContact CG2-CD1 4.34Å; V269-L320 HydrophobicContact CG1-CD1 4.23Å; V269-L320 HydrophobicContact CG1-CD2 3.91Å; V269-L320 HydrophobicContact CG1-CG 4.04Å; V269-L321 HydrophobicContact CG1-CD2 4.5Å |
| 270 | Y | 94.4 | Very high | 91.4 | Very high | 8 Ų | 8 | 44.5 Ų | 44.5 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 154.3 | 174.8 | -73.6 | -117.5 | 0 | 0 | 0 | 110.6 | F2 F3 L4 T214 L216 L254 D255 F256 R268 | F2-Y270 HydrophobicContact CB-CD2 4.07Å; F2-Y270 HydrophobicContact CB-CE2 4.29Å; F2-Y270 AromaticContact CD1-CD2 3.58Å; F2-Y270 HydrophobicContact CD1-CD2 3.58Å; F2-Y270 HydrophobicContact CD1-CE1 4.41Å; F2-Y270 AromaticContact CD1-CE2 2.92Å; F2-Y270 HydrophobicContact CD1-CE2 2.92Å; F2-Y270 AromaticContact CD1-CZ 3.38Å; F2-Y270 HydrophobicContact CE1-CD2 4.37Å; F2-Y270 HydrophobicContact CE1-CE1 4.41Å; F2-Y270 AromaticContact CE1-CE2 3.34Å; F2-Y270 HydrophobicContact CE1-CE2 3.34Å; F2-Y270 AromaticContact CE1-CZ 3.3Å; F2-Y270 WeakPolarHBondContact CE1-OH 2.92Å; F2-Y270 HydrophobicContact CG-CD2 4.21Å; F2-Y270 AromaticContact CG-CE2 3.92Å; F2-Y270 HydrophobicContact CG-CE2 3.92Å; F3-Y270 CarbonylContact C-O 3.56Å; F3-Y270 CarbonylContact O-C 3.55Å; F3-Y270 WeakPolarHBondContact O-CA 2.86Å; F3-Y270 WeakPolarHBondContact O-CB 2.88Å; F3-Y270 PolarHBondContact O-N 3.2Å; L4-Y270 HydrophobicContact CD1-CD1 3.93Å; L4-Y270 HydrophobicContact CD1-CG 3.87Å; T214-Y270 HydrophobicContact CG2-CD1 4.32Å; T214-Y270 HydrophobicContact CG2-CE1 3.83Å; L216-Y270 HydrophobicContact CD1-CD1 3.92Å; L216-Y270 HydrophobicContact CD1-CE1 4.2Å; L216-Y270 HydrophobicContact CD1-CG 4.16Å; L216-Y270 HydrophobicContact CD2-CD1 4.28Å; L216-Y270 HydrophobicContact CD2-CE1 3.72Å; L254-Y270 HydrophobicContact CB-CD1 3.92Å; D255-Y270 CarbonylContact O-C 3.56Å; D255-Y270 WeakPolarHBondContact O-CA 3.4Å; F256-Y270 HydrophobicContact CB-CD1 4.05Å; F256-Y270 HydrophobicContact CB-CD2 3.5Å; F256-Y270 VanDerWaalsContact CB-CD2 3.5Å; F256-Y270 HydrophobicContact CB-CE1 4.11Å; F256-Y270 HydrophobicContact CB-CE2 3.44Å; F256-Y270 VanDerWaalsContact CB-CE2 3.44Å; F256-Y270 HydrophobicContact CB-CG 3.77Å; F256-Y270 HydrophobicContact CD1-CD1 4.31Å; F256-Y270 AromaticContact CD1-CE1 3.6Å; F256-Y270 HydrophobicContact CD1-CE1 3.6Å; F256-Y270 AromaticContact CD1-CE2 3.81Å; F256-Y270 HydrophobicContact CD1-CE2 3.81Å; F256-Y270 AromaticContact CD1-CZ 3.32Å; F256-Y270 VanDerWaalsContact CD1-OH 3.27Å; F256-Y270 WeakPolarHBondContact CD1-OH 3.34Å; F256-Y270 HydrophobicContact CE1-CE1 4.47Å; F256-Y270 HydrophobicContact CG-CD2 4.25Å; F256-Y270 HydrophobicContact CG-CE1 4.21Å; F256-Y270 AromaticContact CG-CE2 3.66Å; F256-Y270 HydrophobicContact CG-CE2 3.66Å; F256-Y270 AromaticContact CG-CZ 3.72Å; R268-Y270 HydrophobicContact CB-CD2 4.13Å; R268-Y270 HydrophobicContact CB-CE2 3.75Å; R268-Y270 VanDerWaalsContact CD-CE2 3.47Å; R268-Y270 HydrophobicContact CG-CE2 4.22Å; R268-Y270 PolarHBondContact NH1-OH 3.06Å |
| 271 | T | 94 | Very high | 91.6 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 169.7 | 173.5 | -175 | 0 | 0 | 0 | 0 | 108.4 | L254 D255 K275 V276 L321 | L254-T271 WeakPolarHBondContact CA-O 3.41Å; D255-T271 PolarHBondContact N-O 3.41Å; D255-T271 PolarHBondContact O-N 2.82Å; T271-K275 HydrophobicContact CG2-CB 3.98Å; T271-V276 HydrophobicContact CG2-CG2 4.32Å; T271-L321 WeakPolarHBondContact OG1-CD1 3.44Å |
| 272 | V | 92.4 | Very high | 91.9 | Very high | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.03 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -62.3 | 148.4 | 169.4 | -61.9 | 0 | 0 | 0 | 0 | 109.6 | Y167 M177 K275 | Y167-V272 HydrophobicContact CD1-CB 4.45Å; Y167-V272 HydrophobicContact CD1-CG1 3.56Å; Y167-V272 HydrophobicContact CD2-CB 3.88Å; Y167-V272 HydrophobicContact CD2-CG1 3.81Å; Y167-V272 HydrophobicContact CD2-CG2 4.3Å; Y167-V272 HydrophobicContact CE1-CB 4.38Å; Y167-V272 HydrophobicContact CE1-CG1 3.72Å; Y167-V272 HydrophobicContact CE2-CB 3.8Å; Y167-V272 HydrophobicContact CE2-CG1 3.96Å; Y167-V272 HydrophobicContact CG-CB 4.22Å; Y167-V272 HydrophobicContact CG-CG1 3.6Å; M177-V272 HydrophobicContact CE-CG1 3.9Å; V272-K275 HydrophobicContact CG2-CD 3.99Å; V272-K275 HydrophobicContact CG2-CG 4.46Å; V272-K275 PolarHBondContact O-N 3.01Å |
| 273 | P | 91.9 | Very high | 92.4 | Very high | 59 Ų | 59 | 33.4 Ų | 33.4 | 38% | 0.383 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | 144.8 | -179.8 | -30.3 | 35.6 | 0 | 0 | 0 | 113.4 | D253 D255 | D253-P273 VanDerWaalsContact O-CD 3.29Å; D253-P273 WeakPolarHBondContact O-CD 3.33Å; D255-P273 WeakPolarHBondContact OD2-CA 2.94Å; D255-P273 WeakPolarHBondContact OD2-CB 3.45Å |
| 274 | G | 90.4 | Very high | 93 | Very high | 76 Ų | 76 | 34.5 Ų | 34.5 | 78% | 0.784 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87.6 | -1.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 275 | K | 90.6 | Very high | 93.4 | Very high | 52 Ų | 52 | 32.2 Ų | 32.2 | 23% | 0.226 | 19% | 0.185 | C | C | . | . | trans | -120.7 | 9.1 | 178.5 | -58.3 | -173.9 | -174.4 | 178.2 | 0 | 114.8 | T271 V272 S277 Q278 E317 L321 | T271-K275 HydrophobicContact CG2-CB 3.98Å; V272-K275 HydrophobicContact CG2-CD 3.99Å; V272-K275 HydrophobicContact CG2-CG 4.46Å; V272-K275 PolarHBondContact O-N 3.01Å; K275-S277 VanDerWaalsContact C-N 3.31Å; K275-S277 PolarHBondContact O-N 3Å; K275-Q278 WeakPolarHBondContact O-CB 3.41Å; K275-Q278 PolarHBondContact O-N 2.97Å; K275-E317 IonicContact NZ-OE1 2.86Å; K275-E317 PolarHBondContact NZ-OE1 3.14Å; K275-E317 IonicContact NZ-OE2 2.98Å; K275-E317 PolarHBondContact NZ-OE2 3.27Å; K275-L321 HydrophobicContact CB-CD1 3.93Å; K275-L321 HydrophobicContact CD-CD1 3.87Å | ||
| 276 | V | 93.5 | Very high | 93.7 | Very high | 41 Ų | 41 | 31.6 Ų | 31.6 | 25% | 0.248 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -52.8 | -44.6 | -171 | 178.2 | 0 | 0 | 0 | 0 | 113.1 | D255 F256 V257 T271 Q278 G279 | D255-V276 HydrophobicContact CB-CG2 3.37Å; F256-V276 WeakPolarHBondContact O-CG1 3.25Å; V257-V276 HydrophobicContact CB-CG1 3.95Å; T271-V276 HydrophobicContact CG2-CG2 4.32Å; V276-Q278 PolarHBondContact O-N 2.86Å; V276-G279 PolarHBondContact O-N 2.87Å |
| 277 | S | 93.6 | Very high | 93.9 | Very high | 99 Ų | 99 | 31.6 Ų | 31.6 | 69% | 0.692 | 18% | 0.183 | S | C | * | . | G | 310 helix | trans | -62.1 | -26.2 | -179.9 | 55 | 0 | 0 | 0 | 0 | 113.5 | K275 G279 Q280 | K275-S277 VanDerWaalsContact C-N 3.31Å; K275-S277 PolarHBondContact O-N 3Å; S277-G279 PolarHBondContact O-N 2.97Å; S277-Q280 WeakPolarHBondContact O-CB 3.37Å; S277-Q280 PolarHBondContact O-N 3.32Å |
| 278 | Q | 93.4 | Very high | 94.2 | Very high | 44 Ų | 44 | 36.9 Ų | 36.9 | 21% | 0.206 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -72.6 | -14.3 | 178.4 | -55.1 | 178.9 | -3.7 | 0 | 0 | 112.4 | K275 V276 Q280 L321 F322 D323 | K275-Q278 WeakPolarHBondContact O-CB 3.41Å; K275-Q278 PolarHBondContact O-N 2.97Å; V276-Q278 PolarHBondContact O-N 2.86Å; Q278-Q280 VanDerWaalsContact C-N 3.3Å; Q278-L321 HydrophobicContact CB-CB 3.87Å; Q278-L321 HydrophobicContact CB-CD1 4.4Å; Q278-L321 HydrophobicContact CB-CD2 4.38Å; Q278-L321 HydrophobicContact CB-CG 4.45Å; Q278-L321 WeakPolarHBondContact O-CA 3.12Å; Q278-F322 VanDerWaalsContact CA-O 3.31Å; Q278-F322 WeakPolarHBondContact CA-O 3.36Å; Q278-F322 PolarHBondContact O-N 3.35Å; Q278-D323 HydrophobicContact CG-CB 4.25Å |
| 279 | G | 94.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -77 | -13.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | V269 V276 S277 F281 A282 L283 | V269-G279 WeakPolarHBondContact CG2-O 3.29Å; V276-G279 PolarHBondContact O-N 2.87Å; S277-G279 PolarHBondContact O-N 2.97Å; G279-F281 PolarHBondContact O-N 3.46Å; G279-A282 PolarHBondContact O-N 2.89Å; G279-A282 VanDerWaalsContact O-N 3.17Å; G279-L283 PolarHBondContact O-N 2.99Å |
| 280 | Q | 96.4 | Very high | 94.2 | Very high | 73 Ų | 73 | 35.2 Ų | 35.2 | 34% | 0.341 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59.4 | -44.2 | -169.9 | -175.3 | 60.9 | 35.5 | 0 | 0 | 113.1 | V257 S277 Q278 A282 L283 E284 | V257-Q280 VanDerWaalsContact CG2-OE1 3.24Å; S277-Q280 WeakPolarHBondContact O-CB 3.37Å; S277-Q280 PolarHBondContact O-N 3.32Å; Q278-Q280 VanDerWaalsContact C-N 3.3Å; Q280-A282 PolarHBondContact O-N 3.39Å; Q280-L283 WeakPolarHBondContact O-CB 3.39Å; Q280-L283 PolarHBondContact O-N 2.6Å; Q280-E284 WeakPolarHBondContact CG-OE1 3.09Å; Q280-E284 PolarHBondContact NE2-OE1 2.9Å; Q280-E284 WeakPolarHBondContact O-CG 3.49Å; Q280-E284 PolarHBondContact O-N 3.16Å |
| 281 | F | 95.8 | Very high | 94.1 | Very high | 20 Ų | 20 | 37.5 Ų | 37.5 | 9% | 0.088 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.1 | -43 | 178.6 | 172.8 | -107.6 | 0 | 0 | 0 | 112.3 | G279 L283 E284 F285 F322 K332 I335 A336 F379 | G279-F281 PolarHBondContact O-N 3.46Å; F281-L283 VanDerWaalsContact C-N 3.32Å; F281-L283 PolarHBondContact O-N 3.24Å; F281-E284 PolarHBondContact O-N 3.26Å; F281-F285 WeakPolarHBondContact O-CB 3.35Å; F281-F285 PolarHBondContact O-N 3.22Å; F281-F322 HydrophobicContact CB-CB 3.83Å; F281-F322 HydrophobicContact CB-CD1 3.85Å; F281-F322 HydrophobicContact CB-CG 4.09Å; F281-F322 HydrophobicContact CD1-CB 4Å; F281-F322 HydrophobicContact CD1-CG 4.29Å; F281-F322 HydrophobicContact CG-CB 4.21Å; F281-F322 HydrophobicContact CG-CD1 4.25Å; F281-F322 HydrophobicContact CG-CG 4.27Å; F281-K332 HydrophobicContact CD1-CG 4.31Å; F281-K332 HydrophobicContact CE1-CG 3.72Å; F281-K332 WeakPolarHBondContact CE1-O 3.46Å; F281-K332 HydrophobicContact CE2-CD 4.3Å; F281-K332 HydrophobicContact CE2-CG 3.99Å; F281-K332 HydrophobicContact CZ-CD 4.31Å; F281-K332 HydrophobicContact CZ-CG 3.54Å; F281-I335 HydrophobicContact CD1-CB 4.44Å; F281-I335 HydrophobicContact CD1-CG2 3.85Å; F281-I335 HydrophobicContact CE1-CB 4.06Å; F281-I335 HydrophobicContact CE1-CG2 3.78Å; F281-A336 HydrophobicContact CZ-CB 4.27Å; F281-F379 HydrophobicContact CE2-CE2 4.13Å; F281-F379 AromaticContact CE2-CZ 3.93Å; F281-F379 HydrophobicContact CE2-CZ 3.93Å; F281-F379 HydrophobicContact CZ-CE2 4.07Å; F281-F379 HydrophobicContact CZ-CZ 4.35Å |
| 282 | A | 95 | Very high | 94.2 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.4 | -41.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V269 G279 Q280 A286 L320 I339 | V269-A282 HydrophobicContact CG2-CB 4.03Å; G279-A282 PolarHBondContact O-N 2.89Å; G279-A282 VanDerWaalsContact O-N 3.17Å; Q280-A282 PolarHBondContact O-N 3.39Å; A282-A286 WeakPolarHBondContact O-CB 3.34Å; A282-A286 PolarHBondContact O-N 2.77Å; A282-L320 HydrophobicContact CB-CD1 3.71Å; A282-L320 HydrophobicContact CB-CG 4.41Å; A282-L320 WeakPolarHBondContact CB-O 3.45Å; A282-I339 HydrophobicContact CB-CD1 3.45Å; A282-I339 VanDerWaalsContact CB-CD1 3.45Å |
| 283 | L | 95.7 | Very high | 94.4 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.1 | -49.2 | 177.3 | -175.9 | 62.7 | 0 | 0 | 0 | 111.8 | V257 D259 L267 V269 G279 Q280 F281 A286 K287 | V257-L283 HydrophobicContact CB-CD2 4.36Å; V257-L283 HydrophobicContact CG1-CD2 4.04Å; V257-L283 HydrophobicContact CG2-CD2 3.76Å; D259-L283 HydrophobicContact CB-CD1 4.1Å; D259-L283 HydrophobicContact CB-CD2 3.79Å; D259-L283 HydrophobicContact CB-CG 3.92Å; L267-L283 HydrophobicContact CB-CD1 3.52Å; V269-L283 HydrophobicContact CG2-CB 3.72Å; V269-L283 HydrophobicContact CG2-CD1 4.34Å; G279-L283 PolarHBondContact O-N 2.99Å; Q280-L283 WeakPolarHBondContact O-CB 3.39Å; Q280-L283 PolarHBondContact O-N 2.6Å; F281-L283 VanDerWaalsContact C-N 3.32Å; F281-L283 PolarHBondContact O-N 3.24Å; L283-A286 PolarHBondContact O-N 3.49Å; L283-K287 PolarHBondContact O-N 3.33Å; L283-K287 VanDerWaalsContact O-N 3.12Å |
| 284 | E | 96.3 | Very high | 94.4 | Very high | 89 Ų | 89 | 36.4 Ų | 36.4 | 42% | 0.416 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.4 | -44.1 | 179.2 | -72.9 | 173 | -170.4 | 0 | 0 | 112.3 | Q280 F281 K287 K288 | Q280-E284 WeakPolarHBondContact CG-OE1 3.09Å; Q280-E284 PolarHBondContact NE2-OE1 2.9Å; Q280-E284 WeakPolarHBondContact O-CG 3.49Å; Q280-E284 PolarHBondContact O-N 3.16Å; F281-E284 PolarHBondContact O-N 3.26Å; E284-K287 PolarHBondContact O-N 2.77Å; E284-K288 PolarHBondContact O-N 3.31Å |
| 285 | F | 95.9 | Very high | 94.7 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.009 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.3 | -44.3 | 177.9 | 177.8 | -102 | 0 | 0 | 0 | 111.4 | F281 K287 K288 A289 A336 I339 A340 V375 V378 F379 | F281-F285 WeakPolarHBondContact O-CB 3.35Å; F281-F285 PolarHBondContact O-N 3.22Å; F285-K287 VanDerWaalsContact C-N 3.27Å; F285-K287 PolarHBondContact O-N 2.91Å; F285-K288 PolarHBondContact O-N 3.41Å; F285-K288 VanDerWaalsContact O-N 3.09Å; F285-A289 HydrophobicContact CE1-CB 4.01Å; F285-A289 HydrophobicContact CZ-CB 4.12Å; F285-A289 WeakPolarHBondContact O-CB 3.33Å; F285-A289 PolarHBondContact O-N 3.1Å; F285-A336 HydrophobicContact CD1-CB 4.15Å; F285-A336 HydrophobicContact CD2-CB 4.05Å; F285-A336 HydrophobicContact CE1-CB 4.03Å; F285-A336 WeakPolarHBondContact CE1-O 3.33Å; F285-A336 HydrophobicContact CE2-CB 3.88Å; F285-A336 HydrophobicContact CG-CB 4.16Å; F285-A336 HydrophobicContact CZ-CB 3.88Å; F285-A336 WeakPolarHBondContact CZ-O 3.32Å; F285-I339 HydrophobicContact CD1-CB 3.79Å; F285-I339 HydrophobicContact CD1-CD1 4.31Å; F285-I339 HydrophobicContact CD1-CG2 3.66Å; F285-I339 HydrophobicContact CE1-CB 3.93Å; F285-I339 HydrophobicContact CE1-CG2 3.94Å; F285-A340 HydrophobicContact CE1-CB 4.04Å; F285-A340 HydrophobicContact CZ-CB 4.03Å; F285-V375 HydrophobicContact CE2-CG2 4.29Å; F285-V375 HydrophobicContact CZ-CG2 3.75Å; F285-V378 HydrophobicContact CD2-CG1 3.88Å; F285-V378 HydrophobicContact CE2-CB 4.02Å; F285-V378 HydrophobicContact CE2-CG1 3.78Å; F285-V378 HydrophobicContact CE2-CG2 4.4Å; F285-F379 HydrophobicContact CD2-CD2 4.03Å; F285-F379 AromaticContact CD2-CE2 3.3Å; F285-F379 HydrophobicContact CD2-CE2 3.3Å; F285-F379 AromaticContact CD2-CZ 3.98Å; F285-F379 HydrophobicContact CD2-CZ 3.98Å; F285-F379 HydrophobicContact CE2-CD2 4Å; F285-F379 AromaticContact CE2-CE2 3.76Å; F285-F379 HydrophobicContact CE2-CE2 3.76Å; F285-F379 HydrophobicContact CG-CE2 4.25Å |
| 286 | A | 94.4 | Very high | 95 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.3 | -40.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | M1 F3 A282 L283 K288 A289 L290 I339 L343 | M1-A286 HydrophobicContact CE-CB 3.71Å; M1-A286 HydrophobicContact SD-CB 4.05Å; F3-A286 HydrophobicContact CE2-CB 4.25Å; F3-A286 HydrophobicContact CZ-CB 3.97Å; A282-A286 WeakPolarHBondContact O-CB 3.34Å; A282-A286 PolarHBondContact O-N 2.77Å; L283-A286 PolarHBondContact O-N 3.49Å; A286-K288 PolarHBondContact O-N 3.3Å; A286-A289 PolarHBondContact O-N 2.81Å; A286-L290 WeakPolarHBondContact O-CB 3.26Å; A286-L290 WeakPolarHBondContact O-CG 3.42Å; A286-L290 PolarHBondContact O-N 2.61Å; A286-I339 HydrophobicContact CB-CG2 4.07Å; A286-L343 HydrophobicContact CB-CD1 4.21Å |
| 287 | K | 94.8 | Very high | 95.1 | Very high | 58 Ų | 58 | 36.5 Ų | 36.5 | 25% | 0.252 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -59.1 | -45.6 | 175.1 | -175.1 | 173.9 | -176.1 | 168.3 | 0 | 112.1 | D259 H260 L267 L283 E284 F285 A291 | D259-K287 IonicContact OD1-NZ 2.62Å; D259-K287 PolarHBondContact OD1-NZ 3.2Å; D259-K287 WeakPolarHBondContact OD2-CD 3.42Å; D259-K287 IonicContact OD2-NZ 2.75Å; D259-K287 PolarHBondContact OD2-NZ 2.73Å; H260-K287 WeakPolarHBondContact O-CE 3.39Å; H260-K287 PolarHBondContact O-NZ 3.37Å; L267-K287 HydrophobicContact CD1-CB 3.82Å; L267-K287 HydrophobicContact CD1-CG 4.33Å; L283-K287 PolarHBondContact O-N 3.33Å; L283-K287 VanDerWaalsContact O-N 3.12Å; E284-K287 PolarHBondContact O-N 2.77Å; F285-K287 VanDerWaalsContact C-N 3.27Å; F285-K287 PolarHBondContact O-N 2.91Å; K287-A291 PolarHBondContact O-N 2.94Å |
| 288 | K | 96 | Very high | 95.1 | Very high | 111 Ų | 111 | 34.3 Ų | 34.3 | 48% | 0.483 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -68.5 | -42.9 | 178.3 | -65 | -179.3 | -175.9 | -179.4 | 0 | 112.4 | E284 F285 A286 A291 F292 V378 | E284-K288 PolarHBondContact O-N 3.31Å; F285-K288 PolarHBondContact O-N 3.41Å; F285-K288 VanDerWaalsContact O-N 3.09Å; A286-K288 PolarHBondContact O-N 3.3Å; K288-A291 PolarHBondContact O-N 3.07Å; K288-F292 PolarHBondContact O-N 2.95Å; K288-V378 HydrophobicContact CB-CG1 3.94Å; K288-V378 HydrophobicContact CB-CG2 4.19Å; K288-V378 HydrophobicContact CD-CG1 3.78Å |
| 289 | A | 94.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.3 | -41 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F285 A286 F292 Y293 L343 | F285-A289 HydrophobicContact CE1-CB 4.01Å; F285-A289 HydrophobicContact CZ-CB 4.12Å; F285-A289 WeakPolarHBondContact O-CB 3.33Å; F285-A289 PolarHBondContact O-N 3.1Å; A286-A289 PolarHBondContact O-N 2.81Å; A289-F292 WeakPolarHBondContact O-CB 3.48Å; A289-F292 PolarHBondContact O-N 3.43Å; A289-Y293 HydrophobicContact CB-CE2 4.34Å; A289-Y293 WeakPolarHBondContact O-CD2 3.01Å; A289-Y293 PolarHBondContact O-N 3.49Å; A289-L343 HydrophobicContact CB-CD1 3.6Å |
| 290 | L | 93.2 | Very high | 94.8 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.8 | -46 | 174.2 | -78.2 | 174.2 | 0 | 0 | 0 | 112.4 | T261 L267 A286 F292 Y293 D294 Y301 L343 W347 | T261-L290 HydrophobicContact CG2-CD1 4.09Å; L267-L290 HydrophobicContact CD1-CD1 4.22Å; L267-L290 HydrophobicContact CD2-CD1 3.6Å; A286-L290 WeakPolarHBondContact O-CB 3.26Å; A286-L290 WeakPolarHBondContact O-CG 3.42Å; A286-L290 PolarHBondContact O-N 2.61Å; L290-F292 VanDerWaalsContact C-N 3.28Å; L290-F292 PolarHBondContact O-N 3.44Å; L290-Y293 PolarHBondContact O-N 2.88Å; L290-D294 WeakPolarHBondContact O-CB 3.4Å; L290-D294 PolarHBondContact O-N 3.42Å; L290-Y301 HydrophobicContact CD2-CD2 3.49Å; L290-Y301 VanDerWaalsContact CD2-CD2 3.49Å; L290-Y301 HydrophobicContact CD2-CE2 3.88Å; L290-Y301 HydrophobicContact CD2-CG 4.35Å; L290-L343 HydrophobicContact CD2-CD2 3.88Å; L290-L343 HydrophobicContact CG-CD1 4.28Å; L290-L343 HydrophobicContact CG-CD2 4.14Å; L290-W347 HydrophobicContact CD2-CH2 4.43Å |
| 291 | A | 94 | Very high | 94 | Very high | 56 Ų | 56 | 38.6 Ų | 38.6 | 46% | 0.463 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -58.7 | -42.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | K287 K288 E295 | K287-A291 PolarHBondContact O-N 2.94Å; K288-A291 PolarHBondContact O-N 3.07Å; A291-E295 PolarHBondContact O-N 3.11Å; A291-E295 VanDerWaalsContact O-N 3.17Å |
| 292 | F | 96 | Very high | 93 | Very high | 13 Ų | 13 | 41 Ų | 41 | 6% | 0.057 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.4 | -47.8 | 175.3 | 170.4 | -96.6 | 0 | 0 | 0 | 112.6 | K288 A289 L290 E295 Y296 M370 F373 C374 H377 | K288-F292 PolarHBondContact O-N 2.95Å; A289-F292 WeakPolarHBondContact O-CB 3.48Å; A289-F292 PolarHBondContact O-N 3.43Å; L290-F292 VanDerWaalsContact C-N 3.28Å; L290-F292 PolarHBondContact O-N 3.44Å; F292-E295 PolarHBondContact O-N 3.4Å; F292-Y296 VanDerWaalsContact O-CB 3.31Å; F292-Y296 WeakPolarHBondContact O-CB 3.43Å; F292-Y296 PolarHBondContact O-N 3.04Å; F292-M370 HydrophobicContact CE1-CE 3.7Å; F292-M370 HydrophobicContact CZ-CE 4.32Å; F292-F373 HydrophobicContact CE1-CD1 4.29Å; F292-F373 HydrophobicContact CE2-CE1 4.39Å; F292-F373 AromaticContact CZ-CD1 3.58Å; F292-F373 HydrophobicContact CZ-CD1 3.58Å; F292-F373 AromaticContact CZ-CE1 3.72Å; F292-F373 HydrophobicContact CZ-CE1 3.72Å; F292-F373 HydrophobicContact CZ-CG 4.43Å; F292-C374 HydrophobicContact CD1-CB 3.69Å; F292-C374 VanDerWaalsContact CD1-SG 3.58Å; F292-C374 HydrophobicContact CE1-CB 3.61Å; F292-C374 HydrophobicContact CZ-CB 4.47Å; F292-H377 HydrophobicContact CD2-CB 3.91Å; F292-H377 AromaticContact CD2-CD2 3.39Å; F292-H377 WeakPolarHBondContact CD2-CD2 3.33Å; F292-H377 AromaticContact CD2-CG 3.51Å; F292-H377 AromaticContact CD2-NE2 3.88Å; F292-H377 HydrophobicContact CE2-CB 3.64Å; F292-H377 AromaticContact CE2-CD2 3.96Å; F292-H377 AromaticContact CE2-CG 3.57Å; F292-H377 AromaticContact CE2-ND1 3.95Å; F292-H377 HydrophobicContact CZ-CB 4.35Å |
| 293 | Y | 95.2 | Very high | 92 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.1 | -40 | -179 | -69.3 | -49.5 | 0 | 0 | 0 | 113 | A289 L290 E295 Y296 F297 A340 L343 A344 W347 M370 C374 | A289-Y293 HydrophobicContact CB-CE2 4.34Å; A289-Y293 WeakPolarHBondContact O-CD2 3.01Å; A289-Y293 PolarHBondContact O-N 3.49Å; L290-Y293 PolarHBondContact O-N 2.88Å; Y293-E295 VanDerWaalsContact C-N 3.27Å; Y293-E295 PolarHBondContact O-N 3.43Å; Y293-Y296 PolarHBondContact O-N 2.98Å; Y293-F297 HydrophobicContact CD1-CD2 4.2Å; Y293-F297 AromaticContact CD1-CE2 3.38Å; Y293-F297 HydrophobicContact CD1-CE2 3.38Å; Y293-F297 HydrophobicContact CD1-CZ 4.03Å; Y293-F297 HydrophobicContact CE1-CE2 4.18Å; Y293-F297 HydrophobicContact CG-CD2 4.46Å; Y293-F297 AromaticContact CG-CE2 3.94Å; Y293-F297 HydrophobicContact CG-CE2 3.94Å; Y293-F297 WeakPolarHBondContact O-CB 3.21Å; Y293-F297 VanDerWaalsContact O-CD2 3.27Å; Y293-F297 WeakPolarHBondContact O-CD2 3.45Å; Y293-F297 PolarHBondContact O-N 2.79Å; Y293-A340 PolarHBondContact OH-O 2.84Å; Y293-L343 HydrophobicContact CD2-CB 4.06Å; Y293-L343 HydrophobicContact CE2-CB 3.7Å; Y293-A344 HydrophobicContact CE1-CB 4.36Å; Y293-W347 HydrophobicContact CD2-CH2 4.33Å; Y293-W347 AromaticContact CD2-CZ3 3.77Å; Y293-W347 HydrophobicContact CD2-CZ3 3.77Å; Y293-W347 HydrophobicContact CG-CE3 4.26Å; Y293-W347 HydrophobicContact CG-CH2 4.08Å; Y293-W347 AromaticContact CG-CZ3 3.67Å; Y293-W347 HydrophobicContact CG-CZ3 3.67Å; Y293-M370 HydrophobicContact CD1-CE 3.74Å; Y293-M370 HydrophobicContact CE1-CB 4.03Å; Y293-M370 HydrophobicContact CE1-CE 3.43Å; Y293-M370 VanDerWaalsContact CE1-CE 3.43Å; Y293-M370 PolarHBondContact OH-O 3.22Å; Y293-C374 HydrophobicContact CE1-CB 3.93Å; Y293-C374 HydrophobicContact CE2-CB 4.48Å; Y293-C374 VanDerWaalsContact OH-CB 3.3Å; Y293-C374 WeakPolarHBondContact OH-CB 3.29Å |
| 294 | D | 93.5 | Very high | 90.2 | Very high | 27 Ų | 27 | 43.8 Ų | 43.8 | 14% | 0.144 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -54.3 | -46.5 | 174.1 | -83.3 | -1.5 | 0 | 0 | 0 | 110.7 | L290 G298 Y301 | L290-D294 WeakPolarHBondContact O-CB 3.4Å; L290-D294 PolarHBondContact O-N 3.42Å; D294-G298 WeakPolarHBondContact O-CA 3.04Å; D294-G298 PolarHBondContact O-N 2.6Å; D294-Y301 WeakPolarHBondContact OD1-CB 3.5Å; D294-Y301 PolarHBondContact OD1-N 3.3Å |
| 295 | E | 95.1 | Very high | 88.5 | Confident | 142 Ų | 142 | 39.5 Ų | 39.5 | 66% | 0.664 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -67.9 | -51 | 177 | -173.9 | -177.1 | 164.5 | 0 | 0 | 111.6 | A291 F292 Y293 F297 G298 R451 | A291-E295 PolarHBondContact O-N 3.11Å; A291-E295 VanDerWaalsContact O-N 3.17Å; F292-E295 PolarHBondContact O-N 3.4Å; Y293-E295 VanDerWaalsContact C-N 3.27Å; Y293-E295 PolarHBondContact O-N 3.43Å; E295-F297 PolarHBondContact O-N 2.93Å; E295-G298 PolarHBondContact O-N 2.79Å; E295-R451 PolarHBondContact O-NH2 2.92Å |
| 296 | Y | 97 | Very high | 86 | Confident | 27 Ų | 27 | 39.4 Ų | 39.4 | 11% | 0.106 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.2 | -47.9 | -173.1 | -168.9 | -102.8 | 0 | 0 | 0 | 111.9 | F292 Y293 M370 F373 K447 L450 R451 | F292-Y296 VanDerWaalsContact O-CB 3.31Å; F292-Y296 WeakPolarHBondContact O-CB 3.43Å; F292-Y296 PolarHBondContact O-N 3.04Å; Y293-Y296 PolarHBondContact O-N 2.98Å; Y296-M370 HydrophobicContact CD1-CE 3.74Å; Y296-M370 HydrophobicContact CD1-SD 4.25Å; Y296-M370 HydrophobicContact CE1-CE 4.02Å; Y296-M370 HydrophobicContact CE1-SD 3.99Å; Y296-M370 HydrophobicContact CG-CE 4.42Å; Y296-F373 AromaticContact CD2-CE1 3.84Å; Y296-F373 HydrophobicContact CD2-CE1 3.84Å; Y296-F373 HydrophobicContact CE1-CE1 4.39Å; Y296-F373 HydrophobicContact CE2-CD1 4.3Å; Y296-F373 AromaticContact CE2-CE1 3.37Å; Y296-F373 HydrophobicContact CE2-CE1 3.37Å; Y296-F373 HydrophobicContact CE2-CZ 4.09Å; Y296-F373 AromaticContact CZ-CE1 3.68Å; Y296-K447 HydrophobicContact CD2-CD 4.4Å; Y296-K447 HydrophobicContact CE2-CD 4.16Å; Y296-K447 HydrophobicContact CE2-CG 4.2Å; Y296-L450 HydrophobicContact CE1-CD1 4.49Å; Y296-R451 PolarHBondContact O-NE 2.95Å; Y296-R451 PolarHBondContact O-NH2 3.48Å |
| 297 | F | 96 | Very high | 83.8 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.009 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -83.7 | -11.7 | 179.9 | -58.3 | -55.1 | 0 | 0 | 0 | 113.9 | Y293 E295 I299 W347 F348 M370 L450 R451 L454 | Y293-F297 HydrophobicContact CD1-CD2 4.2Å; Y293-F297 AromaticContact CD1-CE2 3.38Å; Y293-F297 HydrophobicContact CD1-CE2 3.38Å; Y293-F297 HydrophobicContact CD1-CZ 4.03Å; Y293-F297 HydrophobicContact CE1-CE2 4.18Å; Y293-F297 HydrophobicContact CG-CD2 4.46Å; Y293-F297 AromaticContact CG-CE2 3.94Å; Y293-F297 HydrophobicContact CG-CE2 3.94Å; Y293-F297 WeakPolarHBondContact O-CB 3.21Å; Y293-F297 VanDerWaalsContact O-CD2 3.27Å; Y293-F297 WeakPolarHBondContact O-CD2 3.45Å; Y293-F297 PolarHBondContact O-N 2.79Å; E295-F297 PolarHBondContact O-N 2.93Å; F297-I299 PolarHBondContact O-N 2.84Å; F297-I299 VanDerWaalsContact O-N 3.09Å; F297-W347 HydrophobicContact CB-CG 4.43Å; F297-W347 HydrophobicContact CD2-CB 4.23Å; F297-W347 AromaticContact CD2-CD1 3.77Å; F297-W347 AromaticContact CD2-CD2 3.34Å; F297-W347 HydrophobicContact CD2-CD2 3.34Å; F297-W347 AromaticContact CD2-CE2 3.56Å; F297-W347 AromaticContact CD2-CE3 3.81Å; F297-W347 HydrophobicContact CD2-CE3 3.81Å; F297-W347 AromaticContact CD2-CG 3.52Å; F297-W347 HydrophobicContact CD2-CG 3.52Å; F297-W347 HydrophobicContact CD2-CZ2 4.21Å; F297-W347 HydrophobicContact CD2-CZ3 4.45Å; F297-W347 AromaticContact CD2-NE1 3.75Å; F297-W347 HydrophobicContact CE2-CB 4.25Å; F297-W347 AromaticContact CE2-CD2 3.7Å; F297-W347 HydrophobicContact CE2-CD2 3.7Å; F297-W347 AromaticContact CE2-CE3 3.73Å; F297-W347 HydrophobicContact CE2-CE3 3.73Å; F297-W347 AromaticContact CE2-CG 3.93Å; F297-W347 HydrophobicContact CE2-CG 3.93Å; F297-W347 HydrophobicContact CE2-CZ3 4.43Å; F297-W347 AromaticContact CG-CD1 3.95Å; F297-W347 HydrophobicContact CG-CD2 4.28Å; F297-W347 HydrophobicContact CG-CG 4.05Å; F297-F348 AromaticContact CE1-CE2 3.67Å; F297-F348 HydrophobicContact CE1-CE2 3.67Å; F297-F348 AromaticContact CE1-CZ 3.89Å; F297-F348 HydrophobicContact CE1-CZ 3.89Å; F297-F348 HydrophobicContact CE2-CE2 4.39Å; F297-F348 HydrophobicContact CZ-CD2 4.46Å; F297-F348 AromaticContact CZ-CE2 3.52Å; F297-F348 HydrophobicContact CZ-CE2 3.52Å; F297-F348 HydrophobicContact CZ-CZ 4.22Å; F297-M370 HydrophobicContact CE1-CE 4.22Å; F297-M370 HydrophobicContact CE1-SD 4.07Å; F297-M370 HydrophobicContact CE2-CE 4.28Å; F297-M370 HydrophobicContact CZ-CE 3.59Å; F297-M370 HydrophobicContact CZ-CG 3.9Å; F297-M370 HydrophobicContact CZ-SD 3.75Å; F297-L450 HydrophobicContact CE1-CD1 4.47Å; F297-R451 WeakPolarHBondContact O-CG 3.26Å; F297-L454 HydrophobicContact CB-CD1 3.95Å; F297-L454 HydrophobicContact CD1-CD1 3.5Å; F297-L454 HydrophobicContact CE1-CD1 4.2Å; F297-L454 HydrophobicContact CG-CD1 3.8Å |
| 298 | G | 94.5 | Very high | 81.8 | Confident | 53 Ų | 53 | 37 Ų | 37 | 55% | 0.546 | 20% | 0.2 | S | C | . | . | S | Bend | trans | 59.4 | 21.4 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | D294 E295 | D294-G298 WeakPolarHBondContact O-CA 3.04Å; D294-G298 PolarHBondContact O-N 2.6Å; E295-G298 PolarHBondContact O-N 2.79Å |
| 299 | I | 92.3 | Very high | 80.6 | Confident | 35 Ų | 35 | 32 Ų | 32 | 18% | 0.179 | 18% | 0.178 | C | C | . | . | trans | -127.4 | 108.4 | 176.9 | -64.7 | 171.1 | 0 | 0 | 0 | 105.6 | F297 W347 L351 L454 | F297-I299 PolarHBondContact O-N 2.84Å; F297-I299 VanDerWaalsContact O-N 3.09Å; I299-W347 PolarHBondContact O-NE1 3.23Å; I299-L351 HydrophobicContact CD1-CD2 4.13Å; I299-L351 HydrophobicContact CG2-CD2 3.98Å; I299-L454 HydrophobicContact CD1-CB 3.47Å; I299-L454 VanDerWaalsContact CD1-CB 3.47Å | ||
| 300 | K | 88.3 | Confident | 79.6 | Confident | 159 Ų | 159 | 32.1 Ų | 32.1 | 69% | 0.691 | 18% | 0.178 | S | C | * | . | trans | -64.1 | 145 | 178.9 | -68.7 | -171.7 | 178.4 | -174.7 | 0 | 110.8 | N302 | K300-N302 PolarHBondContact O-N 3.13Š| ||
| 301 | Y | 80.3 | Confident | 79.2 | Confident | 14 Ų | 14 | 32 Ų | 32 | 6% | 0.055 | 18% | 0.178 | C | C | . | . | trans | -50 | 122.7 | 162.6 | -164.4 | -83.5 | 0 | 0 | 0 | 112 | V265 L290 D294 L303 K305 S306 M307 M346 | V265-Y301 HydrophobicContact CB-CD1 4.23Å; V265-Y301 HydrophobicContact CG1-CD1 3.62Å; V265-Y301 HydrophobicContact CG1-CE1 3.52Å; V265-Y301 HydrophobicContact CG2-CD1 3.58Å; V265-Y301 HydrophobicContact CG2-CE1 4.31Å; V265-Y301 HydrophobicContact CG2-CG 4.33Å; L290-Y301 HydrophobicContact CD2-CD2 3.49Å; L290-Y301 VanDerWaalsContact CD2-CD2 3.49Å; L290-Y301 HydrophobicContact CD2-CE2 3.88Å; L290-Y301 HydrophobicContact CD2-CG 4.35Å; D294-Y301 WeakPolarHBondContact OD1-CB 3.5Å; D294-Y301 PolarHBondContact OD1-N 3.3Å; Y301-L303 WeakPolarHBondContact CD1-O 3.48Å; Y301-L303 HydrophobicContact CE1-CB 3.81Å; Y301-L303 WeakPolarHBondContact CE1-O 3.39Å; Y301-K305 PolarHBondContact OH-O 3.2Å; Y301-S306 WeakPolarHBondContact OH-CA 3.17Å; Y301-S306 WeakPolarHBondContact OH-CB 3.29Å; Y301-S306 PolarHBondContact OH-N 3.38Å; Y301-M307 HydrophobicContact CE2-CE 3.79Å; Y301-M307 HydrophobicContact CE2-CG 3.44Å; Y301-M307 VanDerWaalsContact CE2-CG 3.44Å; Y301-M307 HydrophobicContact CE2-SD 3.74Å; Y301-M307 WeakPolarHBondContact OH-CE 3.13Å; Y301-M307 WeakPolarHBondContact OH-CG 3.31Å; Y301-M346 HydrophobicContact CD1-CE 4.1Å; Y301-M346 HydrophobicContact CD2-CE 3.23Å; Y301-M346 HydrophobicContact CD2-SD 3.05Å; Y301-M346 WeakPolarHBondContact CD2-SD 3.09Å; Y301-M346 HydrophobicContact CE1-CE 4.18Å; Y301-M346 HydrophobicContact CE2-CE 3.26Å; Y301-M346 HydrophobicContact CE2-CG 4.33Å; Y301-M346 HydrophobicContact CE2-SD 3.28Å; Y301-M346 WeakPolarHBondContact CE2-SD 3.45Å; Y301-M346 HydrophobicContact CG-CE 3.65Å; Y301-M346 HydrophobicContact CG-SD 3.94Å | ||
| 302 | N | 74.9 | Confident | 79.1 | Confident | 71 Ų | 71 | 29.4 Ų | 29.4 | 38% | 0.38 | 16% | 0.156 | S | C | . | . | trans | -119.8 | 0.9 | -169.2 | 65.9 | 7.5 | 0 | 0 | 0 | 115.6 | K300 Y459 | K300-N302 PolarHBondContact O-N 3.13Å; N302-Y459 PolarHBondContact ND2-OH 3.21Å | ||
| 303 | L | 74 | Confident | 78.6 | Confident | 9 Ų | 9 | 28.8 Ų | 28.8 | 5% | 0.047 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -90.2 | 154 | 173.1 | -71 | -161.8 | 0 | 0 | 0 | 111.8 | M219 P240 Y301 K305 M307 W310 | M219-L303 HydrophobicContact CE-CD2 4.14Å; M219-L303 HydrophobicContact SD-CD1 4.23Å; M219-L303 HydrophobicContact SD-CD2 4.01Å; P240-L303 HydrophobicContact CG-CD2 3.44Å; P240-L303 VanDerWaalsContact CG-CD2 3.44Å; Y301-L303 WeakPolarHBondContact CD1-O 3.48Å; Y301-L303 HydrophobicContact CE1-CB 3.81Å; Y301-L303 WeakPolarHBondContact CE1-O 3.39Å; L303-K305 VanDerWaalsContact C-N 3.27Å; L303-K305 WeakPolarHBondContact CB-O 3.4Å; L303-K305 PolarHBondContact O-N 2.95Å; L303-M307 HydrophobicContact CB-CE 4.31Å; L303-M307 HydrophobicContact CD1-CE 3.52Å; L303-M307 HydrophobicContact CG-CE 4.14Å; L303-W310 HydrophobicContact CD1-CB 4.27Å; L303-W310 HydrophobicContact CD1-CD2 4.18Å; L303-W310 HydrophobicContact CD1-CG 3.6Å |
| 304 | P | 58.6 | Low | 78.1 | Confident | 49 Ų | 49 | 29.3 Ų | 29.3 | 32% | 0.318 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -76.8 | -8.5 | 173.7 | 31.7 | -34.8 | 0 | 0 | 0 | 113.7 | M219 I220 | M219-P304 HydrophobicContact CE-CG 3.73Å; I220-P304 HydrophobicContact CD1-CB 4.33Å; I220-P304 HydrophobicContact CD1-CG 4.39Å; I220-P304 HydrophobicContact CG1-CB 4.38Å; I220-P304 HydrophobicContact CG1-CG 4.04Å; I220-P304 HydrophobicContact CG2-CB 3.76Å; I220-P304 HydrophobicContact CG2-CG 3.99Å |
| 305 | K | 58.8 | Low | 77.4 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -149.4 | 170.2 | 175.3 | -61.8 | -175.1 | -170.2 | 169.8 | 0 | 111 | F2 M219 I220 D221 Y301 L303 G311 | F2-K305 HydrophobicContact CD2-CD 3.87Å; F2-K305 HydrophobicContact CE1-CD 4.32Å; F2-K305 HydrophobicContact CE2-CD 3.52Å; F2-K305 HydrophobicContact CZ-CD 3.84Å; M219-K305 WeakPolarHBondContact O-CE 3.11Å; M219-K305 PolarHBondContact O-NZ 3.19Å; I220-K305 VanDerWaalsContact CA-NZ 3.35Å; I220-K305 HydrophobicContact CG2-CD 4.1Å; I220-K305 HydrophobicContact CG2-CG 3.81Å; D221-K305 IonicContact OD1-NZ 4Å; D221-K305 PolarHBondContact OD1-NZ 3.37Å; Y301-K305 PolarHBondContact OH-O 3.2Å; L303-K305 VanDerWaalsContact C-N 3.27Å; L303-K305 WeakPolarHBondContact CB-O 3.4Å; L303-K305 PolarHBondContact O-N 2.95Å; K305-G311 WeakPolarHBondContact O-CA 3.37Å |
| 306 | S | 44.3 | Very low | 76.4 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -137.7 | 146.3 | -163.6 | 174.9 | 0 | 0 | 0 | 0 | 115.9 | M1 Y301 G311 | M1-S306 WeakPolarHBondContact CE-OG 3.34Å; M1-S306 VanDerWaalsContact CG-O 3.31Å; M1-S306 WeakPolarHBondContact CG-O 3.47Å; Y301-S306 WeakPolarHBondContact OH-CA 3.17Å; Y301-S306 WeakPolarHBondContact OH-CB 3.29Å; Y301-S306 PolarHBondContact OH-N 3.38Å; S306-G311 CarbonylContact C-O 3.59Å; S306-G311 VanDerWaalsContact C-O 3.23Å; S306-G311 PolarHBondContact N-O 2.89Å; S306-G311 CarbonylContact O-C 3.52Å; S306-G311 VanDerWaalsContact O-C 3.25Å | ||
| 307 | M | 47.7 | Very low | 75.5 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | cis | -162.9 | -156 | -6 | -102.1 | -53.4 | 101.7 | 0 | 0 | 112.7 | Y301 L303 N309 W310 L312 I313 L343 M346 | Y301-M307 HydrophobicContact CE2-CE 3.79Å; Y301-M307 HydrophobicContact CE2-CG 3.44Å; Y301-M307 VanDerWaalsContact CE2-CG 3.44Å; Y301-M307 HydrophobicContact CE2-SD 3.74Å; Y301-M307 WeakPolarHBondContact OH-CE 3.13Å; Y301-M307 WeakPolarHBondContact OH-CG 3.31Å; L303-M307 HydrophobicContact CB-CE 4.31Å; L303-M307 HydrophobicContact CD1-CE 3.52Å; L303-M307 HydrophobicContact CG-CE 4.14Å; M307-N309 CarbonylContact C-O 3.51Å; M307-N309 PolarHBondContact O-N 3.24Å; M307-N309 VanDerWaalsContact O-N 3.11Å; M307-W310 HydrophobicContact CE-CG 4.26Å; M307-L312 CarbonylContact O-C 3.1Å; M307-L312 PolarHBondContact O-N 2.86Å; M307-I313 VanDerWaalsContact CA-CG1 3.49Å; M307-I313 HydrophobicContact CB-CD1 3.65Å; M307-I313 HydrophobicContact CB-CG1 3.84Å; M307-I313 WeakPolarHBondContact O-CA 3.33Å; M307-I313 WeakPolarHBondContact O-CB 3.39Å; M307-I313 WeakPolarHBondContact O-CG1 3.24Å; M307-I313 PolarHBondContact O-N 2.81Å; M307-L343 HydrophobicContact CB-CD2 3.83Å; M307-L343 HydrophobicContact CG-CD2 4.06Å; M307-M346 HydrophobicContact CE-CE 4.32Å; M307-M346 HydrophobicContact CG-CB 4.37Å; M307-M346 HydrophobicContact SD-CB 3.52Å; M307-M346 VanDerWaalsContact SD-CB 3.52Å; M307-M346 HydrophobicContact SD-CE 4.36Å; M307-M346 HydrophobicContact SD-CG 3.54Å; M307-M346 VanDerWaalsContact SD-CG 3.54Å; M307-M346 HydrophobicContact SD-SD 4.22Å | ||
| 308 | E | 52.8 | Low | 74.4 | Confident | 8 Ų | 8 | 27.7 Ų | 27.7 | 4% | 0.037 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.7 | -92.3 | -160.4 | -155.3 | -154.5 | -170.4 | 0 | 0 | 114 | W310 I313 E342 H345 N350 K363 F898 | E308-W310 PolarHBondContact O-N 2.97Å; E308-I313 HydrophobicContact CB-CB 4.46Å; E308-I313 HydrophobicContact CB-CG1 4.06Å; E308-I313 HydrophobicContact CB-CG2 3.96Å; E308-E342 HydrophobicContact CB-CB 4.24Å; E308-E342 PolarHBondContact N-O 2.74Å; E308-H345 HydrophobicContact CG-CB 4.13Å; E308-N350 PolarHBondContact O-ND2 3.02Å; E308-N350 PolarHBondContact O-OD1 3Å; E308-K363 IonicContact OE1-NZ 2.78Å; E308-F898 WeakPolarHBondContact OE2-CD2 3.32Å; E308-F898 WeakPolarHBondContact OE2-CE2 3.28Å |
| 309 | N | 71 | Confident | 73.5 | Confident | 6 Ų | 6 | 26.2 Ų | 26.2 | 3% | 0.032 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 110.5 | 162.5 | -54.8 | -60.1 | 0 | 0 | 0 | 106 | L246 A248 M307 G311 L312 | L246-N309 CarbonylContact O-C 3.52Å; L246-N309 WeakPolarHBondContact O-CA 3.41Å; L246-N309 VanDerWaalsContact O-CB 3.28Å; L246-N309 WeakPolarHBondContact O-CB 3.43Å; A248-N309 HydrophobicContact CB-CB 3.31Å; A248-N309 VanDerWaalsContact CB-CG 3.43Å; A248-N309 WeakPolarHBondContact CB-ND2 3.34Å; M307-N309 CarbonylContact C-O 3.51Å; M307-N309 PolarHBondContact O-N 3.24Å; M307-N309 VanDerWaalsContact O-N 3.11Å; N309-G311 CarbonylContact O-C 3.58Å; N309-G311 PolarHBondContact O-N 3.02Å; N309-L312 WeakPolarHBondContact CB-O 3.33Å; N309-L312 PolarHBondContact ND2-O 3.14Å; N309-L312 CarbonylContact O-C 3.39Å; N309-L312 PolarHBondContact O-N 3.38Å |
| 310 | W | 73.1 | Confident | 73.2 | Confident | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.008 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | 94.1 | -155.1 | -157.4 | 20.8 | 0 | 0 | 0 | 113 | N218 P240 I241 M242 L246 L303 M307 E308 N350 Y459 | N218-W310 VanDerWaalsContact CB-O 3.28Å; N218-W310 WeakPolarHBondContact CB-O 3.44Å; N218-W310 PolarHBondContact ND2-N 3.49Å; N218-W310 PolarHBondContact ND2-O 3.26Å; P240-W310 HydrophobicContact CB-CE3 4.43Å; P240-W310 HydrophobicContact CB-CH2 3.85Å; P240-W310 HydrophobicContact CB-CZ2 4.3Å; P240-W310 HydrophobicContact CB-CZ3 3.92Å; P240-W310 HydrophobicContact CG-CE3 4.46Å; P240-W310 HydrophobicContact CG-CH2 4.23Å; P240-W310 HydrophobicContact CG-CZ2 4.21Å; P240-W310 HydrophobicContact CG-CZ3 4.35Å; I241-W310 WeakPolarHBondContact O-CZ3 3.36Å; M242-W310 HydrophobicContact CB-CE3 3.39Å; M242-W310 HydrophobicContact CB-CZ3 3.5Å; M242-W310 VanDerWaalsContact CB-CZ3 3.5Å; M242-W310 HydrophobicContact CG-CE3 4.26Å; M242-W310 HydrophobicContact SD-CB 4.19Å; M242-W310 HydrophobicContact SD-CE3 3.87Å; L246-W310 PolarHBondContact O-N 3.11Å; L303-W310 HydrophobicContact CD1-CB 4.27Å; L303-W310 HydrophobicContact CD1-CD2 4.18Å; L303-W310 HydrophobicContact CD1-CG 3.6Å; M307-W310 HydrophobicContact CE-CG 4.26Å; E308-W310 PolarHBondContact O-N 2.97Å; W310-N350 HydrophobicContact CD2-CB 4.26Å; W310-N350 HydrophobicContact CG-CB 4.26Å; W310-Y459 AromaticContact CH2-CD1 3.46Å; W310-Y459 HydrophobicContact CH2-CD1 3.46Å; W310-Y459 VanDerWaalsContact CH2-CD1 3.46Å; W310-Y459 AromaticContact CH2-CE1 3.34Å; W310-Y459 HydrophobicContact CH2-CE1 3.34Å; W310-Y459 HydrophobicContact CZ2-CD1 4.26Å; W310-Y459 AromaticContact CZ2-CE1 3.71Å; W310-Y459 HydrophobicContact CZ2-CE1 3.71Å; W310-Y459 HydrophobicContact CZ3-CD1 4.31Å; W310-Y459 HydrophobicContact CZ3-CE1 4.41Å |
| 311 | G | 85.8 | Confident | 73.2 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 110.1 | -2.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | N218 K305 S306 N309 | N218-G311 CarbonylContact O-C 3.51Å; N218-G311 VanDerWaalsContact O-CA 3.31Å; N218-G311 WeakPolarHBondContact O-CA 3.5Å; K305-G311 WeakPolarHBondContact O-CA 3.37Å; S306-G311 CarbonylContact C-O 3.59Å; S306-G311 VanDerWaalsContact C-O 3.23Å; S306-G311 PolarHBondContact N-O 2.89Å; S306-G311 CarbonylContact O-C 3.52Å; S306-G311 VanDerWaalsContact O-C 3.25Å; N309-G311 CarbonylContact O-C 3.58Å; N309-G311 PolarHBondContact O-N 3.02Å |
| 312 | L | 91 | Very high | 73.6 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.088 | C | C | . | . | trans | -153.6 | 97.5 | -177.4 | 174.6 | 58.8 | 0 | 0 | 0 | 112.4 | F2 L216 A248 I250 M307 N309 | F2-L312 HydrophobicContact CB-CD1 3.36Å; F2-L312 HydrophobicContact CD2-CD1 4.2Å; F2-L312 HydrophobicContact CG-CD1 4.27Å; L216-L312 HydrophobicContact CB-CD1 4.21Å; L216-L312 HydrophobicContact CB-CD2 4.16Å; L216-L312 HydrophobicContact CD1-CD1 4.4Å; A248-L312 HydrophobicContact CB-CB 4.49Å; A248-L312 HydrophobicContact CB-CD2 3.94Å; A248-L312 HydrophobicContact CB-CG 4.25Å; I250-L312 HydrophobicContact CD1-CD1 3.97Å; I250-L312 HydrophobicContact CD1-CD2 4.42Å; I250-L312 HydrophobicContact CD1-CG 4.39Å; I250-L312 HydrophobicContact CG1-CD2 4.2Å; M307-L312 CarbonylContact O-C 3.1Å; M307-L312 PolarHBondContact O-N 2.86Å; N309-L312 WeakPolarHBondContact CB-O 3.33Å; N309-L312 PolarHBondContact ND2-O 3.14Å; N309-L312 CarbonylContact O-C 3.39Å; N309-L312 PolarHBondContact O-N 3.38Å | ||
| 313 | I | 86.5 | Confident | 74.1 | Confident | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 129.2 | 179.5 | -48.8 | 162.9 | 0 | 0 | 0 | 109.8 | M1 F2 F3 M307 E308 Y315 E342 L343 F898 | M1-I313 HydrophobicContact CE-CD1 4.39Å; F2-I313 PolarHBondContact O-N 2.8Å; F3-I313 HydrophobicContact CD1-CB 4.19Å; F3-I313 HydrophobicContact CD1-CD1 4.22Å; F3-I313 HydrophobicContact CE1-CB 4.46Å; F3-I313 HydrophobicContact CE1-CD1 3.62Å; F3-I313 HydrophobicContact CE1-CG1 4.42Å; M307-I313 VanDerWaalsContact CA-CG1 3.49Å; M307-I313 HydrophobicContact CB-CD1 3.65Å; M307-I313 HydrophobicContact CB-CG1 3.84Å; M307-I313 WeakPolarHBondContact O-CA 3.33Å; M307-I313 WeakPolarHBondContact O-CB 3.39Å; M307-I313 WeakPolarHBondContact O-CG1 3.24Å; M307-I313 PolarHBondContact O-N 2.81Å; E308-I313 HydrophobicContact CB-CB 4.46Å; E308-I313 HydrophobicContact CB-CG1 4.06Å; E308-I313 HydrophobicContact CB-CG2 3.96Å; I313-Y315 HydrophobicContact CB-CD2 3.99Å; I313-Y315 HydrophobicContact CB-CE2 3.36Å; I313-Y315 HydrophobicContact CD1-CE2 3.99Å; I313-Y315 WeakPolarHBondContact CD1-OH 3.01Å; I313-Y315 HydrophobicContact CG1-CE2 4.15Å; I313-Y315 HydrophobicContact CG2-CD2 3.61Å; I313-Y315 HydrophobicContact CG2-CE1 4.37Å; I313-Y315 HydrophobicContact CG2-CE2 3.03Å; I313-Y315 HydrophobicContact CG2-CG 4.47Å; I313-E342 HydrophobicContact CD1-CB 3.74Å; I313-E342 HydrophobicContact CG1-CB 4.28Å; I313-E342 HydrophobicContact CG2-CB 3.97Å; I313-E342 HydrophobicContact CG2-CG 3.95Å; I313-L343 HydrophobicContact CD1-CD2 4.34Å; I313-F898 HydrophobicContact CG2-CE2 4.02Å; I313-F898 HydrophobicContact CG2-CZ 3.67Å |
| 314 | T | 84.7 | Confident | 74.5 | Confident | 11 Ų | 11 | 20.7 Ų | 20.7 | 7% | 0.067 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 127.8 | 173.4 | 45.5 | 0 | 0 | 0 | 0 | 110.8 | I250 F898 | I250-T314 HydrophobicContact CD1-CG2 3.72Å; I250-T314 HydrophobicContact CG1-CG2 4.38Å; T314-F898 WeakPolarHBondContact O-CD1 3.33Å; T314-F898 WeakPolarHBondContact O-CE1 3.25Å; T314-F898 WeakPolarHBondContact O-CZ 3.44Å |
| 315 | Y | 79.1 | Confident | 75.3 | Confident | 8 Ų | 8 | 21.9 Ų | 21.9 | 3% | 0.031 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 158 | 177.9 | -70.1 | -99.3 | 0 | 0 | 0 | 113 | F3 L4 I313 R319 L320 V338 I339 E342 F898 | F3-Y315 HydrophobicContact CB-CD2 4.47Å; F3-Y315 AromaticContact CD1-CD2 3.74Å; F3-Y315 HydrophobicContact CD1-CD2 3.74Å; F3-Y315 AromaticContact CD1-CE2 3.2Å; F3-Y315 HydrophobicContact CD1-CE2 3.2Å; F3-Y315 HydrophobicContact CE1-CD2 4.32Å; F3-Y315 AromaticContact CE1-CE2 3.37Å; F3-Y315 HydrophobicContact CE1-CE2 3.37Å; F3-Y315 AromaticContact CE1-CZ 3.85Å; F3-Y315 HydrophobicContact CG-CE2 4.38Å; L4-Y315 PolarHBondContact O-N 3.16Å; I313-Y315 HydrophobicContact CB-CD2 3.99Å; I313-Y315 HydrophobicContact CB-CE2 3.36Å; I313-Y315 HydrophobicContact CD1-CE2 3.99Å; I313-Y315 WeakPolarHBondContact CD1-OH 3.01Å; I313-Y315 HydrophobicContact CG1-CE2 4.15Å; I313-Y315 HydrophobicContact CG2-CD2 3.61Å; I313-Y315 HydrophobicContact CG2-CE1 4.37Å; I313-Y315 HydrophobicContact CG2-CE2 3.03Å; I313-Y315 HydrophobicContact CG2-CG 4.47Å; Y315-R319 HydrophobicContact CD1-CB 4.29Å; Y315-L320 HydrophobicContact CD1-CB 4.35Å; Y315-L320 HydrophobicContact CD1-CD1 4.49Å; Y315-L320 HydrophobicContact CD2-CD1 3.93Å; Y315-L320 HydrophobicContact CD2-CD2 4.27Å; Y315-L320 HydrophobicContact CE2-CD1 4.13Å; Y315-L320 HydrophobicContact CG-CB 4.03Å; Y315-L320 HydrophobicContact CG-CD1 4.12Å; Y315-L320 HydrophobicContact CG-CD2 4.36Å; Y315-L320 HydrophobicContact CG-CG 4.41Å; Y315-V338 HydrophobicContact CD1-CG1 3.78Å; Y315-V338 HydrophobicContact CE1-CG1 3.4Å; Y315-V338 VanDerWaalsContact CE1-CG1 3.4Å; Y315-I339 HydrophobicContact CE1-CG1 4.18Å; Y315-I339 WeakPolarHBondContact OH-CA 3.03Å; Y315-E342 HydrophobicContact CE1-CG 3.84Å; Y315-E342 WeakPolarHBondContact OH-CB 3.25Å; Y315-E342 VanDerWaalsContact OH-CG 3.32Å; Y315-E342 WeakPolarHBondContact OH-CG 3.4Å; Y315-F898 HydrophobicContact CD1-CE1 4.02Å; Y315-F898 AromaticContact CD1-CZ 3.99Å; Y315-F898 HydrophobicContact CD1-CZ 3.99Å; Y315-F898 HydrophobicContact CE1-CZ 4.08Å; Y315-F898 HydrophobicContact CG-CE1 4.26Å; Y315-F898 HydrophobicContact CG-CZ 4.29Å |
| 316 | R | 74.8 | Confident | 76 | Confident | 81 Ų | 81 | 24 Ų | 24 | 31% | 0.306 | 13% | 0.13 | S | C | . | . | trans | -76.2 | 146.2 | 156.2 | -65.9 | -175.4 | 178 | -141 | -2.7 | 109.4 | M318 R319 | R316-M318 VanDerWaalsContact C-N 3.31Å; R316-M318 PolarHBondContact O-N 3.24Å; R316-R319 HydrophobicContact CB-CG 4.37Å; R316-R319 WeakPolarHBondContact O-CB 3.32Å; R316-R319 PolarHBondContact O-N 3.34Å | ||
| 317 | E | 78 | Confident | 77.5 | Confident | 27 Ų | 27 | 24.8 Ų | 24.8 | 13% | 0.126 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -46.7 | -52.6 | -179.5 | -161 | 165.7 | 106.8 | 0 | 0 | 113.2 | V5 K275 R319 L320 L321 | V5-E317 HydrophobicContact CB-CB 4.36Å; V5-E317 HydrophobicContact CB-CG 4.46Å; V5-E317 HydrophobicContact CG1-CB 3.25Å; V5-E317 HydrophobicContact CG1-CG 3.52Å; V5-E317 VanDerWaalsContact CG1-OE2 3.3Å; V5-E317 WeakPolarHBondContact CG1-OE2 3.4Å; V5-E317 HydrophobicContact CG2-CB 4.25Å; V5-E317 HydrophobicContact CG2-CG 4.18Å; K275-E317 IonicContact NZ-OE1 2.86Å; K275-E317 PolarHBondContact NZ-OE1 3.14Å; K275-E317 IonicContact NZ-OE2 2.98Å; K275-E317 PolarHBondContact NZ-OE2 3.27Å; E317-R319 PolarHBondContact O-N 2.69Å; E317-L320 PolarHBondContact O-N 2.9Å; E317-L321 HydrophobicContact CG-CB 4.35Å; E317-L321 HydrophobicContact CG-CD1 3.5Å; E317-L321 HydrophobicContact CG-CG 3.96Å; E317-L321 PolarHBondContact O-N 2.71Å |
| 318 | M | 71.9 | Confident | 78.8 | Confident | 48 Ų | 48 | 24.8 Ų | 24.8 | 24% | 0.236 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -66.1 | -8.2 | -176.8 | -60.3 | -60.7 | -60.9 | 0 | 0 | 114.3 | R316 E811 | R316-M318 VanDerWaalsContact C-N 3.31Å; R316-M318 PolarHBondContact O-N 3.24Å; M318-E811 HydrophobicContact CE-CB 4Å; M318-E811 HydrophobicContact CE-CG 4.18Å |
| 319 | R | 76.3 | Confident | 80 | Confident | 22 Ų | 22 | 25.4 Ų | 25.4 | 8% | 0.083 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -107.2 | 3.4 | 179 | -65 | -56 | -160.1 | -177.4 | -1.7 | 112.8 | Y315 R316 E317 D334 V338 | Y315-R319 HydrophobicContact CD1-CB 4.29Å; R316-R319 HydrophobicContact CB-CG 4.37Å; R316-R319 WeakPolarHBondContact O-CB 3.32Å; R316-R319 PolarHBondContact O-N 3.34Å; E317-R319 PolarHBondContact O-N 2.69Å; R319-D334 IonicContact CZ-OD2 3.93Å; R319-D334 IonicContact NH1-OD2 3.62Å; R319-D334 PolarHBondContact NH1-OD2 2.7Å; R319-V338 HydrophobicContact CB-CG1 4.01Å |
| 320 | L | 85.9 | Confident | 80.3 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -136.8 | -45 | -175.2 | -178.2 | 70.1 | 0 | 0 | 0 | 112.6 | F3 V5 V269 A282 Y315 E317 I339 | F3-L320 HydrophobicContact CB-CD1 3.84Å; F3-L320 HydrophobicContact CB-CD2 3.55Å; F3-L320 HydrophobicContact CB-CG 4.3Å; F3-L320 HydrophobicContact CD1-CD1 3.9Å; F3-L320 HydrophobicContact CD2-CD1 4.45Å; F3-L320 HydrophobicContact CE1-CD1 4.23Å; F3-L320 HydrophobicContact CG-CD1 3.91Å; V5-L320 HydrophobicContact CG2-CD2 3.97Å; V269-L320 HydrophobicContact CG1-CD1 4.23Å; V269-L320 HydrophobicContact CG1-CD2 3.91Å; V269-L320 HydrophobicContact CG1-CG 4.04Å; A282-L320 HydrophobicContact CB-CD1 3.71Å; A282-L320 HydrophobicContact CB-CG 4.41Å; A282-L320 WeakPolarHBondContact CB-O 3.45Å; Y315-L320 HydrophobicContact CD1-CB 4.35Å; Y315-L320 HydrophobicContact CD1-CD1 4.49Å; Y315-L320 HydrophobicContact CD2-CD1 3.93Å; Y315-L320 HydrophobicContact CD2-CD2 4.27Å; Y315-L320 HydrophobicContact CE2-CD1 4.13Å; Y315-L320 HydrophobicContact CG-CB 4.03Å; Y315-L320 HydrophobicContact CG-CD1 4.12Å; Y315-L320 HydrophobicContact CG-CD2 4.36Å; Y315-L320 HydrophobicContact CG-CG 4.41Å; E317-L320 PolarHBondContact O-N 2.9Å; L320-I339 HydrophobicContact CD1-CD1 4.45Å |
| 321 | L | 88.9 | Confident | 80.5 | Confident | 10 Ų | 10 | 25.4 Ų | 25.4 | 5% | 0.052 | 14% | 0.142 | C | C | . | . | trans | -87 | 133.2 | -174.5 | -57.4 | -168.7 | 0 | 0 | 0 | 111.1 | V5 V269 T271 K275 Q278 E317 I335 | V5-L321 HydrophobicContact CG2-CD1 4.14Å; V5-L321 HydrophobicContact CG2-CD2 4.31Å; V5-L321 HydrophobicContact CG2-CG 4.02Å; V269-L321 HydrophobicContact CG1-CD2 4.5Å; T271-L321 WeakPolarHBondContact OG1-CD1 3.44Å; K275-L321 HydrophobicContact CB-CD1 3.93Å; K275-L321 HydrophobicContact CD-CD1 3.87Å; Q278-L321 HydrophobicContact CB-CB 3.87Å; Q278-L321 HydrophobicContact CB-CD1 4.4Å; Q278-L321 HydrophobicContact CB-CD2 4.38Å; Q278-L321 HydrophobicContact CB-CG 4.45Å; Q278-L321 WeakPolarHBondContact O-CA 3.12Å; E317-L321 HydrophobicContact CG-CB 4.35Å; E317-L321 HydrophobicContact CG-CD1 3.5Å; E317-L321 HydrophobicContact CG-CG 3.96Å; E317-L321 PolarHBondContact O-N 2.71Å; L321-I335 VanDerWaalsContact O-CD1 3.31Å; L321-I335 WeakPolarHBondContact O-CD1 3.37Å | ||
| 322 | F | 87.8 | Confident | 80.5 | Confident | 29 Ų | 29 | 28.5 Ų | 28.5 | 13% | 0.127 | 16% | 0.155 | C | C | . | . | trans | -120.9 | 119.1 | 176.5 | 174.5 | -103.4 | 0 | 0 | 0 | 109.8 | Q278 F281 P324 T327 K332 I335 | Q278-F322 VanDerWaalsContact CA-O 3.31Å; Q278-F322 WeakPolarHBondContact CA-O 3.36Å; Q278-F322 PolarHBondContact O-N 3.35Å; F281-F322 HydrophobicContact CB-CB 3.83Å; F281-F322 HydrophobicContact CB-CD1 3.85Å; F281-F322 HydrophobicContact CB-CG 4.09Å; F281-F322 HydrophobicContact CD1-CB 4Å; F281-F322 HydrophobicContact CD1-CG 4.29Å; F281-F322 HydrophobicContact CG-CB 4.21Å; F281-F322 HydrophobicContact CG-CD1 4.25Å; F281-F322 HydrophobicContact CG-CG 4.27Å; F322-P324 HydrophobicContact CD1-CG 4.26Å; F322-P324 HydrophobicContact CE1-CB 4.12Å; F322-P324 HydrophobicContact CE1-CG 3.77Å; F322-P324 HydrophobicContact CZ-CB 4.45Å; F322-T327 HydrophobicContact CD2-CG2 3.49Å; F322-T327 VanDerWaalsContact CD2-CG2 3.49Å; F322-T327 HydrophobicContact CE2-CG2 3.86Å; F322-K332 HydrophobicContact CD2-CB 3.94Å; F322-K332 HydrophobicContact CD2-CD 4.31Å; F322-K332 HydrophobicContact CD2-CG 3.97Å; F322-K332 HydrophobicContact CE1-CD 4.47Å; F322-K332 HydrophobicContact CE2-CB 3.78Å; F322-K332 HydrophobicContact CE2-CD 3.74Å; F322-K332 HydrophobicContact CE2-CG 3.85Å; F322-K332 HydrophobicContact CZ-CD 3.83Å; F322-K332 HydrophobicContact CZ-CG 4.39Å; F322-I335 HydrophobicContact CB-CD1 4.04Å | ||
| 323 | D | 85.2 | Confident | 80.3 | Confident | 35 Ų | 35 | 28.7 Ų | 28.7 | 19% | 0.187 | 16% | 0.156 | C | C | . | . | trans | -106.3 | 113.2 | 171 | 175.1 | -3.4 | 0 | 0 | 0 | 109.3 | Q278 S325 T326 T327 | Q278-D323 HydrophobicContact CG-CB 4.25Å; D323-S325 VanDerWaalsContact CG-OG 3.25Å; D323-S325 PolarHBondContact O-N 2.81Å; D323-S325 WeakPolarHBondContact OD1-CB 3.43Å; D323-S325 PolarHBondContact OD1-N 3.07Å; D323-S325 PolarHBondContact OD1-OG 3.48Å; D323-S325 PolarHBondContact OD2-OG 3.09Å; D323-T326 VanDerWaalsContact CB-OG1 3.29Å; D323-T326 WeakPolarHBondContact CB-OG1 3.35Å; D323-T326 PolarHBondContact O-N 3.01Å; D323-T326 VanDerWaalsContact O-N 3.14Å; D323-T326 PolarHBondContact OD2-OG1 3.2Å; D323-T327 PolarHBondContact N-OG1 2.75Å; D323-T327 WeakPolarHBondContact O-CB 3.45Å; D323-T327 PolarHBondContact O-N 3.4Å; D323-T327 PolarHBondContact O-OG1 3.15Å; D323-T327 VanDerWaalsContact O-OG1 3.09Å | ||
| 324 | P | 82.3 | Confident | 80.1 | Confident | 99 Ų | 99 | 28.9 Ų | 28.9 | 64% | 0.643 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -25.1 | -179.7 | -22.2 | 30.2 | 0 | 0 | 0 | 114.7 | F322 | F322-P324 HydrophobicContact CD1-CG 4.26Å; F322-P324 HydrophobicContact CE1-CB 4.12Å; F322-P324 HydrophobicContact CE1-CG 3.77Å; F322-P324 HydrophobicContact CZ-CB 4.45Å |
| 325 | S | 76.2 | Confident | 80.2 | Confident | 74 Ų | 74 | 28.3 Ų | 28.3 | 52% | 0.517 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -20.9 | -177 | 71 | 0 | 0 | 0 | 0 | 113.7 | D323 | D323-S325 VanDerWaalsContact CG-OG 3.25Å; D323-S325 PolarHBondContact O-N 2.81Å; D323-S325 WeakPolarHBondContact OD1-CB 3.43Å; D323-S325 PolarHBondContact OD1-N 3.07Å; D323-S325 PolarHBondContact OD1-OG 3.48Å; D323-S325 PolarHBondContact OD2-OG 3.09Å |
| 326 | T | 72.8 | Confident | 80.8 | Confident | 45 Ų | 45 | 28 Ų | 28 | 28% | 0.276 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -128.6 | -32 | -171.5 | 55.5 | 0 | 0 | 0 | 0 | 114.3 | D323 R766 | D323-T326 VanDerWaalsContact CB-OG1 3.29Å; D323-T326 WeakPolarHBondContact CB-OG1 3.35Å; D323-T326 PolarHBondContact O-N 3.01Å; D323-T326 VanDerWaalsContact O-N 3.14Å; D323-T326 PolarHBondContact OD2-OG1 3.2Å; T326-R766 PolarHBondContact O-NH1 3.44Å |
| 327 | T | 75.9 | Confident | 81.5 | Confident | 16 Ų | 16 | 24.3 Ų | 24.3 | 10% | 0.098 | 14% | 0.139 | C | C | . | . | trans | -79.4 | 130.4 | -172 | -54.4 | 0 | 0 | 0 | 0 | 111.8 | F322 D323 V331 | F322-T327 HydrophobicContact CD2-CG2 3.49Å; F322-T327 VanDerWaalsContact CD2-CG2 3.49Å; F322-T327 HydrophobicContact CE2-CG2 3.86Å; D323-T327 PolarHBondContact N-OG1 2.75Å; D323-T327 WeakPolarHBondContact O-CB 3.45Å; D323-T327 PolarHBondContact O-N 3.4Å; D323-T327 PolarHBondContact O-OG1 3.15Å; D323-T327 VanDerWaalsContact O-OG1 3.09Å; T327-V331 HydrophobicContact CG2-CB 3.63Å; T327-V331 HydrophobicContact CG2-CG1 3.54Å | ||
| 328 | S | 74.9 | Confident | 81.9 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -76.8 | 160.3 | -179.3 | 73.6 | 0 | 0 | 0 | 0 | 113.9 | V330 V331 K332 R766 T768 | S328-V330 PolarHBondContact O-N 3.16Å; S328-V331 PolarHBondContact O-N 2.91Å; S328-V331 VanDerWaalsContact O-N 3.11Å; S328-V331 WeakPolarHBondContact OG-CG2 3.48Å; S328-K332 PolarHBondContact O-N 2.76Å; S328-R766 VanDerWaalsContact CB-O 3.23Å; S328-R766 WeakPolarHBondContact CB-O 3.41Å; S328-T768 PolarHBondContact OG-OG1 3.48Å | ||
| 329 | A | 78.5 | Confident | 82.8 | Confident | 21 Ų | 21 | 20.8 Ų | 20.8 | 17% | 0.174 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -55.9 | -35.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | K332 Q333 T726 | A329-K332 WeakPolarHBondContact O-CB 3.44Å; A329-K332 PolarHBondContact O-N 2.85Å; A329-Q333 PolarHBondContact O-N 3.23Å; A329-T726 HydrophobicContact CB-CG2 4.09Å |
| 330 | V | 76.2 | Confident | 83.6 | Confident | 6 Ų | 6 | 19.8 Ų | 19.8 | 4% | 0.036 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -70.7 | -44.6 | 177.7 | -179.7 | 0 | 0 | 0 | 0 | 110.2 | S328 K332 Q333 D334 L727 A767 T768 | S328-V330 PolarHBondContact O-N 3.16Å; V330-K332 PolarHBondContact O-N 2.99Å; V330-Q333 CarbonylContact O-C 3.54Å; V330-Q333 WeakPolarHBondContact O-CB 2.85Å; V330-Q333 PolarHBondContact O-N 2.87Å; V330-Q333 VanDerWaalsContact O-N 3.11Å; V330-D334 WeakPolarHBondContact O-CB 2.89Å; V330-D334 PolarHBondContact O-N 3.26Å; V330-L727 HydrophobicContact CB-CD2 4.28Å; V330-L727 HydrophobicContact CG2-CD2 3.21Å; V330-L727 HydrophobicContact CG2-CG 4.46Å; V330-A767 HydrophobicContact CG2-CB 4.14Å; V330-T768 WeakPolarHBondContact CB-O 3.36Å; V330-T768 HydrophobicContact CG1-CG2 4.41Å; V330-T768 WeakPolarHBondContact CG1-O 3.41Å; V330-T768 WeakPolarHBondContact CG2-O 3.21Å |
| 331 | V | 77.8 | Confident | 83.8 | Confident | 2 Ų | 2 | 19.9 Ų | 19.9 | 1% | 0.012 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.6 | -37.7 | 178.8 | 179.1 | 0 | 0 | 0 | 0 | 109.8 | T327 S328 D334 I335 T768 M777 | T327-V331 HydrophobicContact CG2-CB 3.63Å; T327-V331 HydrophobicContact CG2-CG1 3.54Å; S328-V331 PolarHBondContact O-N 2.91Å; S328-V331 VanDerWaalsContact O-N 3.11Å; S328-V331 WeakPolarHBondContact OG-CG2 3.48Å; V331-D334 PolarHBondContact O-N 3.02Å; V331-I335 HydrophobicContact CG1-CD1 4.12Å; V331-I335 HydrophobicContact CG1-CG1 4.46Å; V331-I335 VanDerWaalsContact O-CG1 3.24Å; V331-I335 WeakPolarHBondContact O-CG1 3.49Å; V331-I335 PolarHBondContact O-N 2.99Å; V331-T768 HydrophobicContact CG2-CG2 4.47Å; V331-M777 HydrophobicContact CB-CE 4.21Å; V331-M777 HydrophobicContact CG1-CE 3.86Å; V331-M777 HydrophobicContact CG2-CE 3.5Å; V331-M777 VanDerWaalsContact CG2-CE 3.5Å |
| 332 | K | 85.4 | Confident | 83.8 | Confident | 64 Ų | 64 | 19.4 Ų | 19.4 | 28% | 0.278 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -60.6 | -47 | 171.7 | -171.1 | -178.8 | -179 | 173.9 | 0 | 112.9 | F281 F322 S328 A329 V330 D334 I335 A336 | F281-K332 HydrophobicContact CD1-CG 4.31Å; F281-K332 HydrophobicContact CE1-CG 3.72Å; F281-K332 WeakPolarHBondContact CE1-O 3.46Å; F281-K332 HydrophobicContact CE2-CD 4.3Å; F281-K332 HydrophobicContact CE2-CG 3.99Å; F281-K332 HydrophobicContact CZ-CD 4.31Å; F281-K332 HydrophobicContact CZ-CG 3.54Å; F322-K332 HydrophobicContact CD2-CB 3.94Å; F322-K332 HydrophobicContact CD2-CD 4.31Å; F322-K332 HydrophobicContact CD2-CG 3.97Å; F322-K332 HydrophobicContact CE1-CD 4.47Å; F322-K332 HydrophobicContact CE2-CB 3.78Å; F322-K332 HydrophobicContact CE2-CD 3.74Å; F322-K332 HydrophobicContact CE2-CG 3.85Å; F322-K332 HydrophobicContact CZ-CD 3.83Å; F322-K332 HydrophobicContact CZ-CG 4.39Å; S328-K332 PolarHBondContact O-N 2.76Å; A329-K332 WeakPolarHBondContact O-CB 3.44Å; A329-K332 PolarHBondContact O-N 2.85Å; V330-K332 PolarHBondContact O-N 2.99Å; K332-D334 VanDerWaalsContact C-N 3.34Å; K332-I335 PolarHBondContact O-N 3.12Å; K332-A336 PolarHBondContact O-N 2.88Å |
| 333 | Q | 88.1 | Confident | 84 | Confident | 4 Ų | 4 | 18 Ų | 18 | 2% | 0.019 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -58.2 | -46.9 | 173.2 | 178.2 | -173 | -74.1 | 0 | 0 | 110.9 | A329 V330 I335 A336 V337 Y382 I384 H723 | A329-Q333 PolarHBondContact O-N 3.23Å; V330-Q333 CarbonylContact O-C 3.54Å; V330-Q333 WeakPolarHBondContact O-CB 2.85Å; V330-Q333 PolarHBondContact O-N 2.87Å; V330-Q333 VanDerWaalsContact O-N 3.11Å; Q333-I335 PolarHBondContact O-N 3.21Å; Q333-A336 WeakPolarHBondContact O-CB 3.48Å; Q333-A336 PolarHBondContact O-N 3.4Å; Q333-A336 VanDerWaalsContact O-N 3.13Å; Q333-V337 HydrophobicContact CG-CG2 4.35Å; Q333-V337 WeakPolarHBondContact O-CG2 3.28Å; Q333-V337 PolarHBondContact O-N 3.36Å; Q333-Y382 HydrophobicContact CB-CD2 4.19Å; Q333-Y382 HydrophobicContact CB-CE2 4.1Å; Q333-Y382 HydrophobicContact CG-CD2 3.93Å; Q333-Y382 HydrophobicContact CG-CE2 4.3Å; Q333-Y382 HydrophobicContact CG-CG 4.4Å; Q333-I384 HydrophobicContact CG-CD1 4.02Å; Q333-I384 VanDerWaalsContact NE2-CD1 3.3Å; Q333-H723 PolarHBondContact OE1-NE2 2.99Å |
| 334 | D | 81.4 | Confident | 84.4 | Confident | 4 Ų | 4 | 16.4 Ų | 16.4 | 2% | 0.021 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.6 | -41.6 | 179.7 | -94.4 | 6.4 | 0 | 0 | 0 | 111.5 | R319 V330 V331 K332 A336 V337 V338 | R319-D334 IonicContact CZ-OD2 3.93Å; R319-D334 IonicContact NH1-OD2 3.62Å; R319-D334 PolarHBondContact NH1-OD2 2.7Å; V330-D334 WeakPolarHBondContact O-CB 2.89Å; V330-D334 PolarHBondContact O-N 3.26Å; V331-D334 PolarHBondContact O-N 3.02Å; K332-D334 VanDerWaalsContact C-N 3.34Å; D334-A336 VanDerWaalsContact C-N 3.3Å; D334-A336 PolarHBondContact O-N 3.39Å; D334-V337 PolarHBondContact O-N 2.74Å; D334-V338 WeakPolarHBondContact O-CB 3.31Å; D334-V338 WeakPolarHBondContact O-CG2 3.43Å; D334-V338 PolarHBondContact O-N 2.69Å |
| 335 | I | 85.9 | Confident | 84.9 | Confident | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -58.3 | -44.7 | 174.1 | -70.6 | 163.9 | 0 | 0 | 0 | 110 | F281 L321 F322 V331 K332 Q333 V338 I339 | F281-I335 HydrophobicContact CD1-CB 4.44Å; F281-I335 HydrophobicContact CD1-CG2 3.85Å; F281-I335 HydrophobicContact CE1-CB 4.06Å; F281-I335 HydrophobicContact CE1-CG2 3.78Å; L321-I335 VanDerWaalsContact O-CD1 3.31Å; L321-I335 WeakPolarHBondContact O-CD1 3.37Å; F322-I335 HydrophobicContact CB-CD1 4.04Å; V331-I335 HydrophobicContact CG1-CD1 4.12Å; V331-I335 HydrophobicContact CG1-CG1 4.46Å; V331-I335 VanDerWaalsContact O-CG1 3.24Å; V331-I335 WeakPolarHBondContact O-CG1 3.49Å; V331-I335 PolarHBondContact O-N 2.99Å; K332-I335 PolarHBondContact O-N 3.12Å; Q333-I335 PolarHBondContact O-N 3.21Å; I335-V338 PolarHBondContact O-N 3.01Å; I335-I339 HydrophobicContact CG2-CD1 3.59Å; I335-I339 HydrophobicContact CG2-CG1 4.42Å; I335-I339 WeakPolarHBondContact O-CB 3.43Å; I335-I339 WeakPolarHBondContact O-CD1 3.17Å; I335-I339 VanDerWaalsContact O-CG1 3.23Å; I335-I339 WeakPolarHBondContact O-CG1 3.12Å; I335-I339 PolarHBondContact O-N 3.45Å |
| 336 | A | 92 | Very high | 85.6 | Confident | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -63.6 | -47.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | F281 F285 K332 Q333 D334 V338 I339 A340 V375 F379 | F281-A336 HydrophobicContact CZ-CB 4.27Å; F285-A336 HydrophobicContact CD1-CB 4.15Å; F285-A336 HydrophobicContact CD2-CB 4.05Å; F285-A336 HydrophobicContact CE1-CB 4.03Å; F285-A336 WeakPolarHBondContact CE1-O 3.33Å; F285-A336 HydrophobicContact CE2-CB 3.88Å; F285-A336 HydrophobicContact CG-CB 4.16Å; F285-A336 HydrophobicContact CZ-CB 3.88Å; F285-A336 WeakPolarHBondContact CZ-O 3.32Å; K332-A336 PolarHBondContact O-N 2.88Å; Q333-A336 WeakPolarHBondContact O-CB 3.48Å; Q333-A336 PolarHBondContact O-N 3.4Å; Q333-A336 VanDerWaalsContact O-N 3.13Å; D334-A336 VanDerWaalsContact C-N 3.3Å; D334-A336 PolarHBondContact O-N 3.39Å; A336-V338 VanDerWaalsContact C-N 3.32Å; A336-V338 PolarHBondContact O-N 3.37Å; A336-I339 PolarHBondContact O-N 3.01Å; A336-A340 WeakPolarHBondContact O-CB 3.45Å; A336-A340 PolarHBondContact O-N 3.11Å; A336-V375 HydrophobicContact CB-CG2 4.19Å; A336-F379 HydrophobicContact CB-CD2 4.27Å; A336-F379 HydrophobicContact CB-CE2 4.14Å |
| 337 | V | 90.5 | Very high | 86.6 | Confident | 4 Ų | 4 | 6.3 Ų | 6.3 | 2% | 0.024 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -57.7 | -46.4 | 177.5 | 169.4 | 0 | 0 | 0 | 0 | 111.3 | Q333 D334 A340 H341 E371 V375 I384 | Q333-V337 HydrophobicContact CG-CG2 4.35Å; Q333-V337 WeakPolarHBondContact O-CG2 3.28Å; Q333-V337 PolarHBondContact O-N 3.36Å; D334-V337 PolarHBondContact O-N 2.74Å; V337-A340 PolarHBondContact O-N 3.45Å; V337-H341 PolarHBondContact O-N 3.38Å; V337-E371 HydrophobicContact CG1-CB 4.43Å; V337-E371 HydrophobicContact CG1-CG 3.86Å; V337-E371 WeakPolarHBondContact CG1-OE1 3.45Å; V337-V375 HydrophobicContact CG2-CG1 4.44Å; V337-V375 HydrophobicContact CG2-CG2 4.09Å; V337-I384 HydrophobicContact CG2-CD1 4.08Å; V337-I384 HydrophobicContact CG2-CG1 4.21Å |
| 338 | V | 85.6 | Confident | 87.5 | Confident | 2 Ų | 2 | 5.7 Ų | 5.7 | 1% | 0.012 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -63.6 | -49.9 | 179.5 | 158.5 | 0 | 0 | 0 | 0 | 110.7 | Y315 R319 D334 I335 A336 A340 H341 E342 V897 | Y315-V338 HydrophobicContact CD1-CG1 3.78Å; Y315-V338 HydrophobicContact CE1-CG1 3.4Å; Y315-V338 VanDerWaalsContact CE1-CG1 3.4Å; R319-V338 HydrophobicContact CB-CG1 4.01Å; D334-V338 WeakPolarHBondContact O-CB 3.31Å; D334-V338 WeakPolarHBondContact O-CG2 3.43Å; D334-V338 PolarHBondContact O-N 2.69Å; I335-V338 PolarHBondContact O-N 3.01Å; A336-V338 VanDerWaalsContact C-N 3.32Å; A336-V338 PolarHBondContact O-N 3.37Å; V338-A340 VanDerWaalsContact C-N 3.27Å; V338-A340 PolarHBondContact O-N 2.7Å; V338-H341 VanDerWaalsContact O-CB 3.29Å; V338-H341 WeakPolarHBondContact O-CB 3.43Å; V338-H341 PolarHBondContact O-N 2.96Å; V338-H341 VanDerWaalsContact O-N 3.15Å; V338-E342 WeakPolarHBondContact O-CG 3.13Å; V338-E342 PolarHBondContact O-N 2.69Å; V338-E342 VanDerWaalsContact O-N 3.12Å; V338-V897 HydrophobicContact CB-CG1 3.62Å; V338-V897 HydrophobicContact CG1-CG1 3.1Å; V338-V897 HydrophobicContact CG2-CB 4.25Å; V338-V897 HydrophobicContact CG2-CG1 3.4Å; V338-V897 HydrophobicContact CG2-CG2 3.91Å |
| 339 | I | 90.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -60.4 | -38.8 | 177.6 | -67.7 | 165.8 | 0 | 0 | 0 | 111.6 | A282 F285 A286 Y315 L320 I335 A336 E342 L343 | A282-I339 HydrophobicContact CB-CD1 3.45Å; A282-I339 VanDerWaalsContact CB-CD1 3.45Å; F285-I339 HydrophobicContact CD1-CB 3.79Å; F285-I339 HydrophobicContact CD1-CD1 4.31Å; F285-I339 HydrophobicContact CD1-CG2 3.66Å; F285-I339 HydrophobicContact CE1-CB 3.93Å; F285-I339 HydrophobicContact CE1-CG2 3.94Å; A286-I339 HydrophobicContact CB-CG2 4.07Å; Y315-I339 HydrophobicContact CE1-CG1 4.18Å; Y315-I339 WeakPolarHBondContact OH-CA 3.03Å; L320-I339 HydrophobicContact CD1-CD1 4.45Å; I335-I339 HydrophobicContact CG2-CD1 3.59Å; I335-I339 HydrophobicContact CG2-CG1 4.42Å; I335-I339 WeakPolarHBondContact O-CB 3.43Å; I335-I339 WeakPolarHBondContact O-CD1 3.17Å; I335-I339 VanDerWaalsContact O-CG1 3.23Å; I335-I339 WeakPolarHBondContact O-CG1 3.12Å; I335-I339 PolarHBondContact O-N 3.45Å; A336-I339 PolarHBondContact O-N 3.01Å; I339-E342 PolarHBondContact O-N 2.8Å; I339-L343 HydrophobicContact CG2-CD1 3.73Å; I339-L343 HydrophobicContact CG2-CG 4.23Å; I339-L343 WeakPolarHBondContact O-CB 3.25Å; I339-L343 WeakPolarHBondContact O-CG 3.14Å; I339-L343 PolarHBondContact O-N 3.22Å |
| 340 | A | 93.3 | Very high | 89 | Confident | 0 Ų | 0 | 4.7 Ų | 4.7 | 0% | 0 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -63.4 | -42.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | F285 Y293 A336 V337 V338 E342 L343 A344 E371 C374 V375 | F285-A340 HydrophobicContact CE1-CB 4.04Å; F285-A340 HydrophobicContact CZ-CB 4.03Å; Y293-A340 PolarHBondContact OH-O 2.84Å; A336-A340 WeakPolarHBondContact O-CB 3.45Å; A336-A340 PolarHBondContact O-N 3.11Å; V337-A340 PolarHBondContact O-N 3.45Å; V338-A340 VanDerWaalsContact C-N 3.27Å; V338-A340 PolarHBondContact O-N 2.7Å; A340-E342 PolarHBondContact O-N 3.29Å; A340-L343 PolarHBondContact O-N 2.85Å; A340-A344 WeakPolarHBondContact O-CB 3.49Å; A340-A344 PolarHBondContact O-N 2.75Å; A340-E371 HydrophobicContact CB-CB 4.03Å; A340-C374 HydrophobicContact CB-CB 4.2Å; A340-V375 HydrophobicContact CB-CG2 4.01Å |
| 341 | H | 91.4 | Very high | 89.9 | Confident | 2 Ų | 2 | 4.7 Ų | 4.7 | 1% | 0.009 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -54 | -52.3 | 174.2 | -169.5 | 90.5 | 0 | 0 | 0 | 111.6 | V337 V338 L343 A344 H345 E364 E371 V897 | V337-H341 PolarHBondContact O-N 3.38Å; V338-H341 VanDerWaalsContact O-CB 3.29Å; V338-H341 WeakPolarHBondContact O-CB 3.43Å; V338-H341 PolarHBondContact O-N 2.96Å; V338-H341 VanDerWaalsContact O-N 3.15Å; H341-L343 VanDerWaalsContact C-N 3.29Å; H341-L343 PolarHBondContact O-N 2.61Å; H341-A344 WeakPolarHBondContact O-CB 2.96Å; H341-A344 PolarHBondContact O-N 3.43Å; H341-A344 VanDerWaalsContact O-N 3.14Å; H341-H345 AromaticContact CD2-CD2 3.84Å; H341-H345 AromaticContact CD2-NE2 3.38Å; H341-H345 PolarHBondContact CD2-NE2 2.93Å; H341-H345 AromaticContact NE2-NE2 3.2Å; H341-H345 PolarHBondContact NE2-NE2 3.44Å; H341-H345 PolarHBondContact O-N 3.17Å; H341-E364 IonicContact CE1-OE2 3.26Å; H341-E364 IonicContact NE2-OE2 3.32Å; H341-E371 HydrophobicContact CB-CB 4.1Å; H341-E371 IonicContact CE1-OE2 3.32Å; H341-E371 IonicContact CG-OE2 2.96Å; H341-E371 IonicContact ND1-OE2 2.89Å; H341-E371 PolarHBondContact ND1-OE2 3.35Å; H341-V897 HydrophobicContact CB-CG2 4.22Å |
| 342 | E | 89 | Confident | 90.8 | Very high | 1 Ų | 1 | 4.8 Ų | 4.8 | 1% | 0.005 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -69.4 | -28.7 | -175.8 | -53.6 | -37.1 | 149.5 | 0 | 0 | 113.9 | E308 I313 Y315 V338 I339 A340 H345 V897 F898 | E308-E342 HydrophobicContact CB-CB 4.24Å; E308-E342 PolarHBondContact N-O 2.74Å; I313-E342 HydrophobicContact CD1-CB 3.74Å; I313-E342 HydrophobicContact CG1-CB 4.28Å; I313-E342 HydrophobicContact CG2-CB 3.97Å; I313-E342 HydrophobicContact CG2-CG 3.95Å; Y315-E342 HydrophobicContact CE1-CG 3.84Å; Y315-E342 WeakPolarHBondContact OH-CB 3.25Å; Y315-E342 VanDerWaalsContact OH-CG 3.32Å; Y315-E342 WeakPolarHBondContact OH-CG 3.4Å; V338-E342 WeakPolarHBondContact O-CG 3.13Å; V338-E342 PolarHBondContact O-N 2.69Å; V338-E342 VanDerWaalsContact O-N 3.12Å; I339-E342 PolarHBondContact O-N 2.8Å; A340-E342 PolarHBondContact O-N 3.29Å; E342-H345 IonicContact OE2-CD2 3.25Å; E342-H345 PolarHBondContact OE2-CD2 2.85Å; E342-V897 WeakPolarHBondContact OE1-CB 2.99Å; E342-V897 WeakPolarHBondContact OE1-CG1 3.48Å; E342-F898 VanDerWaalsContact CD-CZ 3.47Å; E342-F898 HydrophobicContact CG-CE2 3.52Å; E342-F898 HydrophobicContact CG-CZ 3.58Å; E342-F898 WeakPolarHBondContact OE1-CE2 3.46Å; E342-F898 WeakPolarHBondContact OE2-CE2 3.41Å |
| 343 | L | 91.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 1.7 Ų | 1.7 | 0% | 0 | 1% | 0.009 | C | C | . | . | H | α-helix | trans | -74.1 | -37.5 | 173.1 | -71.3 | 176.1 | 0 | 0 | 0 | 111.6 | M1 A286 A289 L290 Y293 M307 I313 I339 A340 H341 H345 M346 W347 | M1-L343 HydrophobicContact CE-CD2 3.74Å; A286-L343 HydrophobicContact CB-CD1 4.21Å; A289-L343 HydrophobicContact CB-CD1 3.6Å; L290-L343 HydrophobicContact CD2-CD2 3.88Å; L290-L343 HydrophobicContact CG-CD1 4.28Å; L290-L343 HydrophobicContact CG-CD2 4.14Å; Y293-L343 HydrophobicContact CD2-CB 4.06Å; Y293-L343 HydrophobicContact CE2-CB 3.7Å; M307-L343 HydrophobicContact CB-CD2 3.83Å; M307-L343 HydrophobicContact CG-CD2 4.06Å; I313-L343 HydrophobicContact CD1-CD2 4.34Å; I339-L343 HydrophobicContact CG2-CD1 3.73Å; I339-L343 HydrophobicContact CG2-CG 4.23Å; I339-L343 WeakPolarHBondContact O-CB 3.25Å; I339-L343 WeakPolarHBondContact O-CG 3.14Å; I339-L343 PolarHBondContact O-N 3.22Å; A340-L343 PolarHBondContact O-N 2.85Å; H341-L343 VanDerWaalsContact C-N 3.29Å; H341-L343 PolarHBondContact O-N 2.61Å; L343-H345 PolarHBondContact O-N 2.68Å; L343-M346 VanDerWaalsContact O-CB 3.31Å; L343-M346 WeakPolarHBondContact O-CB 2.88Å; L343-M346 PolarHBondContact O-N 3.25Å; L343-M346 VanDerWaalsContact O-N 3.1Å; L343-W347 WeakPolarHBondContact O-CZ3 3.29Å |
| 344 | A | 92.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 1.6 Ų | 1.6 | 0% | 0 | 1% | 0.009 | C | C | . | . | H | α-helix | trans | -60.7 | -29.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y293 A340 H341 M346 W347 F348 A367 M370 | Y293-A344 HydrophobicContact CE1-CB 4.36Å; A340-A344 WeakPolarHBondContact O-CB 3.49Å; A340-A344 PolarHBondContact O-N 2.75Å; H341-A344 WeakPolarHBondContact O-CB 2.96Å; H341-A344 PolarHBondContact O-N 3.43Å; H341-A344 VanDerWaalsContact O-N 3.14Å; A344-M346 PolarHBondContact O-N 2.75Å; A344-M346 VanDerWaalsContact O-N 3.11Å; A344-W347 PolarHBondContact O-N 2.75Å; A344-F348 PolarHBondContact O-N 3.17Å; A344-F348 VanDerWaalsContact O-N 3.13Å; A344-A367 HydrophobicContact CB-CB 4.15Å; A344-M370 HydrophobicContact CB-CB 3.96Å |
| 345 | H | 92.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 3.4 Ų | 3.4 | 0% | 0 | 2% | 0.017 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -19.1 | 176 | -77.8 | -42.8 | 0 | 0 | 0 | 114.8 | E308 H341 E342 L343 W347 F348 N350 K363 E364 A367 | E308-H345 HydrophobicContact CG-CB 4.13Å; H341-H345 AromaticContact CD2-CD2 3.84Å; H341-H345 AromaticContact CD2-NE2 3.38Å; H341-H345 PolarHBondContact CD2-NE2 2.93Å; H341-H345 AromaticContact NE2-NE2 3.2Å; H341-H345 PolarHBondContact NE2-NE2 3.44Å; H341-H345 PolarHBondContact O-N 3.17Å; E342-H345 IonicContact OE2-CD2 3.25Å; E342-H345 PolarHBondContact OE2-CD2 2.85Å; L343-H345 PolarHBondContact O-N 2.68Å; H345-W347 VanDerWaalsContact C-N 3.26Å; H345-W347 PolarHBondContact O-N 2.99Å; H345-F348 CarbonylContact C-O 3.58Å; H345-F348 WeakPolarHBondContact CA-O 3.3Å; H345-F348 PolarHBondContact ND1-O 3.2Å; H345-F348 CarbonylContact O-C 3.52Å; H345-F348 PolarHBondContact O-N 3.44Å; H345-F348 VanDerWaalsContact O-O 3.11Å; H345-N350 WeakPolarHBondContact O-CB 3.39Å; H345-N350 PolarHBondContact O-N 3.35Å; H345-N350 PolarHBondContact O-ND2 3.4Å; H345-N350 PolarHBondContact O-OD1 2.91Å; H345-K363 VanDerWaalsContact CE1-CE 3.41Å; H345-K363 WeakPolarHBondContact CE1-CE 3.46Å; H345-K363 WeakPolarHBondContact CE1-CG 3.45Å; H345-K363 WeakPolarHBondContact ND1-CE 3.34Å; H345-K363 WeakPolarHBondContact ND1-CG 3.18Å; H345-E364 IonicContact CE1-OE1 3.81Å; H345-E364 IonicContact CE1-OE2 2.73Å; H345-E364 IonicContact NE2-OE2 2.96Å; H345-A367 WeakPolarHBondContact CE1-CB 3.29Å |
| 346 | M | 90.8 | Very high | 92.7 | Very high | 6 Ų | 6 | 4.2 Ų | 4.2 | 3% | 0.03 | 2% | 0.02 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -44.3 | 170.5 | -172.5 | -169.1 | -154.9 | 0 | 0 | 112.2 | Y301 M307 L343 A344 N350 L351 | Y301-M346 HydrophobicContact CD1-CE 4.1Å; Y301-M346 HydrophobicContact CD2-CE 3.23Å; Y301-M346 HydrophobicContact CD2-SD 3.05Å; Y301-M346 WeakPolarHBondContact CD2-SD 3.09Å; Y301-M346 HydrophobicContact CE1-CE 4.18Å; Y301-M346 HydrophobicContact CE2-CE 3.26Å; Y301-M346 HydrophobicContact CE2-CG 4.33Å; Y301-M346 HydrophobicContact CE2-SD 3.28Å; Y301-M346 WeakPolarHBondContact CE2-SD 3.45Å; Y301-M346 HydrophobicContact CG-CE 3.65Å; Y301-M346 HydrophobicContact CG-SD 3.94Å; M307-M346 HydrophobicContact CE-CE 4.32Å; M307-M346 HydrophobicContact CG-CB 4.37Å; M307-M346 HydrophobicContact SD-CB 3.52Å; M307-M346 VanDerWaalsContact SD-CB 3.52Å; M307-M346 HydrophobicContact SD-CE 4.36Å; M307-M346 HydrophobicContact SD-CG 3.54Å; M307-M346 VanDerWaalsContact SD-CG 3.54Å; M307-M346 HydrophobicContact SD-SD 4.22Å; L343-M346 VanDerWaalsContact O-CB 3.31Å; L343-M346 WeakPolarHBondContact O-CB 2.88Å; L343-M346 PolarHBondContact O-N 3.25Å; L343-M346 VanDerWaalsContact O-N 3.1Å; A344-M346 PolarHBondContact O-N 2.75Å; A344-M346 VanDerWaalsContact O-N 3.11Å; M346-N350 WeakPolarHBondContact O-CB 3.32Å; M346-L351 WeakPolarHBondContact O-CB 3.45Å; M346-L351 PolarHBondContact O-N 2.89Å |
| 347 | W | 94.5 | Very high | 92.7 | Very high | 1 Ų | 1 | 4.3 Ų | 4.3 | 0% | 0.004 | 2% | 0.02 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -39.1 | -179.5 | -66.3 | -90.4 | 0 | 0 | 0 | 110.9 | L290 Y293 F297 I299 L343 A344 H345 V352 L454 | L290-W347 HydrophobicContact CD2-CH2 4.43Å; Y293-W347 HydrophobicContact CD2-CH2 4.33Å; Y293-W347 AromaticContact CD2-CZ3 3.77Å; Y293-W347 HydrophobicContact CD2-CZ3 3.77Å; Y293-W347 HydrophobicContact CG-CE3 4.26Å; Y293-W347 HydrophobicContact CG-CH2 4.08Å; Y293-W347 AromaticContact CG-CZ3 3.67Å; Y293-W347 HydrophobicContact CG-CZ3 3.67Å; F297-W347 HydrophobicContact CB-CG 4.43Å; F297-W347 HydrophobicContact CD2-CB 4.23Å; F297-W347 AromaticContact CD2-CD1 3.77Å; F297-W347 AromaticContact CD2-CD2 3.34Å; F297-W347 HydrophobicContact CD2-CD2 3.34Å; F297-W347 AromaticContact CD2-CE2 3.56Å; F297-W347 AromaticContact CD2-CE3 3.81Å; F297-W347 HydrophobicContact CD2-CE3 3.81Å; F297-W347 AromaticContact CD2-CG 3.52Å; F297-W347 HydrophobicContact CD2-CG 3.52Å; F297-W347 HydrophobicContact CD2-CZ2 4.21Å; F297-W347 HydrophobicContact CD2-CZ3 4.45Å; F297-W347 AromaticContact CD2-NE1 3.75Å; F297-W347 HydrophobicContact CE2-CB 4.25Å; F297-W347 AromaticContact CE2-CD2 3.7Å; F297-W347 HydrophobicContact CE2-CD2 3.7Å; F297-W347 AromaticContact CE2-CE3 3.73Å; F297-W347 HydrophobicContact CE2-CE3 3.73Å; F297-W347 AromaticContact CE2-CG 3.93Å; F297-W347 HydrophobicContact CE2-CG 3.93Å; F297-W347 HydrophobicContact CE2-CZ3 4.43Å; F297-W347 AromaticContact CG-CD1 3.95Å; F297-W347 HydrophobicContact CG-CD2 4.28Å; F297-W347 HydrophobicContact CG-CG 4.05Å; I299-W347 PolarHBondContact O-NE1 3.23Å; L343-W347 WeakPolarHBondContact O-CZ3 3.29Å; A344-W347 PolarHBondContact O-N 2.75Å; H345-W347 VanDerWaalsContact C-N 3.26Å; H345-W347 PolarHBondContact O-N 2.99Å; W347-V352 PolarHBondContact O-N 3Å; W347-L454 HydrophobicContact CB-CD1 4.01Å; W347-L454 HydrophobicContact CB-CD2 3.91Å; W347-L454 HydrophobicContact CG-CD1 4.26Å; W347-L454 VanDerWaalsContact O-CD2 3.31Å; W347-L454 WeakPolarHBondContact O-CD2 3.21Å |
| 348 | F | 93.7 | Very high | 92.8 | Very high | 2 Ų | 2 | 5.6 Ų | 5.6 | 1% | 0.009 | 3% | 0.029 | C | C | . | . | B | Isolated β-bridge | trans | -110.1 | 106.4 | -176.8 | -58.9 | -77.5 | 0 | 0 | 0 | 112.1 | F297 A344 H345 F366 M370 L450 Y453 L454 | F297-F348 AromaticContact CE1-CE2 3.67Å; F297-F348 HydrophobicContact CE1-CE2 3.67Å; F297-F348 AromaticContact CE1-CZ 3.89Å; F297-F348 HydrophobicContact CE1-CZ 3.89Å; F297-F348 HydrophobicContact CE2-CE2 4.39Å; F297-F348 HydrophobicContact CZ-CD2 4.46Å; F297-F348 AromaticContact CZ-CE2 3.52Å; F297-F348 HydrophobicContact CZ-CE2 3.52Å; F297-F348 HydrophobicContact CZ-CZ 4.22Å; A344-F348 PolarHBondContact O-N 3.17Å; A344-F348 VanDerWaalsContact O-N 3.13Å; H345-F348 CarbonylContact C-O 3.58Å; H345-F348 WeakPolarHBondContact CA-O 3.3Å; H345-F348 PolarHBondContact ND1-O 3.2Å; H345-F348 CarbonylContact O-C 3.52Å; H345-F348 PolarHBondContact O-N 3.44Å; H345-F348 VanDerWaalsContact O-O 3.11Å; F348-F366 HydrophobicContact CB-CB 4.16Å; F348-F366 HydrophobicContact CD1-CB 3.56Å; F348-F366 HydrophobicContact CD1-CD1 4.23Å; F348-F366 HydrophobicContact CD1-CD2 4.33Å; F348-F366 AromaticContact CD1-CG 3.77Å; F348-F366 HydrophobicContact CD1-CG 3.77Å; F348-F366 HydrophobicContact CD2-CB 3.82Å; F348-F366 HydrophobicContact CE1-CB 3.81Å; F348-F366 AromaticContact CE1-CD1 3.6Å; F348-F366 HydrophobicContact CE1-CD1 3.6Å; F348-F366 HydrophobicContact CE1-CD2 4.32Å; F348-F366 HydrophobicContact CE1-CE1 4.31Å; F348-F366 AromaticContact CE1-CG 3.62Å; F348-F366 HydrophobicContact CE1-CG 3.62Å; F348-F366 HydrophobicContact CE2-CB 4.03Å; F348-F366 HydrophobicContact CE2-CD1 4.29Å; F348-F366 HydrophobicContact CE2-CG 4.49Å; F348-F366 HydrophobicContact CG-CB 3.57Å; F348-F366 HydrophobicContact CG-CG 4.29Å; F348-F366 HydrophobicContact CZ-CB 4.04Å; F348-F366 AromaticContact CZ-CD1 3.64Å; F348-F366 HydrophobicContact CZ-CD1 3.64Å; F348-F366 HydrophobicContact CZ-CE1 4.44Å; F348-F366 HydrophobicContact CZ-CG 4.01Å; F348-M370 HydrophobicContact CE2-CG 4.08Å; F348-L450 HydrophobicContact CE1-CD2 4.39Å; F348-L450 HydrophobicContact CZ-CD1 4.38Å; F348-L450 HydrophobicContact CZ-CD2 4.36Å; F348-Y453 HydrophobicContact CE1-CE1 4.48Å; F348-L454 HydrophobicContact CD1-CD2 4.39Å; F348-L454 HydrophobicContact CE1-CD2 4.15Å; F348-L454 HydrophobicContact CZ-CD1 4.42Å; F348-L454 HydrophobicContact CZ-CD2 4.49Å |
| 349 | G | 92.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 6.1 Ų | 6.1 | 1% | 0.01 | 3% | 0.031 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 112.8 | -42.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y245 V352 T353 | Y245-G349 WeakPolarHBondContact OH-CA 3.33Å; Y245-G349 PolarHBondContact OH-O 3.19Å; G349-V352 CarbonylContact C-O 3.52Å; G349-V352 WeakPolarHBondContact CA-O 3.25Å; G349-V352 PolarHBondContact N-O 3.13Å; G349-T353 WeakPolarHBondContact O-CA 3.28Å; G349-T353 WeakPolarHBondContact O-CB 3.41Å; G349-T353 WeakPolarHBondContact O-CG2 3.4Å; G349-T353 PolarHBondContact O-OG1 3.09Å |
| 350 | N | 93.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 3% | 0.031 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -73 | -176.8 | -55.4 | 2.8 | 0 | 0 | 0 | 112.2 | K200 L246 E308 W310 H345 M346 V352 T353 | K200-N350 PolarHBondContact NZ-O 3Å; L246-N350 HydrophobicContact CD1-CB 4.11Å; L246-N350 WeakPolarHBondContact CD2-OD1 3.33Å; E308-N350 PolarHBondContact O-ND2 3.02Å; E308-N350 PolarHBondContact O-OD1 3Å; W310-N350 HydrophobicContact CD2-CB 4.26Å; W310-N350 HydrophobicContact CG-CB 4.26Å; H345-N350 WeakPolarHBondContact O-CB 3.39Å; H345-N350 PolarHBondContact O-N 3.35Å; H345-N350 PolarHBondContact O-ND2 3.4Å; H345-N350 PolarHBondContact O-OD1 2.91Å; M346-N350 WeakPolarHBondContact O-CB 3.32Å; N350-V352 VanDerWaalsContact C-N 3.32Å; N350-V352 PolarHBondContact O-N 2.9Å; N350-T353 PolarHBondContact O-OG1 3.03Å |
| 351 | L | 94.6 | Very high | 93.4 | Very high | 6 Ų | 6 | 6.3 Ų | 6.3 | 3% | 0.031 | 3% | 0.032 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -45.1 | -179.4 | -177.2 | 65.4 | 0 | 0 | 0 | 110.4 | I299 M346 S458 Y459 | I299-L351 HydrophobicContact CD1-CD2 4.13Å; I299-L351 HydrophobicContact CG2-CD2 3.98Å; M346-L351 WeakPolarHBondContact O-CB 3.45Å; M346-L351 PolarHBondContact O-N 2.89Å; L351-S458 CarbonylContact O-C 3.59Å; L351-Y459 HydrophobicContact CD1-CD1 4.34Å; L351-Y459 HydrophobicContact CD1-CD2 4.18Å; L351-Y459 HydrophobicContact CD1-CE1 4.13Å; L351-Y459 HydrophobicContact CD1-CE2 4Å; L351-Y459 HydrophobicContact CD1-CG 4.35Å; L351-Y459 WeakPolarHBondContact O-CA 3.25Å; L351-Y459 PolarHBondContact O-N 3.24Å |
| 352 | V | 96.7 | Very high | 93.6 | Very high | 3 Ų | 3 | 6.4 Ų | 6.4 | 2% | 0.018 | 3% | 0.033 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 115.1 | 167.3 | -170.9 | 0 | 0 | 0 | 0 | 108.4 | W347 G349 N350 Y453 L454 A462 | W347-V352 PolarHBondContact O-N 3Å; G349-V352 CarbonylContact C-O 3.52Å; G349-V352 WeakPolarHBondContact CA-O 3.25Å; G349-V352 PolarHBondContact N-O 3.13Å; N350-V352 VanDerWaalsContact C-N 3.32Å; N350-V352 PolarHBondContact O-N 2.9Å; V352-Y453 HydrophobicContact CB-CE1 4.22Å; V352-Y453 HydrophobicContact CG1-CE1 4.01Å; V352-Y453 HydrophobicContact CG1-CE2 4.25Å; V352-Y453 VanDerWaalsContact CG1-OH 3.24Å; V352-Y453 WeakPolarHBondContact CG1-OH 3.34Å; V352-Y453 HydrophobicContact CG2-CE1 4.33Å; V352-L454 HydrophobicContact CG2-CD2 3.87Å; V352-A462 HydrophobicContact CG1-CB 3.62Å |
| 353 | T | 96.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 3% | 0.033 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 149.2 | 179.2 | -51.4 | 0 | 0 | 0 | 0 | 109.5 | P197 K200 Y245 G349 N350 N460 N461 A462 | P197-T353 HydrophobicContact CB-CG2 3.91Å; K200-T353 PolarHBondContact NZ-OG1 3.19Å; Y245-T353 HydrophobicContact CE1-CG2 3.84Å; G349-T353 WeakPolarHBondContact O-CA 3.28Å; G349-T353 WeakPolarHBondContact O-CB 3.41Å; G349-T353 WeakPolarHBondContact O-CG2 3.4Å; G349-T353 PolarHBondContact O-OG1 3.09Å; N350-T353 PolarHBondContact O-OG1 3.03Å; T353-N460 PolarHBondContact N-O 2.63Å; T353-N460 VanDerWaalsContact N-O 3.13Å; T353-N461 CarbonylContact O-C 3.55Å; T353-N461 WeakPolarHBondContact O-CA 3.48Å; T353-A462 PolarHBondContact O-N 3.42Å |
| 354 | M | 96.4 | Very high | 93.7 | Very high | 2 Ų | 2 | 6.6 Ų | 6.6 | 1% | 0.01 | 3% | 0.033 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 150.2 | 169.9 | 58.2 | -76.6 | -166.2 | 0 | 0 | 111.6 | W356 W357 D359 L360 K363 N461 A462 | M354-W356 WeakPolarHBondContact CB-O 3.38Å; M354-W356 VanDerWaalsContact CG-O 3.26Å; M354-W356 WeakPolarHBondContact CG-O 3.32Å; M354-W357 HydrophobicContact CE-CD2 4.11Å; M354-W357 HydrophobicContact CE-CE3 3.25Å; M354-W357 HydrophobicContact CE-CH2 3.71Å; M354-W357 HydrophobicContact CE-CZ2 4.48Å; M354-W357 HydrophobicContact CE-CZ3 3.04Å; M354-D359 HydrophobicContact CB-CB 3.89Å; M354-L360 HydrophobicContact CE-CD1 4.18Å; M354-K363 HydrophobicContact SD-CB 4.38Å; M354-N461 PolarHBondContact O-ND2 3.38Å; M354-A462 CarbonylContact C-O 3.54Å; M354-A462 VanDerWaalsContact CA-O 3.31Å; M354-A462 WeakPolarHBondContact CA-O 3.32Å |
| 355 | E | 95.4 | Very high | 93.8 | Very high | 42 Ų | 42 | 6.6 Ų | 6.6 | 20% | 0.196 | 3% | 0.033 | C | C | . | . | S | Bend | trans | -65.6 | -41.4 | 170.8 | -178.9 | 68.8 | -172 | 0 | 0 | 110.9 | K42 A198 N461 A462 E463 | K42-E355 IonicContact NZ-OE1 3.25Å; A198-E355 WeakPolarHBondContact CB-O 3.45Å; E355-N461 HydrophobicContact CB-CB 4.4Å; E355-N461 WeakPolarHBondContact OE2-CB 3.18Å; E355-A462 PolarHBondContact N-O 3.1Å; E355-E463 HydrophobicContact CB-CG 3.95Å |
| 356 | W | 93.8 | Very high | 93.9 | Very high | 17 Ų | 17 | 6.6 Ų | 6.6 | 6% | 0.064 | 3% | 0.034 | C | C | . | . | S | Bend | trans | -147.5 | 165.5 | 176.9 | -166.4 | -122.9 | 0 | 0 | 0 | 111.6 | F37 R39 E196 P197 M354 T358 D359 I412 | F37-W356 AromaticContact CE1-CH2 3.88Å; F37-W356 HydrophobicContact CE1-CH2 3.88Å; F37-W356 AromaticContact CE1-CZ2 3.69Å; F37-W356 HydrophobicContact CE1-CZ2 3.69Å; F37-W356 HydrophobicContact CZ-CH2 4.12Å; F37-W356 HydrophobicContact CZ-CZ2 4.32Å; R39-W356 HydrophobicContact CG-CE3 4.48Å; R39-W356 HydrophobicContact CG-CH2 3.87Å; R39-W356 HydrophobicContact CG-CZ2 4.01Å; R39-W356 HydrophobicContact CG-CZ3 4.1Å; E196-W356 HydrophobicContact CB-CZ3 3.8Å; E196-W356 HydrophobicContact CG-CH2 4.15Å; E196-W356 HydrophobicContact CG-CZ3 3.72Å; P197-W356 HydrophobicContact CG-CE3 4.03Å; P197-W356 HydrophobicContact CG-CZ3 4.47Å; M354-W356 WeakPolarHBondContact CB-O 3.38Å; M354-W356 VanDerWaalsContact CG-O 3.26Å; M354-W356 WeakPolarHBondContact CG-O 3.32Å; W356-T358 PolarHBondContact O-N 3.3Å; W356-D359 PolarHBondContact O-N 2.8Å; W356-I412 PolarHBondContact NE1-O 3.28Å; W356-I412 VanDerWaalsContact NE1-O 3.11Å |
| 357 | W | 91.5 | Very high | 94 | Very high | 1 Ų | 1 | 6.3 Ų | 6.3 | 0% | 0.004 | 3% | 0.032 | C | C | . | . | G | 310 helix | trans | -59.9 | -15.8 | -179.5 | -60.1 | 109.3 | 0 | 0 | 0 | 114.3 | E183 S184 P197 Y245 M354 D359 L360 I412 V418 Y422 | E183-W357 HydrophobicContact CG-CH2 4.17Å; E183-W357 HydrophobicContact CG-CZ3 4.31Å; S184-W357 VanDerWaalsContact CB-CH2 3.5Å; S184-W357 WeakPolarHBondContact O-CZ2 3.46Å; P197-W357 HydrophobicContact CG-CZ2 4.19Å; Y245-W357 HydrophobicContact CD1-CH2 4.38Å; Y245-W357 HydrophobicContact CG-CH2 4.39Å; M354-W357 HydrophobicContact CE-CD2 4.11Å; M354-W357 HydrophobicContact CE-CE3 3.25Å; M354-W357 HydrophobicContact CE-CH2 3.71Å; M354-W357 HydrophobicContact CE-CZ2 4.48Å; M354-W357 HydrophobicContact CE-CZ3 3.04Å; W357-D359 PolarHBondContact O-N 2.9Å; W357-L360 HydrophobicContact CE3-CD1 4.17Å; W357-L360 HydrophobicContact CZ3-CD1 4.28Å; W357-L360 WeakPolarHBondContact O-CB 3.29Å; W357-L360 PolarHBondContact O-N 3.37Å; W357-L360 VanDerWaalsContact O-N 3.14Å; W357-I412 HydrophobicContact CB-CB 4.31Å; W357-I412 HydrophobicContact CB-CG1 3.89Å; W357-V418 HydrophobicContact CB-CG1 3.94Å; W357-V418 HydrophobicContact CB-CG2 3.83Å; W357-V418 HydrophobicContact CD2-CG1 3.76Å; W357-V418 HydrophobicContact CD2-CG2 4.19Å; W357-V418 HydrophobicContact CE3-CG1 3.74Å; W357-V418 HydrophobicContact CG-CB 4.43Å; W357-V418 HydrophobicContact CG-CG1 3.82Å; W357-V418 HydrophobicContact CG-CG2 3.6Å; W357-Y422 WeakPolarHBondContact CZ3-OH 2.97Å |
| 358 | T | 92.6 | Very high | 93.8 | Very high | 32 Ų | 32 | 6.4 Ų | 6.4 | 20% | 0.196 | 3% | 0.032 | C | C | . | . | G | 310 helix | trans | -53.2 | -35.7 | 168.9 | -54.7 | 0 | 0 | 0 | 0 | 112.4 | W356 E409 V410 | W356-T358 PolarHBondContact O-N 3.3Å; T358-E409 HydrophobicContact CG2-CB 4.18Å; T358-E409 WeakPolarHBondContact O-CA 3.36Å; T358-V410 VanDerWaalsContact CA-O 3.29Å; T358-V410 WeakPolarHBondContact CA-O 3.17Å; T358-V410 PolarHBondContact OG1-O 3.49Å |
| 359 | D | 95 | Very high | 93.9 | Very high | 12 Ų | 12 | 6.3 Ų | 6.3 | 6% | 0.064 | 3% | 0.032 | C | C | . | . | G | 310 helix | trans | -99.7 | 25.4 | -177.9 | -57.6 | -85 | 0 | 0 | 0 | 112.7 | M354 W356 W357 F361 L362 A464 | M354-D359 HydrophobicContact CB-CB 3.89Å; W356-D359 PolarHBondContact O-N 2.8Å; W357-D359 PolarHBondContact O-N 2.9Å; D359-F361 HydrophobicContact CB-CE1 4.45Å; D359-F361 PolarHBondContact O-N 3.25Å; D359-L362 HydrophobicContact CB-CD1 3.78Å; D359-L362 HydrophobicContact CB-CG 4.11Å; D359-L362 WeakPolarHBondContact O-CB 3.4Å; D359-L362 PolarHBondContact O-N 3.07Å; D359-A464 VanDerWaalsContact OD1-CB 3.28Å; D359-A464 WeakPolarHBondContact OD1-CB 3.48Å; D359-A464 PolarHBondContact OD1-N 3.46Å |
| 360 | L | 91.8 | Very high | 94 | Very high | 2 Ų | 2 | 6.2 Ų | 6.2 | 1% | 0.01 | 3% | 0.031 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | -33 | 179.8 | 177.7 | 63.8 | 0 | 0 | 0 | 113.1 | M354 W357 L362 K363 E364 I421 Y422 | M354-L360 HydrophobicContact CE-CD1 4.18Å; W357-L360 HydrophobicContact CE3-CD1 4.17Å; W357-L360 HydrophobicContact CZ3-CD1 4.28Å; W357-L360 WeakPolarHBondContact O-CB 3.29Å; W357-L360 PolarHBondContact O-N 3.37Å; W357-L360 VanDerWaalsContact O-N 3.14Å; L360-L362 PolarHBondContact O-N 2.79Å; L360-K363 WeakPolarHBondContact O-CB 3.48Å; L360-K363 PolarHBondContact O-N 2.58Å; L360-E364 HydrophobicContact CD1-CG 3.61Å; L360-E364 HydrophobicContact CD2-CG 4.43Å; L360-E364 HydrophobicContact CG-CG 3.78Å; L360-E364 PolarHBondContact O-N 2.97Å; L360-I421 HydrophobicContact CB-CD1 4.26Å; L360-I421 HydrophobicContact CD2-CD1 3.83Å; L360-I421 HydrophobicContact CD2-CG1 4.08Å; L360-Y422 HydrophobicContact CD1-CE1 3.86Å; L360-Y422 HydrophobicContact CD2-CD1 4.05Å; L360-Y422 HydrophobicContact CD2-CD2 4.27Å; L360-Y422 HydrophobicContact CD2-CE1 3.85Å; L360-Y422 HydrophobicContact CD2-CE2 4.1Å; L360-Y422 HydrophobicContact CD2-CG 4.24Å; L360-Y422 HydrophobicContact CG-CE1 4.43Å |
| 361 | F | 95.1 | Very high | 94.1 | Very high | 3 Ų | 3 | 6.3 Ų | 6.3 | 1% | 0.013 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -63.3 | -24.2 | 179.1 | 84.1 | -82.9 | 0 | 0 | 0 | 114.6 | D359 K363 G365 F366 I408 E409 S430 A464 W468 | D359-F361 HydrophobicContact CB-CE1 4.45Å; D359-F361 PolarHBondContact O-N 3.25Å; F361-K363 PolarHBondContact O-N 3.31Å; F361-G365 VanDerWaalsContact O-CA 3.26Å; F361-G365 WeakPolarHBondContact O-CA 3.45Å; F361-G365 PolarHBondContact O-N 2.72Å; F361-F366 PolarHBondContact O-N 2.63Å; F361-I408 HydrophobicContact CB-CG2 3.36Å; F361-I408 HydrophobicContact CD1-CG2 3.6Å; F361-I408 HydrophobicContact CD2-CG2 4.1Å; F361-I408 HydrophobicContact CE1-CG2 4.44Å; F361-I408 HydrophobicContact CG-CG2 3.39Å; F361-E409 HydrophobicContact CD1-CG 4.42Å; F361-E409 HydrophobicContact CE1-CG 3.97Å; F361-S430 WeakPolarHBondContact CB-OG 3.47Å; F361-A464 HydrophobicContact CE1-CB 3.8Å; F361-A464 HydrophobicContact CZ-CB 3.63Å; F361-W468 AromaticContact CE2-CH2 3.9Å; F361-W468 HydrophobicContact CE2-CH2 3.9Å; F361-W468 AromaticContact CE2-CZ2 3.7Å; F361-W468 HydrophobicContact CE2-CZ2 3.7Å; F361-W468 HydrophobicContact CZ-CH2 4.36Å; F361-W468 AromaticContact CZ-CZ2 3.72Å; F361-W468 HydrophobicContact CZ-CZ2 3.72Å |
| 362 | L | 96.2 | Very high | 94 | Very high | 4 Ų | 4 | 6 Ų | 6 | 2% | 0.021 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -61.4 | -30.6 | 174.5 | -69 | -179.1 | 0 | 0 | 0 | 111.3 | D359 L360 F366 L467 | D359-L362 HydrophobicContact CB-CD1 3.78Å; D359-L362 HydrophobicContact CB-CG 4.11Å; D359-L362 WeakPolarHBondContact O-CB 3.4Å; D359-L362 PolarHBondContact O-N 3.07Å; L360-L362 PolarHBondContact O-N 2.79Å; L362-F366 HydrophobicContact CD2-CE2 4.48Å; L362-L467 HydrophobicContact CD2-CB 4.19Å; L362-L467 HydrophobicContact CD2-CD2 3.53Å |
| 363 | K | 92 | Very high | 94 | Very high | 1 Ų | 1 | 7.7 Ų | 7.7 | 0% | 0.004 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -85.4 | -68 | 171.8 | 176.2 | -177 | -179.2 | -127 | 0 | 110.2 | E183 E308 H345 M354 L360 F361 A367 | E183-K363 IonicContact OE1-NZ 3.55Å; E183-K363 PolarHBondContact OE1-NZ 2.82Å; E183-K363 IonicContact OE2-NZ 3.81Å; E183-K363 PolarHBondContact OE2-NZ 3.37Å; E308-K363 IonicContact OE1-NZ 2.78Å; H345-K363 VanDerWaalsContact CE1-CE 3.41Å; H345-K363 WeakPolarHBondContact CE1-CE 3.46Å; H345-K363 WeakPolarHBondContact CE1-CG 3.45Å; H345-K363 WeakPolarHBondContact ND1-CE 3.34Å; H345-K363 WeakPolarHBondContact ND1-CG 3.18Å; M354-K363 HydrophobicContact SD-CB 4.38Å; L360-K363 WeakPolarHBondContact O-CB 3.48Å; L360-K363 PolarHBondContact O-N 2.58Å; F361-K363 PolarHBondContact O-N 3.31Å; K363-A367 WeakPolarHBondContact O-CB 3.18Å; K363-A367 PolarHBondContact O-N 2.82Å |
| 364 | E | 91.4 | Very high | 94 | Very high | 3 Ų | 3 | 7.7 Ų | 7.7 | 1% | 0.014 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -73.5 | -38 | -165 | -61.6 | -56.5 | 156.9 | 0 | 0 | 113.7 | H341 H345 L360 R368 Y422 Y427 | H341-E364 IonicContact CE1-OE2 3.26Å; H341-E364 IonicContact NE2-OE2 3.32Å; H345-E364 IonicContact CE1-OE1 3.81Å; H345-E364 IonicContact CE1-OE2 2.73Å; H345-E364 IonicContact NE2-OE2 2.96Å; L360-E364 HydrophobicContact CD1-CG 3.61Å; L360-E364 HydrophobicContact CD2-CG 4.43Å; L360-E364 HydrophobicContact CG-CG 3.78Å; L360-E364 PolarHBondContact O-N 2.97Å; E364-R368 WeakPolarHBondContact O-CB 3.14Å; E364-R368 PolarHBondContact O-N 3.36Å; E364-Y422 HydrophobicContact CG-CE1 4.36Å; E364-Y427 HydrophobicContact CB-CD1 3.84Å; E364-Y427 HydrophobicContact CB-CD2 4.17Å; E364-Y427 HydrophobicContact CB-CE1 3.7Å; E364-Y427 HydrophobicContact CB-CE2 4Å; E364-Y427 HydrophobicContact CB-CG 4.08Å; E364-Y427 VanDerWaalsContact CD-CZ 3.42Å; E364-Y427 HydrophobicContact CG-CE1 3.94Å; E364-Y427 HydrophobicContact CG-CE2 3.96Å; E364-Y427 WeakPolarHBondContact OE2-CE1 3.22Å; E364-Y427 PolarHBondContact OE2-OH 3.17Å |
| 365 | G | 93.8 | Very high | 94 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -67.4 | -41.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F361 W369 I434 | F361-G365 VanDerWaalsContact O-CA 3.26Å; F361-G365 WeakPolarHBondContact O-CA 3.45Å; F361-G365 PolarHBondContact O-N 2.72Å; G365-W369 WeakPolarHBondContact O-CB 3.33Å; G365-W369 PolarHBondContact O-N 3.35Å; G365-I434 VanDerWaalsContact C-CD1 3.46Å; G365-I434 WeakPolarHBondContact O-CD1 3.37Å |
| 366 | F | 95.5 | Very high | 94 | Very high | 1 Ų | 1 | 7.9 Ų | 7.9 | 0% | 0.004 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -73.1 | -42 | 177.9 | -85.7 | -84.3 | 0 | 0 | 0 | 112.8 | F348 F361 L362 R368 W369 M370 I434 F446 L450 L467 | F348-F366 HydrophobicContact CB-CB 4.16Å; F348-F366 HydrophobicContact CD1-CB 3.56Å; F348-F366 HydrophobicContact CD1-CD1 4.23Å; F348-F366 HydrophobicContact CD1-CD2 4.33Å; F348-F366 AromaticContact CD1-CG 3.77Å; F348-F366 HydrophobicContact CD1-CG 3.77Å; F348-F366 HydrophobicContact CD2-CB 3.82Å; F348-F366 HydrophobicContact CE1-CB 3.81Å; F348-F366 AromaticContact CE1-CD1 3.6Å; F348-F366 HydrophobicContact CE1-CD1 3.6Å; F348-F366 HydrophobicContact CE1-CD2 4.32Å; F348-F366 HydrophobicContact CE1-CE1 4.31Å; F348-F366 AromaticContact CE1-CG 3.62Å; F348-F366 HydrophobicContact CE1-CG 3.62Å; F348-F366 HydrophobicContact CE2-CB 4.03Å; F348-F366 HydrophobicContact CE2-CD1 4.29Å; F348-F366 HydrophobicContact CE2-CG 4.49Å; F348-F366 HydrophobicContact CG-CB 3.57Å; F348-F366 HydrophobicContact CG-CG 4.29Å; F348-F366 HydrophobicContact CZ-CB 4.04Å; F348-F366 AromaticContact CZ-CD1 3.64Å; F348-F366 HydrophobicContact CZ-CD1 3.64Å; F348-F366 HydrophobicContact CZ-CE1 4.44Å; F348-F366 HydrophobicContact CZ-CG 4.01Å; F361-F366 PolarHBondContact O-N 2.63Å; L362-F366 HydrophobicContact CD2-CE2 4.48Å; F366-R368 VanDerWaalsContact C-N 3.32Å; F366-R368 PolarHBondContact O-N 2.81Å; F366-W369 PolarHBondContact O-N 3.02Å; F366-M370 VanDerWaalsContact O-CB 3.3Å; F366-M370 WeakPolarHBondContact O-CB 3.37Å; F366-M370 WeakPolarHBondContact O-CG 3.23Å; F366-M370 PolarHBondContact O-N 3.11Å; F366-I434 HydrophobicContact CB-CD1 4.45Å; F366-I434 HydrophobicContact CD1-CD1 4.02Å; F366-I434 HydrophobicContact CD1-CG2 4.35Å; F366-I434 HydrophobicContact CD2-CD1 3.52Å; F366-I434 HydrophobicContact CD2-CG1 4.42Å; F366-I434 HydrophobicContact CE1-CD1 4.02Å; F366-I434 HydrophobicContact CE1-CG1 4.19Å; F366-I434 HydrophobicContact CE1-CG2 3.87Å; F366-I434 HydrophobicContact CE2-CD1 3.53Å; F366-I434 HydrophobicContact CE2-CG1 3.94Å; F366-I434 HydrophobicContact CG-CD1 3.77Å; F366-I434 HydrophobicContact CZ-CD1 3.77Å; F366-I434 HydrophobicContact CZ-CG1 3.8Å; F366-I434 HydrophobicContact CZ-CG2 4.24Å; F366-F446 HydrophobicContact CE1-CZ 4.01Å; F366-L450 HydrophobicContact CD1-CD2 4.36Å; F366-L450 HydrophobicContact CE1-CD1 4.31Å; F366-L450 HydrophobicContact CE1-CD2 3.65Å; F366-L450 HydrophobicContact CZ-CD2 4.2Å; F366-L467 HydrophobicContact CD2-CD2 4.46Å; F366-L467 HydrophobicContact CE2-CD2 3.32Å; F366-L467 HydrophobicContact CZ-CD1 4.42Å; F366-L467 HydrophobicContact CZ-CD2 3.45Å; F366-L467 VanDerWaalsContact CZ-CD2 3.45Å |
| 367 | A | 91.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -59.5 | -44.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | A344 H345 K363 W369 M370 E371 | A344-A367 HydrophobicContact CB-CB 4.15Å; H345-A367 WeakPolarHBondContact CE1-CB 3.29Å; K363-A367 WeakPolarHBondContact O-CB 3.18Å; K363-A367 PolarHBondContact O-N 2.82Å; A367-W369 VanDerWaalsContact C-N 3.31Å; A367-W369 PolarHBondContact O-N 2.84Å; A367-M370 PolarHBondContact O-N 2.82Å; A367-E371 WeakPolarHBondContact O-CB 3.44Å; A367-E371 PolarHBondContact O-N 2.91Å |
| 368 | R | 91.1 | Very high | 94.4 | Very high | 2 Ų | 2 | 13.7 Ų | 13.7 | 1% | 0.008 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -61.1 | -35.9 | 174.7 | 178.7 | 53.4 | 56.8 | 73.8 | 12.7 | 113.8 | E364 F366 E371 H392 Y427 S428 A431 | E364-R368 WeakPolarHBondContact O-CB 3.14Å; E364-R368 PolarHBondContact O-N 3.36Å; F366-R368 VanDerWaalsContact C-N 3.32Å; F366-R368 PolarHBondContact O-N 2.81Å; R368-E371 WeakPolarHBondContact CA-OE2 3.43Å; R368-E371 VanDerWaalsContact CD-CD 3.47Å; R368-E371 WeakPolarHBondContact CD-OE1 2.99Å; R368-E371 WeakPolarHBondContact CD-OE2 3.16Å; R368-E371 IonicContact NE-OE1 3.94Å; R368-E371 PolarHBondContact NE-OE1 3.34Å; R368-E371 VanDerWaalsContact NE-OE1 3.16Å; R368-E371 IonicContact NE-OE2 2.84Å; R368-E371 PolarHBondContact NE-OE2 3.43Å; R368-E371 VanDerWaalsContact NE-OE2 3.09Å; R368-E371 WeakPolarHBondContact O-CG 3.3Å; R368-H392 PolarHBondContact NH1-CE1 2.91Å; R368-H392 VanDerWaalsContact NH1-CE1 3.26Å; R368-H392 PolarHBondContact NH1-ND1 2.97Å; R368-Y427 VanDerWaalsContact NH2-CD1 3.31Å; R368-S428 PolarHBondContact NH1-OG 2.97Å; R368-A431 HydrophobicContact CB-CB 3.99Å; R368-A431 HydrophobicContact CG-CB 3.6Å |
| 369 | W | 95.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -74.5 | -44.9 | 177 | 179.7 | 75.5 | 0 | 0 | 0 | 111.6 | G365 F366 A367 E371 H372 F373 W385 A431 I434 F446 | G365-W369 WeakPolarHBondContact O-CB 3.33Å; G365-W369 PolarHBondContact O-N 3.35Å; F366-W369 PolarHBondContact O-N 3.02Å; A367-W369 VanDerWaalsContact C-N 3.31Å; A367-W369 PolarHBondContact O-N 2.84Å; W369-E371 PolarHBondContact O-N 3.15Å; W369-H372 PolarHBondContact O-N 3.47Å; W369-F373 HydrophobicContact CH2-CD1 4.12Å; W369-F373 HydrophobicContact CH2-CG 4.24Å; W369-F373 HydrophobicContact CZ2-CB 4.49Å; W369-F373 HydrophobicContact CZ2-CG 4.31Å; W369-F373 PolarHBondContact O-N 3.41Å; W369-W385 AromaticContact CE2-CH2 3.93Å; W369-W385 HydrophobicContact CZ2-CH2 4.05Å; W369-W385 AromaticContact NE1-CH2 3.41Å; W369-A431 HydrophobicContact CB-CB 4.03Å; W369-I434 HydrophobicContact CB-CB 4.4Å; W369-I434 HydrophobicContact CB-CG2 4.05Å; W369-I434 HydrophobicContact CD2-CG2 3.59Å; W369-I434 HydrophobicContact CE3-CG2 3.93Å; W369-I434 HydrophobicContact CG-CB 4.19Å; W369-I434 HydrophobicContact CG-CG2 3.56Å; W369-F446 HydrophobicContact CE3-CE1 4.25Å; W369-F446 HydrophobicContact CE3-CZ 4.37Å; W369-F446 HydrophobicContact CH2-CD1 4.27Å; W369-F446 AromaticContact CH2-CE1 3.55Å; W369-F446 HydrophobicContact CH2-CE1 3.55Å; W369-F446 HydrophobicContact CH2-CZ 4.3Å; W369-F446 HydrophobicContact CZ2-CE1 4.29Å; W369-F446 AromaticContact CZ3-CE1 3.47Å; W369-F446 HydrophobicContact CZ3-CE1 3.47Å; W369-F446 VanDerWaalsContact CZ3-CE1 3.47Å; W369-F446 HydrophobicContact CZ3-CZ 4.03Å |
| 370 | M | 95.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -69.2 | -28.3 | -178.6 | -76.5 | -57.9 | -49.3 | 0 | 0 | 113.8 | F292 Y293 Y296 F297 A344 F348 F366 A367 H372 F373 C374 | F292-M370 HydrophobicContact CE1-CE 3.7Å; F292-M370 HydrophobicContact CZ-CE 4.32Å; Y293-M370 HydrophobicContact CD1-CE 3.74Å; Y293-M370 HydrophobicContact CE1-CB 4.03Å; Y293-M370 HydrophobicContact CE1-CE 3.43Å; Y293-M370 VanDerWaalsContact CE1-CE 3.43Å; Y293-M370 PolarHBondContact OH-O 3.22Å; Y296-M370 HydrophobicContact CD1-CE 3.74Å; Y296-M370 HydrophobicContact CD1-SD 4.25Å; Y296-M370 HydrophobicContact CE1-CE 4.02Å; Y296-M370 HydrophobicContact CE1-SD 3.99Å; Y296-M370 HydrophobicContact CG-CE 4.42Å; F297-M370 HydrophobicContact CE1-CE 4.22Å; F297-M370 HydrophobicContact CE1-SD 4.07Å; F297-M370 HydrophobicContact CE2-CE 4.28Å; F297-M370 HydrophobicContact CZ-CE 3.59Å; F297-M370 HydrophobicContact CZ-CG 3.9Å; F297-M370 HydrophobicContact CZ-SD 3.75Å; A344-M370 HydrophobicContact CB-CB 3.96Å; F348-M370 HydrophobicContact CE2-CG 4.08Å; F366-M370 VanDerWaalsContact O-CB 3.3Å; F366-M370 WeakPolarHBondContact O-CB 3.37Å; F366-M370 WeakPolarHBondContact O-CG 3.23Å; F366-M370 PolarHBondContact O-N 3.11Å; A367-M370 PolarHBondContact O-N 2.82Å; M370-H372 VanDerWaalsContact C-N 3.32Å; M370-H372 PolarHBondContact O-N 2.91Å; M370-F373 HydrophobicContact CE-CD1 4Å; M370-F373 PolarHBondContact O-N 2.85Å; M370-F373 HydrophobicContact SD-CD1 4.42Å; M370-C374 VanDerWaalsContact O-CB 3.22Å; M370-C374 WeakPolarHBondContact O-CB 3.22Å; M370-C374 PolarHBondContact O-N 2.93Å |
| 371 | E | 94.5 | Very high | 94.2 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.8 | -43.8 | 178 | 80.3 | -169.4 | -150.7 | 0 | 0 | 110.8 | V337 A340 H341 A367 R368 W369 V375 H392 | V337-E371 HydrophobicContact CG1-CB 4.43Å; V337-E371 HydrophobicContact CG1-CG 3.86Å; V337-E371 WeakPolarHBondContact CG1-OE1 3.45Å; A340-E371 HydrophobicContact CB-CB 4.03Å; H341-E371 HydrophobicContact CB-CB 4.1Å; H341-E371 IonicContact CE1-OE2 3.32Å; H341-E371 IonicContact CG-OE2 2.96Å; H341-E371 IonicContact ND1-OE2 2.89Å; H341-E371 PolarHBondContact ND1-OE2 3.35Å; A367-E371 WeakPolarHBondContact O-CB 3.44Å; A367-E371 PolarHBondContact O-N 2.91Å; R368-E371 WeakPolarHBondContact CA-OE2 3.43Å; R368-E371 VanDerWaalsContact CD-CD 3.47Å; R368-E371 WeakPolarHBondContact CD-OE1 2.99Å; R368-E371 WeakPolarHBondContact CD-OE2 3.16Å; R368-E371 IonicContact NE-OE1 3.94Å; R368-E371 PolarHBondContact NE-OE1 3.34Å; R368-E371 VanDerWaalsContact NE-OE1 3.16Å; R368-E371 IonicContact NE-OE2 2.84Å; R368-E371 PolarHBondContact NE-OE2 3.43Å; R368-E371 VanDerWaalsContact NE-OE2 3.09Å; R368-E371 WeakPolarHBondContact O-CG 3.3Å; W369-E371 PolarHBondContact O-N 3.15Å; E371-V375 WeakPolarHBondContact O-CB 3.35Å; E371-V375 VanDerWaalsContact O-CG2 3.25Å; E371-V375 WeakPolarHBondContact O-CG2 3.24Å; E371-V375 PolarHBondContact O-N 3.31Å; E371-H392 IonicContact OE1-NE2 2.8Å |
| 372 | H | 93.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -70.6 | -42.6 | 179.2 | -78.1 | 60.7 | 0 | 0 | 0 | 110.5 | W369 M370 C374 V375 D376 I384 W385 F388 H392 | W369-H372 PolarHBondContact O-N 3.47Å; M370-H372 VanDerWaalsContact C-N 3.32Å; M370-H372 PolarHBondContact O-N 2.91Å; H372-C374 VanDerWaalsContact C-N 3.34Å; H372-C374 PolarHBondContact O-N 3.27Å; H372-V375 PolarHBondContact O-N 3.14Å; H372-D376 WeakPolarHBondContact O-CB 3.38Å; H372-D376 PolarHBondContact O-N 3.47Å; H372-I384 PolarHBondContact CD2-O 2.89Å; H372-I384 WeakPolarHBondContact O-CG2 2.8Å; H372-W385 HydrophobicContact CB-CE3 4Å; H372-W385 HydrophobicContact CB-CZ3 4.18Å; H372-F388 HydrophobicContact CB-CD2 4.31Å; H372-F388 AromaticContact CD2-CD2 3.92Å; H372-F388 AromaticContact CG-CD2 3.89Å; H372-H392 AromaticContact CE1-CD2 3.31Å; H372-H392 PolarHBondContact CE1-CD2 3.46Å; H372-H392 AromaticContact CE1-NE2 2.91Å; H372-H392 PolarHBondContact CE1-NE2 3Å; H372-H392 AromaticContact ND1-NE2 3.86Å; H372-H392 AromaticContact NE2-CD2 3.45Å; H372-H392 PolarHBondContact NE2-CD2 2.54Å; H372-H392 AromaticContact NE2-NE2 3.35Å; H372-H392 PolarHBondContact NE2-NE2 3.17Å |
| 373 | F | 95.2 | Very high | 93.7 | Very high | 38 Ų | 38 | 22 Ų | 22 | 17% | 0.167 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.7 | -38.3 | -180 | -166.4 | -119.9 | 0 | 0 | 0 | 112.2 | F292 Y296 W369 M370 H377 W385 | F292-F373 HydrophobicContact CE1-CD1 4.29Å; F292-F373 HydrophobicContact CE2-CE1 4.39Å; F292-F373 AromaticContact CZ-CD1 3.58Å; F292-F373 HydrophobicContact CZ-CD1 3.58Å; F292-F373 AromaticContact CZ-CE1 3.72Å; F292-F373 HydrophobicContact CZ-CE1 3.72Å; F292-F373 HydrophobicContact CZ-CG 4.43Å; Y296-F373 AromaticContact CD2-CE1 3.84Å; Y296-F373 HydrophobicContact CD2-CE1 3.84Å; Y296-F373 HydrophobicContact CE1-CE1 4.39Å; Y296-F373 HydrophobicContact CE2-CD1 4.3Å; Y296-F373 AromaticContact CE2-CE1 3.37Å; Y296-F373 HydrophobicContact CE2-CE1 3.37Å; Y296-F373 HydrophobicContact CE2-CZ 4.09Å; Y296-F373 AromaticContact CZ-CE1 3.68Å; W369-F373 HydrophobicContact CH2-CD1 4.12Å; W369-F373 HydrophobicContact CH2-CG 4.24Å; W369-F373 HydrophobicContact CZ2-CB 4.49Å; W369-F373 HydrophobicContact CZ2-CG 4.31Å; W369-F373 PolarHBondContact O-N 3.41Å; M370-F373 HydrophobicContact CE-CD1 4Å; M370-F373 PolarHBondContact O-N 2.85Å; M370-F373 HydrophobicContact SD-CD1 4.42Å; F373-H377 PolarHBondContact O-N 3.18Å; F373-W385 HydrophobicContact CB-CZ3 3.95Å; F373-W385 HydrophobicContact CD2-CH2 4.31Å; F373-W385 HydrophobicContact CD2-CZ3 4.09Å; F373-W385 HydrophobicContact CG-CZ3 4.48Å |
| 374 | C | 97.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -69.3 | -48.7 | 175.2 | 179.6 | 0 | 0 | 0 | 0 | 112.3 | F292 Y293 A340 M370 H372 D376 H377 V378 | F292-C374 HydrophobicContact CD1-CB 3.69Å; F292-C374 VanDerWaalsContact CD1-SG 3.58Å; F292-C374 HydrophobicContact CE1-CB 3.61Å; F292-C374 HydrophobicContact CZ-CB 4.47Å; Y293-C374 HydrophobicContact CE1-CB 3.93Å; Y293-C374 HydrophobicContact CE2-CB 4.48Å; Y293-C374 VanDerWaalsContact OH-CB 3.3Å; Y293-C374 WeakPolarHBondContact OH-CB 3.29Å; A340-C374 HydrophobicContact CB-CB 4.2Å; M370-C374 VanDerWaalsContact O-CB 3.22Å; M370-C374 WeakPolarHBondContact O-CB 3.22Å; M370-C374 PolarHBondContact O-N 2.93Å; H372-C374 VanDerWaalsContact C-N 3.34Å; H372-C374 PolarHBondContact O-N 3.27Å; C374-D376 VanDerWaalsContact C-N 3.3Å; C374-D376 PolarHBondContact O-N 3.5Å; C374-H377 WeakPolarHBondContact O-CB 3.15Å; C374-H377 PolarHBondContact O-N 3.07Å; C374-V378 WeakPolarHBondContact O-CG2 3.47Å; C374-V378 PolarHBondContact O-N 3.02Å |
| 375 | V | 95.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.1 | -35.8 | -179.6 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | F285 A336 V337 A340 E371 H372 H377 V378 F379 Y382 I384 | F285-V375 HydrophobicContact CE2-CG2 4.29Å; F285-V375 HydrophobicContact CZ-CG2 3.75Å; A336-V375 HydrophobicContact CB-CG2 4.19Å; V337-V375 HydrophobicContact CG2-CG1 4.44Å; V337-V375 HydrophobicContact CG2-CG2 4.09Å; A340-V375 HydrophobicContact CB-CG2 4.01Å; E371-V375 WeakPolarHBondContact O-CB 3.35Å; E371-V375 VanDerWaalsContact O-CG2 3.25Å; E371-V375 WeakPolarHBondContact O-CG2 3.24Å; E371-V375 PolarHBondContact O-N 3.31Å; H372-V375 PolarHBondContact O-N 3.14Å; V375-H377 VanDerWaalsContact C-N 3.31Å; V375-H377 PolarHBondContact O-N 3.11Å; V375-V378 PolarHBondContact O-N 3.45Å; V375-F379 CarbonylContact O-C 3.4Å; V375-F379 WeakPolarHBondContact O-CA 3.5Å; V375-F379 PolarHBondContact O-N 3.4Å; V375-Y382 HydrophobicContact CG1-CD2 3.89Å; V375-I384 HydrophobicContact CB-CG2 4.01Å; V375-I384 HydrophobicContact CG1-CB 4.25Å; V375-I384 HydrophobicContact CG1-CG1 4.29Å; V375-I384 HydrophobicContact CG1-CG2 3.9Å |
| 376 | D | 96 | Very high | 93.5 | Very high | 47 Ų | 47 | 25.6 Ų | 25.6 | 25% | 0.251 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -63.3 | -39 | 175.8 | -165.2 | 70.4 | 0 | 0 | 0 | 111.7 | H372 C374 P380 I384 W385 | H372-D376 WeakPolarHBondContact O-CB 3.38Å; H372-D376 PolarHBondContact O-N 3.47Å; C374-D376 VanDerWaalsContact C-N 3.3Å; C374-D376 PolarHBondContact O-N 3.5Å; D376-P380 WeakPolarHBondContact O-CA 3.38Å; D376-P380 WeakPolarHBondContact O-CB 3.48Å; D376-P380 WeakPolarHBondContact O-CD 3.34Å; D376-P380 VanDerWaalsContact O-N 3.16Å; D376-I384 HydrophobicContact CB-CG2 3.6Å; D376-I384 VanDerWaalsContact N-CG2 3.3Å; D376-W385 HydrophobicContact CB-CB 4.18Å; D376-W385 WeakPolarHBondContact OD1-CB 3.32Å; D376-W385 PolarHBondContact OD1-N 2.78Å |
| 377 | H | 96.2 | Very high | 93.2 | Very high | 116 Ų | 116 | 25.6 Ų | 25.6 | 54% | 0.537 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -68.1 | -45 | 174.9 | -179.2 | 88.6 | 0 | 0 | 0 | 112.7 | F292 F373 C374 V375 | F292-H377 HydrophobicContact CD2-CB 3.91Å; F292-H377 AromaticContact CD2-CD2 3.39Å; F292-H377 WeakPolarHBondContact CD2-CD2 3.33Å; F292-H377 AromaticContact CD2-CG 3.51Å; F292-H377 AromaticContact CD2-NE2 3.88Å; F292-H377 HydrophobicContact CE2-CB 3.64Å; F292-H377 AromaticContact CE2-CD2 3.96Å; F292-H377 AromaticContact CE2-CG 3.57Å; F292-H377 AromaticContact CE2-ND1 3.95Å; F292-H377 HydrophobicContact CZ-CB 4.35Å; F373-H377 PolarHBondContact O-N 3.18Å; C374-H377 WeakPolarHBondContact O-CB 3.15Å; C374-H377 PolarHBondContact O-N 3.07Å; V375-H377 VanDerWaalsContact C-N 3.31Å; V375-H377 PolarHBondContact O-N 3.11Å |
| 378 | V | 96.4 | Very high | 93.3 | Very high | 25 Ų | 25 | 25.6 Ų | 25.6 | 15% | 0.152 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -79.4 | -34.3 | -174.9 | 176.3 | 0 | 0 | 0 | 0 | 112.3 | F285 K288 C374 V375 | F285-V378 HydrophobicContact CD2-CG1 3.88Å; F285-V378 HydrophobicContact CE2-CB 4.02Å; F285-V378 HydrophobicContact CE2-CG1 3.78Å; F285-V378 HydrophobicContact CE2-CG2 4.4Å; K288-V378 HydrophobicContact CB-CG1 3.94Å; K288-V378 HydrophobicContact CB-CG2 4.19Å; K288-V378 HydrophobicContact CD-CG1 3.78Å; C374-V378 WeakPolarHBondContact O-CG2 3.47Å; C374-V378 PolarHBondContact O-N 3.02Å; V375-V378 PolarHBondContact O-N 3.45Å |
| 379 | F | 93.7 | Very high | 93.3 | Very high | 26 Ų | 26 | 25.5 Ų | 25.5 | 11% | 0.114 | 13% | 0.129 | C | C | . | . | trans | -134.4 | 67.1 | -178.2 | -63 | -49.3 | 0 | 0 | 0 | 111.5 | F281 F285 A336 V375 Q381 Y382 | F281-F379 HydrophobicContact CE2-CE2 4.13Å; F281-F379 AromaticContact CE2-CZ 3.93Å; F281-F379 HydrophobicContact CE2-CZ 3.93Å; F281-F379 HydrophobicContact CZ-CE2 4.07Å; F281-F379 HydrophobicContact CZ-CZ 4.35Å; F285-F379 HydrophobicContact CD2-CD2 4.03Å; F285-F379 AromaticContact CD2-CE2 3.3Å; F285-F379 HydrophobicContact CD2-CE2 3.3Å; F285-F379 AromaticContact CD2-CZ 3.98Å; F285-F379 HydrophobicContact CD2-CZ 3.98Å; F285-F379 HydrophobicContact CE2-CD2 4Å; F285-F379 AromaticContact CE2-CE2 3.76Å; F285-F379 HydrophobicContact CE2-CE2 3.76Å; F285-F379 HydrophobicContact CG-CE2 4.25Å; A336-F379 HydrophobicContact CB-CD2 4.27Å; A336-F379 HydrophobicContact CB-CE2 4.14Å; V375-F379 CarbonylContact O-C 3.4Å; V375-F379 WeakPolarHBondContact O-CA 3.5Å; V375-F379 PolarHBondContact O-N 3.4Å; F379-Q381 VanDerWaalsContact C-OE1 3.22Å; F379-Q381 VanDerWaalsContact CA-OE1 3.31Å; F379-Q381 PolarHBondContact O-N 2.81Å; F379-Q381 VanDerWaalsContact O-N 3.08Å; F379-Y382 HydrophobicContact CB-CD2 3.53Å; F379-Y382 HydrophobicContact CB-CE2 3.74Å; F379-Y382 HydrophobicContact CB-CG 3.97Å; F379-Y382 HydrophobicContact CD2-CD2 4.09Å; F379-Y382 AromaticContact CD2-CE2 3.54Å; F379-Y382 HydrophobicContact CD2-CE2 3.54Å; F379-Y382 HydrophobicContact CE2-CE2 4.32Å; F379-Y382 HydrophobicContact CG-CD2 4.14Å; F379-Y382 AromaticContact CG-CE2 3.82Å; F379-Y382 HydrophobicContact CG-CE2 3.82Å; F379-Y382 WeakPolarHBondContact O-CB 3.33Å; F379-Y382 PolarHBondContact O-N 2.98Å | ||
| 380 | P | 93.5 | Very high | 92.9 | Very high | 79 Ų | 79 | 26 Ų | 26 | 51% | 0.513 | 13% | 0.133 | S | C | . | . | G | 310 helix | trans | -60.2 | -24.2 | -178.7 | 24.3 | -35 | 0 | 0 | 0 | 113.2 | D376 Y382 D383 | D376-P380 WeakPolarHBondContact O-CA 3.38Å; D376-P380 WeakPolarHBondContact O-CB 3.48Å; D376-P380 WeakPolarHBondContact O-CD 3.34Å; D376-P380 VanDerWaalsContact O-N 3.16Å; P380-Y382 PolarHBondContact O-N 2.9Å; P380-D383 PolarHBondContact O-N 3.05Å; P380-D383 VanDerWaalsContact O-N 3.09Å |
| 381 | Q | 88.3 | Confident | 92.4 | Very high | 76 Ų | 76 | 26.4 Ų | 26.4 | 36% | 0.355 | 14% | 0.135 | S | C | . | . | G | 310 helix | trans | -64.8 | -16 | 175 | 73 | -82.2 | 15.5 | 0 | 0 | 113.9 | F379 D383 I719 H723 | F379-Q381 VanDerWaalsContact C-OE1 3.22Å; F379-Q381 VanDerWaalsContact CA-OE1 3.31Å; F379-Q381 PolarHBondContact O-N 2.81Å; F379-Q381 VanDerWaalsContact O-N 3.08Å; Q381-D383 VanDerWaalsContact C-N 3.29Å; Q381-I719 HydrophobicContact CB-CG2 4.34Å; Q381-H723 WeakPolarHBondContact O-CB 3.46Å |
| 382 | Y | 89.6 | Confident | 92.1 | Very high | 13 Ų | 13 | 26.3 Ų | 26.3 | 5% | 0.051 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -75.3 | -18.2 | 173.8 | -68.3 | -15 | 0 | 0 | 0 | 112.8 | Q333 V375 F379 P380 I384 Q387 H723 | Q333-Y382 HydrophobicContact CB-CD2 4.19Å; Q333-Y382 HydrophobicContact CB-CE2 4.1Å; Q333-Y382 HydrophobicContact CG-CD2 3.93Å; Q333-Y382 HydrophobicContact CG-CE2 4.3Å; Q333-Y382 HydrophobicContact CG-CG 4.4Å; V375-Y382 HydrophobicContact CG1-CD2 3.89Å; F379-Y382 HydrophobicContact CB-CD2 3.53Å; F379-Y382 HydrophobicContact CB-CE2 3.74Å; F379-Y382 HydrophobicContact CB-CG 3.97Å; F379-Y382 HydrophobicContact CD2-CD2 4.09Å; F379-Y382 AromaticContact CD2-CE2 3.54Å; F379-Y382 HydrophobicContact CD2-CE2 3.54Å; F379-Y382 HydrophobicContact CE2-CE2 4.32Å; F379-Y382 HydrophobicContact CG-CD2 4.14Å; F379-Y382 AromaticContact CG-CE2 3.82Å; F379-Y382 HydrophobicContact CG-CE2 3.82Å; F379-Y382 WeakPolarHBondContact O-CB 3.33Å; F379-Y382 PolarHBondContact O-N 2.98Å; P380-Y382 PolarHBondContact O-N 2.9Å; Y382-I384 PolarHBondContact O-N 3.09Å; Y382-I384 VanDerWaalsContact O-N 3.15Å; Y382-Q387 PolarHBondContact O-NE2 3.01Å; Y382-H723 AromaticContact CD1-CD2 3.85Å; Y382-H723 AromaticContact CD1-CE1 3.35Å; Y382-H723 WeakPolarHBondContact CD1-CE1 3.14Å; Y382-H723 AromaticContact CD1-CG 3.77Å; Y382-H723 AromaticContact CD1-ND1 3.47Å; Y382-H723 WeakPolarHBondContact CD1-ND1 3.42Å; Y382-H723 AromaticContact CD1-NE2 3.58Å; Y382-H723 AromaticContact CE1-CE1 3.59Å; Y382-H723 AromaticContact CE1-ND1 3.7Å; Y382-H723 AromaticContact CG-NE2 3.92Å; Y382-H723 PolarHBondContact O-CD2 3.12Å |
| 383 | D | 90.6 | Very high | 92 | Very high | 32 Ų | 32 | 26.6 Ų | 26.6 | 17% | 0.171 | 14% | 0.136 | C | C | . | . | trans | 49.5 | 37.2 | -173.1 | -171.9 | 32.9 | 0 | 0 | 0 | 111.7 | P380 Q381 W385 S386 Q387 T724 | P380-D383 PolarHBondContact O-N 3.05Å; P380-D383 VanDerWaalsContact O-N 3.09Å; Q381-D383 VanDerWaalsContact C-N 3.29Å; D383-W385 PolarHBondContact O-N 2.95Å; D383-S386 PolarHBondContact O-N 3.12Å; D383-S386 WeakPolarHBondContact OD1-CB 3.29Å; D383-S386 PolarHBondContact OD1-OG 2.87Å; D383-S386 WeakPolarHBondContact OD2-CB 3.45Å; D383-S386 PolarHBondContact OD2-OG 3.42Å; D383-Q387 PolarHBondContact O-N 2.97Å; D383-T724 HydrophobicContact CB-CG2 4.27Å | ||
| 384 | I | 90.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66 | -30.5 | -171.3 | -167.6 | 62.8 | 0 | 0 | 0 | 111 | Q333 V337 H372 V375 D376 Y382 S386 Q387 F388 | Q333-I384 HydrophobicContact CG-CD1 4.02Å; Q333-I384 VanDerWaalsContact NE2-CD1 3.3Å; V337-I384 HydrophobicContact CG2-CD1 4.08Å; V337-I384 HydrophobicContact CG2-CG1 4.21Å; H372-I384 PolarHBondContact CD2-O 2.89Å; H372-I384 WeakPolarHBondContact O-CG2 2.8Å; V375-I384 HydrophobicContact CB-CG2 4.01Å; V375-I384 HydrophobicContact CG1-CB 4.25Å; V375-I384 HydrophobicContact CG1-CG1 4.29Å; V375-I384 HydrophobicContact CG1-CG2 3.9Å; D376-I384 HydrophobicContact CB-CG2 3.6Å; D376-I384 VanDerWaalsContact N-CG2 3.3Å; Y382-I384 PolarHBondContact O-N 3.09Å; Y382-I384 VanDerWaalsContact O-N 3.15Å; I384-S386 VanDerWaalsContact C-N 3.34Å; I384-S386 PolarHBondContact O-N 2.78Å; I384-Q387 HydrophobicContact CD1-CB 4.27Å; I384-Q387 WeakPolarHBondContact O-CA 3.44Å; I384-Q387 WeakPolarHBondContact O-CB 3.38Å; I384-Q387 PolarHBondContact O-N 2.82Å; I384-F388 PolarHBondContact O-N 3.32Å |
| 385 | W | 92.4 | Very high | 91.3 | Very high | 54 Ų | 54 | 25.3 Ų | 25.3 | 21% | 0.205 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.4 | -38.7 | 178 | -169.4 | -109.2 | 0 | 0 | 0 | 112.5 | W369 H372 F373 D376 D383 Q387 F388 R435 | W369-W385 AromaticContact CE2-CH2 3.93Å; W369-W385 HydrophobicContact CZ2-CH2 4.05Å; W369-W385 AromaticContact NE1-CH2 3.41Å; H372-W385 HydrophobicContact CB-CE3 4Å; H372-W385 HydrophobicContact CB-CZ3 4.18Å; F373-W385 HydrophobicContact CB-CZ3 3.95Å; F373-W385 HydrophobicContact CD2-CH2 4.31Å; F373-W385 HydrophobicContact CD2-CZ3 4.09Å; F373-W385 HydrophobicContact CG-CZ3 4.48Å; D376-W385 HydrophobicContact CB-CB 4.18Å; D376-W385 WeakPolarHBondContact OD1-CB 3.32Å; D376-W385 PolarHBondContact OD1-N 2.78Å; D383-W385 PolarHBondContact O-N 2.95Å; W385-Q387 VanDerWaalsContact C-N 3.28Å; W385-Q387 PolarHBondContact O-N 3.49Å; W385-F388 WeakPolarHBondContact O-CB 3.3Å; W385-F388 PolarHBondContact O-N 2.95Å; W385-R435 HydrophobicContact CH2-CG 4.46Å; W385-R435 HydrophobicContact CZ2-CG 4.12Å |
| 386 | S | 91.3 | Very high | 91 | Very high | 26 Ų | 26 | 25.3 Ų | 25.3 | 18% | 0.182 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.1 | -31.4 | 172.5 | -57.8 | 0 | 0 | 0 | 0 | 111.4 | D383 I384 F388 V389 | D383-S386 PolarHBondContact O-N 3.12Å; D383-S386 WeakPolarHBondContact OD1-CB 3.29Å; D383-S386 PolarHBondContact OD1-OG 2.87Å; D383-S386 WeakPolarHBondContact OD2-CB 3.45Å; D383-S386 PolarHBondContact OD2-OG 3.42Å; I384-S386 VanDerWaalsContact C-N 3.34Å; I384-S386 PolarHBondContact O-N 2.78Å; S386-F388 PolarHBondContact O-N 3.3Å; S386-V389 WeakPolarHBondContact O-CG2 3.27Å |
| 387 | Q | 90.3 | Very high | 91 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.009 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.8 | -17.8 | 174.6 | -59.1 | 177.6 | 45 | 0 | 0 | 114.1 | Y382 D383 I384 W385 V389 S390 L391 F656 N657 | Y382-Q387 PolarHBondContact O-NE2 3.01Å; D383-Q387 PolarHBondContact O-N 2.97Å; I384-Q387 HydrophobicContact CD1-CB 4.27Å; I384-Q387 WeakPolarHBondContact O-CA 3.44Å; I384-Q387 WeakPolarHBondContact O-CB 3.38Å; I384-Q387 PolarHBondContact O-N 2.82Å; W385-Q387 VanDerWaalsContact C-N 3.28Å; W385-Q387 PolarHBondContact O-N 3.49Å; Q387-V389 PolarHBondContact O-N 3.22Å; Q387-S390 PolarHBondContact O-N 3.28Å; Q387-S390 PolarHBondContact O-OG 3.34Å; Q387-L391 HydrophobicContact CB-CD1 3.84Å; Q387-L391 HydrophobicContact CB-CG 4.26Å; Q387-L391 WeakPolarHBondContact O-CB 2.99Å; Q387-L391 WeakPolarHBondContact O-CG 2.96Å; Q387-L391 PolarHBondContact O-N 2.73Å; Q387-F656 HydrophobicContact CG-CD1 4.19Å; Q387-F656 HydrophobicContact CG-CE1 4.11Å; Q387-N657 VanDerWaalsContact CA-OD1 3.26Å; Q387-N657 WeakPolarHBondContact CA-OD1 3.41Å |
| 388 | F | 92 | Very high | 90.7 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -54.5 | -39.3 | 179.4 | -175.5 | -84.9 | 0 | 0 | 0 | 112.8 | H372 I384 W385 S386 H392 M393 A431 | H372-F388 HydrophobicContact CB-CD2 4.31Å; H372-F388 AromaticContact CD2-CD2 3.92Å; H372-F388 AromaticContact CG-CD2 3.89Å; I384-F388 PolarHBondContact O-N 3.32Å; W385-F388 WeakPolarHBondContact O-CB 3.3Å; W385-F388 PolarHBondContact O-N 2.95Å; S386-F388 PolarHBondContact O-N 3.3Å; F388-H392 HydrophobicContact CD2-CB 4.42Å; F388-H392 AromaticContact CD2-CD2 3.88Å; F388-H392 HydrophobicContact CE1-CB 4.32Å; F388-H392 HydrophobicContact CE2-CB 4.19Å; F388-H392 HydrophobicContact CZ-CB 4.13Å; F388-H392 WeakPolarHBondContact O-CA 3.37Å; F388-H392 WeakPolarHBondContact O-CB 2.97Å; F388-H392 PolarHBondContact O-N 2.96Å; F388-M393 PolarHBondContact O-N 3.13Å; F388-A431 HydrophobicContact CE2-CB 3.95Å; F388-A431 HydrophobicContact CZ-CB 3.78Å |
| 389 | V | 92.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.103 | C | C | . | . | I | π-helix | trans | -70 | -36.8 | -175.4 | -60.2 | 0 | 0 | 0 | 0 | 112.5 | S386 Q387 M393 S394 C592 V620 F623 | S386-V389 WeakPolarHBondContact O-CG2 3.27Å; Q387-V389 PolarHBondContact O-N 3.22Å; V389-M393 HydrophobicContact CG1-SD 4.25Å; V389-S394 WeakPolarHBondContact O-CB 3.26Å; V389-S394 PolarHBondContact O-N 2.6Å; V389-C592 HydrophobicContact CG1-CB 3.92Å; V389-V620 HydrophobicContact CG1-CG1 3.92Å; V389-V620 HydrophobicContact CG2-CG1 4.29Å; V389-V620 HydrophobicContact CG2-CG2 4.41Å; V389-F623 HydrophobicContact CB-CD1 3.97Å; V389-F623 HydrophobicContact CB-CE1 3.62Å; V389-F623 HydrophobicContact CB-CZ 4.23Å; V389-F623 HydrophobicContact CG2-CD1 3.48Å; V389-F623 VanDerWaalsContact CG2-CD1 3.48Å; V389-F623 HydrophobicContact CG2-CD2 4.46Å; V389-F623 HydrophobicContact CG2-CE1 3.56Å; V389-F623 HydrophobicContact CG2-CE2 4.49Å; V389-F623 HydrophobicContact CG2-CG 3.97Å; V389-F623 HydrophobicContact CG2-CZ 4.07Å; V389-F623 VanDerWaalsContact O-CZ 3.31Å; V389-F623 WeakPolarHBondContact O-CZ 3.42Å |
| 390 | S | 87.6 | Confident | 90.4 | Very high | 10 Ų | 10 | 18.8 Ų | 18.8 | 7% | 0.07 | 10% | 0.098 | C | C | . | . | I | π-helix | trans | -79.5 | -42.4 | 178.3 | 64 | 0 | 0 | 0 | 0 | 111.4 | Q387 N657 | Q387-S390 PolarHBondContact O-N 3.28Å; Q387-S390 PolarHBondContact O-OG 3.34Å; S390-N657 PolarHBondContact OG-OD1 3.47Å |
| 391 | L | 83.8 | Confident | 90.4 | Very high | 8 Ų | 8 | 15 Ų | 15 | 4% | 0.042 | 7% | 0.074 | C | C | . | . | I | π-helix | trans | -75 | -40 | -176.7 | -65.9 | 179.2 | 0 | 0 | 0 | 113.4 | Q387 S395 R770 C773 | Q387-L391 HydrophobicContact CB-CD1 3.84Å; Q387-L391 HydrophobicContact CB-CG 4.26Å; Q387-L391 WeakPolarHBondContact O-CB 2.99Å; Q387-L391 WeakPolarHBondContact O-CG 2.96Å; Q387-L391 PolarHBondContact O-N 2.73Å; L391-S395 PolarHBondContact O-OG 3.03Å; L391-S395 VanDerWaalsContact O-OG 3.11Å; L391-R770 HydrophobicContact CD2-CB 4.27Å; L391-R770 HydrophobicContact CD2-CG 4.06Å; L391-R770 WeakPolarHBondContact CD2-O 3.4Å; L391-C773 PolarHBondContact O-SG 3.24Å |
| 392 | H | 88.4 | Confident | 90.7 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.057 | C | C | . | . | I | π-helix | trans | -116.5 | -56.5 | -170.6 | -62.9 | -50.8 | 0 | 0 | 0 | 113.4 | R368 E371 H372 F388 S395 A396 S428 | R368-H392 PolarHBondContact NH1-CE1 2.91Å; R368-H392 VanDerWaalsContact NH1-CE1 3.26Å; R368-H392 PolarHBondContact NH1-ND1 2.97Å; E371-H392 IonicContact OE1-NE2 2.8Å; H372-H392 AromaticContact CE1-CD2 3.31Å; H372-H392 PolarHBondContact CE1-CD2 3.46Å; H372-H392 AromaticContact CE1-NE2 2.91Å; H372-H392 PolarHBondContact CE1-NE2 3Å; H372-H392 AromaticContact ND1-NE2 3.86Å; H372-H392 AromaticContact NE2-CD2 3.45Å; H372-H392 PolarHBondContact NE2-CD2 2.54Å; H372-H392 AromaticContact NE2-NE2 3.35Å; H372-H392 PolarHBondContact NE2-NE2 3.17Å; F388-H392 HydrophobicContact CD2-CB 4.42Å; F388-H392 AromaticContact CD2-CD2 3.88Å; F388-H392 HydrophobicContact CE1-CB 4.32Å; F388-H392 HydrophobicContact CE2-CB 4.19Å; F388-H392 HydrophobicContact CZ-CB 4.13Å; F388-H392 WeakPolarHBondContact O-CA 3.37Å; F388-H392 WeakPolarHBondContact O-CB 2.97Å; F388-H392 PolarHBondContact O-N 2.96Å; H392-S395 PolarHBondContact O-N 2.97Å; H392-A396 VanDerWaalsContact O-CB 3.3Å; H392-A396 WeakPolarHBondContact O-CB 3.45Å; H392-A396 PolarHBondContact O-N 3.03Å; H392-S428 PolarHBondContact ND1-OG 3.46Å |
| 393 | M | 92 | Very high | 90.8 | Very high | 6 Ų | 6 | 15.8 Ų | 15.8 | 3% | 0.03 | 8% | 0.076 | C | C | . | . | I | π-helix | trans | -62.7 | -52.6 | -172.3 | -173.7 | 177 | 167.2 | 0 | 0 | 112.1 | F388 V389 S395 A396 M397 C592 G594 Y595 | F388-M393 PolarHBondContact O-N 3.13Å; V389-M393 HydrophobicContact CG1-SD 4.25Å; M393-S395 VanDerWaalsContact C-N 3.35Å; M393-S395 PolarHBondContact O-N 2.94Å; M393-A396 PolarHBondContact O-N 3.46Å; M393-M397 HydrophobicContact CE-CE 3.32Å; M393-M397 HydrophobicContact CE-SD 4.18Å; M393-M397 HydrophobicContact CG-CE 4.1Å; M393-M397 HydrophobicContact CG-SD 4.19Å; M393-M397 WeakPolarHBondContact O-CB 3.5Å; M393-M397 WeakPolarHBondContact O-CG 3.5Å; M393-M397 PolarHBondContact O-N 3.42Å; M393-C592 HydrophobicContact CE-CB 3.94Å; M393-C592 HydrophobicContact SD-CB 3.82Å; M393-G594 WeakPolarHBondContact CE-O 3.49Å; M393-Y595 HydrophobicContact CG-CD2 4.13Å; M393-Y595 HydrophobicContact CG-CE2 4.19Å |
| 394 | S | 91.3 | Very high | 90.7 | Very high | 2 Ų | 2 | 17.9 Ų | 17.9 | 1% | 0.014 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.7 | -41.1 | 178.1 | 172 | 0 | 0 | 0 | 0 | 112.1 | V389 M397 K398 E661 | V389-S394 WeakPolarHBondContact O-CB 3.26Å; V389-S394 PolarHBondContact O-N 2.6Å; S394-M397 PolarHBondContact O-N 3.28Å; S394-K398 WeakPolarHBondContact O-CD 3.28Å; S394-K398 VanDerWaalsContact O-CG 3.27Å; S394-K398 WeakPolarHBondContact O-CG 3.39Å; S394-K398 PolarHBondContact O-N 2.66Å; S394-K398 WeakPolarHBondContact OG-CE 2.89Å; S394-K398 PolarHBondContact OG-NZ 3.35Å; S394-E661 PolarHBondContact OG-OE2 2.72Å |
| 395 | S | 85.4 | Confident | 90.8 | Very high | 10 Ų | 10 | 18.4 Ų | 18.4 | 7% | 0.07 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.7 | -45.6 | 176.6 | -63.9 | 0 | 0 | 0 | 0 | 112.1 | L391 H392 M393 K398 L399 G772 C773 | L391-S395 PolarHBondContact O-OG 3.03Å; L391-S395 VanDerWaalsContact O-OG 3.11Å; H392-S395 PolarHBondContact O-N 2.97Å; M393-S395 VanDerWaalsContact C-N 3.35Å; M393-S395 PolarHBondContact O-N 2.94Å; S395-K398 PolarHBondContact O-N 2.87Å; S395-L399 PolarHBondContact O-N 3.14Å; S395-G772 WeakPolarHBondContact OG-CA 3.42Å; S395-C773 PolarHBondContact OG-N 2.93Å |
| 396 | A | 91.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63.7 | -44.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | H392 M393 K398 L399 D400 K429 Y595 | H392-A396 VanDerWaalsContact O-CB 3.3Å; H392-A396 WeakPolarHBondContact O-CB 3.45Å; H392-A396 PolarHBondContact O-N 3.03Å; M393-A396 PolarHBondContact O-N 3.46Å; A396-K398 VanDerWaalsContact C-N 3.29Å; A396-K398 PolarHBondContact O-N 3.49Å; A396-L399 PolarHBondContact O-N 2.8Å; A396-L399 VanDerWaalsContact O-N 3.14Å; A396-D400 WeakPolarHBondContact O-CB 3.14Å; A396-D400 PolarHBondContact O-N 3.2Å; A396-K429 HydrophobicContact CB-CB 4.12Å; A396-Y595 HydrophobicContact CB-CE2 4.29Å; A396-Y595 WeakPolarHBondContact CB-OH 3.03Å |
| 397 | M | 94.4 | Very high | 90.8 | Very high | 3 Ų | 3 | 16.4 Ų | 16.4 | 2% | 0.015 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -61.2 | -38.5 | 178 | -75.5 | 179.5 | 164.7 | 0 | 0 | 111.9 | M393 S394 L399 D400 S401 Y492 Y595 R597 | M393-M397 HydrophobicContact CE-CE 3.32Å; M393-M397 HydrophobicContact CE-SD 4.18Å; M393-M397 HydrophobicContact CG-CE 4.1Å; M393-M397 HydrophobicContact CG-SD 4.19Å; M393-M397 WeakPolarHBondContact O-CB 3.5Å; M393-M397 WeakPolarHBondContact O-CG 3.5Å; M393-M397 PolarHBondContact O-N 3.42Å; S394-M397 PolarHBondContact O-N 3.28Å; M397-L399 VanDerWaalsContact C-N 3.31Å; M397-L399 PolarHBondContact O-N 2.67Å; M397-D400 PolarHBondContact O-N 3.39Å; M397-S401 WeakPolarHBondContact O-CB 3.21Å; M397-S401 PolarHBondContact O-N 3.38Å; M397-S401 PolarHBondContact O-OG 3.47Å; M397-Y492 HydrophobicContact CB-CE1 3.77Å; M397-Y492 HydrophobicContact CG-CD1 4.34Å; M397-Y492 HydrophobicContact CG-CE1 3.89Å; M397-Y492 VanDerWaalsContact O-CE1 3.28Å; M397-Y492 WeakPolarHBondContact O-CE1 3.24Å; M397-Y492 PolarHBondContact O-OH 2.95Å; M397-Y492 VanDerWaalsContact O-OH 3.14Å; M397-Y595 HydrophobicContact CE-CD2 3.77Å; M397-Y595 HydrophobicContact CE-CE2 4.05Å; M397-Y595 HydrophobicContact CE-CG 4.04Å; M397-Y595 HydrophobicContact CG-CD2 4.38Å; M397-Y595 HydrophobicContact CG-CE1 4.31Å; M397-Y595 HydrophobicContact CG-CE2 3.71Å; M397-Y595 PolarHBondContact N-OH 2.97Å; M397-R597 HydrophobicContact SD-CG 4.49Å |
| 398 | K | 91.1 | Very high | 91.1 | Very high | 58 Ų | 58 | 16.5 Ų | 16.5 | 25% | 0.252 | 8% | 0.081 | S | C | . | . | H | α-helix | trans | -63.7 | -32.5 | 176 | -73.9 | 164.7 | -179.9 | 164.1 | 0 | 113.1 | S394 S395 A396 S401 E661 S664 | S394-K398 WeakPolarHBondContact O-CD 3.28Å; S394-K398 VanDerWaalsContact O-CG 3.27Å; S394-K398 WeakPolarHBondContact O-CG 3.39Å; S394-K398 PolarHBondContact O-N 2.66Å; S394-K398 WeakPolarHBondContact OG-CE 2.89Å; S394-K398 PolarHBondContact OG-NZ 3.35Å; S395-K398 PolarHBondContact O-N 2.87Å; A396-K398 VanDerWaalsContact C-N 3.29Å; A396-K398 PolarHBondContact O-N 3.49Å; K398-S401 PolarHBondContact O-OG 3.42Å; K398-E661 IonicContact NZ-OE1 2.9Å; K398-E661 PolarHBondContact NZ-OE1 3.29Å; K398-E661 IonicContact NZ-OE2 2.61Å; K398-E661 PolarHBondContact NZ-OE2 3.14Å; K398-E661 VanDerWaalsContact NZ-OE2 3.16Å; K398-S664 PolarHBondContact NZ-OG 3.22Å |
| 399 | L | 89.1 | Confident | 91.2 | Very high | 15 Ų | 15 | 17.6 Ų | 17.6 | 8% | 0.079 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -80.2 | -41.1 | 174.4 | -173.4 | 63.6 | 0 | 0 | 0 | 111.5 | S395 A396 M397 S401 L402 D423 L424 V425 | S395-L399 PolarHBondContact O-N 3.14Å; A396-L399 PolarHBondContact O-N 2.8Å; A396-L399 VanDerWaalsContact O-N 3.14Å; M397-L399 VanDerWaalsContact C-N 3.31Å; M397-L399 PolarHBondContact O-N 2.67Å; L399-S401 VanDerWaalsContact C-N 3.32Å; L399-S401 PolarHBondContact O-N 2.92Å; L399-L402 HydrophobicContact CD1-CD1 4.17Å; L399-L402 WeakPolarHBondContact O-CB 3.31Å; L399-L402 WeakPolarHBondContact O-CG 3.05Å; L399-L402 PolarHBondContact O-N 3.11Å; L399-D423 HydrophobicContact CD2-CB 4.19Å; L399-L424 HydrophobicContact CB-CB 4.16Å; L399-L424 HydrophobicContact CB-CD1 4.18Å; L399-L424 HydrophobicContact CD2-CB 3.64Å; L399-L424 HydrophobicContact CD2-CD1 4.3Å; L399-L424 HydrophobicContact CD2-CG 4.22Å; L399-V425 HydrophobicContact CD2-CG2 4.11Å; L399-V425 HydrophobicContact CG-CG2 4.44Å |
| 400 | D | 93.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -78.3 | -14.3 | -173.4 | -162.6 | 34.4 | 0 | 0 | 0 | 113.9 | A396 M397 L402 S405 K429 G491 Y492 | A396-D400 WeakPolarHBondContact O-CB 3.14Å; A396-D400 PolarHBondContact O-N 3.2Å; M397-D400 PolarHBondContact O-N 3.39Å; D400-L402 PolarHBondContact O-N 2.98Å; D400-S405 WeakPolarHBondContact CA-OG 3.21Å; D400-S405 PolarHBondContact OD1-OG 2.95Å; D400-K429 IonicContact OD1-NZ 3.47Å; D400-K429 WeakPolarHBondContact OD2-CD 2.78Å; D400-K429 VanDerWaalsContact OD2-CE 3.23Å; D400-K429 WeakPolarHBondContact OD2-CE 3.49Å; D400-K429 IonicContact OD2-NZ 2.82Å; D400-K429 PolarHBondContact OD2-NZ 3.44Å; D400-G491 VanDerWaalsContact CG-CA 3.47Å; D400-G491 WeakPolarHBondContact OD1-CA 2.97Å; D400-G491 PolarHBondContact OD1-N 2.64Å; D400-G491 VanDerWaalsContact OD2-C 3.24Å; D400-G491 VanDerWaalsContact OD2-CA 3.23Å; D400-G491 WeakPolarHBondContact OD2-CA 3.46Å; D400-G491 PolarHBondContact OD2-N 3.11Å; D400-Y492 HydrophobicContact CB-CD1 4.03Å; D400-Y492 HydrophobicContact CB-CE1 4.07Å |
| 401 | S | 94.6 | Very high | 91 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -6.9 | 171.8 | 61.8 | 0 | 0 | 0 | 0 | 114.2 | M397 K398 L399 Y492 L516 D517 | M397-S401 WeakPolarHBondContact O-CB 3.21Å; M397-S401 PolarHBondContact O-N 3.38Å; M397-S401 PolarHBondContact O-OG 3.47Å; K398-S401 PolarHBondContact O-OG 3.42Å; L399-S401 VanDerWaalsContact C-N 3.32Å; L399-S401 PolarHBondContact O-N 2.92Å; S401-Y492 WeakPolarHBondContact CB-OH 3.19Å; S401-L516 WeakPolarHBondContact O-CA 3.41Å; S401-L516 VanDerWaalsContact O-CD2 3.25Å; S401-L516 WeakPolarHBondContact O-CD2 2.78Å; S401-D517 WeakPolarHBondContact CB-OD1 2.99Å; S401-D517 PolarHBondContact O-N 2.97Å; S401-D517 PolarHBondContact OG-OD1 3Å; S401-D517 VanDerWaalsContact OG-OD1 3.08Å; S401-D517 PolarHBondContact OG-OD2 3.09Å; S401-D517 VanDerWaalsContact OG-OD2 3.09Å |
| 402 | L | 92.9 | Very high | 91 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -80.3 | 151.5 | 178.7 | -57.3 | -180 | 0 | 0 | 0 | 111.5 | L399 D400 H404 S405 Q942 E945 L949 | L399-L402 HydrophobicContact CD1-CD1 4.17Å; L399-L402 WeakPolarHBondContact O-CB 3.31Å; L399-L402 WeakPolarHBondContact O-CG 3.05Å; L399-L402 PolarHBondContact O-N 3.11Å; D400-L402 PolarHBondContact O-N 2.98Å; L402-H404 VanDerWaalsContact C-N 3.27Å; L402-H404 PolarHBondContact O-N 3.09Å; L402-S405 WeakPolarHBondContact O-CB 2.93Å; L402-S405 PolarHBondContact O-N 3.03Å; L402-Q942 HydrophobicContact CD1-CB 3.8Å; L402-Q942 HydrophobicContact CD1-CG 3.88Å; L402-E945 WeakPolarHBondContact CA-OE1 3.3Å; L402-E945 HydrophobicContact CD2-CG 4.09Å; L402-L949 HydrophobicContact CD2-CD1 3.86Å |
| 403 | K | 92.2 | Very high | 90.4 | Very high | 105 Ų | 105 | 26.9 Ų | 26.9 | 46% | 0.457 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -36.3 | 172 | -68 | 178.4 | -179.1 | 178.8 | 0 | 111.1 | S405 L516 S520 E945 | K403-S405 VanDerWaalsContact C-N 3.3Å; K403-S405 PolarHBondContact O-N 3.46Å; K403-L516 HydrophobicContact CG-CD1 4.36Å; K403-L516 HydrophobicContact CG-CD2 4.41Å; K403-S520 WeakPolarHBondContact CE-OG 2.89Å; K403-S520 PolarHBondContact NZ-OG 3.47Å; K403-E945 PolarHBondContact N-OE1 2.75Å; K403-E945 PolarHBondContact N-OE2 2.95Å; K403-E945 VanDerWaalsContact N-OE2 3.15Å |
| 404 | H | 89.5 | Confident | 89.6 | Confident | 76 Ų | 76 | 28.2 Ų | 28.2 | 35% | 0.352 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 40.2 | 177.9 | -56.6 | 86.7 | 0 | 0 | 0 | 112.7 | L402 R938 Y941 Q942 E945 | L402-H404 VanDerWaalsContact C-N 3.27Å; L402-H404 PolarHBondContact O-N 3.09Å; H404-R938 WeakPolarHBondContact O-CD 3.18Å; H404-R938 VanDerWaalsContact O-CG 3.22Å; H404-R938 WeakPolarHBondContact O-CG 3.3Å; H404-Y941 VanDerWaalsContact CD2-CB 3.4Å; H404-Y941 WeakPolarHBondContact CD2-CB 3.13Å; H404-Y941 AromaticContact CD2-CG 3.91Å; H404-Y941 AromaticContact NE2-CG 3.88Å; H404-Q942 HydrophobicContact CB-CG 3.93Å; H404-Q942 WeakPolarHBondContact O-CG 3.5Å; H404-Q942 PolarHBondContact O-NE2 2.91Å; H404-E945 IonicContact CE1-OE2 3.26Å; H404-E945 IonicContact CG-OE2 4Å; H404-E945 PolarHBondContact N-OE2 3.34Å; H404-E945 IonicContact ND1-OE2 3.7Å; H404-E945 PolarHBondContact ND1-OE2 3.01Å |
| 405 | S | 91.2 | Very high | 88.6 | Confident | 11 Ų | 11 | 28.6 Ų | 28.6 | 8% | 0.077 | 15% | 0.147 | C | C | . | . | trans | -85.2 | -167.3 | 169.9 | -176.3 | 0 | 0 | 0 | 0 | 110.9 | D400 L402 K403 M490 | D400-S405 WeakPolarHBondContact CA-OG 3.21Å; D400-S405 PolarHBondContact OD1-OG 2.95Å; L402-S405 WeakPolarHBondContact O-CB 2.93Å; L402-S405 PolarHBondContact O-N 3.03Å; K403-S405 VanDerWaalsContact C-N 3.3Å; K403-S405 PolarHBondContact O-N 3.46Å; S405-M490 VanDerWaalsContact CB-SD 3.6Å | ||
| 406 | H | 90.5 | Very high | 88 | Confident | 7 Ų | 7 | 29.9 Ų | 29.9 | 3% | 0.032 | 15% | 0.154 | C | C | . | . | trans | -147.8 | 160.7 | 171.4 | 66.8 | 87.2 | 0 | 0 | 0 | 111.5 | V410 D423 V425 R938 | H406-V410 HydrophobicContact CB-CG2 4.12Å; H406-V410 WeakPolarHBondContact ND1-CG2 3.4Å; H406-D423 IonicContact CD2-OD2 2.77Å; H406-D423 PolarHBondContact CD2-OD2 3.44Å; H406-D423 IonicContact CE1-OD1 3.35Å; H406-D423 IonicContact NE2-OD1 3.32Å; H406-D423 PolarHBondContact NE2-OD1 3.13Å; H406-D423 VanDerWaalsContact NE2-OD1 3.13Å; H406-D423 IonicContact NE2-OD2 3.44Å; H406-D423 PolarHBondContact NE2-OD2 3.05Å; H406-V425 WeakPolarHBondContact O-CG1 3.18Å; H406-R938 VanDerWaalsContact CD2-CZ 3.45Å | ||
| 407 | P | 94.4 | Very high | 87.1 | Confident | 30 Ų | 30 | 32.3 Ų | 32.3 | 20% | 0.195 | 17% | 0.166 | C | C | . | . | trans | -66.5 | 165.1 | 168.9 | 29.8 | -37.1 | 0 | 0 | 0 | 111.9 | E409 V410 T487 | P407-E409 VanDerWaalsContact CG-O 3.32Å; P407-E409 WeakPolarHBondContact CG-O 2.73Å; P407-V410 HydrophobicContact CG-CG2 4.45Å; P407-V410 WeakPolarHBondContact O-CG2 3.48Å; P407-T487 WeakPolarHBondContact CB-O 3.44Å | ||
| 408 | I | 95.3 | Very high | 86.3 | Confident | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -64.8 | -45.9 | 173.3 | -65.4 | 172.1 | 0 | 0 | 0 | 110.4 | F361 V410 V425 K429 S430 I433 T487 | F361-I408 HydrophobicContact CB-CG2 3.36Å; F361-I408 HydrophobicContact CD1-CG2 3.6Å; F361-I408 HydrophobicContact CD2-CG2 4.1Å; F361-I408 HydrophobicContact CE1-CG2 4.44Å; F361-I408 HydrophobicContact CG-CG2 3.39Å; I408-V410 PolarHBondContact O-N 3.4Å; I408-V425 HydrophobicContact CG1-CG1 4.09Å; I408-K429 HydrophobicContact CD1-CD 4.03Å; I408-K429 HydrophobicContact CD1-CG 3.97Å; I408-K429 HydrophobicContact CG1-CD 3.83Å; I408-K429 HydrophobicContact CG1-CG 4.21Å; I408-S430 VanDerWaalsContact CG2-OG 3.32Å; I408-S430 WeakPolarHBondContact CG2-OG 3.42Å; I408-I433 HydrophobicContact CD1-CG1 4.05Å; I408-T487 HydrophobicContact CB-CG2 4.49Å; I408-T487 HydrophobicContact CD1-CG2 4.11Å; I408-T487 PolarHBondContact N-O 3.04Å |
| 409 | E | 94.9 | Very high | 85.4 | Confident | 23 Ų | 23 | 30.2 Ų | 30.2 | 11% | 0.107 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -84.1 | 98.8 | 174.2 | -71.6 | 172.6 | -125.9 | 0 | 0 | 109.1 | T358 F361 P407 T487 K488 | T358-E409 HydrophobicContact CG2-CB 4.18Å; T358-E409 WeakPolarHBondContact O-CA 3.36Å; F361-E409 HydrophobicContact CD1-CG 4.42Å; F361-E409 HydrophobicContact CE1-CG 3.97Å; P407-E409 VanDerWaalsContact CG-O 3.32Å; P407-E409 WeakPolarHBondContact CG-O 2.73Å; E409-T487 PolarHBondContact N-O 3.36Å; E409-T487 WeakPolarHBondContact OE1-CB 3.34Å; E409-T487 PolarHBondContact OE1-OG1 3.21Å; E409-K488 HydrophobicContact CB-CG 4.46Å; E409-K488 WeakPolarHBondContact OE2-CE 3.46Å; E409-K488 WeakPolarHBondContact OE2-CG 3.13Å |
| 410 | V | 89.5 | Confident | 84.6 | Confident | 18 Ų | 18 | 29.9 Ų | 29.9 | 11% | 0.109 | 16% | 0.157 | C | C | . | . | trans | -100.8 | 118.6 | 178.7 | -174.5 | 0 | 0 | 0 | 0 | 109.6 | T358 H406 P407 I408 I412 I421 | T358-V410 VanDerWaalsContact CA-O 3.29Å; T358-V410 WeakPolarHBondContact CA-O 3.17Å; T358-V410 PolarHBondContact OG1-O 3.49Å; H406-V410 HydrophobicContact CB-CG2 4.12Å; H406-V410 WeakPolarHBondContact ND1-CG2 3.4Å; P407-V410 HydrophobicContact CG-CG2 4.45Å; P407-V410 WeakPolarHBondContact O-CG2 3.48Å; I408-V410 PolarHBondContact O-N 3.4Å; V410-I412 HydrophobicContact CB-CD1 4.35Å; V410-I412 HydrophobicContact CG1-CD1 4.05Å; V410-I412 PolarHBondContact O-N 3.41Å; V410-I421 HydrophobicContact CB-CG2 3.98Å; V410-I421 HydrophobicContact CG1-CG2 3.93Å; V410-I421 HydrophobicContact CG2-CG2 3.84Å | ||
| 411 | P | 86.7 | Confident | 83.9 | Confident | 87 Ų | 87 | 30 Ų | 30 | 57% | 0.565 | 16% | 0.157 | S | C | * | . | trans | -61.4 | 106.2 | 171.7 | -20.6 | 32.6 | 0 | 0 | 0 | 110 | ||||
| 412 | I | 82.9 | Confident | 83 | Confident | 7 Ų | 7 | 31.2 Ų | 31.2 | 4% | 0.036 | 16% | 0.162 | C | C | . | . | trans | -85.4 | 116.1 | 176.2 | -62.3 | -54.4 | 0 | 0 | 0 | 108.7 | W356 W357 V410 D414 E417 V418 I421 | W356-I412 PolarHBondContact NE1-O 3.28Å; W356-I412 VanDerWaalsContact NE1-O 3.11Å; W357-I412 HydrophobicContact CB-CB 4.31Å; W357-I412 HydrophobicContact CB-CG1 3.89Å; V410-I412 HydrophobicContact CB-CD1 4.35Å; V410-I412 HydrophobicContact CG1-CD1 4.05Å; V410-I412 PolarHBondContact O-N 3.41Å; I412-D414 WeakPolarHBondContact CG2-O 3.47Å; I412-E417 HydrophobicContact CD1-CB 4.28Å; I412-V418 HydrophobicContact CG1-CG2 4.36Å; I412-V418 HydrophobicContact CG2-CG2 3.64Å; I412-I421 HydrophobicContact CD1-CD1 3.89Å; I412-I421 HydrophobicContact CD1-CG1 4.18Å; I412-I421 HydrophobicContact CD1-CG2 4.08Å; I412-I421 HydrophobicContact CG1-CD1 4.17Å | ||
| 413 | Q | 75.7 | Confident | 82.3 | Confident | 102 Ų | 102 | 31.2 Ų | 31.2 | 48% | 0.477 | 16% | 0.162 | S | C | . | . | trans | -90.4 | -64.4 | 170.7 | -60.5 | -60.1 | -39.6 | 0 | 0 | 108.1 | F37 E417 | F37-Q413 WeakPolarHBondContact CB-O 3.19Å; F37-Q413 WeakPolarHBondContact CD1-O 3.46Å; F37-Q413 WeakPolarHBondContact CG-O 3.28Å; Q413-E417 PolarHBondContact N-OE2 2.87Å | ||
| 414 | D | 74.4 | Confident | 82 | Confident | 34 Ų | 34 | 27.1 Ų | 27.1 | 18% | 0.182 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -91.8 | 132 | -179.7 | -175.1 | -24.3 | 0 | 0 | 0 | 111.5 | I412 V416 E417 | I412-D414 WeakPolarHBondContact CG2-O 3.47Å; D414-V416 HydrophobicContact CB-CG1 4.15Å; D414-V416 VanDerWaalsContact CG-CG1 3.43Å; D414-V416 PolarHBondContact O-N 2.95Å; D414-V416 WeakPolarHBondContact OD1-CG1 3.29Å; D414-V416 PolarHBondContact OD1-N 2.89Å; D414-V416 WeakPolarHBondContact OD2-CG1 3.39Å; D414-E417 HydrophobicContact CB-CG 4.06Å; D414-E417 PolarHBondContact N-OE2 3.45Å; D414-E417 WeakPolarHBondContact O-CA 3.12Å; D414-E417 WeakPolarHBondContact O-CB 3.18Å; D414-E417 PolarHBondContact O-N 3.46Å |
| 415 | P | 71.2 | Confident | 82 | Confident | 9 Ų | 9 | 23.5 Ų | 23.5 | 6% | 0.058 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -47 | -30.9 | 170.1 | -32.8 | 37.8 | 0 | 0 | 0 | 116 | F37 T185 E417 V418 | F37-P415 HydrophobicContact CD2-CG 4.04Å; F37-P415 HydrophobicContact CE1-CG 4.21Å; F37-P415 HydrophobicContact CE2-CG 3.41Å; F37-P415 VanDerWaalsContact CE2-CG 3.41Å; F37-P415 HydrophobicContact CZ-CG 3.49Å; F37-P415 VanDerWaalsContact CZ-CG 3.49Å; T185-P415 HydrophobicContact CG2-CB 4.02Å; P415-E417 PolarHBondContact O-N 3.04Å; P415-V418 WeakPolarHBondContact O-CB 3.19Å; P415-V418 VanDerWaalsContact O-CG2 3.26Å; P415-V418 WeakPolarHBondContact O-CG2 3.47Å; P415-V418 PolarHBondContact O-N 2.82Å |
| 416 | V | 71.7 | Confident | 81.9 | Confident | 37 Ų | 37 | 23 Ų | 23 | 22% | 0.224 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.5 | -21.2 | 176.1 | 81.9 | 0 | 0 | 0 | 0 | 112.5 | D414 V418 | D414-V416 HydrophobicContact CB-CG1 4.15Å; D414-V416 VanDerWaalsContact CG-CG1 3.43Å; D414-V416 PolarHBondContact O-N 2.95Å; D414-V416 WeakPolarHBondContact OD1-CG1 3.29Å; D414-V416 PolarHBondContact OD1-N 2.89Å; D414-V416 WeakPolarHBondContact OD2-CG1 3.39Å; V416-V418 VanDerWaalsContact C-N 3.33Å |
| 417 | E | 73.4 | Confident | 81.9 | Confident | 51 Ų | 51 | 23.2 Ų | 23.2 | 24% | 0.238 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -76.2 | -21.9 | 176.9 | -61.7 | 172.2 | 162.1 | 0 | 0 | 112.2 | I412 Q413 D414 P415 D419 S420 | I412-E417 HydrophobicContact CD1-CB 4.28Å; Q413-E417 PolarHBondContact N-OE2 2.87Å; D414-E417 HydrophobicContact CB-CG 4.06Å; D414-E417 PolarHBondContact N-OE2 3.45Å; D414-E417 WeakPolarHBondContact O-CA 3.12Å; D414-E417 WeakPolarHBondContact O-CB 3.18Å; D414-E417 PolarHBondContact O-N 3.46Å; P415-E417 PolarHBondContact O-N 3.04Å; E417-D419 PolarHBondContact O-N 3.17Å; E417-S420 WeakPolarHBondContact O-CA 3.16Å; E417-S420 WeakPolarHBondContact O-CB 3.03Å; E417-S420 PolarHBondContact O-N 2.81Å; E417-S420 PolarHBondContact O-OG 3.38Å |
| 418 | V | 76.8 | Confident | 81.7 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.3 | -42.6 | -179.1 | -169.7 | 0 | 0 | 0 | 0 | 109.7 | S184 W357 I412 P415 V416 S420 I421 Y422 | S184-V418 WeakPolarHBondContact OG-CG1 3.49Å; W357-V418 HydrophobicContact CB-CG1 3.94Å; W357-V418 HydrophobicContact CB-CG2 3.83Å; W357-V418 HydrophobicContact CD2-CG1 3.76Å; W357-V418 HydrophobicContact CD2-CG2 4.19Å; W357-V418 HydrophobicContact CE3-CG1 3.74Å; W357-V418 HydrophobicContact CG-CB 4.43Å; W357-V418 HydrophobicContact CG-CG1 3.82Å; W357-V418 HydrophobicContact CG-CG2 3.6Å; I412-V418 HydrophobicContact CG1-CG2 4.36Å; I412-V418 HydrophobicContact CG2-CG2 3.64Å; P415-V418 WeakPolarHBondContact O-CB 3.19Å; P415-V418 VanDerWaalsContact O-CG2 3.26Å; P415-V418 WeakPolarHBondContact O-CG2 3.47Å; P415-V418 PolarHBondContact O-N 2.82Å; V416-V418 VanDerWaalsContact C-N 3.33Å; V418-S420 PolarHBondContact O-N 3.2Å; V418-S420 VanDerWaalsContact O-N 3.11Å; V418-I421 HydrophobicContact CG1-CG1 4.46Å; V418-I421 WeakPolarHBondContact O-CG1 2.99Å; V418-I421 PolarHBondContact O-N 3Å; V418-Y422 HydrophobicContact CG1-CD2 4.34Å; V418-Y422 HydrophobicContact CG1-CE2 3.61Å; V418-Y422 VanDerWaalsContact O-CD2 3.25Å; V418-Y422 WeakPolarHBondContact O-CD2 3.28Å; V418-Y422 PolarHBondContact O-N 3.32Å |
| 419 | D | 73.1 | Confident | 81.7 | Confident | 17 Ų | 17 | 21.6 Ų | 21.6 | 9% | 0.091 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58 | -28.9 | 176.7 | -70.1 | -43.4 | 0 | 0 | 0 | 113.1 | E417 I421 T884 Y888 K891 | E417-D419 PolarHBondContact O-N 3.17Å; D419-I421 VanDerWaalsContact C-N 3.33Å; D419-I421 PolarHBondContact O-N 3.35Å; D419-T884 HydrophobicContact CB-CG2 3.78Å; D419-T884 WeakPolarHBondContact OD2-CG2 3.2Å; D419-Y888 HydrophobicContact CB-CE1 3.76Å; D419-Y888 PolarHBondContact OD1-OH 3.49Å; D419-K891 PolarHBondContact O-NZ 2.85Å |
| 420 | S | 71.1 | Confident | 81.7 | Confident | 9 Ų | 9 | 20.6 Ų | 20.6 | 6% | 0.063 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -69.6 | -30.1 | 177 | 84.4 | 0 | 0 | 0 | 0 | 112.3 | E417 V418 K891 R938 | E417-S420 WeakPolarHBondContact O-CA 3.16Å; E417-S420 WeakPolarHBondContact O-CB 3.03Å; E417-S420 PolarHBondContact O-N 2.81Å; E417-S420 PolarHBondContact O-OG 3.38Å; V418-S420 PolarHBondContact O-N 3.2Å; V418-S420 VanDerWaalsContact O-N 3.11Å; S420-K891 VanDerWaalsContact C-NZ 3.28Å; S420-K891 VanDerWaalsContact O-CE 3.3Å; S420-K891 WeakPolarHBondContact O-CE 3.49Å; S420-K891 PolarHBondContact O-NZ 3.46Å; S420-R938 PolarHBondContact O-NH2 3.09Å; S420-R938 PolarHBondContact OG-NH2 3.37Å |
| 421 | I | 79.2 | Confident | 82.1 | Confident | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -92.8 | -6.9 | -175.2 | 65.6 | 155.8 | 0 | 0 | 0 | 113.8 | L360 V410 I412 V418 D419 D423 S426 | L360-I421 HydrophobicContact CB-CD1 4.26Å; L360-I421 HydrophobicContact CD2-CD1 3.83Å; L360-I421 HydrophobicContact CD2-CG1 4.08Å; V410-I421 HydrophobicContact CB-CG2 3.98Å; V410-I421 HydrophobicContact CG1-CG2 3.93Å; V410-I421 HydrophobicContact CG2-CG2 3.84Å; I412-I421 HydrophobicContact CD1-CD1 3.89Å; I412-I421 HydrophobicContact CD1-CG1 4.18Å; I412-I421 HydrophobicContact CD1-CG2 4.08Å; I412-I421 HydrophobicContact CG1-CD1 4.17Å; V418-I421 HydrophobicContact CG1-CG1 4.46Å; V418-I421 WeakPolarHBondContact O-CG1 2.99Å; V418-I421 PolarHBondContact O-N 3Å; D419-I421 VanDerWaalsContact C-N 3.33Å; D419-I421 PolarHBondContact O-N 3.35Å; I421-D423 PolarHBondContact O-N 3.32Å; I421-S426 WeakPolarHBondContact O-CB 2.93Å; I421-S426 PolarHBondContact O-OG 3.11Å |
| 422 | Y | 76.3 | Confident | 82.5 | Confident | 26 Ų | 26 | 15.8 Ų | 15.8 | 10% | 0.102 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | 77.3 | 167.6 | -76.5 | -89 | 0 | 0 | 0 | 110.6 | E183 S184 W357 L360 E364 V418 Y427 K891 | E183-Y422 WeakPolarHBondContact CG-OH 3.3Å; E183-Y422 PolarHBondContact OE1-OH 3.1Å; S184-Y422 WeakPolarHBondContact OG-CE2 3.05Å; S184-Y422 PolarHBondContact OG-OH 3.49Å; W357-Y422 WeakPolarHBondContact CZ3-OH 2.97Å; L360-Y422 HydrophobicContact CD1-CE1 3.86Å; L360-Y422 HydrophobicContact CD2-CD1 4.05Å; L360-Y422 HydrophobicContact CD2-CD2 4.27Å; L360-Y422 HydrophobicContact CD2-CE1 3.85Å; L360-Y422 HydrophobicContact CD2-CE2 4.1Å; L360-Y422 HydrophobicContact CD2-CG 4.24Å; L360-Y422 HydrophobicContact CG-CE1 4.43Å; E364-Y422 HydrophobicContact CG-CE1 4.36Å; V418-Y422 HydrophobicContact CG1-CD2 4.34Å; V418-Y422 HydrophobicContact CG1-CE2 3.61Å; V418-Y422 VanDerWaalsContact O-CD2 3.25Å; V418-Y422 WeakPolarHBondContact O-CD2 3.28Å; V418-Y422 PolarHBondContact O-N 3.32Å; Y422-Y427 AromaticContact CD1-CE2 3.76Å; Y422-Y427 HydrophobicContact CD1-CE2 3.76Å; Y422-Y427 AromaticContact CD1-CZ 3.98Å; Y422-Y427 VanDerWaalsContact CD1-OH 3.28Å; Y422-Y427 WeakPolarHBondContact CD1-OH 3.14Å; Y422-K891 PolarHBondContact O-NZ 3.36Å |
| 423 | D | 79.5 | Confident | 83.1 | Confident | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -144.3 | -168.7 | -173.1 | 80.3 | 7.7 | 0 | 0 | 0 | 113.7 | L399 H406 I421 V425 S426 Y427 A893 | L399-D423 HydrophobicContact CD2-CB 4.19Å; H406-D423 IonicContact CD2-OD2 2.77Å; H406-D423 PolarHBondContact CD2-OD2 3.44Å; H406-D423 IonicContact CE1-OD1 3.35Å; H406-D423 IonicContact NE2-OD1 3.32Å; H406-D423 PolarHBondContact NE2-OD1 3.13Å; H406-D423 VanDerWaalsContact NE2-OD1 3.13Å; H406-D423 IonicContact NE2-OD2 3.44Å; H406-D423 PolarHBondContact NE2-OD2 3.05Å; I421-D423 PolarHBondContact O-N 3.32Å; D423-V425 PolarHBondContact O-N 3.24Å; D423-V425 WeakPolarHBondContact OD1-CA 3.22Å; D423-V425 VanDerWaalsContact OD1-CB 3.29Å; D423-V425 WeakPolarHBondContact OD1-CB 3.29Å; D423-V425 PolarHBondContact OD1-N 3.05Å; D423-S426 PolarHBondContact O-N 3.28Å; D423-S426 PolarHBondContact OD1-N 3.35Å; D423-Y427 VanDerWaalsContact O-CD2 3.3Å; D423-Y427 WeakPolarHBondContact O-CD2 2.81Å; D423-Y427 PolarHBondContact O-N 3.37Å; D423-A893 VanDerWaalsContact CA-CB 3.43Å; D423-A893 HydrophobicContact CB-CB 3.24Å |
| 424 | L | 85 | Confident | 84 | Confident | 20 Ų | 20 | 10.8 Ų | 10.8 | 11% | 0.105 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -69.6 | -22.5 | -174.5 | -63.4 | 165.7 | 0 | 0 | 0 | 113.2 | L399 S428 K429 C773 A893 V895 | L399-L424 HydrophobicContact CB-CB 4.16Å; L399-L424 HydrophobicContact CB-CD1 4.18Å; L399-L424 HydrophobicContact CD2-CB 3.64Å; L399-L424 HydrophobicContact CD2-CD1 4.3Å; L399-L424 HydrophobicContact CD2-CG 4.22Å; L424-S428 CarbonylContact O-C 3.54Å; L424-S428 WeakPolarHBondContact O-CA 3.43Å; L424-S428 WeakPolarHBondContact O-CB 3.35Å; L424-S428 PolarHBondContact O-N 3.42Å; L424-K429 PolarHBondContact O-N 3.17Å; L424-C773 HydrophobicContact CD2-CB 3.18Å; L424-C773 WeakPolarHBondContact CD2-SG 3.46Å; L424-C773 HydrophobicContact CG-CB 4.37Å; L424-A893 HydrophobicContact CG-CB 4.44Å; L424-V895 HydrophobicContact CB-CG2 4.17Å; L424-V895 HydrophobicContact CD2-CB 4.29Å; L424-V895 HydrophobicContact CD2-CG1 4.01Å; L424-V895 HydrophobicContact CD2-CG2 3.23Å; L424-V895 HydrophobicContact CG-CG2 3.5Å; L424-V895 VanDerWaalsContact N-CG2 3.35Å |
| 425 | V | 89.7 | Confident | 85 | Confident | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.051 | C | C | . | . | I | π-helix | trans | -71 | -56.4 | 174.6 | -178.8 | 0 | 0 | 0 | 0 | 108.7 | L399 H406 I408 D423 Y427 K429 S430 | L399-V425 HydrophobicContact CD2-CG2 4.11Å; L399-V425 HydrophobicContact CG-CG2 4.44Å; H406-V425 WeakPolarHBondContact O-CG1 3.18Å; I408-V425 HydrophobicContact CG1-CG1 4.09Å; D423-V425 PolarHBondContact O-N 3.24Å; D423-V425 WeakPolarHBondContact OD1-CA 3.22Å; D423-V425 VanDerWaalsContact OD1-CB 3.29Å; D423-V425 WeakPolarHBondContact OD1-CB 3.29Å; D423-V425 PolarHBondContact OD1-N 3.05Å; V425-Y427 VanDerWaalsContact C-N 3.25Å; V425-Y427 PolarHBondContact O-N 2.85Å; V425-K429 HydrophobicContact CG1-CB 4.42Å; V425-K429 HydrophobicContact CG1-CD 3.85Å; V425-K429 VanDerWaalsContact O-CB 3.3Å; V425-K429 WeakPolarHBondContact O-CB 3.07Å; V425-K429 PolarHBondContact O-N 3.43Å; V425-S430 PolarHBondContact O-N 3.36Å; V425-S430 PolarHBondContact O-OG 3.13Å |
| 426 | S | 89.7 | Confident | 86 | Confident | 1 Ų | 1 | 10 Ų | 10 | 1% | 0.007 | 5% | 0.05 | C | C | . | . | I | π-helix | trans | -62 | -31.1 | -174.5 | -61.1 | 0 | 0 | 0 | 0 | 113.9 | I421 D423 S430 | I421-S426 WeakPolarHBondContact O-CB 2.93Å; I421-S426 PolarHBondContact O-OG 3.11Å; D423-S426 PolarHBondContact O-N 3.28Å; D423-S426 PolarHBondContact OD1-N 3.35Å; S426-S430 VanDerWaalsContact C-OG 3.29Å; S426-S430 WeakPolarHBondContact O-CB 3.41Å; S426-S430 PolarHBondContact O-OG 2.84Å |
| 427 | Y | 89.5 | Confident | 87 | Confident | 10 Ų | 10 | 8.4 Ų | 8.4 | 4% | 0.039 | 4% | 0.04 | C | C | . | . | I | π-helix | trans | -98.4 | -62.7 | 179.2 | -74.8 | -105.1 | 0 | 0 | 0 | 112.9 | E364 R368 Y422 D423 V425 A431 V895 | E364-Y427 HydrophobicContact CB-CD1 3.84Å; E364-Y427 HydrophobicContact CB-CD2 4.17Å; E364-Y427 HydrophobicContact CB-CE1 3.7Å; E364-Y427 HydrophobicContact CB-CE2 4Å; E364-Y427 HydrophobicContact CB-CG 4.08Å; E364-Y427 VanDerWaalsContact CD-CZ 3.42Å; E364-Y427 HydrophobicContact CG-CE1 3.94Å; E364-Y427 HydrophobicContact CG-CE2 3.96Å; E364-Y427 WeakPolarHBondContact OE2-CE1 3.22Å; E364-Y427 PolarHBondContact OE2-OH 3.17Å; R368-Y427 VanDerWaalsContact NH2-CD1 3.31Å; Y422-Y427 AromaticContact CD1-CE2 3.76Å; Y422-Y427 HydrophobicContact CD1-CE2 3.76Å; Y422-Y427 AromaticContact CD1-CZ 3.98Å; Y422-Y427 VanDerWaalsContact CD1-OH 3.28Å; Y422-Y427 WeakPolarHBondContact CD1-OH 3.14Å; D423-Y427 VanDerWaalsContact O-CD2 3.3Å; D423-Y427 WeakPolarHBondContact O-CD2 2.81Å; D423-Y427 PolarHBondContact O-N 3.37Å; V425-Y427 VanDerWaalsContact C-N 3.25Å; V425-Y427 PolarHBondContact O-N 2.85Å; Y427-A431 VanDerWaalsContact O-CB 3.27Å; Y427-A431 WeakPolarHBondContact O-CB 3.39Å; Y427-A431 PolarHBondContact O-N 3.26Å; Y427-V895 HydrophobicContact CD1-CB 4.41Å; Y427-V895 HydrophobicContact CD1-CG1 4.04Å; Y427-V895 HydrophobicContact CD2-CB 3.77Å; Y427-V895 HydrophobicContact CD2-CG1 4.06Å; Y427-V895 WeakPolarHBondContact CD2-O 3.3Å; Y427-V895 HydrophobicContact CE2-CB 4.39Å; Y427-V895 WeakPolarHBondContact CE2-O 3.44Å; Y427-V895 HydrophobicContact CG-CB 3.79Å; Y427-V895 HydrophobicContact CG-CG1 3.54Å |
| 428 | S | 90.7 | Very high | 88 | Confident | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 4% | 0.036 | C | C | . | . | I | π-helix | trans | -86.1 | -36.2 | -163 | -62.3 | 0 | 0 | 0 | 0 | 112.4 | R368 H392 L424 S432 | R368-S428 PolarHBondContact NH1-OG 2.97Å; H392-S428 PolarHBondContact ND1-OG 3.46Å; L424-S428 CarbonylContact O-C 3.54Å; L424-S428 WeakPolarHBondContact O-CA 3.43Å; L424-S428 WeakPolarHBondContact O-CB 3.35Å; L424-S428 PolarHBondContact O-N 3.42Å; S428-S432 WeakPolarHBondContact O-CB 3.35Å; S428-S432 PolarHBondContact O-N 3.32Å; S428-S432 PolarHBondContact O-OG 2.9Å |
| 429 | K | 94.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.047 | C | C | . | . | I | π-helix | trans | -64.1 | -49.6 | 167.9 | -178.3 | -174 | 179.1 | 166.3 | 0 | 109.2 | A396 D400 I408 L424 V425 A431 S432 I433 R489 G491 Y595 | A396-K429 HydrophobicContact CB-CB 4.12Å; D400-K429 IonicContact OD1-NZ 3.47Å; D400-K429 WeakPolarHBondContact OD2-CD 2.78Å; D400-K429 VanDerWaalsContact OD2-CE 3.23Å; D400-K429 WeakPolarHBondContact OD2-CE 3.49Å; D400-K429 IonicContact OD2-NZ 2.82Å; D400-K429 PolarHBondContact OD2-NZ 3.44Å; I408-K429 HydrophobicContact CD1-CD 4.03Å; I408-K429 HydrophobicContact CD1-CG 3.97Å; I408-K429 HydrophobicContact CG1-CD 3.83Å; I408-K429 HydrophobicContact CG1-CG 4.21Å; L424-K429 PolarHBondContact O-N 3.17Å; V425-K429 HydrophobicContact CG1-CB 4.42Å; V425-K429 HydrophobicContact CG1-CD 3.85Å; V425-K429 VanDerWaalsContact O-CB 3.3Å; V425-K429 WeakPolarHBondContact O-CB 3.07Å; V425-K429 PolarHBondContact O-N 3.43Å; K429-A431 PolarHBondContact O-N 3.37Å; K429-S432 CarbonylContact O-C 3.45Å; K429-S432 WeakPolarHBondContact O-CA 3.21Å; K429-S432 WeakPolarHBondContact O-CB 3.31Å; K429-S432 PolarHBondContact O-N 3.38Å; K429-I433 HydrophobicContact CG-CG1 4.29Å; K429-I433 WeakPolarHBondContact O-CG1 3.36Å; K429-I433 PolarHBondContact O-N 3.02Å; K429-R489 PolarHBondContact NZ-O 3.3Å; K429-G491 PolarHBondContact NZ-O 2.86Å; K429-Y595 HydrophobicContact CB-CE1 4.49Å; K429-Y595 HydrophobicContact CD-CE1 4.09Å; K429-Y595 HydrophobicContact CG-CD1 4.31Å; K429-Y595 HydrophobicContact CG-CE1 3.62Å; K429-Y595 HydrophobicContact CG-CE2 4.38Å |
| 430 | S | 96.1 | Very high | 89.2 | Confident | 2 Ų | 2 | 9.9 Ų | 9.9 | 1% | 0.014 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -52.6 | -51.3 | 176.5 | -54.2 | 0 | 0 | 0 | 0 | 112.7 | F361 I408 V425 S426 S432 I433 I434 | F361-S430 WeakPolarHBondContact CB-OG 3.47Å; I408-S430 VanDerWaalsContact CG2-OG 3.32Å; I408-S430 WeakPolarHBondContact CG2-OG 3.42Å; V425-S430 PolarHBondContact O-N 3.36Å; V425-S430 PolarHBondContact O-OG 3.13Å; S426-S430 VanDerWaalsContact C-OG 3.29Å; S426-S430 WeakPolarHBondContact O-CB 3.41Å; S426-S430 PolarHBondContact O-OG 2.84Å; S430-S432 VanDerWaalsContact C-N 3.27Å; S430-S432 PolarHBondContact O-N 3.21Å; S430-I433 PolarHBondContact O-N 2.93Å; S430-I434 VanDerWaalsContact O-CG1 3.27Å; S430-I434 WeakPolarHBondContact O-CG1 3.45Å; S430-I434 PolarHBondContact O-N 3.28Å |
| 431 | A | 96.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -60.8 | -35.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R368 W369 F388 Y427 K429 I434 R435 | R368-A431 HydrophobicContact CB-CB 3.99Å; R368-A431 HydrophobicContact CG-CB 3.6Å; W369-A431 HydrophobicContact CB-CB 4.03Å; F388-A431 HydrophobicContact CE2-CB 3.95Å; F388-A431 HydrophobicContact CZ-CB 3.78Å; Y427-A431 VanDerWaalsContact O-CB 3.27Å; Y427-A431 WeakPolarHBondContact O-CB 3.39Å; Y427-A431 PolarHBondContact O-N 3.26Å; K429-A431 PolarHBondContact O-N 3.37Å; A431-I434 PolarHBondContact O-N 3.24Å; A431-R435 WeakPolarHBondContact O-CB 3.49Å; A431-R435 PolarHBondContact O-N 3Å |
| 432 | S | 95.6 | Very high | 90.7 | Very high | 4 Ų | 4 | 11.4 Ų | 11.4 | 3% | 0.028 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -69.6 | -39.1 | 176.7 | -57.3 | 0 | 0 | 0 | 0 | 111.9 | S428 K429 S430 R435 M436 Y595 | S428-S432 WeakPolarHBondContact O-CB 3.35Å; S428-S432 PolarHBondContact O-N 3.32Å; S428-S432 PolarHBondContact O-OG 2.9Å; K429-S432 CarbonylContact O-C 3.45Å; K429-S432 WeakPolarHBondContact O-CA 3.21Å; K429-S432 WeakPolarHBondContact O-CB 3.31Å; K429-S432 PolarHBondContact O-N 3.38Å; S430-S432 VanDerWaalsContact C-N 3.27Å; S430-S432 PolarHBondContact O-N 3.21Å; S432-R435 PolarHBondContact O-N 3.1Å; S432-M436 WeakPolarHBondContact O-CB 3.3Å; S432-M436 PolarHBondContact O-N 2.86Å; S432-Y595 VanDerWaalsContact CB-CD2 3.41Å |
| 433 | I | 94.8 | Very high | 91.6 | Very high | 4 Ų | 4 | 13.9 Ų | 13.9 | 2% | 0.021 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -66.6 | -38.9 | 173.3 | -61.7 | -55.2 | 0 | 0 | 0 | 110.9 | I408 K429 S430 M436 L437 W486 Y595 | I408-I433 HydrophobicContact CD1-CG1 4.05Å; K429-I433 HydrophobicContact CG-CG1 4.29Å; K429-I433 WeakPolarHBondContact O-CG1 3.36Å; K429-I433 PolarHBondContact O-N 3.02Å; S430-I433 PolarHBondContact O-N 2.93Å; I433-M436 HydrophobicContact CD1-CE 3.79Å; I433-M436 HydrophobicContact CG2-CE 4.35Å; I433-M436 WeakPolarHBondContact O-CB 3.29Å; I433-M436 PolarHBondContact O-N 2.86Å; I433-L437 VanDerWaalsContact O-CB 3.3Å; I433-L437 WeakPolarHBondContact O-CB 3.48Å; I433-L437 PolarHBondContact O-N 3.44Å; I433-W486 HydrophobicContact CD1-CB 3.98Å; I433-W486 HydrophobicContact CD1-CD2 3.86Å; I433-W486 HydrophobicContact CD1-CE3 3.63Å; I433-W486 HydrophobicContact CD1-CG 4.03Å; I433-W486 HydrophobicContact CD1-CZ3 4.34Å; I433-W486 HydrophobicContact CG1-CB 4.33Å; I433-W486 HydrophobicContact CG2-CB 4.14Å; I433-Y595 HydrophobicContact CD1-CD1 4.07Å; I433-Y595 HydrophobicContact CD1-CG 3.95Å |
| 434 | I | 96.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.2 | -45 | 173.6 | -68.3 | 162.1 | 0 | 0 | 0 | 110.6 | G365 F366 W369 S430 A431 M436 L437 R438 F446 | G365-I434 VanDerWaalsContact C-CD1 3.46Å; G365-I434 WeakPolarHBondContact O-CD1 3.37Å; F366-I434 HydrophobicContact CB-CD1 4.45Å; F366-I434 HydrophobicContact CD1-CD1 4.02Å; F366-I434 HydrophobicContact CD1-CG2 4.35Å; F366-I434 HydrophobicContact CD2-CD1 3.52Å; F366-I434 HydrophobicContact CD2-CG1 4.42Å; F366-I434 HydrophobicContact CE1-CD1 4.02Å; F366-I434 HydrophobicContact CE1-CG1 4.19Å; F366-I434 HydrophobicContact CE1-CG2 3.87Å; F366-I434 HydrophobicContact CE2-CD1 3.53Å; F366-I434 HydrophobicContact CE2-CG1 3.94Å; F366-I434 HydrophobicContact CG-CD1 3.77Å; F366-I434 HydrophobicContact CZ-CD1 3.77Å; F366-I434 HydrophobicContact CZ-CG1 3.8Å; F366-I434 HydrophobicContact CZ-CG2 4.24Å; W369-I434 HydrophobicContact CB-CB 4.4Å; W369-I434 HydrophobicContact CB-CG2 4.05Å; W369-I434 HydrophobicContact CD2-CG2 3.59Å; W369-I434 HydrophobicContact CE3-CG2 3.93Å; W369-I434 HydrophobicContact CG-CB 4.19Å; W369-I434 HydrophobicContact CG-CG2 3.56Å; S430-I434 VanDerWaalsContact O-CG1 3.27Å; S430-I434 WeakPolarHBondContact O-CG1 3.45Å; S430-I434 PolarHBondContact O-N 3.28Å; A431-I434 PolarHBondContact O-N 3.24Å; I434-M436 PolarHBondContact O-N 3.38Å; I434-L437 PolarHBondContact O-N 3.44Å; I434-R438 PolarHBondContact O-N 3.16Å; I434-F446 HydrophobicContact CG2-CE2 4.09Å; I434-F446 HydrophobicContact CG2-CZ 3.62Å |
| 435 | R | 94.4 | Very high | 93.1 | Very high | 19 Ų | 19 | 19 Ų | 19 | 7% | 0.072 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.2 | -43.8 | 174.7 | -177.9 | 174.4 | 171.6 | -85.2 | 0.1 | 111.9 | W385 A431 S432 A439 N591 C592 | W385-R435 HydrophobicContact CH2-CG 4.46Å; W385-R435 HydrophobicContact CZ2-CG 4.12Å; A431-R435 WeakPolarHBondContact O-CB 3.49Å; A431-R435 PolarHBondContact O-N 3Å; S432-R435 PolarHBondContact O-N 3.1Å; R435-A439 PolarHBondContact O-N 3.04Å; R435-A439 VanDerWaalsContact O-N 3.08Å; R435-N591 PolarHBondContact NH1-O 2.88Å; R435-N591 PolarHBondContact NH2-O 3.36Å; R435-C592 PolarHBondContact NH1-O 2.98Å |
| 436 | M | 92.1 | Very high | 93.5 | Very high | 7 Ų | 7 | 19 Ų | 19 | 3% | 0.034 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.6 | -44.3 | 174.5 | -176.2 | 178.2 | 70.3 | 0 | 0 | 111.7 | S432 I433 I434 A439 F440 W486 T593 | S432-M436 WeakPolarHBondContact O-CB 3.3Å; S432-M436 PolarHBondContact O-N 2.86Å; I433-M436 HydrophobicContact CD1-CE 3.79Å; I433-M436 HydrophobicContact CG2-CE 4.35Å; I433-M436 WeakPolarHBondContact O-CB 3.29Å; I433-M436 PolarHBondContact O-N 2.86Å; I434-M436 PolarHBondContact O-N 3.38Å; M436-A439 WeakPolarHBondContact O-CB 3.31Å; M436-A439 PolarHBondContact O-N 2.79Å; M436-F440 WeakPolarHBondContact O-CB 3.46Å; M436-F440 PolarHBondContact O-N 3.02Å; M436-W486 HydrophobicContact CE-CD2 3.87Å; M436-W486 HydrophobicContact CE-CG 3.98Å; M436-W486 HydrophobicContact CE-CZ2 4.05Å; M436-W486 HydrophobicContact SD-CZ2 4.21Å; M436-T593 VanDerWaalsContact CA-O 3.29Å; M436-T593 WeakPolarHBondContact CA-O 3.41Å; M436-T593 WeakPolarHBondContact CB-O 3.45Å; M436-T593 VanDerWaalsContact CG-O 3.23Å; M436-T593 WeakPolarHBondContact CG-O 3.42Å |
| 437 | L | 92.9 | Very high | 93.9 | Very high | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.016 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.1 | -46 | 179.4 | 177.3 | 61 | 0 | 0 | 0 | 111.5 | I433 I434 A439 F440 I441 F446 W468 L471 V479 L482 | I433-L437 VanDerWaalsContact O-CB 3.3Å; I433-L437 WeakPolarHBondContact O-CB 3.48Å; I433-L437 PolarHBondContact O-N 3.44Å; I434-L437 PolarHBondContact O-N 3.44Å; L437-A439 VanDerWaalsContact C-N 3.32Å; L437-A439 PolarHBondContact O-N 3.46Å; L437-F440 WeakPolarHBondContact O-CA 3.31Å; L437-F440 WeakPolarHBondContact O-CB 3.48Å; L437-F440 PolarHBondContact O-N 2.83Å; L437-F440 VanDerWaalsContact O-N 3.07Å; L437-I441 HydrophobicContact CD1-CD1 4.46Å; L437-I441 HydrophobicContact CD1-CG2 3.82Å; L437-I441 HydrophobicContact CG-CD1 4.39Å; L437-I441 WeakPolarHBondContact O-CG1 3.26Å; L437-I441 PolarHBondContact O-N 3.2Å; L437-F446 HydrophobicContact CD2-CE2 4.46Å; L437-W468 HydrophobicContact CD2-CE3 4.06Å; L437-W468 HydrophobicContact CD2-CH2 4.45Å; L437-W468 HydrophobicContact CD2-CZ3 3.51Å; L437-L471 HydrophobicContact CD2-CD1 3.66Å; L437-V479 HydrophobicContact CD1-CG1 3.88Å; L437-V479 HydrophobicContact CD1-CG2 4.29Å; L437-V479 HydrophobicContact CD2-CG1 4.14Å; L437-L482 HydrophobicContact CD1-CD2 4.18Å |
| 438 | R | 94.1 | Very high | 94.4 | Very high | 38 Ų | 38 | 23.8 Ų | 23.8 | 14% | 0.143 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -56 | -47.1 | 174.1 | 177.7 | -179.3 | 179.3 | -77.9 | 4.2 | 111.2 | I434 F440 G442 D443 F446 | I434-R438 PolarHBondContact O-N 3.16Å; R438-F440 VanDerWaalsContact C-N 3.32Å; R438-F440 PolarHBondContact O-N 2.9Å; R438-G442 CarbonylContact O-C 3.34Å; R438-G442 WeakPolarHBondContact O-CA 3.15Å; R438-G442 PolarHBondContact O-N 2.68Å; R438-D443 IonicContact CZ-OD1 2.6Å; R438-D443 IonicContact CZ-OD2 3.07Å; R438-D443 VanDerWaalsContact CZ-OD2 3.26Å; R438-D443 IonicContact NE-OD1 3.67Å; R438-D443 PolarHBondContact NE-OD1 2.89Å; R438-D443 IonicContact NH1-OD1 3.96Å; R438-D443 PolarHBondContact NH1-OD1 3.29Å; R438-D443 IonicContact NH1-OD2 3.51Å; R438-D443 PolarHBondContact NH1-OD2 2.95Å; R438-D443 IonicContact NH2-OD1 3.49Å; R438-D443 PolarHBondContact NH2-OD1 3.45Å; R438-D443 IonicContact NH2-OD2 2.72Å; R438-D443 PolarHBondContact NH2-OD2 3.41Å; R438-F446 HydrophobicContact CB-CB 4.42Å; R438-F446 HydrophobicContact CB-CD1 4.19Å; R438-F446 HydrophobicContact CB-CD2 3.77Å; R438-F446 HydrophobicContact CB-CE1 4.42Å; R438-F446 HydrophobicContact CB-CE2 4.04Å; R438-F446 HydrophobicContact CB-CG 3.86Å; R438-F446 HydrophobicContact CB-CZ 4.36Å; R438-F446 HydrophobicContact CG-CB 4.15Å; R438-F446 HydrophobicContact CG-CD1 4.02Å; R438-F446 HydrophobicContact CG-CD2 4.35Å; R438-F446 HydrophobicContact CG-CG 3.92Å |
| 439 | A | 88.9 | Confident | 94.7 | Very high | 28 Ų | 28 | 23.8 Ų | 23.8 | 23% | 0.231 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58 | -47.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | R435 M436 L437 R530 T593 | R435-A439 PolarHBondContact O-N 3.04Å; R435-A439 VanDerWaalsContact O-N 3.08Å; M436-A439 WeakPolarHBondContact O-CB 3.31Å; M436-A439 PolarHBondContact O-N 2.79Å; L437-A439 VanDerWaalsContact C-N 3.32Å; L437-A439 PolarHBondContact O-N 3.46Å; A439-R530 PolarHBondContact O-NH1 2.67Å; A439-T593 HydrophobicContact CB-CG2 4.03Å |
| 440 | F | 87 | Confident | 94.9 | Very high | 33 Ų | 33 | 23.9 Ų | 23.9 | 15% | 0.145 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60 | -46.5 | -179.4 | -176 | -103.7 | 0 | 0 | 0 | 114.7 | M436 L437 R438 K477 L482 R530 | M436-F440 WeakPolarHBondContact O-CB 3.46Å; M436-F440 PolarHBondContact O-N 3.02Å; L437-F440 WeakPolarHBondContact O-CA 3.31Å; L437-F440 WeakPolarHBondContact O-CB 3.48Å; L437-F440 PolarHBondContact O-N 2.83Å; L437-F440 VanDerWaalsContact O-N 3.07Å; R438-F440 VanDerWaalsContact C-N 3.32Å; R438-F440 PolarHBondContact O-N 2.9Å; F440-K477 HydrophobicContact CD1-CD 4.1Å; F440-K477 HydrophobicContact CE1-CB 4.29Å; F440-K477 HydrophobicContact CE1-CD 3.54Å; F440-K477 HydrophobicContact CZ-CD 4.02Å; F440-K477 PolarHBondContact O-NZ 3.39Å; F440-L482 HydrophobicContact CD1-CD2 3.46Å; F440-L482 VanDerWaalsContact CD1-CD2 3.46Å; F440-L482 HydrophobicContact CE1-CD2 3.67Å; F440-L482 HydrophobicContact CG-CD2 3.95Å; F440-L482 HydrophobicContact CZ-CD2 4.31Å; F440-R530 HydrophobicContact CD2-CB 4.09Å; F440-R530 HydrophobicContact CD2-CG 4.33Å |
| 441 | I | 92.1 | Very high | 95 | Very high | 14 Ų | 14 | 27.8 Ų | 27.8 | 7% | 0.072 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -93.4 | -15.8 | -175.8 | 72.3 | -178.5 | 0 | 0 | 0 | 113.9 | L437 F446 L471 K477 V479 | L437-I441 HydrophobicContact CD1-CD1 4.46Å; L437-I441 HydrophobicContact CD1-CG2 3.82Å; L437-I441 HydrophobicContact CG-CD1 4.39Å; L437-I441 WeakPolarHBondContact O-CG1 3.26Å; L437-I441 PolarHBondContact O-N 3.2Å; I441-F446 HydrophobicContact CD1-CB 3.89Å; I441-F446 HydrophobicContact CD1-CD2 3.86Å; I441-F446 HydrophobicContact CD1-CG 4.37Å; I441-F446 HydrophobicContact CG1-CB 3.89Å; I441-F446 HydrophobicContact CG1-CD2 4.29Å; I441-L471 HydrophobicContact CD1-CB 4.17Å; I441-L471 HydrophobicContact CD1-CD2 3.95Å; I441-K477 HydrophobicContact CG2-CD 4.34Å; I441-V479 HydrophobicContact CG2-CG2 3.84Å |
| 442 | G | 90.6 | Very high | 95.1 | Very high | 28 Ų | 28 | 30.8 Ų | 30.8 | 29% | 0.289 | 16% | 0.158 | S | C | . | . | trans | 89.2 | 150.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R438 E444 A445 F446 | R438-G442 CarbonylContact O-C 3.34Å; R438-G442 WeakPolarHBondContact O-CA 3.15Å; R438-G442 PolarHBondContact O-N 2.68Å; G442-E444 PolarHBondContact O-N 2.71Å; G442-A445 PolarHBondContact O-N 2.93Å; G442-F446 WeakPolarHBondContact O-CB 3.39Å; G442-F446 PolarHBondContact O-N 3.31Å | ||
| 443 | D | 95.1 | Very high | 95.2 | Very high | 78 Ų | 78 | 30.8 Ų | 30.8 | 42% | 0.417 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -60.9 | -43.2 | -168.7 | -68.9 | 2.4 | 0 | 0 | 0 | 113.7 | R438 K447 | R438-D443 IonicContact CZ-OD1 2.6Å; R438-D443 IonicContact CZ-OD2 3.07Å; R438-D443 VanDerWaalsContact CZ-OD2 3.26Å; R438-D443 IonicContact NE-OD1 3.67Å; R438-D443 PolarHBondContact NE-OD1 2.89Å; R438-D443 IonicContact NH1-OD1 3.96Å; R438-D443 PolarHBondContact NH1-OD1 3.29Å; R438-D443 IonicContact NH1-OD2 3.51Å; R438-D443 PolarHBondContact NH1-OD2 2.95Å; R438-D443 IonicContact NH2-OD1 3.49Å; R438-D443 PolarHBondContact NH2-OD1 3.45Å; R438-D443 IonicContact NH2-OD2 2.72Å; R438-D443 PolarHBondContact NH2-OD2 3.41Å; D443-K447 VanDerWaalsContact O-CB 3.28Å; D443-K447 WeakPolarHBondContact O-CB 3.45Å; D443-K447 PolarHBondContact O-N 3.16Å |
| 444 | E | 97.8 | Very high | 95.4 | Very high | 114 Ų | 114 | 30.6 Ų | 30.6 | 53% | 0.533 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -66.8 | -45.7 | 179.5 | -75.3 | -61 | 149.6 | 0 | 0 | 112.2 | G442 F446 K447 N448 | G442-E444 PolarHBondContact O-N 2.71Å; E444-F446 VanDerWaalsContact C-N 3.33Å; E444-F446 PolarHBondContact O-N 3.33Å; E444-K447 PolarHBondContact O-N 3.34Å; E444-K447 IonicContact OE1-NZ 3.13Å; E444-K447 PolarHBondContact OE1-NZ 2.67Å; E444-K447 WeakPolarHBondContact OE2-CE 3.43Å; E444-K447 IonicContact OE2-NZ 3.71Å; E444-K447 PolarHBondContact OE2-NZ 3.27Å; E444-N448 WeakPolarHBondContact O-CB 3.39Å; E444-N448 VanDerWaalsContact O-CG 3.24Å; E444-N448 PolarHBondContact O-N 3.26Å; E444-N448 PolarHBondContact O-ND2 3.2Å |
| 445 | A | 98 | Very high | 95.5 | Very high | 16 Ų | 16 | 38.4 Ų | 38.4 | 13% | 0.132 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66 | -38.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | G442 G449 S474 | G442-A445 PolarHBondContact O-N 2.93Å; A445-G449 PolarHBondContact O-N 3.13Å; A445-S474 WeakPolarHBondContact O-CB 3.5Å; A445-S474 PolarHBondContact O-OG 3.27Å |
| 446 | F | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.5 | -50.3 | 175.4 | -174.4 | -91 | 0 | 0 | 0 | 111.6 | F366 W369 I434 L437 R438 I441 G442 E444 N448 G449 L450 L471 | F366-F446 HydrophobicContact CE1-CZ 4.01Å; W369-F446 HydrophobicContact CE3-CE1 4.25Å; W369-F446 HydrophobicContact CE3-CZ 4.37Å; W369-F446 HydrophobicContact CH2-CD1 4.27Å; W369-F446 AromaticContact CH2-CE1 3.55Å; W369-F446 HydrophobicContact CH2-CE1 3.55Å; W369-F446 HydrophobicContact CH2-CZ 4.3Å; W369-F446 HydrophobicContact CZ2-CE1 4.29Å; W369-F446 AromaticContact CZ3-CE1 3.47Å; W369-F446 HydrophobicContact CZ3-CE1 3.47Å; W369-F446 VanDerWaalsContact CZ3-CE1 3.47Å; W369-F446 HydrophobicContact CZ3-CZ 4.03Å; I434-F446 HydrophobicContact CG2-CE2 4.09Å; I434-F446 HydrophobicContact CG2-CZ 3.62Å; L437-F446 HydrophobicContact CD2-CE2 4.46Å; R438-F446 HydrophobicContact CB-CB 4.42Å; R438-F446 HydrophobicContact CB-CD1 4.19Å; R438-F446 HydrophobicContact CB-CD2 3.77Å; R438-F446 HydrophobicContact CB-CE1 4.42Å; R438-F446 HydrophobicContact CB-CE2 4.04Å; R438-F446 HydrophobicContact CB-CG 3.86Å; R438-F446 HydrophobicContact CB-CZ 4.36Å; R438-F446 HydrophobicContact CG-CB 4.15Å; R438-F446 HydrophobicContact CG-CD1 4.02Å; R438-F446 HydrophobicContact CG-CD2 4.35Å; R438-F446 HydrophobicContact CG-CG 3.92Å; I441-F446 HydrophobicContact CD1-CB 3.89Å; I441-F446 HydrophobicContact CD1-CD2 3.86Å; I441-F446 HydrophobicContact CD1-CG 4.37Å; I441-F446 HydrophobicContact CG1-CB 3.89Å; I441-F446 HydrophobicContact CG1-CD2 4.29Å; G442-F446 WeakPolarHBondContact O-CB 3.39Å; G442-F446 PolarHBondContact O-N 3.31Å; E444-F446 VanDerWaalsContact C-N 3.33Å; E444-F446 PolarHBondContact O-N 3.33Å; F446-N448 PolarHBondContact O-N 3.03Å; F446-G449 PolarHBondContact O-N 2.85Å; F446-L450 HydrophobicContact CD1-CD1 3.93Å; F446-L450 HydrophobicContact CD1-CG 4.36Å; F446-L450 HydrophobicContact CE1-CD1 3.31Å; F446-L450 HydrophobicContact CE1-CG 4.03Å; F446-L450 HydrophobicContact CZ-CD1 3.82Å; F446-L450 HydrophobicContact CZ-CG 4.29Å; F446-L450 WeakPolarHBondContact O-CG 3.44Å; F446-L450 PolarHBondContact O-N 3Å; F446-L471 HydrophobicContact CD2-CD2 4.08Å; F446-L471 HydrophobicContact CE2-CD2 4.48Å |
| 447 | K | 98 | Very high | 95.9 | Very high | 42 Ų | 42 | 43.5 Ų | 43.5 | 18% | 0.183 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.3 | -51.1 | 176.5 | -178.8 | -179 | 65.4 | -167.9 | 0 | 111.2 | Y296 D443 E444 G449 L450 R451 | Y296-K447 HydrophobicContact CD2-CD 4.4Å; Y296-K447 HydrophobicContact CE2-CD 4.16Å; Y296-K447 HydrophobicContact CE2-CG 4.2Å; D443-K447 VanDerWaalsContact O-CB 3.28Å; D443-K447 WeakPolarHBondContact O-CB 3.45Å; D443-K447 PolarHBondContact O-N 3.16Å; E444-K447 PolarHBondContact O-N 3.34Å; E444-K447 IonicContact OE1-NZ 3.13Å; E444-K447 PolarHBondContact OE1-NZ 2.67Å; E444-K447 WeakPolarHBondContact OE2-CE 3.43Å; E444-K447 IonicContact OE2-NZ 3.71Å; E444-K447 PolarHBondContact OE2-NZ 3.27Å; K447-G449 PolarHBondContact O-N 3.35Å; K447-L450 PolarHBondContact O-N 2.88Å; K447-R451 WeakPolarHBondContact O-CG 3.19Å; K447-R451 PolarHBondContact O-N 3.28Å |
| 448 | N | 98.4 | Very high | 96 | Very high | 69 Ų | 69 | 45.2 Ų | 45.2 | 37% | 0.369 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.7 | -40.3 | -178 | -70.2 | -25.8 | 0 | 0 | 0 | 112.6 | E444 F446 L450 R451 E452 S474 | E444-N448 WeakPolarHBondContact O-CB 3.39Å; E444-N448 VanDerWaalsContact O-CG 3.24Å; E444-N448 PolarHBondContact O-N 3.26Å; E444-N448 PolarHBondContact O-ND2 3.2Å; F446-N448 PolarHBondContact O-N 3.03Å; N448-L450 PolarHBondContact O-N 3.14Å; N448-R451 PolarHBondContact O-N 2.85Å; N448-E452 PolarHBondContact O-N 3.37Å; N448-S474 WeakPolarHBondContact CB-OG 3.46Å |
| 449 | G | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.1 | -36.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | A445 F446 K447 E452 Y453 S474 | A445-G449 PolarHBondContact O-N 3.13Å; F446-G449 PolarHBondContact O-N 2.85Å; K447-G449 PolarHBondContact O-N 3.35Å; G449-E452 PolarHBondContact O-N 2.81Å; G449-Y453 WeakPolarHBondContact O-CB 3.32Å; G449-Y453 PolarHBondContact O-N 3.44Å; G449-S474 PolarHBondContact N-OG 2.89Å |
| 450 | L | 98.2 | Very high | 96.5 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.1 | -43 | 171.5 | -72.5 | -174.4 | 0 | 0 | 0 | 112.4 | Y296 F297 F348 F366 F446 K447 N448 E452 Y453 L454 L467 L471 | Y296-L450 HydrophobicContact CE1-CD1 4.49Å; F297-L450 HydrophobicContact CE1-CD1 4.47Å; F348-L450 HydrophobicContact CE1-CD2 4.39Å; F348-L450 HydrophobicContact CZ-CD1 4.38Å; F348-L450 HydrophobicContact CZ-CD2 4.36Å; F366-L450 HydrophobicContact CD1-CD2 4.36Å; F366-L450 HydrophobicContact CE1-CD1 4.31Å; F366-L450 HydrophobicContact CE1-CD2 3.65Å; F366-L450 HydrophobicContact CZ-CD2 4.2Å; F446-L450 HydrophobicContact CD1-CD1 3.93Å; F446-L450 HydrophobicContact CD1-CG 4.36Å; F446-L450 HydrophobicContact CE1-CD1 3.31Å; F446-L450 HydrophobicContact CE1-CG 4.03Å; F446-L450 HydrophobicContact CZ-CD1 3.82Å; F446-L450 HydrophobicContact CZ-CG 4.29Å; F446-L450 WeakPolarHBondContact O-CG 3.44Å; F446-L450 PolarHBondContact O-N 3Å; K447-L450 PolarHBondContact O-N 2.88Å; N448-L450 PolarHBondContact O-N 3.14Å; L450-E452 VanDerWaalsContact C-N 3.31Å; L450-E452 PolarHBondContact O-N 3.3Å; L450-Y453 PolarHBondContact O-N 3.03Å; L450-L454 WeakPolarHBondContact O-CB 3.15Å; L450-L454 VanDerWaalsContact O-CG 3.31Å; L450-L454 WeakPolarHBondContact O-CG 3.39Å; L450-L454 PolarHBondContact O-N 3.4Å; L450-L467 HydrophobicContact CD2-CD1 3.82Å; L450-L471 HydrophobicContact CD2-CD2 4.47Å; L450-L471 HydrophobicContact CG-CD2 4.46Å |
| 451 | R | 98.2 | Very high | 97 | Very high | 84 Ų | 84 | 49.9 Ų | 49.9 | 32% | 0.317 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.2 | -42.9 | 175.9 | -67.2 | -174 | 170.4 | 177.6 | -8.8 | 111.6 | E295 Y296 F297 K447 N448 K455 | E295-R451 PolarHBondContact O-NH2 2.92Å; Y296-R451 PolarHBondContact O-NE 2.95Å; Y296-R451 PolarHBondContact O-NH2 3.48Å; F297-R451 WeakPolarHBondContact O-CG 3.26Å; K447-R451 WeakPolarHBondContact O-CG 3.19Å; K447-R451 PolarHBondContact O-N 3.28Å; N448-R451 PolarHBondContact O-N 2.85Å; R451-K455 WeakPolarHBondContact O-CB 3.18Å; R451-K455 PolarHBondContact O-N 3.4Å |
| 452 | E | 98.4 | Very high | 97.2 | Very high | 64 Ų | 64 | 49.2 Ų | 49.2 | 30% | 0.299 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.7 | -49.1 | 175.1 | -170.8 | -167.1 | 135.1 | 0 | 0 | 111.4 | N448 G449 L450 K455 K456 C470 R473 | N448-E452 PolarHBondContact O-N 3.37Å; G449-E452 PolarHBondContact O-N 2.81Å; L450-E452 VanDerWaalsContact C-N 3.31Å; L450-E452 PolarHBondContact O-N 3.3Å; E452-K455 PolarHBondContact O-N 3.38Å; E452-K456 WeakPolarHBondContact O-CB 3.3Å; E452-K456 PolarHBondContact O-N 2.65Å; E452-C470 HydrophobicContact CB-CB 4.45Å; E452-C470 PolarHBondContact OE1-SG 2.66Å; E452-C470 VanDerWaalsContact OE1-SG 3.35Å; E452-R473 IonicContact OE1-CZ 2.8Å; E452-R473 IonicContact OE1-NE 3.51Å; E452-R473 PolarHBondContact OE1-NE 3.49Å; E452-R473 IonicContact OE1-NH2 3.39Å; E452-R473 PolarHBondContact OE1-NH2 2.91Å; E452-R473 IonicContact OE2-NE 2.86Å |
| 453 | Y | 98.6 | Very high | 97.6 | Very high | 3 Ų | 3 | 52.6 Ų | 52.6 | 1% | 0.012 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.7 | -55 | 178.4 | 168.7 | -104.1 | 0 | 0 | 0 | 111.6 | F348 V352 G449 L450 K455 K456 Y457 A462 L467 | F348-Y453 HydrophobicContact CE1-CE1 4.48Å; V352-Y453 HydrophobicContact CB-CE1 4.22Å; V352-Y453 HydrophobicContact CG1-CE1 4.01Å; V352-Y453 HydrophobicContact CG1-CE2 4.25Å; V352-Y453 VanDerWaalsContact CG1-OH 3.24Å; V352-Y453 WeakPolarHBondContact CG1-OH 3.34Å; V352-Y453 HydrophobicContact CG2-CE1 4.33Å; G449-Y453 WeakPolarHBondContact O-CB 3.32Å; G449-Y453 PolarHBondContact O-N 3.44Å; L450-Y453 PolarHBondContact O-N 3.03Å; Y453-K455 VanDerWaalsContact C-N 3.31Å; Y453-K455 PolarHBondContact O-N 3.49Å; Y453-K456 PolarHBondContact O-N 3.3Å; Y453-Y457 AromaticContact CD2-CD2 3.5Å; Y453-Y457 HydrophobicContact CD2-CD2 3.5Å; Y453-Y457 AromaticContact CD2-CE2 3.85Å; Y453-Y457 HydrophobicContact CD2-CE2 3.85Å; Y453-Y457 AromaticContact CE2-CD2 3.77Å; Y453-Y457 HydrophobicContact CE2-CD2 3.77Å; Y453-Y457 HydrophobicContact CE2-CE2 4.26Å; Y453-Y457 HydrophobicContact CE2-CG 4.47Å; Y453-Y457 HydrophobicContact CG-CD2 4.34Å; Y453-Y457 VanDerWaalsContact O-CD2 3.3Å; Y453-Y457 WeakPolarHBondContact O-CD2 3.48Å; Y453-Y457 PolarHBondContact O-N 3.13Å; Y453-A462 HydrophobicContact CE2-CB 3.83Å; Y453-L467 HydrophobicContact CD1-CD1 3.93Å; Y453-L467 HydrophobicContact CD2-CB 3.9Å; Y453-L467 HydrophobicContact CD2-CD1 4.04Å; Y453-L467 HydrophobicContact CE1-CD1 4.36Å; Y453-L467 HydrophobicContact CE2-CB 3.81Å; Y453-L467 HydrophobicContact CE2-CD1 4.46Å; Y453-L467 HydrophobicContact CG-CB 4.48Å; Y453-L467 HydrophobicContact CG-CD1 3.75Å |
| 454 | L | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61 | -41.4 | -177.9 | -67.5 | 170.8 | 0 | 0 | 0 | 111.7 | F297 I299 W347 F348 V352 L450 S458 | F297-L454 HydrophobicContact CB-CD1 3.95Å; F297-L454 HydrophobicContact CD1-CD1 3.5Å; F297-L454 HydrophobicContact CE1-CD1 4.2Å; F297-L454 HydrophobicContact CG-CD1 3.8Å; I299-L454 HydrophobicContact CD1-CB 3.47Å; I299-L454 VanDerWaalsContact CD1-CB 3.47Å; W347-L454 HydrophobicContact CB-CD1 4.01Å; W347-L454 HydrophobicContact CB-CD2 3.91Å; W347-L454 HydrophobicContact CG-CD1 4.26Å; W347-L454 VanDerWaalsContact O-CD2 3.31Å; W347-L454 WeakPolarHBondContact O-CD2 3.21Å; F348-L454 HydrophobicContact CD1-CD2 4.39Å; F348-L454 HydrophobicContact CE1-CD2 4.15Å; F348-L454 HydrophobicContact CZ-CD1 4.42Å; F348-L454 HydrophobicContact CZ-CD2 4.49Å; V352-L454 HydrophobicContact CG2-CD2 3.87Å; L450-L454 WeakPolarHBondContact O-CB 3.15Å; L450-L454 VanDerWaalsContact O-CG 3.31Å; L450-L454 WeakPolarHBondContact O-CG 3.39Å; L450-L454 PolarHBondContact O-N 3.4Å; L454-S458 PolarHBondContact O-N 3.06Å; L454-S458 VanDerWaalsContact O-N 3.11Å; L454-S458 PolarHBondContact O-OG 2.88Å |
| 455 | K | 97.6 | Very high | 97.6 | Very high | 165 Ų | 165 | 47 Ų | 47 | 72% | 0.717 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -66.8 | -43.3 | 177.1 | -176.1 | 177.7 | 179.8 | 179.9 | 0 | 112.2 | R451 E452 Y453 | R451-K455 WeakPolarHBondContact O-CB 3.18Å; R451-K455 PolarHBondContact O-N 3.4Å; E452-K455 PolarHBondContact O-N 3.38Å; Y453-K455 VanDerWaalsContact C-N 3.31Å; Y453-K455 PolarHBondContact O-N 3.49Å |
| 456 | K | 98 | Very high | 97.6 | Very high | 111 Ų | 111 | 47.8 Ų | 47.8 | 48% | 0.483 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -68.8 | -38.4 | -175.8 | -176 | 177.8 | 178.5 | -169.5 | 0 | 112.5 | E452 Y453 | E452-K456 WeakPolarHBondContact O-CB 3.3Å; E452-K456 PolarHBondContact O-N 2.65Å; Y453-K456 PolarHBondContact O-N 3.3Å |
| 457 | Y | 97.7 | Very high | 97.6 | Very high | 22 Ų | 22 | 47.8 Ų | 47.8 | 9% | 0.086 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 13.9 | -176.2 | -59.3 | -78.7 | 0 | 0 | 0 | 113.5 | Y453 Y459 N460 A462 N466 | Y453-Y457 AromaticContact CD2-CD2 3.5Å; Y453-Y457 HydrophobicContact CD2-CD2 3.5Å; Y453-Y457 AromaticContact CD2-CE2 3.85Å; Y453-Y457 HydrophobicContact CD2-CE2 3.85Å; Y453-Y457 AromaticContact CE2-CD2 3.77Å; Y453-Y457 HydrophobicContact CE2-CD2 3.77Å; Y453-Y457 HydrophobicContact CE2-CE2 4.26Å; Y453-Y457 HydrophobicContact CE2-CG 4.47Å; Y453-Y457 HydrophobicContact CG-CD2 4.34Å; Y453-Y457 VanDerWaalsContact O-CD2 3.3Å; Y453-Y457 WeakPolarHBondContact O-CD2 3.48Å; Y453-Y457 PolarHBondContact O-N 3.13Å; Y457-Y459 PolarHBondContact O-N 3.16Å; Y457-N460 WeakPolarHBondContact O-CA 3.32Å; Y457-N460 WeakPolarHBondContact O-CB 3.47Å; Y457-N460 PolarHBondContact O-N 2.91Å; Y457-A462 HydrophobicContact CD1-CB 4.22Å; Y457-A462 HydrophobicContact CG-CB 4.11Å; Y457-N466 HydrophobicContact CD2-CB 4.48Å; Y457-N466 HydrophobicContact CE1-CB 4.03Å; Y457-N466 HydrophobicContact CE2-CB 3.7Å; Y457-N466 VanDerWaalsContact CZ-CB 3.46Å; Y457-N466 WeakPolarHBondContact OH-CB 3.39Å; Y457-N466 PolarHBondContact OH-ND2 3Å |
| 458 | S | 95.7 | Very high | 97.6 | Very high | 39 Ų | 39 | 46 Ų | 46 | 27% | 0.273 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 132.4 | 176.5 | -78 | 0 | 0 | 0 | 0 | 112 | L351 L454 N460 | L351-S458 CarbonylContact O-C 3.59Å; L454-S458 PolarHBondContact O-N 3.06Å; L454-S458 VanDerWaalsContact O-N 3.11Å; L454-S458 PolarHBondContact O-OG 2.88Å; S458-N460 PolarHBondContact O-N 3.32Å |
| 459 | Y | 95 | Very high | 97.6 | Very high | 90 Ų | 90 | 46 Ų | 46 | 35% | 0.353 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 13.2 | -175 | -53.5 | -78.9 | 0 | 0 | 0 | 115.3 | K200 P240 N302 W310 L351 Y457 | K200-Y459 WeakPolarHBondContact CE-O 3.34Å; P240-Y459 HydrophobicContact CB-CD1 4.07Å; P240-Y459 HydrophobicContact CB-CE1 3.6Å; P240-Y459 HydrophobicContact CG-CE1 4.35Å; N302-Y459 PolarHBondContact ND2-OH 3.21Å; W310-Y459 AromaticContact CH2-CD1 3.46Å; W310-Y459 HydrophobicContact CH2-CD1 3.46Å; W310-Y459 VanDerWaalsContact CH2-CD1 3.46Å; W310-Y459 AromaticContact CH2-CE1 3.34Å; W310-Y459 HydrophobicContact CH2-CE1 3.34Å; W310-Y459 HydrophobicContact CZ2-CD1 4.26Å; W310-Y459 AromaticContact CZ2-CE1 3.71Å; W310-Y459 HydrophobicContact CZ2-CE1 3.71Å; W310-Y459 HydrophobicContact CZ3-CD1 4.31Å; W310-Y459 HydrophobicContact CZ3-CE1 4.41Å; L351-Y459 HydrophobicContact CD1-CD1 4.34Å; L351-Y459 HydrophobicContact CD1-CD2 4.18Å; L351-Y459 HydrophobicContact CD1-CE1 4.13Å; L351-Y459 HydrophobicContact CD1-CE2 4Å; L351-Y459 HydrophobicContact CD1-CG 4.35Å; L351-Y459 WeakPolarHBondContact O-CA 3.25Å; L351-Y459 PolarHBondContact O-N 3.24Å; Y457-Y459 PolarHBondContact O-N 3.16Å |
| 460 | N | 96.6 | Very high | 97.6 | Very high | 92 Ų | 92 | 46 Ų | 46 | 49% | 0.492 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | -179.5 | -176.8 | -151.1 | -12.7 | 0 | 0 | 0 | 110.8 | K200 T353 Y457 S458 | K200-N460 PolarHBondContact NZ-O 3.05Å; T353-N460 PolarHBondContact N-O 2.63Å; T353-N460 VanDerWaalsContact N-O 3.13Å; Y457-N460 WeakPolarHBondContact O-CA 3.32Å; Y457-N460 WeakPolarHBondContact O-CB 3.47Å; Y457-N460 PolarHBondContact O-N 2.91Å; S458-N460 PolarHBondContact O-N 3.32Å |
| 461 | N | 97.8 | Very high | 97.6 | Very high | 15 Ų | 15 | 46 Ų | 46 | 8% | 0.08 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 154.8 | 171.6 | -63.5 | 89 | 0 | 0 | 0 | 111.1 | P197 A198 K200 T353 M354 E355 | P197-N461 PolarHBondContact O-ND2 3.12Å; A198-N461 PolarHBondContact O-OD1 3Å; K200-N461 VanDerWaalsContact CD-OD1 3.32Å; K200-N461 WeakPolarHBondContact CD-OD1 3.44Å; T353-N461 CarbonylContact O-C 3.55Å; T353-N461 WeakPolarHBondContact O-CA 3.48Å; M354-N461 PolarHBondContact O-ND2 3.38Å; E355-N461 HydrophobicContact CB-CB 4.4Å; E355-N461 WeakPolarHBondContact OE2-CB 3.18Å |
| 462 | A | 97.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 152.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V352 T353 M354 E355 Y453 Y457 N466 | V352-A462 HydrophobicContact CG1-CB 3.62Å; T353-A462 PolarHBondContact O-N 3.42Å; M354-A462 CarbonylContact C-O 3.54Å; M354-A462 VanDerWaalsContact CA-O 3.31Å; M354-A462 WeakPolarHBondContact CA-O 3.32Å; E355-A462 PolarHBondContact N-O 3.1Å; Y453-A462 HydrophobicContact CE2-CB 3.83Å; Y457-A462 HydrophobicContact CD1-CB 4.22Å; Y457-A462 HydrophobicContact CG-CB 4.11Å; A462-N466 HydrophobicContact CB-CB 4.32Å |
| 463 | E | 97.3 | Very high | 97.6 | Very high | 99 Ų | 99 | 45.6 Ų | 45.6 | 46% | 0.463 | 21% | 0.212 | S | C | . | . | trans | -106.5 | 164.6 | 171.5 | -60.5 | 179.1 | 154.6 | 0 | 0 | 110.4 | E355 Q465 N466 | E355-E463 HydrophobicContact CB-CG 3.95Å; E463-Q465 PolarHBondContact O-N 2.71Å; E463-Q465 VanDerWaalsContact O-N 3.14Å; E463-N466 PolarHBondContact N-OD1 3.37Å; E463-N466 VanDerWaalsContact O-CB 3.29Å; E463-N466 WeakPolarHBondContact O-CB 3.37Å; E463-N466 PolarHBondContact O-N 3.46Å | ||
| 464 | A | 97 | Very high | 97.5 | Very high | 4 Ų | 4 | 47.3 Ų | 47.3 | 3% | 0.033 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -50.3 | -42.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | D359 F361 N466 L467 W468 | D359-A464 VanDerWaalsContact OD1-CB 3.28Å; D359-A464 WeakPolarHBondContact OD1-CB 3.48Å; D359-A464 PolarHBondContact OD1-N 3.46Å; F361-A464 HydrophobicContact CE1-CB 3.8Å; F361-A464 HydrophobicContact CZ-CB 3.63Å; A464-N466 PolarHBondContact O-N 2.86Å; A464-L467 WeakPolarHBondContact O-CB 3.23Å; A464-L467 PolarHBondContact O-N 2.85Å; A464-L467 VanDerWaalsContact O-N 3.17Å; A464-W468 VanDerWaalsContact O-CG 3.29Å; A464-W468 PolarHBondContact O-N 3.41Å; A464-W468 VanDerWaalsContact O-N 3.11Å; A464-W468 PolarHBondContact O-NE1 3.44Å |
| 465 | Q | 96.9 | Very high | 97.5 | Very high | 69 Ų | 69 | 48.6 Ų | 48.6 | 32% | 0.322 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60 | -35.5 | -178.5 | -175.2 | 59.3 | 25 | 0 | 0 | 112.5 | E463 L467 W468 E469 | E463-Q465 PolarHBondContact O-N 2.71Å; E463-Q465 VanDerWaalsContact O-N 3.14Å; Q465-L467 VanDerWaalsContact C-N 3.31Å; Q465-L467 PolarHBondContact O-N 3.08Å; Q465-W468 PolarHBondContact O-N 3.4Å; Q465-E469 WeakPolarHBondContact O-CG 3.23Å; Q465-E469 PolarHBondContact O-N 2.66Å |
| 466 | N | 98.1 | Very high | 97.4 | Very high | 34 Ų | 34 | 44.2 Ų | 44.2 | 18% | 0.182 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.2 | -38.7 | 179.3 | -63.2 | 143.1 | 0 | 0 | 0 | 112.4 | Y457 A462 E463 A464 C470 | Y457-N466 HydrophobicContact CD2-CB 4.48Å; Y457-N466 HydrophobicContact CE1-CB 4.03Å; Y457-N466 HydrophobicContact CE2-CB 3.7Å; Y457-N466 VanDerWaalsContact CZ-CB 3.46Å; Y457-N466 WeakPolarHBondContact OH-CB 3.39Å; Y457-N466 PolarHBondContact OH-ND2 3Å; A462-N466 HydrophobicContact CB-CB 4.32Å; E463-N466 PolarHBondContact N-OD1 3.37Å; E463-N466 VanDerWaalsContact O-CB 3.29Å; E463-N466 WeakPolarHBondContact O-CB 3.37Å; E463-N466 PolarHBondContact O-N 3.46Å; A464-N466 PolarHBondContact O-N 2.86Å; N466-C470 PolarHBondContact O-N 3.31Å |
| 467 | L | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.1 | -46.3 | 174.4 | 171.2 | 66.7 | 0 | 0 | 0 | 111.1 | L362 F366 L450 Y453 A464 Q465 E469 C470 L471 | L362-L467 HydrophobicContact CD2-CB 4.19Å; L362-L467 HydrophobicContact CD2-CD2 3.53Å; F366-L467 HydrophobicContact CD2-CD2 4.46Å; F366-L467 HydrophobicContact CE2-CD2 3.32Å; F366-L467 HydrophobicContact CZ-CD1 4.42Å; F366-L467 HydrophobicContact CZ-CD2 3.45Å; F366-L467 VanDerWaalsContact CZ-CD2 3.45Å; L450-L467 HydrophobicContact CD2-CD1 3.82Å; Y453-L467 HydrophobicContact CD1-CD1 3.93Å; Y453-L467 HydrophobicContact CD2-CB 3.9Å; Y453-L467 HydrophobicContact CD2-CD1 4.04Å; Y453-L467 HydrophobicContact CE1-CD1 4.36Å; Y453-L467 HydrophobicContact CE2-CB 3.81Å; Y453-L467 HydrophobicContact CE2-CD1 4.46Å; Y453-L467 HydrophobicContact CG-CB 4.48Å; Y453-L467 HydrophobicContact CG-CD1 3.75Å; A464-L467 WeakPolarHBondContact O-CB 3.23Å; A464-L467 PolarHBondContact O-N 2.85Å; A464-L467 VanDerWaalsContact O-N 3.17Å; Q465-L467 VanDerWaalsContact C-N 3.31Å; Q465-L467 PolarHBondContact O-N 3.08Å; L467-E469 VanDerWaalsContact C-N 3.27Å; L467-E469 PolarHBondContact O-N 3.44Å; L467-C470 PolarHBondContact O-N 3.17Å; L467-C470 VanDerWaalsContact O-N 3.16Å; L467-L471 HydrophobicContact CD1-CD1 3.82Å; L467-L471 HydrophobicContact CD1-CG 4.13Å; L467-L471 HydrophobicContact CD2-CD1 4.49Å; L467-L471 HydrophobicContact CG-CD1 3.91Å; L467-L471 PolarHBondContact O-N 3.08Å |
| 468 | W | 97.5 | Very high | 96.6 | Very high | 3 Ų | 3 | 47 Ų | 47 | 1% | 0.011 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.5 | -36.5 | -179.7 | -55.5 | 144.3 | 0 | 0 | 0 | 112.7 | F361 L437 A464 Q465 L471 G472 V479 A480 C483 T487 | F361-W468 AromaticContact CE2-CH2 3.9Å; F361-W468 HydrophobicContact CE2-CH2 3.9Å; F361-W468 AromaticContact CE2-CZ2 3.7Å; F361-W468 HydrophobicContact CE2-CZ2 3.7Å; F361-W468 HydrophobicContact CZ-CH2 4.36Å; F361-W468 AromaticContact CZ-CZ2 3.72Å; F361-W468 HydrophobicContact CZ-CZ2 3.72Å; L437-W468 HydrophobicContact CD2-CE3 4.06Å; L437-W468 HydrophobicContact CD2-CH2 4.45Å; L437-W468 HydrophobicContact CD2-CZ3 3.51Å; A464-W468 VanDerWaalsContact O-CG 3.29Å; A464-W468 PolarHBondContact O-N 3.41Å; A464-W468 VanDerWaalsContact O-N 3.11Å; A464-W468 PolarHBondContact O-NE1 3.44Å; Q465-W468 PolarHBondContact O-N 3.4Å; W468-L471 HydrophobicContact CE3-CD1 4.01Å; W468-L471 HydrophobicContact CZ3-CD1 4.04Å; W468-G472 PolarHBondContact O-N 3.05Å; W468-V479 HydrophobicContact CB-CG1 4.21Å; W468-V479 HydrophobicContact CD2-CG1 4.42Å; W468-V479 HydrophobicContact CE3-CG1 3.85Å; W468-A480 HydrophobicContact CB-CB 4.04Å; W468-C483 HydrophobicContact CD2-CB 3.53Å; W468-C483 HydrophobicContact CE3-CB 3.82Å; W468-C483 HydrophobicContact CG-CB 4.13Å; W468-C483 HydrophobicContact CH2-CB 3.91Å; W468-C483 HydrophobicContact CZ2-CB 3.59Å; W468-C483 HydrophobicContact CZ3-CB 4.01Å; W468-T487 HydrophobicContact CZ2-CG2 3.92Å |
| 469 | E | 98.1 | Very high | 96.5 | Very high | 71 Ų | 71 | 45.2 Ų | 45.2 | 33% | 0.332 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.6 | -43.5 | 174.2 | -75 | 171 | -169 | 0 | 0 | 113.1 | Q465 L467 G472 R473 | Q465-E469 WeakPolarHBondContact O-CG 3.23Å; Q465-E469 PolarHBondContact O-N 2.66Å; L467-E469 VanDerWaalsContact C-N 3.27Å; L467-E469 PolarHBondContact O-N 3.44Å; E469-G472 PolarHBondContact O-N 2.83Å; E469-R473 WeakPolarHBondContact O-CB 3.34Å; E469-R473 WeakPolarHBondContact O-CG 3.49Å; E469-R473 PolarHBondContact O-N 3.39Å |
| 470 | C | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.7 | -44.8 | 177.5 | -72.4 | 0 | 0 | 0 | 0 | 111.4 | E452 N466 L467 R473 S474 | E452-C470 HydrophobicContact CB-CB 4.45Å; E452-C470 PolarHBondContact OE1-SG 2.66Å; E452-C470 VanDerWaalsContact OE1-SG 3.35Å; N466-C470 PolarHBondContact O-N 3.31Å; L467-C470 PolarHBondContact O-N 3.17Å; L467-C470 VanDerWaalsContact O-N 3.16Å; C470-R473 PolarHBondContact O-N 2.99Å; C470-R473 PolarHBondContact SG-NH2 2.96Å; C470-S474 PolarHBondContact O-N 3.44Å |
| 471 | L | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.9 | -35.8 | 176.7 | -67.5 | 171.6 | 0 | 0 | 0 | 112.3 | L437 I441 F446 L450 L467 W468 S475 V479 | L437-L471 HydrophobicContact CD2-CD1 3.66Å; I441-L471 HydrophobicContact CD1-CB 4.17Å; I441-L471 HydrophobicContact CD1-CD2 3.95Å; F446-L471 HydrophobicContact CD2-CD2 4.08Å; F446-L471 HydrophobicContact CE2-CD2 4.48Å; L450-L471 HydrophobicContact CD2-CD2 4.47Å; L450-L471 HydrophobicContact CG-CD2 4.46Å; L467-L471 HydrophobicContact CD1-CD1 3.82Å; L467-L471 HydrophobicContact CD1-CG 4.13Å; L467-L471 HydrophobicContact CD2-CD1 4.49Å; L467-L471 HydrophobicContact CG-CD1 3.91Å; L467-L471 PolarHBondContact O-N 3.08Å; W468-L471 HydrophobicContact CE3-CD1 4.01Å; W468-L471 HydrophobicContact CZ3-CD1 4.04Å; L471-S475 WeakPolarHBondContact O-CB 3.43Å; L471-S475 PolarHBondContact O-N 3.45Å; L471-S475 VanDerWaalsContact O-N 3.13Å; L471-S475 PolarHBondContact O-OG 3.2Å; L471-V479 HydrophobicContact CB-CB 4.49Å; L471-V479 HydrophobicContact CB-CG1 3.98Å; L471-V479 HydrophobicContact CB-CG2 4.33Å |
| 472 | G | 97.7 | Very high | 95.3 | Very high | 13 Ų | 13 | 40.7 Ų | 40.7 | 13% | 0.134 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.6 | -47.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | W468 E469 S474 S475 G476 K477 | W468-G472 PolarHBondContact O-N 3.05Å; E469-G472 PolarHBondContact O-N 2.83Å; G472-S474 PolarHBondContact O-N 3.33Å; G472-S475 PolarHBondContact O-N 3.08Å; G472-S475 PolarHBondContact O-OG 3.43Å; G472-G476 WeakPolarHBondContact O-CA 3.48Å; G472-G476 PolarHBondContact O-N 2.88Å; G472-K477 VanDerWaalsContact CA-O 3.28Å; G472-K477 WeakPolarHBondContact CA-O 3.49Å |
| 473 | R | 98.2 | Very high | 95 | Very high | 127 Ų | 127 | 40.8 Ų | 40.8 | 48% | 0.479 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.1 | -47.6 | 174 | -79.3 | -165.3 | -70.2 | -89.6 | -2.8 | 112 | E452 E469 C470 S475 | E452-R473 IonicContact OE1-CZ 2.8Å; E452-R473 IonicContact OE1-NE 3.51Å; E452-R473 PolarHBondContact OE1-NE 3.49Å; E452-R473 IonicContact OE1-NH2 3.39Å; E452-R473 PolarHBondContact OE1-NH2 2.91Å; E452-R473 IonicContact OE2-NE 2.86Å; E469-R473 WeakPolarHBondContact O-CB 3.34Å; E469-R473 WeakPolarHBondContact O-CG 3.49Å; E469-R473 PolarHBondContact O-N 3.39Å; C470-R473 PolarHBondContact O-N 2.99Å; C470-R473 PolarHBondContact SG-NH2 2.96Å; R473-S475 VanDerWaalsContact C-N 3.27Å; R473-S475 PolarHBondContact O-N 3.4Å |
| 474 | S | 98.2 | Very high | 94.7 | Very high | 39 Ų | 39 | 37.4 Ų | 37.4 | 27% | 0.273 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -69.2 | -23.7 | -177 | -172.3 | 0 | 0 | 0 | 0 | 114 | A445 N448 G449 C470 G472 | A445-S474 WeakPolarHBondContact O-CB 3.5Å; A445-S474 PolarHBondContact O-OG 3.27Å; N448-S474 WeakPolarHBondContact CB-OG 3.46Å; G449-S474 PolarHBondContact N-OG 2.89Å; C470-S474 PolarHBondContact O-N 3.44Å; G472-S474 PolarHBondContact O-N 3.33Å |
| 475 | S | 96.7 | Very high | 94.2 | Very high | 27 Ų | 27 | 38.1 Ų | 38.1 | 19% | 0.189 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -104 | -16.9 | -177 | 62.8 | 0 | 0 | 0 | 0 | 114.3 | L471 G472 R473 K477 | L471-S475 WeakPolarHBondContact O-CB 3.43Å; L471-S475 PolarHBondContact O-N 3.45Å; L471-S475 VanDerWaalsContact O-N 3.13Å; L471-S475 PolarHBondContact O-OG 3.2Å; G472-S475 PolarHBondContact O-N 3.08Å; G472-S475 PolarHBondContact O-OG 3.43Å; R473-S475 VanDerWaalsContact C-N 3.27Å; R473-S475 PolarHBondContact O-N 3.4Å; S475-K477 PolarHBondContact O-N 3.01Å; S475-K477 PolarHBondContact OG-N 3.09Å |
| 476 | G | 95.5 | Very high | 93.9 | Very high | 73 Ų | 73 | 35 Ų | 35 | 75% | 0.753 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.1 | 14.2 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114 | G472 | G472-G476 WeakPolarHBondContact O-CA 3.48Å; G472-G476 PolarHBondContact O-N 2.88Å |
| 477 | K | 90.8 | Very high | 93.8 | Very high | 90 Ų | 90 | 33.5 Ų | 33.5 | 39% | 0.391 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -111 | 153.9 | -178.7 | -59.4 | -173.3 | -176.7 | -174.2 | 0 | 111.3 | F440 I441 G472 S475 V479 | F440-K477 HydrophobicContact CD1-CD 4.1Å; F440-K477 HydrophobicContact CE1-CB 4.29Å; F440-K477 HydrophobicContact CE1-CD 3.54Å; F440-K477 HydrophobicContact CZ-CD 4.02Å; F440-K477 PolarHBondContact O-NZ 3.39Å; I441-K477 HydrophobicContact CG2-CD 4.34Å; G472-K477 VanDerWaalsContact CA-O 3.28Å; G472-K477 WeakPolarHBondContact CA-O 3.49Å; S475-K477 PolarHBondContact O-N 3.01Å; S475-K477 PolarHBondContact OG-N 3.09Å; K477-V479 VanDerWaalsContact C-N 3.26Å; K477-V479 PolarHBondContact O-N 3.19Å |
| 478 | D | 89.3 | Confident | 93.6 | Very high | 102 Ų | 102 | 39 Ų | 39 | 55% | 0.545 | 22% | 0.222 | S | C | . | . | trans | -76.3 | 75.4 | 174.4 | -174.9 | 2.9 | 0 | 0 | 0 | 111.8 | A480 T481 L482 | D478-A480 VanDerWaalsContact C-N 3.34Å; D478-T481 VanDerWaalsContact CG-CB 3.48Å; D478-T481 VanDerWaalsContact CG-OG1 3.24Å; D478-T481 WeakPolarHBondContact OD1-CB 3.44Å; D478-T481 PolarHBondContact OD1-N 3.49Å; D478-T481 PolarHBondContact OD1-OG1 3.46Å; D478-T481 WeakPolarHBondContact OD2-CB 3.38Å; D478-T481 PolarHBondContact OD2-OG1 3.22Å; D478-L482 PolarHBondContact O-N 3.2Å | ||
| 479 | V | 93.2 | Very high | 93.2 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.4 | -33.5 | 179.8 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | L437 I441 W468 L471 K477 L482 C483 | L437-V479 HydrophobicContact CD1-CG1 3.88Å; L437-V479 HydrophobicContact CD1-CG2 4.29Å; L437-V479 HydrophobicContact CD2-CG1 4.14Å; I441-V479 HydrophobicContact CG2-CG2 3.84Å; W468-V479 HydrophobicContact CB-CG1 4.21Å; W468-V479 HydrophobicContact CD2-CG1 4.42Å; W468-V479 HydrophobicContact CE3-CG1 3.85Å; L471-V479 HydrophobicContact CB-CB 4.49Å; L471-V479 HydrophobicContact CB-CG1 3.98Å; L471-V479 HydrophobicContact CB-CG2 4.33Å; K477-V479 VanDerWaalsContact C-N 3.26Å; K477-V479 PolarHBondContact O-N 3.19Å; V479-L482 PolarHBondContact O-N 3.11Å; V479-C483 WeakPolarHBondContact O-CB 3.41Å; V479-C483 PolarHBondContact O-N 3.04Å; V479-C483 PolarHBondContact O-SG 2.91Å |
| 480 | A | 91.9 | Very high | 92.9 | Very high | 20 Ų | 20 | 43.3 Ų | 43.3 | 17% | 0.165 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.4 | -47.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | W468 D478 S484 | W468-A480 HydrophobicContact CB-CB 4.04Å; D478-A480 VanDerWaalsContact C-N 3.34Å; A480-S484 WeakPolarHBondContact O-CB 3.45Å; A480-S484 PolarHBondContact O-N 2.85Å; A480-S484 PolarHBondContact O-OG 3.43Å |
| 481 | T | 86.2 | Confident | 92.6 | Very high | 62 Ų | 62 | 43.5 Ų | 43.5 | 38% | 0.38 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.4 | -41.9 | 175.9 | -62.6 | 0 | 0 | 0 | 0 | 111.6 | D478 A485 | D478-T481 VanDerWaalsContact CG-CB 3.48Å; D478-T481 VanDerWaalsContact CG-OG1 3.24Å; D478-T481 WeakPolarHBondContact OD1-CB 3.44Å; D478-T481 PolarHBondContact OD1-N 3.49Å; D478-T481 PolarHBondContact OD1-OG1 3.46Å; D478-T481 WeakPolarHBondContact OD2-CB 3.38Å; D478-T481 PolarHBondContact OD2-OG1 3.22Å; T481-A485 PolarHBondContact O-N 3.33Å |
| 482 | L | 86.1 | Confident | 92.3 | Very high | 20 Ų | 20 | 43.5 Ų | 43.5 | 11% | 0.105 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.4 | -56.8 | 178.3 | 178.3 | 67.4 | 0 | 0 | 0 | 110.7 | L437 F440 D478 V479 A485 W486 | L437-L482 HydrophobicContact CD1-CD2 4.18Å; F440-L482 HydrophobicContact CD1-CD2 3.46Å; F440-L482 VanDerWaalsContact CD1-CD2 3.46Å; F440-L482 HydrophobicContact CE1-CD2 3.67Å; F440-L482 HydrophobicContact CG-CD2 3.95Å; F440-L482 HydrophobicContact CZ-CD2 4.31Å; D478-L482 PolarHBondContact O-N 3.2Å; V479-L482 PolarHBondContact O-N 3.11Å; L482-A485 WeakPolarHBondContact O-CB 3.28Å; L482-A485 PolarHBondContact O-N 3.06Å; L482-W486 VanDerWaalsContact O-CD1 3.23Å |
| 483 | C | 91.4 | Very high | 91.9 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.02 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.5 | -39.9 | -172.4 | -61.6 | 0 | 0 | 0 | 0 | 112.1 | W468 V479 A485 W486 T487 | W468-C483 HydrophobicContact CD2-CB 3.53Å; W468-C483 HydrophobicContact CE3-CB 3.82Å; W468-C483 HydrophobicContact CG-CB 4.13Å; W468-C483 HydrophobicContact CH2-CB 3.91Å; W468-C483 HydrophobicContact CZ2-CB 3.59Å; W468-C483 HydrophobicContact CZ3-CB 4.01Å; V479-C483 WeakPolarHBondContact O-CB 3.41Å; V479-C483 PolarHBondContact O-N 3.04Å; V479-C483 PolarHBondContact O-SG 2.91Å; C483-A485 PolarHBondContact O-N 2.91Å; C483-A485 VanDerWaalsContact O-N 3.14Å; C483-W486 CarbonylContact O-C 3.59Å; C483-W486 WeakPolarHBondContact O-CA 3.1Å; C483-W486 PolarHBondContact O-N 2.84Å; C483-T487 PolarHBondContact O-N 3.12Å; C483-T487 PolarHBondContact O-OG1 3.32Å; C483-T487 VanDerWaalsContact O-OG1 3.07Å |
| 484 | S | 91.4 | Very high | 91.5 | Very high | 27 Ų | 27 | 36.9 Ų | 36.9 | 19% | 0.189 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.3 | -33.1 | 175.8 | -66.8 | 0 | 0 | 0 | 0 | 112.5 | A480 W486 K488 | A480-S484 WeakPolarHBondContact O-CB 3.45Å; A480-S484 PolarHBondContact O-N 2.85Å; A480-S484 PolarHBondContact O-OG 3.43Å; S484-W486 VanDerWaalsContact C-N 3.25Å; S484-W486 PolarHBondContact O-N 2.74Å; S484-K488 WeakPolarHBondContact O-CB 3.5Å; S484-K488 PolarHBondContact O-N 3.49Å |
| 485 | A | 86.3 | Confident | 91 | Very high | 20 Ų | 20 | 35 Ų | 35 | 17% | 0.165 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.4 | -25 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | T481 L482 C483 R489 V527 | T481-A485 PolarHBondContact O-N 3.33Å; L482-A485 WeakPolarHBondContact O-CB 3.28Å; L482-A485 PolarHBondContact O-N 3.06Å; C483-A485 PolarHBondContact O-N 2.91Å; C483-A485 VanDerWaalsContact O-N 3.14Å; A485-R489 WeakPolarHBondContact O-CD 3.34Å; A485-V527 HydrophobicContact CB-CG1 4.07Å |
| 486 | W | 91.4 | Very high | 90.5 | Very high | 4 Ų | 4 | 34.9 Ų | 34.9 | 2% | 0.015 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -97.2 | -33.8 | 179.4 | -71.8 | 102.4 | 0 | 0 | 0 | 113.4 | I433 M436 L482 C483 S484 P493 V527 S528 Y595 | I433-W486 HydrophobicContact CD1-CB 3.98Å; I433-W486 HydrophobicContact CD1-CD2 3.86Å; I433-W486 HydrophobicContact CD1-CE3 3.63Å; I433-W486 HydrophobicContact CD1-CG 4.03Å; I433-W486 HydrophobicContact CD1-CZ3 4.34Å; I433-W486 HydrophobicContact CG1-CB 4.33Å; I433-W486 HydrophobicContact CG2-CB 4.14Å; M436-W486 HydrophobicContact CE-CD2 3.87Å; M436-W486 HydrophobicContact CE-CG 3.98Å; M436-W486 HydrophobicContact CE-CZ2 4.05Å; M436-W486 HydrophobicContact SD-CZ2 4.21Å; L482-W486 VanDerWaalsContact O-CD1 3.23Å; C483-W486 CarbonylContact O-C 3.59Å; C483-W486 WeakPolarHBondContact O-CA 3.1Å; C483-W486 PolarHBondContact O-N 2.84Å; S484-W486 VanDerWaalsContact C-N 3.25Å; S484-W486 PolarHBondContact O-N 2.74Å; W486-P493 HydrophobicContact CH2-CG 4.01Å; W486-V527 HydrophobicContact CH2-CG2 3.78Å; W486-V527 HydrophobicContact CZ2-CB 4.14Å; W486-V527 HydrophobicContact CZ2-CG2 3.58Å; W486-V527 HydrophobicContact CZ3-CG2 4.38Å; W486-S528 PolarHBondContact NE1-O 3.41Å; W486-Y595 HydrophobicContact CE3-CD1 4.5Å; W486-Y595 VanDerWaalsContact CH2-O 3.32Å; W486-Y595 WeakPolarHBondContact CH2-O 3.39Å; W486-Y595 HydrophobicContact CZ3-CD1 4.1Å; W486-Y595 WeakPolarHBondContact CZ3-O 3.46Å |
| 487 | T | 94.7 | Very high | 90 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -86.4 | -38.2 | -175.3 | 56.8 | 0 | 0 | 0 | 0 | 113.2 | P407 I408 E409 W468 C483 R489 | P407-T487 WeakPolarHBondContact CB-O 3.44Å; I408-T487 HydrophobicContact CB-CG2 4.49Å; I408-T487 HydrophobicContact CD1-CG2 4.11Å; I408-T487 PolarHBondContact N-O 3.04Å; E409-T487 PolarHBondContact N-O 3.36Å; E409-T487 WeakPolarHBondContact OE1-CB 3.34Å; E409-T487 PolarHBondContact OE1-OG1 3.21Å; W468-T487 HydrophobicContact CZ2-CG2 3.92Å; C483-T487 PolarHBondContact O-N 3.12Å; C483-T487 PolarHBondContact O-OG1 3.32Å; C483-T487 VanDerWaalsContact O-OG1 3.07Å; T487-R489 VanDerWaalsContact C-N 3.31Å; T487-R489 PolarHBondContact O-N 3.08Å |
| 488 | K | 93.7 | Very high | 89.6 | Confident | 117 Ų | 117 | 32 Ų | 32 | 51% | 0.509 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -85.3 | -2 | -178 | -60.6 | -179.7 | 175.5 | 173.3 | 0 | 113.9 | E409 S484 | E409-K488 HydrophobicContact CB-CG 4.46Å; E409-K488 WeakPolarHBondContact OE2-CE 3.46Å; E409-K488 WeakPolarHBondContact OE2-CG 3.13Å; S484-K488 WeakPolarHBondContact O-CB 3.5Å; S484-K488 PolarHBondContact O-N 3.49Å |
| 489 | R | 89.4 | Confident | 89 | Confident | 110 Ų | 110 | 28.9 Ų | 28.9 | 42% | 0.415 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -120.6 | 140.2 | -177 | -61.9 | -176.3 | -176.7 | 169.7 | -1.6 | 111.5 | K429 A485 T487 I526 | K429-R489 PolarHBondContact NZ-O 3.3Å; A485-R489 WeakPolarHBondContact O-CD 3.34Å; T487-R489 VanDerWaalsContact C-N 3.31Å; T487-R489 PolarHBondContact O-N 3.08Å; R489-I526 PolarHBondContact NH1-O 3.07Å |
| 490 | M | 91.3 | Very high | 88.1 | Confident | 54 Ų | 54 | 32.4 Ų | 32.4 | 27% | 0.266 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -78.3 | 143.8 | 172.9 | 176.6 | 179.7 | 47.1 | 0 | 0 | 110.5 | S405 Y525 | S405-M490 VanDerWaalsContact CB-SD 3.6Å; M490-Y525 PolarHBondContact O-OH 3.03Å |
| 491 | G | 92.1 | Very high | 87.1 | Confident | 3 Ų | 3 | 36.4 Ų | 36.4 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | S | Bend | trans | 82.8 | -177.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | D400 K429 Y525 | D400-G491 VanDerWaalsContact CG-CA 3.47Å; D400-G491 WeakPolarHBondContact OD1-CA 2.97Å; D400-G491 PolarHBondContact OD1-N 2.64Å; D400-G491 VanDerWaalsContact OD2-C 3.24Å; D400-G491 VanDerWaalsContact OD2-CA 3.23Å; D400-G491 WeakPolarHBondContact OD2-CA 3.46Å; D400-G491 PolarHBondContact OD2-N 3.11Å; K429-G491 PolarHBondContact NZ-O 2.86Å; G491-Y525 PolarHBondContact O-OH 3.33Å |
| 492 | Y | 92.8 | Very high | 86 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -144.9 | 160.6 | 177.9 | 58.9 | -94.9 | 0 | 0 | 0 | 110.5 | M397 D400 S401 F515 Y525 Y595 R597 | M397-Y492 HydrophobicContact CB-CE1 3.77Å; M397-Y492 HydrophobicContact CG-CD1 4.34Å; M397-Y492 HydrophobicContact CG-CE1 3.89Å; M397-Y492 VanDerWaalsContact O-CE1 3.28Å; M397-Y492 WeakPolarHBondContact O-CE1 3.24Å; M397-Y492 PolarHBondContact O-OH 2.95Å; M397-Y492 VanDerWaalsContact O-OH 3.14Å; D400-Y492 HydrophobicContact CB-CD1 4.03Å; D400-Y492 HydrophobicContact CB-CE1 4.07Å; S401-Y492 WeakPolarHBondContact CB-OH 3.19Å; Y492-F515 HydrophobicContact CD2-CB 4.16Å; Y492-F515 HydrophobicContact CE2-CB 3.73Å; Y492-F515 AromaticContact CE2-CD1 3.56Å; Y492-F515 HydrophobicContact CE2-CD1 3.56Å; Y492-F515 HydrophobicContact CE2-CE1 4.5Å; Y492-F515 AromaticContact CE2-CG 3.92Å; Y492-F515 HydrophobicContact CE2-CG 3.92Å; Y492-F515 AromaticContact CZ-CD1 3.58Å; Y492-F515 PolarHBondContact O-N 3.15Å; Y492-F515 WeakPolarHBondContact OH-CD1 3.38Å; Y492-F515 WeakPolarHBondContact OH-CE1 2.93Å; Y492-Y525 WeakPolarHBondContact CA-OH 3.48Å; Y492-Y525 PolarHBondContact N-OH 2.78Å; Y492-Y525 VanDerWaalsContact N-OH 3.13Å; Y492-Y595 WeakPolarHBondContact CB-O 3.45Å; Y492-Y595 HydrophobicContact CD1-CD1 4.41Å; Y492-Y595 AromaticContact CD1-CE1 3.72Å; Y492-Y595 HydrophobicContact CD1-CE1 3.72Å; Y492-Y595 HydrophobicContact CG-CD1 4.26Å; Y492-Y595 HydrophobicContact CG-CE1 4.03Å; Y492-R597 HydrophobicContact CE2-CG 3.74Å; Y492-R597 PolarHBondContact OH-NE 2.95Å | ||
| 493 | P | 89.3 | Confident | 85 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 155 | -179.9 | 28.7 | -29.3 | 0 | 0 | 0 | 113.8 | W486 Q512 R513 V527 Y596 R597 | W486-P493 HydrophobicContact CH2-CG 4.01Å; P493-Q512 HydrophobicContact CB-CG 3.45Å; P493-Q512 VanDerWaalsContact CB-CG 3.45Å; P493-Q512 HydrophobicContact CG-CG 4.37Å; P493-R513 CarbonylContact C-O 3.59Å; P493-R513 VanDerWaalsContact CA-O 3.29Å; P493-R513 WeakPolarHBondContact CA-O 3.4Å; P493-V527 HydrophobicContact CG-CG2 3.66Å; P493-Y596 WeakPolarHBondContact O-CA 3.17Å; P493-Y596 WeakPolarHBondContact O-CB 3.33Å; P493-R597 PolarHBondContact O-N 3.31Å; P493-R597 VanDerWaalsContact O-N 3.12Å |
| 494 | M | 89.7 | Confident | 83.7 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 139.9 | 152.4 | 171.4 | -177.6 | 68.6 | 0 | 0 | 108.3 | E496 Q512 R513 F515 R597 K599 F632 L637 | M494-E496 HydrophobicContact CE-CG 3.9Å; M494-E496 WeakPolarHBondContact CE-OE1 3.39Å; M494-E496 HydrophobicContact SD-CG 4.45Å; M494-Q512 WeakPolarHBondContact O-CA 3.33Å; M494-R513 HydrophobicContact CE-CG 3.87Å; M494-R513 PolarHBondContact N-O 3.03Å; M494-R513 PolarHBondContact O-N 3.46Å; M494-R513 VanDerWaalsContact O-N 3.12Å; M494-F515 HydrophobicContact CB-CB 3.94Å; M494-F515 HydrophobicContact CB-CD2 4.12Å; M494-F515 HydrophobicContact CB-CG 4.46Å; M494-F515 HydrophobicContact SD-CD2 4.34Å; M494-R597 CarbonylContact C-O 3.48Å; M494-R597 WeakPolarHBondContact CA-O 3.3Å; M494-K599 HydrophobicContact CE-CD 4.42Å; M494-K599 HydrophobicContact CG-CB 4.06Å; M494-K599 HydrophobicContact SD-CB 3.76Å; M494-K599 HydrophobicContact SD-CD 3.78Å; M494-K599 HydrophobicContact SD-CG 4.4Å; M494-F632 HydrophobicContact CB-CE1 4.37Å; M494-F632 HydrophobicContact CG-CE1 3.63Å; M494-F632 HydrophobicContact CG-CZ 3.87Å; M494-F632 HydrophobicContact SD-CD1 3.69Å; M494-F632 HydrophobicContact SD-CE1 3.14Å; M494-F632 WeakPolarHBondContact SD-CE1 3.44Å; M494-F632 HydrophobicContact SD-CZ 3.82Å; M494-L637 HydrophobicContact CE-CD1 3.96Å; M494-L637 HydrophobicContact SD-CD1 3.89Å |
| 495 | I | 87.2 | Confident | 82.1 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 115.5 | 172.9 | -61.4 | 169.2 | 0 | 0 | 0 | 107.7 | V497 F510 E511 V531 L564 Y596 R597 V598 K599 | I495-V497 HydrophobicContact CG2-CG2 4.15Å; I495-F510 HydrophobicContact CG2-CB 4.39Å; I495-F510 HydrophobicContact CG2-CD1 3.7Å; I495-E511 CarbonylContact C-O 3.56Å; I495-E511 VanDerWaalsContact CA-O 3.3Å; I495-E511 WeakPolarHBondContact CA-O 3.35Å; I495-V531 HydrophobicContact CD1-CG2 4.28Å; I495-L564 HydrophobicContact CD1-CD1 3.44Å; I495-L564 VanDerWaalsContact CD1-CD1 3.44Å; I495-L564 HydrophobicContact CG1-CD1 3.87Å; I495-L564 HydrophobicContact CG2-CD1 4.23Å; I495-Y596 HydrophobicContact CD1-CD1 4.16Å; I495-Y596 HydrophobicContact CD1-CD2 3.41Å; I495-Y596 VanDerWaalsContact CD1-CD2 3.41Å; I495-Y596 HydrophobicContact CD1-CE1 4.2Å; I495-Y596 HydrophobicContact CD1-CE2 3.45Å; I495-Y596 VanDerWaalsContact CD1-CE2 3.45Å; I495-Y596 HydrophobicContact CD1-CG 3.78Å; I495-Y596 HydrophobicContact CG1-CD2 4.15Å; I495-R597 PolarHBondContact N-O 3.14Å; I495-V598 CarbonylContact O-C 3.55Å; I495-V598 WeakPolarHBondContact O-CA 3.48Å; I495-K599 PolarHBondContact O-N 3.19Å |
| 496 | E | 87.2 | Confident | 80.9 | Confident | 24 Ų | 24 | 55.8 Ų | 55.8 | 11% | 0.112 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 136.3 | 170.5 | -52.1 | -154.5 | -163 | 0 | 0 | 109.4 | M494 F510 E511 R513 K599 | M494-E496 HydrophobicContact CE-CG 3.9Å; M494-E496 WeakPolarHBondContact CE-OE1 3.39Å; M494-E496 HydrophobicContact SD-CG 4.45Å; E496-F510 CarbonylContact O-C 3.56Å; E496-F510 VanDerWaalsContact O-CA 3.31Å; E496-F510 WeakPolarHBondContact O-CA 3.03Å; E496-E511 HydrophobicContact CB-CB 4.38Å; E496-E511 PolarHBondContact N-O 3.41Å; E496-E511 PolarHBondContact O-N 3.41Å; E496-R513 IonicContact OE1-CZ 3.78Å; E496-R513 IonicContact OE1-NE 2.69Å; E496-R513 PolarHBondContact OE1-NE 3.36Å; E496-R513 VanDerWaalsContact OE1-NE 3.12Å; E496-R513 IonicContact OE1-NH2 2.84Å; E496-R513 PolarHBondContact OE1-NH2 3.3Å; E496-K599 WeakPolarHBondContact CA-O 3.38Å; E496-K599 HydrophobicContact CG-CB 4.28Å; E496-K599 HydrophobicContact CG-CD 4.37Å; E496-K599 IonicContact OE2-NZ 3.96Å; E496-K599 PolarHBondContact OE2-NZ 3.32Å |
| 497 | V | 84.7 | Confident | 79.9 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 120.2 | -177.7 | -173.9 | 0 | 0 | 0 | 0 | 109.1 | I495 L508 K509 F510 V588 V598 K599 Y600 S601 L604 | I495-V497 HydrophobicContact CG2-CG2 4.15Å; V497-L508 HydrophobicContact CG1-CD2 4.08Å; V497-K509 WeakPolarHBondContact CA-O 3.42Å; V497-F510 HydrophobicContact CG1-CE1 4.21Å; V497-F510 HydrophobicContact CG2-CD1 3.89Å; V497-F510 HydrophobicContact CG2-CE1 3.84Å; V497-V588 HydrophobicContact CG1-CG2 4.42Å; V497-V588 HydrophobicContact CG2-CG2 4.2Å; V497-V598 HydrophobicContact CB-CG1 4.5Å; V497-V598 HydrophobicContact CG2-CG1 3.56Å; V497-K599 PolarHBondContact N-O 2.98Å; V497-Y600 HydrophobicContact CB-CD1 4.33Å; V497-S601 PolarHBondContact O-N 3.49Å; V497-S601 VanDerWaalsContact O-N 3.08Å; V497-L604 HydrophobicContact CG1-CD1 3.97Å; V497-L604 WeakPolarHBondContact O-CD1 3.32Å |
| 498 | E | 82.8 | Confident | 78.8 | Confident | 101 Ų | 101 | 57.3 Ų | 57.3 | 47% | 0.472 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 148.7 | 174.8 | -62.2 | -169.3 | 158.9 | 0 | 0 | 110.6 | L508 K509 | E498-L508 CarbonylContact O-C 3.08Å; E498-L508 WeakPolarHBondContact O-CA 3.12Å; E498-K509 HydrophobicContact CB-CB 4.33Å; E498-K509 PolarHBondContact N-O 2.77Å; E498-K509 PolarHBondContact O-N 3.27Å |
| 499 | L | 77.5 | Confident | 78 | Confident | 36 Ų | 36 | 55.6 Ų | 55.6 | 19% | 0.188 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 116.9 | 174.3 | 177.2 | 66.3 | 0 | 0 | 0 | 108.1 | E501 R506 L508 L604 | L499-E501 HydrophobicContact CD2-CG 4.26Å; L499-E501 HydrophobicContact CG-CG 4.12Å; L499-R506 HydrophobicContact CD1-CB 3.98Å; L499-R506 HydrophobicContact CD1-CG 4.32Å; L499-L508 HydrophobicContact CD1-CD2 4.08Å; L499-L604 HydrophobicContact CB-CD1 4.04Å; L499-L604 HydrophobicContact CB-CD2 4.01Å; L499-L604 HydrophobicContact CB-CG 4.08Å; L499-L604 HydrophobicContact CD2-CD2 4.17Å |
| 500 | E | 72.5 | Confident | 77.4 | Confident | 75 Ų | 75 | 51 Ų | 51 | 35% | 0.35 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 128.3 | 168.2 | -69 | -164.3 | 157.9 | 0 | 0 | 110.4 | R506 C507 K509 | E500-R506 CarbonylContact O-C 3.57Å; E500-R506 WeakPolarHBondContact O-CA 3.24Å; E500-C507 HydrophobicContact CB-CB 4.49Å; E500-C507 PolarHBondContact N-O 2.91Å; E500-C507 PolarHBondContact O-N 2.98Å; E500-K509 VanDerWaalsContact CD-CD 3.47Å; E500-K509 HydrophobicContact CG-CD 3.97Å; E500-K509 HydrophobicContact CG-CG 4.38Å; E500-K509 WeakPolarHBondContact OE1-CD 3.42Å; E500-K509 VanDerWaalsContact OE1-CE 3.23Å; E500-K509 WeakPolarHBondContact OE1-CE 3.48Å; E500-K509 IonicContact OE1-NZ 2.88Å; E500-K509 PolarHBondContact OE1-NZ 3.43Å; E500-K509 WeakPolarHBondContact OE2-CE 3.28Å; E500-K509 IonicContact OE2-NZ 3.18Å; E500-K509 PolarHBondContact OE2-NZ 2.89Å |
| 501 | E | 71.9 | Confident | 76.9 | Confident | 105 Ų | 105 | 53.3 Ų | 53.3 | 49% | 0.491 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 114.7 | 175.3 | -54.2 | -165.2 | 97.8 | 0 | 0 | 109.3 | L499 K505 R506 | L499-E501 HydrophobicContact CD2-CG 4.26Å; L499-E501 HydrophobicContact CG-CG 4.12Å; E501-K505 WeakPolarHBondContact CA-O 3.41Å; E501-R506 HydrophobicContact CG-CG 4.19Å; E501-R506 IonicContact OE1-CZ 3.98Å; E501-R506 IonicContact OE1-NE 2.83Å; E501-R506 PolarHBondContact OE1-NE 3.33Å; E501-R506 IonicContact OE1-NH2 3.16Å; E501-R506 PolarHBondContact OE1-NH2 3.03Å |
| 502 | T | 62.9 | Low | 76.4 | Confident | 92 Ų | 92 | 53.2 Ų | 53.2 | 56% | 0.564 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 99.1 | 174.6 | 56.6 | 0 | 0 | 0 | 0 | 109.3 | D504 K505 | T502-D504 PolarHBondContact O-N 3.25Å; T502-K505 PolarHBondContact N-O 3.44Å; T502-K505 WeakPolarHBondContact O-CB 3.23Å; T502-K505 PolarHBondContact O-N 2.96Å |
| 503 | G | 65.2 | Low | 76 | Confident | 80 Ų | 80 | 56 Ų | 56 | 83% | 0.825 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | -126.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | K505 | G503-K505 VanDerWaalsContact C-N 3.27Å; G503-K505 PolarHBondContact O-N 2.82Å |
| 504 | D | 63 | Low | 76 | Confident | 167 Ų | 167 | 57.1 Ų | 57.1 | 89% | 0.893 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -2.5 | 176.3 | -60.8 | -35.8 | 0 | 0 | 0 | 113.7 | T502 | T502-D504 PolarHBondContact O-N 3.25Š|
| 505 | K | 58.2 | Low | 76.1 | Confident | 142 Ų | 142 | 57.1 Ų | 57.1 | 62% | 0.617 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 130 | -178.6 | -63.7 | -177.2 | -178.8 | 179.3 | 0 | 110.8 | E501 T502 G503 | E501-K505 WeakPolarHBondContact CA-O 3.41Å; T502-K505 PolarHBondContact N-O 3.44Å; T502-K505 WeakPolarHBondContact O-CB 3.23Å; T502-K505 PolarHBondContact O-N 2.96Å; G503-K505 VanDerWaalsContact C-N 3.27Å; G503-K505 PolarHBondContact O-N 2.82Å |
| 506 | R | 62.8 | Low | 76.5 | Confident | 58 Ų | 58 | 57.5 Ų | 57.5 | 22% | 0.219 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 129.6 | 167.3 | -71 | -171.3 | 170.3 | -162.7 | -9.1 | 109.8 | L499 E500 E501 G582 S583 R584 | L499-R506 HydrophobicContact CD1-CB 3.98Å; L499-R506 HydrophobicContact CD1-CG 4.32Å; E500-R506 CarbonylContact O-C 3.57Å; E500-R506 WeakPolarHBondContact O-CA 3.24Å; E501-R506 HydrophobicContact CG-CG 4.19Å; E501-R506 IonicContact OE1-CZ 3.98Å; E501-R506 IonicContact OE1-NE 2.83Å; E501-R506 PolarHBondContact OE1-NE 3.33Å; E501-R506 IonicContact OE1-NH2 3.16Å; E501-R506 PolarHBondContact OE1-NH2 3.03Å; R506-G582 WeakPolarHBondContact CD-O 3.35Å; R506-S583 VanDerWaalsContact NH1-C 3.29Å; R506-R584 PolarHBondContact NH1-O 3.19Å |
| 507 | C | 68.8 | Low | 76.8 | Confident | 22 Ų | 22 | 56.5 Ų | 56.5 | 15% | 0.149 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 131.8 | 174.9 | -173.3 | 0 | 0 | 0 | 0 | 109.8 | E500 | E500-C507 HydrophobicContact CB-CB 4.49Å; E500-C507 PolarHBondContact N-O 2.91Å; E500-C507 PolarHBondContact O-N 2.98Å |
| 508 | L | 73 | Confident | 77.2 | Confident | 15 Ų | 15 | 58.4 Ų | 58.4 | 8% | 0.079 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 117.3 | 166.9 | -67.4 | 173.7 | 0 | 0 | 0 | 108.2 | V497 E498 L499 F510 F535 A586 | V497-L508 HydrophobicContact CG1-CD2 4.08Å; E498-L508 CarbonylContact O-C 3.08Å; E498-L508 WeakPolarHBondContact O-CA 3.12Å; L499-L508 HydrophobicContact CD1-CD2 4.08Å; L508-F510 HydrophobicContact CB-CE2 3.79Å; L508-F510 HydrophobicContact CB-CZ 3.93Å; L508-F510 HydrophobicContact CD1-CZ 4.29Å; L508-F535 HydrophobicContact CD1-CE1 4.28Å; L508-F535 HydrophobicContact CD1-CZ 4.49Å; L508-A586 HydrophobicContact CD1-CB 3.62Å; L508-A586 HydrophobicContact CD2-CB 4.32Å |
| 509 | K | 75.1 | Confident | 77.4 | Confident | 80 Ų | 80 | 54.8 Ų | 54.8 | 35% | 0.348 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 135.7 | 169.9 | -75 | -171.1 | 165.9 | 174.3 | 0 | 109.3 | V497 E498 E500 | V497-K509 WeakPolarHBondContact CA-O 3.42Å; E498-K509 HydrophobicContact CB-CB 4.33Å; E498-K509 PolarHBondContact N-O 2.77Å; E498-K509 PolarHBondContact O-N 3.27Å; E500-K509 VanDerWaalsContact CD-CD 3.47Å; E500-K509 HydrophobicContact CG-CD 3.97Å; E500-K509 HydrophobicContact CG-CG 4.38Å; E500-K509 WeakPolarHBondContact OE1-CD 3.42Å; E500-K509 VanDerWaalsContact OE1-CE 3.23Å; E500-K509 WeakPolarHBondContact OE1-CE 3.48Å; E500-K509 IonicContact OE1-NZ 2.88Å; E500-K509 PolarHBondContact OE1-NZ 3.43Å; E500-K509 WeakPolarHBondContact OE2-CE 3.28Å; E500-K509 IonicContact OE2-NZ 3.18Å; E500-K509 PolarHBondContact OE2-NZ 2.89Å |
| 510 | F | 77.4 | Confident | 77.8 | Confident | 14 Ų | 14 | 55.2 Ų | 55.2 | 6% | 0.061 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 143.4 | 174.5 | -61.7 | -85.1 | 0 | 0 | 0 | 108.7 | I495 E496 V497 L508 I533 L564 W571 L573 V588 | I495-F510 HydrophobicContact CG2-CB 4.39Å; I495-F510 HydrophobicContact CG2-CD1 3.7Å; E496-F510 CarbonylContact O-C 3.56Å; E496-F510 VanDerWaalsContact O-CA 3.31Å; E496-F510 WeakPolarHBondContact O-CA 3.03Å; V497-F510 HydrophobicContact CG1-CE1 4.21Å; V497-F510 HydrophobicContact CG2-CD1 3.89Å; V497-F510 HydrophobicContact CG2-CE1 3.84Å; L508-F510 HydrophobicContact CB-CE2 3.79Å; L508-F510 HydrophobicContact CB-CZ 3.93Å; L508-F510 HydrophobicContact CD1-CZ 4.29Å; F510-I533 HydrophobicContact CZ-CD1 3.78Å; F510-L564 HydrophobicContact CB-CD2 3.8Å; F510-L564 HydrophobicContact CD1-CD2 4.4Å; F510-L564 HydrophobicContact CD2-CD2 4.29Å; F510-L564 HydrophobicContact CG-CD2 3.9Å; F510-W571 HydrophobicContact CB-CE3 3.76Å; F510-W571 HydrophobicContact CB-CZ3 4.17Å; F510-W571 VanDerWaalsContact O-CE3 3.24Å; F510-L573 HydrophobicContact CE2-CB 4.03Å; F510-V588 HydrophobicContact CE1-CG1 4.36Å; F510-V588 HydrophobicContact CE1-CG2 4.15Å |
| 511 | E | 80.2 | Confident | 77.9 | Confident | 102 Ų | 102 | 57 Ų | 57 | 48% | 0.477 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 139 | 162.9 | -177.9 | 173 | -171.5 | 0 | 0 | 108.9 | I495 E496 | I495-E511 CarbonylContact C-O 3.56Å; I495-E511 VanDerWaalsContact CA-O 3.3Å; I495-E511 WeakPolarHBondContact CA-O 3.35Å; E496-E511 HydrophobicContact CB-CB 4.38Å; E496-E511 PolarHBondContact N-O 3.41Å; E496-E511 PolarHBondContact O-N 3.41Å |
| 512 | Q | 81.7 | Confident | 77.8 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 137.1 | 178.4 | -177.2 | 176.4 | -47.4 | 0 | 0 | 112.2 | P493 M494 V527 W571 | P493-Q512 HydrophobicContact CB-CG 3.45Å; P493-Q512 VanDerWaalsContact CB-CG 3.45Å; P493-Q512 HydrophobicContact CG-CG 4.37Å; M494-Q512 WeakPolarHBondContact O-CA 3.33Å; Q512-V527 VanDerWaalsContact NE2-N 3.18Å; Q512-V527 PolarHBondContact NE2-O 3.12Å; Q512-W571 HydrophobicContact CB-CE3 4.49Å; Q512-W571 HydrophobicContact CB-CH2 3.02Å; Q512-W571 HydrophobicContact CB-CZ2 4.01Å; Q512-W571 HydrophobicContact CB-CZ3 3.3Å; Q512-W571 HydrophobicContact CG-CH2 4.05Å; Q512-W571 VanDerWaalsContact N-CZ3 3.31Å |
| 513 | R | 84.2 | Confident | 78.2 | Confident | 60 Ų | 60 | 53.1 Ų | 53.1 | 23% | 0.226 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 162.9 | 167.5 | 54.5 | 179.7 | 170.5 | 162.4 | -4.9 | 110.7 | P493 M494 E496 F515 D521 | P493-R513 CarbonylContact C-O 3.59Å; P493-R513 VanDerWaalsContact CA-O 3.29Å; P493-R513 WeakPolarHBondContact CA-O 3.4Å; M494-R513 HydrophobicContact CE-CG 3.87Å; M494-R513 PolarHBondContact N-O 3.03Å; M494-R513 PolarHBondContact O-N 3.46Å; M494-R513 VanDerWaalsContact O-N 3.12Å; E496-R513 IonicContact OE1-CZ 3.78Å; E496-R513 IonicContact OE1-NE 2.69Å; E496-R513 PolarHBondContact OE1-NE 3.36Å; E496-R513 VanDerWaalsContact OE1-NE 3.12Å; E496-R513 IonicContact OE1-NH2 2.84Å; E496-R513 PolarHBondContact OE1-NH2 3.3Å; R513-F515 PolarHBondContact O-N 3.35Å; R513-D521 IonicContact CZ-OD1 2.77Å; R513-D521 IonicContact NH1-OD1 2.93Å; R513-D521 PolarHBondContact NH1-OD1 2.78Å |
| 514 | R | 89.5 | Confident | 78 | Confident | 22 Ų | 22 | 54.7 Ų | 54.7 | 8% | 0.083 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 133 | 173.2 | -176.9 | -171.8 | 177.5 | 168.2 | -7.1 | 109.3 | Y525 | R514-Y525 HydrophobicContact CB-CD1 4.48Å; R514-Y525 HydrophobicContact CB-CE1 3.89Å; R514-Y525 HydrophobicContact CG-CE1 3.77Å |
| 515 | F | 93.1 | Very high | 78.2 | Confident | 3 Ų | 3 | 48.1 Ų | 48.1 | 1% | 0.013 | 25% | 0.249 | C | C | . | . | trans | -84.5 | 134.6 | 170.3 | -177.9 | -100.5 | 0 | 0 | 0 | 110.7 | Y492 M494 R513 D517 A631 F632 A635 | Y492-F515 HydrophobicContact CD2-CB 4.16Å; Y492-F515 HydrophobicContact CE2-CB 3.73Å; Y492-F515 AromaticContact CE2-CD1 3.56Å; Y492-F515 HydrophobicContact CE2-CD1 3.56Å; Y492-F515 HydrophobicContact CE2-CE1 4.5Å; Y492-F515 AromaticContact CE2-CG 3.92Å; Y492-F515 HydrophobicContact CE2-CG 3.92Å; Y492-F515 AromaticContact CZ-CD1 3.58Å; Y492-F515 PolarHBondContact O-N 3.15Å; Y492-F515 WeakPolarHBondContact OH-CD1 3.38Å; Y492-F515 WeakPolarHBondContact OH-CE1 2.93Å; M494-F515 HydrophobicContact CB-CB 3.94Å; M494-F515 HydrophobicContact CB-CD2 4.12Å; M494-F515 HydrophobicContact CB-CG 4.46Å; M494-F515 HydrophobicContact SD-CD2 4.34Å; R513-F515 PolarHBondContact O-N 3.35Å; F515-D517 VanDerWaalsContact CE1-OD1 3.32Å; F515-D517 WeakPolarHBondContact CE1-OD1 3.26Å; F515-A631 HydrophobicContact CE1-CB 4.38Å; F515-A631 HydrophobicContact CZ-CB 3.86Å; F515-F632 HydrophobicContact CD2-CD1 4.24Å; F515-F632 AromaticContact CD2-CE1 3.91Å; F515-F632 HydrophobicContact CD2-CE1 3.91Å; F515-F632 AromaticContact CE2-CD1 3.67Å; F515-F632 HydrophobicContact CE2-CD1 3.67Å; F515-F632 AromaticContact CE2-CE1 3.75Å; F515-F632 HydrophobicContact CE2-CE1 3.75Å; F515-A635 HydrophobicContact CE2-CB 3.98Å; F515-A635 HydrophobicContact CZ-CB 4.14Å | ||
| 516 | L | 95.3 | Very high | 78.4 | Confident | 8 Ų | 8 | 42.6 Ų | 42.6 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | trans | -135.5 | 138.1 | 170.2 | -73.6 | 175.7 | 0 | 0 | 0 | 109.1 | S401 K403 A518 G519 S520 | S401-L516 WeakPolarHBondContact O-CA 3.41Å; S401-L516 VanDerWaalsContact O-CD2 3.25Å; S401-L516 WeakPolarHBondContact O-CD2 2.78Å; K403-L516 HydrophobicContact CG-CD1 4.36Å; K403-L516 HydrophobicContact CG-CD2 4.41Å; L516-A518 PolarHBondContact O-N 3.05Å; L516-A518 VanDerWaalsContact O-N 3.14Å; L516-G519 PolarHBondContact O-N 3.32Å; L516-S520 WeakPolarHBondContact CD1-O 3.32Å | ||
| 517 | D | 93.5 | Very high | 78.8 | Confident | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.011 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -22.8 | 176.7 | -90 | 2.2 | 0 | 0 | 0 | 112 | S401 F515 G519 R634 A635 L949 | S401-D517 WeakPolarHBondContact CB-OD1 2.99Å; S401-D517 PolarHBondContact O-N 2.97Å; S401-D517 PolarHBondContact OG-OD1 3Å; S401-D517 VanDerWaalsContact OG-OD1 3.08Å; S401-D517 PolarHBondContact OG-OD2 3.09Å; S401-D517 VanDerWaalsContact OG-OD2 3.09Å; F515-D517 VanDerWaalsContact CE1-OD1 3.32Å; F515-D517 WeakPolarHBondContact CE1-OD1 3.26Å; D517-G519 PolarHBondContact O-N 3.35Å; D517-R634 IonicContact OD2-CZ 3.99Å; D517-R634 IonicContact OD2-NH1 2.7Å; D517-R634 PolarHBondContact OD2-NH1 3.08Å; D517-R634 IonicContact OD2-NH2 2.99Å; D517-A635 VanDerWaalsContact O-CA 3.23Å; D517-A635 WeakPolarHBondContact O-CA 3.08Å; D517-L949 VanDerWaalsContact C-CD2 3.41Å; D517-L949 HydrophobicContact CB-CD1 3.56Å; D517-L949 HydrophobicContact CB-CD2 3.93Å; D517-L949 HydrophobicContact CB-CG 4.41Å; D517-L949 WeakPolarHBondContact O-CD2 3.26Å |
| 518 | A | 91.9 | Very high | 78.7 | Confident | 42 Ų | 42 | 40.3 Ų | 40.3 | 35% | 0.347 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -5.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L516 S520 L949 | L516-A518 PolarHBondContact O-N 3.05Å; L516-A518 VanDerWaalsContact O-N 3.14Å; A518-S520 PolarHBondContact O-N 2.82Å; A518-L949 HydrophobicContact CB-CD2 4.37Å |
| 519 | G | 88.3 | Confident | 78.4 | Confident | 25 Ų | 25 | 39.6 Ų | 39.6 | 26% | 0.258 | 22% | 0.215 | S | C | . | . | trans | 70.4 | -14 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | L516 D517 A635 | L516-G519 PolarHBondContact O-N 3.32Å; D517-G519 PolarHBondContact O-N 3.35Å; G519-A635 VanDerWaalsContact CA-O 3.28Å; G519-A635 WeakPolarHBondContact CA-O 3.18Å | ||
| 520 | S | 85.3 | Confident | 78.2 | Confident | 44 Ų | 44 | 37.8 Ų | 37.8 | 31% | 0.308 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -68 | 147.1 | 174.4 | 58.7 | 0 | 0 | 0 | 0 | 111.8 | K403 L516 A518 G522 | K403-S520 WeakPolarHBondContact CE-OG 2.89Å; K403-S520 PolarHBondContact NZ-OG 3.47Å; L516-S520 WeakPolarHBondContact CD1-O 3.32Å; A518-S520 PolarHBondContact O-N 2.82Å; S520-G522 PolarHBondContact O-N 3.21Å |
| 521 | D | 74.4 | Confident | 77.7 | Confident | 113 Ų | 113 | 37.1 Ų | 37.1 | 60% | 0.604 | 20% | 0.203 | S | C | * | . | trans | -67 | 133.9 | 167.5 | -63.2 | -42.1 | 0 | 0 | 0 | 110 | R513 | R513-D521 IonicContact CZ-OD1 2.77Å; R513-D521 IonicContact NH1-OD1 2.93Å; R513-D521 PolarHBondContact NH1-OD1 2.78Å | ||
| 522 | G | 69.9 | Low | 77.3 | Confident | 21 Ų | 21 | 32.5 Ų | 32.5 | 22% | 0.216 | 18% | 0.182 | C | C | . | . | trans | -93.4 | -174.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S520 Y524 | S520-G522 PolarHBondContact O-N 3.21Å; G522-Y524 PolarHBondContact O-N 3.44Å; G522-Y524 VanDerWaalsContact O-N 3.13Å | ||
| 523 | P | 70.8 | Confident | 76.8 | Confident | 94 Ų | 94 | 32.5 Ų | 32.5 | 61% | 0.61 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -49.7 | 124.1 | 171.6 | -23 | 31.4 | 0 | 0 | 0 | 110.1 | Y525 | P523-Y525 WeakPolarHBondContact O-CD1 3.35Å; P523-Y525 PolarHBondContact O-N 2.85Å |
| 524 | Y | 61.6 | Low | 76.2 | Confident | 114 Ų | 114 | 30.9 Ų | 30.9 | 45% | 0.447 | 18% | 0.178 | S | C | . | . | trans | -66.2 | 123.7 | -179.1 | -174.5 | -102.7 | 0 | 0 | 0 | 109.7 | G522 I526 K568 | G522-Y524 PolarHBondContact O-N 3.44Å; G522-Y524 VanDerWaalsContact O-N 3.13Å; Y524-I526 HydrophobicContact CE1-CD1 3.93Å; Y524-I526 HydrophobicContact CE1-CG1 3.87Å; Y524-I526 VanDerWaalsContact OH-CD1 3.25Å; Y524-I526 WeakPolarHBondContact OH-CD1 3.45Å; Y524-I526 WeakPolarHBondContact OH-CG1 3.44Å; Y524-K568 WeakPolarHBondContact OH-CE 3.43Å; Y524-K568 VanDerWaalsContact OH-CG 3.25Å; Y524-K568 WeakPolarHBondContact OH-CG 3.42Å | ||
| 525 | Y | 66.4 | Low | 75.2 | Confident | 29 Ų | 29 | 31 Ų | 31 | 11% | 0.114 | 18% | 0.179 | C | C | . | . | trans | -145.4 | 141.4 | 168.8 | 67.2 | -94.7 | 0 | 0 | 0 | 110.5 | M490 G491 Y492 R514 P523 V527 | M490-Y525 PolarHBondContact O-OH 3.03Å; G491-Y525 PolarHBondContact O-OH 3.33Å; Y492-Y525 WeakPolarHBondContact CA-OH 3.48Å; Y492-Y525 PolarHBondContact N-OH 2.78Å; Y492-Y525 VanDerWaalsContact N-OH 3.13Å; R514-Y525 HydrophobicContact CB-CD1 4.48Å; R514-Y525 HydrophobicContact CB-CE1 3.89Å; R514-Y525 HydrophobicContact CG-CE1 3.77Å; P523-Y525 WeakPolarHBondContact O-CD1 3.35Å; P523-Y525 PolarHBondContact O-N 2.85Å; Y525-V527 HydrophobicContact CD2-CG1 3.85Å; Y525-V527 HydrophobicContact CE2-CG1 3.88Å; Y525-V527 HydrophobicContact CE2-CG2 4.48Å | ||
| 526 | I | 63.8 | Low | 73.7 | Confident | 26 Ų | 26 | 31.2 Ų | 31.2 | 13% | 0.133 | 18% | 0.179 | C | C | . | . | trans | -101.4 | 131.5 | 169.5 | -59.7 | 166.3 | 0 | 0 | 0 | 107.9 | R489 Y524 P565 K566 W571 | R489-I526 PolarHBondContact NH1-O 3.07Å; Y524-I526 HydrophobicContact CE1-CD1 3.93Å; Y524-I526 HydrophobicContact CE1-CG1 3.87Å; Y524-I526 VanDerWaalsContact OH-CD1 3.25Å; Y524-I526 WeakPolarHBondContact OH-CD1 3.45Å; Y524-I526 WeakPolarHBondContact OH-CG1 3.44Å; I526-P565 WeakPolarHBondContact CG2-O 3.49Å; I526-K566 WeakPolarHBondContact CD1-O 3.49Å; I526-W571 HydrophobicContact CD1-CZ2 4.21Å; I526-W571 HydrophobicContact CG1-CZ2 4.37Å; I526-W571 HydrophobicContact CG2-CZ2 4.01Å | ||
| 527 | V | 70.7 | Confident | 71.8 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | trans | -112.1 | 138.5 | 166.1 | -72.1 | 0 | 0 | 0 | 0 | 108.3 | A485 W486 P493 Q512 Y525 S529 | A485-V527 HydrophobicContact CB-CG1 4.07Å; W486-V527 HydrophobicContact CH2-CG2 3.78Å; W486-V527 HydrophobicContact CZ2-CB 4.14Å; W486-V527 HydrophobicContact CZ2-CG2 3.58Å; W486-V527 HydrophobicContact CZ3-CG2 4.38Å; P493-V527 HydrophobicContact CG-CG2 3.66Å; Q512-V527 VanDerWaalsContact NE2-N 3.18Å; Q512-V527 PolarHBondContact NE2-O 3.12Å; Y525-V527 HydrophobicContact CD2-CG1 3.85Å; Y525-V527 HydrophobicContact CE2-CG1 3.88Å; Y525-V527 HydrophobicContact CE2-CG2 4.48Å; V527-S529 PolarHBondContact O-N 3.42Å; V527-S529 VanDerWaalsContact O-N 3.12Å; V527-S529 PolarHBondContact O-OG 3.35Å | ||
| 528 | S | 66.8 | Low | 69.8 | Low | 30 Ų | 30 | 35.5 Ų | 35.5 | 21% | 0.21 | 20% | 0.201 | C | C | . | . | trans | -64.3 | 114.5 | 169 | -175 | 0 | 0 | 0 | 0 | 107.7 | W486 | W486-S528 PolarHBondContact NE1-O 3.41Š| ||
| 529 | S | 67.5 | Low | 67.6 | Low | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -113.1 | 125.9 | -179.3 | -56.9 | 0 | 0 | 0 | 0 | 108.3 | V527 V531 C563 L564 | V527-S529 PolarHBondContact O-N 3.42Å; V527-S529 VanDerWaalsContact O-N 3.12Å; V527-S529 PolarHBondContact O-OG 3.35Å; S529-V531 PolarHBondContact O-N 2.5Å; S529-C563 WeakPolarHBondContact O-CA 3.42Å; S529-L564 PolarHBondContact O-N 3Å; S529-L564 VanDerWaalsContact O-N 3.14Å | ||
| 530 | R | 69.9 | Low | 65.7 | Low | 43 Ų | 43 | 41.7 Ų | 41.7 | 16% | 0.162 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 121.9 | 166 | 178.3 | -174.9 | 169.1 | 131 | 4.9 | 107.6 | A439 F440 D532 T561 Y596 | A439-R530 PolarHBondContact O-NH1 2.67Å; F440-R530 HydrophobicContact CD2-CB 4.09Å; F440-R530 HydrophobicContact CD2-CG 4.33Å; R530-D532 IonicContact CZ-OD1 3.63Å; R530-D532 IonicContact CZ-OD2 3.85Å; R530-D532 VanDerWaalsContact NE-CG 3.28Å; R530-D532 IonicContact NE-OD1 3.53Å; R530-D532 PolarHBondContact NE-OD1 3.09Å; R530-D532 IonicContact NE-OD2 3.13Å; R530-D532 PolarHBondContact NE-OD2 3.14Å; R530-D532 IonicContact NH2-OD1 2.71Å; R530-D532 PolarHBondContact NH2-OD1 3.16Å; R530-D532 IonicContact NH2-OD2 3.36Å; R530-D532 PolarHBondContact NH2-OD2 2.94Å; R530-T561 HydrophobicContact CG-CG2 3.85Å; R530-T561 PolarHBondContact NH2-OG1 2.89Å; R530-Y596 WeakPolarHBondContact O-CE1 3.36Å; R530-Y596 PolarHBondContact O-OH 3.08Å; R530-Y596 VanDerWaalsContact O-OH 3.07Å |
| 531 | V | 66.4 | Low | 63.7 | Low | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 109.1 | 176.9 | -176.7 | 0 | 0 | 0 | 0 | 108.7 | I495 S529 I533 T561 T562 L564 V588 Y596 | I495-V531 HydrophobicContact CD1-CG2 4.28Å; S529-V531 PolarHBondContact O-N 2.5Å; V531-I533 HydrophobicContact CG1-CD1 4.14Å; V531-I533 HydrophobicContact CG1-CG1 3.77Å; V531-T561 WeakPolarHBondContact O-CA 3.13Å; V531-T562 HydrophobicContact CB-CG2 3.96Å; V531-T562 HydrophobicContact CG1-CG2 4.49Å; V531-T562 PolarHBondContact N-O 3.33Å; V531-T562 PolarHBondContact O-N 3.32Å; V531-L564 HydrophobicContact CG2-CD1 3.84Å; V531-L564 HydrophobicContact CG2-CD2 4.47Å; V531-L564 HydrophobicContact CG2-CG 3.67Å; V531-V588 HydrophobicContact CG1-CG1 3.52Å; V531-Y596 WeakPolarHBondContact CA-OH 3.27Å |
| 532 | D | 72.9 | Confident | 62.7 | Low | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 121.2 | 172.4 | -64.5 | -47.4 | 0 | 0 | 0 | 109.3 | R530 P559 T561 N589 T590 T593 | R530-D532 IonicContact CZ-OD1 3.63Å; R530-D532 IonicContact CZ-OD2 3.85Å; R530-D532 VanDerWaalsContact NE-CG 3.28Å; R530-D532 IonicContact NE-OD1 3.53Å; R530-D532 PolarHBondContact NE-OD1 3.09Å; R530-D532 IonicContact NE-OD2 3.13Å; R530-D532 PolarHBondContact NE-OD2 3.14Å; R530-D532 IonicContact NH2-OD1 2.71Å; R530-D532 PolarHBondContact NH2-OD1 3.16Å; R530-D532 IonicContact NH2-OD2 3.36Å; R530-D532 PolarHBondContact NH2-OD2 2.94Å; D532-P559 HydrophobicContact CB-CB 4.2Å; D532-T561 WeakPolarHBondContact OD1-CB 3.03Å; D532-T561 VanDerWaalsContact OD1-CG2 3.32Å; D532-T561 WeakPolarHBondContact OD1-CG2 3.37Å; D532-T561 PolarHBondContact OD1-OG1 3.36Å; D532-N589 PolarHBondContact O-N 3.44Å; D532-T590 HydrophobicContact CB-CG2 3.56Å; D532-T590 PolarHBondContact O-N 3.37Å; D532-T593 PolarHBondContact OD2-OG1 3.46Å |
| 533 | I | 71 | Confident | 61.3 | Low | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 127.6 | -176.8 | -49.5 | 176.4 | 0 | 0 | 0 | 110.2 | F510 V531 F535 P559 L560 L573 A586 F587 V588 | F510-I533 HydrophobicContact CZ-CD1 3.78Å; V531-I533 HydrophobicContact CG1-CD1 4.14Å; V531-I533 HydrophobicContact CG1-CG1 3.77Å; I533-F535 HydrophobicContact CB-CE2 4.4Å; I533-F535 HydrophobicContact CG2-CD2 4.43Å; I533-F535 HydrophobicContact CG2-CE1 4.33Å; I533-F535 HydrophobicContact CG2-CE2 3.89Å; I533-F535 HydrophobicContact CG2-CZ 3.84Å; I533-P559 CarbonylContact O-C 3.4Å; I533-P559 WeakPolarHBondContact O-CA 3.38Å; I533-L560 HydrophobicContact CB-CB 4.42Å; I533-L560 PolarHBondContact N-O 2.83Å; I533-L560 PolarHBondContact O-N 3.46Å; I533-L573 HydrophobicContact CD1-CD2 4.28Å; I533-A586 HydrophobicContact CG2-CB 4.13Å; I533-F587 CarbonylContact C-O 2.73Å; I533-F587 VanDerWaalsContact CA-O 3.27Å; I533-F587 WeakPolarHBondContact CA-O 3.31Å; I533-V588 HydrophobicContact CG1-CG2 4.4Å |
| 534 | I | 71.7 | Confident | 59.9 | Low | 27 Ų | 27 | 50.9 Ų | 50.9 | 14% | 0.138 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 134.5 | 170.1 | -65.7 | -176.7 | 0 | 0 | 0 | 109.8 | F536 A555 P559 A586 F587 T590 | I534-F536 HydrophobicContact CB-CE2 4.35Å; I534-F536 HydrophobicContact CB-CZ 4.26Å; I534-F536 HydrophobicContact CG2-CD2 4.43Å; I534-F536 HydrophobicContact CG2-CE1 3.94Å; I534-F536 HydrophobicContact CG2-CE2 3.82Å; I534-F536 HydrophobicContact CG2-CZ 3.49Å; I534-F536 VanDerWaalsContact CG2-CZ 3.49Å; I534-A555 HydrophobicContact CG2-CB 3.56Å; I534-P559 HydrophobicContact CG1-CB 4Å; I534-A586 CarbonylContact O-C 3.46Å; I534-A586 WeakPolarHBondContact O-CA 3.33Å; I534-F587 PolarHBondContact N-O 2.99Å; I534-F587 PolarHBondContact O-N 3.31Å; I534-T590 HydrophobicContact CD1-CG2 3.8Å; I534-T590 WeakPolarHBondContact CD1-OG1 3.07Å; I534-T590 HydrophobicContact CG1-CG2 3.77Å |
| 535 | F | 68 | Low | 60.2 | Low | 24 Ų | 24 | 48.4 Ų | 48.4 | 11% | 0.105 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 122.8 | 172.1 | -62.3 | -86.3 | 0 | 0 | 0 | 110.4 | L508 I533 A555 L560 V577 V581 L585 A586 | L508-F535 HydrophobicContact CD1-CE1 4.28Å; L508-F535 HydrophobicContact CD1-CZ 4.49Å; I533-F535 HydrophobicContact CB-CE2 4.4Å; I533-F535 HydrophobicContact CG2-CD2 4.43Å; I533-F535 HydrophobicContact CG2-CE1 4.33Å; I533-F535 HydrophobicContact CG2-CE2 3.89Å; I533-F535 HydrophobicContact CG2-CZ 3.84Å; F535-A555 WeakPolarHBondContact O-CA 3.23Å; F535-L560 HydrophobicContact CE2-CB 4.17Å; F535-L560 HydrophobicContact CE2-CD2 4.03Å; F535-L560 HydrophobicContact CZ-CD2 4.44Å; F535-V577 HydrophobicContact CE1-CG1 4.23Å; F535-V577 HydrophobicContact CE2-CG1 4.02Å; F535-V577 HydrophobicContact CZ-CG1 3.78Å; F535-V581 HydrophobicContact CD1-CG1 3.71Å; F535-V581 HydrophobicContact CD1-CG2 3.94Å; F535-V581 HydrophobicContact CE1-CG1 4.08Å; F535-V581 HydrophobicContact CE1-CG2 4.2Å; F535-V581 HydrophobicContact CG-CG2 4.15Å; F535-L585 CarbonylContact C-O 3Å; F535-L585 WeakPolarHBondContact CA-O 3.37Å; F535-A586 HydrophobicContact CD1-CB 3.97Å; F535-A586 HydrophobicContact CE1-CB 3.85Å |
| 536 | F | 61.9 | Low | 59.6 | Low | 7 Ų | 7 | 55.3 Ų | 55.3 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 136.3 | 175.4 | -62.8 | -79.1 | 0 | 0 | 0 | 111 | I534 A555 R584 L585 F587 I616 L617 | I534-F536 HydrophobicContact CB-CE2 4.35Å; I534-F536 HydrophobicContact CB-CZ 4.26Å; I534-F536 HydrophobicContact CG2-CD2 4.43Å; I534-F536 HydrophobicContact CG2-CE1 3.94Å; I534-F536 HydrophobicContact CG2-CE2 3.82Å; I534-F536 HydrophobicContact CG2-CZ 3.49Å; I534-F536 VanDerWaalsContact CG2-CZ 3.49Å; F536-A555 HydrophobicContact CD1-CB 4.02Å; F536-A555 HydrophobicContact CE1-CB 3.91Å; F536-R584 WeakPolarHBondContact O-CA 3.43Å; F536-R584 WeakPolarHBondContact O-CB 3.37Å; F536-R584 WeakPolarHBondContact O-CG 3.24Å; F536-L585 HydrophobicContact CB-CB 4.41Å; F536-L585 HydrophobicContact CD2-CG 4.38Å; F536-L585 PolarHBondContact N-O 3.03Å; F536-L585 PolarHBondContact O-N 2.73Å; F536-F587 HydrophobicContact CE2-CB 3.78Å; F536-I616 HydrophobicContact CD1-CG2 3.7Å; F536-I616 HydrophobicContact CE1-CG2 3.59Å; F536-L617 HydrophobicContact CE1-CD2 4.23Å; F536-L617 HydrophobicContact CE2-CD2 3.5Å; F536-L617 HydrophobicContact CZ-CD2 3.26Å; F536-L617 HydrophobicContact CZ-CG 4.41Å |
| 537 | G | 56 | Low | 58.2 | Low | 7 Ų | 7 | 60.7 Ų | 60.7 | 7% | 0.072 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 172.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | T539 A553 | G537-T539 PolarHBondContact O-N 3.18Å; G537-A553 WeakPolarHBondContact CA-O 3.17Å; G537-A553 PolarHBondContact N-O 2.91Å; G537-A553 VanDerWaalsContact N-O 3.12Å |
| 538 | Q | 51.7 | Low | 56.4 | Low | 93 Ų | 93 | 67.6 Ų | 67.6 | 44% | 0.435 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 135.5 | 177.7 | -71.9 | -164.4 | -28.9 | 0 | 0 | 111.7 | A553 S583 | Q538-A553 PolarHBondContact O-N 2.93Å; Q538-A553 VanDerWaalsContact O-N 3.1Å; Q538-S583 VanDerWaalsContact CG-OG 3.23Å; Q538-S583 WeakPolarHBondContact CG-OG 3.19Å; Q538-S583 PolarHBondContact NE2-OG 3.37Å |
| 539 | T | 44.4 | Very low | 55.1 | Low | 73 Ų | 73 | 71.3 Ų | 71.3 | 45% | 0.448 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 118.9 | 166.3 | -4.4 | 0 | 0 | 0 | 0 | 108.6 | G537 L550 Y551 V552 | G537-T539 PolarHBondContact O-N 3.18Å; T539-L550 HydrophobicContact CG2-CD1 3.47Å; T539-L550 VanDerWaalsContact CG2-CD1 3.47Å; T539-L550 HydrophobicContact CG2-CD2 3.82Å; T539-L550 HydrophobicContact CG2-CG 3.61Å; T539-Y551 CarbonylContact C-O 3.59Å; T539-Y551 WeakPolarHBondContact CA-O 3.25Å; T539-V552 HydrophobicContact CG2-CB 4.16Å; T539-V552 HydrophobicContact CG2-CG1 4.2Å; T539-V552 HydrophobicContact CG2-CG2 3.42Å; T539-V552 VanDerWaalsContact CG2-CG2 3.42Å |
| 540 | K | 49.8 | Very low | 53.8 | Low | 125 Ų | 125 | 75.2 Ų | 75.2 | 54% | 0.543 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 128 | 172.1 | -78.3 | -172.9 | 175.9 | -177.8 | 0 | 109.4 | I542 Y551 | K540-I542 PolarHBondContact O-N 2.8Å; K540-Y551 HydrophobicContact CB-CD1 4.48Å; K540-Y551 PolarHBondContact N-O 3.22Å; K540-Y551 WeakPolarHBondContact O-CA 3.36Å; K540-Y551 WeakPolarHBondContact O-CB 3.04Å; K540-Y551 PolarHBondContact O-N 2.92Å |
| 541 | V | 43.5 | Very low | 52.4 | Low | 87 Ų | 87 | 78.9 Ų | 78.9 | 53% | 0.527 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 112.6 | 165.9 | -178.6 | 0 | 0 | 0 | 0 | 107.9 | Q548 F549 L550 | V541-Q548 HydrophobicContact CG1-CB 3.75Å; V541-Q548 HydrophobicContact CG1-CG 3.93Å; V541-F549 CarbonylContact C-O 3.25Å; V541-F549 WeakPolarHBondContact CA-O 3.05Å; V541-L550 HydrophobicContact CG2-CD1 3.8Å |
| 542 | I | 53.4 | Low | 51.4 | Low | 69 Ų | 69 | 80 Ų | 80 | 35% | 0.354 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 117.1 | 173.4 | -54.8 | -179.2 | 0 | 0 | 0 | 107.6 | K540 Y544 F549 Y551 | K540-I542 PolarHBondContact O-N 2.8Å; I542-Y544 HydrophobicContact CG2-CD2 3.91Å; I542-Y544 HydrophobicContact CG2-CE2 4.11Å; I542-F549 HydrophobicContact CB-CB 4.41Å; I542-F549 PolarHBondContact N-O 3.22Å; I542-F549 WeakPolarHBondContact O-CB 3.47Å; I542-F549 PolarHBondContact O-N 3.19Å; I542-Y551 HydrophobicContact CD1-CD2 4.42Å; I542-Y551 HydrophobicContact CD1-CG 4.1Å |
| 543 | Q | 40.2 | Very low | 50.4 | Low | 137 Ų | 137 | 81 Ų | 81 | 64% | 0.64 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 123.4 | 175.4 | -172.7 | 171.2 | -11.1 | 0 | 0 | 110.3 | G545 Y547 | Q543-G545 WeakPolarHBondContact CG-O 3.32Å; Q543-G545 PolarHBondContact NE2-O 3.1Å; Q543-G545 VanDerWaalsContact NE2-O 3.15Å; Q543-Y547 CarbonylContact C-O 3.55Å; Q543-Y547 WeakPolarHBondContact CA-O 3.34Å |
| 544 | Y | 39.9 | Very low | 49.2 | Very low | 171 Ų | 171 | 85.9 Ų | 85.9 | 67% | 0.671 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 97.2 | 172.1 | -105 | -82.6 | 0 | 0 | 0 | 108.5 | I542 K546 Y547 F549 | I542-Y544 HydrophobicContact CG2-CD2 3.91Å; I542-Y544 HydrophobicContact CG2-CE2 4.11Å; Y544-K546 PolarHBondContact O-N 2.91Å; Y544-Y547 PolarHBondContact N-O 3.49Å; Y544-Y547 PolarHBondContact O-N 3.3Å; Y544-Y547 VanDerWaalsContact O-N 3.09Å; Y544-F549 HydrophobicContact CD2-CD2 4.5Å |
| 545 | G | 68.8 | Low | 48.3 | Very low | 63 Ų | 63 | 86.3 Ų | 86.3 | 65% | 0.649 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62 | -122.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q543 Y547 | Q543-G545 WeakPolarHBondContact CG-O 3.32Å; Q543-G545 PolarHBondContact NE2-O 3.1Å; Q543-G545 VanDerWaalsContact NE2-O 3.15Å; G545-Y547 VanDerWaalsContact C-N 3.32Å |
| 546 | K | 54.6 | Low | 47.2 | Very low | 174 Ų | 174 | 93.3 Ų | 93.3 | 76% | 0.757 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -4.5 | 176.5 | 69.9 | 178.5 | -177.9 | 178.5 | 0 | 114.4 | Y544 | Y544-K546 PolarHBondContact O-N 2.91Š|
| 547 | Y | 33.8 | Very low | 46.8 | Very low | 138 Ų | 138 | 102.7 Ų | 102.7 | 54% | 0.541 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 133.6 | -175 | -58.3 | -73.2 | 0 | 0 | 0 | 110.9 | Q543 Y544 G545 | Q543-Y547 CarbonylContact C-O 3.55Å; Q543-Y547 WeakPolarHBondContact CA-O 3.34Å; Y544-Y547 PolarHBondContact N-O 3.49Å; Y544-Y547 PolarHBondContact O-N 3.3Å; Y544-Y547 VanDerWaalsContact O-N 3.09Å; G545-Y547 VanDerWaalsContact C-N 3.32Å |
| 548 | Q | 31.8 | Very low | 46.9 | Very low | 146 Ų | 146 | 106 Ų | 106 | 68% | 0.682 | 53% | 0.527 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 125 | 170.1 | -73.8 | -178.7 | -13.2 | 0 | 0 | 108.9 | V541 | V541-Q548 HydrophobicContact CG1-CB 3.75Å; V541-Q548 HydrophobicContact CG1-CG 3.93Å |
| 549 | F | 40 | Very low | 47.4 | Very low | 109 Ų | 109 | 104 Ų | 104 | 48% | 0.478 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 124.8 | 176.9 | -65.2 | -88.8 | 0 | 0 | 0 | 109.1 | V541 I542 Y544 Y551 | V541-F549 CarbonylContact C-O 3.25Å; V541-F549 WeakPolarHBondContact CA-O 3.05Å; I542-F549 HydrophobicContact CB-CB 4.41Å; I542-F549 PolarHBondContact N-O 3.22Å; I542-F549 WeakPolarHBondContact O-CB 3.47Å; I542-F549 PolarHBondContact O-N 3.19Å; Y544-F549 HydrophobicContact CD2-CD2 4.5Å; F549-Y551 PolarHBondContact O-N 3.26Å |
| 550 | L | 39.3 | Very low | 48.2 | Very low | 82 Ų | 82 | 103.4 Ų | 103.4 | 43% | 0.429 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 101.2 | 172.7 | -172.5 | 68.8 | 0 | 0 | 0 | 109.3 | T539 V541 V552 A610 | T539-L550 HydrophobicContact CG2-CD1 3.47Å; T539-L550 VanDerWaalsContact CG2-CD1 3.47Å; T539-L550 HydrophobicContact CG2-CD2 3.82Å; T539-L550 HydrophobicContact CG2-CG 3.61Å; V541-L550 HydrophobicContact CG2-CD1 3.8Å; L550-V552 HydrophobicContact CD2-CG2 4.37Å; L550-V552 HydrophobicContact CG-CG2 4.2Å; L550-A610 HydrophobicContact CD2-CB 4.25Å |
| 551 | Y | 40.7 | Very low | 48.7 | Very low | 120 Ų | 120 | 100.6 Ų | 100.6 | 47% | 0.471 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 127.1 | 167.4 | 176 | -97.4 | 0 | 0 | 0 | 109.4 | T539 K540 I542 F549 A553 | T539-Y551 CarbonylContact C-O 3.59Å; T539-Y551 WeakPolarHBondContact CA-O 3.25Å; K540-Y551 HydrophobicContact CB-CD1 4.48Å; K540-Y551 PolarHBondContact N-O 3.22Å; K540-Y551 WeakPolarHBondContact O-CA 3.36Å; K540-Y551 WeakPolarHBondContact O-CB 3.04Å; K540-Y551 PolarHBondContact O-N 2.92Å; I542-Y551 HydrophobicContact CD1-CD2 4.42Å; I542-Y551 HydrophobicContact CD1-CG 4.1Å; F549-Y551 PolarHBondContact O-N 3.26Å; Y551-A553 HydrophobicContact CE1-CB 3.95Å |
| 552 | V | 46.5 | Very low | 49.7 | Very low | 23 Ų | 23 | 98.4 Ų | 98.4 | 14% | 0.139 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 119.8 | 171.6 | -169.7 | 0 | 0 | 0 | 0 | 106.7 | T539 L550 I616 | T539-V552 HydrophobicContact CG2-CB 4.16Å; T539-V552 HydrophobicContact CG2-CG1 4.2Å; T539-V552 HydrophobicContact CG2-CG2 3.42Å; T539-V552 VanDerWaalsContact CG2-CG2 3.42Å; L550-V552 HydrophobicContact CD2-CG2 4.37Å; L550-V552 HydrophobicContact CG-CG2 4.2Å; V552-I616 HydrophobicContact CB-CD1 3.27Å; V552-I616 HydrophobicContact CG1-CD1 3.69Å; V552-I616 HydrophobicContact CG2-CD1 3.28Å |
| 553 | A | 51 | Low | 50.2 | Low | 24 Ų | 24 | 97.6 Ų | 97.6 | 20% | 0.198 | 50% | 0.496 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 139.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | G537 Q538 Y551 | G537-A553 WeakPolarHBondContact CA-O 3.17Å; G537-A553 PolarHBondContact N-O 2.91Å; G537-A553 VanDerWaalsContact N-O 3.12Å; Q538-A553 PolarHBondContact O-N 2.93Å; Q538-A553 VanDerWaalsContact O-N 3.1Å; Y551-A553 HydrophobicContact CE1-CB 3.95Å |
| 554 | P | 46.1 | Very low | 51.3 | Low | 105 Ų | 105 | 91.5 Ų | 91.5 | 68% | 0.682 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -53.1 | 145.8 | -176 | -22 | 28.4 | 0 | 0 | 0 | 112.4 | ||
| 555 | A | 52.3 | Low | 52 | Low | 35 Ų | 35 | 85.1 Ų | 85.1 | 29% | 0.289 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 148.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | I534 F535 F536 Q557 | I534-A555 HydrophobicContact CG2-CB 3.56Å; F535-A555 WeakPolarHBondContact O-CA 3.23Å; F536-A555 HydrophobicContact CD1-CB 4.02Å; F536-A555 HydrophobicContact CE1-CB 3.91Å; A555-Q557 PolarHBondContact O-N 3.21Å |
| 556 | W | 45.6 | Very low | 51.4 | Low | 172 Ų | 172 | 88.7 Ų | 88.7 | 65% | 0.652 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -52.6 | 139.5 | 167.5 | -108.7 | 71.8 | 0 | 0 | 0 | 110.3 | S558 | W556-S558 PolarHBondContact O-N 2.98Å; W556-S558 VanDerWaalsContact O-N 3.08Å |
| 557 | Q | 52.7 | Low | 51.3 | Low | 204 Ų | 204 | 82.9 Ų | 82.9 | 95% | 0.953 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -63.1 | -16.2 | -169.5 | -76.7 | 179.5 | -17.3 | 0 | 0 | 115.2 | A555 | A555-Q557 PolarHBondContact O-N 3.21Š|
| 558 | S | 58.7 | Low | 52.2 | Low | 77 Ų | 77 | 82.2 Ų | 82.2 | 54% | 0.538 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -135.2 | 139.6 | 172.8 | 51.4 | 0 | 0 | 0 | 0 | 110.7 | W556 | W556-S558 PolarHBondContact O-N 2.98Å; W556-S558 VanDerWaalsContact O-N 3.08Å |
| 559 | P | 62.3 | Low | 53 | Low | 50 Ų | 50 | 82.6 Ų | 82.6 | 33% | 0.325 | 43% | 0.433 | S | S | . | . | trans | -62.4 | 144.3 | 173.1 | 25.7 | -32.2 | 0 | 0 | 0 | 110.4 | D532 I533 I534 T561 T590 | D532-P559 HydrophobicContact CB-CB 4.2Å; I533-P559 CarbonylContact O-C 3.4Å; I533-P559 WeakPolarHBondContact O-CA 3.38Å; I534-P559 HydrophobicContact CG1-CB 4Å; P559-T561 PolarHBondContact O-N 3.09Å; P559-T590 HydrophobicContact CB-CG2 3.78Å; P559-T590 HydrophobicContact CG-CG2 4.2Å | ||
| 560 | L | 61.2 | Low | 53.5 | Low | 60 Ų | 60 | 82.8 Ų | 82.8 | 31% | 0.314 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 109.6 | 165.8 | 177.7 | 66.7 | 0 | 0 | 0 | 107.9 | I533 F535 L573 V577 | I533-L560 HydrophobicContact CB-CB 4.42Å; I533-L560 PolarHBondContact N-O 2.83Å; I533-L560 PolarHBondContact O-N 3.46Å; F535-L560 HydrophobicContact CE2-CB 4.17Å; F535-L560 HydrophobicContact CE2-CD2 4.03Å; F535-L560 HydrophobicContact CZ-CD2 4.44Å; L560-L573 HydrophobicContact CD2-CD2 3.89Å; L560-V577 HydrophobicContact CD2-CG2 4.33Å |
| 561 | T | 61 | Low | 54.1 | Low | 66 Ų | 66 | 80.1 Ų | 80.1 | 41% | 0.405 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 121.7 | 173.8 | -57.9 | 0 | 0 | 0 | 0 | 109.8 | R530 V531 D532 P559 | R530-T561 HydrophobicContact CG-CG2 3.85Å; R530-T561 PolarHBondContact NH2-OG1 2.89Å; V531-T561 WeakPolarHBondContact O-CA 3.13Å; D532-T561 WeakPolarHBondContact OD1-CB 3.03Å; D532-T561 VanDerWaalsContact OD1-CG2 3.32Å; D532-T561 WeakPolarHBondContact OD1-CG2 3.37Å; D532-T561 PolarHBondContact OD1-OG1 3.36Å; P559-T561 PolarHBondContact O-N 3.09Å |
| 562 | T | 64.4 | Low | 54.4 | Low | 41 Ų | 41 | 77.5 Ų | 77.5 | 25% | 0.252 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 168.2 | 170.6 | -170.3 | 0 | 0 | 0 | 0 | 110.8 | V531 | V531-T562 HydrophobicContact CB-CG2 3.96Å; V531-T562 HydrophobicContact CG1-CG2 4.49Å; V531-T562 PolarHBondContact N-O 3.33Å; V531-T562 PolarHBondContact O-N 3.32Å |
| 563 | C | 63.2 | Low | 54.5 | Low | 53 Ų | 53 | 78.2 Ų | 78.2 | 36% | 0.358 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 130.9 | 168.9 | -67.3 | 0 | 0 | 0 | 0 | 108.5 | S529 | S529-C563 WeakPolarHBondContact O-CA 3.42Å |
| 564 | L | 63.3 | Low | 54.1 | Low | 9 Ų | 9 | 82.3 Ų | 82.3 | 5% | 0.047 | 45% | 0.448 | C | S | . | . | trans | -65.7 | 134.5 | 172.7 | -71.9 | 172.2 | 0 | 0 | 0 | 110.3 | I495 F510 S529 V531 W571 | I495-L564 HydrophobicContact CD1-CD1 3.44Å; I495-L564 VanDerWaalsContact CD1-CD1 3.44Å; I495-L564 HydrophobicContact CG1-CD1 3.87Å; I495-L564 HydrophobicContact CG2-CD1 4.23Å; F510-L564 HydrophobicContact CB-CD2 3.8Å; F510-L564 HydrophobicContact CD1-CD2 4.4Å; F510-L564 HydrophobicContact CD2-CD2 4.29Å; F510-L564 HydrophobicContact CG-CD2 3.9Å; S529-L564 PolarHBondContact O-N 3Å; S529-L564 VanDerWaalsContact O-N 3.14Å; V531-L564 HydrophobicContact CG2-CD1 3.84Å; V531-L564 HydrophobicContact CG2-CD2 4.47Å; V531-L564 HydrophobicContact CG2-CG 3.67Å; L564-W571 HydrophobicContact CB-CH2 4.03Å; L564-W571 HydrophobicContact CB-CZ3 4.38Å; L564-W571 HydrophobicContact CD1-CH2 3.94Å; L564-W571 HydrophobicContact CD1-CZ3 3.77Å; L564-W571 HydrophobicContact CD2-CE3 4.2Å; L564-W571 HydrophobicContact CD2-CH2 4.47Å; L564-W571 HydrophobicContact CD2-CZ3 3.97Å; L564-W571 HydrophobicContact CG-CH2 4.37Å; L564-W571 HydrophobicContact CG-CZ3 4.26Å | ||
| 565 | P | 55.1 | Low | 53.7 | Low | 36 Ų | 36 | 78.7 Ų | 78.7 | 23% | 0.234 | 43% | 0.425 | C | S | . | . | trans | -67.4 | 156.1 | -179 | 24.7 | -30 | 0 | 0 | 0 | 112 | I526 S567 D570 W571 | I526-P565 WeakPolarHBondContact CG2-O 3.49Å; P565-S567 VanDerWaalsContact C-N 3.32Å; P565-S567 PolarHBondContact O-N 3.28Å; P565-D570 HydrophobicContact CB-CB 3.77Å; P565-D570 HydrophobicContact CG-CB 3.63Å; P565-D570 WeakPolarHBondContact CG-O 3.14Å; P565-W571 HydrophobicContact CG-CG 4.43Å; P565-W571 WeakPolarHBondContact O-CZ2 3.48Å | ||
| 566 | K | 55.4 | Low | 52.9 | Low | 139 Ų | 139 | 82.9 Ų | 82.9 | 60% | 0.604 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -77.4 | -8.7 | -178.3 | -73.1 | -177.6 | -179.4 | 175.8 | 0 | 114.5 | I526 | I526-K566 WeakPolarHBondContact CD1-O 3.49Š|
| 567 | S | 53.6 | Low | 52.6 | Low | 51 Ų | 51 | 76.3 Ų | 76.3 | 36% | 0.357 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -125.7 | 142 | -176.6 | 54.7 | 0 | 0 | 0 | 0 | 110.7 | P565 D569 W571 | P565-S567 VanDerWaalsContact C-N 3.32Å; P565-S567 PolarHBondContact O-N 3.28Å; S567-D569 PolarHBondContact O-N 2.89Å; S567-D569 VanDerWaalsContact O-N 3.08Å; S567-W571 VanDerWaalsContact C-NE1 3.29Å; S567-W571 PolarHBondContact O-NE1 3.48Å |
| 568 | K | 51.3 | Low | 51.8 | Low | 125 Ų | 125 | 68 Ų | 68 | 54% | 0.543 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -55.4 | -23.9 | 179.5 | -76.9 | -168.4 | 174.7 | -167.5 | 0 | 114.3 | Y524 D570 W571 | Y524-K568 WeakPolarHBondContact OH-CE 3.43Å; Y524-K568 VanDerWaalsContact OH-CG 3.25Å; Y524-K568 WeakPolarHBondContact OH-CG 3.42Å; K568-D570 VanDerWaalsContact C-N 3.33Å; K568-D570 PolarHBondContact O-N 3.3Å; K568-W571 VanDerWaalsContact CA-CD1 3.42Å |
| 569 | D | 48.8 | Very low | 50.8 | Low | 153 Ų | 153 | 72.9 Ų | 72.9 | 82% | 0.818 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -76.9 | -12.7 | -169.9 | -54.3 | -46.4 | 0 | 0 | 0 | 114.5 | S567 | S567-D569 PolarHBondContact O-N 2.89Å; S567-D569 VanDerWaalsContact O-N 3.08Å |
| 570 | D | 50.6 | Low | 49.6 | Very low | 113 Ų | 113 | 74.2 Ų | 74.2 | 60% | 0.604 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -109.1 | 17.6 | -176 | -90.7 | -25 | 0 | 0 | 0 | 114.8 | P565 K568 S572 | P565-D570 HydrophobicContact CB-CB 3.77Å; P565-D570 HydrophobicContact CG-CB 3.63Å; P565-D570 WeakPolarHBondContact CG-O 3.14Å; K568-D570 VanDerWaalsContact C-N 3.33Å; K568-D570 PolarHBondContact O-N 3.3Å; D570-S572 VanDerWaalsContact C-N 3.33Å; D570-S572 PolarHBondContact O-N 2.92Å |
| 571 | W | 52.5 | Low | 48.7 | Very low | 26 Ų | 26 | 72 Ų | 72 | 10% | 0.098 | 40% | 0.395 | C | S | . | . | trans | -84.1 | 11.7 | -163.6 | -74.6 | 58.6 | 0 | 0 | 0 | 116.9 | F510 Q512 I526 L564 P565 S567 K568 | F510-W571 HydrophobicContact CB-CE3 3.76Å; F510-W571 HydrophobicContact CB-CZ3 4.17Å; F510-W571 VanDerWaalsContact O-CE3 3.24Å; Q512-W571 HydrophobicContact CB-CE3 4.49Å; Q512-W571 HydrophobicContact CB-CH2 3.02Å; Q512-W571 HydrophobicContact CB-CZ2 4.01Å; Q512-W571 HydrophobicContact CB-CZ3 3.3Å; Q512-W571 HydrophobicContact CG-CH2 4.05Å; Q512-W571 VanDerWaalsContact N-CZ3 3.31Å; I526-W571 HydrophobicContact CD1-CZ2 4.21Å; I526-W571 HydrophobicContact CG1-CZ2 4.37Å; I526-W571 HydrophobicContact CG2-CZ2 4.01Å; L564-W571 HydrophobicContact CB-CH2 4.03Å; L564-W571 HydrophobicContact CB-CZ3 4.38Å; L564-W571 HydrophobicContact CD1-CH2 3.94Å; L564-W571 HydrophobicContact CD1-CZ3 3.77Å; L564-W571 HydrophobicContact CD2-CE3 4.2Å; L564-W571 HydrophobicContact CD2-CH2 4.47Å; L564-W571 HydrophobicContact CD2-CZ3 3.97Å; L564-W571 HydrophobicContact CG-CH2 4.37Å; L564-W571 HydrophobicContact CG-CZ3 4.26Å; P565-W571 HydrophobicContact CG-CG 4.43Å; P565-W571 WeakPolarHBondContact O-CZ2 3.48Å; S567-W571 VanDerWaalsContact C-NE1 3.29Å; S567-W571 PolarHBondContact O-NE1 3.48Å; K568-W571 VanDerWaalsContact CA-CD1 3.42Å | ||
| 572 | S | 47.3 | Very low | 48.1 | Very low | 65 Ų | 65 | 71.2 Ų | 71.2 | 46% | 0.455 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 112.4 | 170.6 | 62.2 | 0 | 0 | 0 | 0 | 110.7 | D570 T574 | D570-S572 VanDerWaalsContact C-N 3.33Å; D570-S572 PolarHBondContact O-N 2.92Å; S572-T574 PolarHBondContact O-N 2.95Å |
| 573 | L | 48.5 | Very low | 47.4 | Very low | 39 Ų | 39 | 71.9 Ų | 71.9 | 20% | 0.204 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 80.6 | 160.4 | -167.7 | 81.5 | 0 | 0 | 0 | 108.1 | F510 I533 L560 S575 | F510-L573 HydrophobicContact CE2-CB 4.03Å; I533-L573 HydrophobicContact CD1-CD2 4.28Å; L560-L573 HydrophobicContact CD2-CD2 3.89Å; L573-S575 PolarHBondContact O-N 3.43Å; L573-S575 VanDerWaalsContact O-N 3.08Å |
| 574 | T | 41.4 | Very low | 47.3 | Very low | 109 Ų | 109 | 73 Ų | 73 | 67% | 0.669 | 40% | 0.403 | S | S | * | . | trans | -80.2 | 58.7 | 159.9 | 47.6 | 0 | 0 | 0 | 0 | 108.6 | S572 D576 | S572-T574 PolarHBondContact O-N 2.95Å; T574-D576 PolarHBondContact O-N 2.95Å | ||
| 575 | S | 38.2 | Very low | 47.5 | Very low | 30 Ų | 30 | 73.3 Ų | 73.3 | 21% | 0.21 | 41% | 0.405 | C | S | . | . | trans | -65.6 | 137.1 | 168.1 | 50.8 | 0 | 0 | 0 | 0 | 108 | L573 V577 A578 | L573-S575 PolarHBondContact O-N 3.43Å; L573-S575 VanDerWaalsContact O-N 3.08Å; S575-V577 VanDerWaalsContact CB-CG2 3.44Å; S575-V577 PolarHBondContact O-N 2.7Å; S575-V577 WeakPolarHBondContact OG-CB 3.34Å; S575-V577 VanDerWaalsContact OG-CG2 3.24Å; S575-V577 WeakPolarHBondContact OG-CG2 3.35Å; S575-A578 PolarHBondContact O-N 3.2Å | ||
| 576 | D | 35.7 | Very low | 48.4 | Very low | 122 Ų | 122 | 71.9 Ų | 71.9 | 65% | 0.652 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -4.2 | 169.5 | -95.6 | -46.2 | 0 | 0 | 0 | 113.4 | T574 A578 K579 | T574-D576 PolarHBondContact O-N 2.95Å; D576-A578 PolarHBondContact O-N 3Å; D576-A578 VanDerWaalsContact O-N 3.13Å; D576-K579 WeakPolarHBondContact O-CB 3.38Å; D576-K579 PolarHBondContact O-N 3.22Å; D576-K579 IonicContact OD1-NZ 3.61Å |
| 577 | V | 40.2 | Very low | 49.7 | Very low | 35 Ų | 35 | 65.3 Ų | 65.3 | 21% | 0.212 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -44.5 | -28.3 | 156.6 | 175.7 | 0 | 0 | 0 | 0 | 112.5 | F535 L560 S575 K579 T580 V581 | F535-V577 HydrophobicContact CE1-CG1 4.23Å; F535-V577 HydrophobicContact CE2-CG1 4.02Å; F535-V577 HydrophobicContact CZ-CG1 3.78Å; L560-V577 HydrophobicContact CD2-CG2 4.33Å; S575-V577 VanDerWaalsContact CB-CG2 3.44Å; S575-V577 PolarHBondContact O-N 2.7Å; S575-V577 WeakPolarHBondContact OG-CB 3.34Å; S575-V577 VanDerWaalsContact OG-CG2 3.24Å; S575-V577 WeakPolarHBondContact OG-CG2 3.35Å; V577-K579 PolarHBondContact O-N 3.42Å; V577-T580 CarbonylContact O-C 3.29Å; V577-T580 PolarHBondContact O-N 3.14Å; V577-V581 HydrophobicContact CB-CG2 4.31Å; V577-V581 HydrophobicContact CG1-CB 4.1Å; V577-V581 HydrophobicContact CG1-CG2 3.11Å; V577-V581 VanDerWaalsContact O-CB 3.24Å; V577-V581 WeakPolarHBondContact O-CB 3.15Å; V577-V581 VanDerWaalsContact O-CG2 3.26Å; V577-V581 WeakPolarHBondContact O-CG2 3.18Å; V577-V581 PolarHBondContact O-N 3.3Å |
| 578 | A | 36.3 | Very low | 51.2 | Low | 28 Ų | 28 | 62.9 Ų | 62.9 | 23% | 0.231 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -55.2 | -31.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S575 D576 | S575-A578 PolarHBondContact O-N 3.2Å; D576-A578 PolarHBondContact O-N 3Å; D576-A578 VanDerWaalsContact O-N 3.13Å |
| 579 | K | 35.6 | Very low | 53 | Low | 181 Ų | 181 | 56.9 Ų | 56.9 | 79% | 0.787 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -77.8 | -23.9 | 173.8 | -69.2 | 178.3 | 179.8 | 164.7 | 0 | 113.1 | D576 V577 | D576-K579 WeakPolarHBondContact O-CB 3.38Å; D576-K579 PolarHBondContact O-N 3.22Å; D576-K579 IonicContact OD1-NZ 3.61Å; V577-K579 PolarHBondContact O-N 3.42Å |
| 580 | T | 39 | Very low | 54.9 | Low | 77 Ų | 77 | 49.8 Ų | 49.8 | 47% | 0.472 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -99.8 | -18.2 | -174.4 | -22.2 | 0 | 0 | 0 | 0 | 113.5 | V577 R584 | V577-T580 CarbonylContact O-C 3.29Å; V577-T580 PolarHBondContact O-N 3.14Å; T580-R584 PolarHBondContact O-NH1 3.3Å; T580-R584 PolarHBondContact O-NH2 2.86Å |
| 581 | V | 41.5 | Very low | 56.7 | Low | 13 Ų | 13 | 48 Ų | 48 | 8% | 0.079 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -95.2 | -24.5 | -164.9 | 169.1 | 0 | 0 | 0 | 0 | 115.2 | F535 V577 R584 | F535-V581 HydrophobicContact CD1-CG1 3.71Å; F535-V581 HydrophobicContact CD1-CG2 3.94Å; F535-V581 HydrophobicContact CE1-CG1 4.08Å; F535-V581 HydrophobicContact CE1-CG2 4.2Å; F535-V581 HydrophobicContact CG-CG2 4.15Å; V577-V581 HydrophobicContact CB-CG2 4.31Å; V577-V581 HydrophobicContact CG1-CB 4.1Å; V577-V581 HydrophobicContact CG1-CG2 3.11Å; V577-V581 VanDerWaalsContact O-CB 3.24Å; V577-V581 WeakPolarHBondContact O-CB 3.15Å; V577-V581 VanDerWaalsContact O-CG2 3.26Å; V577-V581 WeakPolarHBondContact O-CG2 3.18Å; V577-V581 PolarHBondContact O-N 3.3Å; V581-R584 HydrophobicContact CG1-CB 3.76Å; V581-R584 WeakPolarHBondContact O-CB 3.41Å; V581-R584 WeakPolarHBondContact O-CD 3.48Å; V581-R584 WeakPolarHBondContact O-CG 3.29Å; V581-R584 PolarHBondContact O-N 3.41Å; V581-R584 PolarHBondContact O-NE 3.38Å |
| 582 | G | 47.5 | Very low | 58.5 | Low | 50 Ų | 50 | 46.8 Ų | 46.8 | 52% | 0.515 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | -146.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | R506 R584 | R506-G582 WeakPolarHBondContact CD-O 3.35Å; G582-R584 PolarHBondContact O-N 2.91Å |
| 583 | S | 49.6 | Very low | 60.5 | Low | 55 Ų | 55 | 44.6 Ų | 44.6 | 39% | 0.385 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 34.8 | -177.7 | 75.9 | 0 | 0 | 0 | 0 | 115.4 | R506 Q538 | R506-S583 VanDerWaalsContact NH1-C 3.29Å; Q538-S583 VanDerWaalsContact CG-OG 3.23Å; Q538-S583 WeakPolarHBondContact CG-OG 3.19Å; Q538-S583 PolarHBondContact NE2-OG 3.37Å |
| 584 | R | 61.8 | Low | 62.4 | Low | 77 Ų | 77 | 42.8 Ų | 42.8 | 29% | 0.291 | 25% | 0.247 | S | C | . | . | trans | -90.2 | 148.3 | -171.4 | -70.1 | -179.8 | -161.3 | 155.6 | 9.4 | 112.8 | R506 F536 T580 V581 G582 | R506-R584 PolarHBondContact NH1-O 3.19Å; F536-R584 WeakPolarHBondContact O-CA 3.43Å; F536-R584 WeakPolarHBondContact O-CB 3.37Å; F536-R584 WeakPolarHBondContact O-CG 3.24Å; T580-R584 PolarHBondContact O-NH1 3.3Å; T580-R584 PolarHBondContact O-NH2 2.86Å; V581-R584 HydrophobicContact CG1-CB 3.76Å; V581-R584 WeakPolarHBondContact O-CB 3.41Å; V581-R584 WeakPolarHBondContact O-CD 3.48Å; V581-R584 WeakPolarHBondContact O-CG 3.29Å; V581-R584 PolarHBondContact O-N 3.41Å; V581-R584 PolarHBondContact O-NE 3.38Å; G582-R584 PolarHBondContact O-N 2.91Å | ||
| 585 | L | 68 | Low | 64.9 | Low | 15 Ų | 15 | 37.6 Ų | 37.6 | 8% | 0.079 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 135.7 | 178.9 | 172.3 | 59.4 | 0 | 0 | 0 | 110.3 | F535 F536 M607 L608 P611 | F535-L585 CarbonylContact C-O 3Å; F535-L585 WeakPolarHBondContact CA-O 3.37Å; F536-L585 HydrophobicContact CB-CB 4.41Å; F536-L585 HydrophobicContact CD2-CG 4.38Å; F536-L585 PolarHBondContact N-O 3.03Å; F536-L585 PolarHBondContact O-N 2.73Å; L585-M607 HydrophobicContact CB-CE 4.16Å; L585-M607 HydrophobicContact CD1-CB 3.53Å; L585-M607 HydrophobicContact CD1-CE 4.16Å; L585-M607 HydrophobicContact CD1-SD 4.41Å; L585-M607 HydrophobicContact CD2-CB 4.31Å; L585-M607 VanDerWaalsContact CD2-O 3.26Å; L585-M607 WeakPolarHBondContact CD2-O 3.33Å; L585-M607 HydrophobicContact CG-CB 4.46Å; L585-L608 HydrophobicContact CD1-CD2 4.12Å; L585-L608 HydrophobicContact CD1-CG 4.34Å; L585-L608 HydrophobicContact CD2-CD2 4.16Å; L585-L608 HydrophobicContact CG-CD2 4.3Å; L585-P611 HydrophobicContact CD2-CG 3.53Å |
| 586 | A | 73 | Confident | 67.5 | Low | 7 Ų | 7 | 36.2 Ų | 36.2 | 6% | 0.058 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 132.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L508 I533 I534 F535 | L508-A586 HydrophobicContact CD1-CB 3.62Å; L508-A586 HydrophobicContact CD2-CB 4.32Å; I533-A586 HydrophobicContact CG2-CB 4.13Å; I534-A586 CarbonylContact O-C 3.46Å; I534-A586 WeakPolarHBondContact O-CA 3.33Å; F535-A586 HydrophobicContact CD1-CB 3.97Å; F535-A586 HydrophobicContact CE1-CB 3.85Å |
| 587 | F | 83.2 | Confident | 70.3 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 130 | 170.2 | 178.7 | -105.2 | 0 | 0 | 0 | 109.6 | I533 I534 F536 Y600 L608 L617 D621 N624 V625 | I533-F587 CarbonylContact C-O 2.73Å; I533-F587 VanDerWaalsContact CA-O 3.27Å; I533-F587 WeakPolarHBondContact CA-O 3.31Å; I534-F587 PolarHBondContact N-O 2.99Å; I534-F587 PolarHBondContact O-N 3.31Å; F536-F587 HydrophobicContact CE2-CB 3.78Å; F587-Y600 VanDerWaalsContact CD2-OH 3.3Å; F587-Y600 WeakPolarHBondContact CD2-OH 3.34Å; F587-L608 HydrophobicContact CB-CD2 4.45Å; F587-L608 HydrophobicContact CD2-CD2 3.96Å; F587-L617 HydrophobicContact CB-CD2 4.23Å; F587-L617 HydrophobicContact CD1-CD2 4.23Å; F587-L617 HydrophobicContact CD2-CD1 4.37Å; F587-L617 HydrophobicContact CD2-CD2 4.4Å; F587-L617 HydrophobicContact CG-CD2 4.01Å; F587-D621 HydrophobicContact CD1-CB 4.29Å; F587-D621 HydrophobicContact CE1-CB 3.51Å; F587-D621 WeakPolarHBondContact CE1-OD1 3.1Å; F587-D621 HydrophobicContact CE2-CB 4.48Å; F587-D621 HydrophobicContact CZ-CB 3.63Å; F587-N624 HydrophobicContact CZ-CB 4.42Å; F587-V625 HydrophobicContact CD2-CG2 4.24Å; F587-V625 HydrophobicContact CE2-CG2 3.44Å; F587-V625 VanDerWaalsContact CE2-CG2 3.44Å; F587-V625 HydrophobicContact CZ-CG2 4.28Å |
| 588 | V | 85.7 | Confident | 72.8 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 142.8 | -174 | -178.9 | 0 | 0 | 0 | 0 | 109.7 | V497 F510 V531 I533 V598 Y600 | V497-V588 HydrophobicContact CG1-CG2 4.42Å; V497-V588 HydrophobicContact CG2-CG2 4.2Å; F510-V588 HydrophobicContact CE1-CG1 4.36Å; F510-V588 HydrophobicContact CE1-CG2 4.15Å; V531-V588 HydrophobicContact CG1-CG1 3.52Å; I533-V588 HydrophobicContact CG1-CG2 4.4Å; V588-V598 HydrophobicContact CB-CG1 4.03Å; V588-V598 HydrophobicContact CB-CG2 4.23Å; V588-V598 HydrophobicContact CG1-CG1 4.29Å; V588-V598 HydrophobicContact CG1-CG2 3.96Å; V588-Y600 HydrophobicContact CG2-CE1 4.34Å; V588-Y600 PolarHBondContact N-OH 2.81Å; V588-Y600 PolarHBondContact O-OH 3Å |
| 589 | N | 89.2 | Confident | 75.5 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | S | Bend | trans | 68.2 | 49.6 | -176.3 | -161.2 | 13.6 | 0 | 0 | 0 | 113.3 | D532 C592 T593 G594 Y596 V598 | D532-N589 PolarHBondContact O-N 3.44Å; N589-C592 PolarHBondContact O-N 3.18Å; N589-C592 VanDerWaalsContact O-N 3.08Å; N589-T593 PolarHBondContact OD1-N 3.47Å; N589-G594 PolarHBondContact ND2-O 3.14Å; N589-G594 WeakPolarHBondContact OD1-CA 3.47Å; N589-G594 PolarHBondContact OD1-N 2.91Å; N589-Y596 HydrophobicContact CB-CE2 3.64Å; N589-V598 HydrophobicContact CB-CG2 4.02Å |
| 590 | T | 88.3 | Confident | 78.3 | Confident | 3 Ų | 3 | 21.7 Ų | 21.7 | 2% | 0.018 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -58.9 | 139.7 | 176.1 | -173.2 | 0 | 0 | 0 | 0 | 113.6 | D532 I534 P559 C592 T593 D621 | D532-T590 HydrophobicContact CB-CG2 3.56Å; D532-T590 PolarHBondContact O-N 3.37Å; I534-T590 HydrophobicContact CD1-CG2 3.8Å; I534-T590 WeakPolarHBondContact CD1-OG1 3.07Å; I534-T590 HydrophobicContact CG1-CG2 3.77Å; P559-T590 HydrophobicContact CB-CG2 3.78Å; P559-T590 HydrophobicContact CG-CG2 4.2Å; T590-C592 PolarHBondContact O-N 2.86Å; T590-T593 PolarHBondContact O-OG1 3.01Å; T590-D621 WeakPolarHBondContact CA-OD1 3.33Å; T590-D621 PolarHBondContact OG1-OD1 3.19Å; T590-D621 PolarHBondContact OG1-OD2 3Å |
| 591 | N | 88.4 | Confident | 80.7 | Confident | 77 Ų | 77 | 19.4 Ų | 19.4 | 41% | 0.412 | 12% | 0.115 | S | C | . | . | G | 310 helix | trans | 59 | 18.7 | -172 | -58.9 | -54.6 | 0 | 0 | 0 | 113.9 | R435 T593 V620 D621 | R435-N591 PolarHBondContact NH1-O 2.88Å; R435-N591 PolarHBondContact NH2-O 3.36Å; N591-T593 HydrophobicContact CB-CG2 4.16Å; N591-T593 PolarHBondContact O-N 2.94Å; N591-T593 VanDerWaalsContact O-N 3.12Å; N591-V620 VanDerWaalsContact C-CG1 3.49Å; N591-D621 PolarHBondContact N-OD1 3.47Å |
| 592 | C | 89.9 | Confident | 83 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | 50.3 | 36.4 | -177.5 | -58.8 | 0 | 0 | 0 | 0 | 112.8 | V389 M393 R435 N589 T590 G594 V620 N624 | V389-C592 HydrophobicContact CG1-CB 3.92Å; M393-C592 HydrophobicContact CE-CB 3.94Å; M393-C592 HydrophobicContact SD-CB 3.82Å; R435-C592 PolarHBondContact NH1-O 2.98Å; N589-C592 PolarHBondContact O-N 3.18Å; N589-C592 VanDerWaalsContact O-N 3.08Å; T590-C592 PolarHBondContact O-N 2.86Å; C592-G594 VanDerWaalsContact C-N 3.29Å; C592-G594 PolarHBondContact O-N 3.27Å; C592-V620 HydrophobicContact CB-CG1 3.82Å; C592-V620 WeakPolarHBondContact SG-CG1 3.36Å; C592-V620 PolarHBondContact SG-O 3.26Å; C592-V620 VanDerWaalsContact SG-O 3.4Å; C592-N624 WeakPolarHBondContact SG-CB 3.48Å |
| 593 | T | 88.4 | Confident | 84.8 | Confident | 18 Ų | 18 | 24.8 Ų | 24.8 | 11% | 0.11 | 14% | 0.141 | C | C | . | . | trans | -69.4 | -31.2 | -176.6 | 52.3 | 0 | 0 | 0 | 0 | 111.5 | M436 A439 D532 N589 T590 N591 | M436-T593 VanDerWaalsContact CA-O 3.29Å; M436-T593 WeakPolarHBondContact CA-O 3.41Å; M436-T593 WeakPolarHBondContact CB-O 3.45Å; M436-T593 VanDerWaalsContact CG-O 3.23Å; M436-T593 WeakPolarHBondContact CG-O 3.42Å; A439-T593 HydrophobicContact CB-CG2 4.03Å; D532-T593 PolarHBondContact OD2-OG1 3.46Å; N589-T593 PolarHBondContact OD1-N 3.47Å; T590-T593 PolarHBondContact O-OG1 3.01Å; N591-T593 HydrophobicContact CB-CG2 4.16Å; N591-T593 PolarHBondContact O-N 2.94Å; N591-T593 VanDerWaalsContact O-N 3.12Å | ||
| 594 | G | 89.3 | Confident | 86.6 | Confident | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -85.5 | 136.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | M393 N589 C592 Y596 | M393-G594 WeakPolarHBondContact CE-O 3.49Å; N589-G594 PolarHBondContact ND2-O 3.14Å; N589-G594 WeakPolarHBondContact OD1-CA 3.47Å; N589-G594 PolarHBondContact OD1-N 2.91Å; C592-G594 VanDerWaalsContact C-N 3.29Å; C592-G594 PolarHBondContact O-N 3.27Å; G594-Y596 VanDerWaalsContact C-N 3.3Å; G594-Y596 PolarHBondContact O-N 3.09Å; G594-Y596 VanDerWaalsContact O-N 3.12Å |
| 595 | Y | 93.5 | Very high | 88 | Confident | 1 Ų | 1 | 19.4 Ų | 19.4 | 0% | 0.004 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -86.7 | 63.6 | 176.5 | -164.4 | -101.2 | 0 | 0 | 0 | 111.7 | M393 A396 M397 K429 S432 I433 W486 Y492 | M393-Y595 HydrophobicContact CG-CD2 4.13Å; M393-Y595 HydrophobicContact CG-CE2 4.19Å; A396-Y595 HydrophobicContact CB-CE2 4.29Å; A396-Y595 WeakPolarHBondContact CB-OH 3.03Å; M397-Y595 HydrophobicContact CE-CD2 3.77Å; M397-Y595 HydrophobicContact CE-CE2 4.05Å; M397-Y595 HydrophobicContact CE-CG 4.04Å; M397-Y595 HydrophobicContact CG-CD2 4.38Å; M397-Y595 HydrophobicContact CG-CE1 4.31Å; M397-Y595 HydrophobicContact CG-CE2 3.71Å; M397-Y595 PolarHBondContact N-OH 2.97Å; K429-Y595 HydrophobicContact CB-CE1 4.49Å; K429-Y595 HydrophobicContact CD-CE1 4.09Å; K429-Y595 HydrophobicContact CG-CD1 4.31Å; K429-Y595 HydrophobicContact CG-CE1 3.62Å; K429-Y595 HydrophobicContact CG-CE2 4.38Å; S432-Y595 VanDerWaalsContact CB-CD2 3.41Å; I433-Y595 HydrophobicContact CD1-CD1 4.07Å; I433-Y595 HydrophobicContact CD1-CG 3.95Å; W486-Y595 HydrophobicContact CE3-CD1 4.5Å; W486-Y595 VanDerWaalsContact CH2-O 3.32Å; W486-Y595 WeakPolarHBondContact CH2-O 3.39Å; W486-Y595 HydrophobicContact CZ3-CD1 4.1Å; W486-Y595 WeakPolarHBondContact CZ3-O 3.46Å; Y492-Y595 WeakPolarHBondContact CB-O 3.45Å; Y492-Y595 HydrophobicContact CD1-CD1 4.41Å; Y492-Y595 AromaticContact CD1-CE1 3.72Å; Y492-Y595 HydrophobicContact CD1-CE1 3.72Å; Y492-Y595 HydrophobicContact CG-CD1 4.26Å; Y492-Y595 HydrophobicContact CG-CE1 4.03Å |
| 596 | Y | 92.4 | Very high | 89 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -153.4 | 165.1 | 179.3 | 56.3 | -104.2 | 0 | 0 | 0 | 110.3 | P493 I495 R530 V531 N589 G594 V598 | P493-Y596 WeakPolarHBondContact O-CA 3.17Å; P493-Y596 WeakPolarHBondContact O-CB 3.33Å; I495-Y596 HydrophobicContact CD1-CD1 4.16Å; I495-Y596 HydrophobicContact CD1-CD2 3.41Å; I495-Y596 VanDerWaalsContact CD1-CD2 3.41Å; I495-Y596 HydrophobicContact CD1-CE1 4.2Å; I495-Y596 HydrophobicContact CD1-CE2 3.45Å; I495-Y596 VanDerWaalsContact CD1-CE2 3.45Å; I495-Y596 HydrophobicContact CD1-CG 3.78Å; I495-Y596 HydrophobicContact CG1-CD2 4.15Å; R530-Y596 WeakPolarHBondContact O-CE1 3.36Å; R530-Y596 PolarHBondContact O-OH 3.08Å; R530-Y596 VanDerWaalsContact O-OH 3.07Å; V531-Y596 WeakPolarHBondContact CA-OH 3.27Å; N589-Y596 HydrophobicContact CB-CE2 3.64Å; G594-Y596 VanDerWaalsContact C-N 3.3Å; G594-Y596 PolarHBondContact O-N 3.09Å; G594-Y596 VanDerWaalsContact O-N 3.12Å; Y596-V598 HydrophobicContact CD2-CG2 4.07Å; Y596-V598 HydrophobicContact CE2-CG2 3.76Å |
| 597 | R | 94.8 | Very high | 89.6 | Confident | 3 Ų | 3 | 27 Ų | 27 | 1% | 0.011 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 144.7 | 177.6 | -60.4 | -168.4 | 176.1 | -83.9 | 8.3 | 111.8 | M397 Y492 P493 M494 I495 S627 D628 A631 F632 | M397-R597 HydrophobicContact SD-CG 4.49Å; Y492-R597 HydrophobicContact CE2-CG 3.74Å; Y492-R597 PolarHBondContact OH-NE 2.95Å; P493-R597 PolarHBondContact O-N 3.31Å; P493-R597 VanDerWaalsContact O-N 3.12Å; M494-R597 CarbonylContact C-O 3.48Å; M494-R597 WeakPolarHBondContact CA-O 3.3Å; I495-R597 PolarHBondContact N-O 3.14Å; R597-S627 PolarHBondContact NH1-OG 3.41Å; R597-S627 VanDerWaalsContact NH1-OG 3.11Å; R597-D628 WeakPolarHBondContact CA-OD2 3.34Å; R597-D628 HydrophobicContact CB-CB 4.46Å; R597-D628 WeakPolarHBondContact CB-OD1 3.25Å; R597-D628 WeakPolarHBondContact CG-OD1 3.05Å; R597-D628 IonicContact CZ-OD1 3.46Å; R597-D628 IonicContact NH1-OD1 3.86Å; R597-D628 PolarHBondContact NH1-OD1 3.04Å; R597-A631 VanDerWaalsContact CZ-CB 3.49Å; R597-F632 HydrophobicContact CB-CE1 4.05Å; R597-F632 HydrophobicContact CB-CZ 3.66Å |
| 598 | V | 93.9 | Very high | 89.9 | Confident | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.012 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 111.9 | 179.7 | -174.1 | 0 | 0 | 0 | 0 | 110.7 | I495 V497 V588 N589 Y596 Y600 D628 F632 | I495-V598 CarbonylContact O-C 3.55Å; I495-V598 WeakPolarHBondContact O-CA 3.48Å; V497-V598 HydrophobicContact CB-CG1 4.5Å; V497-V598 HydrophobicContact CG2-CG1 3.56Å; V588-V598 HydrophobicContact CB-CG1 4.03Å; V588-V598 HydrophobicContact CB-CG2 4.23Å; V588-V598 HydrophobicContact CG1-CG1 4.29Å; V588-V598 HydrophobicContact CG1-CG2 3.96Å; N589-V598 HydrophobicContact CB-CG2 4.02Å; Y596-V598 HydrophobicContact CD2-CG2 4.07Å; Y596-V598 HydrophobicContact CE2-CG2 3.76Å; V598-Y600 HydrophobicContact CB-CE2 3.96Å; V598-Y600 HydrophobicContact CG1-CD1 4.37Å; V598-Y600 HydrophobicContact CG1-CD2 4.05Å; V598-Y600 HydrophobicContact CG1-CE1 3.93Å; V598-Y600 HydrophobicContact CG1-CE2 3.56Å; V598-Y600 HydrophobicContact CG1-CG 4.43Å; V598-Y600 VanDerWaalsContact CG1-CZ 3.5Å; V598-D628 PolarHBondContact N-OD2 3.41Å; V598-F632 WeakPolarHBondContact O-CE2 3.18Å |
| 599 | K | 93.4 | Very high | 90 | Very high | 39 Ų | 39 | 29 Ų | 29 | 17% | 0.17 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 103.7 | 174 | -177.1 | 174.7 | 161.7 | -72.2 | 0 | 110 | M494 I495 E496 V497 F632 L637 | M494-K599 HydrophobicContact CE-CD 4.42Å; M494-K599 HydrophobicContact CG-CB 4.06Å; M494-K599 HydrophobicContact SD-CB 3.76Å; M494-K599 HydrophobicContact SD-CD 3.78Å; M494-K599 HydrophobicContact SD-CG 4.4Å; I495-K599 PolarHBondContact O-N 3.19Å; E496-K599 WeakPolarHBondContact CA-O 3.38Å; E496-K599 HydrophobicContact CG-CB 4.28Å; E496-K599 HydrophobicContact CG-CD 4.37Å; E496-K599 IonicContact OE2-NZ 3.96Å; E496-K599 PolarHBondContact OE2-NZ 3.32Å; V497-K599 PolarHBondContact N-O 2.98Å; K599-F632 VanDerWaalsContact CA-CE2 3.41Å; K599-F632 HydrophobicContact CB-CD2 4.04Å; K599-F632 HydrophobicContact CB-CE1 4.13Å; K599-F632 HydrophobicContact CB-CE2 3.52Å; K599-F632 HydrophobicContact CB-CZ 3.57Å; K599-F632 HydrophobicContact CD-CG 4.48Å; K599-F632 HydrophobicContact CG-CD2 4.09Å; K599-F632 HydrophobicContact CG-CE2 4.09Å; K599-F632 HydrophobicContact CG-CG 4.46Å; K599-F632 HydrophobicContact CG-CZ 4.44Å; K599-L637 HydrophobicContact CD-CB 4.43Å |
| 600 | Y | 92.9 | Very high | 89.9 | Confident | 17 Ų | 17 | 30.4 Ų | 30.4 | 7% | 0.067 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 146.8 | 173.6 | -63.2 | -83.9 | 0 | 0 | 0 | 111.3 | V497 F587 V588 V598 L604 L608 | V497-Y600 HydrophobicContact CB-CD1 4.33Å; F587-Y600 VanDerWaalsContact CD2-OH 3.3Å; F587-Y600 WeakPolarHBondContact CD2-OH 3.34Å; V588-Y600 HydrophobicContact CG2-CE1 4.34Å; V588-Y600 PolarHBondContact N-OH 2.81Å; V588-Y600 PolarHBondContact O-OH 3Å; V598-Y600 HydrophobicContact CB-CE2 3.96Å; V598-Y600 HydrophobicContact CG1-CD1 4.37Å; V598-Y600 HydrophobicContact CG1-CD2 4.05Å; V598-Y600 HydrophobicContact CG1-CE1 3.93Å; V598-Y600 HydrophobicContact CG1-CE2 3.56Å; V598-Y600 HydrophobicContact CG1-CG 4.43Å; V598-Y600 VanDerWaalsContact CG1-CZ 3.5Å; Y600-L604 HydrophobicContact CD1-CB 4.06Å; Y600-L604 HydrophobicContact CD1-CD1 4.34Å; Y600-L604 HydrophobicContact CG-CB 4.46Å; Y600-L608 HydrophobicContact CD1-CD1 4.12Å; Y600-L608 HydrophobicContact CD2-CD1 3.72Å; Y600-L608 HydrophobicContact CE1-CD1 4.1Å; Y600-L608 HydrophobicContact CE2-CD1 3.72Å; Y600-L608 HydrophobicContact CG-CD1 3.93Å |
| 601 | S | 90.3 | Very high | 89.8 | Confident | 29 Ų | 29 | 30.5 Ų | 30.5 | 20% | 0.203 | 17% | 0.17 | C | C | . | . | trans | -57.5 | 157.3 | 164 | 75.2 | 0 | 0 | 0 | 0 | 110.9 | V497 H603 L604 L605 | V497-S601 PolarHBondContact O-N 3.49Å; V497-S601 VanDerWaalsContact O-N 3.08Å; S601-H603 PolarHBondContact O-N 3.42Å; S601-L604 PolarHBondContact O-N 2.94Å; S601-L604 VanDerWaalsContact O-N 3.1Å; S601-L604 PolarHBondContact OG-N 3.41Å; S601-L605 WeakPolarHBondContact O-CB 3.41Å; S601-L605 PolarHBondContact O-N 3.44Å | ||
| 602 | A | 89.7 | Confident | 89.9 | Confident | 85 Ų | 85 | 27 Ų | 27 | 70% | 0.702 | 15% | 0.152 | S | C | * | . | H | α-helix | trans | -55 | -40.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L605 E606 | A602-L605 PolarHBondContact O-N 3.49Å; A602-E606 PolarHBondContact O-N 3.48Å |
| 603 | H | 85.7 | Confident | 90 | Very high | 91 Ų | 91 | 32.4 Ų | 32.4 | 42% | 0.421 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -63.5 | -47.6 | 176.4 | 179.5 | 56 | 0 | 0 | 0 | 112.4 | S601 L605 E606 M607 | S601-H603 PolarHBondContact O-N 3.42Å; H603-L605 PolarHBondContact O-N 2.95Å; H603-E606 PolarHBondContact O-N 3.31Å; H603-M607 WeakPolarHBondContact O-CG 3.36Å; H603-M607 PolarHBondContact O-N 2.99Å |
| 604 | L | 87.3 | Confident | 90 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.4 | -39.2 | 178.1 | -76.9 | 174.6 | 0 | 0 | 0 | 112 | V497 L499 Y600 S601 E606 M607 L608 | V497-L604 HydrophobicContact CG1-CD1 3.97Å; V497-L604 WeakPolarHBondContact O-CD1 3.32Å; L499-L604 HydrophobicContact CB-CD1 4.04Å; L499-L604 HydrophobicContact CB-CD2 4.01Å; L499-L604 HydrophobicContact CB-CG 4.08Å; L499-L604 HydrophobicContact CD2-CD2 4.17Å; Y600-L604 HydrophobicContact CD1-CB 4.06Å; Y600-L604 HydrophobicContact CD1-CD1 4.34Å; Y600-L604 HydrophobicContact CG-CB 4.46Å; S601-L604 PolarHBondContact O-N 2.94Å; S601-L604 VanDerWaalsContact O-N 3.1Å; S601-L604 PolarHBondContact OG-N 3.41Å; L604-E606 VanDerWaalsContact C-N 3.33Å; L604-E606 PolarHBondContact O-N 3.38Å; L604-M607 HydrophobicContact CD2-SD 4.27Å; L604-M607 PolarHBondContact O-N 2.96Å; L604-L608 WeakPolarHBondContact O-CG 3.27Å; L604-L608 PolarHBondContact O-N 3.13Å; L604-L608 VanDerWaalsContact O-N 3.14Å |
| 605 | L | 91.1 | Very high | 89.9 | Confident | 16 Ų | 16 | 37.8 Ų | 37.8 | 8% | 0.084 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.3 | -41 | 176.3 | -175.5 | 62.6 | 0 | 0 | 0 | 111.5 | S601 A602 H603 L608 V625 T629 V642 F646 | S601-L605 WeakPolarHBondContact O-CB 3.41Å; S601-L605 PolarHBondContact O-N 3.44Å; A602-L605 PolarHBondContact O-N 3.49Å; H603-L605 PolarHBondContact O-N 2.95Å; L605-L608 WeakPolarHBondContact O-CB 3.3Å; L605-L608 PolarHBondContact O-N 3.34Å; L605-V625 HydrophobicContact CD1-CG1 3.98Å; L605-T629 HydrophobicContact CD2-CG2 4.19Å; L605-V642 HydrophobicContact CD2-CG1 4.25Å; L605-F646 HydrophobicContact CD1-CD2 4.01Å; L605-F646 HydrophobicContact CD1-CE1 4.38Å; L605-F646 HydrophobicContact CD1-CE2 3.54Å; L605-F646 HydrophobicContact CD1-CZ 3.76Å; L605-F646 HydrophobicContact CD2-CD2 4.48Å; L605-F646 HydrophobicContact CG-CD2 3.98Å; L605-F646 HydrophobicContact CG-CE2 3.91Å |
| 606 | E | 88.6 | Confident | 89.5 | Confident | 134 Ų | 134 | 41 Ų | 41 | 63% | 0.626 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -63.3 | -43.2 | 174.6 | -175.6 | 175 | -167.4 | 0 | 0 | 111.7 | A602 H603 L604 L608 L609 | A602-E606 PolarHBondContact O-N 3.48Å; H603-E606 PolarHBondContact O-N 3.31Å; L604-E606 VanDerWaalsContact C-N 3.33Å; L604-E606 PolarHBondContact O-N 3.38Å; E606-L608 PolarHBondContact O-N 3.34Å; E606-L609 HydrophobicContact CG-CD1 4.4Å; E606-L609 VanDerWaalsContact O-CB 3.3Å; E606-L609 WeakPolarHBondContact O-CB 3.45Å; E606-L609 PolarHBondContact O-N 2.74Å |
| 607 | M | 85.7 | Confident | 89.4 | Confident | 47 Ų | 47 | 41 Ų | 41 | 23% | 0.232 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.3 | -31.2 | 176.7 | -67.3 | 177.8 | 73.1 | 0 | 0 | 112.7 | L585 H603 L604 L609 P611 | L585-M607 HydrophobicContact CB-CE 4.16Å; L585-M607 HydrophobicContact CD1-CB 3.53Å; L585-M607 HydrophobicContact CD1-CE 4.16Å; L585-M607 HydrophobicContact CD1-SD 4.41Å; L585-M607 HydrophobicContact CD2-CB 4.31Å; L585-M607 VanDerWaalsContact CD2-O 3.26Å; L585-M607 WeakPolarHBondContact CD2-O 3.33Å; L585-M607 HydrophobicContact CG-CB 4.46Å; H603-M607 WeakPolarHBondContact O-CG 3.36Å; H603-M607 PolarHBondContact O-N 2.99Å; L604-M607 HydrophobicContact CD2-SD 4.27Å; L604-M607 PolarHBondContact O-N 2.96Å; M607-L609 PolarHBondContact O-N 3.48Å; M607-P611 WeakPolarHBondContact O-CD 3.19Å |
| 608 | L | 88.9 | Confident | 89.2 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.5 | -17.9 | 176.9 | -70.3 | 169.8 | 0 | 0 | 0 | 113.7 | L585 F587 Y600 L604 L605 E606 A610 P611 I612 L617 V625 | L585-L608 HydrophobicContact CD1-CD2 4.12Å; L585-L608 HydrophobicContact CD1-CG 4.34Å; L585-L608 HydrophobicContact CD2-CD2 4.16Å; L585-L608 HydrophobicContact CG-CD2 4.3Å; F587-L608 HydrophobicContact CB-CD2 4.45Å; F587-L608 HydrophobicContact CD2-CD2 3.96Å; Y600-L608 HydrophobicContact CD1-CD1 4.12Å; Y600-L608 HydrophobicContact CD2-CD1 3.72Å; Y600-L608 HydrophobicContact CE1-CD1 4.1Å; Y600-L608 HydrophobicContact CE2-CD1 3.72Å; Y600-L608 HydrophobicContact CG-CD1 3.93Å; L604-L608 WeakPolarHBondContact O-CG 3.27Å; L604-L608 PolarHBondContact O-N 3.13Å; L604-L608 VanDerWaalsContact O-N 3.14Å; L605-L608 WeakPolarHBondContact O-CB 3.3Å; L605-L608 PolarHBondContact O-N 3.34Å; E606-L608 PolarHBondContact O-N 3.34Å; L608-A610 VanDerWaalsContact C-N 3.3Å; L608-A610 PolarHBondContact O-N 2.9Å; L608-P611 WeakPolarHBondContact O-CD 3.41Å; L608-P611 VanDerWaalsContact O-CG 3.3Å; L608-P611 WeakPolarHBondContact O-CG 3.39Å; L608-I612 HydrophobicContact CB-CD1 4.18Å; L608-I612 WeakPolarHBondContact O-CB 3.4Å; L608-I612 VanDerWaalsContact O-CD1 3.28Å; L608-I612 WeakPolarHBondContact O-CD1 3.32Å; L608-I612 WeakPolarHBondContact O-CG1 3.43Å; L608-I612 PolarHBondContact O-N 3.31Å; L608-L617 HydrophobicContact CD2-CD1 4.45Å; L608-V625 HydrophobicContact CD1-CG1 4.23Å; L608-V625 HydrophobicContact CD1-CG2 4.28Å |
| 609 | L | 89.2 | Confident | 89.1 | Confident | 41 Ų | 41 | 43.7 Ų | 43.7 | 22% | 0.215 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.4 | -38.4 | 178.7 | -73 | 170.5 | 0 | 0 | 0 | 112.8 | E606 M607 K613 F646 | E606-L609 HydrophobicContact CG-CD1 4.4Å; E606-L609 VanDerWaalsContact O-CB 3.3Å; E606-L609 WeakPolarHBondContact O-CB 3.45Å; E606-L609 PolarHBondContact O-N 2.74Å; M607-L609 PolarHBondContact O-N 3.48Å; L609-K613 WeakPolarHBondContact O-CB 3.4Å; L609-K613 VanDerWaalsContact O-CG 3.28Å; L609-K613 WeakPolarHBondContact O-CG 3.18Å; L609-K613 PolarHBondContact O-N 2.9Å; L609-F646 HydrophobicContact CD2-CD2 3.49Å; L609-F646 VanDerWaalsContact CD2-CD2 3.49Å; L609-F646 HydrophobicContact CD2-CE2 3.59Å; L609-F646 HydrophobicContact CD2-CG 4.32Å; L609-F646 HydrophobicContact CG-CD2 4.05Å; L609-F646 HydrophobicContact CG-CE2 4Å |
| 610 | A | 86.4 | Confident | 89.2 | Confident | 30 Ų | 30 | 42.4 Ų | 42.4 | 25% | 0.248 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.1 | -55.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113 | L550 L608 I612 K613 S614 | L550-A610 HydrophobicContact CD2-CB 4.25Å; L608-A610 VanDerWaalsContact C-N 3.3Å; L608-A610 PolarHBondContact O-N 2.9Å; A610-I612 VanDerWaalsContact C-N 3.29Å; A610-I612 PolarHBondContact O-N 3.12Å; A610-K613 PolarHBondContact O-N 3.45Å; A610-S614 PolarHBondContact O-N 3.12Å; A610-S614 PolarHBondContact O-OG 2.78Å; A610-S614 VanDerWaalsContact O-OG 3.1Å |
| 611 | P | 86.3 | Confident | 89.2 | Confident | 5 Ų | 5 | 41.9 Ų | 41.9 | 3% | 0.032 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -71.3 | -20.3 | 178.6 | 34.2 | -42.9 | 0 | 0 | 0 | 114 | L585 M607 L608 S614 K615 I616 L617 | L585-P611 HydrophobicContact CD2-CG 3.53Å; M607-P611 WeakPolarHBondContact O-CD 3.19Å; L608-P611 WeakPolarHBondContact O-CD 3.41Å; L608-P611 VanDerWaalsContact O-CG 3.3Å; L608-P611 WeakPolarHBondContact O-CG 3.39Å; P611-S614 WeakPolarHBondContact CA-OG 3.12Å; P611-K615 PolarHBondContact O-N 3.08Å; P611-I616 HydrophobicContact CB-CB 4.39Å; P611-I616 PolarHBondContact O-N 3.12Å; P611-L617 HydrophobicContact CB-CG 4.08Å; P611-L617 HydrophobicContact CG-CD1 4.4Å; P611-L617 HydrophobicContact CG-CG 4.31Å; P611-L617 PolarHBondContact O-N 3.46Å |
| 612 | I | 91.2 | Very high | 89.5 | Confident | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.015 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.3 | -54.8 | 168.7 | -71.2 | 167.2 | 0 | 0 | 0 | 109.7 | L608 A610 S614 K615 L617 R622 V625 F646 Y650 | L608-I612 HydrophobicContact CB-CD1 4.18Å; L608-I612 WeakPolarHBondContact O-CB 3.4Å; L608-I612 VanDerWaalsContact O-CD1 3.28Å; L608-I612 WeakPolarHBondContact O-CD1 3.32Å; L608-I612 WeakPolarHBondContact O-CG1 3.43Å; L608-I612 PolarHBondContact O-N 3.31Å; A610-I612 VanDerWaalsContact C-N 3.29Å; A610-I612 PolarHBondContact O-N 3.12Å; I612-S614 VanDerWaalsContact C-N 3.33Å; I612-S614 PolarHBondContact O-N 3.36Å; I612-K615 PolarHBondContact O-N 2.99Å; I612-L617 HydrophobicContact CG1-CD1 3.8Å; I612-R622 HydrophobicContact CG1-CG 4.3Å; I612-R622 WeakPolarHBondContact O-CD 3.48Å; I612-V625 HydrophobicContact CD1-CB 4.43Å; I612-V625 HydrophobicContact CD1-CG1 4.26Å; I612-F646 HydrophobicContact CD1-CE1 4.33Å; I612-F646 HydrophobicContact CD1-CE2 4.15Å; I612-F646 HydrophobicContact CD1-CZ 3.47Å; I612-F646 VanDerWaalsContact CD1-CZ 3.47Å; I612-Y650 HydrophobicContact CD1-CE2 4.29Å; I612-Y650 HydrophobicContact CG2-CD1 4.12Å; I612-Y650 HydrophobicContact CG2-CD2 4.2Å; I612-Y650 HydrophobicContact CG2-CE1 3.85Å; I612-Y650 HydrophobicContact CG2-CE2 3.89Å; I612-Y650 HydrophobicContact CG2-CG 4.31Å |
| 613 | K | 90.7 | Very high | 89.8 | Confident | 115 Ų | 115 | 37.3 Ų | 37.3 | 50% | 0.5 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.5 | -40.7 | -179.2 | -75.7 | 177.2 | 178.9 | -175.1 | 0 | 112.5 | L609 A610 K615 G649 | L609-K613 WeakPolarHBondContact O-CB 3.4Å; L609-K613 VanDerWaalsContact O-CG 3.28Å; L609-K613 WeakPolarHBondContact O-CG 3.18Å; L609-K613 PolarHBondContact O-N 2.9Å; A610-K613 PolarHBondContact O-N 3.45Å; K613-K615 PolarHBondContact O-N 2.65Å; K613-G649 VanDerWaalsContact CG-O 3.3Å; K613-G649 WeakPolarHBondContact CG-O 3.39Å |
| 614 | S | 88.1 | Confident | 90.2 | Very high | 49 Ų | 49 | 33.1 Ų | 33.1 | 34% | 0.343 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -3.3 | 177.6 | 66.9 | 0 | 0 | 0 | 0 | 114 | A610 P611 I612 I616 | A610-S614 PolarHBondContact O-N 3.12Å; A610-S614 PolarHBondContact O-OG 2.78Å; A610-S614 VanDerWaalsContact O-OG 3.1Å; P611-S614 WeakPolarHBondContact CA-OG 3.12Å; I612-S614 VanDerWaalsContact C-N 3.33Å; I612-S614 PolarHBondContact O-N 3.36Å; S614-I616 PolarHBondContact O-N 3.46Å; S614-I616 VanDerWaalsContact OG-CD1 3.31Å; S614-I616 WeakPolarHBondContact OG-CD1 3.47Å; S614-I616 VanDerWaalsContact OG-CG1 3.32Å; S614-I616 WeakPolarHBondContact OG-CG1 3.32Å |
| 615 | K | 89 | Confident | 90.7 | Very high | 82 Ų | 82 | 33 Ų | 33 | 36% | 0.357 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 29 | -178.2 | -58.8 | 177.8 | -179.4 | 173.4 | 0 | 114 | P611 I612 K613 L617 D652 T654 | P611-K615 PolarHBondContact O-N 3.08Å; I612-K615 PolarHBondContact O-N 2.99Å; K613-K615 PolarHBondContact O-N 2.65Å; K615-L617 CarbonylContact C-O 3.56Å; K615-D652 WeakPolarHBondContact CE-O 3.31Å; K615-D652 PolarHBondContact NZ-O 3.49Å; K615-T654 PolarHBondContact NZ-OG1 3.3Å |
| 616 | I | 85.1 | Confident | 90.9 | Very high | 69 Ų | 69 | 32.3 Ų | 32.3 | 35% | 0.354 | 17% | 0.17 | S | C | . | . | trans | -75.9 | -34.4 | 174.2 | -69.5 | 175.4 | 0 | 0 | 0 | 110.7 | F536 V552 P611 S614 | F536-I616 HydrophobicContact CD1-CG2 3.7Å; F536-I616 HydrophobicContact CE1-CG2 3.59Å; V552-I616 HydrophobicContact CB-CD1 3.27Å; V552-I616 HydrophobicContact CG1-CD1 3.69Å; V552-I616 HydrophobicContact CG2-CD1 3.28Å; P611-I616 HydrophobicContact CB-CB 4.39Å; P611-I616 PolarHBondContact O-N 3.12Å; S614-I616 PolarHBondContact O-N 3.46Å; S614-I616 VanDerWaalsContact OG-CD1 3.31Å; S614-I616 WeakPolarHBondContact OG-CD1 3.47Å; S614-I616 VanDerWaalsContact OG-CG1 3.32Å; S614-I616 WeakPolarHBondContact OG-CG1 3.32Å | ||
| 617 | L | 88.7 | Confident | 91.3 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -64.5 | 140.1 | 164 | -72.6 | -174.3 | 0 | 0 | 0 | 109.7 | F536 F587 L608 P611 I612 K615 D621 R622 | F536-L617 HydrophobicContact CE1-CD2 4.23Å; F536-L617 HydrophobicContact CE2-CD2 3.5Å; F536-L617 HydrophobicContact CZ-CD2 3.26Å; F536-L617 HydrophobicContact CZ-CG 4.41Å; F587-L617 HydrophobicContact CB-CD2 4.23Å; F587-L617 HydrophobicContact CD1-CD2 4.23Å; F587-L617 HydrophobicContact CD2-CD1 4.37Å; F587-L617 HydrophobicContact CD2-CD2 4.4Å; F587-L617 HydrophobicContact CG-CD2 4.01Å; L608-L617 HydrophobicContact CD2-CD1 4.45Å; P611-L617 HydrophobicContact CB-CG 4.08Å; P611-L617 HydrophobicContact CG-CD1 4.4Å; P611-L617 HydrophobicContact CG-CG 4.31Å; P611-L617 PolarHBondContact O-N 3.46Å; I612-L617 HydrophobicContact CG1-CD1 3.8Å; K615-L617 CarbonylContact C-O 3.56Å; L617-D621 HydrophobicContact CB-CB 4.02Å; L617-D621 HydrophobicContact CD2-CB 4.22Å; L617-D621 HydrophobicContact CG-CB 4.47Å; L617-R622 HydrophobicContact CB-CG 3.61Å; L617-R622 HydrophobicContact CD1-CG 4.47Å; L617-R622 PolarHBondContact O-NH1 2.98Å |
| 618 | S | 90.8 | Very high | 91.8 | Very high | 41 Ų | 41 | 23.9 Ų | 23.9 | 29% | 0.287 | 13% | 0.131 | S | C | . | . | trans | -60 | 159.1 | 173.3 | 73.7 | 0 | 0 | 0 | 0 | 110.9 | V620 D621 R622 | S618-V620 PolarHBondContact O-N 3.15Å; S618-D621 PolarHBondContact N-OD2 3.43Å; S618-D621 PolarHBondContact O-N 2.9Å; S618-D621 VanDerWaalsContact O-N 3.11Å; S618-D621 WeakPolarHBondContact OG-CB 3.47Å; S618-D621 PolarHBondContact OG-N 3.43Å; S618-D621 VanDerWaalsContact OG-N 3.12Å; S618-D621 PolarHBondContact OG-OD1 3.45Å; S618-D621 PolarHBondContact OG-OD2 2.86Å; S618-R622 WeakPolarHBondContact O-CG 3.28Å; S618-R622 PolarHBondContact O-N 3.31Å | ||
| 619 | A | 93 | Very high | 92.2 | Very high | 20 Ų | 20 | 24.2 Ų | 24.2 | 17% | 0.165 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -55.3 | -41.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R622 F623 D655 V658 | A619-R622 PolarHBondContact O-N 3.39Å; A619-F623 WeakPolarHBondContact O-CB 3.3Å; A619-F623 PolarHBondContact O-N 3.01Å; A619-D655 HydrophobicContact CB-CB 4.04Å; A619-D655 WeakPolarHBondContact CB-OD2 3.04Å; A619-V658 VanDerWaalsContact O-CG2 3.31Å; A619-V658 WeakPolarHBondContact O-CG2 3.23Å |
| 620 | V | 93.8 | Very high | 92.6 | Very high | 12 Ų | 12 | 22.5 Ų | 22.5 | 7% | 0.073 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.4 | -41 | 177 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | V389 N591 C592 S618 F623 N624 | V389-V620 HydrophobicContact CG1-CG1 3.92Å; V389-V620 HydrophobicContact CG2-CG1 4.29Å; V389-V620 HydrophobicContact CG2-CG2 4.41Å; N591-V620 VanDerWaalsContact C-CG1 3.49Å; C592-V620 HydrophobicContact CB-CG1 3.82Å; C592-V620 WeakPolarHBondContact SG-CG1 3.36Å; C592-V620 PolarHBondContact SG-O 3.26Å; C592-V620 VanDerWaalsContact SG-O 3.4Å; S618-V620 PolarHBondContact O-N 3.15Å; V620-F623 WeakPolarHBondContact O-CB 3.28Å; V620-F623 PolarHBondContact O-N 3.47Å; V620-N624 PolarHBondContact O-N 3.26Å |
| 621 | D | 94.1 | Very high | 93.1 | Very high | 5 Ų | 5 | 21.3 Ų | 21.3 | 3% | 0.027 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67.1 | -43.8 | 177.1 | -63.6 | -29.5 | 0 | 0 | 0 | 111.8 | F587 T590 N591 L617 S618 F623 N624 V625 | F587-D621 HydrophobicContact CD1-CB 4.29Å; F587-D621 HydrophobicContact CE1-CB 3.51Å; F587-D621 WeakPolarHBondContact CE1-OD1 3.1Å; F587-D621 HydrophobicContact CE2-CB 4.48Å; F587-D621 HydrophobicContact CZ-CB 3.63Å; T590-D621 WeakPolarHBondContact CA-OD1 3.33Å; T590-D621 PolarHBondContact OG1-OD1 3.19Å; T590-D621 PolarHBondContact OG1-OD2 3Å; N591-D621 PolarHBondContact N-OD1 3.47Å; L617-D621 HydrophobicContact CB-CB 4.02Å; L617-D621 HydrophobicContact CD2-CB 4.22Å; L617-D621 HydrophobicContact CG-CB 4.47Å; S618-D621 PolarHBondContact N-OD2 3.43Å; S618-D621 PolarHBondContact O-N 2.9Å; S618-D621 VanDerWaalsContact O-N 3.11Å; S618-D621 WeakPolarHBondContact OG-CB 3.47Å; S618-D621 PolarHBondContact OG-N 3.43Å; S618-D621 VanDerWaalsContact OG-N 3.12Å; S618-D621 PolarHBondContact OG-OD1 3.45Å; S618-D621 PolarHBondContact OG-OD2 2.86Å; D621-F623 VanDerWaalsContact C-N 3.31Å; D621-F623 PolarHBondContact O-N 3.38Å; D621-N624 WeakPolarHBondContact O-CB 3.22Å; D621-N624 PolarHBondContact O-N 3.21Å; D621-N624 VanDerWaalsContact O-N 3.12Å; D621-V625 PolarHBondContact O-N 3.07Å; D621-V625 VanDerWaalsContact O-N 3.16Å |
| 622 | R | 95.7 | Very high | 93.6 | Very high | 16 Ų | 16 | 21.3 Ų | 21.3 | 6% | 0.06 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.3 | -38.4 | 176.1 | -63.6 | -165.9 | -47.1 | -83.2 | 1.5 | 111.5 | I612 L617 S618 A619 C626 Y650 E653 V658 | I612-R622 HydrophobicContact CG1-CG 4.3Å; I612-R622 WeakPolarHBondContact O-CD 3.48Å; L617-R622 HydrophobicContact CB-CG 3.61Å; L617-R622 HydrophobicContact CD1-CG 4.47Å; L617-R622 PolarHBondContact O-NH1 2.98Å; S618-R622 WeakPolarHBondContact O-CG 3.28Å; S618-R622 PolarHBondContact O-N 3.31Å; A619-R622 PolarHBondContact O-N 3.39Å; R622-C626 PolarHBondContact O-N 3.33Å; R622-Y650 HydrophobicContact CB-CE1 4.12Å; R622-Y650 PolarHBondContact O-OH 2.89Å; R622-E653 IonicContact CZ-OE1 3.44Å; R622-E653 IonicContact CZ-OE2 3.23Å; R622-E653 IonicContact NE-OE1 3.38Å; R622-E653 IonicContact NE-OE2 2.72Å; R622-E653 PolarHBondContact NE-OE2 2.86Å; R622-E653 IonicContact NH2-OE1 2.68Å; R622-E653 PolarHBondContact NH2-OE1 2.9Å; R622-E653 IonicContact NH2-OE2 2.84Å; R622-E653 PolarHBondContact NH2-OE2 3.09Å; R622-E653 VanDerWaalsContact NH2-OE2 3.13Å; R622-V658 HydrophobicContact CB-CG2 4.09Å |
| 623 | F | 95.9 | Very high | 93.9 | Very high | 3 Ų | 3 | 21.1 Ų | 21.1 | 1% | 0.013 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.5 | -45.7 | 171.1 | 164.4 | -87.9 | 0 | 0 | 0 | 111.1 | V389 A619 V620 D621 V625 C626 S627 N657 V658 E661 | V389-F623 HydrophobicContact CB-CD1 3.97Å; V389-F623 HydrophobicContact CB-CE1 3.62Å; V389-F623 HydrophobicContact CB-CZ 4.23Å; V389-F623 HydrophobicContact CG2-CD1 3.48Å; V389-F623 VanDerWaalsContact CG2-CD1 3.48Å; V389-F623 HydrophobicContact CG2-CD2 4.46Å; V389-F623 HydrophobicContact CG2-CE1 3.56Å; V389-F623 HydrophobicContact CG2-CE2 4.49Å; V389-F623 HydrophobicContact CG2-CG 3.97Å; V389-F623 HydrophobicContact CG2-CZ 4.07Å; V389-F623 VanDerWaalsContact O-CZ 3.31Å; V389-F623 WeakPolarHBondContact O-CZ 3.42Å; A619-F623 WeakPolarHBondContact O-CB 3.3Å; A619-F623 PolarHBondContact O-N 3.01Å; V620-F623 WeakPolarHBondContact O-CB 3.28Å; V620-F623 PolarHBondContact O-N 3.47Å; D621-F623 VanDerWaalsContact C-N 3.31Å; D621-F623 PolarHBondContact O-N 3.38Å; F623-V625 PolarHBondContact O-N 3.17Å; F623-C626 PolarHBondContact O-N 2.82Å; F623-S627 WeakPolarHBondContact O-CB 3.34Å; F623-S627 PolarHBondContact O-N 3.3Å; F623-N657 HydrophobicContact CD2-CB 4.48Å; F623-N657 VanDerWaalsContact CD2-O 3.3Å; F623-N657 WeakPolarHBondContact CD2-O 3.28Å; F623-V658 HydrophobicContact CB-CG2 4.09Å; F623-E661 HydrophobicContact CD2-CB 3.79Å; F623-E661 HydrophobicContact CD2-CG 4.49Å; F623-E661 HydrophobicContact CE2-CB 3.65Å; F623-E661 HydrophobicContact CE2-CG 4.18Å |
| 624 | N | 95.9 | Very high | 94.1 | Very high | 3 Ų | 3 | 17 Ų | 17 | 2% | 0.016 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -58.2 | -50.5 | -177.7 | -156.5 | 26.8 | 0 | 0 | 0 | 112 | F587 C592 V620 D621 C626 S627 D628 | F587-N624 HydrophobicContact CZ-CB 4.42Å; C592-N624 WeakPolarHBondContact SG-CB 3.48Å; V620-N624 PolarHBondContact O-N 3.26Å; D621-N624 WeakPolarHBondContact O-CB 3.22Å; D621-N624 PolarHBondContact O-N 3.21Å; D621-N624 VanDerWaalsContact O-N 3.12Å; N624-C626 VanDerWaalsContact C-N 3.27Å; N624-C626 PolarHBondContact O-N 2.96Å; N624-S627 PolarHBondContact O-N 3.17Å; N624-D628 WeakPolarHBondContact O-CB 3.32Å; N624-D628 PolarHBondContact O-N 2.97Å |
| 625 | V | 95.8 | Very high | 94.5 | Very high | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.012 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60.6 | -41 | -179.1 | -173.7 | 0 | 0 | 0 | 0 | 110.7 | F587 L605 L608 I612 D621 F623 T629 F646 | F587-V625 HydrophobicContact CD2-CG2 4.24Å; F587-V625 HydrophobicContact CE2-CG2 3.44Å; F587-V625 VanDerWaalsContact CE2-CG2 3.44Å; F587-V625 HydrophobicContact CZ-CG2 4.28Å; L605-V625 HydrophobicContact CD1-CG1 3.98Å; L608-V625 HydrophobicContact CD1-CG1 4.23Å; L608-V625 HydrophobicContact CD1-CG2 4.28Å; I612-V625 HydrophobicContact CD1-CB 4.43Å; I612-V625 HydrophobicContact CD1-CG1 4.26Å; D621-V625 PolarHBondContact O-N 3.07Å; D621-V625 VanDerWaalsContact O-N 3.16Å; F623-V625 PolarHBondContact O-N 3.17Å; V625-T629 VanDerWaalsContact O-CB 3.25Å; V625-T629 WeakPolarHBondContact O-CB 3.41Å; V625-T629 PolarHBondContact O-N 3.06Å; V625-T629 PolarHBondContact O-OG1 3.33Å; V625-F646 HydrophobicContact CG1-CE1 3.78Å; V625-F646 HydrophobicContact CG1-CE2 4.49Å; V625-F646 HydrophobicContact CG1-CZ 3.44Å; V625-F646 VanDerWaalsContact CG1-CZ 3.44Å |
| 626 | C | 96.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -64.2 | -49 | 177.4 | -173.5 | 0 | 0 | 0 | 0 | 111.8 | R622 F623 N624 F630 Y643 Y650 | R622-C626 PolarHBondContact O-N 3.33Å; F623-C626 PolarHBondContact O-N 2.82Å; N624-C626 VanDerWaalsContact C-N 3.27Å; N624-C626 PolarHBondContact O-N 2.96Å; C626-F630 PolarHBondContact O-N 3.31Å; C626-F630 VanDerWaalsContact O-N 3.09Å; C626-Y643 PolarHBondContact SG-OH 3.05Å; C626-Y650 HydrophobicContact CB-CE1 4.31Å |
| 627 | S | 96.2 | Very high | 95.2 | Very high | 3 Ų | 3 | 12.1 Ų | 12.1 | 2% | 0.021 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -59.4 | -49.4 | 178.9 | -179.5 | 0 | 0 | 0 | 0 | 111.9 | R597 F623 N624 F630 A631 | R597-S627 PolarHBondContact NH1-OG 3.41Å; R597-S627 VanDerWaalsContact NH1-OG 3.11Å; F623-S627 WeakPolarHBondContact O-CB 3.34Å; F623-S627 PolarHBondContact O-N 3.3Å; N624-S627 PolarHBondContact O-N 3.17Å; S627-F630 PolarHBondContact O-N 2.97Å; S627-A631 WeakPolarHBondContact O-CB 3.25Å; S627-A631 PolarHBondContact O-N 3.27Å |
| 628 | D | 97.5 | Very high | 95.5 | Very high | 2 Ų | 2 | 13 Ų | 13 | 1% | 0.011 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -66 | -48.6 | -178.2 | -77.3 | -5.9 | 0 | 0 | 0 | 111.5 | R597 V598 N624 F630 A631 F632 | R597-D628 WeakPolarHBondContact CA-OD2 3.34Å; R597-D628 HydrophobicContact CB-CB 4.46Å; R597-D628 WeakPolarHBondContact CB-OD1 3.25Å; R597-D628 WeakPolarHBondContact CG-OD1 3.05Å; R597-D628 IonicContact CZ-OD1 3.46Å; R597-D628 IonicContact NH1-OD1 3.86Å; R597-D628 PolarHBondContact NH1-OD1 3.04Å; V598-D628 PolarHBondContact N-OD2 3.41Å; N624-D628 WeakPolarHBondContact O-CB 3.32Å; N624-D628 PolarHBondContact O-N 2.97Å; D628-F630 VanDerWaalsContact C-N 3.28Å; D628-F630 PolarHBondContact O-N 3.24Å; D628-A631 WeakPolarHBondContact O-CB 3.08Å; D628-A631 PolarHBondContact O-N 3.33Å; D628-A631 VanDerWaalsContact O-N 3.11Å; D628-F632 HydrophobicContact CB-CE2 3.84Å; D628-F632 HydrophobicContact CB-CZ 4.28Å; D628-F632 WeakPolarHBondContact O-CD2 3.5Å; D628-F632 WeakPolarHBondContact O-CE2 3.34Å; D628-F632 VanDerWaalsContact O-CG 3.31Å; D628-F632 WeakPolarHBondContact O-CG 3.29Å; D628-F632 PolarHBondContact O-N 3.23Å |
| 629 | T | 97.1 | Very high | 95.7 | Very high | 6 Ų | 6 | 14.3 Ų | 14.3 | 4% | 0.037 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -58.7 | -42.2 | 179.3 | -52.5 | 0 | 0 | 0 | 0 | 111.1 | L605 V625 F632 V633 V638 Y643 | L605-T629 HydrophobicContact CD2-CG2 4.19Å; V625-T629 VanDerWaalsContact O-CB 3.25Å; V625-T629 WeakPolarHBondContact O-CB 3.41Å; V625-T629 PolarHBondContact O-N 3.06Å; V625-T629 PolarHBondContact O-OG1 3.33Å; T629-F632 PolarHBondContact O-N 3.04Å; T629-V633 WeakPolarHBondContact O-CG2 3.4Å; T629-V633 PolarHBondContact O-N 3.21Å; T629-V638 HydrophobicContact CG2-CG1 4.32Å; T629-Y643 HydrophobicContact CG2-CD2 3.71Å |
| 630 | F | 97.4 | Very high | 95.8 | Very high | 5 Ų | 5 | 13.4 Ų | 13.4 | 2% | 0.022 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -70 | -36 | 177.1 | -171.4 | -114.5 | 0 | 0 | 0 | 113.3 | C626 S627 D628 F632 V633 R634 Y643 S665 T668 L669 | C626-F630 PolarHBondContact O-N 3.31Å; C626-F630 VanDerWaalsContact O-N 3.09Å; S627-F630 PolarHBondContact O-N 2.97Å; D628-F630 VanDerWaalsContact C-N 3.28Å; D628-F630 PolarHBondContact O-N 3.24Å; F630-F632 VanDerWaalsContact C-N 3.28Å; F630-F632 PolarHBondContact O-N 3.31Å; F630-V633 HydrophobicContact CD2-CB 4.25Å; F630-V633 HydrophobicContact CE2-CG1 4.44Å; F630-V633 WeakPolarHBondContact O-CA 3.23Å; F630-V633 WeakPolarHBondContact O-CB 3.36Å; F630-V633 PolarHBondContact O-N 3.46Å; F630-V633 VanDerWaalsContact O-N 3.13Å; F630-R634 HydrophobicContact CD1-CG 4.41Å; F630-R634 HydrophobicContact CE1-CG 3.93Å; F630-R634 HydrophobicContact CZ-CG 4.08Å; F630-R634 PolarHBondContact O-N 2.9Å; F630-Y643 HydrophobicContact CB-CD2 4.33Å; F630-Y643 HydrophobicContact CB-CE1 4.21Å; F630-Y643 HydrophobicContact CB-CE2 3.8Å; F630-Y643 AromaticContact CD2-CD1 3.73Å; F630-Y643 HydrophobicContact CD2-CD1 3.73Å; F630-Y643 AromaticContact CD2-CE1 3.47Å; F630-Y643 HydrophobicContact CD2-CE1 3.47Å; F630-Y643 VanDerWaalsContact CD2-CE1 3.47Å; F630-Y643 HydrophobicContact CD2-CG 4.35Å; F630-Y643 AromaticContact CD2-CZ 3.91Å; F630-Y643 HydrophobicContact CE2-CD1 4.43Å; F630-Y643 HydrophobicContact CE2-CE1 4.22Å; F630-Y643 HydrophobicContact CG-CE1 4.13Å; F630-S665 VanDerWaalsContact CD1-CB 3.47Å; F630-S665 VanDerWaalsContact CG-CB 3.43Å; F630-T668 HydrophobicContact CE1-CG2 4.14Å; F630-T668 HydrophobicContact CZ-CG2 3.89Å; F630-L669 HydrophobicContact CE2-CD1 4.17Å; F630-L669 HydrophobicContact CE2-CD2 4.21Å; F630-L669 HydrophobicContact CE2-CG 3.95Å; F630-L669 HydrophobicContact CZ-CG 4.28Å |
| 631 | A | 97.1 | Very high | 95.8 | Very high | 6 Ų | 6 | 14.4 Ų | 14.4 | 5% | 0.05 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60.6 | -39.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.3 | F515 R597 S627 D628 V633 R634 A635 | F515-A631 HydrophobicContact CE1-CB 4.38Å; F515-A631 HydrophobicContact CZ-CB 3.86Å; R597-A631 VanDerWaalsContact CZ-CB 3.49Å; S627-A631 WeakPolarHBondContact O-CB 3.25Å; S627-A631 PolarHBondContact O-N 3.27Å; D628-A631 WeakPolarHBondContact O-CB 3.08Å; D628-A631 PolarHBondContact O-N 3.33Å; D628-A631 VanDerWaalsContact O-N 3.11Å; A631-V633 VanDerWaalsContact C-N 3.34Å; A631-V633 PolarHBondContact O-N 3.36Å; A631-R634 PolarHBondContact O-N 2.92Å; A631-A635 WeakPolarHBondContact O-CB 3.46Å; A631-A635 PolarHBondContact O-N 3.49Å |
| 632 | F | 97.3 | Very high | 95.8 | Very high | 4 Ų | 4 | 17.1 Ų | 17.1 | 2% | 0.018 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -68.1 | -30.7 | 173.5 | -56.5 | -43.1 | 0 | 0 | 0 | 113.4 | M494 F515 R597 V598 K599 D628 T629 F630 A635 G636 L637 V638 | M494-F632 HydrophobicContact CB-CE1 4.37Å; M494-F632 HydrophobicContact CG-CE1 3.63Å; M494-F632 HydrophobicContact CG-CZ 3.87Å; M494-F632 HydrophobicContact SD-CD1 3.69Å; M494-F632 HydrophobicContact SD-CE1 3.14Å; M494-F632 WeakPolarHBondContact SD-CE1 3.44Å; M494-F632 HydrophobicContact SD-CZ 3.82Å; F515-F632 HydrophobicContact CD2-CD1 4.24Å; F515-F632 AromaticContact CD2-CE1 3.91Å; F515-F632 HydrophobicContact CD2-CE1 3.91Å; F515-F632 AromaticContact CE2-CD1 3.67Å; F515-F632 HydrophobicContact CE2-CD1 3.67Å; F515-F632 AromaticContact CE2-CE1 3.75Å; F515-F632 HydrophobicContact CE2-CE1 3.75Å; R597-F632 HydrophobicContact CB-CE1 4.05Å; R597-F632 HydrophobicContact CB-CZ 3.66Å; V598-F632 WeakPolarHBondContact O-CE2 3.18Å; K599-F632 VanDerWaalsContact CA-CE2 3.41Å; K599-F632 HydrophobicContact CB-CD2 4.04Å; K599-F632 HydrophobicContact CB-CE1 4.13Å; K599-F632 HydrophobicContact CB-CE2 3.52Å; K599-F632 HydrophobicContact CB-CZ 3.57Å; K599-F632 HydrophobicContact CD-CG 4.48Å; K599-F632 HydrophobicContact CG-CD2 4.09Å; K599-F632 HydrophobicContact CG-CE2 4.09Å; K599-F632 HydrophobicContact CG-CG 4.46Å; K599-F632 HydrophobicContact CG-CZ 4.44Å; D628-F632 HydrophobicContact CB-CE2 3.84Å; D628-F632 HydrophobicContact CB-CZ 4.28Å; D628-F632 WeakPolarHBondContact O-CD2 3.5Å; D628-F632 WeakPolarHBondContact O-CE2 3.34Å; D628-F632 VanDerWaalsContact O-CG 3.31Å; D628-F632 WeakPolarHBondContact O-CG 3.29Å; D628-F632 PolarHBondContact O-N 3.23Å; T629-F632 PolarHBondContact O-N 3.04Å; F630-F632 VanDerWaalsContact C-N 3.28Å; F630-F632 PolarHBondContact O-N 3.31Å; F632-A635 PolarHBondContact O-N 3.11Å; F632-G636 PolarHBondContact O-N 3.43Å; F632-L637 HydrophobicContact CB-CB 4.13Å; F632-L637 HydrophobicContact CD1-CD1 4.14Å; F632-L637 PolarHBondContact O-N 3.49Å; F632-V638 HydrophobicContact CB-CB 3.96Å; F632-V638 HydrophobicContact CB-CG2 3.57Å; F632-V638 HydrophobicContact CD2-CG2 4.48Å; F632-V638 HydrophobicContact CG-CG2 4.4Å; F632-V638 PolarHBondContact O-N 2.86Å |
| 633 | V | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.6 | -52.1 | 167.5 | 172.6 | 0 | 0 | 0 | 0 | 110.3 | T629 F630 A631 A635 G636 V638 Y643 L953 R956 | T629-V633 WeakPolarHBondContact O-CG2 3.4Å; T629-V633 PolarHBondContact O-N 3.21Å; F630-V633 HydrophobicContact CD2-CB 4.25Å; F630-V633 HydrophobicContact CE2-CG1 4.44Å; F630-V633 WeakPolarHBondContact O-CA 3.23Å; F630-V633 WeakPolarHBondContact O-CB 3.36Å; F630-V633 PolarHBondContact O-N 3.46Å; F630-V633 VanDerWaalsContact O-N 3.13Å; A631-V633 VanDerWaalsContact C-N 3.34Å; A631-V633 PolarHBondContact O-N 3.36Å; V633-A635 PolarHBondContact O-N 3.05Å; V633-G636 PolarHBondContact O-N 3.26Å; V633-V638 WeakPolarHBondContact CA-O 3.33Å; V633-V638 HydrophobicContact CG2-CB 4.22Å; V633-V638 HydrophobicContact CG2-CG1 4.06Å; V633-Y643 HydrophobicContact CG2-CG 4.17Å; V633-L953 HydrophobicContact CG1-CD1 4.04Å; V633-R956 PolarHBondContact O-NH2 3.42Å |
| 634 | R | 94.7 | Very high | 95.7 | Very high | 28 Ų | 28 | 16.2 Ų | 16.2 | 11% | 0.106 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -55.9 | -42.4 | 178 | -70 | -171.6 | 69.8 | -135.3 | 1.7 | 111.7 | D517 F630 A631 G636 N946 | D517-R634 IonicContact OD2-CZ 3.99Å; D517-R634 IonicContact OD2-NH1 2.7Å; D517-R634 PolarHBondContact OD2-NH1 3.08Å; D517-R634 IonicContact OD2-NH2 2.99Å; F630-R634 HydrophobicContact CD1-CG 4.41Å; F630-R634 HydrophobicContact CE1-CG 3.93Å; F630-R634 HydrophobicContact CZ-CG 4.08Å; F630-R634 PolarHBondContact O-N 2.9Å; A631-R634 PolarHBondContact O-N 2.92Å; R634-G636 VanDerWaalsContact C-N 3.28Å; R634-G636 PolarHBondContact O-N 2.72Å; R634-N946 PolarHBondContact NH2-OD1 3.41Å |
| 635 | A | 95.9 | Very high | 95.5 | Very high | 8 Ų | 8 | 19.1 Ų | 19.1 | 7% | 0.066 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -71.4 | -11.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | F515 D517 G519 A631 F632 V633 L637 | F515-A635 HydrophobicContact CE2-CB 3.98Å; F515-A635 HydrophobicContact CZ-CB 4.14Å; D517-A635 VanDerWaalsContact O-CA 3.23Å; D517-A635 WeakPolarHBondContact O-CA 3.08Å; G519-A635 VanDerWaalsContact CA-O 3.28Å; G519-A635 WeakPolarHBondContact CA-O 3.18Å; A631-A635 WeakPolarHBondContact O-CB 3.46Å; A631-A635 PolarHBondContact O-N 3.49Å; F632-A635 PolarHBondContact O-N 3.11Å; V633-A635 PolarHBondContact O-N 3.05Å; A635-L637 VanDerWaalsContact C-N 3.3Å; A635-L637 HydrophobicContact CB-CD1 4.13Å; A635-L637 HydrophobicContact CB-CG 4.1Å |
| 636 | G | 95.6 | Very high | 95.3 | Very high | 36 Ų | 36 | 19.5 Ų | 19.5 | 37% | 0.371 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 16.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | F632 V633 R634 R956 | F632-G636 PolarHBondContact O-N 3.43Å; V633-G636 PolarHBondContact O-N 3.26Å; R634-G636 VanDerWaalsContact C-N 3.28Å; R634-G636 PolarHBondContact O-N 2.72Å; G636-R956 VanDerWaalsContact N-NH1 3.14Å |
| 637 | L | 94.6 | Very high | 95.2 | Very high | 53 Ų | 53 | 19.5 Ų | 19.5 | 28% | 0.277 | 12% | 0.122 | S | C | . | . | S | Bend | trans | -89.7 | -17.4 | 176.9 | -59.9 | 176 | 0 | 0 | 0 | 112 | M494 K599 F632 A635 | M494-L637 HydrophobicContact CE-CD1 3.96Å; M494-L637 HydrophobicContact SD-CD1 3.89Å; K599-L637 HydrophobicContact CD-CB 4.43Å; F632-L637 HydrophobicContact CB-CB 4.13Å; F632-L637 HydrophobicContact CD1-CD1 4.14Å; F632-L637 PolarHBondContact O-N 3.49Å; A635-L637 VanDerWaalsContact C-N 3.3Å; A635-L637 HydrophobicContact CB-CD1 4.13Å; A635-L637 HydrophobicContact CB-CG 4.1Å |
| 638 | V | 94.9 | Very high | 94.8 | Very high | 19 Ų | 19 | 24.3 Ų | 24.3 | 12% | 0.115 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -133.5 | 132.9 | 174.7 | 172.8 | 0 | 0 | 0 | 0 | 108.9 | T629 F632 V633 V642 | T629-V638 HydrophobicContact CG2-CG1 4.32Å; F632-V638 HydrophobicContact CB-CB 3.96Å; F632-V638 HydrophobicContact CB-CG2 3.57Å; F632-V638 HydrophobicContact CD2-CG2 4.48Å; F632-V638 HydrophobicContact CG-CG2 4.4Å; F632-V638 PolarHBondContact O-N 2.86Å; V633-V638 WeakPolarHBondContact CA-O 3.33Å; V633-V638 HydrophobicContact CG2-CB 4.22Å; V633-V638 HydrophobicContact CG2-CG1 4.06Å; V638-V642 HydrophobicContact CG1-CB 4.04Å; V638-V642 HydrophobicContact CG1-CG1 4.08Å |
| 639 | P | 94.1 | Very high | 94.4 | Very high | 70 Ų | 70 | 24.4 Ų | 24.4 | 46% | 0.455 | 14% | 0.142 | S | C | . | . | trans | -63.1 | 140 | 175.8 | -21.8 | 32.4 | 0 | 0 | 0 | 111.9 | T641 V642 Y643 | P639-T641 PolarHBondContact O-N 3.17Å; P639-V642 HydrophobicContact CB-CG2 4.08Å; P639-V642 HydrophobicContact CG-CG2 4.07Å; P639-V642 WeakPolarHBondContact O-CB 3.36Å; P639-V642 PolarHBondContact O-N 3.06Å; P639-V642 VanDerWaalsContact O-N 3.07Å; P639-Y643 PolarHBondContact O-N 2.96Å | ||
| 640 | S | 95.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.2 | -32.6 | 177.7 | 56.5 | 0 | 0 | 0 | 0 | 114 | V642 Y643 L644 D957 I961 | S640-V642 VanDerWaalsContact C-N 3.33Å; S640-V642 PolarHBondContact O-N 2.98Å; S640-Y643 PolarHBondContact O-N 3.26Å; S640-L644 WeakPolarHBondContact O-CG 3.31Å; S640-L644 PolarHBondContact O-N 3.15Å; S640-D957 WeakPolarHBondContact CB-OD1 3.39Å; S640-D957 PolarHBondContact N-OD1 3.02Å; S640-D957 VanDerWaalsContact N-OD1 3.12Å; S640-D957 WeakPolarHBondContact OG-CB 3.4Å; S640-D957 VanDerWaalsContact OG-CG 3.29Å; S640-D957 PolarHBondContact OG-OD1 2.99Å; S640-I961 VanDerWaalsContact OG-CG1 3.3Å; S640-I961 WeakPolarHBondContact OG-CG1 3.23Å |
| 641 | T | 94.1 | Very high | 94.1 | Very high | 34 Ų | 34 | 26.5 Ų | 26.5 | 21% | 0.209 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68 | -30.5 | 178.6 | 54.6 | 0 | 0 | 0 | 0 | 112.9 | P639 T645 N960 W964 | P639-T641 PolarHBondContact O-N 3.17Å; T641-T645 WeakPolarHBondContact O-CB 3.23Å; T641-T645 PolarHBondContact O-N 3.45Å; T641-T645 PolarHBondContact O-OG1 3.32Å; T641-N960 HydrophobicContact CG2-CB 3.98Å; T641-N960 WeakPolarHBondContact CG2-O 3.31Å; T641-W964 HydrophobicContact CG2-CB 3.76Å; T641-W964 HydrophobicContact CG2-CG 4.14Å |
| 642 | V | 93 | Very high | 93.9 | Very high | 62 Ų | 62 | 30.5 Ų | 30.5 | 38% | 0.376 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -65.1 | -46.6 | 171.3 | 174.3 | 0 | 0 | 0 | 0 | 109.2 | L605 V638 P639 S640 T645 F646 | L605-V642 HydrophobicContact CD2-CG1 4.25Å; V638-V642 HydrophobicContact CG1-CB 4.04Å; V638-V642 HydrophobicContact CG1-CG1 4.08Å; P639-V642 HydrophobicContact CB-CG2 4.08Å; P639-V642 HydrophobicContact CG-CG2 4.07Å; P639-V642 WeakPolarHBondContact O-CB 3.36Å; P639-V642 PolarHBondContact O-N 3.06Å; P639-V642 VanDerWaalsContact O-N 3.07Å; S640-V642 VanDerWaalsContact C-N 3.33Å; S640-V642 PolarHBondContact O-N 2.98Å; V642-T645 PolarHBondContact O-N 3.47Å; V642-F646 VanDerWaalsContact O-CB 3.23Å; V642-F646 WeakPolarHBondContact O-CB 3.37Å; V642-F646 PolarHBondContact O-N 3.27Å |
| 643 | Y | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.7 | -44.4 | 177.2 | 178.4 | -106.7 | 0 | 0 | 0 | 113.2 | C626 T629 F630 V633 P639 S640 T645 F646 L647 S665 | C626-Y643 PolarHBondContact SG-OH 3.05Å; T629-Y643 HydrophobicContact CG2-CD2 3.71Å; F630-Y643 HydrophobicContact CB-CD2 4.33Å; F630-Y643 HydrophobicContact CB-CE1 4.21Å; F630-Y643 HydrophobicContact CB-CE2 3.8Å; F630-Y643 AromaticContact CD2-CD1 3.73Å; F630-Y643 HydrophobicContact CD2-CD1 3.73Å; F630-Y643 AromaticContact CD2-CE1 3.47Å; F630-Y643 HydrophobicContact CD2-CE1 3.47Å; F630-Y643 VanDerWaalsContact CD2-CE1 3.47Å; F630-Y643 HydrophobicContact CD2-CG 4.35Å; F630-Y643 AromaticContact CD2-CZ 3.91Å; F630-Y643 HydrophobicContact CE2-CD1 4.43Å; F630-Y643 HydrophobicContact CE2-CE1 4.22Å; F630-Y643 HydrophobicContact CG-CE1 4.13Å; V633-Y643 HydrophobicContact CG2-CG 4.17Å; P639-Y643 PolarHBondContact O-N 2.96Å; S640-Y643 PolarHBondContact O-N 3.26Å; Y643-T645 VanDerWaalsContact C-N 3.26Å; Y643-T645 PolarHBondContact O-N 3.21Å; Y643-F646 CarbonylContact O-C 3.35Å; Y643-F646 WeakPolarHBondContact O-CB 3.48Å; Y643-F646 PolarHBondContact O-N 3.29Å; Y643-F646 VanDerWaalsContact O-N 3.12Å; Y643-L647 HydrophobicContact CD1-CD1 4.19Å; Y643-L647 HydrophobicContact CD1-CG 4.33Å; Y643-L647 HydrophobicContact CE1-CD1 3.65Å; Y643-L647 HydrophobicContact CE1-CD2 4.25Å; Y643-L647 HydrophobicContact CE1-CG 3.9Å; Y643-L647 HydrophobicContact CE2-CD2 4.19Å; Y643-L647 HydrophobicContact CE2-CG 4.32Å; Y643-L647 WeakPolarHBondContact O-CG 3.36Å; Y643-L647 PolarHBondContact O-N 3.38Å; Y643-S665 WeakPolarHBondContact CE1-OG 3.45Å; Y643-S665 VanDerWaalsContact OH-CB 3.24Å; Y643-S665 WeakPolarHBondContact OH-CB 3.44Å; Y643-S665 PolarHBondContact OH-OG 3.25Å |
| 644 | L | 94.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.2 | -36.3 | 176.5 | -70.8 | 173.3 | 0 | 0 | 0 | 112.2 | S640 L669 F682 F685 I961 W964 | S640-L644 WeakPolarHBondContact O-CG 3.31Å; S640-L644 PolarHBondContact O-N 3.15Å; L644-L669 HydrophobicContact CD2-CD1 4.03Å; L644-F682 HydrophobicContact CD2-CE2 4.22Å; L644-F685 HydrophobicContact CD2-CE1 3.87Å; L644-F685 HydrophobicContact CD2-CZ 4.26Å; L644-I961 HydrophobicContact CD1-CG1 4.14Å; L644-I961 HydrophobicContact CD1-CG2 4.3Å; L644-W964 HydrophobicContact CB-CD2 4.26Å; L644-W964 HydrophobicContact CB-CE3 4.37Å; L644-W964 HydrophobicContact CB-CH2 3.89Å; L644-W964 HydrophobicContact CB-CZ2 3.75Å; L644-W964 HydrophobicContact CB-CZ3 4.2Å; L644-W964 HydrophobicContact CD1-CD2 4.25Å; L644-W964 HydrophobicContact CD1-CE3 3.94Å; L644-W964 HydrophobicContact CD1-CZ3 4.18Å |
| 645 | T | 91.7 | Very high | 93.7 | Very high | 64 Ų | 64 | 32.4 Ų | 32.4 | 39% | 0.393 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -71.1 | -41.1 | 173.6 | -54.9 | 0 | 0 | 0 | 0 | 111 | T641 V642 Y643 L647 R648 W964 | T641-T645 WeakPolarHBondContact O-CB 3.23Å; T641-T645 PolarHBondContact O-N 3.45Å; T641-T645 PolarHBondContact O-OG1 3.32Å; V642-T645 PolarHBondContact O-N 3.47Å; Y643-T645 VanDerWaalsContact C-N 3.26Å; Y643-T645 PolarHBondContact O-N 3.21Å; T645-L647 VanDerWaalsContact C-N 3.31Å; T645-L647 PolarHBondContact O-N 2.75Å; T645-R648 VanDerWaalsContact O-CB 3.28Å; T645-R648 WeakPolarHBondContact O-CB 3.22Å; T645-R648 WeakPolarHBondContact O-CG 3.28Å; T645-R648 PolarHBondContact O-N 3.38Å; T645-R648 VanDerWaalsContact O-N 3.14Å; T645-W964 PolarHBondContact OG1-NE1 2.74Å |
| 646 | F | 91.9 | Very high | 93.5 | Very high | 9 Ų | 9 | 32.4 Ų | 32.4 | 4% | 0.039 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.5 | -35.6 | 177.1 | -176 | -103.5 | 0 | 0 | 0 | 112.5 | L605 L609 I612 V625 V642 Y643 R648 G649 Y650 | L605-F646 HydrophobicContact CD1-CD2 4.01Å; L605-F646 HydrophobicContact CD1-CE1 4.38Å; L605-F646 HydrophobicContact CD1-CE2 3.54Å; L605-F646 HydrophobicContact CD1-CZ 3.76Å; L605-F646 HydrophobicContact CD2-CD2 4.48Å; L605-F646 HydrophobicContact CG-CD2 3.98Å; L605-F646 HydrophobicContact CG-CE2 3.91Å; L609-F646 HydrophobicContact CD2-CD2 3.49Å; L609-F646 VanDerWaalsContact CD2-CD2 3.49Å; L609-F646 HydrophobicContact CD2-CE2 3.59Å; L609-F646 HydrophobicContact CD2-CG 4.32Å; L609-F646 HydrophobicContact CG-CD2 4.05Å; L609-F646 HydrophobicContact CG-CE2 4Å; I612-F646 HydrophobicContact CD1-CE1 4.33Å; I612-F646 HydrophobicContact CD1-CE2 4.15Å; I612-F646 HydrophobicContact CD1-CZ 3.47Å; I612-F646 VanDerWaalsContact CD1-CZ 3.47Å; V625-F646 HydrophobicContact CG1-CE1 3.78Å; V625-F646 HydrophobicContact CG1-CE2 4.49Å; V625-F646 HydrophobicContact CG1-CZ 3.44Å; V625-F646 VanDerWaalsContact CG1-CZ 3.44Å; V642-F646 VanDerWaalsContact O-CB 3.23Å; V642-F646 WeakPolarHBondContact O-CB 3.37Å; V642-F646 PolarHBondContact O-N 3.27Å; Y643-F646 CarbonylContact O-C 3.35Å; Y643-F646 WeakPolarHBondContact O-CB 3.48Å; Y643-F646 PolarHBondContact O-N 3.29Å; Y643-F646 VanDerWaalsContact O-N 3.12Å; F646-R648 PolarHBondContact O-N 2.84Å; F646-R648 VanDerWaalsContact O-N 3.12Å; F646-G649 PolarHBondContact O-N 3.18Å; F646-Y650 AromaticContact CD1-CE2 3.99Å; F646-Y650 HydrophobicContact CD1-CE2 3.99Å; F646-Y650 AromaticContact CE1-CE2 3.51Å; F646-Y650 HydrophobicContact CE1-CE2 3.51Å; F646-Y650 HydrophobicContact CZ-CE2 4.1Å |
| 647 | L | 94.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -57.3 | -25.4 | 174.5 | -80.2 | -178.2 | 0 | 0 | 0 | 113.2 | Y643 T645 G649 Y650 V662 I666 F689 | Y643-L647 HydrophobicContact CD1-CD1 4.19Å; Y643-L647 HydrophobicContact CD1-CG 4.33Å; Y643-L647 HydrophobicContact CE1-CD1 3.65Å; Y643-L647 HydrophobicContact CE1-CD2 4.25Å; Y643-L647 HydrophobicContact CE1-CG 3.9Å; Y643-L647 HydrophobicContact CE2-CD2 4.19Å; Y643-L647 HydrophobicContact CE2-CG 4.32Å; Y643-L647 WeakPolarHBondContact O-CG 3.36Å; Y643-L647 PolarHBondContact O-N 3.38Å; T645-L647 VanDerWaalsContact C-N 3.31Å; T645-L647 PolarHBondContact O-N 2.75Å; L647-G649 PolarHBondContact O-N 3.13Å; L647-G649 VanDerWaalsContact O-N 3.1Å; L647-Y650 WeakPolarHBondContact O-CA 3.44Å; L647-Y650 WeakPolarHBondContact O-CB 3.4Å; L647-Y650 PolarHBondContact O-N 3.44Å; L647-V662 HydrophobicContact CD2-CG1 4.31Å; L647-V662 HydrophobicContact CD2-CG2 3.99Å; L647-I666 HydrophobicContact CD1-CD1 4.15Å; L647-F689 HydrophobicContact CB-CE2 4.41Å; L647-F689 HydrophobicContact CB-CZ 4.19Å; L647-F689 WeakPolarHBondContact O-CE2 3.3Å; L647-F689 WeakPolarHBondContact O-CZ 3.27Å |
| 648 | R | 86.5 | Confident | 93.3 | Very high | 104 Ų | 104 | 28.1 Ų | 28.1 | 39% | 0.392 | 15% | 0.153 | S | C | . | . | G | 310 helix | trans | -60.6 | -20.1 | 172.5 | -60.7 | -179.6 | 178.9 | 175.2 | -0.5 | 112.8 | T645 F646 Y650 E651 | T645-R648 VanDerWaalsContact O-CB 3.28Å; T645-R648 WeakPolarHBondContact O-CB 3.22Å; T645-R648 WeakPolarHBondContact O-CG 3.28Å; T645-R648 PolarHBondContact O-N 3.38Å; T645-R648 VanDerWaalsContact O-N 3.14Å; F646-R648 PolarHBondContact O-N 2.84Å; F646-R648 VanDerWaalsContact O-N 3.12Å; R648-Y650 PolarHBondContact O-N 3.46Å; R648-E651 WeakPolarHBondContact O-CG 3.46Å |
| 649 | G | 89.5 | Confident | 93.3 | Very high | 5 Ų | 5 | 27.3 Ų | 27.3 | 5% | 0.052 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -63.9 | -18.5 | 169 | 0 | 0 | 0 | 0 | 0 | 114.7 | K613 F646 L647 | K613-G649 VanDerWaalsContact CG-O 3.3Å; K613-G649 WeakPolarHBondContact CG-O 3.39Å; F646-G649 PolarHBondContact O-N 3.18Å; L647-G649 PolarHBondContact O-N 3.13Å; L647-G649 VanDerWaalsContact O-N 3.1Å |
| 650 | Y | 95.7 | Very high | 93 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.008 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -108.5 | 10.2 | -175.1 | -65.1 | -99 | 0 | 0 | 0 | 113 | I612 R622 C626 F646 L647 R648 D652 E653 V658 | I612-Y650 HydrophobicContact CD1-CE2 4.29Å; I612-Y650 HydrophobicContact CG2-CD1 4.12Å; I612-Y650 HydrophobicContact CG2-CD2 4.2Å; I612-Y650 HydrophobicContact CG2-CE1 3.85Å; I612-Y650 HydrophobicContact CG2-CE2 3.89Å; I612-Y650 HydrophobicContact CG2-CG 4.31Å; R622-Y650 HydrophobicContact CB-CE1 4.12Å; R622-Y650 PolarHBondContact O-OH 2.89Å; C626-Y650 HydrophobicContact CB-CE1 4.31Å; F646-Y650 AromaticContact CD1-CE2 3.99Å; F646-Y650 HydrophobicContact CD1-CE2 3.99Å; F646-Y650 AromaticContact CE1-CE2 3.51Å; F646-Y650 HydrophobicContact CE1-CE2 3.51Å; F646-Y650 HydrophobicContact CZ-CE2 4.1Å; L647-Y650 WeakPolarHBondContact O-CA 3.44Å; L647-Y650 WeakPolarHBondContact O-CB 3.4Å; L647-Y650 PolarHBondContact O-N 3.44Å; R648-Y650 PolarHBondContact O-N 3.46Å; Y650-D652 PolarHBondContact O-N 2.92Å; Y650-E653 HydrophobicContact CD1-CB 4.32Å; Y650-E653 HydrophobicContact CD1-CG 4.3Å; Y650-E653 WeakPolarHBondContact O-CB 3.44Å; Y650-E653 PolarHBondContact O-N 3.43Å; Y650-V658 HydrophobicContact CD1-CG1 3.51Å; Y650-V658 HydrophobicContact CE1-CG1 3.5Å; Y650-V658 VanDerWaalsContact CE1-CG1 3.5Å |
| 651 | E | 93.2 | Very high | 93 | Very high | 52 Ų | 52 | 24.6 Ų | 24.6 | 24% | 0.243 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -32.1 | 179.3 | -77.8 | 178.8 | -166.3 | 0 | 0 | 113.7 | R648 F689 K692 | R648-E651 WeakPolarHBondContact O-CG 3.46Å; E651-F689 HydrophobicContact CG-CD2 3.96Å; E651-F689 HydrophobicContact CG-CE2 3.88Å; E651-K692 HydrophobicContact CB-CD 4.2Å; E651-K692 WeakPolarHBondContact O-CD 3.47Å; E651-K692 IonicContact OE2-NZ 3.5Å; E651-K692 PolarHBondContact OE2-NZ 2.94Å; E651-K692 VanDerWaalsContact OE2-NZ 3.11Å |
| 652 | D | 93.4 | Very high | 93 | Very high | 91 Ų | 91 | 23 Ų | 23 | 49% | 0.487 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 11.8 | 178.4 | -54.3 | -43.6 | 0 | 0 | 0 | 112 | K615 Y650 K692 | K615-D652 WeakPolarHBondContact CE-O 3.31Å; K615-D652 PolarHBondContact NZ-O 3.49Å; Y650-D652 PolarHBondContact O-N 2.92Å; D652-K692 WeakPolarHBondContact OD1-CD 3.27Å; D652-K692 IonicContact OD1-NZ 2.7Å; D652-K692 PolarHBondContact OD1-NZ 3.32Å; D652-K692 IonicContact OD2-NZ 3.8Å |
| 653 | E | 95.9 | Very high | 93.1 | Very high | 5 Ų | 5 | 20.1 Ų | 20.1 | 2% | 0.023 | 10% | 0.103 | C | C | . | . | trans | -64.8 | 143.1 | 177.8 | -177.2 | 56.7 | -96.1 | 0 | 0 | 111.4 | R622 Y650 D655 V658 W659 | R622-E653 IonicContact CZ-OE1 3.44Å; R622-E653 IonicContact CZ-OE2 3.23Å; R622-E653 IonicContact NE-OE1 3.38Å; R622-E653 IonicContact NE-OE2 2.72Å; R622-E653 PolarHBondContact NE-OE2 2.86Å; R622-E653 IonicContact NH2-OE1 2.68Å; R622-E653 PolarHBondContact NH2-OE1 2.9Å; R622-E653 IonicContact NH2-OE2 2.84Å; R622-E653 PolarHBondContact NH2-OE2 3.09Å; R622-E653 VanDerWaalsContact NH2-OE2 3.13Å; Y650-E653 HydrophobicContact CD1-CB 4.32Å; Y650-E653 HydrophobicContact CD1-CG 4.3Å; Y650-E653 WeakPolarHBondContact O-CB 3.44Å; Y650-E653 PolarHBondContact O-N 3.43Å; E653-D655 WeakPolarHBondContact OE1-CB 3.46Å; E653-D655 PolarHBondContact OE1-N 3.12Å; E653-V658 HydrophobicContact CG-CB 3.82Å; E653-V658 HydrophobicContact CG-CG1 3.67Å; E653-W659 PolarHBondContact O-NE1 3.42Å | ||
| 654 | T | 94.1 | Very high | 92.7 | Very high | 43 Ų | 43 | 21.5 Ų | 21.5 | 26% | 0.264 | 11% | 0.113 | S | C | . | . | trans | -130.3 | -14 | -176.9 | 49.7 | 0 | 0 | 0 | 0 | 113.3 | K615 L728 | K615-T654 PolarHBondContact NZ-OG1 3.3Å; T654-L728 WeakPolarHBondContact O-CD2 3.39Å | ||
| 655 | D | 93.6 | Very high | 92.7 | Very high | 23 Ų | 23 | 21.5 Ų | 21.5 | 12% | 0.123 | 11% | 0.113 | C | C | . | . | trans | -76.7 | 133.8 | -175.3 | -174.2 | -91.9 | 0 | 0 | 0 | 112.9 | A619 E653 N657 V658 W659 | A619-D655 HydrophobicContact CB-CB 4.04Å; A619-D655 WeakPolarHBondContact CB-OD2 3.04Å; E653-D655 WeakPolarHBondContact OE1-CB 3.46Å; E653-D655 PolarHBondContact OE1-N 3.12Å; D655-N657 PolarHBondContact O-N 3.49Å; D655-N657 WeakPolarHBondContact OD1-CA 3.35Å; D655-N657 VanDerWaalsContact OD1-CB 3.27Å; D655-N657 WeakPolarHBondContact OD1-CB 3.44Å; D655-N657 PolarHBondContact OD1-N 3.49Å; D655-V658 HydrophobicContact CB-CB 4.28Å; D655-V658 HydrophobicContact CB-CG2 3.88Å; D655-V658 PolarHBondContact O-N 2.94Å; D655-V658 PolarHBondContact OD1-N 3.44Å; D655-W659 VanDerWaalsContact O-CD1 3.31Å; D655-W659 PolarHBondContact O-N 2.79Å | ||
| 656 | F | 91.2 | Very high | 92.8 | Very high | 8 Ų | 8 | 18.5 Ų | 18.5 | 4% | 0.035 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -58.2 | -44 | 180 | 165.4 | -105.1 | 0 | 0 | 0 | 113.2 | Q387 W659 A660 T724 L727 L728 I731 | Q387-F656 HydrophobicContact CG-CD1 4.19Å; Q387-F656 HydrophobicContact CG-CE1 4.11Å; F656-W659 PolarHBondContact O-N 3.42Å; F656-A660 WeakPolarHBondContact O-CB 3.28Å; F656-A660 PolarHBondContact O-N 2.9Å; F656-T724 HydrophobicContact CB-CG2 4.26Å; F656-L727 HydrophobicContact CD1-CD1 4.17Å; F656-L727 HydrophobicContact CD2-CB 3.59Å; F656-L727 HydrophobicContact CE1-CB 4.5Å; F656-L727 HydrophobicContact CE1-CD1 3.95Å; F656-L727 HydrophobicContact CE2-CB 3.45Å; F656-L727 VanDerWaalsContact CE2-CB 3.45Å; F656-L727 HydrophobicContact CE2-CD1 4.38Å; F656-L727 HydrophobicContact CG-CB 4.17Å; F656-L727 HydrophobicContact CG-CD1 4.48Å; F656-L727 HydrophobicContact CZ-CB 3.96Å; F656-L727 HydrophobicContact CZ-CD1 4.06Å; F656-L728 HydrophobicContact CB-CB 4.41Å; F656-L728 HydrophobicContact CD2-CB 4.11Å; F656-I731 HydrophobicContact CD2-CD1 4.14Å; F656-I731 HydrophobicContact CE2-CD1 3.67Å |
| 657 | N | 91 | Very high | 92.7 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -69.4 | -42.7 | -174.8 | -62.2 | -59.3 | 0 | 0 | 0 | 110.9 | Q387 S390 F623 D655 A660 E661 | Q387-N657 VanDerWaalsContact CA-OD1 3.26Å; Q387-N657 WeakPolarHBondContact CA-OD1 3.41Å; S390-N657 PolarHBondContact OG-OD1 3.47Å; F623-N657 HydrophobicContact CD2-CB 4.48Å; F623-N657 VanDerWaalsContact CD2-O 3.3Å; F623-N657 WeakPolarHBondContact CD2-O 3.28Å; D655-N657 PolarHBondContact O-N 3.49Å; D655-N657 WeakPolarHBondContact OD1-CA 3.35Å; D655-N657 VanDerWaalsContact OD1-CB 3.27Å; D655-N657 WeakPolarHBondContact OD1-CB 3.44Å; D655-N657 PolarHBondContact OD1-N 3.49Å; N657-A660 PolarHBondContact O-N 3.18Å; N657-E661 PolarHBondContact O-N 2.85Å |
| 658 | V | 95.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.8 | -47.6 | 175.4 | -173.6 | 0 | 0 | 0 | 0 | 110.3 | A619 R622 F623 Y650 E653 D655 A660 E661 V662 | A619-V658 VanDerWaalsContact O-CG2 3.31Å; A619-V658 WeakPolarHBondContact O-CG2 3.23Å; R622-V658 HydrophobicContact CB-CG2 4.09Å; F623-V658 HydrophobicContact CB-CG2 4.09Å; Y650-V658 HydrophobicContact CD1-CG1 3.51Å; Y650-V658 HydrophobicContact CE1-CG1 3.5Å; Y650-V658 VanDerWaalsContact CE1-CG1 3.5Å; E653-V658 HydrophobicContact CG-CB 3.82Å; E653-V658 HydrophobicContact CG-CG1 3.67Å; D655-V658 HydrophobicContact CB-CB 4.28Å; D655-V658 HydrophobicContact CB-CG2 3.88Å; D655-V658 PolarHBondContact O-N 2.94Å; D655-V658 PolarHBondContact OD1-N 3.44Å; V658-A660 VanDerWaalsContact C-N 3.32Å; V658-A660 PolarHBondContact O-N 2.62Å; V658-E661 PolarHBondContact O-N 3.4Å; V658-V662 HydrophobicContact CG1-CG2 4.46Å; V658-V662 WeakPolarHBondContact O-CG2 3.2Å; V658-V662 PolarHBondContact O-N 2.86Å |
| 659 | W | 94.7 | Very high | 92.8 | Very high | 1 Ų | 1 | 16.2 Ų | 16.2 | 0% | 0.004 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.9 | -31.6 | 177.2 | -87.5 | 110 | 0 | 0 | 0 | 113.8 | E653 D655 F656 E661 V662 D663 F689 Y690 I693 L728 I732 | E653-W659 PolarHBondContact O-NE1 3.42Å; D655-W659 VanDerWaalsContact O-CD1 3.31Å; D655-W659 PolarHBondContact O-N 2.79Å; F656-W659 PolarHBondContact O-N 3.42Å; W659-E661 VanDerWaalsContact C-N 3.34Å; W659-V662 HydrophobicContact CE3-CB 4.21Å; W659-V662 HydrophobicContact CE3-CG1 3.86Å; W659-V662 HydrophobicContact CZ3-CG1 3.81Å; W659-V662 PolarHBondContact O-N 3.4Å; W659-D663 WeakPolarHBondContact O-CB 3.24Å; W659-D663 PolarHBondContact O-N 2.9Å; W659-F689 HydrophobicContact CH2-CD1 4.19Å; W659-F689 AromaticContact CH2-CE1 3.75Å; W659-F689 HydrophobicContact CH2-CE1 3.75Å; W659-F689 HydrophobicContact CH2-CZ 4.18Å; W659-F689 HydrophobicContact CZ3-CD1 4.28Å; W659-F689 AromaticContact CZ3-CE1 3.81Å; W659-F689 HydrophobicContact CZ3-CE1 3.81Å; W659-Y690 HydrophobicContact CE3-CE1 4.24Å; W659-Y690 HydrophobicContact CZ3-CD1 4.12Å; W659-Y690 HydrophobicContact CZ3-CD2 4.08Å; W659-Y690 AromaticContact CZ3-CE1 3.91Å; W659-Y690 HydrophobicContact CZ3-CE1 3.91Å; W659-Y690 AromaticContact CZ3-CE2 3.86Å; W659-Y690 HydrophobicContact CZ3-CE2 3.86Å; W659-Y690 HydrophobicContact CZ3-CG 4.2Å; W659-Y690 AromaticContact CZ3-CZ 3.77Å; W659-I693 HydrophobicContact CH2-CB 4.4Å; W659-I693 HydrophobicContact CH2-CG2 3.69Å; W659-I693 HydrophobicContact CZ2-CB 3.68Å; W659-I693 HydrophobicContact CZ2-CG1 4.17Å; W659-I693 HydrophobicContact CZ2-CG2 3.47Å; W659-I693 VanDerWaalsContact CZ2-CG2 3.47Å; W659-I693 HydrophobicContact CZ3-CG2 4.34Å; W659-L728 HydrophobicContact CB-CD1 3.32Å; W659-L728 HydrophobicContact CB-CD2 4.44Å; W659-L728 HydrophobicContact CG-CD1 3.74Å; W659-L728 HydrophobicContact CG-CD2 4.21Å; W659-I732 HydrophobicContact CD2-CD1 4.02Å; W659-I732 HydrophobicContact CE3-CD1 3.85Å; W659-I732 HydrophobicContact CG-CD1 4.45Å; W659-I732 HydrophobicContact CZ3-CD1 4.29Å |
| 660 | A | 89.1 | Confident | 92.8 | Very high | 9 Ų | 9 | 16 Ų | 16 | 7% | 0.074 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.1 | -39.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F656 N657 V658 S664 I731 L771 | F656-A660 WeakPolarHBondContact O-CB 3.28Å; F656-A660 PolarHBondContact O-N 2.9Å; N657-A660 PolarHBondContact O-N 3.18Å; V658-A660 VanDerWaalsContact C-N 3.32Å; V658-A660 PolarHBondContact O-N 2.62Å; A660-S664 WeakPolarHBondContact O-CB 3.48Å; A660-S664 PolarHBondContact O-N 3.34Å; A660-I731 HydrophobicContact CB-CD1 4.39Å; A660-L771 HydrophobicContact CB-CD2 4.39Å; A660-L771 VanDerWaalsContact O-CD2 3.29Å; A660-L771 WeakPolarHBondContact O-CD2 3.42Å |
| 661 | E | 93.7 | Very high | 92.5 | Very high | 5 Ų | 5 | 16.2 Ų | 16.2 | 2% | 0.023 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -73.8 | -40.3 | 175.5 | -167.7 | 60.4 | -132.1 | 0 | 0 | 112.2 | S394 K398 F623 N657 V658 W659 D663 S664 S665 | S394-E661 PolarHBondContact OG-OE2 2.72Å; K398-E661 IonicContact NZ-OE1 2.9Å; K398-E661 PolarHBondContact NZ-OE1 3.29Å; K398-E661 IonicContact NZ-OE2 2.61Å; K398-E661 PolarHBondContact NZ-OE2 3.14Å; K398-E661 VanDerWaalsContact NZ-OE2 3.16Å; F623-E661 HydrophobicContact CD2-CB 3.79Å; F623-E661 HydrophobicContact CD2-CG 4.49Å; F623-E661 HydrophobicContact CE2-CB 3.65Å; F623-E661 HydrophobicContact CE2-CG 4.18Å; N657-E661 PolarHBondContact O-N 2.85Å; V658-E661 PolarHBondContact O-N 3.4Å; W659-E661 VanDerWaalsContact C-N 3.34Å; E661-D663 PolarHBondContact O-N 3.42Å; E661-S664 WeakPolarHBondContact O-CB 3.23Å; E661-S664 PolarHBondContact O-N 2.93Å; E661-S665 PolarHBondContact O-N 3.33Å |
| 662 | V | 95.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 13.9 Ų | 13.9 | 1% | 0.006 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -58.2 | -46.7 | 173.2 | 169.6 | 0 | 0 | 0 | 0 | 110.8 | L647 V658 W659 S664 S665 I666 F689 | L647-V662 HydrophobicContact CD2-CG1 4.31Å; L647-V662 HydrophobicContact CD2-CG2 3.99Å; V658-V662 HydrophobicContact CG1-CG2 4.46Å; V658-V662 WeakPolarHBondContact O-CG2 3.2Å; V658-V662 PolarHBondContact O-N 2.86Å; W659-V662 HydrophobicContact CE3-CB 4.21Å; W659-V662 HydrophobicContact CE3-CG1 3.86Å; W659-V662 HydrophobicContact CZ3-CG1 3.81Å; W659-V662 PolarHBondContact O-N 3.4Å; V662-S664 VanDerWaalsContact C-N 3.33Å; V662-S664 PolarHBondContact O-N 3Å; V662-S665 PolarHBondContact O-N 2.9Å; V662-S665 PolarHBondContact O-OG 3.33Å; V662-I666 VanDerWaalsContact O-CG1 3.27Å; V662-I666 WeakPolarHBondContact O-CG1 3.39Å; V662-I666 PolarHBondContact O-N 3.39Å; V662-F689 HydrophobicContact CG1-CE1 3.69Å; V662-F689 HydrophobicContact CG1-CZ 4.42Å |
| 663 | D | 93.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 9.8 Ų | 9.8 | 1% | 0.005 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -67 | -35.4 | 177.7 | -170.5 | 70.8 | 0 | 0 | 0 | 112.4 | W659 E661 S665 I666 Q667 Y690 I731 R734 R735 | W659-D663 WeakPolarHBondContact O-CB 3.24Å; W659-D663 PolarHBondContact O-N 2.9Å; E661-D663 PolarHBondContact O-N 3.42Å; D663-S665 VanDerWaalsContact C-N 3.34Å; D663-I666 PolarHBondContact O-N 2.96Å; D663-Q667 VanDerWaalsContact O-CB 3.24Å; D663-Q667 WeakPolarHBondContact O-CB 3.33Å; D663-Q667 PolarHBondContact O-N 3.33Å; D663-Y690 WeakPolarHBondContact CA-OH 3.49Å; D663-Y690 PolarHBondContact OD1-OH 2.65Å; D663-I731 HydrophobicContact CB-CG2 3.58Å; D663-R734 IonicContact OD1-NH2 3.83Å; D663-R734 IonicContact OD2-CZ 2.93Å; D663-R734 IonicContact OD2-NH1 3.81Å; D663-R734 IonicContact OD2-NH2 2.78Å; D663-R734 PolarHBondContact OD2-NH2 2.89Å; D663-R735 IonicContact OD1-CZ 3.65Å; D663-R735 IonicContact OD1-NE 2.67Å; D663-R735 PolarHBondContact OD1-NE 3.45Å; D663-R735 IonicContact OD1-NH2 2.78Å; D663-R735 PolarHBondContact OD1-NH2 2.77Å; D663-R735 IonicContact OD2-NH2 2.82Å; D663-R735 PolarHBondContact OD2-NH2 3.47Å |
| 664 | S | 88.5 | Confident | 92 | Very high | 29 Ų | 29 | 10.9 Ų | 10.9 | 20% | 0.203 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -61.3 | -41.5 | 173.7 | 178 | 0 | 0 | 0 | 0 | 111.8 | K398 A660 E661 V662 T668 | K398-S664 PolarHBondContact NZ-OG 3.22Å; A660-S664 WeakPolarHBondContact O-CB 3.48Å; A660-S664 PolarHBondContact O-N 3.34Å; E661-S664 WeakPolarHBondContact O-CB 3.23Å; E661-S664 PolarHBondContact O-N 2.93Å; V662-S664 VanDerWaalsContact C-N 3.33Å; V662-S664 PolarHBondContact O-N 3Å; S664-T668 PolarHBondContact O-N 2.95Å; S664-T668 VanDerWaalsContact O-N 3.12Å; S664-T668 PolarHBondContact O-OG1 3.19Å |
| 665 | S | 94.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -70.2 | -44 | 178.5 | 71.5 | 0 | 0 | 0 | 0 | 111.9 | F630 Y643 E661 V662 D663 Q667 T668 L669 | F630-S665 VanDerWaalsContact CD1-CB 3.47Å; F630-S665 VanDerWaalsContact CG-CB 3.43Å; Y643-S665 WeakPolarHBondContact CE1-OG 3.45Å; Y643-S665 VanDerWaalsContact OH-CB 3.24Å; Y643-S665 WeakPolarHBondContact OH-CB 3.44Å; Y643-S665 PolarHBondContact OH-OG 3.25Å; E661-S665 PolarHBondContact O-N 3.33Å; V662-S665 PolarHBondContact O-N 2.9Å; V662-S665 PolarHBondContact O-OG 3.33Å; D663-S665 VanDerWaalsContact C-N 3.34Å; S665-Q667 VanDerWaalsContact C-N 3.33Å; S665-Q667 PolarHBondContact O-N 3.4Å; S665-T668 PolarHBondContact O-N 3.22Å; S665-L669 WeakPolarHBondContact O-CG 3.17Å; S665-L669 PolarHBondContact O-N 3.35Å |
| 666 | I | 94.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -59.7 | -42.6 | 174 | -67 | -63.2 | 0 | 0 | 0 | 111.2 | L647 V662 D663 T668 L669 R670 F682 F685 V686 Y690 | L647-I666 HydrophobicContact CD1-CD1 4.15Å; V662-I666 VanDerWaalsContact O-CG1 3.27Å; V662-I666 WeakPolarHBondContact O-CG1 3.39Å; V662-I666 PolarHBondContact O-N 3.39Å; D663-I666 PolarHBondContact O-N 2.96Å; I666-T668 VanDerWaalsContact C-N 3.32Å; I666-T668 PolarHBondContact O-N 3.5Å; I666-L669 PolarHBondContact O-N 3.45Å; I666-R670 VanDerWaalsContact O-CB 3.28Å; I666-R670 WeakPolarHBondContact O-CB 3.28Å; I666-R670 PolarHBondContact O-N 2.91Å; I666-F682 HydrophobicContact CD1-CZ 3.88Å; I666-F682 HydrophobicContact CG2-CE1 4.07Å; I666-F682 HydrophobicContact CG2-CZ 4.36Å; I666-F685 HydrophobicContact CD1-CE1 3.91Å; I666-V686 HydrophobicContact CG2-CG1 4.5Å; I666-V686 HydrophobicContact CG2-CG2 3.69Å; I666-Y690 HydrophobicContact CG1-CE2 4.36Å |
| 667 | Q | 89.1 | Confident | 91.4 | Very high | 31 Ų | 31 | 20.6 Ų | 20.6 | 15% | 0.145 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.1 | -41.5 | 176.3 | -178.8 | 59.6 | 73.8 | 0 | 0 | 112.2 | D663 S665 N671 | D663-Q667 VanDerWaalsContact O-CB 3.24Å; D663-Q667 WeakPolarHBondContact O-CB 3.33Å; D663-Q667 PolarHBondContact O-N 3.33Å; S665-Q667 VanDerWaalsContact C-N 3.33Å; S665-Q667 PolarHBondContact O-N 3.4Å; Q667-N671 WeakPolarHBondContact O-CB 3.15Å; Q667-N671 PolarHBondContact O-N 3.31Å |
| 668 | T | 88.8 | Confident | 91.4 | Very high | 31 Ų | 31 | 21.4 Ų | 21.4 | 19% | 0.19 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66.6 | -46.6 | 179.9 | -58.5 | 0 | 0 | 0 | 0 | 110.8 | F630 S664 S665 I666 N671 C672 L953 | F630-T668 HydrophobicContact CE1-CG2 4.14Å; F630-T668 HydrophobicContact CZ-CG2 3.89Å; S664-T668 PolarHBondContact O-N 2.95Å; S664-T668 VanDerWaalsContact O-N 3.12Å; S664-T668 PolarHBondContact O-OG1 3.19Å; S665-T668 PolarHBondContact O-N 3.22Å; I666-T668 VanDerWaalsContact C-N 3.32Å; I666-T668 PolarHBondContact O-N 3.5Å; T668-N671 PolarHBondContact O-N 3.47Å; T668-C672 PolarHBondContact O-N 3.01Å; T668-C672 PolarHBondContact O-SG 3.32Å; T668-C672 VanDerWaalsContact O-SG 3.38Å; T668-L953 HydrophobicContact CG2-CD2 4.41Å |
| 669 | L | 93.5 | Very high | 91 | Very high | 3 Ų | 3 | 23.8 Ų | 23.8 | 2% | 0.016 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.9 | -48.4 | 176.5 | -71.1 | 171.6 | 0 | 0 | 0 | 111.2 | F630 L644 S665 I666 N671 C672 L673 F682 L953 I961 | F630-L669 HydrophobicContact CE2-CD1 4.17Å; F630-L669 HydrophobicContact CE2-CD2 4.21Å; F630-L669 HydrophobicContact CE2-CG 3.95Å; F630-L669 HydrophobicContact CZ-CG 4.28Å; L644-L669 HydrophobicContact CD2-CD1 4.03Å; S665-L669 WeakPolarHBondContact O-CG 3.17Å; S665-L669 PolarHBondContact O-N 3.35Å; I666-L669 PolarHBondContact O-N 3.45Å; L669-N671 VanDerWaalsContact C-N 3.33Å; L669-N671 PolarHBondContact O-N 3.48Å; L669-C672 PolarHBondContact O-N 3.47Å; L669-C672 VanDerWaalsContact O-N 3.07Å; L669-L673 HydrophobicContact CB-CD1 4.43Å; L669-L673 WeakPolarHBondContact O-CB 3.37Å; L669-L673 VanDerWaalsContact O-CG 3.27Å; L669-L673 WeakPolarHBondContact O-CG 3.38Å; L669-L673 PolarHBondContact O-N 2.92Å; L669-F682 HydrophobicContact CB-CE1 4.26Å; L669-F682 HydrophobicContact CB-CE2 4.42Å; L669-F682 HydrophobicContact CB-CZ 3.78Å; L669-F682 HydrophobicContact CD1-CE2 4.46Å; L669-F682 HydrophobicContact CD1-CZ 4.17Å; L669-L953 HydrophobicContact CD2-CD2 4.27Å; L669-I961 HydrophobicContact CD2-CD1 4.25Å |
| 670 | R | 91 | Very high | 90.8 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.008 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57 | -45.7 | 178.6 | -179.2 | 175.5 | 161.6 | -137.4 | 4.9 | 112.2 | I666 C672 L673 E674 E679 F682 E738 | I666-R670 VanDerWaalsContact O-CB 3.28Å; I666-R670 WeakPolarHBondContact O-CB 3.28Å; I666-R670 PolarHBondContact O-N 2.91Å; R670-C672 PolarHBondContact O-N 3.4Å; R670-L673 PolarHBondContact O-N 3.29Å; R670-L673 VanDerWaalsContact O-N 3.14Å; R670-E674 WeakPolarHBondContact O-CB 3.36Å; R670-E674 PolarHBondContact O-N 3.37Å; R670-E679 IonicContact CZ-OE1 3.2Å; R670-E679 IonicContact NE-OE1 3.98Å; R670-E679 PolarHBondContact NE-OE1 3.07Å; R670-E679 IonicContact NH2-OE1 2.79Å; R670-E679 PolarHBondContact NH2-OE1 3.37Å; R670-F682 HydrophobicContact CB-CD1 4.13Å; R670-F682 HydrophobicContact CB-CE1 3.93Å; R670-E738 IonicContact CZ-OE2 3.94Å; R670-E738 IonicContact NH1-OE2 2.77Å; R670-E738 PolarHBondContact NH1-OE2 3.07Å |
| 671 | N | 88 | Confident | 91 | Very high | 6 Ų | 6 | 31.7 Ų | 31.7 | 3% | 0.032 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -55.3 | -36.7 | 178 | 178.5 | 69 | 0 | 0 | 0 | 112.3 | Q667 T668 L669 R675 Q860 H912 | Q667-N671 WeakPolarHBondContact O-CB 3.15Å; Q667-N671 PolarHBondContact O-N 3.31Å; T668-N671 PolarHBondContact O-N 3.47Å; L669-N671 VanDerWaalsContact C-N 3.33Å; L669-N671 PolarHBondContact O-N 3.48Å; N671-R675 PolarHBondContact O-NH1 3.07Å; N671-R675 PolarHBondContact OD1-NH1 3.21Å; N671-Q860 PolarHBondContact OD1-NE2 3.16Å; N671-H912 PolarHBondContact ND2-O 2.71Å; N671-H912 PolarHBondContact OD1-O 2.99Å |
| 672 | C | 91.5 | Very high | 91 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.02 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -76.3 | -47 | 176 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | T668 L669 R670 E674 R675 L954 | T668-C672 PolarHBondContact O-N 3.01Å; T668-C672 PolarHBondContact O-SG 3.32Å; T668-C672 VanDerWaalsContact O-SG 3.38Å; L669-C672 PolarHBondContact O-N 3.47Å; L669-C672 VanDerWaalsContact O-N 3.07Å; R670-C672 PolarHBondContact O-N 3.4Å; C672-E674 VanDerWaalsContact C-N 3.34Å; C672-E674 PolarHBondContact O-N 2.87Å; C672-R675 WeakPolarHBondContact O-CB 3.4Å; C672-R675 PolarHBondContact O-N 3.43Å; C672-L954 HydrophobicContact CB-CB 4.34Å; C672-L954 HydrophobicContact CB-CD1 4.08Å; C672-L954 VanDerWaalsContact O-CD1 3.27Å; C672-L954 WeakPolarHBondContact O-CD1 3.38Å |
| 673 | L | 92.7 | Very high | 91 | Very high | 4 Ų | 4 | 31.7 Ų | 31.7 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -70.4 | -23.9 | -172.8 | -65.8 | 173.4 | 0 | 0 | 0 | 114.5 | L669 R670 R675 V676 L678 F682 I961 | L669-L673 HydrophobicContact CB-CD1 4.43Å; L669-L673 WeakPolarHBondContact O-CB 3.37Å; L669-L673 VanDerWaalsContact O-CG 3.27Å; L669-L673 WeakPolarHBondContact O-CG 3.38Å; L669-L673 PolarHBondContact O-N 2.92Å; R670-L673 PolarHBondContact O-N 3.29Å; R670-L673 VanDerWaalsContact O-N 3.14Å; L673-R675 PolarHBondContact O-N 3.17Å; L673-V676 HydrophobicContact CD2-CG2 4.31Å; L673-V676 WeakPolarHBondContact O-CG2 3.46Å; L673-V676 PolarHBondContact O-N 3.25Å; L673-L678 HydrophobicContact CB-CB 4.15Å; L673-L678 HydrophobicContact CD2-CB 4.24Å; L673-L678 HydrophobicContact CD2-CD1 3.83Å; L673-L678 PolarHBondContact O-N 3.14Å; L673-F682 HydrophobicContact CD1-CB 4.11Å; L673-F682 HydrophobicContact CD1-CD1 4.12Å; L673-F682 HydrophobicContact CD1-CD2 3.59Å; L673-F682 HydrophobicContact CD1-CE1 4.46Å; L673-F682 HydrophobicContact CD1-CE2 3.99Å; L673-F682 HydrophobicContact CD1-CG 3.67Å; L673-F682 HydrophobicContact CD1-CZ 4.4Å; L673-I961 HydrophobicContact CD1-CD1 4.44Å; L673-I961 HydrophobicContact CD1-CG2 3.99Å; L673-I961 HydrophobicContact CD2-CD1 4.18Å; L673-I961 HydrophobicContact CD2-CG2 4.21Å |
| 674 | E | 88.9 | Confident | 91 | Very high | 28 Ų | 28 | 33 Ų | 33 | 13% | 0.131 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -56.5 | -32.3 | 172.9 | -166.2 | 180 | 154.8 | 0 | 0 | 111.6 | R670 C672 V676 S857 | R670-E674 WeakPolarHBondContact O-CB 3.36Å; R670-E674 PolarHBondContact O-N 3.37Å; C672-E674 VanDerWaalsContact C-N 3.34Å; C672-E674 PolarHBondContact O-N 2.87Å; E674-V676 VanDerWaalsContact C-N 3.33Å; E674-V676 PolarHBondContact O-N 2.87Å; E674-S857 VanDerWaalsContact CD-OG 3.24Å; E674-S857 VanDerWaalsContact OE1-CB 3.28Å; E674-S857 WeakPolarHBondContact OE1-CB 2.93Å; E674-S857 PolarHBondContact OE1-N 2.83Å; E674-S857 PolarHBondContact OE1-OG 3.43Å; E674-S857 PolarHBondContact OE2-N 3.22Å |
| 675 | R | 88 | Confident | 91.3 | Very high | 68 Ų | 68 | 31.8 Ų | 31.8 | 26% | 0.257 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -78.2 | -12.1 | -177.7 | -66.5 | 173.6 | 164.2 | 82.6 | 1.6 | 115 | N671 C672 L673 H912 C914 L954 | N671-R675 PolarHBondContact O-NH1 3.07Å; N671-R675 PolarHBondContact OD1-NH1 3.21Å; C672-R675 WeakPolarHBondContact O-CB 3.4Å; C672-R675 PolarHBondContact O-N 3.43Å; L673-R675 PolarHBondContact O-N 3.17Å; R675-H912 PolarHBondContact NH1-O 3.43Å; R675-H912 PolarHBondContact NH2-O 2.87Å; R675-H912 VanDerWaalsContact NH2-O 3.09Å; R675-C914 VanDerWaalsContact CZ-SG 3.6Å; R675-C914 PolarHBondContact NH1-SG 3.24Å; R675-L954 HydrophobicContact CB-CD2 4.32Å |
| 676 | V | 89.9 | Confident | 91.3 | Very high | 55 Ų | 55 | 31.9 Ų | 31.9 | 33% | 0.333 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -120.3 | 23 | -177.3 | -67.4 | 0 | 0 | 0 | 0 | 112.2 | L673 E674 L678 L954 A958 | L673-V676 HydrophobicContact CD2-CG2 4.31Å; L673-V676 WeakPolarHBondContact O-CG2 3.46Å; L673-V676 PolarHBondContact O-N 3.25Å; E674-V676 VanDerWaalsContact C-N 3.33Å; E674-V676 PolarHBondContact O-N 2.87Å; V676-L678 HydrophobicContact CG2-CB 4.23Å; V676-L678 HydrophobicContact CG2-CD1 3.83Å; V676-L678 HydrophobicContact CG2-CG 3.98Å; V676-L678 PolarHBondContact O-N 3.37Å; V676-L678 VanDerWaalsContact O-N 3.16Å; V676-L954 HydrophobicContact CB-CD1 4.46Å; V676-L954 HydrophobicContact CG1-CD1 3.8Å; V676-L954 HydrophobicContact CG1-CD2 4.1Å; V676-L954 HydrophobicContact CG1-CG 4.16Å; V676-L954 HydrophobicContact CG2-CD1 3.79Å; V676-A958 HydrophobicContact CG2-CB 4.29Å |
| 677 | N | 86.8 | Confident | 91.4 | Very high | 156 Ų | 156 | 35.5 Ų | 35.5 | 83% | 0.834 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 29 | 178.9 | -60.3 | -41.7 | 0 | 0 | 0 | 113.9 | ||
| 678 | L | 91.3 | Very high | 91.6 | Very high | 16 Ų | 16 | 37.5 Ų | 37.5 | 8% | 0.084 | 20% | 0.195 | C | C | . | . | trans | -100.3 | 4.2 | 175.2 | -67.9 | 177.8 | 0 | 0 | 0 | 112.8 | L673 V676 N680 S681 F682 K962 | L673-L678 HydrophobicContact CB-CB 4.15Å; L673-L678 HydrophobicContact CD2-CB 4.24Å; L673-L678 HydrophobicContact CD2-CD1 3.83Å; L673-L678 PolarHBondContact O-N 3.14Å; V676-L678 HydrophobicContact CG2-CB 4.23Å; V676-L678 HydrophobicContact CG2-CD1 3.83Å; V676-L678 HydrophobicContact CG2-CG 3.98Å; V676-L678 PolarHBondContact O-N 3.37Å; V676-L678 VanDerWaalsContact O-N 3.16Å; L678-N680 PolarHBondContact O-N 3.37Å; L678-S681 PolarHBondContact O-OG 3.11Å; L678-F682 VanDerWaalsContact O-CB 3.27Å; L678-F682 WeakPolarHBondContact O-CB 3.09Å; L678-F682 PolarHBondContact O-N 2.91Å; L678-K962 HydrophobicContact CD1-CB 3.98Å; L678-K962 HydrophobicContact CD2-CB 3.97Å; L678-K962 HydrophobicContact CD2-CD 4.03Å; L678-K962 HydrophobicContact CD2-CG 3.78Å | ||
| 679 | E | 88.1 | Confident | 92 | Very high | 50 Ų | 50 | 36.3 Ų | 36.3 | 23% | 0.234 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.2 | -49.7 | -179.1 | -174.1 | 174.8 | -156.9 | 0 | 0 | 111.7 | R670 S681 F682 S683 | R670-E679 IonicContact CZ-OE1 3.2Å; R670-E679 IonicContact NE-OE1 3.98Å; R670-E679 PolarHBondContact NE-OE1 3.07Å; R670-E679 IonicContact NH2-OE1 2.79Å; R670-E679 PolarHBondContact NH2-OE1 3.37Å; E679-S681 PolarHBondContact O-N 3.45Å; E679-F682 PolarHBondContact O-N 2.9Å; E679-S683 VanDerWaalsContact O-CB 3.3Å; E679-S683 WeakPolarHBondContact O-CB 3.48Å; E679-S683 PolarHBondContact O-N 3.38Å; E679-S683 PolarHBondContact O-OG 3.21Å; E679-S683 VanDerWaalsContact O-OG 3.07Å |
| 680 | N | 90.7 | Very high | 92.1 | Very high | 136 Ų | 136 | 36.1 Ų | 36.1 | 73% | 0.727 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -61 | -44.3 | -174.4 | -73 | -25.1 | 0 | 0 | 0 | 113.5 | L678 A684 | L678-N680 PolarHBondContact O-N 3.37Å; N680-A684 PolarHBondContact O-N 3.03Å; N680-A684 VanDerWaalsContact O-N 3.14Å |
| 681 | S | 92.1 | Very high | 92.3 | Very high | 40 Ų | 40 | 39.3 Ų | 39.3 | 28% | 0.28 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -71.1 | -38.7 | 178.2 | 52 | 0 | 0 | 0 | 0 | 111.5 | L678 E679 A684 F685 | L678-S681 PolarHBondContact O-OG 3.11Å; E679-S681 PolarHBondContact O-N 3.45Å; S681-A684 WeakPolarHBondContact O-CB 3.2Å; S681-A684 PolarHBondContact O-N 2.89Å; S681-F685 PolarHBondContact O-N 2.86Å |
| 682 | F | 95 | Very high | 92.6 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.4 | -40.7 | 175.2 | -169.9 | -109.6 | 0 | 0 | 0 | 112.1 | L644 I666 L669 R670 L673 L678 E679 A684 F685 V686 L965 | L644-F682 HydrophobicContact CD2-CE2 4.22Å; I666-F682 HydrophobicContact CD1-CZ 3.88Å; I666-F682 HydrophobicContact CG2-CE1 4.07Å; I666-F682 HydrophobicContact CG2-CZ 4.36Å; L669-F682 HydrophobicContact CB-CE1 4.26Å; L669-F682 HydrophobicContact CB-CE2 4.42Å; L669-F682 HydrophobicContact CB-CZ 3.78Å; L669-F682 HydrophobicContact CD1-CE2 4.46Å; L669-F682 HydrophobicContact CD1-CZ 4.17Å; R670-F682 HydrophobicContact CB-CD1 4.13Å; R670-F682 HydrophobicContact CB-CE1 3.93Å; L673-F682 HydrophobicContact CD1-CB 4.11Å; L673-F682 HydrophobicContact CD1-CD1 4.12Å; L673-F682 HydrophobicContact CD1-CD2 3.59Å; L673-F682 HydrophobicContact CD1-CE1 4.46Å; L673-F682 HydrophobicContact CD1-CE2 3.99Å; L673-F682 HydrophobicContact CD1-CG 3.67Å; L673-F682 HydrophobicContact CD1-CZ 4.4Å; L678-F682 VanDerWaalsContact O-CB 3.27Å; L678-F682 WeakPolarHBondContact O-CB 3.09Å; L678-F682 PolarHBondContact O-N 2.91Å; E679-F682 PolarHBondContact O-N 2.9Å; F682-A684 VanDerWaalsContact C-N 3.26Å; F682-A684 PolarHBondContact O-N 2.73Å; F682-F685 HydrophobicContact CD2-CD1 4.21Å; F682-F685 AromaticContact CE2-CD1 3.92Å; F682-F685 HydrophobicContact CE2-CD1 3.92Å; F682-F685 HydrophobicContact CE2-CE1 4.28Å; F682-F685 HydrophobicContact CZ-CD1 4.49Å; F682-F685 WeakPolarHBondContact O-CB 3.04Å; F682-F685 PolarHBondContact O-N 3.2Å; F682-F685 VanDerWaalsContact O-N 3.16Å; F682-V686 HydrophobicContact CD1-CG2 4.1Å; F682-V686 HydrophobicContact CE1-CG2 3.89Å; F682-V686 HydrophobicContact CZ-CG2 4.34Å; F682-V686 WeakPolarHBondContact O-CG2 3.13Å; F682-V686 PolarHBondContact O-N 3.36Å; F682-L965 HydrophobicContact CB-CD1 4.26Å; F682-L965 HydrophobicContact CD2-CD1 4.41Å; F682-L965 HydrophobicContact CD2-CD2 4.45Å |
| 683 | S | 94.4 | Very high | 92.8 | Very high | 6 Ų | 6 | 43.6 Ų | 43.6 | 4% | 0.042 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.4 | -32.5 | 174.1 | -69.1 | 0 | 0 | 0 | 0 | 112.2 | E679 V686 R687 | E679-S683 VanDerWaalsContact O-CB 3.3Å; E679-S683 WeakPolarHBondContact O-CB 3.48Å; E679-S683 PolarHBondContact O-N 3.38Å; E679-S683 PolarHBondContact O-OG 3.21Å; E679-S683 VanDerWaalsContact O-OG 3.07Å; S683-V686 PolarHBondContact O-N 3.48Å; S683-R687 WeakPolarHBondContact O-CG 3.46Å; S683-R687 PolarHBondContact O-N 3.21Å; S683-R687 PolarHBondContact O-NH1 2.71Å |
| 684 | A | 93.9 | Very high | 92.9 | Very high | 29 Ų | 29 | 43.9 Ų | 43.9 | 24% | 0.24 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.9 | -44.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | N680 S681 F682 R687 H688 | N680-A684 PolarHBondContact O-N 3.03Å; N680-A684 VanDerWaalsContact O-N 3.14Å; S681-A684 WeakPolarHBondContact O-CB 3.2Å; S681-A684 PolarHBondContact O-N 2.89Å; F682-A684 VanDerWaalsContact C-N 3.26Å; F682-A684 PolarHBondContact O-N 2.73Å; A684-R687 PolarHBondContact O-N 3.09Å; A684-H688 PolarHBondContact O-N 3.4Å; A684-H688 VanDerWaalsContact O-N 3.12Å |
| 685 | F | 94.5 | Very high | 93.1 | Very high | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.018 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.6 | -47.8 | 171.3 | 162.1 | -112.4 | 0 | 0 | 0 | 111.6 | L644 I666 S681 F682 R687 H688 F689 W964 L965 F970 | L644-F685 HydrophobicContact CD2-CE1 3.87Å; L644-F685 HydrophobicContact CD2-CZ 4.26Å; I666-F685 HydrophobicContact CD1-CE1 3.91Å; S681-F685 PolarHBondContact O-N 2.86Å; F682-F685 HydrophobicContact CD2-CD1 4.21Å; F682-F685 AromaticContact CE2-CD1 3.92Å; F682-F685 HydrophobicContact CE2-CD1 3.92Å; F682-F685 HydrophobicContact CE2-CE1 4.28Å; F682-F685 HydrophobicContact CZ-CD1 4.49Å; F682-F685 WeakPolarHBondContact O-CB 3.04Å; F682-F685 PolarHBondContact O-N 3.2Å; F682-F685 VanDerWaalsContact O-N 3.16Å; F685-R687 PolarHBondContact O-N 3.43Å; F685-H688 WeakPolarHBondContact O-CB 3.15Å; F685-H688 PolarHBondContact O-N 2.91Å; F685-F689 HydrophobicContact CD2-CB 4.42Å; F685-F689 HydrophobicContact CE2-CB 3.97Å; F685-F689 HydrophobicContact CE2-CG 4.34Å; F685-F689 HydrophobicContact CZ-CB 4.19Å; F685-F689 HydrophobicContact CZ-CG 4.25Å; F685-F689 WeakPolarHBondContact O-CB 3.22Å; F685-F689 PolarHBondContact O-N 3.16Å; F685-W964 AromaticContact CD2-CH2 3.88Å; F685-W964 HydrophobicContact CD2-CH2 3.88Å; F685-W964 HydrophobicContact CD2-CZ3 4.05Å; F685-W964 AromaticContact CE2-CH2 3.74Å; F685-W964 HydrophobicContact CE2-CH2 3.74Å; F685-W964 HydrophobicContact CE2-CZ3 4.28Å; F685-W964 HydrophobicContact CG-CH2 4.46Å; F685-W964 HydrophobicContact CG-CZ3 4.2Å; F685-W964 HydrophobicContact CZ-CH2 4.22Å; F685-L965 HydrophobicContact CB-CD2 3.85Å; F685-L965 HydrophobicContact CG-CD2 4.48Å; F685-F970 HydrophobicContact CB-CE1 3.86Å; F685-F970 HydrophobicContact CB-CE2 4.24Å; F685-F970 HydrophobicContact CB-CZ 3.65Å; F685-F970 HydrophobicContact CD2-CD1 4.47Å; F685-F970 AromaticContact CD2-CE1 3.59Å; F685-F970 HydrophobicContact CD2-CE1 3.59Å; F685-F970 HydrophobicContact CD2-CZ 4.04Å; F685-F970 HydrophobicContact CG-CE1 4.17Å; F685-F970 HydrophobicContact CG-CZ 4.23Å |
| 686 | V | 95.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59 | -46.6 | -179.9 | 171.4 | 0 | 0 | 0 | 0 | 111.3 | I666 F682 S683 H688 F689 Y690 R735 S739 | I666-V686 HydrophobicContact CG2-CG1 4.5Å; I666-V686 HydrophobicContact CG2-CG2 3.69Å; F682-V686 HydrophobicContact CD1-CG2 4.1Å; F682-V686 HydrophobicContact CE1-CG2 3.89Å; F682-V686 HydrophobicContact CZ-CG2 4.34Å; F682-V686 WeakPolarHBondContact O-CG2 3.13Å; F682-V686 PolarHBondContact O-N 3.36Å; S683-V686 PolarHBondContact O-N 3.48Å; V686-H688 VanDerWaalsContact C-N 3.3Å; V686-H688 PolarHBondContact O-N 2.9Å; V686-F689 PolarHBondContact O-N 3.06Å; V686-Y690 HydrophobicContact CG1-CD2 3.9Å; V686-Y690 HydrophobicContact CG1-CE2 4.04Å; V686-Y690 HydrophobicContact CG1-CG 4.44Å; V686-Y690 WeakPolarHBondContact O-CB 3.33Å; V686-Y690 VanDerWaalsContact O-CD2 3.27Å; V686-Y690 WeakPolarHBondContact O-CD2 3.25Å; V686-Y690 PolarHBondContact O-N 2.95Å; V686-R735 HydrophobicContact CG1-CG 3.56Å; V686-S739 VanDerWaalsContact CG1-OG 3.3Å; V686-S739 WeakPolarHBondContact CG1-OG 3.41Å |
| 687 | R | 95.7 | Very high | 93.4 | Very high | 76 Ų | 76 | 46 Ų | 46 | 29% | 0.287 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.3 | -41.4 | 177 | -72.2 | -173.8 | -55.6 | -91.4 | 3.9 | 112.1 | S683 A684 F685 R691 L736 S739 D741 | S683-R687 WeakPolarHBondContact O-CG 3.46Å; S683-R687 PolarHBondContact O-N 3.21Å; S683-R687 PolarHBondContact O-NH1 2.71Å; A684-R687 PolarHBondContact O-N 3.09Å; F685-R687 PolarHBondContact O-N 3.43Å; R687-R691 PolarHBondContact O-N 3.37Å; R687-L736 HydrophobicContact CB-CD2 4.47Å; R687-L736 HydrophobicContact CG-CD2 4.37Å; R687-S739 WeakPolarHBondContact CD-O 3.39Å; R687-S739 PolarHBondContact NH1-O 3.42Å; R687-D741 HydrophobicContact CG-CB 4.39Å |
| 688 | H | 94.2 | Very high | 93.4 | Very high | 74 Ų | 74 | 39.7 Ų | 39.7 | 34% | 0.343 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65.3 | -50.4 | 177 | 178.7 | 83 | 0 | 0 | 0 | 111.5 | A684 F685 V686 Y690 R691 F970 | A684-H688 PolarHBondContact O-N 3.4Å; A684-H688 VanDerWaalsContact O-N 3.12Å; F685-H688 WeakPolarHBondContact O-CB 3.15Å; F685-H688 PolarHBondContact O-N 2.91Å; V686-H688 VanDerWaalsContact C-N 3.3Å; V686-H688 PolarHBondContact O-N 2.9Å; H688-Y690 PolarHBondContact O-N 3.5Å; H688-R691 VanDerWaalsContact O-CB 3.3Å; H688-R691 WeakPolarHBondContact O-CB 3.31Å; H688-R691 PolarHBondContact O-N 3.25Å; H688-F970 HydrophobicContact CB-CD1 4.41Å |
| 689 | F | 95.5 | Very high | 93.1 | Very high | 5 Ų | 5 | 39.5 Ų | 39.5 | 2% | 0.022 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.7 | -36.2 | -176.1 | -177.5 | -113.4 | 0 | 0 | 0 | 113 | L647 E651 W659 V662 F685 V686 R691 | L647-F689 HydrophobicContact CB-CE2 4.41Å; L647-F689 HydrophobicContact CB-CZ 4.19Å; L647-F689 WeakPolarHBondContact O-CE2 3.3Å; L647-F689 WeakPolarHBondContact O-CZ 3.27Å; E651-F689 HydrophobicContact CG-CD2 3.96Å; E651-F689 HydrophobicContact CG-CE2 3.88Å; W659-F689 HydrophobicContact CH2-CD1 4.19Å; W659-F689 AromaticContact CH2-CE1 3.75Å; W659-F689 HydrophobicContact CH2-CE1 3.75Å; W659-F689 HydrophobicContact CH2-CZ 4.18Å; W659-F689 HydrophobicContact CZ3-CD1 4.28Å; W659-F689 AromaticContact CZ3-CE1 3.81Å; W659-F689 HydrophobicContact CZ3-CE1 3.81Å; V662-F689 HydrophobicContact CG1-CE1 3.69Å; V662-F689 HydrophobicContact CG1-CZ 4.42Å; F685-F689 HydrophobicContact CD2-CB 4.42Å; F685-F689 HydrophobicContact CE2-CB 3.97Å; F685-F689 HydrophobicContact CE2-CG 4.34Å; F685-F689 HydrophobicContact CZ-CB 4.19Å; F685-F689 HydrophobicContact CZ-CG 4.25Å; F685-F689 WeakPolarHBondContact O-CB 3.22Å; F685-F689 PolarHBondContact O-N 3.16Å; V686-F689 PolarHBondContact O-N 3.06Å; F689-R691 VanDerWaalsContact C-N 3.32Å; F689-R691 PolarHBondContact O-N 3.48Å |
| 690 | Y | 96.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -5.4 | 179.2 | -79.1 | -122.2 | 0 | 0 | 0 | 113.2 | W659 D663 I666 V686 H688 I693 Y694 I732 R735 | W659-Y690 HydrophobicContact CE3-CE1 4.24Å; W659-Y690 HydrophobicContact CZ3-CD1 4.12Å; W659-Y690 HydrophobicContact CZ3-CD2 4.08Å; W659-Y690 AromaticContact CZ3-CE1 3.91Å; W659-Y690 HydrophobicContact CZ3-CE1 3.91Å; W659-Y690 AromaticContact CZ3-CE2 3.86Å; W659-Y690 HydrophobicContact CZ3-CE2 3.86Å; W659-Y690 HydrophobicContact CZ3-CG 4.2Å; W659-Y690 AromaticContact CZ3-CZ 3.77Å; D663-Y690 WeakPolarHBondContact CA-OH 3.49Å; D663-Y690 PolarHBondContact OD1-OH 2.65Å; I666-Y690 HydrophobicContact CG1-CE2 4.36Å; V686-Y690 HydrophobicContact CG1-CD2 3.9Å; V686-Y690 HydrophobicContact CG1-CE2 4.04Å; V686-Y690 HydrophobicContact CG1-CG 4.44Å; V686-Y690 WeakPolarHBondContact O-CB 3.33Å; V686-Y690 VanDerWaalsContact O-CD2 3.27Å; V686-Y690 WeakPolarHBondContact O-CD2 3.25Å; V686-Y690 PolarHBondContact O-N 2.95Å; H688-Y690 PolarHBondContact O-N 3.5Å; Y690-I693 WeakPolarHBondContact O-CG2 3.4Å; Y690-Y694 WeakPolarHBondContact O-CB 3.41Å; Y690-Y694 PolarHBondContact O-N 3.24Å; Y690-Y694 VanDerWaalsContact O-N 3.09Å; Y690-I732 HydrophobicContact CD1-CD1 3.77Å; Y690-I732 HydrophobicContact CD1-CG2 4.25Å; Y690-I732 HydrophobicContact CE1-CD1 3.83Å; Y690-R735 HydrophobicContact CD1-CB 4.04Å; Y690-R735 HydrophobicContact CD1-CG 3.88Å; Y690-R735 HydrophobicContact CE1-CB 3.62Å; Y690-R735 HydrophobicContact CE1-CG 3.41Å; Y690-R735 VanDerWaalsContact CE1-CG 3.41Å; Y690-R735 HydrophobicContact CE2-CG 4.12Å; Y690-R735 HydrophobicContact CG-CG 4.42Å |
| 691 | R | 94.6 | Very high | 92.3 | Very high | 69 Ų | 69 | 37.3 Ų | 37.3 | 26% | 0.26 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.1 | -51.5 | -173.6 | 178.9 | 59.5 | 66.4 | -156.3 | -3.7 | 112.4 | R687 H688 F689 I693 Y694 D695 D741 | R687-R691 PolarHBondContact O-N 3.37Å; H688-R691 VanDerWaalsContact O-CB 3.3Å; H688-R691 WeakPolarHBondContact O-CB 3.31Å; H688-R691 PolarHBondContact O-N 3.25Å; F689-R691 VanDerWaalsContact C-N 3.32Å; F689-R691 PolarHBondContact O-N 3.48Å; R691-I693 PolarHBondContact O-N 2.92Å; R691-Y694 WeakPolarHBondContact O-CB 3.49Å; R691-Y694 PolarHBondContact O-N 2.98Å; R691-Y694 VanDerWaalsContact O-N 3.13Å; R691-D695 VanDerWaalsContact CD-OD1 3.3Å; R691-D695 WeakPolarHBondContact CD-OD1 3.36Å; R691-D695 WeakPolarHBondContact CD-OD2 3.5Å; R691-D695 WeakPolarHBondContact CG-OD2 3.39Å; R691-D695 VanDerWaalsContact O-CG 3.23Å; R691-D695 PolarHBondContact O-N 3.5Å; R691-D741 IonicContact CZ-OD2 2.73Å; R691-D741 IonicContact NH1-OD2 2.66Å; R691-D741 PolarHBondContact NH1-OD2 3.32Å; R691-D741 IonicContact NH2-OD2 3.83Å; R691-D741 PolarHBondContact NH2-OD2 3.25Å |
| 692 | K | 95.4 | Very high | 91.8 | Very high | 95 Ų | 95 | 37.1 Ų | 37.1 | 41% | 0.413 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -58.9 | -44.4 | -176.3 | -73 | -179.9 | 175 | 176.5 | 0 | 112.6 | E651 D652 D695 R696 | E651-K692 HydrophobicContact CB-CD 4.2Å; E651-K692 WeakPolarHBondContact O-CD 3.47Å; E651-K692 IonicContact OE2-NZ 3.5Å; E651-K692 PolarHBondContact OE2-NZ 2.94Å; E651-K692 VanDerWaalsContact OE2-NZ 3.11Å; D652-K692 WeakPolarHBondContact OD1-CD 3.27Å; D652-K692 IonicContact OD1-NZ 2.7Å; D652-K692 PolarHBondContact OD1-NZ 3.32Å; D652-K692 IonicContact OD2-NZ 3.8Å; K692-D695 PolarHBondContact O-N 2.78Å; K692-R696 PolarHBondContact O-N 2.9Å; K692-R696 VanDerWaalsContact O-N 3.09Å |
| 693 | I | 95.3 | Very high | 90.8 | Very high | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.015 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69.5 | -34.4 | 178.8 | -172.7 | 59.1 | 0 | 0 | 0 | 111.8 | W659 Y690 R691 R696 L697 L728 I732 | W659-I693 HydrophobicContact CH2-CB 4.4Å; W659-I693 HydrophobicContact CH2-CG2 3.69Å; W659-I693 HydrophobicContact CZ2-CB 3.68Å; W659-I693 HydrophobicContact CZ2-CG1 4.17Å; W659-I693 HydrophobicContact CZ2-CG2 3.47Å; W659-I693 VanDerWaalsContact CZ2-CG2 3.47Å; W659-I693 HydrophobicContact CZ3-CG2 4.34Å; Y690-I693 WeakPolarHBondContact O-CG2 3.4Å; R691-I693 PolarHBondContact O-N 2.92Å; I693-R696 PolarHBondContact O-N 3.48Å; I693-L697 HydrophobicContact CD1-CD1 3.97Å; I693-L697 HydrophobicContact CD1-CG 4.11Å; I693-L697 HydrophobicContact CG1-CD1 3.88Å; I693-L697 HydrophobicContact CG1-CG 4.4Å; I693-L697 WeakPolarHBondContact O-CB 3.38Å; I693-L697 WeakPolarHBondContact O-CG 3.5Å; I693-L697 PolarHBondContact O-N 3.08Å; I693-L728 HydrophobicContact CD1-CD2 4Å; I693-L728 HydrophobicContact CG1-CD2 4.2Å; I693-I732 HydrophobicContact CG1-CD1 4.23Å; I693-I732 HydrophobicContact CG1-CG1 4.08Å; I693-I732 HydrophobicContact CG2-CD1 3.8Å; I693-I732 HydrophobicContact CG2-CG1 4.12Å; I693-I732 HydrophobicContact CG2-CG2 3.96Å |
| 694 | Y | 94.3 | Very high | 89.6 | Confident | 11 Ų | 11 | 42.9 Ų | 42.9 | 4% | 0.043 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.3 | -42.9 | 172 | 168.9 | -106.4 | 0 | 0 | 0 | 112.5 | Y690 R691 R696 L697 G698 F699 L733 L736 S743 V744 K747 | Y690-Y694 WeakPolarHBondContact O-CB 3.41Å; Y690-Y694 PolarHBondContact O-N 3.24Å; Y690-Y694 VanDerWaalsContact O-N 3.09Å; R691-Y694 WeakPolarHBondContact O-CB 3.49Å; R691-Y694 PolarHBondContact O-N 2.98Å; R691-Y694 VanDerWaalsContact O-N 3.13Å; Y694-R696 PolarHBondContact O-N 3.43Å; Y694-L697 PolarHBondContact O-N 3.34Å; Y694-G698 WeakPolarHBondContact O-CA 3.27Å; Y694-G698 PolarHBondContact O-N 2.95Å; Y694-F699 HydrophobicContact CE2-CD2 4.44Å; Y694-L733 HydrophobicContact CD2-CD2 3.67Å; Y694-L733 HydrophobicContact CE2-CD2 3.55Å; Y694-L736 HydrophobicContact CD1-CD1 4.3Å; Y694-L736 HydrophobicContact CD2-CD1 3.89Å; Y694-L736 HydrophobicContact CG-CD1 3.63Å; Y694-S743 PolarHBondContact OH-OG 3.11Å; Y694-V744 HydrophobicContact CD2-CG2 4.33Å; Y694-V744 HydrophobicContact CE2-CG2 3.79Å; Y694-K747 PolarHBondContact OH-NZ 3.3Å |
| 695 | D | 94.4 | Very high | 88.5 | Confident | 106 Ų | 106 | 42.6 Ų | 42.6 | 57% | 0.567 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -63.2 | -31.1 | 178 | -64.8 | -18.1 | 0 | 0 | 0 | 111.3 | R691 K692 | R691-D695 VanDerWaalsContact CD-OD1 3.3Å; R691-D695 WeakPolarHBondContact CD-OD1 3.36Å; R691-D695 WeakPolarHBondContact CD-OD2 3.5Å; R691-D695 WeakPolarHBondContact CG-OD2 3.39Å; R691-D695 VanDerWaalsContact O-CG 3.23Å; R691-D695 PolarHBondContact O-N 3.5Å; K692-D695 PolarHBondContact O-N 2.78Å |
| 696 | R | 93 | Very high | 86.8 | Confident | 86 Ų | 86 | 46.1 Ų | 46.1 | 33% | 0.325 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -69.6 | -51.9 | 170.9 | 176.4 | -178.3 | 170.6 | -98.8 | -5.3 | 112.8 | K692 I693 Y694 L702 D725 | K692-R696 PolarHBondContact O-N 2.9Å; K692-R696 VanDerWaalsContact O-N 3.09Å; I693-R696 PolarHBondContact O-N 3.48Å; Y694-R696 PolarHBondContact O-N 3.43Å; R696-L702 WeakPolarHBondContact O-CD2 3.16Å; R696-D725 IonicContact CZ-OD1 2.98Å; R696-D725 VanDerWaalsContact CZ-OD1 3.23Å; R696-D725 IonicContact CZ-OD2 3.71Å; R696-D725 IonicContact NH1-OD1 3.11Å; R696-D725 PolarHBondContact NH1-OD1 3.31Å; R696-D725 IonicContact NH1-OD2 3.42Å; R696-D725 IonicContact NH2-OD1 2.69Å; R696-D725 PolarHBondContact NH2-OD1 3.14Å; R696-D725 IonicContact NH2-OD2 2.67Å; R696-D725 PolarHBondContact NH2-OD2 3.37Å |
| 697 | L | 90.6 | Very high | 84.6 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -84.2 | -33.6 | -169.1 | -70.1 | 175.1 | 0 | 0 | 0 | 113.9 | I693 Y694 L702 D725 L728 R729 I732 | I693-L697 HydrophobicContact CD1-CD1 3.97Å; I693-L697 HydrophobicContact CD1-CG 4.11Å; I693-L697 HydrophobicContact CG1-CD1 3.88Å; I693-L697 HydrophobicContact CG1-CG 4.4Å; I693-L697 WeakPolarHBondContact O-CB 3.38Å; I693-L697 WeakPolarHBondContact O-CG 3.5Å; I693-L697 PolarHBondContact O-N 3.08Å; Y694-L697 PolarHBondContact O-N 3.34Å; L697-L702 HydrophobicContact CD2-CD1 4.29Å; L697-D725 HydrophobicContact CD2-CB 3.92Å; L697-L728 HydrophobicContact CD1-CB 4.27Å; L697-L728 HydrophobicContact CD1-CD2 3.96Å; L697-L728 HydrophobicContact CD1-CG 3.76Å; L697-R729 HydrophobicContact CD1-CB 4.34Å; L697-I732 HydrophobicContact CD1-CG1 4.07Å |
| 698 | G | 87.7 | Confident | 81.8 | Confident | 23 Ų | 23 | 52.9 Ų | 52.9 | 24% | 0.237 | 29% | 0.289 | C | S | . | . | trans | 57.4 | -163.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y694 | Y694-G698 WeakPolarHBondContact O-CA 3.27Å; Y694-G698 PolarHBondContact O-N 2.95Å | ||
| 699 | F | 84.5 | Confident | 79 | Confident | 13 Ų | 13 | 58.3 Ų | 58.3 | 6% | 0.057 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -92.9 | -24.9 | 178.8 | -129.6 | -91.8 | 0 | 0 | 0 | 113 | Y694 L733 V744 K747 A748 L751 F780 | Y694-F699 HydrophobicContact CE2-CD2 4.44Å; F699-L733 HydrophobicContact CD1-CD1 4.37Å; F699-L733 HydrophobicContact CD2-CD1 4.01Å; F699-L733 HydrophobicContact CD2-CD2 3.61Å; F699-L733 HydrophobicContact CD2-CG 4.47Å; F699-L733 HydrophobicContact CE1-CD1 4.46Å; F699-L733 HydrophobicContact CE2-CD1 4.12Å; F699-L733 HydrophobicContact CE2-CD2 3.71Å; F699-L733 HydrophobicContact CE2-CG 4.43Å; F699-L733 HydrophobicContact CG-CD1 4.16Å; F699-L733 HydrophobicContact CG-CD2 4.46Å; F699-L733 HydrophobicContact CZ-CD1 4.35Å; F699-V744 HydrophobicContact CE2-CB 4.47Å; F699-V744 HydrophobicContact CE2-CG1 4.1Å; F699-K747 HydrophobicContact CB-CD 4.13Å; F699-K747 HydrophobicContact CD1-CB 4.36Å; F699-K747 HydrophobicContact CD2-CB 3.85Å; F699-K747 HydrophobicContact CD2-CD 3.54Å; F699-K747 HydrophobicContact CD2-CG 4.36Å; F699-K747 HydrophobicContact CE1-CB 4.13Å; F699-K747 HydrophobicContact CE2-CB 3.6Å; F699-K747 HydrophobicContact CE2-CD 4.09Å; F699-K747 HydrophobicContact CG-CB 4.21Å; F699-K747 HydrophobicContact CG-CD 3.92Å; F699-K747 HydrophobicContact CZ-CB 3.76Å; F699-A748 HydrophobicContact CZ-CB 4.31Å; F699-L751 HydrophobicContact CD1-CD1 3.61Å; F699-L751 HydrophobicContact CE1-CD1 3.23Å; F699-L751 HydrophobicContact CZ-CD1 4.35Å; F699-F780 AromaticContact CD1-CZ 3.98Å; F699-F780 HydrophobicContact CD1-CZ 3.98Å; F699-F780 AromaticContact CE1-CE1 3.96Å; F699-F780 HydrophobicContact CE1-CE1 3.96Å; F699-F780 HydrophobicContact CE1-CE2 4.44Å; F699-F780 AromaticContact CE1-CZ 3.36Å; F699-F780 HydrophobicContact CE1-CZ 3.36Å; F699-F780 AromaticContact CZ-CZ 3.87Å; F699-F780 HydrophobicContact CZ-CZ 3.87Å |
| 700 | N | 82.5 | Confident | 76 | Confident | 111 Ų | 111 | 67.2 Ų | 67.2 | 59% | 0.594 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -103.3 | 156.8 | -176.8 | -63.2 | -39.2 | 0 | 0 | 0 | 110.1 | L702 R729 | N700-L702 PolarHBondContact O-N 3.43Å; N700-R729 PolarHBondContact O-NE 3.42Å |
| 701 | P | 80 | Confident | 73.2 | Confident | 29 Ų | 29 | 72.4 Ų | 72.4 | 19% | 0.188 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -55.4 | 138.6 | 170.2 | -22.9 | 34.9 | 0 | 0 | 0 | 110.8 | E705 D764 I765 | P701-E705 HydrophobicContact CB-CB 4.14Å; P701-D764 HydrophobicContact CG-CB 3.86Å; P701-I765 HydrophobicContact CG-CG1 4.28Å |
| 702 | L | 81.6 | Confident | 70.4 | Confident | 35 Ų | 35 | 76.4 Ų | 76.4 | 18% | 0.183 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 155.4 | 174.3 | -62 | 175.4 | 0 | 0 | 0 | 109.8 | R696 L697 N700 S704 E705 C706 | R696-L702 WeakPolarHBondContact O-CD2 3.16Å; L697-L702 HydrophobicContact CD2-CD1 4.29Å; N700-L702 PolarHBondContact O-N 3.43Å; L702-S704 VanDerWaalsContact CB-OG 3.22Å; L702-S704 WeakPolarHBondContact CB-OG 3.33Å; L702-S704 PolarHBondContact O-N 3.24Å; L702-E705 WeakPolarHBondContact CA-OE2 3.46Å; L702-E705 WeakPolarHBondContact CB-OE2 3.49Å; L702-E705 VanDerWaalsContact CG-OE2 3.27Å; L702-E705 WeakPolarHBondContact CG-OE2 3.32Å; L702-E705 PolarHBondContact N-OE2 3.33Å; L702-E705 WeakPolarHBondContact O-CB 3.45Å; L702-E705 PolarHBondContact O-N 3.39Å; L702-C706 PolarHBondContact O-N 3.44Å |
| 703 | P | 72.7 | Confident | 67.8 | Low | 107 Ų | 107 | 77.9 Ų | 77.9 | 70% | 0.695 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -27.4 | 170.8 | -25.7 | 34.6 | 0 | 0 | 0 | 112.8 | E705 R711 | P703-E705 VanDerWaalsContact C-N 3.34Å; P703-R711 PolarHBondContact O-NH2 2.88Å |
| 704 | S | 69.1 | Low | 64.9 | Low | 21 Ų | 21 | 83.5 Ų | 83.5 | 15% | 0.147 | 45% | 0.454 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -36.1 | 172.6 | 42.7 | 0 | 0 | 0 | 0 | 113.4 | L702 R711 | L702-S704 VanDerWaalsContact CB-OG 3.22Å; L702-S704 WeakPolarHBondContact CB-OG 3.33Å; L702-S704 PolarHBondContact O-N 3.24Å; S704-R711 VanDerWaalsContact C-NH2 3.28Å; S704-R711 PolarHBondContact O-NH2 2.92Å |
| 705 | E | 72.3 | Confident | 62.2 | Low | 22 Ų | 22 | 86.1 Ų | 86.1 | 10% | 0.103 | 47% | 0.473 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -33.1 | -177.6 | -70.5 | 163.5 | 95 | 0 | 0 | 112.7 | P701 L702 P703 T707 A722 T726 R729 | P701-E705 HydrophobicContact CB-CB 4.14Å; L702-E705 WeakPolarHBondContact CA-OE2 3.46Å; L702-E705 WeakPolarHBondContact CB-OE2 3.49Å; L702-E705 VanDerWaalsContact CG-OE2 3.27Å; L702-E705 WeakPolarHBondContact CG-OE2 3.32Å; L702-E705 PolarHBondContact N-OE2 3.33Å; L702-E705 WeakPolarHBondContact O-CB 3.45Å; L702-E705 PolarHBondContact O-N 3.39Å; P703-E705 VanDerWaalsContact C-N 3.34Å; E705-T707 VanDerWaalsContact C-N 3.31Å; E705-T707 PolarHBondContact O-N 2.91Å; E705-A722 HydrophobicContact CG-CB 4.2Å; E705-A722 WeakPolarHBondContact CG-O 3.46Å; E705-T726 VanDerWaalsContact OE1-CA 3.25Å; E705-T726 WeakPolarHBondContact OE1-CA 3.28Å; E705-T726 WeakPolarHBondContact OE1-CB 3.12Å; E705-T726 PolarHBondContact OE1-N 2.93Å; E705-T726 PolarHBondContact OE1-OG1 3.36Å; E705-R729 IonicContact OE1-CZ 3.62Å; E705-R729 IonicContact OE1-NH1 2.66Å; E705-R729 PolarHBondContact OE1-NH1 2.88Å; E705-R729 IonicContact OE1-NH2 2.62Å; E705-R729 PolarHBondContact OE1-NH2 2.89Å; E705-R729 IonicContact OE2-CZ 3.88Å; E705-R729 IonicContact OE2-NH1 3.39Å; E705-R729 IonicContact OE2-NH2 3.09Å; E705-R729 PolarHBondContact OE2-NH2 3.06Å |
| 706 | C | 57.2 | Low | 59.5 | Low | 78 Ų | 78 | 89.4 Ų | 89.4 | 53% | 0.527 | 49% | 0.49 | S | S | . | . | trans | -77.4 | 71.9 | 178.3 | -61.3 | 0 | 0 | 0 | 0 | 111.8 | L702 | L702-C706 PolarHBondContact O-N 3.44Š| ||
| 707 | T | 49.7 | Very low | 57 | Low | 87 Ų | 87 | 90.8 Ų | 90.8 | 53% | 0.534 | 50% | 0.503 | S | S | . | . | trans | -112.8 | 77.9 | 168.7 | 52 | 0 | 0 | 0 | 0 | 112.1 | E705 R711 | E705-T707 VanDerWaalsContact C-N 3.31Å; E705-T707 PolarHBondContact O-N 2.91Å; T707-R711 HydrophobicContact CG2-CG 3.93Å | ||
| 708 | T | 36.6 | Very low | 54.6 | Low | 132 Ų | 132 | 94.7 Ų | 94.7 | 81% | 0.81 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -93.6 | 112.9 | 147.3 | 35.8 | 0 | 0 | 0 | 0 | 107.7 | ||
| 709 | F | 35.5 | Very low | 52.5 | Low | 188 Ų | 188 | 100.5 Ų | 100.5 | 83% | 0.825 | 55% | 0.553 | S | S | * | * | S | Bend | trans | 66.6 | 116.7 | 171.7 | -95.3 | -108.6 | 0 | 0 | 0 | 118.1 | ||
| 710 | F | 31.9 | Very low | 50.9 | Low | 192 Ų | 192 | 102.2 Ų | 102.2 | 84% | 0.842 | 57% | 0.566 | S | S | * | * | trans | 59.8 | 97.4 | 168.4 | -74.9 | -90.8 | 0 | 0 | 0 | 118.7 | ||||
| 711 | R | 39 | Very low | 50.2 | Low | 110 Ų | 110 | 98.1 Ų | 98.1 | 42% | 0.415 | 55% | 0.546 | S | S | . | . | trans | -93.6 | 128.2 | 149.2 | -78.4 | -160.8 | -163.3 | -98.4 | -27.3 | 110 | P703 S704 T707 C715 | P703-R711 PolarHBondContact O-NH2 2.88Å; S704-R711 VanDerWaalsContact C-NH2 3.28Å; S704-R711 PolarHBondContact O-NH2 2.92Å; T707-R711 HydrophobicContact CG2-CG 3.93Å; R711-C715 PolarHBondContact NH1-SG 3.44Å | ||
| 712 | L | 35 | Very low | 50.2 | Low | 152 Ų | 152 | 97.7 Ų | 97.7 | 80% | 0.796 | 55% | 0.545 | S | S | * | . | trans | -60.3 | 145.7 | 159.5 | -80.8 | 121.8 | 0 | 0 | 0 | 109.6 | T714 | L712-T714 PolarHBondContact O-N 3.49Š| ||
| 713 | S | 40.8 | Very low | 50.3 | Low | 127 Ų | 127 | 97 Ų | 97 | 89% | 0.888 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | 14 | -172.7 | 61.5 | 0 | 0 | 0 | 0 | 116.7 | ||
| 714 | T | 35.4 | Very low | 51 | Low | 120 Ų | 120 | 92.4 Ų | 92.4 | 74% | 0.736 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | 3.4 | -174.7 | 51.6 | 0 | 0 | 0 | 0 | 114.9 | L712 L716 | L712-T714 PolarHBondContact O-N 3.49Å; T714-L716 PolarHBondContact O-N 3Å |
| 715 | C | 36.6 | Very low | 51.9 | Low | 66 Ų | 66 | 91.6 Ų | 91.6 | 45% | 0.446 | 51% | 0.505 | S | S | . | . | trans | -85.3 | 104.1 | 175.1 | -136.2 | 0 | 0 | 0 | 0 | 110.9 | R711 L717 | R711-C715 PolarHBondContact NH1-SG 3.44Å; C715-L717 VanDerWaalsContact C-N 3.28Å; C715-L717 PolarHBondContact O-N 3.2Å | ||
| 716 | L | 37.7 | Very low | 52.4 | Low | 176 Ų | 176 | 91 Ų | 91 | 92% | 0.921 | 50% | 0.502 | S | S | * | . | trans | -79.6 | 8.3 | -176.4 | -74.2 | 166.8 | 0 | 0 | 0 | 115.1 | T714 | T714-L716 PolarHBondContact O-N 3Š| ||
| 717 | L | 40.1 | Very low | 53.7 | Low | 114 Ų | 114 | 87.4 Ų | 87.4 | 60% | 0.597 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -83.1 | 130.6 | 174.1 | -70.6 | 173.4 | 0 | 0 | 0 | 110.1 | C715 I719 | C715-L717 VanDerWaalsContact C-N 3.28Å; C715-L717 PolarHBondContact O-N 3.2Å; L717-I719 PolarHBondContact O-N 2.87Å |
| 718 | P | 40 | Very low | 55.6 | Low | 86 Ų | 86 | 83.2 Ų | 83.2 | 56% | 0.558 | 45% | 0.453 | S | S | * | . | trans | -62.6 | 135.9 | 177.9 | 22.2 | -29.5 | 0 | 0 | 0 | 111.4 | S720 S721 | P718-S720 PolarHBondContact O-N 3.02Å; P718-S721 PolarHBondContact O-N 3.17Å; P718-S721 VanDerWaalsContact O-N 3.15Å; P718-S721 PolarHBondContact O-OG 3.12Å | ||
| 719 | I | 43.7 | Very low | 58 | Low | 145 Ų | 145 | 77 Ų | 77 | 74% | 0.744 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.8 | -31.2 | -177.5 | -63 | 167.3 | 0 | 0 | 0 | 112.6 | Q381 L717 S721 | Q381-I719 HydrophobicContact CB-CG2 4.34Å; L717-I719 PolarHBondContact O-N 2.87Å; I719-S721 VanDerWaalsContact C-N 3.33Å; I719-S721 PolarHBondContact O-N 2.78Å |
| 720 | S | 52.1 | Low | 60.2 | Low | 49 Ų | 49 | 68 Ų | 68 | 34% | 0.343 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -71.1 | -19.9 | -176 | 60.1 | 0 | 0 | 0 | 0 | 115.1 | P718 T724 | P718-S720 PolarHBondContact O-N 3.02Å; S720-T724 PolarHBondContact O-OG1 2.88Å |
| 721 | S | 67.2 | Low | 62.8 | Low | 25 Ų | 25 | 58.9 Ų | 58.9 | 18% | 0.175 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -74.7 | -26.6 | -176.7 | 58 | 0 | 0 | 0 | 0 | 113.8 | P718 I719 T724 D725 | P718-S721 PolarHBondContact O-N 3.17Å; P718-S721 VanDerWaalsContact O-N 3.15Å; P718-S721 PolarHBondContact O-OG 3.12Å; I719-S721 VanDerWaalsContact C-N 3.33Å; I719-S721 PolarHBondContact O-N 2.78Å; S721-T724 PolarHBondContact O-OG1 2.87Å; S721-D725 VanDerWaalsContact O-CB 3.28Å; S721-D725 WeakPolarHBondContact O-CB 3.1Å; S721-D725 PolarHBondContact O-N 2.74Å |
| 722 | A | 79.3 | Confident | 65.3 | Low | 20 Ų | 20 | 53.7 Ų | 53.7 | 17% | 0.165 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.4 | -50.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E705 T724 D725 T726 | E705-A722 HydrophobicContact CG-CB 4.2Å; E705-A722 WeakPolarHBondContact CG-O 3.46Å; A722-T724 PolarHBondContact O-N 3.07Å; A722-D725 PolarHBondContact O-N 2.71Å; A722-T726 PolarHBondContact O-N 3Å; A722-T726 VanDerWaalsContact O-N 3.12Å; A722-T726 PolarHBondContact O-OG1 3.37Å |
| 723 | H | 84.3 | Confident | 67.9 | Low | 21 Ų | 21 | 46.6 Ų | 46.6 | 10% | 0.097 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.3 | -46.6 | -179.7 | 179.9 | 78.9 | 0 | 0 | 0 | 111.6 | Q333 Q381 Y382 D725 T726 L727 | Q333-H723 PolarHBondContact OE1-NE2 2.99Å; Q381-H723 WeakPolarHBondContact O-CB 3.46Å; Y382-H723 AromaticContact CD1-CD2 3.85Å; Y382-H723 AromaticContact CD1-CE1 3.35Å; Y382-H723 WeakPolarHBondContact CD1-CE1 3.14Å; Y382-H723 AromaticContact CD1-CG 3.77Å; Y382-H723 AromaticContact CD1-ND1 3.47Å; Y382-H723 WeakPolarHBondContact CD1-ND1 3.42Å; Y382-H723 AromaticContact CD1-NE2 3.58Å; Y382-H723 AromaticContact CE1-CE1 3.59Å; Y382-H723 AromaticContact CE1-ND1 3.7Å; Y382-H723 AromaticContact CG-NE2 3.92Å; Y382-H723 PolarHBondContact O-CD2 3.12Å; H723-D725 PolarHBondContact O-N 2.76Å; H723-T726 WeakPolarHBondContact O-CA 3.29Å; H723-T726 VanDerWaalsContact O-CB 3.26Å; H723-T726 WeakPolarHBondContact O-CB 3.23Å; H723-T726 PolarHBondContact O-N 3.19Å; H723-T726 VanDerWaalsContact O-N 3.12Å; H723-L727 WeakPolarHBondContact O-CG 3.44Å; H723-L727 PolarHBondContact O-N 2.99Å; H723-L727 VanDerWaalsContact O-N 3.1Å |
| 724 | T | 86.8 | Confident | 70.1 | Confident | 10 Ų | 10 | 41 Ų | 41 | 6% | 0.061 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.4 | -32.9 | -179.7 | 48.3 | 0 | 0 | 0 | 0 | 112.8 | D383 F656 S720 S721 A722 T726 L727 L728 | D383-T724 HydrophobicContact CB-CG2 4.27Å; F656-T724 HydrophobicContact CB-CG2 4.26Å; S720-T724 PolarHBondContact O-OG1 2.88Å; S721-T724 PolarHBondContact O-OG1 2.87Å; A722-T724 PolarHBondContact O-N 3.07Å; T724-T726 VanDerWaalsContact C-N 3.33Å; T724-L727 PolarHBondContact O-N 3.16Å; T724-L728 VanDerWaalsContact O-CB 3.31Å; T724-L728 WeakPolarHBondContact O-CB 3.32Å; T724-L728 PolarHBondContact O-N 3.45Å |
| 725 | D | 88.3 | Confident | 72.7 | Confident | 3 Ų | 3 | 35.3 Ų | 35.3 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62 | -40.3 | 169.7 | -77.6 | -24.7 | 0 | 0 | 0 | 111.8 | R696 L697 S721 A722 H723 L727 L728 R729 | R696-D725 IonicContact CZ-OD1 2.98Å; R696-D725 VanDerWaalsContact CZ-OD1 3.23Å; R696-D725 IonicContact CZ-OD2 3.71Å; R696-D725 IonicContact NH1-OD1 3.11Å; R696-D725 PolarHBondContact NH1-OD1 3.31Å; R696-D725 IonicContact NH1-OD2 3.42Å; R696-D725 IonicContact NH2-OD1 2.69Å; R696-D725 PolarHBondContact NH2-OD1 3.14Å; R696-D725 IonicContact NH2-OD2 2.67Å; R696-D725 PolarHBondContact NH2-OD2 3.37Å; L697-D725 HydrophobicContact CD2-CB 3.92Å; S721-D725 VanDerWaalsContact O-CB 3.28Å; S721-D725 WeakPolarHBondContact O-CB 3.1Å; S721-D725 PolarHBondContact O-N 2.74Å; A722-D725 PolarHBondContact O-N 2.71Å; H723-D725 PolarHBondContact O-N 2.76Å; D725-L727 VanDerWaalsContact C-N 3.31Å; D725-L727 PolarHBondContact O-N 2.85Å; D725-L728 PolarHBondContact O-N 3.33Å; D725-R729 PolarHBondContact O-N 2.82Å |
| 726 | T | 84.1 | Confident | 75.5 | Confident | 9 Ų | 9 | 32.2 Ų | 32.2 | 6% | 0.055 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60 | -40.9 | 172.9 | -56.4 | 0 | 0 | 0 | 0 | 111.5 | A329 E705 A722 H723 T724 P730 D764 A767 | A329-T726 HydrophobicContact CB-CG2 4.09Å; E705-T726 VanDerWaalsContact OE1-CA 3.25Å; E705-T726 WeakPolarHBondContact OE1-CA 3.28Å; E705-T726 WeakPolarHBondContact OE1-CB 3.12Å; E705-T726 PolarHBondContact OE1-N 2.93Å; E705-T726 PolarHBondContact OE1-OG1 3.36Å; A722-T726 PolarHBondContact O-N 3Å; A722-T726 VanDerWaalsContact O-N 3.12Å; A722-T726 PolarHBondContact O-OG1 3.37Å; H723-T726 WeakPolarHBondContact O-CA 3.29Å; H723-T726 VanDerWaalsContact O-CB 3.26Å; H723-T726 WeakPolarHBondContact O-CB 3.23Å; H723-T726 PolarHBondContact O-N 3.19Å; H723-T726 VanDerWaalsContact O-N 3.12Å; T724-T726 VanDerWaalsContact C-N 3.33Å; T726-P730 VanDerWaalsContact O-CD 3.23Å; T726-P730 WeakPolarHBondContact O-CD 3.14Å; T726-D764 HydrophobicContact CG2-CB 4.49Å; T726-A767 HydrophobicContact CG2-CB 4.02Å; T726-A767 WeakPolarHBondContact O-CB 3.39Å |
| 727 | L | 84.2 | Confident | 78.1 | Confident | 3 Ų | 3 | 23.8 Ų | 23.8 | 2% | 0.016 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -70.3 | -33.1 | 176 | -44.9 | -174.5 | 0 | 0 | 0 | 112.8 | V330 F656 H723 T724 D725 P730 V769 | V330-L727 HydrophobicContact CB-CD2 4.28Å; V330-L727 HydrophobicContact CG2-CD2 3.21Å; V330-L727 HydrophobicContact CG2-CG 4.46Å; F656-L727 HydrophobicContact CD1-CD1 4.17Å; F656-L727 HydrophobicContact CD2-CB 3.59Å; F656-L727 HydrophobicContact CE1-CB 4.5Å; F656-L727 HydrophobicContact CE1-CD1 3.95Å; F656-L727 HydrophobicContact CE2-CB 3.45Å; F656-L727 VanDerWaalsContact CE2-CB 3.45Å; F656-L727 HydrophobicContact CE2-CD1 4.38Å; F656-L727 HydrophobicContact CG-CB 4.17Å; F656-L727 HydrophobicContact CG-CD1 4.48Å; F656-L727 HydrophobicContact CZ-CB 3.96Å; F656-L727 HydrophobicContact CZ-CD1 4.06Å; H723-L727 WeakPolarHBondContact O-CG 3.44Å; H723-L727 PolarHBondContact O-N 2.99Å; H723-L727 VanDerWaalsContact O-N 3.1Å; T724-L727 PolarHBondContact O-N 3.16Å; D725-L727 VanDerWaalsContact C-N 3.31Å; D725-L727 PolarHBondContact O-N 2.85Å; L727-P730 WeakPolarHBondContact O-CD 3.32Å; L727-V769 WeakPolarHBondContact O-CG2 3.17Å |
| 728 | L | 88 | Confident | 80.4 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -77.6 | -42.2 | -173.6 | 179.4 | 54.8 | 0 | 0 | 0 | 112.8 | T654 F656 W659 I693 L697 T724 D725 P730 I731 I732 | T654-L728 WeakPolarHBondContact O-CD2 3.39Å; F656-L728 HydrophobicContact CB-CB 4.41Å; F656-L728 HydrophobicContact CD2-CB 4.11Å; W659-L728 HydrophobicContact CB-CD1 3.32Å; W659-L728 HydrophobicContact CB-CD2 4.44Å; W659-L728 HydrophobicContact CG-CD1 3.74Å; W659-L728 HydrophobicContact CG-CD2 4.21Å; I693-L728 HydrophobicContact CD1-CD2 4Å; I693-L728 HydrophobicContact CG1-CD2 4.2Å; L697-L728 HydrophobicContact CD1-CB 4.27Å; L697-L728 HydrophobicContact CD1-CD2 3.96Å; L697-L728 HydrophobicContact CD1-CG 3.76Å; T724-L728 VanDerWaalsContact O-CB 3.31Å; T724-L728 WeakPolarHBondContact O-CB 3.32Å; T724-L728 PolarHBondContact O-N 3.45Å; D725-L728 PolarHBondContact O-N 3.33Å; L728-P730 VanDerWaalsContact C-CD 3.48Å; L728-I731 HydrophobicContact CD1-CB 4.41Å; L728-I731 HydrophobicContact CD1-CD1 4.44Å; L728-I731 WeakPolarHBondContact O-CB 3.38Å; L728-I731 PolarHBondContact O-N 3.14Å; L728-I732 HydrophobicContact CD1-CD1 3.92Å; L728-I732 HydrophobicContact CD1-CG1 3.94Å; L728-I732 HydrophobicContact CG-CG1 4.06Å; L728-I732 PolarHBondContact O-N 2.95Å |
| 729 | R | 88.8 | Confident | 82.9 | Confident | 1 Ų | 1 | 15 Ų | 15 | 0% | 0.004 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -48.4 | -47.9 | -176.4 | 173.4 | -171.5 | -56.1 | 91.6 | 11.9 | 113.9 | L697 N700 E705 D725 I731 I732 L733 | L697-R729 HydrophobicContact CD1-CB 4.34Å; N700-R729 PolarHBondContact O-NE 3.42Å; E705-R729 IonicContact OE1-CZ 3.62Å; E705-R729 IonicContact OE1-NH1 2.66Å; E705-R729 PolarHBondContact OE1-NH1 2.88Å; E705-R729 IonicContact OE1-NH2 2.62Å; E705-R729 PolarHBondContact OE1-NH2 2.89Å; E705-R729 IonicContact OE2-CZ 3.88Å; E705-R729 IonicContact OE2-NH1 3.39Å; E705-R729 IonicContact OE2-NH2 3.09Å; E705-R729 PolarHBondContact OE2-NH2 3.06Å; D725-R729 PolarHBondContact O-N 2.82Å; R729-I731 VanDerWaalsContact C-N 3.31Å; R729-I731 PolarHBondContact O-N 3.09Å; R729-I732 PolarHBondContact O-N 2.85Å; R729-L733 HydrophobicContact CG-CD1 3.55Å; R729-L733 HydrophobicContact CG-CG 4.1Å; R729-L733 WeakPolarHBondContact O-CG 3.21Å; R729-L733 PolarHBondContact O-N 2.84Å |
| 730 | P | 81.7 | Confident | 85.2 | Confident | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -64.4 | -30.1 | 178.1 | -14.8 | 25.4 | 0 | 0 | 0 | 113.7 | T726 L727 L728 I732 R734 A767 V769 F780 Q783 | T726-P730 VanDerWaalsContact O-CD 3.23Å; T726-P730 WeakPolarHBondContact O-CD 3.14Å; L727-P730 WeakPolarHBondContact O-CD 3.32Å; L728-P730 VanDerWaalsContact C-CD 3.48Å; P730-I732 VanDerWaalsContact C-N 3.35Å; P730-R734 WeakPolarHBondContact O-CB 3.35Å; P730-R734 PolarHBondContact O-N 3.32Å; P730-A767 WeakPolarHBondContact CB-O 3.34Å; P730-A767 HydrophobicContact CG-CB 3.35Å; P730-A767 WeakPolarHBondContact CG-O 3.37Å; P730-V769 HydrophobicContact CB-CG2 3.97Å; P730-V769 HydrophobicContact CG-CG2 4.39Å; P730-F780 HydrophobicContact CB-CD2 4.25Å; P730-Q783 VanDerWaalsContact O-CD 3.3Å; P730-Q783 PolarHBondContact O-NE2 2.88Å; P730-Q783 VanDerWaalsContact O-NE2 3.14Å; P730-Q783 PolarHBondContact O-OE1 2.58Å |
| 731 | I | 85.2 | Confident | 87.3 | Confident | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -61.5 | -49.7 | 174.1 | -57.9 | -174.7 | 0 | 0 | 0 | 109.6 | F656 A660 D663 L728 R729 R735 V769 | F656-I731 HydrophobicContact CD2-CD1 4.14Å; F656-I731 HydrophobicContact CE2-CD1 3.67Å; A660-I731 HydrophobicContact CB-CD1 4.39Å; D663-I731 HydrophobicContact CB-CG2 3.58Å; L728-I731 HydrophobicContact CD1-CB 4.41Å; L728-I731 HydrophobicContact CD1-CD1 4.44Å; L728-I731 WeakPolarHBondContact O-CB 3.38Å; L728-I731 PolarHBondContact O-N 3.14Å; R729-I731 VanDerWaalsContact C-N 3.31Å; R729-I731 PolarHBondContact O-N 3.09Å; I731-R735 WeakPolarHBondContact O-CB 3.36Å; I731-R735 PolarHBondContact O-N 3.47Å; I731-V769 HydrophobicContact CD1-CB 4.48Å; I731-V769 HydrophobicContact CD1-CG1 3.57Å; I731-V769 HydrophobicContact CD1-CG2 4.12Å; I731-V769 HydrophobicContact CG1-CB 3.99Å; I731-V769 HydrophobicContact CG1-CG1 3.56Å; I731-V769 HydrophobicContact CG1-CG2 3.33Å |
| 732 | I | 91.5 | Very high | 88.5 | Confident | 1 Ų | 1 | 14.1 Ų | 14.1 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -66 | -49.7 | -175.6 | -57 | -50.3 | 0 | 0 | 0 | 110.6 | W659 Y690 I693 L697 L728 R729 P730 R734 R735 L736 | W659-I732 HydrophobicContact CD2-CD1 4.02Å; W659-I732 HydrophobicContact CE3-CD1 3.85Å; W659-I732 HydrophobicContact CG-CD1 4.45Å; W659-I732 HydrophobicContact CZ3-CD1 4.29Å; Y690-I732 HydrophobicContact CD1-CD1 3.77Å; Y690-I732 HydrophobicContact CD1-CG2 4.25Å; Y690-I732 HydrophobicContact CE1-CD1 3.83Å; I693-I732 HydrophobicContact CG1-CD1 4.23Å; I693-I732 HydrophobicContact CG1-CG1 4.08Å; I693-I732 HydrophobicContact CG2-CD1 3.8Å; I693-I732 HydrophobicContact CG2-CG1 4.12Å; I693-I732 HydrophobicContact CG2-CG2 3.96Å; L697-I732 HydrophobicContact CD1-CG1 4.07Å; L728-I732 HydrophobicContact CD1-CD1 3.92Å; L728-I732 HydrophobicContact CD1-CG1 3.94Å; L728-I732 HydrophobicContact CG-CG1 4.06Å; L728-I732 PolarHBondContact O-N 2.95Å; R729-I732 PolarHBondContact O-N 2.85Å; P730-I732 VanDerWaalsContact C-N 3.35Å; I732-R734 PolarHBondContact O-N 2.98Å; I732-R735 PolarHBondContact O-N 2.87Å; I732-L736 HydrophobicContact CG2-CD1 4.04Å; I732-L736 WeakPolarHBondContact O-CB 3.43Å; I732-L736 WeakPolarHBondContact O-CG 3.42Å; I732-L736 PolarHBondContact O-N 3.36Å |
| 733 | L | 90.2 | Very high | 89.1 | Confident | 3 Ų | 3 | 15.7 Ų | 15.7 | 2% | 0.016 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.8 | -44.5 | -179.2 | -66.3 | 178.9 | 0 | 0 | 0 | 111.8 | Y694 F699 R729 R735 L736 G737 V744 F780 | Y694-L733 HydrophobicContact CD2-CD2 3.67Å; Y694-L733 HydrophobicContact CE2-CD2 3.55Å; F699-L733 HydrophobicContact CD1-CD1 4.37Å; F699-L733 HydrophobicContact CD2-CD1 4.01Å; F699-L733 HydrophobicContact CD2-CD2 3.61Å; F699-L733 HydrophobicContact CD2-CG 4.47Å; F699-L733 HydrophobicContact CE1-CD1 4.46Å; F699-L733 HydrophobicContact CE2-CD1 4.12Å; F699-L733 HydrophobicContact CE2-CD2 3.71Å; F699-L733 HydrophobicContact CE2-CG 4.43Å; F699-L733 HydrophobicContact CG-CD1 4.16Å; F699-L733 HydrophobicContact CG-CD2 4.46Å; F699-L733 HydrophobicContact CZ-CD1 4.35Å; R729-L733 HydrophobicContact CG-CD1 3.55Å; R729-L733 HydrophobicContact CG-CG 4.1Å; R729-L733 WeakPolarHBondContact O-CG 3.21Å; R729-L733 PolarHBondContact O-N 2.84Å; L733-R735 PolarHBondContact O-N 3.23Å; L733-L736 PolarHBondContact O-N 3.36Å; L733-G737 PolarHBondContact O-N 2.91Å; L733-V744 HydrophobicContact CD2-CG2 4.19Å; L733-V744 WeakPolarHBondContact O-CG1 3.42Å; L733-F780 HydrophobicContact CB-CE2 4.05Å; L733-F780 HydrophobicContact CD1-CD2 4.42Å; L733-F780 HydrophobicContact CD1-CE2 3.36Å; L733-F780 HydrophobicContact CD1-CZ 3.78Å; L733-F780 HydrophobicContact CG-CE2 4.34Å |
| 734 | R | 86.9 | Confident | 89.5 | Confident | 10 Ų | 10 | 14.7 Ų | 14.7 | 4% | 0.038 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -58.1 | -49.8 | 174.1 | -179.6 | -176.5 | 54.2 | 67.9 | 3.8 | 111.5 | D663 P730 I732 L736 G737 E738 Q783 | D663-R734 IonicContact OD1-NH2 3.83Å; D663-R734 IonicContact OD2-CZ 2.93Å; D663-R734 IonicContact OD2-NH1 3.81Å; D663-R734 IonicContact OD2-NH2 2.78Å; D663-R734 PolarHBondContact OD2-NH2 2.89Å; P730-R734 WeakPolarHBondContact O-CB 3.35Å; P730-R734 PolarHBondContact O-N 3.32Å; I732-R734 PolarHBondContact O-N 2.98Å; R734-L736 PolarHBondContact O-N 3.34Å; R734-G737 PolarHBondContact O-N 3.32Å; R734-E738 WeakPolarHBondContact CD-OE1 3.16Å; R734-E738 HydrophobicContact CG-CG 4.25Å; R734-E738 VanDerWaalsContact CG-OE1 3.3Å; R734-E738 WeakPolarHBondContact CG-OE1 3.45Å; R734-E738 IonicContact NH1-OE1 2.81Å; R734-E738 PolarHBondContact NH1-OE1 3.08Å; R734-E738 IonicContact NH1-OE2 3.05Å; R734-E738 PolarHBondContact NH1-OE2 2.67Å; R734-E738 VanDerWaalsContact O-CB 3.31Å; R734-E738 WeakPolarHBondContact O-CB 3.42Å; R734-E738 VanDerWaalsContact O-CG 3.29Å; R734-E738 WeakPolarHBondContact O-CG 3.47Å; R734-E738 PolarHBondContact O-N 3.19Å; R734-Q783 HydrophobicContact CB-CG 4.26Å |
| 735 | R | 90.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.6 | -42.1 | -177.1 | 178.2 | 57.9 | 60.5 | -147 | -7.3 | 112.1 | D663 V686 Y690 I731 I732 L733 E738 S739 | D663-R735 IonicContact OD1-CZ 3.65Å; D663-R735 IonicContact OD1-NE 2.67Å; D663-R735 PolarHBondContact OD1-NE 3.45Å; D663-R735 IonicContact OD1-NH2 2.78Å; D663-R735 PolarHBondContact OD1-NH2 2.77Å; D663-R735 IonicContact OD2-NH2 2.82Å; D663-R735 PolarHBondContact OD2-NH2 3.47Å; V686-R735 HydrophobicContact CG1-CG 3.56Å; Y690-R735 HydrophobicContact CD1-CB 4.04Å; Y690-R735 HydrophobicContact CD1-CG 3.88Å; Y690-R735 HydrophobicContact CE1-CB 3.62Å; Y690-R735 HydrophobicContact CE1-CG 3.41Å; Y690-R735 VanDerWaalsContact CE1-CG 3.41Å; Y690-R735 HydrophobicContact CE2-CG 4.12Å; Y690-R735 HydrophobicContact CG-CG 4.42Å; I731-R735 WeakPolarHBondContact O-CB 3.36Å; I731-R735 PolarHBondContact O-N 3.47Å; I732-R735 PolarHBondContact O-N 2.87Å; L733-R735 PolarHBondContact O-N 3.23Å; R735-E738 IonicContact CZ-OE2 2.66Å; R735-E738 IonicContact NH1-OE2 2.77Å; R735-E738 PolarHBondContact NH1-OE2 2.85Å; R735-E738 IonicContact NH2-OE2 3.81Å; R735-S739 VanDerWaalsContact O-CB 3.27Å; R735-S739 WeakPolarHBondContact O-CB 3.36Å; R735-S739 PolarHBondContact O-N 2.91Å; R735-S739 PolarHBondContact O-OG 2.89Å |
| 736 | L | 93.9 | Very high | 90 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.7 | -45.7 | 176.6 | -77.1 | 176.1 | 0 | 0 | 0 | 111.8 | R687 Y694 I732 L733 R734 S739 G740 D741 V744 | R687-L736 HydrophobicContact CB-CD2 4.47Å; R687-L736 HydrophobicContact CG-CD2 4.37Å; Y694-L736 HydrophobicContact CD1-CD1 4.3Å; Y694-L736 HydrophobicContact CD2-CD1 3.89Å; Y694-L736 HydrophobicContact CG-CD1 3.63Å; I732-L736 HydrophobicContact CG2-CD1 4.04Å; I732-L736 WeakPolarHBondContact O-CB 3.43Å; I732-L736 WeakPolarHBondContact O-CG 3.42Å; I732-L736 PolarHBondContact O-N 3.36Å; L733-L736 PolarHBondContact O-N 3.36Å; R734-L736 PolarHBondContact O-N 3.34Å; L736-S739 CarbonylContact O-C 3.58Å; L736-S739 WeakPolarHBondContact O-CA 3.3Å; L736-S739 PolarHBondContact O-N 3.45Å; L736-G740 PolarHBondContact O-N 3.01Å; L736-G740 VanDerWaalsContact O-N 3.16Å; L736-D741 HydrophobicContact CB-CB 3.98Å; L736-D741 HydrophobicContact CD2-CB 4.38Å; L736-D741 WeakPolarHBondContact O-CB 3.49Å; L736-D741 PolarHBondContact O-N 2.94Å; L736-V744 HydrophobicContact CB-CB 4.45Å; L736-V744 HydrophobicContact CB-CG1 4.47Å; L736-V744 HydrophobicContact CB-CG2 3.95Å; L736-V744 HydrophobicContact CD1-CG2 4.11Å |
| 737 | G | 92.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.8 | -40.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | L733 R734 S739 G740 H791 | L733-G737 PolarHBondContact O-N 2.91Å; R734-G737 PolarHBondContact O-N 3.32Å; G737-S739 PolarHBondContact O-N 3.17Å; G737-G740 PolarHBondContact O-N 2.98Å; G737-H791 PolarHBondContact O-NE2 3.48Å |
| 738 | E | 88.8 | Confident | 90.6 | Very high | 10 Ų | 10 | 21.4 Ų | 21.4 | 5% | 0.047 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.2 | -25.4 | 172.3 | -77.1 | 177.7 | -170.8 | 0 | 0 | 112.2 | R670 R734 R735 R855 | R670-E738 IonicContact CZ-OE2 3.94Å; R670-E738 IonicContact NH1-OE2 2.77Å; R670-E738 PolarHBondContact NH1-OE2 3.07Å; R734-E738 WeakPolarHBondContact CD-OE1 3.16Å; R734-E738 HydrophobicContact CG-CG 4.25Å; R734-E738 VanDerWaalsContact CG-OE1 3.3Å; R734-E738 WeakPolarHBondContact CG-OE1 3.45Å; R734-E738 IonicContact NH1-OE1 2.81Å; R734-E738 PolarHBondContact NH1-OE1 3.08Å; R734-E738 IonicContact NH1-OE2 3.05Å; R734-E738 PolarHBondContact NH1-OE2 2.67Å; R734-E738 VanDerWaalsContact O-CB 3.31Å; R734-E738 WeakPolarHBondContact O-CB 3.42Å; R734-E738 VanDerWaalsContact O-CG 3.29Å; R734-E738 WeakPolarHBondContact O-CG 3.47Å; R734-E738 PolarHBondContact O-N 3.19Å; R735-E738 IonicContact CZ-OE2 2.66Å; R735-E738 IonicContact NH1-OE2 2.77Å; R735-E738 PolarHBondContact NH1-OE2 2.85Å; R735-E738 IonicContact NH2-OE2 3.81Å; E738-R855 IonicContact OE1-CZ 3.93Å; E738-R855 IonicContact OE1-NE 2.85Å; E738-R855 IonicContact OE1-NH2 3.75Å; E738-R855 PolarHBondContact OE1-NH2 3.43Å; E738-R855 IonicContact OE2-NH2 3.35Å |
| 739 | S | 93 | Very high | 90.7 | Very high | 4 Ų | 4 | 24.5 Ų | 24.5 | 3% | 0.028 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 10.6 | 177.6 | -52.9 | 0 | 0 | 0 | 0 | 112.8 | V686 R687 R735 L736 G737 | V686-S739 VanDerWaalsContact CG1-OG 3.3Å; V686-S739 WeakPolarHBondContact CG1-OG 3.41Å; R687-S739 WeakPolarHBondContact CD-O 3.39Å; R687-S739 PolarHBondContact NH1-O 3.42Å; R735-S739 VanDerWaalsContact O-CB 3.27Å; R735-S739 WeakPolarHBondContact O-CB 3.36Å; R735-S739 PolarHBondContact O-N 2.91Å; R735-S739 PolarHBondContact O-OG 2.89Å; L736-S739 CarbonylContact O-C 3.58Å; L736-S739 WeakPolarHBondContact O-CA 3.3Å; L736-S739 PolarHBondContact O-N 3.45Å; G737-S739 PolarHBondContact O-N 3.17Å |
| 740 | G | 92.7 | Very high | 90.8 | Very high | 30 Ų | 30 | 27.1 Ų | 27.1 | 31% | 0.309 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77 | 26.6 | 174 | 0 | 0 | 0 | 0 | 0 | 115.3 | L736 G737 E742 | L736-G740 PolarHBondContact O-N 3.01Å; L736-G740 VanDerWaalsContact O-N 3.16Å; G737-G740 PolarHBondContact O-N 2.98Å; G740-E742 PolarHBondContact O-N 3.2Å |
| 741 | D | 94.6 | Very high | 91.1 | Very high | 5 Ų | 5 | 28.2 Ų | 28.2 | 3% | 0.027 | 17% | 0.165 | C | C | . | . | trans | -68.7 | 111.9 | 172 | -173.9 | -80.2 | 0 | 0 | 0 | 111 | R687 R691 L736 S743 V744 I745 | R687-D741 HydrophobicContact CG-CB 4.39Å; R691-D741 IonicContact CZ-OD2 2.73Å; R691-D741 IonicContact NH1-OD2 2.66Å; R691-D741 PolarHBondContact NH1-OD2 3.32Å; R691-D741 IonicContact NH2-OD2 3.83Å; R691-D741 PolarHBondContact NH2-OD2 3.25Å; L736-D741 HydrophobicContact CB-CB 3.98Å; L736-D741 HydrophobicContact CD2-CB 4.38Å; L736-D741 WeakPolarHBondContact O-CB 3.49Å; L736-D741 PolarHBondContact O-N 2.94Å; D741-S743 VanDerWaalsContact C-N 3.31Å; D741-S743 PolarHBondContact O-N 2.83Å; D741-S743 WeakPolarHBondContact OD1-CB 3.35Å; D741-S743 PolarHBondContact OD1-N 3.21Å; D741-S743 VanDerWaalsContact OD1-N 3.15Å; D741-V744 HydrophobicContact CB-CB 4.15Å; D741-V744 HydrophobicContact CB-CG2 4.26Å; D741-V744 PolarHBondContact O-N 2.87Å; D741-V744 WeakPolarHBondContact OD1-CG2 3.25Å; D741-V744 PolarHBondContact OD1-N 2.78Å; D741-I745 VanDerWaalsContact O-CG1 3.3Å; D741-I745 WeakPolarHBondContact O-CG1 3.44Å; D741-I745 PolarHBondContact O-N 3.11Å | ||
| 742 | E | 93.8 | Very high | 91.3 | Very high | 167 Ų | 167 | 28.4 Ų | 28.4 | 78% | 0.78 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -60.8 | -37.4 | -174.4 | -64.3 | 178.5 | -178 | 0 | 0 | 112.8 | G740 I745 A746 | G740-E742 PolarHBondContact O-N 3.2Å; E742-I745 PolarHBondContact O-N 3.32Å; E742-A746 WeakPolarHBondContact O-CB 3.29Å; E742-A746 PolarHBondContact O-N 3.01Å |
| 743 | S | 92.5 | Very high | 91.3 | Very high | 53 Ų | 53 | 32.1 Ų | 32.1 | 37% | 0.371 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -65.5 | -44.6 | 179.2 | -177.2 | 0 | 0 | 0 | 0 | 111.4 | Y694 D741 K747 | Y694-S743 PolarHBondContact OH-OG 3.11Å; D741-S743 VanDerWaalsContact C-N 3.31Å; D741-S743 PolarHBondContact O-N 2.83Å; D741-S743 WeakPolarHBondContact OD1-CB 3.35Å; D741-S743 PolarHBondContact OD1-N 3.21Å; D741-S743 VanDerWaalsContact OD1-N 3.15Å; S743-K747 WeakPolarHBondContact O-CG 3.19Å; S743-K747 PolarHBondContact O-N 2.99Å; S743-K747 VanDerWaalsContact O-N 3.15Å |
| 744 | V | 92.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.3 | -42.4 | 177.5 | 169 | 0 | 0 | 0 | 0 | 110.9 | Y694 F699 L733 L736 D741 K747 A748 | Y694-V744 HydrophobicContact CD2-CG2 4.33Å; Y694-V744 HydrophobicContact CE2-CG2 3.79Å; F699-V744 HydrophobicContact CE2-CB 4.47Å; F699-V744 HydrophobicContact CE2-CG1 4.1Å; L733-V744 HydrophobicContact CD2-CG2 4.19Å; L733-V744 WeakPolarHBondContact O-CG1 3.42Å; L736-V744 HydrophobicContact CB-CB 4.45Å; L736-V744 HydrophobicContact CB-CG1 4.47Å; L736-V744 HydrophobicContact CB-CG2 3.95Å; L736-V744 HydrophobicContact CD1-CG2 4.11Å; D741-V744 HydrophobicContact CB-CB 4.15Å; D741-V744 HydrophobicContact CB-CG2 4.26Å; D741-V744 PolarHBondContact O-N 2.87Å; D741-V744 WeakPolarHBondContact OD1-CG2 3.25Å; D741-V744 PolarHBondContact OD1-N 2.78Å; V744-K747 PolarHBondContact O-N 3.47Å; V744-A748 WeakPolarHBondContact O-CB 3.32Å; V744-A748 PolarHBondContact O-N 3.34Å |
| 745 | I | 92.6 | Very high | 91.1 | Very high | 25 Ų | 25 | 37 Ų | 37 | 13% | 0.128 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.4 | -46.6 | 178.9 | -67.8 | 164.7 | 0 | 0 | 0 | 111 | D741 E742 K747 A748 E749 H791 | D741-I745 VanDerWaalsContact O-CG1 3.3Å; D741-I745 WeakPolarHBondContact O-CG1 3.44Å; D741-I745 PolarHBondContact O-N 3.11Å; E742-I745 PolarHBondContact O-N 3.32Å; I745-K747 VanDerWaalsContact C-N 3.34Å; I745-K747 PolarHBondContact O-N 3.23Å; I745-A748 PolarHBondContact O-N 3.21Å; I745-E749 WeakPolarHBondContact O-CB 3.43Å; I745-E749 PolarHBondContact O-N 3.33Å; I745-H791 WeakPolarHBondContact CD1-NE2 3.36Å |
| 746 | A | 93.2 | Very high | 90.9 | Very high | 56 Ų | 56 | 39.7 Ų | 39.7 | 46% | 0.463 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62 | -39.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | E742 E749 A750 | E742-A746 WeakPolarHBondContact O-CB 3.29Å; E742-A746 PolarHBondContact O-N 3.01Å; A746-E749 PolarHBondContact O-N 2.78Å; A746-A750 PolarHBondContact O-N 3.44Å; A746-A750 VanDerWaalsContact O-N 3.08Å |
| 747 | K | 90.7 | Very high | 90.6 | Very high | 85 Ų | 85 | 46.5 Ų | 46.5 | 37% | 0.37 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.8 | -39.7 | 174.8 | -72.6 | 177.5 | -175 | 177 | 0 | 112.4 | Y694 F699 S743 V744 I745 E749 A750 L751 | Y694-K747 PolarHBondContact OH-NZ 3.3Å; F699-K747 HydrophobicContact CB-CD 4.13Å; F699-K747 HydrophobicContact CD1-CB 4.36Å; F699-K747 HydrophobicContact CD2-CB 3.85Å; F699-K747 HydrophobicContact CD2-CD 3.54Å; F699-K747 HydrophobicContact CD2-CG 4.36Å; F699-K747 HydrophobicContact CE1-CB 4.13Å; F699-K747 HydrophobicContact CE2-CB 3.6Å; F699-K747 HydrophobicContact CE2-CD 4.09Å; F699-K747 HydrophobicContact CG-CB 4.21Å; F699-K747 HydrophobicContact CG-CD 3.92Å; F699-K747 HydrophobicContact CZ-CB 3.76Å; S743-K747 WeakPolarHBondContact O-CG 3.19Å; S743-K747 PolarHBondContact O-N 2.99Å; S743-K747 VanDerWaalsContact O-N 3.15Å; V744-K747 PolarHBondContact O-N 3.47Å; I745-K747 VanDerWaalsContact C-N 3.34Å; I745-K747 PolarHBondContact O-N 3.23Å; K747-E749 VanDerWaalsContact C-N 3.33Å; K747-A750 PolarHBondContact O-N 2.77Å; K747-L751 PolarHBondContact O-N 3.26Å |
| 748 | A | 89.3 | Confident | 90 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.5 | -40.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | F699 V744 I745 L751 Y752 I784 L787 M788 | F699-A748 HydrophobicContact CZ-CB 4.31Å; V744-A748 WeakPolarHBondContact O-CB 3.32Å; V744-A748 PolarHBondContact O-N 3.34Å; I745-A748 PolarHBondContact O-N 3.21Å; A748-L751 PolarHBondContact O-N 2.7Å; A748-Y752 WeakPolarHBondContact O-CB 3.26Å; A748-Y752 PolarHBondContact O-N 3.02Å; A748-I784 HydrophobicContact CB-CG1 4.49Å; A748-I784 WeakPolarHBondContact O-CG2 3.41Å; A748-L787 HydrophobicContact CB-CD1 4.14Å; A748-M788 HydrophobicContact CB-CE 3.81Å |
| 749 | E | 91.4 | Very high | 89.5 | Confident | 64 Ų | 64 | 53.1 Ų | 53.1 | 30% | 0.299 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.9 | -46.5 | 175.1 | -177 | 167.1 | -162.4 | 0 | 0 | 111.7 | I745 A746 K747 L751 Y752 E753 M788 K792 | I745-E749 WeakPolarHBondContact O-CB 3.43Å; I745-E749 PolarHBondContact O-N 3.33Å; A746-E749 PolarHBondContact O-N 2.78Å; K747-E749 VanDerWaalsContact C-N 3.33Å; E749-L751 PolarHBondContact O-N 2.7Å; E749-Y752 WeakPolarHBondContact O-CB 3.2Å; E749-Y752 PolarHBondContact O-N 3.25Å; E749-Y752 VanDerWaalsContact O-N 3.1Å; E749-E753 WeakPolarHBondContact O-CG 3.2Å; E749-E753 PolarHBondContact O-N 2.91Å; E749-M788 VanDerWaalsContact CA-SD 3.6Å; E749-M788 HydrophobicContact CB-CE 4.06Å; E749-M788 HydrophobicContact CB-SD 3.83Å; E749-M788 HydrophobicContact CG-SD 4.21Å; E749-K792 WeakPolarHBondContact OE1-CE 3.4Å; E749-K792 IonicContact OE1-NZ 2.71Å; E749-K792 PolarHBondContact OE1-NZ 2.85Å; E749-K792 WeakPolarHBondContact OE2-CE 3.24Å; E749-K792 IonicContact OE2-NZ 3.38Å; E749-K792 PolarHBondContact OE2-NZ 2.92Å |
| 750 | A | 90.6 | Very high | 88.3 | Confident | 57 Ų | 57 | 58.5 Ų | 58.5 | 47% | 0.471 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.3 | -35.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A746 K747 K754 | A746-A750 PolarHBondContact O-N 3.44Å; A746-A750 VanDerWaalsContact O-N 3.08Å; K747-A750 PolarHBondContact O-N 2.77Å; A750-K754 WeakPolarHBondContact O-CG 3.33Å; A750-K754 PolarHBondContact O-N 3.41Å |
| 751 | L | 87.2 | Confident | 87.1 | Confident | 23 Ų | 23 | 57.3 Ų | 57.3 | 12% | 0.12 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -78.2 | -32.1 | 175.7 | -73.6 | 161.3 | 0 | 0 | 0 | 112.8 | F699 K747 A748 E749 E753 K754 F755 F780 I784 | F699-L751 HydrophobicContact CD1-CD1 3.61Å; F699-L751 HydrophobicContact CE1-CD1 3.23Å; F699-L751 HydrophobicContact CZ-CD1 4.35Å; K747-L751 PolarHBondContact O-N 3.26Å; A748-L751 PolarHBondContact O-N 2.7Å; E749-L751 PolarHBondContact O-N 2.7Å; L751-E753 VanDerWaalsContact C-N 3.33Å; L751-K754 HydrophobicContact CD2-CD 4.34Å; L751-K754 WeakPolarHBondContact O-CB 3.22Å; L751-K754 PolarHBondContact O-N 3.37Å; L751-F755 PolarHBondContact O-N 3.46Å; L751-F780 HydrophobicContact CD1-CE1 4.27Å; L751-I784 HydrophobicContact CB-CD1 3.7Å; L751-I784 HydrophobicContact CD1-CD1 4.16Å |
| 752 | Y | 89.3 | Confident | 85.5 | Confident | 3 Ų | 3 | 60 Ų | 60 | 1% | 0.012 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62 | -43.1 | 172.2 | -179.3 | -116 | 0 | 0 | 0 | 111.4 | A748 E749 K754 F755 L756 I784 L785 M788 V796 Q799 L800 | A748-Y752 WeakPolarHBondContact O-CB 3.26Å; A748-Y752 PolarHBondContact O-N 3.02Å; E749-Y752 WeakPolarHBondContact O-CB 3.2Å; E749-Y752 PolarHBondContact O-N 3.25Å; E749-Y752 VanDerWaalsContact O-N 3.1Å; Y752-K754 VanDerWaalsContact C-N 3.28Å; Y752-K754 PolarHBondContact O-N 3.32Å; Y752-F755 HydrophobicContact CD2-CD1 4.23Å; Y752-F755 HydrophobicContact CE2-CD1 4.22Å; Y752-F755 WeakPolarHBondContact O-CA 3.15Å; Y752-F755 VanDerWaalsContact O-CB 3.32Å; Y752-F755 WeakPolarHBondContact O-CB 3.09Å; Y752-F755 PolarHBondContact O-N 3.47Å; Y752-F755 VanDerWaalsContact O-N 3.09Å; Y752-L756 HydrophobicContact CD1-CD1 4.03Å; Y752-L756 HydrophobicContact CD1-CG 4.41Å; Y752-L756 HydrophobicContact CE1-CD1 3.51Å; Y752-L756 HydrophobicContact CE1-CD2 4.48Å; Y752-L756 HydrophobicContact CE1-CG 4.04Å; Y752-L756 HydrophobicContact CE2-CD2 4.15Å; Y752-L756 HydrophobicContact CE2-CG 4.2Å; Y752-L756 WeakPolarHBondContact O-CG 3.39Å; Y752-L756 PolarHBondContact O-N 3.21Å; Y752-I784 HydrophobicContact CD2-CG2 4.29Å; Y752-I784 HydrophobicContact CG-CG2 4.44Å; Y752-L785 HydrophobicContact CD2-CD2 3.73Å; Y752-L785 HydrophobicContact CE2-CD2 3.78Å; Y752-M788 HydrophobicContact CD1-CB 4.34Å; Y752-M788 HydrophobicContact CD1-CG 3.82Å; Y752-M788 HydrophobicContact CD1-SD 4.35Å; Y752-M788 HydrophobicContact CD2-CB 4.38Å; Y752-M788 HydrophobicContact CD2-CG 3.95Å; Y752-M788 HydrophobicContact CE1-CB 4.49Å; Y752-M788 HydrophobicContact CE1-CG 4.44Å; Y752-M788 HydrophobicContact CG-CB 4.27Å; Y752-M788 HydrophobicContact CG-CG 3.53Å; Y752-M788 HydrophobicContact CG-SD 4.4Å; Y752-V796 HydrophobicContact CE1-CG2 3.96Å; Y752-Q799 WeakPolarHBondContact OH-CB 3.39Å; Y752-Q799 PolarHBondContact OH-OE1 2.62Å; Y752-L800 HydrophobicContact CE2-CD2 4.06Å |
| 753 | E | 90.9 | Very high | 83.9 | Confident | 79 Ų | 79 | 53.3 Ų | 53.3 | 37% | 0.369 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.6 | -36.9 | 174.9 | -69.6 | -58.6 | 149.8 | 0 | 0 | 112.2 | E749 L751 R757 | E749-E753 WeakPolarHBondContact O-CG 3.2Å; E749-E753 PolarHBondContact O-N 2.91Å; L751-E753 VanDerWaalsContact C-N 3.33Å; E753-R757 WeakPolarHBondContact O-CG 3.41Å; E753-R757 PolarHBondContact O-N 3.46Å; E753-R757 PolarHBondContact O-NH1 3.44Å; E753-R757 VanDerWaalsContact O-NH1 3.16Å |
| 754 | K | 88 | Confident | 82.1 | Confident | 91 Ų | 91 | 53.9 Ų | 53.9 | 40% | 0.396 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.5 | -44.2 | 171.5 | -71.7 | -173.7 | 176.3 | -169.4 | 0 | 112 | A750 L751 Y752 L756 R757 G758 E759 | A750-K754 WeakPolarHBondContact O-CG 3.33Å; A750-K754 PolarHBondContact O-N 3.41Å; L751-K754 HydrophobicContact CD2-CD 4.34Å; L751-K754 WeakPolarHBondContact O-CB 3.22Å; L751-K754 PolarHBondContact O-N 3.37Å; Y752-K754 VanDerWaalsContact C-N 3.28Å; Y752-K754 PolarHBondContact O-N 3.32Å; K754-L756 VanDerWaalsContact C-N 3.35Å; K754-L756 PolarHBondContact O-N 3.28Å; K754-R757 VanDerWaalsContact CG-NH2 3.33Å; K754-R757 PolarHBondContact O-N 3.16Å; K754-R757 VanDerWaalsContact O-N 3.16Å; K754-G758 PolarHBondContact O-N 2.98Å; K754-E759 HydrophobicContact CB-CB 4.09Å; K754-E759 WeakPolarHBondContact CD-OE2 3.39Å; K754-E759 VanDerWaalsContact CG-OE2 3.3Å; K754-E759 WeakPolarHBondContact CG-OE2 3Å; K754-E759 WeakPolarHBondContact O-CB 3.46Å; K754-E759 PolarHBondContact O-N 3.18Å |
| 755 | F | 86.2 | Confident | 80.1 | Confident | 25 Ų | 25 | 54 Ų | 54 | 11% | 0.11 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.1 | -45.4 | 176.4 | 170.6 | -98.9 | 0 | 0 | 0 | 111.9 | L751 Y752 R757 G758 I761 L785 T803 I812 | L751-F755 PolarHBondContact O-N 3.46Å; Y752-F755 HydrophobicContact CD2-CD1 4.23Å; Y752-F755 HydrophobicContact CE2-CD1 4.22Å; Y752-F755 WeakPolarHBondContact O-CA 3.15Å; Y752-F755 VanDerWaalsContact O-CB 3.32Å; Y752-F755 WeakPolarHBondContact O-CB 3.09Å; Y752-F755 PolarHBondContact O-N 3.47Å; Y752-F755 VanDerWaalsContact O-N 3.09Å; F755-R757 PolarHBondContact O-N 3.23Å; F755-G758 PolarHBondContact O-N 3.44Å; F755-I761 HydrophobicContact CB-CD1 3.79Å; F755-I761 HydrophobicContact CD2-CD1 4.38Å; F755-L785 HydrophobicContact CD1-CD2 3.8Å; F755-L785 HydrophobicContact CE1-CD1 4.35Å; F755-L785 HydrophobicContact CE1-CD2 3.7Å; F755-L785 HydrophobicContact CG-CD2 4.35Å; F755-L785 HydrophobicContact CZ-CD1 4.2Å; F755-L785 HydrophobicContact CZ-CD2 4.17Å; F755-T803 HydrophobicContact CE1-CG2 4.07Å; F755-T803 HydrophobicContact CZ-CG2 3.81Å; F755-I812 HydrophobicContact CE2-CD1 4.43Å; F755-I812 HydrophobicContact CE2-CG2 4.19Å; F755-I812 HydrophobicContact CZ-CG2 3.88Å |
| 756 | L | 86.8 | Confident | 78 | Confident | 56 Ų | 56 | 53.8 Ų | 53.8 | 29% | 0.293 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.2 | -29.6 | 177.7 | -69.9 | -178.1 | 0 | 0 | 0 | 113.1 | Y752 K754 G758 Q799 | Y752-L756 HydrophobicContact CD1-CD1 4.03Å; Y752-L756 HydrophobicContact CD1-CG 4.41Å; Y752-L756 HydrophobicContact CE1-CD1 3.51Å; Y752-L756 HydrophobicContact CE1-CD2 4.48Å; Y752-L756 HydrophobicContact CE1-CG 4.04Å; Y752-L756 HydrophobicContact CE2-CD2 4.15Å; Y752-L756 HydrophobicContact CE2-CG 4.2Å; Y752-L756 WeakPolarHBondContact O-CG 3.39Å; Y752-L756 PolarHBondContact O-N 3.21Å; K754-L756 VanDerWaalsContact C-N 3.35Å; K754-L756 PolarHBondContact O-N 3.28Å; L756-G758 PolarHBondContact O-N 2.95Å; L756-Q799 HydrophobicContact CD2-CB 4.2Å |
| 757 | R | 87.1 | Confident | 75.4 | Confident | 144 Ų | 144 | 51.1 Ų | 51.1 | 54% | 0.543 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -0.3 | 173.5 | -68.4 | -169.3 | -59.1 | -86.4 | 1.5 | 114 | E753 K754 F755 E759 | E753-R757 WeakPolarHBondContact O-CG 3.41Å; E753-R757 PolarHBondContact O-N 3.46Å; E753-R757 PolarHBondContact O-NH1 3.44Å; E753-R757 VanDerWaalsContact O-NH1 3.16Å; K754-R757 VanDerWaalsContact CG-NH2 3.33Å; K754-R757 PolarHBondContact O-N 3.16Å; K754-R757 VanDerWaalsContact O-N 3.16Å; F755-R757 PolarHBondContact O-N 3.23Å; R757-E759 VanDerWaalsContact C-N 3.26Å; R757-E759 HydrophobicContact CB-CG 4.29Å; R757-E759 IonicContact CZ-OE1 2.71Å; R757-E759 IonicContact NE-OE1 2.63Å; R757-E759 PolarHBondContact NE-OE1 2.88Å; R757-E759 IonicContact NH2-OE1 3.89Å; R757-E759 PolarHBondContact NH2-OE1 3.42Å; R757-E759 IonicContact NH2-OE2 3.77Å; R757-E759 PolarHBondContact O-N 2.94Å |
| 758 | G | 78.9 | Confident | 73 | Confident | 66 Ų | 66 | 47.2 Ų | 47.2 | 68% | 0.68 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.6 | 15.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | K754 F755 L756 | K754-G758 PolarHBondContact O-N 2.98Å; F755-G758 PolarHBondContact O-N 3.44Å; L756-G758 PolarHBondContact O-N 2.95Å |
| 759 | E | 79.3 | Confident | 70.5 | Confident | 83 Ų | 83 | 47.3 Ų | 47.3 | 39% | 0.388 | 26% | 0.261 | S | S | . | . | trans | -71.2 | 140.7 | 175.3 | -65.4 | 176.1 | -141.1 | 0 | 0 | 110.7 | K754 R757 I761 | K754-E759 HydrophobicContact CB-CB 4.09Å; K754-E759 WeakPolarHBondContact CD-OE2 3.39Å; K754-E759 VanDerWaalsContact CG-OE2 3.3Å; K754-E759 WeakPolarHBondContact CG-OE2 3Å; K754-E759 WeakPolarHBondContact O-CB 3.46Å; K754-E759 PolarHBondContact O-N 3.18Å; R757-E759 VanDerWaalsContact C-N 3.26Å; R757-E759 HydrophobicContact CB-CG 4.29Å; R757-E759 IonicContact CZ-OE1 2.71Å; R757-E759 IonicContact NE-OE1 2.63Å; R757-E759 PolarHBondContact NE-OE1 2.88Å; R757-E759 IonicContact NH2-OE1 3.89Å; R757-E759 PolarHBondContact NH2-OE1 3.42Å; R757-E759 IonicContact NH2-OE2 3.77Å; R757-E759 PolarHBondContact O-N 2.94Å; E759-I761 PolarHBondContact O-N 3.12Å; E759-I761 VanDerWaalsContact O-N 3.1Å | ||
| 760 | T | 66.8 | Low | 67.9 | Low | 117 Ų | 117 | 45.8 Ų | 45.8 | 72% | 0.718 | 25% | 0.252 | S | S | * | . | trans | -66.5 | 110.8 | 176.5 | -54.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 761 | I | 67.8 | Low | 65.2 | Low | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | trans | -74.1 | 131.3 | 163.1 | -61.6 | 174.1 | 0 | 0 | 0 | 108.3 | F755 E759 S763 R766 I784 | F755-I761 HydrophobicContact CB-CD1 3.79Å; F755-I761 HydrophobicContact CD2-CD1 4.38Å; E759-I761 PolarHBondContact O-N 3.12Å; E759-I761 VanDerWaalsContact O-N 3.1Å; I761-S763 PolarHBondContact O-N 2.84Å; I761-R766 VanDerWaalsContact O-CZ 3.27Å; I761-R766 PolarHBondContact O-NE 3.44Å; I761-R766 PolarHBondContact O-NH2 3.22Å; I761-I784 HydrophobicContact CD1-CD1 4.04Å | ||
| 762 | P | 62.3 | Low | 62.9 | Low | 62 Ų | 62 | 43.9 Ų | 43.9 | 40% | 0.403 | 24% | 0.236 | S | C | . | . | trans | -53.4 | 132.9 | 178.9 | -24.7 | 31.9 | 0 | 0 | 0 | 113 | D764 I765 R766 | P762-D764 VanDerWaalsContact C-N 3.25Å; P762-D764 PolarHBondContact O-N 3.49Å; P762-I765 HydrophobicContact CB-CD1 4.07Å; P762-I765 HydrophobicContact CB-CG1 4.02Å; P762-I765 HydrophobicContact CG-CD1 3.88Å; P762-I765 HydrophobicContact CG-CG1 4.4Å; P762-I765 PolarHBondContact O-N 3.01Å; P762-I765 VanDerWaalsContact O-N 3.14Å; P762-R766 PolarHBondContact O-N 3.28Å | ||
| 763 | S | 59.3 | Low | 60.3 | Low | 26 Ų | 26 | 43.8 Ų | 43.8 | 18% | 0.182 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -22.1 | -177.9 | 51.3 | 0 | 0 | 0 | 0 | 114.1 | I761 R766 | I761-S763 PolarHBondContact O-N 2.84Å; S763-R766 WeakPolarHBondContact O-CA 3.21Å; S763-R766 WeakPolarHBondContact O-CB 3.48Å; S763-R766 PolarHBondContact O-N 2.92Å |
| 764 | D | 54 | Low | 57.7 | Low | 65 Ų | 65 | 42.8 Ų | 42.8 | 35% | 0.348 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -28.5 | 175.2 | -61.9 | -35 | 0 | 0 | 0 | 111.9 | P701 T726 P762 R766 | P701-D764 HydrophobicContact CG-CB 3.86Å; T726-D764 HydrophobicContact CG2-CB 4.49Å; P762-D764 VanDerWaalsContact C-N 3.25Å; P762-D764 PolarHBondContact O-N 3.49Å; D764-R766 VanDerWaalsContact C-N 3.29Å |
| 765 | I | 50.6 | Low | 55.2 | Low | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -34.7 | 168.7 | -46.6 | 176 | 0 | 0 | 0 | 108.1 | P701 P762 A767 F780 | P701-I765 HydrophobicContact CG-CG1 4.28Å; P762-I765 HydrophobicContact CB-CD1 4.07Å; P762-I765 HydrophobicContact CB-CG1 4.02Å; P762-I765 HydrophobicContact CG-CD1 3.88Å; P762-I765 HydrophobicContact CG-CG1 4.4Å; P762-I765 PolarHBondContact O-N 3.01Å; P762-I765 VanDerWaalsContact O-N 3.14Å; I765-A767 PolarHBondContact O-N 3.04Å; I765-F780 VanDerWaalsContact C-CB 3.42Å; I765-F780 HydrophobicContact CB-CD1 4.07Å; I765-F780 HydrophobicContact CB-CE1 4.18Å; I765-F780 HydrophobicContact CG2-CD1 3.3Å; I765-F780 HydrophobicContact CG2-CD2 4.1Å; I765-F780 HydrophobicContact CG2-CE1 3.05Å; I765-F780 HydrophobicContact CG2-CE2 3.94Å; I765-F780 HydrophobicContact CG2-CG 3.81Å; I765-F780 HydrophobicContact CG2-CZ 3.4Å; I765-F780 WeakPolarHBondContact O-CB 3.29Å; I765-F780 WeakPolarHBondContact O-CD2 3.49Å; I765-F780 WeakPolarHBondContact O-CG 3.37Å |
| 766 | R | 47.6 | Very low | 53 | Low | 21 Ų | 21 | 38.7 Ų | 38.7 | 8% | 0.079 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 7.8 | 172.1 | -66.1 | -173.6 | -157.9 | -179.4 | 4.3 | 117.8 | T326 S328 I761 P762 S763 D764 T768 N779 F780 N781 | T326-R766 PolarHBondContact O-NH1 3.44Å; S328-R766 VanDerWaalsContact CB-O 3.23Å; S328-R766 WeakPolarHBondContact CB-O 3.41Å; I761-R766 VanDerWaalsContact O-CZ 3.27Å; I761-R766 PolarHBondContact O-NE 3.44Å; I761-R766 PolarHBondContact O-NH2 3.22Å; P762-R766 PolarHBondContact O-N 3.28Å; S763-R766 WeakPolarHBondContact O-CA 3.21Å; S763-R766 WeakPolarHBondContact O-CB 3.48Å; S763-R766 PolarHBondContact O-N 2.92Å; D764-R766 VanDerWaalsContact C-N 3.29Å; R766-T768 PolarHBondContact O-N 3.29Å; R766-N779 WeakPolarHBondContact CA-OD1 3.41Å; R766-N779 WeakPolarHBondContact CB-OD1 3.28Å; R766-N779 WeakPolarHBondContact CG-OD1 3.24Å; R766-N779 WeakPolarHBondContact O-CA 2.87Å; R766-N779 PolarHBondContact O-ND2 3.07Å; R766-N779 PolarHBondContact O-OD1 2.95Å; R766-F780 VanDerWaalsContact CA-CB 3.43Å; R766-F780 PolarHBondContact O-N 2.73Å; R766-N781 WeakPolarHBondContact CD-ND2 3.49Å; R766-N781 PolarHBondContact NE-ND2 2.82Å |
| 767 | A | 40.3 | Very low | 50.7 | Low | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -56.6 | 129 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V330 T726 P730 I765 F780 | V330-A767 HydrophobicContact CG2-CB 4.14Å; T726-A767 HydrophobicContact CG2-CB 4.02Å; T726-A767 WeakPolarHBondContact O-CB 3.39Å; P730-A767 WeakPolarHBondContact CB-O 3.34Å; P730-A767 HydrophobicContact CG-CB 3.35Å; P730-A767 WeakPolarHBondContact CG-O 3.37Å; I765-A767 PolarHBondContact O-N 3.04Å; A767-F780 PolarHBondContact O-N 2.73Å |
| 768 | T | 39.2 | Very low | 48.9 | Very low | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.018 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -90.3 | 119.7 | -177.1 | -63.3 | 0 | 0 | 0 | 0 | 110.2 | S328 V330 V331 R766 M777 F778 N779 | S328-T768 PolarHBondContact OG-OG1 3.48Å; V330-T768 WeakPolarHBondContact CB-O 3.36Å; V330-T768 HydrophobicContact CG1-CG2 4.41Å; V330-T768 WeakPolarHBondContact CG1-O 3.41Å; V330-T768 WeakPolarHBondContact CG2-O 3.21Å; V331-T768 HydrophobicContact CG2-CG2 4.47Å; R766-T768 PolarHBondContact O-N 3.29Å; T768-M777 HydrophobicContact CG2-CB 3.33Å; T768-M777 HydrophobicContact CG2-CG 3.99Å; T768-F778 VanDerWaalsContact CA-C 3.46Å; T768-F778 WeakPolarHBondContact CA-O 3.47Å; T768-N779 WeakPolarHBondContact OG1-CA 2.95Å; T768-N779 WeakPolarHBondContact OG1-CB 3.43Å; T768-N779 PolarHBondContact OG1-N 3.46Å |
| 769 | V | 37 | Very low | 47.7 | Very low | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.018 | 15% | 0.154 | C | C | . | . | B | Isolated β-bridge | trans | -95.8 | 122.4 | 178.8 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | L727 P730 I731 L771 F778 | L727-V769 WeakPolarHBondContact O-CG2 3.17Å; P730-V769 HydrophobicContact CB-CG2 3.97Å; P730-V769 HydrophobicContact CG-CG2 4.39Å; I731-V769 HydrophobicContact CD1-CB 4.48Å; I731-V769 HydrophobicContact CD1-CG1 3.57Å; I731-V769 HydrophobicContact CD1-CG2 4.12Å; I731-V769 HydrophobicContact CG1-CB 3.99Å; I731-V769 HydrophobicContact CG1-CG1 3.56Å; I731-V769 HydrophobicContact CG1-CG2 3.33Å; V769-L771 HydrophobicContact CG1-CD1 4.17Å; V769-L771 HydrophobicContact CG1-CG 3.97Å; V769-F778 PolarHBondContact N-O 3.39Å; V769-F778 WeakPolarHBondContact O-CD2 3.3Å |
| 770 | R | 36.5 | Very low | 46.8 | Very low | 31 Ų | 31 | 24.2 Ų | 24.2 | 12% | 0.117 | 14% | 0.136 | C | C | . | . | trans | -91.2 | 98.3 | 165.3 | -176.4 | 170.1 | -173.5 | -177.2 | 0.4 | 109.3 | L391 G772 | L391-R770 HydrophobicContact CD2-CB 4.27Å; L391-R770 HydrophobicContact CD2-CG 4.06Å; L391-R770 WeakPolarHBondContact CD2-O 3.4Å; R770-G772 WeakPolarHBondContact CG-O 3.16Å; R770-G772 PolarHBondContact NE-O 3.01Å; R770-G772 PolarHBondContact O-N 2.88Å | ||
| 771 | L | 33.8 | Very low | 46.8 | Very low | 32 Ų | 32 | 18.7 Ų | 18.7 | 17% | 0.168 | 10% | 0.103 | C | C | . | . | trans | -83.6 | 88.6 | 172.5 | -93 | 148.8 | 0 | 0 | 0 | 109.4 | A660 V769 H774 | A660-L771 HydrophobicContact CB-CD2 4.39Å; A660-L771 VanDerWaalsContact O-CD2 3.29Å; A660-L771 WeakPolarHBondContact O-CD2 3.42Å; V769-L771 HydrophobicContact CG1-CD1 4.17Å; V769-L771 HydrophobicContact CG1-CG 3.97Å; L771-H774 PolarHBondContact O-ND1 3.23Å | ||
| 772 | G | 38.7 | Very low | 46.9 | Very low | 8 Ų | 8 | 18.7 Ų | 18.7 | 8% | 0.082 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | -163.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S395 R770 H774 | S395-G772 WeakPolarHBondContact OG-CA 3.42Å; R770-G772 WeakPolarHBondContact CG-O 3.16Å; R770-G772 PolarHBondContact NE-O 3.01Å; R770-G772 PolarHBondContact O-N 2.88Å; G772-H774 PolarHBondContact O-N 3.31Å |
| 773 | C | 34.4 | Very low | 47.4 | Very low | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.007 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -12.8 | -177.6 | -78.6 | 0 | 0 | 0 | 0 | 114.3 | L391 S395 L424 A775 S894 V895 | L391-C773 PolarHBondContact O-SG 3.24Å; S395-C773 PolarHBondContact OG-N 2.93Å; L424-C773 HydrophobicContact CD2-CB 3.18Å; L424-C773 WeakPolarHBondContact CD2-SG 3.46Å; L424-C773 HydrophobicContact CG-CB 4.37Å; C773-A775 PolarHBondContact O-N 3.24Å; C773-S894 VanDerWaalsContact CB-O 3.31Å; C773-S894 WeakPolarHBondContact CB-O 3.36Å; C773-S894 WeakPolarHBondContact O-CB 3.38Å; C773-S894 PolarHBondContact O-OG 3.36Å; C773-V895 HydrophobicContact CB-CG2 4.5Å |
| 774 | H | 36.7 | Very low | 48.5 | Very low | 59 Ų | 59 | 14.8 Ų | 14.8 | 27% | 0.273 | 8% | 0.076 | S | C | . | . | trans | -47.5 | 106.4 | 172.9 | -60.2 | 107.1 | 0 | 0 | 0 | 110.6 | L771 G772 L776 S894 R911 | L771-H774 PolarHBondContact O-ND1 3.23Å; G772-H774 PolarHBondContact O-N 3.31Å; H774-L776 PolarHBondContact O-N 3.48Å; H774-S894 WeakPolarHBondContact CA-OG 3.47Å; H774-S894 PolarHBondContact N-OG 2.92Å; H774-R911 PolarHBondContact CD2-NH1 3.14Å; H774-R911 PolarHBondContact CD2-NH2 3.1Å; H774-R911 VanDerWaalsContact CD2-NH2 3.33Å; H774-R911 VanDerWaalsContact NE2-CZ 3.33Å; H774-R911 PolarHBondContact NE2-NH1 2.85Å; H774-R911 PolarHBondContact NE2-NH2 3.13Å | ||
| 775 | A | 35 | Very low | 50.1 | Low | 18 Ų | 18 | 11.7 Ų | 11.7 | 15% | 0.149 | 6% | 0.06 | C | C | . | . | trans | -70.1 | 25.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114 | C773 M777 S894 | C773-A775 PolarHBondContact O-N 3.24Å; A775-M777 VanDerWaalsContact C-N 3.34Å; A775-M777 PolarHBondContact O-N 3.31Å; A775-M777 VanDerWaalsContact O-N 3.15Å; A775-S894 PolarHBondContact N-OG 3.18Å | ||
| 776 | L | 40.1 | Very low | 51.7 | Low | 11 Ų | 11 | 11.8 Ų | 11.8 | 6% | 0.058 | 6% | 0.061 | C | C | . | . | trans | -85.9 | 89.6 | 171.3 | -63.7 | 170.8 | 0 | 0 | 0 | 107.2 | H774 F778 L818 A851 L904 | H774-L776 PolarHBondContact O-N 3.48Å; L776-F778 HydrophobicContact CB-CD1 4.05Å; L776-F778 HydrophobicContact CB-CD2 3.89Å; L776-F778 HydrophobicContact CB-CE1 3.58Å; L776-F778 HydrophobicContact CB-CE2 3.35Å; L776-F778 HydrophobicContact CB-CG 4.24Å; L776-F778 HydrophobicContact CB-CZ 3.22Å; L776-F778 HydrophobicContact CD1-CE1 3.98Å; L776-F778 HydrophobicContact CD1-CE2 4.11Å; L776-F778 HydrophobicContact CD1-CZ 3.38Å; L776-F778 HydrophobicContact CG-CE1 4.23Å; L776-F778 HydrophobicContact CG-CE2 4.37Å; L776-F778 HydrophobicContact CG-CZ 3.87Å; L776-F778 WeakPolarHBondContact O-CD2 3.29Å; L776-F778 PolarHBondContact O-N 3.41Å; L776-L818 HydrophobicContact CD2-CD2 4.06Å; L776-A851 HydrophobicContact CD1-CB 3.66Å; L776-A851 HydrophobicContact CD2-CB 3.45Å; L776-A851 VanDerWaalsContact CD2-CB 3.45Å; L776-A851 HydrophobicContact CG-CB 4.21Å; L776-L904 HydrophobicContact CD1-CD2 4.49Å; L776-L904 HydrophobicContact CD2-CD2 4.3Å; L776-L904 HydrophobicContact CG-CD2 4.21Å | ||
| 777 | M | 40.3 | Very low | 53.7 | Low | 27 Ų | 27 | 11.2 Ų | 11.2 | 13% | 0.133 | 6% | 0.059 | C | C | . | . | trans | -59.9 | 102.2 | 160.6 | -70.9 | 165.3 | 76.2 | 0 | 0 | 107 | V331 T768 A775 | V331-M777 HydrophobicContact CB-CE 4.21Å; V331-M777 HydrophobicContact CG1-CE 3.86Å; V331-M777 HydrophobicContact CG2-CE 3.5Å; V331-M777 VanDerWaalsContact CG2-CE 3.5Å; T768-M777 HydrophobicContact CG2-CB 3.33Å; T768-M777 HydrophobicContact CG2-CG 3.99Å; A775-M777 VanDerWaalsContact C-N 3.34Å; A775-M777 PolarHBondContact O-N 3.31Å; A775-M777 VanDerWaalsContact O-N 3.15Å | ||
| 778 | F | 47.7 | Very low | 56.1 | Low | 13 Ų | 13 | 11.2 Ų | 11.2 | 6% | 0.057 | 6% | 0.059 | C | C | . | . | B | Isolated β-bridge | trans | -101.4 | 77.4 | -179.6 | -68.1 | -58.9 | 0 | 0 | 0 | 113.9 | T768 V769 L776 M782 L818 | T768-F778 VanDerWaalsContact CA-C 3.46Å; T768-F778 WeakPolarHBondContact CA-O 3.47Å; V769-F778 PolarHBondContact N-O 3.39Å; V769-F778 WeakPolarHBondContact O-CD2 3.3Å; L776-F778 HydrophobicContact CB-CD1 4.05Å; L776-F778 HydrophobicContact CB-CD2 3.89Å; L776-F778 HydrophobicContact CB-CE1 3.58Å; L776-F778 HydrophobicContact CB-CE2 3.35Å; L776-F778 HydrophobicContact CB-CG 4.24Å; L776-F778 HydrophobicContact CB-CZ 3.22Å; L776-F778 HydrophobicContact CD1-CE1 3.98Å; L776-F778 HydrophobicContact CD1-CE2 4.11Å; L776-F778 HydrophobicContact CD1-CZ 3.38Å; L776-F778 HydrophobicContact CG-CE1 4.23Å; L776-F778 HydrophobicContact CG-CE2 4.37Å; L776-F778 HydrophobicContact CG-CZ 3.87Å; L776-F778 WeakPolarHBondContact O-CD2 3.29Å; L776-F778 PolarHBondContact O-N 3.41Å; F778-M782 HydrophobicContact CB-CE 3.43Å; F778-M782 VanDerWaalsContact CB-CE 3.43Å; F778-M782 HydrophobicContact CD1-CE 3.24Å; F778-M782 HydrophobicContact CD1-SD 4.03Å; F778-M782 HydrophobicContact CE1-CE 4.19Å; F778-M782 HydrophobicContact CG-CE 3.69Å; F778-L818 HydrophobicContact CD1-CD1 4.42Å; F778-L818 HydrophobicContact CE1-CD2 4.26Å |
| 779 | N | 54.3 | Low | 58.6 | Low | 2 Ų | 2 | 11.1 Ų | 11.1 | 1% | 0.011 | 6% | 0.058 | C | C | . | . | trans | -54.6 | 148.2 | 173.8 | -174.6 | -39.4 | 0 | 0 | 0 | 110.8 | R766 T768 N781 M782 Q783 E811 | R766-N779 WeakPolarHBondContact CA-OD1 3.41Å; R766-N779 WeakPolarHBondContact CB-OD1 3.28Å; R766-N779 WeakPolarHBondContact CG-OD1 3.24Å; R766-N779 WeakPolarHBondContact O-CA 2.87Å; R766-N779 PolarHBondContact O-ND2 3.07Å; R766-N779 PolarHBondContact O-OD1 2.95Å; T768-N779 WeakPolarHBondContact OG1-CA 2.95Å; T768-N779 WeakPolarHBondContact OG1-CB 3.43Å; T768-N779 PolarHBondContact OG1-N 3.46Å; N779-N781 VanDerWaalsContact C-N 3.27Å; N779-N781 PolarHBondContact O-N 3.32Å; N779-N781 PolarHBondContact OD1-N 3.11Å; N779-M782 WeakPolarHBondContact O-CA 3.39Å; N779-M782 WeakPolarHBondContact O-CB 3.39Å; N779-M782 PolarHBondContact O-N 3.47Å; N779-Q783 PolarHBondContact O-N 2.8Å; N779-E811 PolarHBondContact ND2-OE1 2.91Å | ||
| 780 | F | 60.1 | Low | 61 | Low | 3 Ų | 3 | 11.8 Ų | 11.8 | 1% | 0.013 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -63.1 | -27.9 | 175.9 | -173.4 | -100.5 | 0 | 0 | 0 | 115.3 | F699 P730 L733 L751 I765 R766 A767 M782 Q783 I784 | F699-F780 AromaticContact CD1-CZ 3.98Å; F699-F780 HydrophobicContact CD1-CZ 3.98Å; F699-F780 AromaticContact CE1-CE1 3.96Å; F699-F780 HydrophobicContact CE1-CE1 3.96Å; F699-F780 HydrophobicContact CE1-CE2 4.44Å; F699-F780 AromaticContact CE1-CZ 3.36Å; F699-F780 HydrophobicContact CE1-CZ 3.36Å; F699-F780 AromaticContact CZ-CZ 3.87Å; F699-F780 HydrophobicContact CZ-CZ 3.87Å; P730-F780 HydrophobicContact CB-CD2 4.25Å; L733-F780 HydrophobicContact CB-CE2 4.05Å; L733-F780 HydrophobicContact CD1-CD2 4.42Å; L733-F780 HydrophobicContact CD1-CE2 3.36Å; L733-F780 HydrophobicContact CD1-CZ 3.78Å; L733-F780 HydrophobicContact CG-CE2 4.34Å; L751-F780 HydrophobicContact CD1-CE1 4.27Å; I765-F780 VanDerWaalsContact C-CB 3.42Å; I765-F780 HydrophobicContact CB-CD1 4.07Å; I765-F780 HydrophobicContact CB-CE1 4.18Å; I765-F780 HydrophobicContact CG2-CD1 3.3Å; I765-F780 HydrophobicContact CG2-CD2 4.1Å; I765-F780 HydrophobicContact CG2-CE1 3.05Å; I765-F780 HydrophobicContact CG2-CE2 3.94Å; I765-F780 HydrophobicContact CG2-CG 3.81Å; I765-F780 HydrophobicContact CG2-CZ 3.4Å; I765-F780 WeakPolarHBondContact O-CB 3.29Å; I765-F780 WeakPolarHBondContact O-CD2 3.49Å; I765-F780 WeakPolarHBondContact O-CG 3.37Å; R766-F780 VanDerWaalsContact CA-CB 3.43Å; R766-F780 PolarHBondContact O-N 2.73Å; A767-F780 PolarHBondContact O-N 2.73Å; F780-M782 VanDerWaalsContact C-N 3.26Å; F780-M782 PolarHBondContact O-N 2.86Å; F780-Q783 HydrophobicContact CD2-CB 4.36Å; F780-Q783 WeakPolarHBondContact O-CA 3.4Å; F780-Q783 WeakPolarHBondContact O-CB 3.34Å; F780-Q783 PolarHBondContact O-N 3.07Å; F780-I784 HydrophobicContact CD1-CD1 3.6Å; F780-I784 HydrophobicContact CD1-CG1 4.03Å; F780-I784 HydrophobicContact CE1-CD1 3.35Å; F780-I784 HydrophobicContact CE1-CG1 3.71Å; F780-I784 HydrophobicContact CZ-CD1 4.32Å; F780-I784 HydrophobicContact CZ-CG1 4.25Å; F780-I784 PolarHBondContact O-N 3.12Å |
| 781 | N | 66.2 | Low | 63.5 | Low | 2 Ų | 2 | 13.9 Ų | 13.9 | 1% | 0.011 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -52.1 | -53.5 | 167.5 | -80.9 | -6.7 | 0 | 0 | 0 | 108.7 | R766 N779 Q783 I784 L785 D815 | R766-N781 WeakPolarHBondContact CD-ND2 3.49Å; R766-N781 PolarHBondContact NE-ND2 2.82Å; N779-N781 VanDerWaalsContact C-N 3.27Å; N779-N781 PolarHBondContact O-N 3.32Å; N779-N781 PolarHBondContact OD1-N 3.11Å; N781-Q783 PolarHBondContact O-N 3.16Å; N781-I784 PolarHBondContact O-N 3.35Å; N781-I784 VanDerWaalsContact O-N 3.08Å; N781-L785 VanDerWaalsContact O-CG 3.25Å; N781-L785 WeakPolarHBondContact O-CG 3.5Å; N781-L785 PolarHBondContact O-N 3.13Å; N781-D815 WeakPolarHBondContact CB-OD2 3.36Å |
| 782 | M | 70 | Confident | 66.1 | Low | 3 Ų | 3 | 16.7 Ų | 16.7 | 2% | 0.015 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -53.4 | -38.1 | 173.6 | -175.8 | -78.3 | -43.5 | 0 | 0 | 112.9 | F778 N779 F780 L785 A786 D815 L818 | F778-M782 HydrophobicContact CB-CE 3.43Å; F778-M782 VanDerWaalsContact CB-CE 3.43Å; F778-M782 HydrophobicContact CD1-CE 3.24Å; F778-M782 HydrophobicContact CD1-SD 4.03Å; F778-M782 HydrophobicContact CE1-CE 4.19Å; F778-M782 HydrophobicContact CG-CE 3.69Å; N779-M782 WeakPolarHBondContact O-CA 3.39Å; N779-M782 WeakPolarHBondContact O-CB 3.39Å; N779-M782 PolarHBondContact O-N 3.47Å; F780-M782 VanDerWaalsContact C-N 3.26Å; F780-M782 PolarHBondContact O-N 2.86Å; M782-L785 PolarHBondContact O-N 3.03Å; M782-A786 WeakPolarHBondContact O-CB 3.27Å; M782-A786 PolarHBondContact O-N 2.97Å; M782-A786 HydrophobicContact SD-CB 3.98Å; M782-D815 HydrophobicContact CB-CB 3.94Å; M782-D815 WeakPolarHBondContact CB-OD1 3.37Å; M782-L818 HydrophobicContact CG-CB 3.57Å; M782-L818 HydrophobicContact CG-CD1 3.77Å; M782-L818 HydrophobicContact CG-CG 4.29Å; M782-L818 HydrophobicContact SD-CB 4.1Å |
| 783 | Q | 74 | Confident | 68.2 | Low | 3 Ų | 3 | 17 Ų | 17 | 1% | 0.014 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.5 | -43.9 | 177.9 | -59.6 | -178.4 | 8.2 | 0 | 0 | 112.3 | P730 R734 N779 F780 N781 A786 L787 | P730-Q783 VanDerWaalsContact O-CD 3.3Å; P730-Q783 PolarHBondContact O-NE2 2.88Å; P730-Q783 VanDerWaalsContact O-NE2 3.14Å; P730-Q783 PolarHBondContact O-OE1 2.58Å; R734-Q783 HydrophobicContact CB-CG 4.26Å; N779-Q783 PolarHBondContact O-N 2.8Å; F780-Q783 HydrophobicContact CD2-CB 4.36Å; F780-Q783 WeakPolarHBondContact O-CA 3.4Å; F780-Q783 WeakPolarHBondContact O-CB 3.34Å; F780-Q783 PolarHBondContact O-N 3.07Å; N781-Q783 PolarHBondContact O-N 3.16Å; Q783-A786 PolarHBondContact O-N 3.31Å; Q783-L787 WeakPolarHBondContact O-CB 3.41Å; Q783-L787 WeakPolarHBondContact O-CG 3.34Å; Q783-L787 PolarHBondContact O-N 3.09Å |
| 784 | I | 82.9 | Confident | 70.8 | Confident | 3 Ų | 3 | 21.1 Ų | 21.1 | 2% | 0.015 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.7 | -51.2 | 173.1 | -67.4 | 163.5 | 0 | 0 | 0 | 109.6 | A748 L751 Y752 I761 F780 N781 A786 L787 M788 | A748-I784 HydrophobicContact CB-CG1 4.49Å; A748-I784 WeakPolarHBondContact O-CG2 3.41Å; L751-I784 HydrophobicContact CB-CD1 3.7Å; L751-I784 HydrophobicContact CD1-CD1 4.16Å; Y752-I784 HydrophobicContact CD2-CG2 4.29Å; Y752-I784 HydrophobicContact CG-CG2 4.44Å; I761-I784 HydrophobicContact CD1-CD1 4.04Å; F780-I784 HydrophobicContact CD1-CD1 3.6Å; F780-I784 HydrophobicContact CD1-CG1 4.03Å; F780-I784 HydrophobicContact CE1-CD1 3.35Å; F780-I784 HydrophobicContact CE1-CG1 3.71Å; F780-I784 HydrophobicContact CZ-CD1 4.32Å; F780-I784 HydrophobicContact CZ-CG1 4.25Å; F780-I784 PolarHBondContact O-N 3.12Å; N781-I784 PolarHBondContact O-N 3.35Å; N781-I784 VanDerWaalsContact O-N 3.08Å; I784-A786 VanDerWaalsContact C-N 3.3Å; I784-A786 PolarHBondContact O-N 3.48Å; I784-L787 PolarHBondContact O-N 3.01Å; I784-M788 HydrophobicContact CG2-CG 4.33Å; I784-M788 VanDerWaalsContact O-CG 3.31Å; I784-M788 WeakPolarHBondContact O-CG 3.26Å; I784-M788 PolarHBondContact O-N 3.25Å |
| 785 | L | 87.1 | Confident | 73.4 | Confident | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.6 | -41.9 | -177.7 | -56.1 | -165.2 | 0 | 0 | 0 | 111.3 | Y752 F755 N781 M782 M788 S789 L800 D815 A819 | Y752-L785 HydrophobicContact CD2-CD2 3.73Å; Y752-L785 HydrophobicContact CE2-CD2 3.78Å; F755-L785 HydrophobicContact CD1-CD2 3.8Å; F755-L785 HydrophobicContact CE1-CD1 4.35Å; F755-L785 HydrophobicContact CE1-CD2 3.7Å; F755-L785 HydrophobicContact CG-CD2 4.35Å; F755-L785 HydrophobicContact CZ-CD1 4.2Å; F755-L785 HydrophobicContact CZ-CD2 4.17Å; N781-L785 VanDerWaalsContact O-CG 3.25Å; N781-L785 WeakPolarHBondContact O-CG 3.5Å; N781-L785 PolarHBondContact O-N 3.13Å; M782-L785 PolarHBondContact O-N 3.03Å; L785-M788 PolarHBondContact O-N 3.11Å; L785-S789 VanDerWaalsContact O-CB 3.26Å; L785-S789 WeakPolarHBondContact O-CB 3.46Å; L785-S789 PolarHBondContact O-N 3.33Å; L785-L800 HydrophobicContact CB-CD1 4.34Å; L785-L800 HydrophobicContact CB-CD2 4.24Å; L785-L800 HydrophobicContact CD1-CD2 3.77Å; L785-L800 HydrophobicContact CD2-CD2 3.93Å; L785-L800 HydrophobicContact CG-CD2 4.14Å; L785-D815 HydrophobicContact CD1-CB 3.88Å; L785-A819 HydrophobicContact CB-CB 3.62Å |
| 786 | A | 83.7 | Confident | 76.1 | Confident | 4 Ų | 4 | 20.9 Ų | 20.9 | 3% | 0.033 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -67.1 | -41.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | M782 Q783 I784 S789 R790 Q822 | M782-A786 WeakPolarHBondContact O-CB 3.27Å; M782-A786 PolarHBondContact O-N 2.97Å; M782-A786 HydrophobicContact SD-CB 3.98Å; Q783-A786 PolarHBondContact O-N 3.31Å; I784-A786 VanDerWaalsContact C-N 3.3Å; I784-A786 PolarHBondContact O-N 3.48Å; A786-S789 PolarHBondContact O-N 3.4Å; A786-R790 WeakPolarHBondContact O-CB 3.49Å; A786-R790 PolarHBondContact O-N 2.73Å; A786-Q822 HydrophobicContact CB-CB 4.2Å; A786-Q822 HydrophobicContact CB-CG 4.4Å |
| 787 | L | 89.2 | Confident | 78.6 | Confident | 8 Ų | 8 | 20.6 Ų | 20.6 | 4% | 0.042 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.5 | -42.3 | 175 | -73.1 | 175.7 | 0 | 0 | 0 | 111.3 | A748 Q783 I784 R790 H791 | A748-L787 HydrophobicContact CB-CD1 4.14Å; Q783-L787 WeakPolarHBondContact O-CB 3.41Å; Q783-L787 WeakPolarHBondContact O-CG 3.34Å; Q783-L787 PolarHBondContact O-N 3.09Å; I784-L787 PolarHBondContact O-N 3.01Å; L787-R790 PolarHBondContact O-N 3.08Å; L787-H791 WeakPolarHBondContact O-CB 3.21Å; L787-H791 PolarHBondContact O-CD2 2.86Å; L787-H791 PolarHBondContact O-N 3.12Å |
| 788 | M | 92.2 | Very high | 81.1 | Confident | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.4 | -44.8 | 176.3 | -66.7 | -55.5 | 103.2 | 0 | 0 | 111.5 | A748 E749 Y752 I784 L785 R790 H791 K792 V796 | A748-M788 HydrophobicContact CB-CE 3.81Å; E749-M788 VanDerWaalsContact CA-SD 3.6Å; E749-M788 HydrophobicContact CB-CE 4.06Å; E749-M788 HydrophobicContact CB-SD 3.83Å; E749-M788 HydrophobicContact CG-SD 4.21Å; Y752-M788 HydrophobicContact CD1-CB 4.34Å; Y752-M788 HydrophobicContact CD1-CG 3.82Å; Y752-M788 HydrophobicContact CD1-SD 4.35Å; Y752-M788 HydrophobicContact CD2-CB 4.38Å; Y752-M788 HydrophobicContact CD2-CG 3.95Å; Y752-M788 HydrophobicContact CE1-CB 4.49Å; Y752-M788 HydrophobicContact CE1-CG 4.44Å; Y752-M788 HydrophobicContact CG-CB 4.27Å; Y752-M788 HydrophobicContact CG-CG 3.53Å; Y752-M788 HydrophobicContact CG-SD 4.4Å; I784-M788 HydrophobicContact CG2-CG 4.33Å; I784-M788 VanDerWaalsContact O-CG 3.31Å; I784-M788 WeakPolarHBondContact O-CG 3.26Å; I784-M788 PolarHBondContact O-N 3.25Å; L785-M788 PolarHBondContact O-N 3.11Å; M788-R790 VanDerWaalsContact C-N 3.27Å; M788-R790 PolarHBondContact O-N 3.22Å; M788-H791 PolarHBondContact O-N 3.3Å; M788-K792 WeakPolarHBondContact O-CB 3.3Å; M788-K792 PolarHBondContact O-N 2.77Å; M788-K792 HydrophobicContact SD-CG 4.32Å; M788-V796 HydrophobicContact CB-CG1 3.89Å; M788-V796 HydrophobicContact CB-CG2 4.14Å |
| 789 | S | 90.6 | Very high | 83.4 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.3 | -40.3 | 174.5 | 179.5 | 0 | 0 | 0 | 0 | 111.9 | L785 A786 A819 S823 | L785-S789 VanDerWaalsContact O-CB 3.26Å; L785-S789 WeakPolarHBondContact O-CB 3.46Å; L785-S789 PolarHBondContact O-N 3.33Å; A786-S789 PolarHBondContact O-N 3.4Å; S789-A819 VanDerWaalsContact CB-O 3.28Å; S789-A819 WeakPolarHBondContact CB-O 3.46Å; S789-A819 PolarHBondContact OG-O 3.49Å; S789-S823 WeakPolarHBondContact O-CA 2.91Å; S789-S823 WeakPolarHBondContact O-CB 3.23Å; S789-S823 PolarHBondContact O-OG 3.27Å; S789-S823 PolarHBondContact OG-N 3.5Å |
| 790 | R | 88.4 | Confident | 85.2 | Confident | 17 Ų | 17 | 25.9 Ų | 25.9 | 6% | 0.064 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.9 | -43.6 | 178.3 | -177.3 | 176.1 | -73.5 | -98.1 | -0.3 | 113.4 | A786 L787 M788 Q822 S824 R855 T856 | A786-R790 WeakPolarHBondContact O-CB 3.49Å; A786-R790 PolarHBondContact O-N 2.73Å; L787-R790 PolarHBondContact O-N 3.08Å; M788-R790 VanDerWaalsContact C-N 3.27Å; M788-R790 PolarHBondContact O-N 3.22Å; R790-Q822 WeakPolarHBondContact CA-O 3.19Å; R790-Q822 WeakPolarHBondContact CB-O 3.46Å; R790-S824 WeakPolarHBondContact CG-OG 3.49Å; R790-S824 WeakPolarHBondContact O-CB 3.49Å; R790-S824 PolarHBondContact O-OG 3.35Å; R790-R855 PolarHBondContact NH2-O 3.35Å; R790-T856 VanDerWaalsContact NH2-CG2 3.33Å |
| 791 | H | 88.6 | Confident | 86.8 | Confident | 75 Ų | 75 | 27.3 Ų | 27.3 | 35% | 0.347 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -101.3 | -23 | -168.8 | -70 | -65.1 | 0 | 0 | 0 | 114.9 | G737 I745 L787 M788 | G737-H791 PolarHBondContact O-NE2 3.48Å; I745-H791 WeakPolarHBondContact CD1-NE2 3.36Å; L787-H791 WeakPolarHBondContact O-CB 3.21Å; L787-H791 PolarHBondContact O-CD2 2.86Å; L787-H791 PolarHBondContact O-N 3.12Å; M788-H791 PolarHBondContact O-N 3.3Å |
| 792 | K | 88.6 | Confident | 88.1 | Confident | 92 Ų | 92 | 33.1 Ų | 33.1 | 40% | 0.4 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -113.7 | -10.2 | -174.7 | -56.1 | -72.6 | 176.2 | 158.6 | 0 | 113.8 | E749 M788 E794 V796 | E749-K792 WeakPolarHBondContact OE1-CE 3.4Å; E749-K792 IonicContact OE1-NZ 2.71Å; E749-K792 PolarHBondContact OE1-NZ 2.85Å; E749-K792 WeakPolarHBondContact OE2-CE 3.24Å; E749-K792 IonicContact OE2-NZ 3.38Å; E749-K792 PolarHBondContact OE2-NZ 2.92Å; M788-K792 WeakPolarHBondContact O-CB 3.3Å; M788-K792 PolarHBondContact O-N 2.77Å; M788-K792 HydrophobicContact SD-CG 4.32Å; K792-E794 PolarHBondContact O-N 3.49Å; K792-V796 HydrophobicContact CB-CB 4.48Å; K792-V796 HydrophobicContact CB-CG2 3.55Å; K792-V796 HydrophobicContact CG-CG2 4.31Å |
| 793 | G | 83.3 | Confident | 89.1 | Confident | 13 Ų | 13 | 34 Ų | 34 | 13% | 0.134 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.6 | -125.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | F797 | G793-F797 PolarHBondContact O-N 2.84Š|
| 794 | E | 88.8 | Confident | 89.9 | Confident | 89 Ų | 89 | 34.7 Ų | 34.7 | 42% | 0.416 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -71 | -41 | -161.6 | -171.5 | 169.6 | -167.3 | 0 | 0 | 114.7 | K792 V796 F797 D798 V828 K831 | K792-E794 PolarHBondContact O-N 3.49Å; E794-V796 VanDerWaalsContact C-N 3.28Å; E794-V796 PolarHBondContact O-N 3.39Å; E794-F797 WeakPolarHBondContact O-CB 3.31Å; E794-F797 PolarHBondContact O-N 3.24Å; E794-F797 VanDerWaalsContact O-N 3.07Å; E794-D798 PolarHBondContact O-N 2.89Å; E794-V828 HydrophobicContact CB-CG2 4.07Å; E794-K831 WeakPolarHBondContact OE1-CE 3.35Å; E794-K831 IonicContact OE1-NZ 3.68Å; E794-K831 PolarHBondContact OE1-NZ 3.09Å |
| 795 | A | 89.6 | Confident | 90.2 | Very high | 65 Ų | 65 | 39.8 Ų | 39.8 | 54% | 0.537 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.1 | -40.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F797 D798 Q799 | A795-F797 VanDerWaalsContact C-N 3.34Å; A795-D798 PolarHBondContact O-N 2.64Å; A795-Q799 WeakPolarHBondContact O-CG 3.4Å; A795-Q799 PolarHBondContact O-N 2.77Å; A795-Q799 VanDerWaalsContact O-N 3.17Å |
| 796 | V | 92.1 | Very high | 90.3 | Very high | 6 Ų | 6 | 43.7 Ų | 43.7 | 4% | 0.036 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67 | -36.7 | 176.4 | 168.7 | 0 | 0 | 0 | 0 | 111.3 | Y752 M788 K792 E794 D798 Q799 L800 | Y752-V796 HydrophobicContact CE1-CG2 3.96Å; M788-V796 HydrophobicContact CB-CG1 3.89Å; M788-V796 HydrophobicContact CB-CG2 4.14Å; K792-V796 HydrophobicContact CB-CB 4.48Å; K792-V796 HydrophobicContact CB-CG2 3.55Å; K792-V796 HydrophobicContact CG-CG2 4.31Å; E794-V796 VanDerWaalsContact C-N 3.28Å; E794-V796 PolarHBondContact O-N 3.39Å; V796-D798 PolarHBondContact O-N 2.96Å; V796-Q799 PolarHBondContact O-N 2.89Å; V796-L800 HydrophobicContact CG1-CD1 3.82Å; V796-L800 HydrophobicContact CG1-CG 4.04Å; V796-L800 WeakPolarHBondContact O-CB 3.5Å; V796-L800 VanDerWaalsContact O-CG 3.23Å; V796-L800 WeakPolarHBondContact O-CG 3.37Å; V796-L800 PolarHBondContact O-N 2.87Å |
| 797 | F | 93.4 | Very high | 90.3 | Very high | 6 Ų | 6 | 44.8 Ų | 44.8 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.5 | -47.6 | 176.3 | 178.1 | -92.8 | 0 | 0 | 0 | 111.5 | G793 E794 A795 Q799 L800 L801 F820 V828 K831 T832 | G793-F797 PolarHBondContact O-N 2.84Å; E794-F797 WeakPolarHBondContact O-CB 3.31Å; E794-F797 PolarHBondContact O-N 3.24Å; E794-F797 VanDerWaalsContact O-N 3.07Å; A795-F797 VanDerWaalsContact C-N 3.34Å; F797-Q799 PolarHBondContact O-N 2.83Å; F797-L800 PolarHBondContact O-N 3Å; F797-L801 HydrophobicContact CE1-CD2 4.17Å; F797-L801 WeakPolarHBondContact O-CB 3.35Å; F797-L801 PolarHBondContact O-N 2.93Å; F797-F820 AromaticContact CD2-CD1 3.81Å; F797-F820 HydrophobicContact CD2-CD1 3.81Å; F797-F820 HydrophobicContact CD2-CE1 4.4Å; F797-F820 HydrophobicContact CD2-CG 4.49Å; F797-F820 HydrophobicContact CE2-CB 4.23Å; F797-F820 AromaticContact CE2-CD1 3.71Å; F797-F820 HydrophobicContact CE2-CD1 3.71Å; F797-F820 HydrophobicContact CE2-CE1 4.27Å; F797-F820 HydrophobicContact CE2-CG 4.05Å; F797-V828 HydrophobicContact CB-CG1 3.82Å; F797-V828 HydrophobicContact CB-CG2 4.3Å; F797-V828 HydrophobicContact CD2-CG1 3.57Å; F797-V828 HydrophobicContact CE2-CG1 4.4Å; F797-V828 HydrophobicContact CG-CG1 3.85Å; F797-K831 HydrophobicContact CD1-CB 4.34Å; F797-K831 HydrophobicContact CD1-CD 3.93Å; F797-K831 HydrophobicContact CE1-CB 3.74Å; F797-K831 HydrophobicContact CE1-CD 3.94Å; F797-K831 HydrophobicContact CE1-CG 4.45Å; F797-K831 HydrophobicContact CZ-CB 3.83Å; F797-T832 VanDerWaalsContact CE2-OG1 3.24Å; F797-T832 WeakPolarHBondContact CE2-OG1 3.07Å |
| 798 | D | 93.2 | Very high | 89.6 | Confident | 79 Ų | 79 | 52.7 Ų | 52.7 | 42% | 0.422 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.2 | -38.2 | -178.9 | -64 | -26.8 | 0 | 0 | 0 | 111.4 | E794 A795 V796 L801 H802 K831 | E794-D798 PolarHBondContact O-N 2.89Å; A795-D798 PolarHBondContact O-N 2.64Å; V796-D798 PolarHBondContact O-N 2.96Å; D798-L801 PolarHBondContact O-N 2.62Å; D798-H802 PolarHBondContact O-N 3.27Å; D798-K831 IonicContact OD1-NZ 2.67Å; D798-K831 PolarHBondContact OD1-NZ 3.19Å; D798-K831 IonicContact OD2-NZ 3.63Å |
| 799 | Q | 94.4 | Very high | 88.8 | Confident | 74 Ų | 74 | 54.5 Ų | 54.5 | 35% | 0.346 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 173.7 | -72.5 | 171.4 | -24.5 | 0 | 0 | 113 | Y752 L756 A795 V796 F797 H802 T803 | Y752-Q799 WeakPolarHBondContact OH-CB 3.39Å; Y752-Q799 PolarHBondContact OH-OE1 2.62Å; L756-Q799 HydrophobicContact CD2-CB 4.2Å; A795-Q799 WeakPolarHBondContact O-CG 3.4Å; A795-Q799 PolarHBondContact O-N 2.77Å; A795-Q799 VanDerWaalsContact O-N 3.17Å; V796-Q799 PolarHBondContact O-N 2.89Å; F797-Q799 PolarHBondContact O-N 2.83Å; Q799-H802 PolarHBondContact O-N 3.31Å; Q799-T803 PolarHBondContact O-N 3.07Å; Q799-T803 PolarHBondContact O-OG1 2.78Å |
| 800 | L | 92.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.3 | -37.4 | 176.8 | -71.8 | -177.6 | 0 | 0 | 0 | 111.8 | Y752 L785 V796 F797 H802 T803 Y804 A819 F820 | Y752-L800 HydrophobicContact CE2-CD2 4.06Å; L785-L800 HydrophobicContact CB-CD1 4.34Å; L785-L800 HydrophobicContact CB-CD2 4.24Å; L785-L800 HydrophobicContact CD1-CD2 3.77Å; L785-L800 HydrophobicContact CD2-CD2 3.93Å; L785-L800 HydrophobicContact CG-CD2 4.14Å; V796-L800 HydrophobicContact CG1-CD1 3.82Å; V796-L800 HydrophobicContact CG1-CG 4.04Å; V796-L800 WeakPolarHBondContact O-CB 3.5Å; V796-L800 VanDerWaalsContact O-CG 3.23Å; V796-L800 WeakPolarHBondContact O-CG 3.37Å; V796-L800 PolarHBondContact O-N 2.87Å; F797-L800 PolarHBondContact O-N 3Å; L800-H802 VanDerWaalsContact C-N 3.33Å; L800-T803 PolarHBondContact O-N 2.97Å; L800-Y804 WeakPolarHBondContact O-CB 3.5Å; L800-Y804 PolarHBondContact O-N 3.36Å; L800-A819 HydrophobicContact CD1-CB 3.71Å; L800-F820 HydrophobicContact CB-CD1 4.29Å; L800-F820 HydrophobicContact CB-CE1 3.61Å |
| 801 | L | 93.5 | Very high | 87.1 | Confident | 32 Ų | 32 | 56.9 Ų | 56.9 | 17% | 0.168 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.3 | -40.6 | 175.2 | -176.4 | 59.6 | 0 | 0 | 0 | 111.1 | F797 D798 Y804 K805 F820 L835 | F797-L801 HydrophobicContact CE1-CD2 4.17Å; F797-L801 WeakPolarHBondContact O-CB 3.35Å; F797-L801 PolarHBondContact O-N 2.93Å; D798-L801 PolarHBondContact O-N 2.62Å; L801-Y804 PolarHBondContact O-N 2.95Å; L801-K805 WeakPolarHBondContact O-CG 3.38Å; L801-K805 PolarHBondContact O-N 3.47Å; L801-K805 VanDerWaalsContact O-N 3.1Å; L801-F820 HydrophobicContact CB-CE1 4.43Å; L801-F820 HydrophobicContact CB-CZ 4.43Å; L801-F820 HydrophobicContact CD1-CZ 4.23Å; L801-L835 HydrophobicContact CD1-CD1 4.11Å; L801-L835 HydrophobicContact CD1-CD2 3.79Å |
| 802 | H | 93.4 | Very high | 86.6 | Confident | 124 Ų | 124 | 54.9 Ų | 54.9 | 57% | 0.574 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -60.4 | -49.7 | 172.2 | -179 | 75.3 | 0 | 0 | 0 | 111.4 | D798 Q799 L800 Y804 K805 T806 | D798-H802 PolarHBondContact O-N 3.27Å; Q799-H802 PolarHBondContact O-N 3.31Å; L800-H802 VanDerWaalsContact C-N 3.33Å; H802-Y804 VanDerWaalsContact C-N 3.33Å; H802-Y804 PolarHBondContact O-N 3.16Å; H802-K805 PolarHBondContact O-N 3.42Å; H802-K805 VanDerWaalsContact O-N 3.15Å; H802-T806 WeakPolarHBondContact O-CG2 3Å; H802-T806 PolarHBondContact O-N 2.89Å; H802-T806 PolarHBondContact O-OG1 3.1Å |
| 803 | T | 91.1 | Very high | 86.3 | Confident | 23 Ų | 23 | 52.4 Ų | 52.4 | 14% | 0.141 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.4 | -43.1 | 177.6 | -57.3 | 0 | 0 | 0 | 0 | 112.2 | F755 Q799 L800 K805 T806 T807 I812 | F755-T803 HydrophobicContact CE1-CG2 4.07Å; F755-T803 HydrophobicContact CZ-CG2 3.81Å; Q799-T803 PolarHBondContact O-N 3.07Å; Q799-T803 PolarHBondContact O-OG1 2.78Å; L800-T803 PolarHBondContact O-N 2.97Å; T803-K805 VanDerWaalsContact C-N 3.31Å; T803-K805 PolarHBondContact O-N 2.89Å; T803-T806 PolarHBondContact O-N 3.35Å; T803-T806 PolarHBondContact O-OG1 3.03Å; T803-T807 VanDerWaalsContact O-CB 3.23Å; T803-T807 WeakPolarHBondContact O-CB 3.31Å; T803-T807 WeakPolarHBondContact O-CG2 3.16Å; T803-T807 PolarHBondContact O-N 2.67Å; T803-I812 HydrophobicContact CG2-CG2 3.84Å |
| 804 | Y | 90.6 | Very high | 86 | Confident | 17 Ų | 17 | 53.1 Ų | 53.1 | 7% | 0.067 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.2 | -42.9 | 176.5 | 172.8 | -96.3 | 0 | 0 | 0 | 112.1 | L800 L801 H802 K813 C816 M817 F820 E840 I841 | L800-Y804 WeakPolarHBondContact O-CB 3.5Å; L800-Y804 PolarHBondContact O-N 3.36Å; L801-Y804 PolarHBondContact O-N 2.95Å; H802-Y804 VanDerWaalsContact C-N 3.33Å; H802-Y804 PolarHBondContact O-N 3.16Å; Y804-K813 HydrophobicContact CD2-CB 3.9Å; Y804-K813 HydrophobicContact CD2-CG 3.99Å; Y804-K813 HydrophobicContact CE2-CB 3.86Å; Y804-K813 HydrophobicContact CE2-CD 4.3Å; Y804-K813 HydrophobicContact CE2-CG 4.09Å; Y804-K813 WeakPolarHBondContact O-CE 3.5Å; Y804-C816 HydrophobicContact CD2-CB 4.33Å; Y804-M817 HydrophobicContact CD2-CG 4.12Å; Y804-M817 HydrophobicContact CE2-CE 4.18Å; Y804-M817 HydrophobicContact CE2-CG 3.76Å; Y804-M817 HydrophobicContact CE2-SD 3.76Å; Y804-F820 HydrophobicContact CG-CE2 4.38Å; Y804-F820 HydrophobicContact CG-CZ 4.33Å; Y804-E840 PolarHBondContact OH-O 2.82Å; Y804-E840 VanDerWaalsContact OH-O 3.12Å; Y804-I841 HydrophobicContact CE1-CD1 3.79Å; Y804-I841 HydrophobicContact CE2-CD1 4.2Å |
| 805 | K | 90.4 | Very high | 85.6 | Confident | 109 Ų | 109 | 49.1 Ų | 49.1 | 47% | 0.474 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -71.9 | -31.5 | -179.3 | -71.7 | -179.2 | -179.3 | -159.9 | 0 | 113.1 | L801 H802 T803 E840 | L801-K805 WeakPolarHBondContact O-CG 3.38Å; L801-K805 PolarHBondContact O-N 3.47Å; L801-K805 VanDerWaalsContact O-N 3.1Å; H802-K805 PolarHBondContact O-N 3.42Å; H802-K805 VanDerWaalsContact O-N 3.15Å; T803-K805 VanDerWaalsContact C-N 3.31Å; T803-K805 PolarHBondContact O-N 2.89Å; K805-E840 WeakPolarHBondContact CE-OE2 3.15Å; K805-E840 IonicContact NZ-OE1 3.39Å; K805-E840 PolarHBondContact NZ-OE1 3.46Å; K805-E840 IonicContact NZ-OE2 3.94Å; K805-E840 PolarHBondContact NZ-OE2 3.09Å |
| 806 | T | 88.9 | Confident | 85.5 | Confident | 84 Ų | 84 | 46 Ų | 46 | 52% | 0.515 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -99.7 | -25.9 | -172.3 | 57.3 | 0 | 0 | 0 | 0 | 114.3 | H802 T803 | H802-T806 WeakPolarHBondContact O-CG2 3Å; H802-T806 PolarHBondContact O-N 2.89Å; H802-T806 PolarHBondContact O-OG1 3.1Å; T803-T806 PolarHBondContact O-N 3.35Å; T803-T806 PolarHBondContact O-OG1 3.03Å |
| 807 | T | 82.7 | Confident | 85.2 | Confident | 26 Ų | 26 | 45.8 Ų | 45.8 | 16% | 0.16 | 23% | 0.228 | C | C | . | . | trans | -70.3 | 140.8 | -176.5 | -168.8 | 0 | 0 | 0 | 0 | 112.5 | T803 S809 I812 K813 | T803-T807 VanDerWaalsContact O-CB 3.23Å; T803-T807 WeakPolarHBondContact O-CB 3.31Å; T803-T807 WeakPolarHBondContact O-CG2 3.16Å; T803-T807 PolarHBondContact O-N 2.67Å; T807-S809 PolarHBondContact OG1-N 2.85Å; T807-I812 HydrophobicContact CG2-CB 4.08Å; T807-I812 HydrophobicContact CG2-CG2 3.96Å; T807-K813 HydrophobicContact CG2-CD 4.48Å; T807-K813 HydrophobicContact CG2-CG 3.53Å; T807-K813 WeakPolarHBondContact O-CE 3.34Å | ||
| 808 | K | 76 | Confident | 84.7 | Confident | 174 Ų | 174 | 45.6 Ų | 45.6 | 76% | 0.757 | 23% | 0.228 | S | C | * | . | trans | -88.8 | -10 | 170.6 | -62.6 | -169.9 | 178.9 | -170.8 | 0 | 112.8 | K170 | K170-K808 PolarHBondContact O-NZ 3.37Š| ||
| 809 | S | 74.5 | Confident | 84.4 | Confident | 39 Ų | 39 | 41.9 Ų | 41.9 | 27% | 0.273 | 21% | 0.208 | S | C | . | . | trans | -82.6 | 118.3 | -179.5 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | T807 E811 I812 K813 | T807-S809 PolarHBondContact OG1-N 2.85Å; S809-E811 PolarHBondContact O-N 2.86Å; S809-E811 PolarHBondContact OG-N 3.01Å; S809-I812 PolarHBondContact O-N 3.19Å; S809-I812 PolarHBondContact OG-N 2.93Å; S809-K813 PolarHBondContact O-N 3.2Å | ||
| 810 | N | 71.4 | Confident | 84.2 | Confident | 52 Ų | 52 | 38.3 Ų | 38.3 | 28% | 0.278 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60.8 | -33.8 | 172.7 | -72.8 | -36.3 | 0 | 0 | 0 | 111.8 | K813 L814 | N810-K813 PolarHBondContact O-N 3.1Å; N810-L814 VanDerWaalsContact O-CG 3.28Å; N810-L814 WeakPolarHBondContact O-CG 3.42Å; N810-L814 PolarHBondContact O-N 3.18Å; N810-L814 VanDerWaalsContact O-N 3.08Å |
| 811 | E | 72.3 | Confident | 83.7 | Confident | 15 Ų | 15 | 38.3 Ų | 38.3 | 7% | 0.07 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.4 | -47 | 175.9 | -173.5 | 177.2 | -154.5 | 0 | 0 | 111.3 | M318 N779 S809 K813 L814 D815 | M318-E811 HydrophobicContact CE-CB 4Å; M318-E811 HydrophobicContact CE-CG 4.18Å; N779-E811 PolarHBondContact ND2-OE1 2.91Å; S809-E811 PolarHBondContact O-N 2.86Å; S809-E811 PolarHBondContact OG-N 3.01Å; E811-K813 VanDerWaalsContact C-N 3.33Å; E811-K813 PolarHBondContact O-N 3.23Å; E811-L814 WeakPolarHBondContact O-CB 3.36Å; E811-L814 PolarHBondContact O-N 2.81Å; E811-L814 VanDerWaalsContact O-N 3.17Å; E811-D815 PolarHBondContact O-N 3.41Å |
| 812 | I | 78.9 | Confident | 83.4 | Confident | 33 Ų | 33 | 37.1 Ų | 37.1 | 17% | 0.169 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.3 | -37 | 178.8 | -62.3 | 176.9 | 0 | 0 | 0 | 111.1 | F755 T803 T807 S809 L814 D815 C816 | F755-I812 HydrophobicContact CE2-CD1 4.43Å; F755-I812 HydrophobicContact CE2-CG2 4.19Å; F755-I812 HydrophobicContact CZ-CG2 3.88Å; T803-I812 HydrophobicContact CG2-CG2 3.84Å; T807-I812 HydrophobicContact CG2-CB 4.08Å; T807-I812 HydrophobicContact CG2-CG2 3.96Å; S809-I812 PolarHBondContact O-N 3.19Å; S809-I812 PolarHBondContact OG-N 2.93Å; I812-L814 VanDerWaalsContact C-N 3.31Å; I812-L814 PolarHBondContact O-N 3.14Å; I812-D815 PolarHBondContact O-N 3.36Å; I812-C816 PolarHBondContact O-N 3.29Å; I812-C816 PolarHBondContact O-SG 2.86Å |
| 813 | K | 81.4 | Confident | 83.1 | Confident | 41 Ų | 41 | 31.2 Ų | 31.2 | 18% | 0.178 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.7 | -44 | 173.6 | -72.3 | -173 | 179.7 | -179.5 | 0 | 111.5 | Y804 T807 S809 N810 E811 C816 M817 | Y804-K813 HydrophobicContact CD2-CB 3.9Å; Y804-K813 HydrophobicContact CD2-CG 3.99Å; Y804-K813 HydrophobicContact CE2-CB 3.86Å; Y804-K813 HydrophobicContact CE2-CD 4.3Å; Y804-K813 HydrophobicContact CE2-CG 4.09Å; Y804-K813 WeakPolarHBondContact O-CE 3.5Å; T807-K813 HydrophobicContact CG2-CD 4.48Å; T807-K813 HydrophobicContact CG2-CG 3.53Å; T807-K813 WeakPolarHBondContact O-CE 3.34Å; S809-K813 PolarHBondContact O-N 3.2Å; N810-K813 PolarHBondContact O-N 3.1Å; E811-K813 VanDerWaalsContact C-N 3.33Å; E811-K813 PolarHBondContact O-N 3.23Å; K813-C816 PolarHBondContact O-N 3.01Å; K813-M817 WeakPolarHBondContact O-CE 3.35Å; K813-M817 WeakPolarHBondContact O-CG 3.48Å; K813-M817 PolarHBondContact O-N 3.33Å |
| 814 | L | 77.1 | Confident | 82.8 | Confident | 28 Ų | 28 | 33.2 Ų | 33.2 | 15% | 0.147 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62 | -45.8 | 176.4 | -72 | 172.7 | 0 | 0 | 0 | 112.3 | N810 E811 I812 C816 M817 L818 Y848 | N810-L814 VanDerWaalsContact O-CG 3.28Å; N810-L814 WeakPolarHBondContact O-CG 3.42Å; N810-L814 PolarHBondContact O-N 3.18Å; N810-L814 VanDerWaalsContact O-N 3.08Å; E811-L814 WeakPolarHBondContact O-CB 3.36Å; E811-L814 PolarHBondContact O-N 2.81Å; E811-L814 VanDerWaalsContact O-N 3.17Å; I812-L814 VanDerWaalsContact C-N 3.31Å; I812-L814 PolarHBondContact O-N 3.14Å; L814-C816 VanDerWaalsContact C-N 3.3Å; L814-C816 PolarHBondContact O-N 3.29Å; L814-M817 HydrophobicContact CD2-CE 3.78Å; L814-M817 HydrophobicContact CG-CE 4.43Å; L814-M817 PolarHBondContact O-N 3.16Å; L814-L818 PolarHBondContact O-N 2.85Å; L814-Y848 HydrophobicContact CD2-CD1 3.75Å; L814-Y848 HydrophobicContact CD2-CD2 3.23Å; L814-Y848 HydrophobicContact CD2-CE1 3.51Å; L814-Y848 HydrophobicContact CD2-CE2 2.99Å; L814-Y848 HydrophobicContact CD2-CG 3.62Å; L814-Y848 HydrophobicContact CG-CE2 4.45Å |
| 815 | D | 80.6 | Confident | 82.8 | Confident | 5 Ų | 5 | 34.2 Ų | 34.2 | 3% | 0.027 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.7 | -42.3 | 178.3 | -67.4 | -13.8 | 0 | 0 | 0 | 111.2 | N781 M782 L785 E811 I812 L818 A819 | N781-D815 WeakPolarHBondContact CB-OD2 3.36Å; M782-D815 HydrophobicContact CB-CB 3.94Å; M782-D815 WeakPolarHBondContact CB-OD1 3.37Å; L785-D815 HydrophobicContact CD1-CB 3.88Å; E811-D815 PolarHBondContact O-N 3.41Å; I812-D815 PolarHBondContact O-N 3.36Å; D815-L818 PolarHBondContact O-N 2.7Å; D815-A819 WeakPolarHBondContact O-CB 3.35Å; D815-A819 PolarHBondContact O-N 3.48Å |
| 816 | C | 87.6 | Confident | 82.7 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.8 | -46.4 | 175.6 | -64.9 | 0 | 0 | 0 | 0 | 111.6 | Y804 I812 K813 L814 L818 A819 F820 | Y804-C816 HydrophobicContact CD2-CB 4.33Å; I812-C816 PolarHBondContact O-N 3.29Å; I812-C816 PolarHBondContact O-SG 2.86Å; K813-C816 PolarHBondContact O-N 3.01Å; L814-C816 VanDerWaalsContact C-N 3.3Å; L814-C816 PolarHBondContact O-N 3.29Å; C816-L818 PolarHBondContact O-N 3.38Å; C816-A819 PolarHBondContact O-N 3.03Å; C816-A819 VanDerWaalsContact O-N 3.11Å; C816-F820 HydrophobicContact CB-CE1 4.43Å; C816-F820 HydrophobicContact CB-CE2 4.45Å; C816-F820 HydrophobicContact CB-CZ 4.04Å; C816-F820 WeakPolarHBondContact O-CD1 3.31Å; C816-F820 VanDerWaalsContact O-CG 3.23Å; C816-F820 WeakPolarHBondContact O-CG 3.41Å; C816-F820 PolarHBondContact O-N 3.5Å |
| 817 | M | 85 | Confident | 82.8 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.9 | -40.9 | 179.4 | -73.3 | -175.9 | -65.5 | 0 | 0 | 112.7 | Y804 K813 L814 A819 F820 I841 D845 Y848 I849 | Y804-M817 HydrophobicContact CD2-CG 4.12Å; Y804-M817 HydrophobicContact CE2-CE 4.18Å; Y804-M817 HydrophobicContact CE2-CG 3.76Å; Y804-M817 HydrophobicContact CE2-SD 3.76Å; K813-M817 WeakPolarHBondContact O-CE 3.35Å; K813-M817 WeakPolarHBondContact O-CG 3.48Å; K813-M817 PolarHBondContact O-N 3.33Å; L814-M817 HydrophobicContact CD2-CE 3.78Å; L814-M817 HydrophobicContact CG-CE 4.43Å; L814-M817 PolarHBondContact O-N 3.16Å; M817-A819 VanDerWaalsContact C-N 3.32Å; M817-A819 PolarHBondContact O-N 2.99Å; M817-F820 HydrophobicContact CG-CD2 4.34Å; M817-F820 HydrophobicContact CG-CE2 4.23Å; M817-F820 PolarHBondContact O-N 3.07Å; M817-I841 HydrophobicContact CG-CD1 4.18Å; M817-I841 HydrophobicContact SD-CD1 4.09Å; M817-I841 HydrophobicContact SD-CG2 4.06Å; M817-D845 HydrophobicContact CE-CB 3.68Å; M817-D845 HydrophobicContact SD-CB 3.68Å; M817-Y848 HydrophobicContact CE-CD2 4.14Å; M817-I849 HydrophobicContact CB-CG1 3.98Å; M817-I849 HydrophobicContact CG-CG1 4.33Å; M817-I849 WeakPolarHBondContact O-CA 3.43Å; M817-I849 WeakPolarHBondContact O-CG1 3.23Å |
| 818 | L | 82.7 | Confident | 83.2 | Confident | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.2 | -36.3 | 173.5 | -76 | 163.2 | 0 | 0 | 0 | 112.3 | L776 F778 M782 L814 D815 C816 Q822 Y848 A851 G852 | L776-L818 HydrophobicContact CD2-CD2 4.06Å; F778-L818 HydrophobicContact CD1-CD1 4.42Å; F778-L818 HydrophobicContact CE1-CD2 4.26Å; M782-L818 HydrophobicContact CG-CB 3.57Å; M782-L818 HydrophobicContact CG-CD1 3.77Å; M782-L818 HydrophobicContact CG-CG 4.29Å; M782-L818 HydrophobicContact SD-CB 4.1Å; L814-L818 PolarHBondContact O-N 2.85Å; D815-L818 PolarHBondContact O-N 2.7Å; C816-L818 PolarHBondContact O-N 3.38Å; L818-Q822 PolarHBondContact O-NE2 3.22Å; L818-Y848 WeakPolarHBondContact CA-O 3.32Å; L818-Y848 HydrophobicContact CD1-CD1 4.4Å; L818-Y848 HydrophobicContact CD2-CD1 4.4Å; L818-Y848 VanDerWaalsContact CD2-O 3.24Å; L818-Y848 WeakPolarHBondContact CD2-O 3.15Å; L818-Y848 HydrophobicContact CG-CD1 4.32Å; L818-A851 HydrophobicContact CD2-CB 3.72Å; L818-G852 WeakPolarHBondContact O-CA 3.35Å |
| 819 | A | 88.4 | Confident | 83.9 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -73.6 | -33.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L785 S789 L800 D815 C816 M817 G821 Q822 | L785-A819 HydrophobicContact CB-CB 3.62Å; S789-A819 VanDerWaalsContact CB-O 3.28Å; S789-A819 WeakPolarHBondContact CB-O 3.46Å; S789-A819 PolarHBondContact OG-O 3.49Å; L800-A819 HydrophobicContact CD1-CB 3.71Å; D815-A819 WeakPolarHBondContact O-CB 3.35Å; D815-A819 PolarHBondContact O-N 3.48Å; C816-A819 PolarHBondContact O-N 3.03Å; C816-A819 VanDerWaalsContact O-N 3.11Å; M817-A819 VanDerWaalsContact C-N 3.32Å; M817-A819 PolarHBondContact O-N 2.99Å; A819-G821 PolarHBondContact O-N 3.05Å; A819-Q822 PolarHBondContact O-N 3.28Å; A819-Q822 VanDerWaalsContact O-N 3.08Å |
| 820 | F | 88.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -55.6 | -34.6 | 176.9 | -64.5 | -30.1 | 0 | 0 | 0 | 113 | F797 L800 L801 Y804 C816 M817 T832 L835 I849 | F797-F820 AromaticContact CD2-CD1 3.81Å; F797-F820 HydrophobicContact CD2-CD1 3.81Å; F797-F820 HydrophobicContact CD2-CE1 4.4Å; F797-F820 HydrophobicContact CD2-CG 4.49Å; F797-F820 HydrophobicContact CE2-CB 4.23Å; F797-F820 AromaticContact CE2-CD1 3.71Å; F797-F820 HydrophobicContact CE2-CD1 3.71Å; F797-F820 HydrophobicContact CE2-CE1 4.27Å; F797-F820 HydrophobicContact CE2-CG 4.05Å; L800-F820 HydrophobicContact CB-CD1 4.29Å; L800-F820 HydrophobicContact CB-CE1 3.61Å; L801-F820 HydrophobicContact CB-CE1 4.43Å; L801-F820 HydrophobicContact CB-CZ 4.43Å; L801-F820 HydrophobicContact CD1-CZ 4.23Å; Y804-F820 HydrophobicContact CG-CE2 4.38Å; Y804-F820 HydrophobicContact CG-CZ 4.33Å; C816-F820 HydrophobicContact CB-CE1 4.43Å; C816-F820 HydrophobicContact CB-CE2 4.45Å; C816-F820 HydrophobicContact CB-CZ 4.04Å; C816-F820 WeakPolarHBondContact O-CD1 3.31Å; C816-F820 VanDerWaalsContact O-CG 3.23Å; C816-F820 WeakPolarHBondContact O-CG 3.41Å; C816-F820 PolarHBondContact O-N 3.5Å; M817-F820 HydrophobicContact CG-CD2 4.34Å; M817-F820 HydrophobicContact CG-CE2 4.23Å; M817-F820 PolarHBondContact O-N 3.07Å; F820-T832 HydrophobicContact CB-CG2 3.8Å; F820-T832 PolarHBondContact O-OG1 3.04Å; F820-L835 HydrophobicContact CD2-CD2 4.07Å; F820-L835 HydrophobicContact CE2-CD2 3.89Å; F820-I849 HydrophobicContact CD2-CD1 4.36Å; F820-I849 HydrophobicContact CD2-CG1 4.43Å |
| 821 | G | 83.7 | Confident | 85.7 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -12.6 | 180 | 0 | 0 | 0 | 0 | 0 | 115.1 | A819 G852 L853 | A819-G821 PolarHBondContact O-N 3.05Å; G821-G852 VanDerWaalsContact C-C 3.47Å; G821-G852 CarbonylContact C-O 3.6Å; G821-G852 CarbonylContact O-C 3.53Å; G821-L853 VanDerWaalsContact O-CA 3.23Å; G821-L853 WeakPolarHBondContact O-CA 3.3Å; G821-L853 PolarHBondContact O-N 2.92Å |
| 822 | Q | 87.1 | Confident | 86.7 | Confident | 6 Ų | 6 | 25.3 Ų | 25.3 | 3% | 0.028 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 9.3 | -170.2 | -70.1 | -169.5 | 62.1 | 0 | 0 | 114.8 | A786 R790 L818 A819 G852 R855 | A786-Q822 HydrophobicContact CB-CB 4.2Å; A786-Q822 HydrophobicContact CB-CG 4.4Å; R790-Q822 WeakPolarHBondContact CA-O 3.19Å; R790-Q822 WeakPolarHBondContact CB-O 3.46Å; L818-Q822 PolarHBondContact O-NE2 3.22Å; A819-Q822 PolarHBondContact O-N 3.28Å; A819-Q822 VanDerWaalsContact O-N 3.08Å; Q822-G852 VanDerWaalsContact CG-O 3.28Å; Q822-G852 WeakPolarHBondContact CG-O 3.47Å; Q822-R855 HydrophobicContact CG-CB 4.11Å; Q822-R855 HydrophobicContact CG-CG 4.02Å |
| 823 | S | 86.9 | Confident | 87.2 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -71.4 | 139.3 | 177.9 | -164.9 | 0 | 0 | 0 | 0 | 112 | S789 S825 V828 | S789-S823 WeakPolarHBondContact O-CA 2.91Å; S789-S823 WeakPolarHBondContact O-CB 3.23Å; S789-S823 PolarHBondContact O-OG 3.27Å; S789-S823 PolarHBondContact OG-N 3.5Å; S823-S825 PolarHBondContact O-N 2.92Å; S823-S825 PolarHBondContact OG-N 3.45Å; S823-V828 VanDerWaalsContact CB-CG1 3.47Å | ||
| 824 | S | 85 | Confident | 87.6 | Confident | 66 Ų | 66 | 30.2 Ų | 30.2 | 46% | 0.462 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -76.8 | -9.2 | 170.2 | -44.7 | 0 | 0 | 0 | 0 | 112.3 | R790 | R790-S824 WeakPolarHBondContact CG-OG 3.49Å; R790-S824 WeakPolarHBondContact O-CB 3.49Å; R790-S824 PolarHBondContact O-OG 3.35Å |
| 825 | S | 89 | Confident | 88.2 | Confident | 37 Ų | 37 | 29.5 Ų | 29.5 | 26% | 0.259 | 16% | 0.161 | S | C | . | . | trans | -87.2 | 118.3 | -178.6 | 173.6 | 0 | 0 | 0 | 0 | 111.6 | S823 V827 V828 L829 | S823-S825 PolarHBondContact O-N 2.92Å; S823-S825 PolarHBondContact OG-N 3.45Å; S825-V827 PolarHBondContact O-N 3.1Å; S825-V827 PolarHBondContact OG-N 2.73Å; S825-V828 PolarHBondContact O-N 3.37Å; S825-V828 VanDerWaalsContact O-N 3.08Å; S825-V828 PolarHBondContact OG-N 3.44Å; S825-L829 WeakPolarHBondContact O-CG 3.32Å; S825-L829 PolarHBondContact O-N 3.24Å | ||
| 826 | A | 88.6 | Confident | 88.4 | Confident | 52 Ų | 52 | 29.3 Ų | 29.3 | 43% | 0.43 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -56.3 | -33.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L829 Q830 L858 | A826-L829 PolarHBondContact O-N 3.2Å; A826-Q830 WeakPolarHBondContact O-CG 3.4Å; A826-Q830 PolarHBondContact O-N 3.07Å; A826-L858 HydrophobicContact CB-CD2 4.32Å |
| 827 | V | 90.8 | Very high | 88.3 | Confident | 74 Ų | 74 | 33.4 Ų | 33.4 | 45% | 0.448 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -65 | -44.5 | 177 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | S825 Q830 K831 | S825-V827 PolarHBondContact O-N 3.1Å; S825-V827 PolarHBondContact OG-N 2.73Å; V827-Q830 PolarHBondContact O-N 3.43Å; V827-K831 PolarHBondContact O-N 2.76Å |
| 828 | V | 92 | Very high | 88.4 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.9 | -44 | 177 | 174.8 | 0 | 0 | 0 | 0 | 110.5 | E794 F797 S823 S825 Q830 K831 T832 | E794-V828 HydrophobicContact CB-CG2 4.07Å; F797-V828 HydrophobicContact CB-CG1 3.82Å; F797-V828 HydrophobicContact CB-CG2 4.3Å; F797-V828 HydrophobicContact CD2-CG1 3.57Å; F797-V828 HydrophobicContact CE2-CG1 4.4Å; F797-V828 HydrophobicContact CG-CG1 3.85Å; S823-V828 VanDerWaalsContact CB-CG1 3.47Å; S825-V828 PolarHBondContact O-N 3.37Å; S825-V828 VanDerWaalsContact O-N 3.08Å; S825-V828 PolarHBondContact OG-N 3.44Å; V828-Q830 VanDerWaalsContact C-N 3.28Å; V828-Q830 PolarHBondContact O-N 2.75Å; V828-K831 WeakPolarHBondContact O-CB 3.41Å; V828-K831 PolarHBondContact O-N 2.93Å; V828-K831 VanDerWaalsContact O-N 3.08Å; V828-T832 PolarHBondContact O-N 2.95Å; V828-T832 PolarHBondContact O-OG1 3.17Å; V828-T832 VanDerWaalsContact O-OG1 3.09Å |
| 829 | L | 91.2 | Very high | 88.2 | Confident | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.3 | -39.8 | 176.4 | -63.3 | -175.4 | 0 | 0 | 0 | 111.9 | S825 A826 T832 M833 L853 L858 A862 | S825-L829 WeakPolarHBondContact O-CG 3.32Å; S825-L829 PolarHBondContact O-N 3.24Å; A826-L829 PolarHBondContact O-N 3.2Å; L829-T832 WeakPolarHBondContact O-CB 3.33Å; L829-T832 PolarHBondContact O-N 3.08Å; L829-M833 WeakPolarHBondContact O-CG 3.33Å; L829-M833 PolarHBondContact O-N 2.93Å; L829-L853 HydrophobicContact CD2-CD2 3.61Å; L829-L858 HydrophobicContact CD1-CD2 3.85Å; L829-L858 HydrophobicContact CD1-CG 3.81Å; L829-A862 HydrophobicContact CD1-CB 4.49Å |
| 830 | Q | 91.3 | Very high | 88 | Confident | 122 Ų | 122 | 43.8 Ų | 43.8 | 57% | 0.57 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -64.4 | -40.7 | 173.4 | -73.9 | 179.1 | 3.5 | 0 | 0 | 112.9 | A826 V827 V828 M833 K834 | A826-Q830 WeakPolarHBondContact O-CG 3.4Å; A826-Q830 PolarHBondContact O-N 3.07Å; V827-Q830 PolarHBondContact O-N 3.43Å; V828-Q830 VanDerWaalsContact C-N 3.28Å; V828-Q830 PolarHBondContact O-N 2.75Å; Q830-M833 PolarHBondContact O-N 2.8Å; Q830-K834 WeakPolarHBondContact O-CG 3.31Å; Q830-K834 PolarHBondContact O-N 3.16Å |
| 831 | K | 92.6 | Very high | 87.5 | Confident | 60 Ų | 60 | 44 Ų | 44 | 26% | 0.261 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.5 | -46.9 | 173 | -75.2 | -178.8 | 163.4 | -172.4 | 0 | 111 | E794 F797 D798 V827 V828 M833 K834 L835 | E794-K831 WeakPolarHBondContact OE1-CE 3.35Å; E794-K831 IonicContact OE1-NZ 3.68Å; E794-K831 PolarHBondContact OE1-NZ 3.09Å; F797-K831 HydrophobicContact CD1-CB 4.34Å; F797-K831 HydrophobicContact CD1-CD 3.93Å; F797-K831 HydrophobicContact CE1-CB 3.74Å; F797-K831 HydrophobicContact CE1-CD 3.94Å; F797-K831 HydrophobicContact CE1-CG 4.45Å; F797-K831 HydrophobicContact CZ-CB 3.83Å; D798-K831 IonicContact OD1-NZ 2.67Å; D798-K831 PolarHBondContact OD1-NZ 3.19Å; D798-K831 IonicContact OD2-NZ 3.63Å; V827-K831 PolarHBondContact O-N 2.76Å; V828-K831 WeakPolarHBondContact O-CB 3.41Å; V828-K831 PolarHBondContact O-N 2.93Å; V828-K831 VanDerWaalsContact O-N 3.08Å; K831-M833 VanDerWaalsContact C-N 3.26Å; K831-M833 PolarHBondContact O-N 2.79Å; K831-K834 PolarHBondContact O-N 2.81Å; K831-L835 PolarHBondContact O-N 3.15Å |
| 832 | T | 91.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -55.3 | -41.7 | 175.1 | -62.9 | 0 | 0 | 0 | 0 | 111.7 | F797 F820 V828 L829 L835 M836 I849 | F797-T832 VanDerWaalsContact CE2-OG1 3.24Å; F797-T832 WeakPolarHBondContact CE2-OG1 3.07Å; F820-T832 HydrophobicContact CB-CG2 3.8Å; F820-T832 PolarHBondContact O-OG1 3.04Å; V828-T832 PolarHBondContact O-N 2.95Å; V828-T832 PolarHBondContact O-OG1 3.17Å; V828-T832 VanDerWaalsContact O-OG1 3.09Å; L829-T832 WeakPolarHBondContact O-CB 3.33Å; L829-T832 PolarHBondContact O-N 3.08Å; T832-L835 WeakPolarHBondContact O-CB 3.41Å; T832-L835 PolarHBondContact O-N 3.44Å; T832-M836 WeakPolarHBondContact O-CG 3.46Å; T832-M836 PolarHBondContact O-N 3.24Å; T832-M836 VanDerWaalsContact O-N 3.13Å; T832-I849 HydrophobicContact CG2-CG2 3.24Å |
| 833 | M | 89.3 | Confident | 85.7 | Confident | 32 Ų | 32 | 48 Ų | 48 | 16% | 0.158 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -70 | -40.3 | 179.5 | -62.8 | -105.2 | -73.9 | 0 | 0 | 112.9 | L829 Q830 K831 L835 M836 L837 L853 A862 F866 | L829-M833 WeakPolarHBondContact O-CG 3.33Å; L829-M833 PolarHBondContact O-N 2.93Å; Q830-M833 PolarHBondContact O-N 2.8Å; K831-M833 VanDerWaalsContact C-N 3.26Å; K831-M833 PolarHBondContact O-N 2.79Å; M833-L835 VanDerWaalsContact C-N 3.28Å; M833-L835 PolarHBondContact O-N 3.01Å; M833-M836 HydrophobicContact CB-CE 4.28Å; M833-M836 HydrophobicContact CG-CE 4.04Å; M833-M836 PolarHBondContact O-N 3.26Å; M833-M836 HydrophobicContact SD-CE 3.6Å; M833-L837 PolarHBondContact O-N 3.4Å; M833-L853 HydrophobicContact SD-CD1 4.46Å; M833-A862 VanDerWaalsContact CE-O 3.24Å; M833-A862 WeakPolarHBondContact CE-O 3.27Å; M833-F866 HydrophobicContact CB-CD2 3.99Å; M833-F866 HydrophobicContact CB-CE2 4.19Å; M833-F866 HydrophobicContact CE-CB 3.36Å; M833-F866 HydrophobicContact CE-CD2 3.46Å; M833-F866 VanDerWaalsContact CE-CD2 3.46Å; M833-F866 HydrophobicContact CE-CG 3.8Å; M833-F866 HydrophobicContact CG-CD2 4.31Å; M833-F866 WeakPolarHBondContact O-CE2 3.2Å; M833-F866 HydrophobicContact SD-CB 3.37Å; M833-F866 WeakPolarHBondContact SD-CB 3.3Å; M833-F866 HydrophobicContact SD-CD2 3.35Å; M833-F866 WeakPolarHBondContact SD-CD2 3.44Å; M833-F866 HydrophobicContact SD-CE2 4.27Å; M833-F866 HydrophobicContact SD-CG 3.49Å; M833-F866 WeakPolarHBondContact SD-CG 3.43Å |
| 834 | K | 90.6 | Very high | 84.5 | Confident | 145 Ų | 145 | 51 Ų | 51 | 63% | 0.63 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -61.2 | -40.5 | 172.4 | -71.8 | 175.4 | -178.7 | 178 | 0 | 111 | Q830 K831 M836 L837 | Q830-K834 WeakPolarHBondContact O-CG 3.31Å; Q830-K834 PolarHBondContact O-N 3.16Å; K831-K834 PolarHBondContact O-N 2.81Å; K834-M836 VanDerWaalsContact C-N 3.33Å; K834-M836 PolarHBondContact O-N 2.84Å; K834-L837 WeakPolarHBondContact O-CB 3.38Å; K834-L837 PolarHBondContact O-N 3.28Å; K834-L837 VanDerWaalsContact O-N 3.09Å |
| 835 | L | 90.1 | Very high | 83.8 | Confident | 14 Ų | 14 | 48.8 Ų | 48.8 | 7% | 0.073 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.4 | -40.7 | 176.7 | -177.3 | 65 | 0 | 0 | 0 | 112 | L801 F820 K831 T832 M833 L837 T838 E840 I841 | L801-L835 HydrophobicContact CD1-CD1 4.11Å; L801-L835 HydrophobicContact CD1-CD2 3.79Å; F820-L835 HydrophobicContact CD2-CD2 4.07Å; F820-L835 HydrophobicContact CE2-CD2 3.89Å; K831-L835 PolarHBondContact O-N 3.15Å; T832-L835 WeakPolarHBondContact O-CB 3.41Å; T832-L835 PolarHBondContact O-N 3.44Å; M833-L835 VanDerWaalsContact C-N 3.28Å; M833-L835 PolarHBondContact O-N 3.01Å; L835-L837 PolarHBondContact O-N 2.85Å; L835-T838 PolarHBondContact O-N 3.05Å; L835-T838 PolarHBondContact O-OG1 3.39Å; L835-E840 HydrophobicContact CD1-CB 4.03Å; L835-E840 HydrophobicContact CD1-CG 4.48Å; L835-E840 VanDerWaalsContact CD1-OE2 3.32Å; L835-E840 WeakPolarHBondContact CD1-OE2 3.37Å; L835-I841 HydrophobicContact CD1-CG1 4.29Å; L835-I841 HydrophobicContact CD2-CD1 3.95Å; L835-I841 HydrophobicContact CD2-CG1 4.08Å; L835-I841 HydrophobicContact CG-CD1 4.09Å; L835-I841 HydrophobicContact CG-CG1 3.68Å |
| 836 | M | 85 | Confident | 83 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.7 | -20.1 | 175 | -68.8 | -169.1 | -65.7 | 0 | 0 | 114.3 | T832 M833 K834 I846 I849 F850 L853 F866 | T832-M836 WeakPolarHBondContact O-CG 3.46Å; T832-M836 PolarHBondContact O-N 3.24Å; T832-M836 VanDerWaalsContact O-N 3.13Å; M833-M836 HydrophobicContact CB-CE 4.28Å; M833-M836 HydrophobicContact CG-CE 4.04Å; M833-M836 PolarHBondContact O-N 3.26Å; M833-M836 HydrophobicContact SD-CE 3.6Å; K834-M836 VanDerWaalsContact C-N 3.33Å; K834-M836 PolarHBondContact O-N 2.84Å; M836-I846 HydrophobicContact CG-CG2 4.31Å; M836-I846 HydrophobicContact SD-CG2 3.72Å; M836-I849 HydrophobicContact CE-CG2 4.24Å; M836-I849 HydrophobicContact CG-CB 4.35Å; M836-I849 HydrophobicContact CG-CD1 3.63Å; M836-I849 HydrophobicContact CG-CG2 4.05Å; M836-I849 HydrophobicContact SD-CB 3.88Å; M836-I849 HydrophobicContact SD-CD1 4.3Å; M836-I849 HydrophobicContact SD-CG2 3.5Å; M836-I849 WeakPolarHBondContact SD-CG2 3.45Å; M836-F850 HydrophobicContact SD-CE2 4.38Å; M836-L853 HydrophobicContact CE-CD1 4.04Å; M836-F866 HydrophobicContact CB-CE1 4.38Å; M836-F866 HydrophobicContact CB-CE2 4.37Å; M836-F866 HydrophobicContact CB-CZ 3.76Å; M836-F866 HydrophobicContact CE-CD1 3.92Å; M836-F866 HydrophobicContact CE-CD2 4.04Å; M836-F866 HydrophobicContact CE-CE1 3.84Å; M836-F866 HydrophobicContact CE-CE2 3.96Å; M836-F866 HydrophobicContact CE-CG 3.99Å; M836-F866 HydrophobicContact CE-CZ 3.85Å; M836-F866 HydrophobicContact SD-CE1 4.42Å |
| 837 | L | 84.8 | Confident | 82 | Confident | 86 Ų | 86 | 45.1 Ų | 45.1 | 45% | 0.45 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -10.2 | 176.6 | -61.2 | 175 | 0 | 0 | 0 | 113 | M833 K834 L835 F866 N870 M873 | M833-L837 PolarHBondContact O-N 3.4Å; K834-L837 WeakPolarHBondContact O-CB 3.38Å; K834-L837 PolarHBondContact O-N 3.28Å; K834-L837 VanDerWaalsContact O-N 3.09Å; L835-L837 PolarHBondContact O-N 2.85Å; L837-F866 HydrophobicContact CD1-CE2 4.34Å; L837-F866 HydrophobicContact CD2-CE2 3.71Å; L837-F866 HydrophobicContact CD2-CZ 3.57Å; L837-F866 HydrophobicContact CG-CE2 3.86Å; L837-F866 HydrophobicContact CG-CZ 4.05Å; L837-N870 WeakPolarHBondContact CD2-OD1 3.37Å; L837-M873 HydrophobicContact CD2-CE 3.82Å |
| 838 | T | 86.2 | Confident | 81.3 | Confident | 51 Ų | 51 | 42.3 Ų | 42.3 | 31% | 0.313 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -89.8 | 166 | 177.5 | 72.7 | 0 | 0 | 0 | 0 | 111.5 | L835 E840 | L835-T838 PolarHBondContact O-N 3.05Å; L835-T838 PolarHBondContact O-OG1 3.39Å; T838-E840 PolarHBondContact O-N 3.48Å; T838-E840 WeakPolarHBondContact OG1-CB 3.45Å; T838-E840 PolarHBondContact OG1-N 3.21Å |
| 839 | D | 79.6 | Confident | 80.8 | Confident | 84 Ų | 84 | 42.3 Ų | 42.3 | 45% | 0.449 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 0.5 | 171.6 | -65.5 | -33.6 | 0 | 0 | 0 | 113.2 | ||
| 840 | E | 83.3 | Confident | 80.1 | Confident | 86 Ų | 86 | 42.4 Ų | 42.4 | 40% | 0.402 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -34.3 | 179.1 | -61.4 | -168.6 | -176.4 | 0 | 0 | 112.5 | Y804 K805 L835 T838 | Y804-E840 PolarHBondContact OH-O 2.82Å; Y804-E840 VanDerWaalsContact OH-O 3.12Å; K805-E840 WeakPolarHBondContact CE-OE2 3.15Å; K805-E840 IonicContact NZ-OE1 3.39Å; K805-E840 PolarHBondContact NZ-OE1 3.46Å; K805-E840 IonicContact NZ-OE2 3.94Å; K805-E840 PolarHBondContact NZ-OE2 3.09Å; L835-E840 HydrophobicContact CD1-CB 4.03Å; L835-E840 HydrophobicContact CD1-CG 4.48Å; L835-E840 VanDerWaalsContact CD1-OE2 3.32Å; L835-E840 WeakPolarHBondContact CD1-OE2 3.37Å; T838-E840 PolarHBondContact O-N 3.48Å; T838-E840 WeakPolarHBondContact OG1-CB 3.45Å; T838-E840 PolarHBondContact OG1-N 3.21Å |
| 841 | I | 78.1 | Confident | 79.4 | Confident | 5 Ų | 5 | 36.6 Ų | 36.6 | 3% | 0.026 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -98.7 | 119.6 | 176.4 | -55.6 | -67.7 | 0 | 0 | 0 | 108.4 | Y804 M817 L835 L843 I846 I849 | Y804-I841 HydrophobicContact CE1-CD1 3.79Å; Y804-I841 HydrophobicContact CE2-CD1 4.2Å; M817-I841 HydrophobicContact CG-CD1 4.18Å; M817-I841 HydrophobicContact SD-CD1 4.09Å; M817-I841 HydrophobicContact SD-CG2 4.06Å; L835-I841 HydrophobicContact CD1-CG1 4.29Å; L835-I841 HydrophobicContact CD2-CD1 3.95Å; L835-I841 HydrophobicContact CD2-CG1 4.08Å; L835-I841 HydrophobicContact CG-CD1 4.09Å; L835-I841 HydrophobicContact CG-CG1 3.68Å; I841-L843 PolarHBondContact O-N 3.43Å; I841-I846 HydrophobicContact CG2-CG1 3.82Å; I841-I849 HydrophobicContact CD1-CD1 4.14Å; I841-I849 HydrophobicContact CG1-CD1 4.05Å; I841-I849 HydrophobicContact CG2-CD1 4.04Å |
| 842 | R | 69.1 | Low | 78.7 | Confident | 39 Ų | 39 | 33.8 Ų | 33.8 | 15% | 0.147 | 17% | 0.165 | C | C | . | . | trans | -57.7 | 136.8 | 175.3 | -60.7 | 178.4 | 173.2 | 164.8 | 0.3 | 109.1 | S8 Y9 Q844 D845 I846 | S8-R842 VanDerWaalsContact O-CZ 3.23Å; S8-R842 PolarHBondContact O-NH1 2.92Å; S8-R842 PolarHBondContact O-NH2 3.25Å; S8-R842 PolarHBondContact OG-NH1 3.42Å; Y9-R842 WeakPolarHBondContact O-CD 3.46Å; Y9-R842 WeakPolarHBondContact O-CG 3.29Å; Y9-R842 PolarHBondContact O-NE 3.36Å; R842-Q844 VanDerWaalsContact C-N 3.31Å; R842-Q844 HydrophobicContact CB-CG 4.21Å; R842-Q844 PolarHBondContact O-N 3.48Å; R842-D845 HydrophobicContact CB-CB 4.19Å; R842-D845 WeakPolarHBondContact CB-OD2 3.23Å; R842-D845 WeakPolarHBondContact CD-OD2 3.09Å; R842-D845 WeakPolarHBondContact O-CA 3.4Å; R842-D845 WeakPolarHBondContact O-CB 3.2Å; R842-D845 PolarHBondContact O-N 3.29Å; R842-I846 PolarHBondContact O-N 2.63Å | ||
| 843 | L | 63.7 | Low | 78.4 | Confident | 50 Ų | 50 | 33.8 Ų | 33.8 | 26% | 0.262 | 17% | 0.165 | S | C | . | . | G | 310 helix | trans | -46.9 | -57.2 | 178.7 | -176.4 | 64.8 | 0 | 0 | 0 | 110.9 | I841 D845 I846 K877 F902 | I841-L843 PolarHBondContact O-N 3.43Å; L843-D845 PolarHBondContact O-N 3.03Å; L843-I846 HydrophobicContact CD1-CD1 4Å; L843-I846 WeakPolarHBondContact O-CB 3.45Å; L843-I846 WeakPolarHBondContact O-CG1 3.31Å; L843-I846 PolarHBondContact O-N 3.43Å; L843-K877 HydrophobicContact CD1-CB 3.89Å; L843-K877 HydrophobicContact CD1-CD 3.58Å; L843-K877 HydrophobicContact CD1-CG 4.37Å; L843-K877 HydrophobicContact CD2-CB 3.76Å; L843-K877 HydrophobicContact CD2-CD 4.37Å; L843-K877 HydrophobicContact CG-CB 4.48Å; L843-K877 HydrophobicContact CG-CD 4.5Å; L843-F902 VanDerWaalsContact C-CD2 3.45Å; L843-F902 VanDerWaalsContact C-CE2 3.44Å; L843-F902 HydrophobicContact CB-CE2 4.44Å; L843-F902 HydrophobicContact CD1-CE1 4.19Å; L843-F902 HydrophobicContact CD1-CE2 3.5Å; L843-F902 HydrophobicContact CD1-CZ 3.24Å; L843-F902 HydrophobicContact CD2-CE1 4.31Å; L843-F902 HydrophobicContact CD2-CZ 4.13Å; L843-F902 HydrophobicContact CG-CD2 4.19Å; L843-F902 HydrophobicContact CG-CE1 4.03Å; L843-F902 HydrophobicContact CG-CE2 3.52Å; L843-F902 HydrophobicContact CG-CZ 3.42Å; L843-F902 VanDerWaalsContact CG-CZ 3.42Å; L843-F902 WeakPolarHBondContact O-CD2 3.35Å; L843-F902 WeakPolarHBondContact O-CE2 3.47Å |
| 844 | Q | 62.5 | Low | 77.9 | Confident | 64 Ų | 64 | 32.5 Ų | 32.5 | 30% | 0.299 | 16% | 0.159 | S | C | . | . | G | 310 helix | trans | -56.2 | -16.9 | 179.5 | 68.5 | -177 | 33 | 0 | 0 | 115.6 | S8 R842 L847 | S8-Q844 VanDerWaalsContact CB-NE2 3.34Å; R842-Q844 VanDerWaalsContact C-N 3.31Å; R842-Q844 HydrophobicContact CB-CG 4.21Å; R842-Q844 PolarHBondContact O-N 3.48Å; Q844-L847 WeakPolarHBondContact O-CD2 2.98Å |
| 845 | D | 71.1 | Confident | 77.3 | Confident | 20 Ų | 20 | 27.4 Ų | 27.4 | 11% | 0.107 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -103 | -10.5 | -177.9 | -64.1 | -30.3 | 0 | 0 | 0 | 113.2 | M817 R842 L843 L847 Y848 | M817-D845 HydrophobicContact CE-CB 3.68Å; M817-D845 HydrophobicContact SD-CB 3.68Å; R842-D845 HydrophobicContact CB-CB 4.19Å; R842-D845 WeakPolarHBondContact CB-OD2 3.23Å; R842-D845 WeakPolarHBondContact CD-OD2 3.09Å; R842-D845 WeakPolarHBondContact O-CA 3.4Å; R842-D845 WeakPolarHBondContact O-CB 3.2Å; R842-D845 PolarHBondContact O-N 3.29Å; L843-D845 PolarHBondContact O-N 3.03Å; D845-L847 PolarHBondContact O-N 3.32Å; D845-Y848 HydrophobicContact CB-CD2 3.97Å; D845-Y848 HydrophobicContact CB-CE2 4.31Å; D845-Y848 WeakPolarHBondContact O-CB 2.72Å; D845-Y848 VanDerWaalsContact O-CD2 3.26Å; D845-Y848 WeakPolarHBondContact O-CD2 3.19Å; D845-Y848 PolarHBondContact O-N 2.85Å; D845-Y848 WeakPolarHBondContact OD1-CE2 3.4Å |
| 846 | I | 72.5 | Confident | 76.9 | Confident | 10 Ų | 10 | 27 Ų | 27 | 5% | 0.051 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -53.1 | -30.6 | 174.7 | -67.3 | -179.1 | 0 | 0 | 0 | 111.5 | M836 I841 R842 L843 Y848 I849 F850 F902 | M836-I846 HydrophobicContact CG-CG2 4.31Å; M836-I846 HydrophobicContact SD-CG2 3.72Å; I841-I846 HydrophobicContact CG2-CG1 3.82Å; R842-I846 PolarHBondContact O-N 2.63Å; L843-I846 HydrophobicContact CD1-CD1 4Å; L843-I846 WeakPolarHBondContact O-CB 3.45Å; L843-I846 WeakPolarHBondContact O-CG1 3.31Å; L843-I846 PolarHBondContact O-N 3.43Å; I846-Y848 PolarHBondContact O-N 3.44Å; I846-Y848 VanDerWaalsContact O-N 3.14Å; I846-I849 WeakPolarHBondContact O-CB 3.44Å; I846-I849 PolarHBondContact O-N 2.73Å; I846-I849 VanDerWaalsContact O-N 3.11Å; I846-F850 HydrophobicContact CG2-CD2 3.71Å; I846-F850 HydrophobicContact CG2-CE2 3.55Å; I846-F850 PolarHBondContact O-N 3.24Å; I846-F850 VanDerWaalsContact O-N 3.14Å; I846-F902 HydrophobicContact CB-CE2 4.32Å |
| 847 | L | 67.6 | Low | 76.8 | Confident | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -53.2 | -34.3 | 175.7 | 81.2 | 94.5 | 0 | 0 | 0 | 113.2 | Q844 D845 I849 F850 A851 K901 | Q844-L847 WeakPolarHBondContact O-CD2 2.98Å; D845-L847 PolarHBondContact O-N 3.32Å; L847-I849 VanDerWaalsContact C-N 3.28Å; L847-F850 PolarHBondContact O-N 2.88Å; L847-A851 VanDerWaalsContact O-CB 3.28Å; L847-A851 WeakPolarHBondContact O-CB 3.27Å; L847-A851 PolarHBondContact O-N 3.24Å; L847-K901 HydrophobicContact CD2-CB 3.54Å; L847-K901 HydrophobicContact CD2-CG 4.43Å; L847-K901 WeakPolarHBondContact CD2-O 3.48Å |
| 848 | Y | 74.6 | Confident | 76.9 | Confident | 14 Ų | 14 | 27.7 Ų | 27.7 | 6% | 0.055 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -73.6 | -33.2 | -173 | -67.2 | -72.3 | 0 | 0 | 0 | 108.6 | L814 M817 L818 D845 I846 A851 G852 K901 | L814-Y848 HydrophobicContact CD2-CD1 3.75Å; L814-Y848 HydrophobicContact CD2-CD2 3.23Å; L814-Y848 HydrophobicContact CD2-CE1 3.51Å; L814-Y848 HydrophobicContact CD2-CE2 2.99Å; L814-Y848 HydrophobicContact CD2-CG 3.62Å; L814-Y848 HydrophobicContact CG-CE2 4.45Å; M817-Y848 HydrophobicContact CE-CD2 4.14Å; L818-Y848 WeakPolarHBondContact CA-O 3.32Å; L818-Y848 HydrophobicContact CD1-CD1 4.4Å; L818-Y848 HydrophobicContact CD2-CD1 4.4Å; L818-Y848 VanDerWaalsContact CD2-O 3.24Å; L818-Y848 WeakPolarHBondContact CD2-O 3.15Å; L818-Y848 HydrophobicContact CG-CD1 4.32Å; D845-Y848 HydrophobicContact CB-CD2 3.97Å; D845-Y848 HydrophobicContact CB-CE2 4.31Å; D845-Y848 WeakPolarHBondContact O-CB 2.72Å; D845-Y848 VanDerWaalsContact O-CD2 3.26Å; D845-Y848 WeakPolarHBondContact O-CD2 3.19Å; D845-Y848 PolarHBondContact O-N 2.85Å; D845-Y848 WeakPolarHBondContact OD1-CE2 3.4Å; I846-Y848 PolarHBondContact O-N 3.44Å; I846-Y848 VanDerWaalsContact O-N 3.14Å; Y848-A851 PolarHBondContact O-N 2.89Å; Y848-G852 PolarHBondContact O-N 3.45Å; Y848-G852 VanDerWaalsContact O-N 3.08Å; Y848-K901 HydrophobicContact CE1-CD 4.3Å; Y848-K901 WeakPolarHBondContact OH-CD 3.47Å; Y848-K901 PolarHBondContact OH-NZ 3.42Å |
| 849 | I | 81.5 | Confident | 76.9 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.9 | -48 | 170.6 | -62.2 | 174.9 | 0 | 0 | 0 | 110.3 | M817 F820 T832 M836 I841 I846 L847 A851 G852 L853 | M817-I849 HydrophobicContact CB-CG1 3.98Å; M817-I849 HydrophobicContact CG-CG1 4.33Å; M817-I849 WeakPolarHBondContact O-CA 3.43Å; M817-I849 WeakPolarHBondContact O-CG1 3.23Å; F820-I849 HydrophobicContact CD2-CD1 4.36Å; F820-I849 HydrophobicContact CD2-CG1 4.43Å; T832-I849 HydrophobicContact CG2-CG2 3.24Å; M836-I849 HydrophobicContact CE-CG2 4.24Å; M836-I849 HydrophobicContact CG-CB 4.35Å; M836-I849 HydrophobicContact CG-CD1 3.63Å; M836-I849 HydrophobicContact CG-CG2 4.05Å; M836-I849 HydrophobicContact SD-CB 3.88Å; M836-I849 HydrophobicContact SD-CD1 4.3Å; M836-I849 HydrophobicContact SD-CG2 3.5Å; M836-I849 WeakPolarHBondContact SD-CG2 3.45Å; I841-I849 HydrophobicContact CD1-CD1 4.14Å; I841-I849 HydrophobicContact CG1-CD1 4.05Å; I841-I849 HydrophobicContact CG2-CD1 4.04Å; I846-I849 WeakPolarHBondContact O-CB 3.44Å; I846-I849 PolarHBondContact O-N 2.73Å; I846-I849 VanDerWaalsContact O-N 3.11Å; L847-I849 VanDerWaalsContact C-N 3.28Å; I849-A851 VanDerWaalsContact C-N 3.3Å; I849-A851 PolarHBondContact O-N 3.23Å; I849-G852 CarbonylContact O-C 3.57Å; I849-G852 WeakPolarHBondContact O-CA 3.35Å; I849-G852 PolarHBondContact O-N 3.45Å; I849-L853 HydrophobicContact CG2-CD1 3.98Å; I849-L853 HydrophobicContact CG2-CG 4.24Å; I849-L853 WeakPolarHBondContact O-CG 3.3Å; I849-L853 PolarHBondContact O-N 3.39Å |
| 850 | F | 77.4 | Confident | 77.3 | Confident | 6 Ų | 6 | 21.3 Ų | 21.3 | 3% | 0.026 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -57.4 | -42.7 | 174.8 | -82.3 | -69.1 | 0 | 0 | 0 | 112.7 | M836 I846 L847 G852 L853 V854 A863 F866 A905 V909 | M836-F850 HydrophobicContact SD-CE2 4.38Å; I846-F850 HydrophobicContact CG2-CD2 3.71Å; I846-F850 HydrophobicContact CG2-CE2 3.55Å; I846-F850 PolarHBondContact O-N 3.24Å; I846-F850 VanDerWaalsContact O-N 3.14Å; L847-F850 PolarHBondContact O-N 2.88Å; F850-G852 PolarHBondContact O-N 3.41Å; F850-L853 HydrophobicContact CD1-CD1 4.24Å; F850-L853 PolarHBondContact O-N 3.03Å; F850-L853 VanDerWaalsContact O-N 3.12Å; F850-V854 WeakPolarHBondContact O-CG1 3.35Å; F850-V854 WeakPolarHBondContact O-CG2 3.18Å; F850-V854 PolarHBondContact O-N 2.88Å; F850-A863 HydrophobicContact CD1-CB 3.81Å; F850-A863 HydrophobicContact CE1-CB 3.89Å; F850-F866 HydrophobicContact CE1-CD1 4.33Å; F850-F866 AromaticContact CZ-CD1 3.7Å; F850-F866 HydrophobicContact CZ-CD1 3.7Å; F850-F866 HydrophobicContact CZ-CE1 4.2Å; F850-A905 HydrophobicContact CB-CB 3.97Å; F850-A905 HydrophobicContact CD1-CB 4.42Å; F850-A905 HydrophobicContact CD2-CB 3.39Å; F850-A905 HydrophobicContact CE2-CB 3.86Å; F850-A905 HydrophobicContact CG-CB 3.69Å; F850-V909 HydrophobicContact CD1-CG2 3.46Å; F850-V909 VanDerWaalsContact CD1-CG2 3.46Å; F850-V909 HydrophobicContact CE1-CG2 3.78Å; F850-V909 HydrophobicContact CG-CG2 4.43Å |
| 851 | A | 75.4 | Confident | 77.4 | Confident | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.008 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.7 | -32.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | L776 L818 L847 Y848 I849 R855 L908 | L776-A851 HydrophobicContact CD1-CB 3.66Å; L776-A851 HydrophobicContact CD2-CB 3.45Å; L776-A851 VanDerWaalsContact CD2-CB 3.45Å; L776-A851 HydrophobicContact CG-CB 4.21Å; L818-A851 HydrophobicContact CD2-CB 3.72Å; L847-A851 VanDerWaalsContact O-CB 3.28Å; L847-A851 WeakPolarHBondContact O-CB 3.27Å; L847-A851 PolarHBondContact O-N 3.24Å; Y848-A851 PolarHBondContact O-N 2.89Å; I849-A851 VanDerWaalsContact C-N 3.3Å; I849-A851 PolarHBondContact O-N 3.23Å; A851-R855 WeakPolarHBondContact O-CG 3.46Å; A851-L908 HydrophobicContact CB-CD1 4.08Å |
| 852 | G | 79.5 | Confident | 77.9 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -71.2 | -48.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L818 G821 Q822 Y848 I849 F850 V854 R855 | L818-G852 WeakPolarHBondContact O-CA 3.35Å; G821-G852 VanDerWaalsContact C-C 3.47Å; G821-G852 CarbonylContact C-O 3.6Å; G821-G852 CarbonylContact O-C 3.53Å; Q822-G852 VanDerWaalsContact CG-O 3.28Å; Q822-G852 WeakPolarHBondContact CG-O 3.47Å; Y848-G852 PolarHBondContact O-N 3.45Å; Y848-G852 VanDerWaalsContact O-N 3.08Å; I849-G852 CarbonylContact O-C 3.57Å; I849-G852 WeakPolarHBondContact O-CA 3.35Å; I849-G852 PolarHBondContact O-N 3.45Å; F850-G852 PolarHBondContact O-N 3.41Å; G852-V854 VanDerWaalsContact C-N 3.29Å; G852-V854 PolarHBondContact O-N 3.39Å; G852-R855 VanDerWaalsContact O-CB 3.28Å; G852-R855 WeakPolarHBondContact O-CB 3.41Å; G852-R855 WeakPolarHBondContact O-CG 3.37Å; G852-R855 PolarHBondContact O-N 3.29Å |
| 853 | L | 83.9 | Confident | 78.7 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -56.2 | -42.3 | -176.9 | -73.1 | 170.4 | 0 | 0 | 0 | 112.3 | G821 L829 M833 M836 I849 F850 R855 G859 Q860 A863 | G821-L853 VanDerWaalsContact O-CA 3.23Å; G821-L853 WeakPolarHBondContact O-CA 3.3Å; G821-L853 PolarHBondContact O-N 2.92Å; L829-L853 HydrophobicContact CD2-CD2 3.61Å; M833-L853 HydrophobicContact SD-CD1 4.46Å; M836-L853 HydrophobicContact CE-CD1 4.04Å; I849-L853 HydrophobicContact CG2-CD1 3.98Å; I849-L853 HydrophobicContact CG2-CG 4.24Å; I849-L853 WeakPolarHBondContact O-CG 3.3Å; I849-L853 PolarHBondContact O-N 3.39Å; F850-L853 HydrophobicContact CD1-CD1 4.24Å; F850-L853 PolarHBondContact O-N 3.03Å; F850-L853 VanDerWaalsContact O-N 3.12Å; L853-R855 PolarHBondContact O-N 3.17Å; L853-G859 CarbonylContact O-C 3.55Å; L853-G859 WeakPolarHBondContact O-CA 3.44Å; L853-Q860 PolarHBondContact O-N 3.48Å; L853-A863 HydrophobicContact CB-CB 3.99Å; L853-A863 HydrophobicContact CD1-CB 3.96Å |
| 854 | V | 79.8 | Confident | 79.9 | Confident | 6 Ų | 6 | 16.9 Ų | 16.9 | 4% | 0.036 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 0.9 | -173.6 | -59.6 | 0 | 0 | 0 | 0 | 114.4 | F850 G852 T856 Q860 L908 V909 | F850-V854 WeakPolarHBondContact O-CG1 3.35Å; F850-V854 WeakPolarHBondContact O-CG2 3.18Å; F850-V854 PolarHBondContact O-N 2.88Å; G852-V854 VanDerWaalsContact C-N 3.29Å; G852-V854 PolarHBondContact O-N 3.39Å; V854-T856 VanDerWaalsContact C-N 3.31Å; V854-Q860 HydrophobicContact CB-CG 4.05Å; V854-Q860 HydrophobicContact CG1-CG 4.45Å; V854-Q860 WeakPolarHBondContact O-CG 3.27Å; V854-Q860 PolarHBondContact O-NE2 3.12Å; V854-L908 HydrophobicContact CG1-CB 4.04Å; V854-L908 WeakPolarHBondContact CG1-O 3.39Å; V854-L908 HydrophobicContact CG2-CB 4.08Å; V854-L908 HydrophobicContact CG2-CD2 4.22Å; V854-V909 HydrophobicContact CG1-CG2 4Å |
| 855 | R | 78.5 | Confident | 81.2 | Confident | 37 Ų | 37 | 17.4 Ų | 17.4 | 14% | 0.14 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -5.1 | -178.8 | -58.6 | -67.9 | -64.1 | 172.1 | 5.1 | 114.1 | E738 R790 Q822 A851 G852 L853 | E738-R855 IonicContact OE1-CZ 3.93Å; E738-R855 IonicContact OE1-NE 2.85Å; E738-R855 IonicContact OE1-NH2 3.75Å; E738-R855 PolarHBondContact OE1-NH2 3.43Å; E738-R855 IonicContact OE2-NH2 3.35Å; R790-R855 PolarHBondContact NH2-O 3.35Å; Q822-R855 HydrophobicContact CG-CB 4.11Å; Q822-R855 HydrophobicContact CG-CG 4.02Å; A851-R855 WeakPolarHBondContact O-CG 3.46Å; G852-R855 VanDerWaalsContact O-CB 3.28Å; G852-R855 WeakPolarHBondContact O-CB 3.41Å; G852-R855 WeakPolarHBondContact O-CG 3.37Å; G852-R855 PolarHBondContact O-N 3.29Å; L853-R855 PolarHBondContact O-N 3.17Å |
| 856 | T | 80.4 | Confident | 82 | Confident | 5 Ų | 5 | 16.8 Ų | 16.8 | 3% | 0.031 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -136.7 | 151.2 | 175.8 | 61.6 | 0 | 0 | 0 | 0 | 109.2 | R790 V854 L858 G859 Q860 | R790-T856 VanDerWaalsContact NH2-CG2 3.33Å; V854-T856 VanDerWaalsContact C-N 3.31Å; T856-L858 VanDerWaalsContact C-N 3.29Å; T856-L858 PolarHBondContact O-N 2.82Å; T856-G859 PolarHBondContact O-N 3.34Å; T856-G859 PolarHBondContact OG1-N 2.74Å; T856-Q860 WeakPolarHBondContact O-CG 3.37Å; T856-Q860 PolarHBondContact O-N 3.31Å |
| 857 | S | 84.1 | Confident | 82.5 | Confident | 25 Ų | 25 | 16.3 Ų | 16.3 | 18% | 0.175 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -56.6 | -44.6 | 174.5 | 60 | 0 | 0 | 0 | 0 | 111.8 | E674 G859 Q860 D861 | E674-S857 VanDerWaalsContact CD-OG 3.24Å; E674-S857 VanDerWaalsContact OE1-CB 3.28Å; E674-S857 WeakPolarHBondContact OE1-CB 2.93Å; E674-S857 PolarHBondContact OE1-N 2.83Å; E674-S857 PolarHBondContact OE1-OG 3.43Å; E674-S857 PolarHBondContact OE2-N 3.22Å; S857-G859 PolarHBondContact O-N 3.03Å; S857-Q860 WeakPolarHBondContact O-CB 3.49Å; S857-Q860 PolarHBondContact O-N 2.66Å; S857-D861 PolarHBondContact O-N 3.12Å; S857-D861 VanDerWaalsContact O-N 3.09Å |
| 858 | L | 86.2 | Confident | 83.5 | Confident | 76 Ų | 76 | 18.9 Ų | 18.9 | 40% | 0.398 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -59.2 | -45.5 | 176.7 | -177 | 67.2 | 0 | 0 | 0 | 112.4 | A826 L829 T856 D861 A862 | A826-L858 HydrophobicContact CB-CD2 4.32Å; L829-L858 HydrophobicContact CD1-CD2 3.85Å; L829-L858 HydrophobicContact CD1-CG 3.81Å; T856-L858 VanDerWaalsContact C-N 3.29Å; T856-L858 PolarHBondContact O-N 2.82Å; L858-D861 PolarHBondContact O-N 2.94Å; L858-A862 WeakPolarHBondContact O-CB 3.39Å; L858-A862 PolarHBondContact O-N 3.5Å |
| 859 | G | 86.6 | Confident | 84.2 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -70.5 | -32.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L853 T856 S857 A862 A863 | L853-G859 CarbonylContact O-C 3.55Å; L853-G859 WeakPolarHBondContact O-CA 3.44Å; T856-G859 PolarHBondContact O-N 3.34Å; T856-G859 PolarHBondContact OG1-N 2.74Å; S857-G859 PolarHBondContact O-N 3.03Å; G859-A862 PolarHBondContact O-N 3.46Å; G859-A863 WeakPolarHBondContact O-CB 3.34Å; G859-A863 PolarHBondContact O-N 3.11Å |
| 860 | Q | 86.9 | Confident | 84.5 | Confident | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.009 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.6 | -45.2 | 172.8 | -69.1 | 163.8 | 27.7 | 0 | 0 | 111.4 | N671 L853 V854 T856 S857 A863 W864 H912 | N671-Q860 PolarHBondContact OD1-NE2 3.16Å; L853-Q860 PolarHBondContact O-N 3.48Å; V854-Q860 HydrophobicContact CB-CG 4.05Å; V854-Q860 HydrophobicContact CG1-CG 4.45Å; V854-Q860 WeakPolarHBondContact O-CG 3.27Å; V854-Q860 PolarHBondContact O-NE2 3.12Å; T856-Q860 WeakPolarHBondContact O-CG 3.37Å; T856-Q860 PolarHBondContact O-N 3.31Å; S857-Q860 WeakPolarHBondContact O-CB 3.49Å; S857-Q860 PolarHBondContact O-N 2.66Å; Q860-A863 PolarHBondContact O-N 3.07Å; Q860-W864 PolarHBondContact O-N 3.26Å; Q860-H912 VanDerWaalsContact CD-CB 3.41Å; Q860-H912 HydrophobicContact CG-CB 4.1Å; Q860-H912 PolarHBondContact OE1-O 2.95Å |
| 861 | D | 87 | Confident | 84.7 | Confident | 63 Ų | 63 | 24.7 Ų | 24.7 | 34% | 0.337 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -67.9 | -41.3 | 177.6 | -71.8 | -20.4 | 0 | 0 | 0 | 111.9 | S857 L858 A863 W864 N865 Q913 | S857-D861 PolarHBondContact O-N 3.12Å; S857-D861 VanDerWaalsContact O-N 3.09Å; L858-D861 PolarHBondContact O-N 2.94Å; D861-A863 VanDerWaalsContact C-N 3.34Å; D861-A863 PolarHBondContact O-N 2.89Å; D861-W864 PolarHBondContact O-N 3.28Å; D861-N865 WeakPolarHBondContact O-CB 3.4Å; D861-N865 VanDerWaalsContact O-CG 3.28Å; D861-N865 PolarHBondContact O-N 2.83Å; D861-N865 PolarHBondContact O-ND2 3.2Å; D861-N865 VanDerWaalsContact O-ND2 3.11Å; D861-Q913 PolarHBondContact OD1-NE2 2.78Å; D861-Q913 PolarHBondContact OD1-OE1 2.72Å |
| 862 | A | 87.9 | Confident | 85 | Confident | 22 Ų | 22 | 27 Ų | 27 | 18% | 0.182 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.5 | -46.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | L829 M833 L858 G859 N865 F866 | L829-A862 HydrophobicContact CD1-CB 4.49Å; M833-A862 VanDerWaalsContact CE-O 3.24Å; M833-A862 WeakPolarHBondContact CE-O 3.27Å; L858-A862 WeakPolarHBondContact O-CB 3.39Å; L858-A862 PolarHBondContact O-N 3.5Å; G859-A862 PolarHBondContact O-N 3.46Å; A862-N865 PolarHBondContact O-N 3.12Å; A862-F866 PolarHBondContact O-N 2.87Å |
| 863 | A | 86.3 | Confident | 85 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.4 | -38.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F850 L853 G859 Q860 D861 F866 F867 V909 | F850-A863 HydrophobicContact CD1-CB 3.81Å; F850-A863 HydrophobicContact CE1-CB 3.89Å; L853-A863 HydrophobicContact CB-CB 3.99Å; L853-A863 HydrophobicContact CD1-CB 3.96Å; G859-A863 WeakPolarHBondContact O-CB 3.34Å; G859-A863 PolarHBondContact O-N 3.11Å; Q860-A863 PolarHBondContact O-N 3.07Å; D861-A863 VanDerWaalsContact C-N 3.34Å; D861-A863 PolarHBondContact O-N 2.89Å; A863-F866 WeakPolarHBondContact O-CB 3.27Å; A863-F866 PolarHBondContact O-N 3.1Å; A863-F867 PolarHBondContact O-N 3.22Å; A863-V909 HydrophobicContact CB-CG1 4.22Å; A863-V909 HydrophobicContact CB-CG2 3.55Å |
| 864 | W | 88.5 | Confident | 84.5 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.1 | -44.9 | 174.3 | 175.5 | -124.5 | 0 | 0 | 0 | 111.9 | Q860 D861 F866 F867 K868 F906 V909 E921 I922 F925 | Q860-W864 PolarHBondContact O-N 3.26Å; D861-W864 PolarHBondContact O-N 3.28Å; W864-F866 VanDerWaalsContact C-N 3.29Å; W864-F866 PolarHBondContact O-N 3.08Å; W864-F867 HydrophobicContact CE3-CB 4.31Å; W864-F867 HydrophobicContact CE3-CD1 4.14Å; W864-F867 HydrophobicContact CH2-CD1 4.47Å; W864-F867 AromaticContact CZ3-CD1 3.56Å; W864-F867 HydrophobicContact CZ3-CD1 3.56Å; W864-F867 HydrophobicContact CZ3-CE1 4.17Å; W864-F867 HydrophobicContact CZ3-CG 4.37Å; W864-F867 PolarHBondContact O-N 2.84Å; W864-K868 HydrophobicContact CD2-CD 4.3Å; W864-K868 HydrophobicContact CD2-CG 4.04Å; W864-K868 HydrophobicContact CE3-CG 4.23Å; W864-K868 HydrophobicContact CH2-CD 4.21Å; W864-K868 HydrophobicContact CH2-CG 3.71Å; W864-K868 HydrophobicContact CZ2-CD 3.48Å; W864-K868 VanDerWaalsContact CZ2-CD 3.48Å; W864-K868 HydrophobicContact CZ2-CG 3.5Å; W864-K868 VanDerWaalsContact CZ2-CG 3.5Å; W864-K868 HydrophobicContact CZ3-CG 4.05Å; W864-K868 VanDerWaalsContact NE1-CE 3.35Å; W864-K868 PolarHBondContact O-N 2.82Å; W864-F906 HydrophobicContact CE3-CE2 4.37Å; W864-F906 HydrophobicContact CH2-CE2 4.36Å; W864-F906 HydrophobicContact CZ3-CD2 4.19Å; W864-F906 AromaticContact CZ3-CE2 3.64Å; W864-F906 HydrophobicContact CZ3-CE2 3.64Å; W864-V909 VanDerWaalsContact CA-CG1 3.42Å; W864-V909 HydrophobicContact CB-CG1 3.66Å; W864-V909 HydrophobicContact CE3-CG1 4.13Å; W864-E921 PolarHBondContact NE1-OE1 3.49Å; W864-I922 HydrophobicContact CD2-CG1 4.23Å; W864-I922 HydrophobicContact CE3-CG1 4.48Å; W864-I922 HydrophobicContact CH2-CB 4.2Å; W864-I922 HydrophobicContact CH2-CG1 3.76Å; W864-I922 HydrophobicContact CH2-CG2 4.16Å; W864-I922 HydrophobicContact CZ2-CB 4.12Å; W864-I922 HydrophobicContact CZ2-CG1 3.41Å; W864-I922 VanDerWaalsContact CZ2-CG1 3.41Å; W864-I922 HydrophobicContact CZ3-CG1 4.3Å; W864-F925 HydrophobicContact CH2-CB 4.15Å; W864-F925 AromaticContact CH2-CD1 3.68Å; W864-F925 HydrophobicContact CH2-CD1 3.68Å; W864-F925 HydrophobicContact CH2-CE1 4.3Å; W864-F925 AromaticContact CH2-CG 3.97Å; W864-F925 HydrophobicContact CH2-CG 3.97Å; W864-F925 HydrophobicContact CZ2-CB 4.28Å; W864-F925 HydrophobicContact CZ2-CD1 4.49Å; W864-F925 HydrophobicContact CZ2-CG 4.35Å; W864-F925 HydrophobicContact CZ3-CD1 4.43Å |
| 865 | N | 89.4 | Confident | 84.1 | Confident | 75 Ų | 75 | 30.4 Ų | 30.4 | 40% | 0.401 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -64.1 | -35.2 | 176.6 | -70.6 | -33.2 | 0 | 0 | 0 | 112.1 | D861 A862 K868 S869 | D861-N865 WeakPolarHBondContact O-CB 3.4Å; D861-N865 VanDerWaalsContact O-CG 3.28Å; D861-N865 PolarHBondContact O-N 2.83Å; D861-N865 PolarHBondContact O-ND2 3.2Å; D861-N865 VanDerWaalsContact O-ND2 3.11Å; A862-N865 PolarHBondContact O-N 3.12Å; N865-K868 WeakPolarHBondContact OD1-CE 3.38Å; N865-K868 PolarHBondContact OD1-NZ 2.87Å; N865-S869 WeakPolarHBondContact O-CB 3.47Å; N865-S869 PolarHBondContact O-N 3.08Å; N865-S869 PolarHBondContact O-OG 2.79Å |
| 866 | F | 87.3 | Confident | 83.7 | Confident | 7 Ų | 7 | 36 Ų | 36 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.7 | -52.7 | 170.8 | -167 | -106.2 | 0 | 0 | 0 | 111.8 | M833 M836 L837 F850 A862 A863 W864 K868 S869 N870 | M833-F866 HydrophobicContact CB-CD2 3.99Å; M833-F866 HydrophobicContact CB-CE2 4.19Å; M833-F866 HydrophobicContact CE-CB 3.36Å; M833-F866 HydrophobicContact CE-CD2 3.46Å; M833-F866 VanDerWaalsContact CE-CD2 3.46Å; M833-F866 HydrophobicContact CE-CG 3.8Å; M833-F866 HydrophobicContact CG-CD2 4.31Å; M833-F866 WeakPolarHBondContact O-CE2 3.2Å; M833-F866 HydrophobicContact SD-CB 3.37Å; M833-F866 WeakPolarHBondContact SD-CB 3.3Å; M833-F866 HydrophobicContact SD-CD2 3.35Å; M833-F866 WeakPolarHBondContact SD-CD2 3.44Å; M833-F866 HydrophobicContact SD-CE2 4.27Å; M833-F866 HydrophobicContact SD-CG 3.49Å; M833-F866 WeakPolarHBondContact SD-CG 3.43Å; M836-F866 HydrophobicContact CB-CE1 4.38Å; M836-F866 HydrophobicContact CB-CE2 4.37Å; M836-F866 HydrophobicContact CB-CZ 3.76Å; M836-F866 HydrophobicContact CE-CD1 3.92Å; M836-F866 HydrophobicContact CE-CD2 4.04Å; M836-F866 HydrophobicContact CE-CE1 3.84Å; M836-F866 HydrophobicContact CE-CE2 3.96Å; M836-F866 HydrophobicContact CE-CG 3.99Å; M836-F866 HydrophobicContact CE-CZ 3.85Å; M836-F866 HydrophobicContact SD-CE1 4.42Å; L837-F866 HydrophobicContact CD1-CE2 4.34Å; L837-F866 HydrophobicContact CD2-CE2 3.71Å; L837-F866 HydrophobicContact CD2-CZ 3.57Å; L837-F866 HydrophobicContact CG-CE2 3.86Å; L837-F866 HydrophobicContact CG-CZ 4.05Å; F850-F866 HydrophobicContact CE1-CD1 4.33Å; F850-F866 AromaticContact CZ-CD1 3.7Å; F850-F866 HydrophobicContact CZ-CD1 3.7Å; F850-F866 HydrophobicContact CZ-CE1 4.2Å; A862-F866 PolarHBondContact O-N 2.87Å; A863-F866 WeakPolarHBondContact O-CB 3.27Å; A863-F866 PolarHBondContact O-N 3.1Å; W864-F866 VanDerWaalsContact C-N 3.29Å; W864-F866 PolarHBondContact O-N 3.08Å; F866-K868 VanDerWaalsContact C-N 3.34Å; F866-K868 PolarHBondContact O-N 2.86Å; F866-S869 PolarHBondContact O-N 3.46Å; F866-N870 WeakPolarHBondContact CD2-ND2 3.43Å; F866-N870 HydrophobicContact CE1-CB 4.47Å; F866-N870 WeakPolarHBondContact O-CB 3.27Å; F866-N870 PolarHBondContact O-N 3.16Å; F866-N870 PolarHBondContact O-ND2 2.98Å |
| 867 | F | 84 | Confident | 83 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 0% | 0.004 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.6 | -48.7 | -174.8 | -177.9 | -88.6 | 0 | 0 | 0 | 109.8 | A863 W864 S869 N870 V871 I874 V889 F906 F925 F926 | A863-F867 PolarHBondContact O-N 3.22Å; W864-F867 HydrophobicContact CE3-CB 4.31Å; W864-F867 HydrophobicContact CE3-CD1 4.14Å; W864-F867 HydrophobicContact CH2-CD1 4.47Å; W864-F867 AromaticContact CZ3-CD1 3.56Å; W864-F867 HydrophobicContact CZ3-CD1 3.56Å; W864-F867 HydrophobicContact CZ3-CE1 4.17Å; W864-F867 HydrophobicContact CZ3-CG 4.37Å; W864-F867 PolarHBondContact O-N 2.84Å; F867-S869 PolarHBondContact O-N 2.75Å; F867-N870 PolarHBondContact O-N 3.25Å; F867-V871 HydrophobicContact CE1-CG2 4.25Å; F867-V871 HydrophobicContact CZ-CG2 4.35Å; F867-V871 WeakPolarHBondContact O-CA 3.49Å; F867-V871 WeakPolarHBondContact O-CB 3.36Å; F867-V871 PolarHBondContact O-N 2.77Å; F867-I874 HydrophobicContact CD2-CD1 3.75Å; F867-I874 HydrophobicContact CE2-CD1 4.13Å; F867-I874 HydrophobicContact CG-CD1 4.47Å; F867-V889 HydrophobicContact CE2-CG1 4.41Å; F867-F906 HydrophobicContact CD1-CD2 4.01Å; F867-F906 HydrophobicContact CD1-CE2 4.44Å; F867-F906 HydrophobicContact CD2-CB 4.45Å; F867-F906 HydrophobicContact CD2-CD2 4.34Å; F867-F906 AromaticContact CE1-CD2 3.67Å; F867-F906 HydrophobicContact CE1-CD2 3.67Å; F867-F906 HydrophobicContact CE1-CE2 4.09Å; F867-F906 HydrophobicContact CE2-CB 3.98Å; F867-F906 HydrophobicContact CE2-CD2 4.05Å; F867-F906 HydrophobicContact CE2-CG 4.39Å; F867-F906 HydrophobicContact CG-CD2 4.31Å; F867-F906 HydrophobicContact CZ-CB 4.27Å; F867-F906 AromaticContact CZ-CD2 3.71Å; F867-F906 HydrophobicContact CZ-CD2 3.71Å; F867-F906 HydrophobicContact CZ-CE2 4.47Å; F867-F906 HydrophobicContact CZ-CG 4.23Å; F867-F925 HydrophobicContact CD1-CE1 4.12Å; F867-F925 AromaticContact CE1-CE1 3.87Å; F867-F925 HydrophobicContact CE1-CE1 3.87Å; F867-F926 AromaticContact CE1-CE2 3.99Å; F867-F926 HydrophobicContact CE1-CE2 3.99Å; F867-F926 AromaticContact CE1-CZ 4Å; F867-F926 HydrophobicContact CE1-CZ 4Å; F867-F926 HydrophobicContact CZ-CZ 4.11Å |
| 868 | K | 88.1 | Confident | 81.7 | Confident | 56 Ų | 56 | 38.4 Ų | 38.4 | 24% | 0.243 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56 | -48.1 | 175.4 | -73.8 | -169.1 | -66.6 | 179.3 | 0 | 112.7 | W864 N865 F866 N870 E921 F925 | W864-K868 HydrophobicContact CD2-CD 4.3Å; W864-K868 HydrophobicContact CD2-CG 4.04Å; W864-K868 HydrophobicContact CE3-CG 4.23Å; W864-K868 HydrophobicContact CH2-CD 4.21Å; W864-K868 HydrophobicContact CH2-CG 3.71Å; W864-K868 HydrophobicContact CZ2-CD 3.48Å; W864-K868 VanDerWaalsContact CZ2-CD 3.48Å; W864-K868 HydrophobicContact CZ2-CG 3.5Å; W864-K868 VanDerWaalsContact CZ2-CG 3.5Å; W864-K868 HydrophobicContact CZ3-CG 4.05Å; W864-K868 VanDerWaalsContact NE1-CE 3.35Å; W864-K868 PolarHBondContact O-N 2.82Å; N865-K868 WeakPolarHBondContact OD1-CE 3.38Å; N865-K868 PolarHBondContact OD1-NZ 2.87Å; F866-K868 VanDerWaalsContact C-N 3.34Å; F866-K868 PolarHBondContact O-N 2.86Å; K868-N870 VanDerWaalsContact C-N 3.26Å; K868-N870 PolarHBondContact O-N 3.36Å; K868-E921 IonicContact NZ-OE1 2.99Å; K868-E921 PolarHBondContact NZ-OE1 2.87Å; K868-F925 HydrophobicContact CB-CE2 3.97Å; K868-F925 HydrophobicContact CB-CZ 4.16Å; K868-F925 HydrophobicContact CD-CD2 4.24Å; K868-F925 HydrophobicContact CD-CE2 4.46Å; K868-F925 HydrophobicContact CG-CD2 3.97Å; K868-F925 HydrophobicContact CG-CE1 4.42Å; K868-F925 HydrophobicContact CG-CE2 3.82Å; K868-F925 HydrophobicContact CG-CG 4.32Å; K868-F925 HydrophobicContact CG-CZ 4.05Å |
| 869 | S | 90.5 | Very high | 80.5 | Confident | 95 Ų | 95 | 37.2 Ų | 37.2 | 66% | 0.664 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -72.9 | -19.5 | -174.1 | -52.3 | 0 | 0 | 0 | 0 | 113.4 | N865 F866 F867 | N865-S869 WeakPolarHBondContact O-CB 3.47Å; N865-S869 PolarHBondContact O-N 3.08Å; N865-S869 PolarHBondContact O-OG 2.79Å; F866-S869 PolarHBondContact O-N 3.46Å; F867-S869 PolarHBondContact O-N 2.75Å |
| 870 | N | 86.3 | Confident | 79.2 | Confident | 37 Ų | 37 | 38.9 Ų | 38.9 | 20% | 0.198 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -125.6 | 16.6 | -172.1 | -59.9 | -82 | 0 | 0 | 0 | 113 | L837 F866 F867 K868 G872 M873 I874 | L837-N870 WeakPolarHBondContact CD2-OD1 3.37Å; F866-N870 WeakPolarHBondContact CD2-ND2 3.43Å; F866-N870 HydrophobicContact CE1-CB 4.47Å; F866-N870 WeakPolarHBondContact O-CB 3.27Å; F866-N870 PolarHBondContact O-N 3.16Å; F866-N870 PolarHBondContact O-ND2 2.98Å; F867-N870 PolarHBondContact O-N 3.25Å; K868-N870 VanDerWaalsContact C-N 3.26Å; K868-N870 PolarHBondContact O-N 3.36Å; N870-G872 VanDerWaalsContact C-N 3.27Å; N870-G872 PolarHBondContact O-N 3.42Å; N870-M873 HydrophobicContact CB-CE 4.19Å; N870-M873 PolarHBondContact O-N 3.17Å; N870-M873 VanDerWaalsContact O-N 3.13Å; N870-I874 WeakPolarHBondContact O-CG1 3.31Å; N870-I874 PolarHBondContact O-N 3.22Å |
| 871 | V | 81.5 | Confident | 77.7 | Confident | 10 Ų | 10 | 40.6 Ų | 40.6 | 6% | 0.061 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.6 | -39.3 | -175.8 | 69.8 | 0 | 0 | 0 | 0 | 112.2 | F867 M873 I874 V875 F925 E929 L931 | F867-V871 HydrophobicContact CE1-CG2 4.25Å; F867-V871 HydrophobicContact CZ-CG2 4.35Å; F867-V871 WeakPolarHBondContact O-CA 3.49Å; F867-V871 WeakPolarHBondContact O-CB 3.36Å; F867-V871 PolarHBondContact O-N 2.77Å; V871-M873 PolarHBondContact O-N 3.45Å; V871-I874 PolarHBondContact O-N 2.66Å; V871-I874 VanDerWaalsContact O-N 3.17Å; V871-V875 HydrophobicContact CG2-CG2 4.18Å; V871-V875 WeakPolarHBondContact O-CB 3.49Å; V871-V875 VanDerWaalsContact O-CG2 3.31Å; V871-V875 WeakPolarHBondContact O-CG2 3.34Å; V871-V875 PolarHBondContact O-N 3.08Å; V871-F925 HydrophobicContact CB-CE1 4.42Å; V871-F925 HydrophobicContact CB-CZ 3.98Å; V871-F925 HydrophobicContact CG1-CZ 3.83Å; V871-F925 HydrophobicContact CG2-CE1 4.3Å; V871-F925 HydrophobicContact CG2-CZ 4.3Å; V871-E929 HydrophobicContact CG1-CG 4.46Å; V871-L931 HydrophobicContact CG2-CD1 3.72Å; V871-L931 HydrophobicContact CG2-CD2 4.23Å |
| 872 | G | 81.9 | Confident | 76.1 | Confident | 49 Ų | 49 | 42.2 Ų | 42.2 | 51% | 0.505 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.1 | -45.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | N870 V875 E876 | N870-G872 VanDerWaalsContact C-N 3.27Å; N870-G872 PolarHBondContact O-N 3.42Å; G872-V875 PolarHBondContact O-N 3.24Å; G872-E876 VanDerWaalsContact O-CB 3.29Å; G872-E876 WeakPolarHBondContact O-CB 3.37Å; G872-E876 PolarHBondContact O-N 3.28Å |
| 873 | M | 79.2 | Confident | 74.6 | Confident | 43 Ų | 43 | 41.8 Ų | 41.8 | 21% | 0.212 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 175 | 178.8 | -81.7 | -72 | 0 | 0 | 111.5 | L837 N870 V871 E876 K877 | L837-M873 HydrophobicContact CD2-CE 3.82Å; N870-M873 HydrophobicContact CB-CE 4.19Å; N870-M873 PolarHBondContact O-N 3.17Å; N870-M873 VanDerWaalsContact O-N 3.13Å; V871-M873 PolarHBondContact O-N 3.45Å; M873-E876 PolarHBondContact O-N 2.88Å; M873-K877 HydrophobicContact CG-CD 4.48Å; M873-K877 WeakPolarHBondContact O-CB 3.41Å; M873-K877 WeakPolarHBondContact O-CG 3.23Å; M873-K877 PolarHBondContact O-N 2.99Å; M873-K877 HydrophobicContact SD-CD 3.6Å; M873-K877 HydrophobicContact SD-CG 4.1Å |
| 874 | I | 73.6 | Confident | 73 | Confident | 12 Ų | 12 | 42.7 Ų | 42.7 | 6% | 0.062 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63 | -46.3 | 178.5 | -65 | 167.3 | 0 | 0 | 0 | 110.3 | F867 N870 V871 K877 C878 F886 V889 | F867-I874 HydrophobicContact CD2-CD1 3.75Å; F867-I874 HydrophobicContact CE2-CD1 4.13Å; F867-I874 HydrophobicContact CG-CD1 4.47Å; N870-I874 WeakPolarHBondContact O-CG1 3.31Å; N870-I874 PolarHBondContact O-N 3.22Å; V871-I874 PolarHBondContact O-N 2.66Å; V871-I874 VanDerWaalsContact O-N 3.17Å; I874-K877 PolarHBondContact O-N 3.43Å; I874-C878 WeakPolarHBondContact O-CB 3.4Å; I874-C878 PolarHBondContact O-N 3.34Å; I874-C878 PolarHBondContact O-SG 2.91Å; I874-F886 HydrophobicContact CG2-CE2 4.38Å; I874-V889 HydrophobicContact CG2-CG1 4.28Å |
| 875 | V | 72.4 | Confident | 71.3 | Confident | 23 Ų | 23 | 44.1 Ų | 44.1 | 14% | 0.139 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.3 | -48 | 177.9 | 168 | 0 | 0 | 0 | 0 | 111.5 | V871 G872 K877 C878 G879 P881 F886 L931 | V871-V875 HydrophobicContact CG2-CG2 4.18Å; V871-V875 WeakPolarHBondContact O-CB 3.49Å; V871-V875 VanDerWaalsContact O-CG2 3.31Å; V871-V875 WeakPolarHBondContact O-CG2 3.34Å; V871-V875 PolarHBondContact O-N 3.08Å; G872-V875 PolarHBondContact O-N 3.24Å; V875-K877 VanDerWaalsContact C-N 3.33Å; V875-K877 PolarHBondContact O-N 3.27Å; V875-C878 CarbonylContact O-C 3.6Å; V875-C878 WeakPolarHBondContact O-CA 3.42Å; V875-C878 WeakPolarHBondContact O-CB 3.43Å; V875-C878 PolarHBondContact O-N 2.94Å; V875-C878 VanDerWaalsContact O-N 3.12Å; V875-G879 CarbonylContact O-C 3.56Å; V875-G879 PolarHBondContact O-N 3.41Å; V875-P881 VanDerWaalsContact CG1-CD 3.48Å; V875-P881 HydrophobicContact CG1-CG 3.67Å; V875-P881 HydrophobicContact CG2-CG 4.37Å; V875-F886 HydrophobicContact CG2-CD2 3.82Å; V875-F886 HydrophobicContact CG2-CE2 3.39Å; V875-F886 HydrophobicContact CG2-CZ 3.88Å; V875-L931 HydrophobicContact CG2-CD2 3.93Å |
| 876 | E | 70.3 | Confident | 69.8 | Low | 154 Ų | 154 | 40.6 Ų | 40.6 | 72% | 0.72 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -58.5 | -46.6 | 178.6 | -176.4 | -176.5 | 176.8 | 0 | 0 | 110.7 | G872 M873 C878 G879 | G872-E876 VanDerWaalsContact O-CB 3.29Å; G872-E876 WeakPolarHBondContact O-CB 3.37Å; G872-E876 PolarHBondContact O-N 3.28Å; M873-E876 PolarHBondContact O-N 2.88Å; E876-C878 VanDerWaalsContact C-N 3.3Å; E876-C878 PolarHBondContact O-N 3.14Å; E876-G879 WeakPolarHBondContact O-CA 3.48Å; E876-G879 PolarHBondContact O-N 3.31Å |
| 877 | K | 64.3 | Low | 68.1 | Low | 77 Ų | 77 | 40.6 Ų | 40.6 | 34% | 0.335 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -67.7 | -28.3 | 176.6 | -71.7 | -163.6 | -176.6 | -168.8 | 0 | 113.2 | L843 M873 I874 V875 G879 | L843-K877 HydrophobicContact CD1-CB 3.89Å; L843-K877 HydrophobicContact CD1-CD 3.58Å; L843-K877 HydrophobicContact CD1-CG 4.37Å; L843-K877 HydrophobicContact CD2-CB 3.76Å; L843-K877 HydrophobicContact CD2-CD 4.37Å; L843-K877 HydrophobicContact CG-CB 4.48Å; L843-K877 HydrophobicContact CG-CD 4.5Å; M873-K877 HydrophobicContact CG-CD 4.48Å; M873-K877 WeakPolarHBondContact O-CB 3.41Å; M873-K877 WeakPolarHBondContact O-CG 3.23Å; M873-K877 PolarHBondContact O-N 2.99Å; M873-K877 HydrophobicContact SD-CD 3.6Å; M873-K877 HydrophobicContact SD-CG 4.1Å; I874-K877 PolarHBondContact O-N 3.43Å; V875-K877 VanDerWaalsContact C-N 3.33Å; V875-K877 PolarHBondContact O-N 3.27Å; K877-G879 VanDerWaalsContact C-N 3.29Å |
| 878 | C | 58.5 | Low | 66.5 | Low | 4 Ų | 4 | 41.5 Ų | 41.5 | 3% | 0.027 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -75.7 | -16.1 | 169.5 | -69 | 0 | 0 | 0 | 0 | 113.5 | I874 V875 E876 S883 L885 F886 F902 | I874-C878 WeakPolarHBondContact O-CB 3.4Å; I874-C878 PolarHBondContact O-N 3.34Å; I874-C878 PolarHBondContact O-SG 2.91Å; V875-C878 CarbonylContact O-C 3.6Å; V875-C878 WeakPolarHBondContact O-CA 3.42Å; V875-C878 WeakPolarHBondContact O-CB 3.43Å; V875-C878 PolarHBondContact O-N 2.94Å; V875-C878 VanDerWaalsContact O-N 3.12Å; E876-C878 VanDerWaalsContact C-N 3.3Å; E876-C878 PolarHBondContact O-N 3.14Å; C878-S883 WeakPolarHBondContact O-CB 3.34Å; C878-S883 PolarHBondContact O-OG 2.77Å; C878-L885 HydrophobicContact CB-CB 4.25Å; C878-L885 HydrophobicContact CB-CD2 4.4Å; C878-L885 HydrophobicContact CB-CG 4.05Å; C878-L885 WeakPolarHBondContact O-CB 3.25Å; C878-F886 HydrophobicContact CB-CB 3.7Å; C878-F886 HydrophobicContact CB-CD2 4.2Å; C878-F886 HydrophobicContact CB-CG 4.45Å; C878-F902 VanDerWaalsContact SG-CE1 3.59Å |
| 879 | G | 60.3 | Low | 64.8 | Low | 50 Ų | 50 | 39 Ų | 39 | 52% | 0.515 | 24% | 0.241 | S | C | . | . | S | Bend | trans | 96.7 | -52.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | V875 E876 K877 | V875-G879 CarbonylContact O-C 3.56Å; V875-G879 PolarHBondContact O-N 3.41Å; E876-G879 WeakPolarHBondContact O-CA 3.48Å; E876-G879 PolarHBondContact O-N 3.31Å; K877-G879 VanDerWaalsContact C-N 3.29Å |
| 880 | S | 58.8 | Low | 62.8 | Low | 35 Ų | 35 | 34.5 Ų | 34.5 | 25% | 0.245 | 21% | 0.21 | C | C | . | . | trans | -160.7 | 162.5 | 174.6 | 73.1 | 0 | 0 | 0 | 0 | 112.2 | T882 S883 F886 | S880-T882 PolarHBondContact O-N 3.17Å; S880-T882 PolarHBondContact OG-N 3.05Å; S880-T882 PolarHBondContact OG-OG1 3Å; S880-S883 VanDerWaalsContact O-CB 3.23Å; S880-S883 WeakPolarHBondContact O-CB 3.33Å; S880-S883 PolarHBondContact O-N 2.68Å; S880-S883 PolarHBondContact O-OG 2.94Å; S880-S883 PolarHBondContact OG-N 3.2Å; S880-F886 WeakPolarHBondContact O-CB 3.27Å | ||
| 881 | P | 54.9 | Low | 60.8 | Low | 39 Ų | 39 | 33.7 Ų | 33.7 | 25% | 0.253 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -25.1 | 173 | -21.1 | 33.2 | 0 | 0 | 0 | 113.1 | V875 F886 L931 N933 | V875-P881 VanDerWaalsContact CG1-CD 3.48Å; V875-P881 HydrophobicContact CG1-CG 3.67Å; V875-P881 HydrophobicContact CG2-CG 4.37Å; P881-F886 HydrophobicContact CB-CD1 4.23Å; P881-F886 HydrophobicContact CB-CE1 4.28Å; P881-F886 WeakPolarHBondContact O-CD1 3.24Å; P881-L931 HydrophobicContact CB-CD2 4.3Å; P881-L931 HydrophobicContact CG-CD2 4.32Å; P881-N933 PolarHBondContact O-ND2 2.66Å |
| 882 | T | 54.7 | Low | 58.7 | Low | 97 Ų | 97 | 33.7 Ų | 33.7 | 60% | 0.595 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -5.9 | 176.1 | 54.8 | 0 | 0 | 0 | 0 | 113.2 | S880 N933 | S880-T882 PolarHBondContact O-N 3.17Å; S880-T882 PolarHBondContact OG-N 3.05Å; S880-T882 PolarHBondContact OG-OG1 3Å; T882-N933 HydrophobicContact CG2-CB 4.48Å |
| 883 | S | 54.9 | Low | 56.6 | Low | 12 Ų | 12 | 32 Ų | 32 | 8% | 0.084 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -66 | 144.2 | 179.1 | 70.1 | 0 | 0 | 0 | 0 | 109.3 | C878 S880 L885 F886 A887 | C878-S883 WeakPolarHBondContact O-CB 3.34Å; C878-S883 PolarHBondContact O-OG 2.77Å; S880-S883 VanDerWaalsContact O-CB 3.23Å; S880-S883 WeakPolarHBondContact O-CB 3.33Å; S880-S883 PolarHBondContact O-N 2.68Å; S880-S883 PolarHBondContact O-OG 2.94Å; S880-S883 PolarHBondContact OG-N 3.2Å; S883-L885 PolarHBondContact O-N 2.94Å; S883-F886 PolarHBondContact O-N 3.47Å; S883-F886 WeakPolarHBondContact OG-CB 3.5Å; S883-F886 PolarHBondContact OG-N 3.04Å; S883-A887 WeakPolarHBondContact O-CB 3.38Å; S883-A887 PolarHBondContact O-N 2.95Å |
| 884 | T | 53.7 | Low | 54.4 | Low | 19 Ų | 19 | 31 Ų | 31 | 12% | 0.117 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -56.3 | -34.1 | 169.6 | -24.2 | 0 | 0 | 0 | 0 | 110.9 | R160 D419 F886 A887 Y888 | R160-T884 PolarHBondContact NH1-OG1 3.21Å; D419-T884 HydrophobicContact CB-CG2 3.78Å; D419-T884 WeakPolarHBondContact OD2-CG2 3.2Å; T884-F886 VanDerWaalsContact C-N 3.33Å; T884-F886 PolarHBondContact O-N 2.89Å; T884-A887 PolarHBondContact O-N 3.12Å; T884-Y888 HydrophobicContact CG2-CD2 3.89Å; T884-Y888 HydrophobicContact CG2-CE1 4.17Å; T884-Y888 HydrophobicContact CG2-CE2 3.19Å; T884-Y888 WeakPolarHBondContact CG2-OH 3.42Å; T884-Y888 WeakPolarHBondContact O-CD2 3.47Å; T884-Y888 PolarHBondContact O-N 3.47Å |
| 885 | L | 52.6 | Low | 52.5 | Low | 32 Ų | 32 | 30.7 Ų | 30.7 | 17% | 0.168 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.2 | -38.4 | 176.4 | -172.2 | 56.5 | 0 | 0 | 0 | 112.4 | C878 S883 V889 F902 F903 | C878-L885 HydrophobicContact CB-CB 4.25Å; C878-L885 HydrophobicContact CB-CD2 4.4Å; C878-L885 HydrophobicContact CB-CG 4.05Å; C878-L885 WeakPolarHBondContact O-CB 3.25Å; S883-L885 PolarHBondContact O-N 2.94Å; L885-V889 VanDerWaalsContact O-CG2 3.29Å; L885-V889 WeakPolarHBondContact O-CG2 3.3Å; L885-F902 HydrophobicContact CD1-CD1 3.77Å; L885-F902 HydrophobicContact CD1-CE1 4.47Å; L885-F902 HydrophobicContact CG-CD1 4.37Å; L885-F903 VanDerWaalsContact C-CE1 3.44Å; L885-F903 HydrophobicContact CB-CE1 4.3Å; L885-F903 HydrophobicContact CB-CZ 4.49Å; L885-F903 HydrophobicContact CD1-CD1 4.27Å; L885-F903 HydrophobicContact CD1-CE1 3.4Å; L885-F903 HydrophobicContact CD1-CE2 3.86Å; L885-F903 HydrophobicContact CD1-CZ 3.14Å; L885-F903 HydrophobicContact CG-CE1 4.22Å; L885-F903 HydrophobicContact CG-CZ 4.3Å; L885-F903 WeakPolarHBondContact O-CD1 3.12Å; L885-F903 WeakPolarHBondContact O-CE1 3.46Å |
| 886 | F | 57.3 | Low | 50.6 | Low | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -81.6 | -37.6 | 173.4 | -172.3 | -99.2 | 0 | 0 | 0 | 111.8 | I874 V875 C878 S880 P881 S883 T884 Y888 V889 V890 L931 L936 | I874-F886 HydrophobicContact CG2-CE2 4.38Å; V875-F886 HydrophobicContact CG2-CD2 3.82Å; V875-F886 HydrophobicContact CG2-CE2 3.39Å; V875-F886 HydrophobicContact CG2-CZ 3.88Å; C878-F886 HydrophobicContact CB-CB 3.7Å; C878-F886 HydrophobicContact CB-CD2 4.2Å; C878-F886 HydrophobicContact CB-CG 4.45Å; S880-F886 WeakPolarHBondContact O-CB 3.27Å; P881-F886 HydrophobicContact CB-CD1 4.23Å; P881-F886 HydrophobicContact CB-CE1 4.28Å; P881-F886 WeakPolarHBondContact O-CD1 3.24Å; S883-F886 PolarHBondContact O-N 3.47Å; S883-F886 WeakPolarHBondContact OG-CB 3.5Å; S883-F886 PolarHBondContact OG-N 3.04Å; T884-F886 VanDerWaalsContact C-N 3.33Å; T884-F886 PolarHBondContact O-N 2.89Å; F886-Y888 VanDerWaalsContact C-N 3.28Å; F886-Y888 PolarHBondContact O-N 3.39Å; F886-V889 WeakPolarHBondContact O-CA 3.36Å; F886-V889 WeakPolarHBondContact O-CB 3.41Å; F886-V889 PolarHBondContact O-N 3.12Å; F886-V890 HydrophobicContact CD1-CG2 4.47Å; F886-V890 HydrophobicContact CE1-CG2 4.08Å; F886-V890 HydrophobicContact CZ-CG2 4.3Å; F886-L931 HydrophobicContact CE1-CB 4.2Å; F886-L931 HydrophobicContact CE1-CD2 4.19Å; F886-L931 HydrophobicContact CZ-CB 4.35Å; F886-L931 HydrophobicContact CZ-CD1 4.26Å; F886-L931 HydrophobicContact CZ-CD2 3.83Å; F886-L931 HydrophobicContact CZ-CG 4.35Å; F886-L936 HydrophobicContact CD1-CD1 3.61Å; F886-L936 HydrophobicContact CE1-CD1 3.59Å |
| 887 | A | 53.1 | Low | 48.8 | Very low | 8 Ų | 8 | 24.4 Ų | 24.4 | 7% | 0.066 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -55.5 | -45.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | S883 T884 V889 A935 L936 | S883-A887 WeakPolarHBondContact O-CB 3.38Å; S883-A887 PolarHBondContact O-N 2.95Å; T884-A887 PolarHBondContact O-N 3.12Å; A887-V889 VanDerWaalsContact C-N 3.35Å; A887-V889 PolarHBondContact O-N 3.14Å; A887-A935 HydrophobicContact CB-CB 4.07Å; A887-L936 HydrophobicContact CB-CD2 4.12Å; A887-L936 HydrophobicContact CB-CG 4.31Å; A887-L936 WeakPolarHBondContact O-CD2 3.27Å |
| 888 | Y | 50.7 | Low | 47.2 | Very low | 20 Ų | 20 | 21.8 Ų | 21.8 | 8% | 0.078 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -72.3 | -22.6 | 176.2 | -29.5 | -92.9 | 0 | 0 | 0 | 112.7 | D419 T884 F886 V890 K891 Y900 F903 | D419-Y888 HydrophobicContact CB-CE1 3.76Å; D419-Y888 PolarHBondContact OD1-OH 3.49Å; T884-Y888 HydrophobicContact CG2-CD2 3.89Å; T884-Y888 HydrophobicContact CG2-CE1 4.17Å; T884-Y888 HydrophobicContact CG2-CE2 3.19Å; T884-Y888 WeakPolarHBondContact CG2-OH 3.42Å; T884-Y888 WeakPolarHBondContact O-CD2 3.47Å; T884-Y888 PolarHBondContact O-N 3.47Å; F886-Y888 VanDerWaalsContact C-N 3.28Å; F886-Y888 PolarHBondContact O-N 3.39Å; Y888-V890 PolarHBondContact O-N 3.46Å; Y888-V890 VanDerWaalsContact O-N 3.11Å; Y888-K891 HydrophobicContact CD1-CD 4.4Å; Y888-K891 WeakPolarHBondContact O-CA 3.14Å; Y888-K891 WeakPolarHBondContact O-CB 3.45Å; Y888-K891 PolarHBondContact O-N 2.94Å; Y888-Y900 HydrophobicContact CD1-CD2 4.05Å; Y888-Y900 HydrophobicContact CD2-CD1 4.23Å; Y888-Y900 AromaticContact CD2-CD2 3.65Å; Y888-Y900 HydrophobicContact CD2-CD2 3.65Å; Y888-Y900 HydrophobicContact CD2-CE2 4.26Å; Y888-Y900 AromaticContact CD2-CG 3.67Å; Y888-Y900 HydrophobicContact CD2-CG 3.67Å; Y888-Y900 AromaticContact CE1-CD2 3.61Å; Y888-Y900 HydrophobicContact CE1-CD2 3.61Å; Y888-Y900 HydrophobicContact CE1-CE2 4.03Å; Y888-Y900 AromaticContact CE2-CD1 3.99Å; Y888-Y900 HydrophobicContact CE2-CD1 3.99Å; Y888-Y900 AromaticContact CE2-CD2 3.12Å; Y888-Y900 HydrophobicContact CE2-CD2 3.12Å; Y888-Y900 HydrophobicContact CE2-CE1 4.08Å; Y888-Y900 AromaticContact CE2-CE2 3.31Å; Y888-Y900 HydrophobicContact CE2-CE2 3.31Å; Y888-Y900 AromaticContact CE2-CG 3.54Å; Y888-Y900 HydrophobicContact CE2-CG 3.54Å; Y888-Y900 AromaticContact CE2-CZ 3.78Å; Y888-Y900 HydrophobicContact CG-CD2 4.1Å; Y888-Y900 HydrophobicContact CG-CG 4.23Å; Y888-Y900 AromaticContact CZ-CD2 3.12Å; Y888-Y900 AromaticContact CZ-CE2 3.18Å; Y888-Y900 WeakPolarHBondContact OH-CD2 3.47Å; Y888-Y900 WeakPolarHBondContact OH-CE2 3.3Å; Y888-F903 CarbonylContact C-O 3.49Å; Y888-F903 VanDerWaalsContact CB-CB 3.47Å; Y888-F903 VanDerWaalsContact CB-CE1 3.46Å; Y888-F903 VanDerWaalsContact CB-CG 3.42Å; Y888-F903 HydrophobicContact CD2-CD1 4.01Å; Y888-F903 AromaticContact CD2-CE1 3.31Å; Y888-F903 HydrophobicContact CD2-CE1 3.31Å; Y888-F903 HydrophobicContact CD2-CE2 4.43Å; Y888-F903 HydrophobicContact CD2-CG 4.46Å; Y888-F903 AromaticContact CD2-CZ 3.55Å; Y888-F903 HydrophobicContact CD2-CZ 3.55Å; Y888-F903 HydrophobicContact CE2-CE1 4.41Å; Y888-F903 HydrophobicContact CE2-CZ 4.31Å; Y888-F903 HydrophobicContact CG-CD1 4.08Å; Y888-F903 AromaticContact CG-CE1 3.84Å; Y888-F903 HydrophobicContact CG-CE1 3.84Å; Y888-F903 HydrophobicContact CG-CG 4.37Å; Y888-F903 HydrophobicContact CG-CZ 4.35Å; Y888-F903 CarbonylContact O-C 3.59Å; Y888-F903 WeakPolarHBondContact O-CA 3.32Å; Y888-F903 WeakPolarHBondContact O-CB 3.48Å |
| 889 | V | 50.4 | Low | 46.1 | Very low | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.024 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61 | -24.2 | 178.7 | 166.4 | 0 | 0 | 0 | 0 | 112 | F867 I874 L885 F886 A887 F902 F903 F906 | F867-V889 HydrophobicContact CE2-CG1 4.41Å; I874-V889 HydrophobicContact CG2-CG1 4.28Å; L885-V889 VanDerWaalsContact O-CG2 3.29Å; L885-V889 WeakPolarHBondContact O-CG2 3.3Å; F886-V889 WeakPolarHBondContact O-CA 3.36Å; F886-V889 WeakPolarHBondContact O-CB 3.41Å; F886-V889 PolarHBondContact O-N 3.12Å; A887-V889 VanDerWaalsContact C-N 3.35Å; A887-V889 PolarHBondContact O-N 3.14Å; V889-F902 HydrophobicContact CG2-CD1 3.49Å; V889-F902 VanDerWaalsContact CG2-CD1 3.49Å; V889-F902 HydrophobicContact CG2-CE1 3.49Å; V889-F902 VanDerWaalsContact CG2-CE1 3.49Å; V889-F902 HydrophobicContact CG2-CG 4.37Å; V889-F902 HydrophobicContact CG2-CZ 4.32Å; V889-F903 CarbonylContact C-O 3.55Å; V889-F903 VanDerWaalsContact CA-CA 3.49Å; V889-F903 WeakPolarHBondContact CA-O 3.26Å; V889-F903 HydrophobicContact CG2-CD1 3.89Å; V889-F903 VanDerWaalsContact N-CD1 3.32Å; V889-F906 VanDerWaalsContact O-CB 3.25Å; V889-F906 WeakPolarHBondContact O-CB 3.43Å; V889-F906 PolarHBondContact O-N 3.19Å |
| 890 | V | 49.3 | Very low | 44.9 | Very low | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 5.6 | 179.3 | -170.1 | 0 | 0 | 0 | 0 | 111.4 | F886 Y888 F906 Q907 F926 L936 P939 | F886-V890 HydrophobicContact CD1-CG2 4.47Å; F886-V890 HydrophobicContact CE1-CG2 4.08Å; F886-V890 HydrophobicContact CZ-CG2 4.3Å; Y888-V890 PolarHBondContact O-N 3.46Å; Y888-V890 VanDerWaalsContact O-N 3.11Å; V890-F906 HydrophobicContact CB-CD1 3.95Å; V890-F906 HydrophobicContact CG1-CD1 3.36Å; V890-F906 HydrophobicContact CG1-CE1 3.55Å; V890-F906 HydrophobicContact CG1-CG 4.28Å; V890-F906 HydrophobicContact CG2-CD1 4.37Å; V890-Q907 WeakPolarHBondContact O-CG 3.47Å; V890-Q907 PolarHBondContact O-NE2 3.12Å; V890-F926 HydrophobicContact CG1-CE1 3.84Å; V890-F926 HydrophobicContact CG1-CZ 4.22Å; V890-F926 HydrophobicContact CG2-CE1 4.16Å; V890-F926 HydrophobicContact CG2-CZ 4.45Å; V890-L936 HydrophobicContact CB-CD2 3.33Å; V890-L936 HydrophobicContact CG1-CD2 3.76Å; V890-L936 HydrophobicContact CG2-CD1 4.15Å; V890-L936 HydrophobicContact CG2-CD2 3.65Å; V890-P939 WeakPolarHBondContact O-CB 3.42Å |
| 891 | K | 44.2 | Very low | 43.9 | Very low | 19 Ų | 19 | 23.7 Ų | 23.7 | 8% | 0.083 | 14% | 0.143 | C | C | . | . | trans | -115 | 129.2 | -176.6 | -164.3 | -174.2 | -172.2 | -172.1 | 0 | 112.2 | D419 S420 Y422 Y888 P939 | D419-K891 PolarHBondContact O-NZ 2.85Å; S420-K891 VanDerWaalsContact C-NZ 3.28Å; S420-K891 VanDerWaalsContact O-CE 3.3Å; S420-K891 WeakPolarHBondContact O-CE 3.49Å; S420-K891 PolarHBondContact O-NZ 3.46Å; Y422-K891 PolarHBondContact O-NZ 3.36Å; Y888-K891 HydrophobicContact CD1-CD 4.4Å; Y888-K891 WeakPolarHBondContact O-CA 3.14Å; Y888-K891 WeakPolarHBondContact O-CB 3.45Å; Y888-K891 PolarHBondContact O-N 2.94Å; K891-P939 HydrophobicContact CB-CB 4.39Å; K891-P939 HydrophobicContact CB-CG 4.43Å; K891-P939 HydrophobicContact CG-CB 4.35Å; K891-P939 HydrophobicContact CG-CG 4.1Å | ||
| 892 | V | 38.6 | Very low | 42.7 | Very low | 10 Ų | 10 | 22.7 Ų | 22.7 | 6% | 0.061 | 14% | 0.135 | C | C | . | . | trans | -111.3 | 100.9 | 156 | 174.6 | 0 | 0 | 0 | 0 | 106.8 | L904 Q907 L908 | V892-L904 HydrophobicContact CB-CD1 4.09Å; V892-L904 HydrophobicContact CG1-CD1 3.89Å; V892-L904 HydrophobicContact CG2-CD1 3.54Å; V892-L904 HydrophobicContact CG2-CG 3.93Å; V892-Q907 VanDerWaalsContact CA-OE1 3.27Å; V892-Q907 HydrophobicContact CB-CB 4.02Å; V892-Q907 HydrophobicContact CB-CG 4.4Å; V892-Q907 HydrophobicContact CG2-CB 3.46Å; V892-Q907 VanDerWaalsContact CG2-CB 3.46Å; V892-Q907 HydrophobicContact CG2-CG 4.23Å; V892-Q907 PolarHBondContact O-OE1 3.27Å; V892-L908 HydrophobicContact CG2-CG 4.24Å | ||
| 893 | A | 36.1 | Very low | 42.2 | Very low | 15 Ų | 15 | 18.4 Ų | 18.4 | 12% | 0.124 | 11% | 0.108 | C | C | . | . | trans | -150 | 89.2 | 146.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | D423 L424 V895 | D423-A893 VanDerWaalsContact CA-CB 3.43Å; D423-A893 HydrophobicContact CB-CB 3.24Å; L424-A893 HydrophobicContact CG-CB 4.44Å; A893-V895 HydrophobicContact CB-CG2 4.05Å; A893-V895 PolarHBondContact O-N 3.28Å | ||
| 894 | S | 33 | Very low | 41.8 | Very low | 21 Ų | 21 | 18.5 Ų | 18.5 | 15% | 0.147 | 11% | 0.107 | C | C | . | . | trans | -73.6 | 78.8 | -180 | 33.5 | 0 | 0 | 0 | 0 | 109.7 | C773 H774 A775 | C773-S894 VanDerWaalsContact CB-O 3.31Å; C773-S894 WeakPolarHBondContact CB-O 3.36Å; C773-S894 WeakPolarHBondContact O-CB 3.38Å; C773-S894 PolarHBondContact O-OG 3.36Å; H774-S894 WeakPolarHBondContact CA-OG 3.47Å; H774-S894 PolarHBondContact N-OG 2.92Å; A775-S894 PolarHBondContact N-OG 3.18Å | ||
| 895 | V | 35 | Very low | 41.5 | Very low | 5 Ų | 5 | 17.8 Ų | 17.8 | 3% | 0.03 | 10% | 0.104 | C | C | . | . | trans | -143.9 | 87.3 | -176.3 | -131.1 | 0 | 0 | 0 | 0 | 107 | L424 Y427 C773 A893 | L424-V895 HydrophobicContact CB-CG2 4.17Å; L424-V895 HydrophobicContact CD2-CB 4.29Å; L424-V895 HydrophobicContact CD2-CG1 4.01Å; L424-V895 HydrophobicContact CD2-CG2 3.23Å; L424-V895 HydrophobicContact CG-CG2 3.5Å; L424-V895 VanDerWaalsContact N-CG2 3.35Å; Y427-V895 HydrophobicContact CD1-CB 4.41Å; Y427-V895 HydrophobicContact CD1-CG1 4.04Å; Y427-V895 HydrophobicContact CD2-CB 3.77Å; Y427-V895 HydrophobicContact CD2-CG1 4.06Å; Y427-V895 WeakPolarHBondContact CD2-O 3.3Å; Y427-V895 HydrophobicContact CE2-CB 4.39Å; Y427-V895 WeakPolarHBondContact CE2-O 3.44Å; Y427-V895 HydrophobicContact CG-CB 3.79Å; Y427-V895 HydrophobicContact CG-CG1 3.54Å; C773-V895 HydrophobicContact CB-CG2 4.5Å; A893-V895 HydrophobicContact CB-CG2 4.05Å; A893-V895 PolarHBondContact O-N 3.28Å | ||
| 896 | G | 32.4 | Very low | 41.6 | Very low | 26 Ų | 26 | 16.3 Ų | 16.3 | 27% | 0.268 | 10% | 0.096 | S | C | . | . | trans | 166.5 | 113.8 | -171 | 0 | 0 | 0 | 0 | 0 | 102.6 | F898 | G896-F898 CarbonylContact C-O 3.53Å; G896-F898 WeakPolarHBondContact CA-O 3.49Å | ||
| 897 | V | 31.8 | Very low | 41.5 | Very low | 20 Ų | 20 | 16.8 Ų | 16.8 | 12% | 0.121 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -65.6 | -31.4 | 171.4 | 169.1 | 0 | 0 | 0 | 0 | 109.5 | V338 H341 E342 | V338-V897 HydrophobicContact CB-CG1 3.62Å; V338-V897 HydrophobicContact CG1-CG1 3.1Å; V338-V897 HydrophobicContact CG2-CB 4.25Å; V338-V897 HydrophobicContact CG2-CG1 3.4Å; V338-V897 HydrophobicContact CG2-CG2 3.91Å; H341-V897 HydrophobicContact CB-CG2 4.22Å; E342-V897 WeakPolarHBondContact OE1-CB 2.99Å; E342-V897 WeakPolarHBondContact OE1-CG1 3.48Å |
| 898 | F | 31.5 | Very low | 41.8 | Very low | 22 Ų | 22 | 16.5 Ų | 16.5 | 10% | 0.096 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -92.5 | 166.8 | 158.6 | -57.4 | -50.8 | 0 | 0 | 0 | 111 | E308 I313 T314 Y315 E342 G896 | E308-F898 WeakPolarHBondContact OE2-CD2 3.32Å; E308-F898 WeakPolarHBondContact OE2-CE2 3.28Å; I313-F898 HydrophobicContact CG2-CE2 4.02Å; I313-F898 HydrophobicContact CG2-CZ 3.67Å; T314-F898 WeakPolarHBondContact O-CD1 3.33Å; T314-F898 WeakPolarHBondContact O-CE1 3.25Å; T314-F898 WeakPolarHBondContact O-CZ 3.44Å; Y315-F898 HydrophobicContact CD1-CE1 4.02Å; Y315-F898 AromaticContact CD1-CZ 3.99Å; Y315-F898 HydrophobicContact CD1-CZ 3.99Å; Y315-F898 HydrophobicContact CE1-CZ 4.08Å; Y315-F898 HydrophobicContact CG-CE1 4.26Å; Y315-F898 HydrophobicContact CG-CZ 4.29Å; E342-F898 VanDerWaalsContact CD-CZ 3.47Å; E342-F898 HydrophobicContact CG-CE2 3.52Å; E342-F898 HydrophobicContact CG-CZ 3.58Å; E342-F898 WeakPolarHBondContact OE1-CE2 3.46Å; E342-F898 WeakPolarHBondContact OE2-CE2 3.41Å; G896-F898 CarbonylContact C-O 3.53Å; G896-F898 WeakPolarHBondContact CA-O 3.49Å |
| 899 | S | 33.8 | Very low | 42.4 | Very low | 56 Ų | 56 | 15.6 Ų | 15.6 | 39% | 0.392 | 9% | 0.092 | S | C | . | . | S | Bend | trans | 83 | 95.9 | 169 | -65 | 0 | 0 | 0 | 0 | 116.2 | ||
| 900 | Y | 36.3 | Very low | 43.5 | Very low | 38 Ų | 38 | 15.4 Ų | 15.4 | 15% | 0.149 | 9% | 0.091 | C | C | . | . | trans | 80.1 | 84.1 | 137.8 | -49.5 | -47.9 | 0 | 0 | 0 | 118.1 | Y888 F903 | Y888-Y900 HydrophobicContact CD1-CD2 4.05Å; Y888-Y900 HydrophobicContact CD2-CD1 4.23Å; Y888-Y900 AromaticContact CD2-CD2 3.65Å; Y888-Y900 HydrophobicContact CD2-CD2 3.65Å; Y888-Y900 HydrophobicContact CD2-CE2 4.26Å; Y888-Y900 AromaticContact CD2-CG 3.67Å; Y888-Y900 HydrophobicContact CD2-CG 3.67Å; Y888-Y900 AromaticContact CE1-CD2 3.61Å; Y888-Y900 HydrophobicContact CE1-CD2 3.61Å; Y888-Y900 HydrophobicContact CE1-CE2 4.03Å; Y888-Y900 AromaticContact CE2-CD1 3.99Å; Y888-Y900 HydrophobicContact CE2-CD1 3.99Å; Y888-Y900 AromaticContact CE2-CD2 3.12Å; Y888-Y900 HydrophobicContact CE2-CD2 3.12Å; Y888-Y900 HydrophobicContact CE2-CE1 4.08Å; Y888-Y900 AromaticContact CE2-CE2 3.31Å; Y888-Y900 HydrophobicContact CE2-CE2 3.31Å; Y888-Y900 AromaticContact CE2-CG 3.54Å; Y888-Y900 HydrophobicContact CE2-CG 3.54Å; Y888-Y900 AromaticContact CE2-CZ 3.78Å; Y888-Y900 HydrophobicContact CG-CD2 4.1Å; Y888-Y900 HydrophobicContact CG-CG 4.23Å; Y888-Y900 AromaticContact CZ-CD2 3.12Å; Y888-Y900 AromaticContact CZ-CE2 3.18Å; Y888-Y900 WeakPolarHBondContact OH-CD2 3.47Å; Y888-Y900 WeakPolarHBondContact OH-CE2 3.3Å; Y900-F903 VanDerWaalsContact CA-CE2 3.48Å; Y900-F903 HydrophobicContact CD1-CD2 4.23Å; Y900-F903 AromaticContact CD1-CE2 3.36Å; Y900-F903 HydrophobicContact CD1-CE2 3.36Å; Y900-F903 AromaticContact CD1-CZ 3.53Å; Y900-F903 HydrophobicContact CD1-CZ 3.53Å; Y900-F903 HydrophobicContact CE1-CZ 4.44Å; Y900-F903 HydrophobicContact CG-CD2 4.05Å; Y900-F903 AromaticContact CG-CE2 3.6Å; Y900-F903 HydrophobicContact CG-CE2 3.6Å; Y900-F903 AromaticContact CG-CZ 3.82Å; Y900-F903 HydrophobicContact CG-CZ 3.82Å | ||
| 901 | K | 36.6 | Very low | 44.5 | Very low | 35 Ų | 35 | 17.5 Ų | 17.5 | 15% | 0.152 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -86.9 | -35.8 | 171.1 | -95.4 | -160.8 | -169.4 | -173.2 | 0 | 116.1 | L847 Y848 F903 | L847-K901 HydrophobicContact CD2-CB 3.54Å; L847-K901 HydrophobicContact CD2-CG 4.43Å; L847-K901 WeakPolarHBondContact CD2-O 3.48Å; Y848-K901 HydrophobicContact CE1-CD 4.3Å; Y848-K901 WeakPolarHBondContact OH-CD 3.47Å; Y848-K901 PolarHBondContact OH-NZ 3.42Å; K901-F903 PolarHBondContact O-N 2.94Å |
| 902 | F | 31 | Very low | 45.8 | Very low | 17 Ų | 17 | 18.5 Ų | 18.5 | 8% | 0.075 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50 | -7.9 | 177.6 | -174.2 | -122.4 | 0 | 0 | 0 | 115.7 | L843 I846 C878 L885 V889 | L843-F902 VanDerWaalsContact C-CD2 3.45Å; L843-F902 VanDerWaalsContact C-CE2 3.44Å; L843-F902 HydrophobicContact CB-CE2 4.44Å; L843-F902 HydrophobicContact CD1-CE1 4.19Å; L843-F902 HydrophobicContact CD1-CE2 3.5Å; L843-F902 HydrophobicContact CD1-CZ 3.24Å; L843-F902 HydrophobicContact CD2-CE1 4.31Å; L843-F902 HydrophobicContact CD2-CZ 4.13Å; L843-F902 HydrophobicContact CG-CD2 4.19Å; L843-F902 HydrophobicContact CG-CE1 4.03Å; L843-F902 HydrophobicContact CG-CE2 3.52Å; L843-F902 HydrophobicContact CG-CZ 3.42Å; L843-F902 VanDerWaalsContact CG-CZ 3.42Å; L843-F902 WeakPolarHBondContact O-CD2 3.35Å; L843-F902 WeakPolarHBondContact O-CE2 3.47Å; I846-F902 HydrophobicContact CB-CE2 4.32Å; C878-F902 VanDerWaalsContact SG-CE1 3.59Å; L885-F902 HydrophobicContact CD1-CD1 3.77Å; L885-F902 HydrophobicContact CD1-CE1 4.47Å; L885-F902 HydrophobicContact CG-CD1 4.37Å; V889-F902 HydrophobicContact CG2-CD1 3.49Å; V889-F902 VanDerWaalsContact CG2-CD1 3.49Å; V889-F902 HydrophobicContact CG2-CE1 3.49Å; V889-F902 VanDerWaalsContact CG2-CE1 3.49Å; V889-F902 HydrophobicContact CG2-CG 4.37Å; V889-F902 HydrophobicContact CG2-CZ 4.32Å |
| 903 | F | 43.4 | Very low | 48 | Very low | 7 Ų | 7 | 18.3 Ų | 18.3 | 3% | 0.031 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -17.2 | -146 | -68 | -70.5 | 0 | 0 | 0 | 111.5 | L885 Y888 V889 Y900 K901 A905 | L885-F903 VanDerWaalsContact C-CE1 3.44Å; L885-F903 HydrophobicContact CB-CE1 4.3Å; L885-F903 HydrophobicContact CB-CZ 4.49Å; L885-F903 HydrophobicContact CD1-CD1 4.27Å; L885-F903 HydrophobicContact CD1-CE1 3.4Å; L885-F903 HydrophobicContact CD1-CE2 3.86Å; L885-F903 HydrophobicContact CD1-CZ 3.14Å; L885-F903 HydrophobicContact CG-CE1 4.22Å; L885-F903 HydrophobicContact CG-CZ 4.3Å; L885-F903 WeakPolarHBondContact O-CD1 3.12Å; L885-F903 WeakPolarHBondContact O-CE1 3.46Å; Y888-F903 CarbonylContact C-O 3.49Å; Y888-F903 VanDerWaalsContact CB-CB 3.47Å; Y888-F903 VanDerWaalsContact CB-CE1 3.46Å; Y888-F903 VanDerWaalsContact CB-CG 3.42Å; Y888-F903 HydrophobicContact CD2-CD1 4.01Å; Y888-F903 AromaticContact CD2-CE1 3.31Å; Y888-F903 HydrophobicContact CD2-CE1 3.31Å; Y888-F903 HydrophobicContact CD2-CE2 4.43Å; Y888-F903 HydrophobicContact CD2-CG 4.46Å; Y888-F903 AromaticContact CD2-CZ 3.55Å; Y888-F903 HydrophobicContact CD2-CZ 3.55Å; Y888-F903 HydrophobicContact CE2-CE1 4.41Å; Y888-F903 HydrophobicContact CE2-CZ 4.31Å; Y888-F903 HydrophobicContact CG-CD1 4.08Å; Y888-F903 AromaticContact CG-CE1 3.84Å; Y888-F903 HydrophobicContact CG-CE1 3.84Å; Y888-F903 HydrophobicContact CG-CG 4.37Å; Y888-F903 HydrophobicContact CG-CZ 4.35Å; Y888-F903 CarbonylContact O-C 3.59Å; Y888-F903 WeakPolarHBondContact O-CA 3.32Å; Y888-F903 WeakPolarHBondContact O-CB 3.48Å; V889-F903 CarbonylContact C-O 3.55Å; V889-F903 VanDerWaalsContact CA-CA 3.49Å; V889-F903 WeakPolarHBondContact CA-O 3.26Å; V889-F903 HydrophobicContact CG2-CD1 3.89Å; V889-F903 VanDerWaalsContact N-CD1 3.32Å; Y900-F903 VanDerWaalsContact CA-CE2 3.48Å; Y900-F903 HydrophobicContact CD1-CD2 4.23Å; Y900-F903 AromaticContact CD1-CE2 3.36Å; Y900-F903 HydrophobicContact CD1-CE2 3.36Å; Y900-F903 AromaticContact CD1-CZ 3.53Å; Y900-F903 HydrophobicContact CD1-CZ 3.53Å; Y900-F903 HydrophobicContact CE1-CZ 4.44Å; Y900-F903 HydrophobicContact CG-CD2 4.05Å; Y900-F903 AromaticContact CG-CE2 3.6Å; Y900-F903 HydrophobicContact CG-CE2 3.6Å; Y900-F903 AromaticContact CG-CZ 3.82Å; Y900-F903 HydrophobicContact CG-CZ 3.82Å; K901-F903 PolarHBondContact O-N 2.94Å; F903-A905 VanDerWaalsContact C-N 3.27Å; F903-A905 PolarHBondContact O-N 3.43Å |
| 904 | L | 47.8 | Very low | 50.4 | Low | 14 Ų | 14 | 18 Ų | 18 | 7% | 0.073 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -70.1 | -18.7 | -177.6 | -147.4 | 68.8 | 0 | 0 | 0 | 114.3 | L776 V892 L908 | L776-L904 HydrophobicContact CD1-CD2 4.49Å; L776-L904 HydrophobicContact CD2-CD2 4.3Å; L776-L904 HydrophobicContact CG-CD2 4.21Å; V892-L904 HydrophobicContact CB-CD1 4.09Å; V892-L904 HydrophobicContact CG1-CD1 3.89Å; V892-L904 HydrophobicContact CG2-CD1 3.54Å; V892-L904 HydrophobicContact CG2-CG 3.93Å; L904-L908 HydrophobicContact CB-CD1 3.9Å; L904-L908 HydrophobicContact CD2-CD1 3.53Å; L904-L908 HydrophobicContact CD2-CG 4.31Å; L904-L908 HydrophobicContact CG-CD1 3.46Å; L904-L908 VanDerWaalsContact CG-CD1 3.46Å; L904-L908 HydrophobicContact CG-CG 3.86Å; L904-L908 VanDerWaalsContact O-CB 3.29Å; L904-L908 WeakPolarHBondContact O-CB 3.48Å; L904-L908 WeakPolarHBondContact O-CD1 3.34Å; L904-L908 WeakPolarHBondContact O-CG 3.42Å; L904-L908 PolarHBondContact O-N 3.39Å |
| 905 | A | 47 | Very low | 53.1 | Low | 5 Ų | 5 | 19.4 Ų | 19.4 | 4% | 0.041 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.8 | -52.9 | -161.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | F850 F903 L908 V909 | F850-A905 HydrophobicContact CB-CB 3.97Å; F850-A905 HydrophobicContact CD1-CB 4.42Å; F850-A905 HydrophobicContact CD2-CB 3.39Å; F850-A905 HydrophobicContact CE2-CB 3.86Å; F850-A905 HydrophobicContact CG-CB 3.69Å; F903-A905 VanDerWaalsContact C-N 3.27Å; F903-A905 PolarHBondContact O-N 3.43Å; A905-L908 WeakPolarHBondContact O-CB 3.4Å; A905-L908 PolarHBondContact O-N 3.33Å; A905-V909 WeakPolarHBondContact O-CB 3.39Å; A905-V909 WeakPolarHBondContact O-CG2 3.2Å; A905-V909 PolarHBondContact O-N 2.86Å |
| 906 | F | 54.3 | Low | 55.8 | Low | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -71.9 | -45.1 | -170.6 | 166.2 | -90.2 | 0 | 0 | 0 | 113.1 | W864 F867 V889 V890 L908 V909 V910 I922 F926 L940 | W864-F906 HydrophobicContact CE3-CE2 4.37Å; W864-F906 HydrophobicContact CH2-CE2 4.36Å; W864-F906 HydrophobicContact CZ3-CD2 4.19Å; W864-F906 AromaticContact CZ3-CE2 3.64Å; W864-F906 HydrophobicContact CZ3-CE2 3.64Å; F867-F906 HydrophobicContact CD1-CD2 4.01Å; F867-F906 HydrophobicContact CD1-CE2 4.44Å; F867-F906 HydrophobicContact CD2-CB 4.45Å; F867-F906 HydrophobicContact CD2-CD2 4.34Å; F867-F906 AromaticContact CE1-CD2 3.67Å; F867-F906 HydrophobicContact CE1-CD2 3.67Å; F867-F906 HydrophobicContact CE1-CE2 4.09Å; F867-F906 HydrophobicContact CE2-CB 3.98Å; F867-F906 HydrophobicContact CE2-CD2 4.05Å; F867-F906 HydrophobicContact CE2-CG 4.39Å; F867-F906 HydrophobicContact CG-CD2 4.31Å; F867-F906 HydrophobicContact CZ-CB 4.27Å; F867-F906 AromaticContact CZ-CD2 3.71Å; F867-F906 HydrophobicContact CZ-CD2 3.71Å; F867-F906 HydrophobicContact CZ-CE2 4.47Å; F867-F906 HydrophobicContact CZ-CG 4.23Å; V889-F906 VanDerWaalsContact O-CB 3.25Å; V889-F906 WeakPolarHBondContact O-CB 3.43Å; V889-F906 PolarHBondContact O-N 3.19Å; V890-F906 HydrophobicContact CB-CD1 3.95Å; V890-F906 HydrophobicContact CG1-CD1 3.36Å; V890-F906 HydrophobicContact CG1-CE1 3.55Å; V890-F906 HydrophobicContact CG1-CG 4.28Å; V890-F906 HydrophobicContact CG2-CD1 4.37Å; F906-L908 VanDerWaalsContact C-N 3.26Å; F906-L908 PolarHBondContact O-N 3.15Å; F906-V909 WeakPolarHBondContact O-CA 3.49Å; F906-V909 WeakPolarHBondContact O-CB 3.35Å; F906-V909 PolarHBondContact O-N 2.86Å; F906-V910 HydrophobicContact CD1-CG2 4.32Å; F906-V910 HydrophobicContact CD2-CG2 3.84Å; F906-V910 HydrophobicContact CE1-CB 4.47Å; F906-V910 HydrophobicContact CE1-CG2 3.85Å; F906-V910 HydrophobicContact CE2-CG2 3.23Å; F906-V910 HydrophobicContact CG-CG2 4.35Å; F906-V910 HydrophobicContact CZ-CB 4.29Å; F906-V910 HydrophobicContact CZ-CG2 3.29Å; F906-V910 WeakPolarHBondContact O-CG2 3.48Å; F906-V910 PolarHBondContact O-N 3.35Å; F906-I922 HydrophobicContact CE2-CG2 4.14Å; F906-I922 HydrophobicContact CZ-CG2 3.73Å; F906-F926 HydrophobicContact CD1-CZ 4.04Å; F906-F926 AromaticContact CD2-CE2 3.91Å; F906-F926 HydrophobicContact CD2-CE2 3.91Å; F906-F926 AromaticContact CD2-CZ 3.71Å; F906-F926 HydrophobicContact CD2-CZ 3.71Å; F906-F926 HydrophobicContact CE1-CE1 4.24Å; F906-F926 HydrophobicContact CE1-CE2 4Å; F906-F926 AromaticContact CE1-CZ 3.58Å; F906-F926 HydrophobicContact CE1-CZ 3.58Å; F906-F926 HydrophobicContact CE2-CD2 4.22Å; F906-F926 AromaticContact CE2-CE2 3.07Å; F906-F926 HydrophobicContact CE2-CE2 3.07Å; F906-F926 AromaticContact CE2-CZ 3.25Å; F906-F926 HydrophobicContact CE2-CZ 3.25Å; F906-F926 HydrophobicContact CG-CZ 4.06Å; F906-F926 AromaticContact CZ-CD2 3.98Å; F906-F926 HydrophobicContact CZ-CD2 3.98Å; F906-F926 HydrophobicContact CZ-CE1 4.1Å; F906-F926 AromaticContact CZ-CE2 3.08Å; F906-F926 HydrophobicContact CZ-CE2 3.08Å; F906-F926 AromaticContact CZ-CZ 3.13Å; F906-F926 HydrophobicContact CZ-CZ 3.13Å; F906-L940 HydrophobicContact CE1-CD1 3.6Å; F906-L940 HydrophobicContact CZ-CD1 3.56Å |
| 907 | Q | 54.8 | Low | 58.7 | Low | 11 Ų | 11 | 24.6 Ų | 24.6 | 5% | 0.051 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.5 | -36.6 | 176.2 | -66.3 | -152 | -21.2 | 0 | 0 | 111.5 | V890 V892 V909 V910 R911 P939 S943 | V890-Q907 WeakPolarHBondContact O-CG 3.47Å; V890-Q907 PolarHBondContact O-NE2 3.12Å; V892-Q907 VanDerWaalsContact CA-OE1 3.27Å; V892-Q907 HydrophobicContact CB-CB 4.02Å; V892-Q907 HydrophobicContact CB-CG 4.4Å; V892-Q907 HydrophobicContact CG2-CB 3.46Å; V892-Q907 VanDerWaalsContact CG2-CB 3.46Å; V892-Q907 HydrophobicContact CG2-CG 4.23Å; V892-Q907 PolarHBondContact O-OE1 3.27Å; Q907-V909 VanDerWaalsContact C-N 3.28Å; Q907-V909 PolarHBondContact O-N 2.81Å; Q907-V910 PolarHBondContact O-N 3.05Å; Q907-R911 WeakPolarHBondContact O-CB 3.34Å; Q907-R911 VanDerWaalsContact O-CD 3.29Å; Q907-R911 WeakPolarHBondContact O-CD 3.37Å; Q907-R911 WeakPolarHBondContact O-CG 3.27Å; Q907-R911 PolarHBondContact O-N 3.12Å; Q907-P939 VanDerWaalsContact NE2-C 3.29Å; Q907-P939 VanDerWaalsContact NE2-CA 3.28Å; Q907-P939 VanDerWaalsContact NE2-CB 3.27Å; Q907-P939 PolarHBondContact NE2-O 3.49Å; Q907-S943 WeakPolarHBondContact CG-OG 3.31Å; Q907-S943 PolarHBondContact NE2-OG 2.74Å |
| 908 | L | 59 | Low | 61.5 | Low | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.3 | -45.6 | 171.7 | -77.6 | 175 | 0 | 0 | 0 | 110.6 | A851 V854 V892 L904 A905 F906 V910 R911 H912 | A851-L908 HydrophobicContact CB-CD1 4.08Å; V854-L908 HydrophobicContact CG1-CB 4.04Å; V854-L908 WeakPolarHBondContact CG1-O 3.39Å; V854-L908 HydrophobicContact CG2-CB 4.08Å; V854-L908 HydrophobicContact CG2-CD2 4.22Å; V892-L908 HydrophobicContact CG2-CG 4.24Å; L904-L908 HydrophobicContact CB-CD1 3.9Å; L904-L908 HydrophobicContact CD2-CD1 3.53Å; L904-L908 HydrophobicContact CD2-CG 4.31Å; L904-L908 HydrophobicContact CG-CD1 3.46Å; L904-L908 VanDerWaalsContact CG-CD1 3.46Å; L904-L908 HydrophobicContact CG-CG 3.86Å; L904-L908 VanDerWaalsContact O-CB 3.29Å; L904-L908 WeakPolarHBondContact O-CB 3.48Å; L904-L908 WeakPolarHBondContact O-CD1 3.34Å; L904-L908 WeakPolarHBondContact O-CG 3.42Å; L904-L908 PolarHBondContact O-N 3.39Å; A905-L908 WeakPolarHBondContact O-CB 3.4Å; A905-L908 PolarHBondContact O-N 3.33Å; F906-L908 VanDerWaalsContact C-N 3.26Å; F906-L908 PolarHBondContact O-N 3.15Å; L908-V910 VanDerWaalsContact C-N 3.33Å; L908-V910 PolarHBondContact O-N 3.49Å; L908-R911 VanDerWaalsContact CD2-NH2 3.34Å; L908-H912 PolarHBondContact O-CD2 2.86Å |
| 909 | V | 64.4 | Low | 64.4 | Low | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.2 | -38.6 | 179.2 | 169.5 | 0 | 0 | 0 | 0 | 112.4 | F850 V854 A863 W864 A905 F906 Q907 | F850-V909 HydrophobicContact CD1-CG2 3.46Å; F850-V909 VanDerWaalsContact CD1-CG2 3.46Å; F850-V909 HydrophobicContact CE1-CG2 3.78Å; F850-V909 HydrophobicContact CG-CG2 4.43Å; V854-V909 HydrophobicContact CG1-CG2 4Å; A863-V909 HydrophobicContact CB-CG1 4.22Å; A863-V909 HydrophobicContact CB-CG2 3.55Å; W864-V909 VanDerWaalsContact CA-CG1 3.42Å; W864-V909 HydrophobicContact CB-CG1 3.66Å; W864-V909 HydrophobicContact CE3-CG1 4.13Å; A905-V909 WeakPolarHBondContact O-CB 3.39Å; A905-V909 WeakPolarHBondContact O-CG2 3.2Å; A905-V909 PolarHBondContact O-N 2.86Å; F906-V909 WeakPolarHBondContact O-CA 3.49Å; F906-V909 WeakPolarHBondContact O-CB 3.35Å; F906-V909 PolarHBondContact O-N 2.86Å; Q907-V909 VanDerWaalsContact C-N 3.28Å; Q907-V909 PolarHBondContact O-N 2.81Å |
| 910 | V | 74.1 | Confident | 67.3 | Low | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -84.6 | -53.3 | -175.4 | 169.6 | 0 | 0 | 0 | 0 | 112.7 | F906 Q907 L908 H912 Q913 I922 L944 V947 | F906-V910 HydrophobicContact CD1-CG2 4.32Å; F906-V910 HydrophobicContact CD2-CG2 3.84Å; F906-V910 HydrophobicContact CE1-CB 4.47Å; F906-V910 HydrophobicContact CE1-CG2 3.85Å; F906-V910 HydrophobicContact CE2-CG2 3.23Å; F906-V910 HydrophobicContact CG-CG2 4.35Å; F906-V910 HydrophobicContact CZ-CB 4.29Å; F906-V910 HydrophobicContact CZ-CG2 3.29Å; F906-V910 WeakPolarHBondContact O-CG2 3.48Å; F906-V910 PolarHBondContact O-N 3.35Å; Q907-V910 PolarHBondContact O-N 3.05Å; L908-V910 VanDerWaalsContact C-N 3.33Å; L908-V910 PolarHBondContact O-N 3.49Å; V910-H912 PolarHBondContact O-N 3.3Å; V910-Q913 VanDerWaalsContact O-CB 3.22Å; V910-Q913 WeakPolarHBondContact O-CB 3.31Å; V910-Q913 VanDerWaalsContact O-CG 3.3Å; V910-Q913 WeakPolarHBondContact O-CG 3.41Å; V910-Q913 PolarHBondContact O-N 3.01Å; V910-I922 HydrophobicContact CB-CD1 4.16Å; V910-I922 HydrophobicContact CG1-CD1 3.7Å; V910-I922 HydrophobicContact CG1-CG2 4.35Å; V910-I922 HydrophobicContact CG2-CD1 3.73Å; V910-I922 HydrophobicContact CG2-CG1 4.33Å; V910-I922 HydrophobicContact CG2-CG2 3.96Å; V910-L944 HydrophobicContact CG1-CD2 4.41Å; V910-V947 HydrophobicContact CG1-CG2 3.71Å; V910-V947 WeakPolarHBondContact O-CG2 3.12Å |
| 911 | R | 69.6 | Low | 70.1 | Confident | 44 Ų | 44 | 27 Ų | 27 | 17% | 0.166 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.4 | -18.6 | -165.9 | 76.5 | -166.9 | -170.8 | 160.8 | 6.5 | 115.2 | H774 Q907 L908 N946 N950 | H774-R911 PolarHBondContact CD2-NH1 3.14Å; H774-R911 PolarHBondContact CD2-NH2 3.1Å; H774-R911 VanDerWaalsContact CD2-NH2 3.33Å; H774-R911 VanDerWaalsContact NE2-CZ 3.33Å; H774-R911 PolarHBondContact NE2-NH1 2.85Å; H774-R911 PolarHBondContact NE2-NH2 3.13Å; Q907-R911 WeakPolarHBondContact O-CB 3.34Å; Q907-R911 VanDerWaalsContact O-CD 3.29Å; Q907-R911 WeakPolarHBondContact O-CD 3.37Å; Q907-R911 WeakPolarHBondContact O-CG 3.27Å; Q907-R911 PolarHBondContact O-N 3.12Å; L908-R911 VanDerWaalsContact CD2-NH2 3.34Å; R911-N946 HydrophobicContact CB-CB 4.2Å; R911-N950 PolarHBondContact O-ND2 2.69Å |
| 912 | H | 72.3 | Confident | 72.6 | Confident | 41 Ų | 41 | 25.3 Ų | 25.3 | 19% | 0.19 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -6.4 | 179.4 | -67 | -59.9 | 0 | 0 | 0 | 112.8 | N671 R675 Q860 L908 V910 | N671-H912 PolarHBondContact ND2-O 2.71Å; N671-H912 PolarHBondContact OD1-O 2.99Å; R675-H912 PolarHBondContact NH1-O 3.43Å; R675-H912 PolarHBondContact NH2-O 2.87Å; R675-H912 VanDerWaalsContact NH2-O 3.09Å; Q860-H912 VanDerWaalsContact CD-CB 3.41Å; Q860-H912 HydrophobicContact CG-CB 4.1Å; Q860-H912 PolarHBondContact OE1-O 2.95Å; L908-H912 PolarHBondContact O-CD2 2.86Å; V910-H912 PolarHBondContact O-N 3.3Å |
| 913 | Q | 83.7 | Confident | 75.5 | Confident | 5 Ų | 5 | 26.1 Ų | 26.1 | 2% | 0.023 | 14% | 0.144 | C | C | . | . | trans | -65.2 | 154.3 | 169 | -60.3 | -67.1 | -8.3 | 0 | 0 | 111.1 | D861 V910 K918 V947 N950 | D861-Q913 PolarHBondContact OD1-NE2 2.78Å; D861-Q913 PolarHBondContact OD1-OE1 2.72Å; V910-Q913 VanDerWaalsContact O-CB 3.22Å; V910-Q913 WeakPolarHBondContact O-CB 3.31Å; V910-Q913 VanDerWaalsContact O-CG 3.3Å; V910-Q913 WeakPolarHBondContact O-CG 3.41Å; V910-Q913 PolarHBondContact O-N 3.01Å; Q913-K918 HydrophobicContact CB-CB 4.5Å; Q913-K918 HydrophobicContact CB-CG 3.84Å; Q913-K918 HydrophobicContact CG-CG 3.8Å; Q913-V947 HydrophobicContact CB-CB 4.5Å; Q913-V947 HydrophobicContact CB-CG1 3.85Å; Q913-V947 HydrophobicContact CB-CG2 3.85Å; Q913-V947 WeakPolarHBondContact O-CA 3.26Å; Q913-N950 PolarHBondContact O-ND2 2.73Å; Q913-N950 VanDerWaalsContact O-ND2 3.1Å | ||
| 914 | C | 86.4 | Confident | 77.9 | Confident | 8 Ų | 8 | 29 Ų | 29 | 5% | 0.054 | 17% | 0.165 | C | C | . | . | trans | -136.6 | 38.7 | -174.9 | -50.9 | 0 | 0 | 0 | 0 | 112.9 | R675 N950 A951 L954 | R675-C914 VanDerWaalsContact CZ-SG 3.6Å; R675-C914 PolarHBondContact NH1-SG 3.24Å; C914-N950 HydrophobicContact CB-CB 3.92Å; C914-N950 VanDerWaalsContact SG-CB 3.51Å; C914-A951 WeakPolarHBondContact O-CB 3.47Å; C914-L954 HydrophobicContact CB-CD2 4.3Å | ||
| 915 | S | 89.8 | Confident | 80 | Confident | 52 Ų | 52 | 29.7 Ų | 29.7 | 36% | 0.364 | 17% | 0.167 | S | C | . | . | trans | -140.8 | 134 | 179.5 | 174.3 | 0 | 0 | 0 | 0 | 111 | A917 K918 A919 V947 | S915-A917 VanDerWaalsContact C-N 3.29Å; S915-A917 PolarHBondContact O-N 3.46Å; S915-A917 PolarHBondContact OG-N 3.44Å; S915-K918 WeakPolarHBondContact O-CB 3.28Å; S915-K918 PolarHBondContact O-N 3.29Å; S915-K918 VanDerWaalsContact O-N 3.09Å; S915-A919 PolarHBondContact O-N 3.24Å; S915-V947 WeakPolarHBondContact O-CG1 3.08Å | ||
| 916 | D | 92.1 | Very high | 81.9 | Confident | 72 Ų | 72 | 29.4 Ų | 29.4 | 39% | 0.385 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -59.3 | -42 | 173.8 | -64 | -49 | 0 | 0 | 0 | 111.3 | K918 A919 D920 R948 | D916-K918 PolarHBondContact O-N 3.14Å; D916-A919 WeakPolarHBondContact O-CA 3.14Å; D916-A919 WeakPolarHBondContact O-CB 3.28Å; D916-A919 PolarHBondContact O-N 3.33Å; D916-D920 PolarHBondContact O-N 3.01Å; D916-R948 WeakPolarHBondContact OD1-CG 3.06Å |
| 917 | A | 93.4 | Very high | 83.6 | Confident | 67 Ų | 67 | 35 Ų | 35 | 55% | 0.554 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -59 | -35.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S915 E921 | S915-A917 VanDerWaalsContact C-N 3.29Å; S915-A917 PolarHBondContact O-N 3.46Å; S915-A917 PolarHBondContact OG-N 3.44Å; A917-E921 WeakPolarHBondContact O-CB 3.46Å; A917-E921 PolarHBondContact O-N 3.48Å |
| 918 | K | 90.6 | Very high | 85.3 | Confident | 40 Ų | 40 | 39.5 Ų | 39.5 | 17% | 0.174 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -71.3 | -39.7 | 175.3 | -171.7 | 60.4 | 62.7 | -172 | 0 | 111.4 | Q913 S915 D916 D920 E921 I922 | Q913-K918 HydrophobicContact CB-CB 4.5Å; Q913-K918 HydrophobicContact CB-CG 3.84Å; Q913-K918 HydrophobicContact CG-CG 3.8Å; S915-K918 WeakPolarHBondContact O-CB 3.28Å; S915-K918 PolarHBondContact O-N 3.29Å; S915-K918 VanDerWaalsContact O-N 3.09Å; D916-K918 PolarHBondContact O-N 3.14Å; K918-D920 VanDerWaalsContact C-N 3.31Å; K918-E921 WeakPolarHBondContact CE-OE2 3.45Å; K918-E921 IonicContact NZ-OE1 2.7Å; K918-E921 IonicContact NZ-OE2 3.45Å; K918-E921 PolarHBondContact NZ-OE2 3.48Å; K918-E921 PolarHBondContact O-N 3.06Å; K918-I922 HydrophobicContact CD-CD1 4.24Å; K918-I922 HydrophobicContact CD-CG1 4.46Å; K918-I922 HydrophobicContact CG-CD1 3.87Å; K918-I922 WeakPolarHBondContact O-CB 3.49Å; K918-I922 VanDerWaalsContact O-CD1 3.29Å; K918-I922 WeakPolarHBondContact O-CD1 3.4Å; K918-I922 WeakPolarHBondContact O-CG1 3.38Å; K918-I922 PolarHBondContact O-N 3.26Å |
| 919 | A | 92 | Very high | 86.6 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.7 | -44.9 | 174 | 0 | 0 | 0 | 0 | 0 | 110.9 | S915 D916 I922 E923 L944 V947 R948 | S915-A919 PolarHBondContact O-N 3.24Å; D916-A919 WeakPolarHBondContact O-CA 3.14Å; D916-A919 WeakPolarHBondContact O-CB 3.28Å; D916-A919 PolarHBondContact O-N 3.33Å; A919-I922 PolarHBondContact O-N 3.33Å; A919-E923 WeakPolarHBondContact O-CB 3.37Å; A919-E923 PolarHBondContact O-N 2.84Å; A919-L944 HydrophobicContact CB-CD2 4.13Å; A919-L944 VanDerWaalsContact O-CD2 3.29Å; A919-L944 WeakPolarHBondContact O-CD2 3.4Å; A919-V947 HydrophobicContact CB-CB 4.28Å; A919-V947 HydrophobicContact CB-CG1 3.93Å; A919-R948 HydrophobicContact CB-CG 3.89Å |
| 920 | D | 95 | Very high | 87.5 | Confident | 84 Ų | 84 | 50 Ų | 50 | 45% | 0.449 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.6 | -39.8 | 179.4 | -62 | -17.9 | 0 | 0 | 0 | 112.1 | D916 K918 E923 S924 R948 | D916-D920 PolarHBondContact O-N 3.01Å; K918-D920 VanDerWaalsContact C-N 3.31Å; D920-E923 PolarHBondContact O-N 3.08Å; D920-S924 VanDerWaalsContact O-CB 3.26Å; D920-S924 WeakPolarHBondContact O-CB 3.36Å; D920-S924 PolarHBondContact O-N 3.13Å; D920-R948 IonicContact OD1-CZ 2.78Å; D920-R948 IonicContact OD1-NH2 3.73Å; D920-R948 PolarHBondContact OD1-NH2 2.86Å |
| 921 | E | 94.1 | Very high | 87.8 | Confident | 63 Ų | 63 | 50.2 Ų | 50.2 | 29% | 0.294 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.1 | -47.4 | 172.8 | -177.9 | -165.5 | 146.2 | 0 | 0 | 111.5 | W864 K868 A917 K918 S924 F925 | W864-E921 PolarHBondContact NE1-OE1 3.49Å; K868-E921 IonicContact NZ-OE1 2.99Å; K868-E921 PolarHBondContact NZ-OE1 2.87Å; A917-E921 WeakPolarHBondContact O-CB 3.46Å; A917-E921 PolarHBondContact O-N 3.48Å; K918-E921 WeakPolarHBondContact CE-OE2 3.45Å; K918-E921 IonicContact NZ-OE1 2.7Å; K918-E921 IonicContact NZ-OE2 3.45Å; K918-E921 PolarHBondContact NZ-OE2 3.48Å; K918-E921 PolarHBondContact O-N 3.06Å; E921-S924 PolarHBondContact O-N 2.93Å; E921-F925 WeakPolarHBondContact O-CB 3.37Å; E921-F925 PolarHBondContact O-N 2.9Å |
| 922 | I | 90.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65 | -45 | -179.9 | -68.4 | 161.2 | 0 | 0 | 0 | 110.5 | W864 F906 V910 K918 A919 S924 F925 F926 L940 L944 | W864-I922 HydrophobicContact CD2-CG1 4.23Å; W864-I922 HydrophobicContact CE3-CG1 4.48Å; W864-I922 HydrophobicContact CH2-CB 4.2Å; W864-I922 HydrophobicContact CH2-CG1 3.76Å; W864-I922 HydrophobicContact CH2-CG2 4.16Å; W864-I922 HydrophobicContact CZ2-CB 4.12Å; W864-I922 HydrophobicContact CZ2-CG1 3.41Å; W864-I922 VanDerWaalsContact CZ2-CG1 3.41Å; W864-I922 HydrophobicContact CZ3-CG1 4.3Å; F906-I922 HydrophobicContact CE2-CG2 4.14Å; F906-I922 HydrophobicContact CZ-CG2 3.73Å; V910-I922 HydrophobicContact CB-CD1 4.16Å; V910-I922 HydrophobicContact CG1-CD1 3.7Å; V910-I922 HydrophobicContact CG1-CG2 4.35Å; V910-I922 HydrophobicContact CG2-CD1 3.73Å; V910-I922 HydrophobicContact CG2-CG1 4.33Å; V910-I922 HydrophobicContact CG2-CG2 3.96Å; K918-I922 HydrophobicContact CD-CD1 4.24Å; K918-I922 HydrophobicContact CD-CG1 4.46Å; K918-I922 HydrophobicContact CG-CD1 3.87Å; K918-I922 WeakPolarHBondContact O-CB 3.49Å; K918-I922 VanDerWaalsContact O-CD1 3.29Å; K918-I922 WeakPolarHBondContact O-CD1 3.4Å; K918-I922 WeakPolarHBondContact O-CG1 3.38Å; K918-I922 PolarHBondContact O-N 3.26Å; A919-I922 PolarHBondContact O-N 3.33Å; I922-S924 PolarHBondContact O-N 2.85Å; I922-F925 PolarHBondContact O-N 2.81Å; I922-F926 HydrophobicContact CG2-CD2 4.3Å; I922-F926 HydrophobicContact CG2-CE2 4.43Å; I922-F926 WeakPolarHBondContact O-CD2 3.24Å; I922-F926 PolarHBondContact O-N 2.91Å; I922-F926 VanDerWaalsContact O-N 3.1Å; I922-L940 HydrophobicContact CG2-CD1 4.1Å; I922-L944 HydrophobicContact CB-CD2 3.88Å; I922-L944 HydrophobicContact CG2-CD2 3.74Å |
| 923 | E | 91.4 | Very high | 88.1 | Confident | 34 Ų | 34 | 50.1 Ų | 50.1 | 16% | 0.159 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 178 | -168.7 | 178.5 | 157.6 | 0 | 0 | 111.6 | A919 D920 F926 K927 L944 R948 | A919-E923 WeakPolarHBondContact O-CB 3.37Å; A919-E923 PolarHBondContact O-N 2.84Å; D920-E923 PolarHBondContact O-N 3.08Å; E923-F926 PolarHBondContact O-N 3.15Å; E923-K927 WeakPolarHBondContact O-CG 3.48Å; E923-K927 PolarHBondContact O-N 3.42Å; E923-K927 WeakPolarHBondContact OE1-CE 3.46Å; E923-K927 IonicContact OE1-NZ 2.75Å; E923-K927 PolarHBondContact OE1-NZ 3.22Å; E923-L944 HydrophobicContact CB-CD1 3.78Å; E923-L944 HydrophobicContact CG-CD1 3.96Å; E923-R948 IonicContact OE2-NH1 3.21Å; E923-R948 IonicContact OE2-NH2 3.74Å; E923-R948 PolarHBondContact OE2-NH2 2.85Å |
| 924 | S | 93.9 | Very high | 87.3 | Confident | 68 Ų | 68 | 53.9 Ų | 53.9 | 48% | 0.476 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 176.2 | -178.2 | 0 | 0 | 0 | 0 | 112 | D920 E921 I922 K927 T928 | D920-S924 VanDerWaalsContact O-CB 3.26Å; D920-S924 WeakPolarHBondContact O-CB 3.36Å; D920-S924 PolarHBondContact O-N 3.13Å; E921-S924 PolarHBondContact O-N 2.93Å; I922-S924 PolarHBondContact O-N 2.85Å; S924-K927 PolarHBondContact O-N 3.19Å; S924-T928 WeakPolarHBondContact O-CB 3.44Å; S924-T928 PolarHBondContact O-N 2.93Å; S924-T928 PolarHBondContact O-OG1 2.97Å |
| 925 | F | 91.5 | Very high | 86.4 | Confident | 27 Ų | 27 | 53.9 Ų | 53.9 | 12% | 0.118 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.7 | -47.9 | 176.5 | 179.4 | -97.2 | 0 | 0 | 0 | 111.8 | W864 F867 K868 V871 E921 I922 K927 T928 E929 L931 | W864-F925 HydrophobicContact CH2-CB 4.15Å; W864-F925 AromaticContact CH2-CD1 3.68Å; W864-F925 HydrophobicContact CH2-CD1 3.68Å; W864-F925 HydrophobicContact CH2-CE1 4.3Å; W864-F925 AromaticContact CH2-CG 3.97Å; W864-F925 HydrophobicContact CH2-CG 3.97Å; W864-F925 HydrophobicContact CZ2-CB 4.28Å; W864-F925 HydrophobicContact CZ2-CD1 4.49Å; W864-F925 HydrophobicContact CZ2-CG 4.35Å; W864-F925 HydrophobicContact CZ3-CD1 4.43Å; F867-F925 HydrophobicContact CD1-CE1 4.12Å; F867-F925 AromaticContact CE1-CE1 3.87Å; F867-F925 HydrophobicContact CE1-CE1 3.87Å; K868-F925 HydrophobicContact CB-CE2 3.97Å; K868-F925 HydrophobicContact CB-CZ 4.16Å; K868-F925 HydrophobicContact CD-CD2 4.24Å; K868-F925 HydrophobicContact CD-CE2 4.46Å; K868-F925 HydrophobicContact CG-CD2 3.97Å; K868-F925 HydrophobicContact CG-CE1 4.42Å; K868-F925 HydrophobicContact CG-CE2 3.82Å; K868-F925 HydrophobicContact CG-CG 4.32Å; K868-F925 HydrophobicContact CG-CZ 4.05Å; V871-F925 HydrophobicContact CB-CE1 4.42Å; V871-F925 HydrophobicContact CB-CZ 3.98Å; V871-F925 HydrophobicContact CG1-CZ 3.83Å; V871-F925 HydrophobicContact CG2-CE1 4.3Å; V871-F925 HydrophobicContact CG2-CZ 4.3Å; E921-F925 WeakPolarHBondContact O-CB 3.37Å; E921-F925 PolarHBondContact O-N 2.9Å; I922-F925 PolarHBondContact O-N 2.81Å; F925-K927 VanDerWaalsContact C-N 3.3Å; F925-K927 PolarHBondContact O-N 2.86Å; F925-T928 PolarHBondContact O-N 3.45Å; F925-E929 HydrophobicContact CD1-CG 4.42Å; F925-E929 HydrophobicContact CD2-CG 3.98Å; F925-E929 HydrophobicContact CE1-CG 4.08Å; F925-E929 HydrophobicContact CE2-CG 3.61Å; F925-E929 HydrophobicContact CG-CG 4.39Å; F925-E929 HydrophobicContact CZ-CG 3.67Å; F925-E929 WeakPolarHBondContact O-CB 3.36Å; F925-E929 WeakPolarHBondContact O-CG 3.37Å; F925-E929 PolarHBondContact O-N 2.62Å; F925-L931 HydrophobicContact CD1-CD1 4.43Å; F925-L931 HydrophobicContact CE1-CD1 3.96Å |
| 926 | F | 87.7 | Confident | 85.6 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.8 | -35.3 | 179.9 | -90 | -108.9 | 0 | 0 | 0 | 113.3 | F867 V890 F906 I922 E923 N930 L931 M932 L940 | F867-F926 AromaticContact CE1-CE2 3.99Å; F867-F926 HydrophobicContact CE1-CE2 3.99Å; F867-F926 AromaticContact CE1-CZ 4Å; F867-F926 HydrophobicContact CE1-CZ 4Å; F867-F926 HydrophobicContact CZ-CZ 4.11Å; V890-F926 HydrophobicContact CG1-CE1 3.84Å; V890-F926 HydrophobicContact CG1-CZ 4.22Å; V890-F926 HydrophobicContact CG2-CE1 4.16Å; V890-F926 HydrophobicContact CG2-CZ 4.45Å; F906-F926 HydrophobicContact CD1-CZ 4.04Å; F906-F926 AromaticContact CD2-CE2 3.91Å; F906-F926 HydrophobicContact CD2-CE2 3.91Å; F906-F926 AromaticContact CD2-CZ 3.71Å; F906-F926 HydrophobicContact CD2-CZ 3.71Å; F906-F926 HydrophobicContact CE1-CE1 4.24Å; F906-F926 HydrophobicContact CE1-CE2 4Å; F906-F926 AromaticContact CE1-CZ 3.58Å; F906-F926 HydrophobicContact CE1-CZ 3.58Å; F906-F926 HydrophobicContact CE2-CD2 4.22Å; F906-F926 AromaticContact CE2-CE2 3.07Å; F906-F926 HydrophobicContact CE2-CE2 3.07Å; F906-F926 AromaticContact CE2-CZ 3.25Å; F906-F926 HydrophobicContact CE2-CZ 3.25Å; F906-F926 HydrophobicContact CG-CZ 4.06Å; F906-F926 AromaticContact CZ-CD2 3.98Å; F906-F926 HydrophobicContact CZ-CD2 3.98Å; F906-F926 HydrophobicContact CZ-CE1 4.1Å; F906-F926 AromaticContact CZ-CE2 3.08Å; F906-F926 HydrophobicContact CZ-CE2 3.08Å; F906-F926 AromaticContact CZ-CZ 3.13Å; F906-F926 HydrophobicContact CZ-CZ 3.13Å; I922-F926 HydrophobicContact CG2-CD2 4.3Å; I922-F926 HydrophobicContact CG2-CE2 4.43Å; I922-F926 WeakPolarHBondContact O-CD2 3.24Å; I922-F926 PolarHBondContact O-N 2.91Å; I922-F926 VanDerWaalsContact O-N 3.1Å; E923-F926 PolarHBondContact O-N 3.15Å; F926-N930 PolarHBondContact O-N 3.47Å; F926-L931 HydrophobicContact CD1-CB 3.79Å; F926-L931 HydrophobicContact CD1-CD1 4.3Å; F926-L931 HydrophobicContact CE1-CB 4.16Å; F926-L931 HydrophobicContact CE1-CD1 4.29Å; F926-L931 HydrophobicContact CG-CB 4.39Å; F926-L931 HydrophobicContact CG-CD1 4.45Å; F926-L931 HydrophobicContact CZ-CD1 4.39Å; F926-L931 PolarHBondContact O-N 3.26Å; F926-M932 HydrophobicContact CB-CG 4.31Å; F926-M932 HydrophobicContact CB-SD 4.1Å; F926-M932 HydrophobicContact CD1-SD 4.29Å; F926-L940 HydrophobicContact CB-CD2 3.8Å; F926-L940 HydrophobicContact CD1-CD1 4.27Å; F926-L940 HydrophobicContact CD1-CD2 3.86Å; F926-L940 HydrophobicContact CD2-CD1 4.21Å; F926-L940 HydrophobicContact CE1-CD1 4.41Å; F926-L940 HydrophobicContact CE2-CD1 4.41Å; F926-L940 HydrophobicContact CG-CD1 4.17Å; F926-L940 HydrophobicContact CG-CD2 3.79Å; F926-L940 HydrophobicContact CZ-CD1 4.49Å |
| 927 | K | 89.4 | Confident | 85 | Confident | 116 Ų | 116 | 49.9 Ų | 49.9 | 50% | 0.504 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -70 | -44.1 | 174.7 | -69.7 | 174.5 | -174.7 | 170.7 | 0 | 111.5 | E923 S924 F925 N930 | E923-K927 WeakPolarHBondContact O-CG 3.48Å; E923-K927 PolarHBondContact O-N 3.42Å; E923-K927 WeakPolarHBondContact OE1-CE 3.46Å; E923-K927 IonicContact OE1-NZ 2.75Å; E923-K927 PolarHBondContact OE1-NZ 3.22Å; S924-K927 PolarHBondContact O-N 3.19Å; F925-K927 VanDerWaalsContact C-N 3.3Å; F925-K927 PolarHBondContact O-N 2.86Å; K927-N930 PolarHBondContact O-N 2.73Å |
| 928 | T | 90.8 | Very high | 84.5 | Confident | 106 Ų | 106 | 48.8 Ų | 48.8 | 65% | 0.65 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -68.7 | -41.6 | -176.5 | -54.9 | 0 | 0 | 0 | 0 | 112 | S924 F925 N930 | S924-T928 WeakPolarHBondContact O-CB 3.44Å; S924-T928 PolarHBondContact O-N 2.93Å; S924-T928 PolarHBondContact O-OG1 2.97Å; F925-T928 PolarHBondContact O-N 3.45Å; T928-N930 PolarHBondContact O-N 3.15Å |
| 929 | E | 85.7 | Confident | 83.9 | Confident | 93 Ų | 93 | 47 Ų | 47 | 44% | 0.435 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 5.4 | 178.1 | -63.9 | -62.5 | 142.1 | 0 | 0 | 113.3 | V871 F925 L931 | V871-E929 HydrophobicContact CG1-CG 4.46Å; F925-E929 HydrophobicContact CD1-CG 4.42Å; F925-E929 HydrophobicContact CD2-CG 3.98Å; F925-E929 HydrophobicContact CE1-CG 4.08Å; F925-E929 HydrophobicContact CE2-CG 3.61Å; F925-E929 HydrophobicContact CG-CG 4.39Å; F925-E929 HydrophobicContact CZ-CG 3.67Å; F925-E929 WeakPolarHBondContact O-CB 3.36Å; F925-E929 WeakPolarHBondContact O-CG 3.37Å; F925-E929 PolarHBondContact O-N 2.62Å; E929-L931 VanDerWaalsContact C-N 3.26Å; E929-L931 HydrophobicContact CB-CD1 3.76Å; E929-L931 HydrophobicContact CB-CD2 4.25Å; E929-L931 HydrophobicContact CB-CG 3.65Å; E929-L931 PolarHBondContact O-N 3.39Å |
| 930 | N | 83.6 | Confident | 83.5 | Confident | 129 Ų | 129 | 47 Ų | 47 | 69% | 0.69 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 42.3 | -178.7 | -162.7 | 26.3 | 0 | 0 | 0 | 113.9 | F926 K927 T928 | F926-N930 PolarHBondContact O-N 3.47Å; K927-N930 PolarHBondContact O-N 2.73Å; T928-N930 PolarHBondContact O-N 3.15Å |
| 931 | L | 80.6 | Confident | 83.1 | Confident | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | trans | -89.7 | -6.6 | -177.5 | -57.4 | 174 | 0 | 0 | 0 | 112.7 | V871 V875 P881 F886 F925 F926 E929 L936 | V871-L931 HydrophobicContact CG2-CD1 3.72Å; V871-L931 HydrophobicContact CG2-CD2 4.23Å; V875-L931 HydrophobicContact CG2-CD2 3.93Å; P881-L931 HydrophobicContact CB-CD2 4.3Å; P881-L931 HydrophobicContact CG-CD2 4.32Å; F886-L931 HydrophobicContact CE1-CB 4.2Å; F886-L931 HydrophobicContact CE1-CD2 4.19Å; F886-L931 HydrophobicContact CZ-CB 4.35Å; F886-L931 HydrophobicContact CZ-CD1 4.26Å; F886-L931 HydrophobicContact CZ-CD2 3.83Å; F886-L931 HydrophobicContact CZ-CG 4.35Å; F925-L931 HydrophobicContact CD1-CD1 4.43Å; F925-L931 HydrophobicContact CE1-CD1 3.96Å; F926-L931 HydrophobicContact CD1-CB 3.79Å; F926-L931 HydrophobicContact CD1-CD1 4.3Å; F926-L931 HydrophobicContact CE1-CB 4.16Å; F926-L931 HydrophobicContact CE1-CD1 4.29Å; F926-L931 HydrophobicContact CG-CB 4.39Å; F926-L931 HydrophobicContact CG-CD1 4.45Å; F926-L931 HydrophobicContact CZ-CD1 4.39Å; F926-L931 PolarHBondContact O-N 3.26Å; E929-L931 VanDerWaalsContact C-N 3.26Å; E929-L931 HydrophobicContact CB-CD1 3.76Å; E929-L931 HydrophobicContact CB-CD2 4.25Å; E929-L931 HydrophobicContact CB-CG 3.65Å; E929-L931 PolarHBondContact O-N 3.39Å; L931-L936 WeakPolarHBondContact O-CD1 3.49Å | ||
| 932 | M | 76.4 | Confident | 82.8 | Confident | 54 Ų | 54 | 43.5 Ų | 43.5 | 27% | 0.266 | 23% | 0.229 | S | C | . | . | trans | -76.4 | 130.4 | -176.6 | -68.7 | -63.6 | -74.1 | 0 | 0 | 111.7 | F926 L940 Y941 | F926-M932 HydrophobicContact CB-CG 4.31Å; F926-M932 HydrophobicContact CB-SD 4.1Å; F926-M932 HydrophobicContact CD1-SD 4.29Å; M932-L940 HydrophobicContact CE-CD2 3.99Å; M932-L940 HydrophobicContact SD-CD2 3.29Å; M932-L940 WeakPolarHBondContact SD-CD2 3.35Å; M932-Y941 HydrophobicContact CE-CE2 4.13Å | ||
| 933 | N | 71.6 | Confident | 82.5 | Confident | 29 Ų | 29 | 43.5 Ų | 43.5 | 16% | 0.155 | 23% | 0.23 | C | C | . | . | trans | -144.7 | 175.4 | 168.9 | 69.8 | 47.6 | 0 | 0 | 0 | 110.7 | P881 T882 A935 L936 S937 | P881-N933 PolarHBondContact O-ND2 2.66Å; T882-N933 HydrophobicContact CG2-CB 4.48Å; N933-A935 PolarHBondContact O-N 3.24Å; N933-A935 WeakPolarHBondContact OD1-CA 3.43Å; N933-A935 WeakPolarHBondContact OD1-CB 3.45Å; N933-A935 PolarHBondContact OD1-N 2.68Å; N933-L936 WeakPolarHBondContact ND2-CD1 3.28Å; N933-L936 PolarHBondContact O-N 2.89Å; N933-L936 VanDerWaalsContact O-N 3.15Å; N933-L936 WeakPolarHBondContact OD1-CB 3.47Å; N933-L936 WeakPolarHBondContact OD1-CG 3.45Å; N933-L936 PolarHBondContact OD1-N 3.38Å; N933-S937 PolarHBondContact O-N 2.93Å | ||
| 934 | T | 67.3 | Low | 82.4 | Confident | 84 Ų | 84 | 41.9 Ų | 41.9 | 52% | 0.515 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -56.2 | -46.2 | -179 | 46.2 | 0 | 0 | 0 | 0 | 112.3 | L936 S937 | T934-L936 VanDerWaalsContact C-N 3.31Å; T934-L936 PolarHBondContact O-N 3.3Å; T934-S937 PolarHBondContact O-OG 2.78Å; T934-S937 VanDerWaalsContact O-OG 3.04Å |
| 935 | A | 67.3 | Low | 82.3 | Confident | 8 Ų | 8 | 39.4 Ų | 39.4 | 7% | 0.066 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.9 | -25.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | A887 N933 P939 | A887-A935 HydrophobicContact CB-CB 4.07Å; N933-A935 PolarHBondContact O-N 3.24Å; N933-A935 WeakPolarHBondContact OD1-CA 3.43Å; N933-A935 WeakPolarHBondContact OD1-CB 3.45Å; N933-A935 PolarHBondContact OD1-N 2.68Å; A935-P939 WeakPolarHBondContact O-CD 3.4Å |
| 936 | L | 73 | Confident | 82.2 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -96.3 | -25.2 | -174 | -77.4 | -173.4 | 0 | 0 | 0 | 115.8 | F886 A887 V890 L931 N933 T934 R938 P939 L940 | F886-L936 HydrophobicContact CD1-CD1 3.61Å; F886-L936 HydrophobicContact CE1-CD1 3.59Å; A887-L936 HydrophobicContact CB-CD2 4.12Å; A887-L936 HydrophobicContact CB-CG 4.31Å; A887-L936 WeakPolarHBondContact O-CD2 3.27Å; V890-L936 HydrophobicContact CB-CD2 3.33Å; V890-L936 HydrophobicContact CG1-CD2 3.76Å; V890-L936 HydrophobicContact CG2-CD1 4.15Å; V890-L936 HydrophobicContact CG2-CD2 3.65Å; L931-L936 WeakPolarHBondContact O-CD1 3.49Å; N933-L936 WeakPolarHBondContact ND2-CD1 3.28Å; N933-L936 PolarHBondContact O-N 2.89Å; N933-L936 VanDerWaalsContact O-N 3.15Å; N933-L936 WeakPolarHBondContact OD1-CB 3.47Å; N933-L936 WeakPolarHBondContact OD1-CG 3.45Å; N933-L936 PolarHBondContact OD1-N 3.38Å; T934-L936 VanDerWaalsContact C-N 3.31Å; T934-L936 PolarHBondContact O-N 3.3Å; L936-R938 PolarHBondContact O-N 2.98Å; L936-P939 WeakPolarHBondContact O-CD 3.43Å; L936-L940 WeakPolarHBondContact O-CB 3.39Å; L936-L940 PolarHBondContact O-N 3.18Å |
| 937 | S | 79.4 | Confident | 82.4 | Confident | 40 Ų | 40 | 39.9 Ų | 39.9 | 28% | 0.28 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -53.6 | -55.5 | -174.8 | 61.5 | 0 | 0 | 0 | 0 | 112.4 | N933 T934 L940 Y941 | N933-S937 PolarHBondContact O-N 2.93Å; T934-S937 PolarHBondContact O-OG 2.78Å; T934-S937 VanDerWaalsContact O-OG 3.04Å; S937-L940 PolarHBondContact O-N 3.34Å; S937-Y941 WeakPolarHBondContact O-CD2 3.18Å; S937-Y941 PolarHBondContact O-N 3.13Å; S937-Y941 VanDerWaalsContact O-N 3.07Å |
| 938 | R | 82.9 | Confident | 82.6 | Confident | 45 Ų | 45 | 38 Ų | 38 | 17% | 0.17 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.6 | -52.6 | -178.9 | 177.9 | 176.7 | 70.7 | -126.7 | -0.8 | 112.6 | H404 H406 S420 L936 L940 Y941 Q942 | H404-R938 WeakPolarHBondContact O-CD 3.18Å; H404-R938 VanDerWaalsContact O-CG 3.22Å; H404-R938 WeakPolarHBondContact O-CG 3.3Å; H406-R938 VanDerWaalsContact CD2-CZ 3.45Å; S420-R938 PolarHBondContact O-NH2 3.09Å; S420-R938 PolarHBondContact OG-NH2 3.37Å; L936-R938 PolarHBondContact O-N 2.98Å; R938-L940 VanDerWaalsContact C-N 3.3Å; R938-L940 PolarHBondContact O-N 3.22Å; R938-Y941 PolarHBondContact O-N 2.72Å; R938-Q942 HydrophobicContact CG-CG 4.23Å; R938-Q942 VanDerWaalsContact O-CG 3.29Å; R938-Q942 WeakPolarHBondContact O-CG 3.3Å; R938-Q942 PolarHBondContact O-N 2.73Å |
| 939 | P | 78 | Confident | 82.8 | Confident | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.013 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -52.6 | -42.6 | 175.2 | -30.3 | 36 | 0 | 0 | 0 | 114.3 | V890 K891 Q907 A935 L936 S943 | V890-P939 WeakPolarHBondContact O-CB 3.42Å; K891-P939 HydrophobicContact CB-CB 4.39Å; K891-P939 HydrophobicContact CB-CG 4.43Å; K891-P939 HydrophobicContact CG-CB 4.35Å; K891-P939 HydrophobicContact CG-CG 4.1Å; Q907-P939 VanDerWaalsContact NE2-C 3.29Å; Q907-P939 VanDerWaalsContact NE2-CA 3.28Å; Q907-P939 VanDerWaalsContact NE2-CB 3.27Å; Q907-P939 PolarHBondContact NE2-O 3.49Å; A935-P939 WeakPolarHBondContact O-CD 3.4Å; L936-P939 WeakPolarHBondContact O-CD 3.43Å; P939-S943 PolarHBondContact O-N 3.39Å; P939-S943 VanDerWaalsContact O-N 3.13Å; P939-S943 PolarHBondContact O-OG 3.04Å |
| 940 | L | 83.1 | Confident | 83.1 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.3 | -52.2 | 176.9 | 176.1 | 65.4 | 0 | 0 | 0 | 110.8 | F906 I922 F926 M932 L936 S937 R938 Q942 S943 L944 | F906-L940 HydrophobicContact CE1-CD1 3.6Å; F906-L940 HydrophobicContact CZ-CD1 3.56Å; I922-L940 HydrophobicContact CG2-CD1 4.1Å; F926-L940 HydrophobicContact CB-CD2 3.8Å; F926-L940 HydrophobicContact CD1-CD1 4.27Å; F926-L940 HydrophobicContact CD1-CD2 3.86Å; F926-L940 HydrophobicContact CD2-CD1 4.21Å; F926-L940 HydrophobicContact CE1-CD1 4.41Å; F926-L940 HydrophobicContact CE2-CD1 4.41Å; F926-L940 HydrophobicContact CG-CD1 4.17Å; F926-L940 HydrophobicContact CG-CD2 3.79Å; F926-L940 HydrophobicContact CZ-CD1 4.49Å; M932-L940 HydrophobicContact CE-CD2 3.99Å; M932-L940 HydrophobicContact SD-CD2 3.29Å; M932-L940 WeakPolarHBondContact SD-CD2 3.35Å; L936-L940 WeakPolarHBondContact O-CB 3.39Å; L936-L940 PolarHBondContact O-N 3.18Å; S937-L940 PolarHBondContact O-N 3.34Å; R938-L940 VanDerWaalsContact C-N 3.3Å; R938-L940 PolarHBondContact O-N 3.22Å; L940-Q942 VanDerWaalsContact C-N 3.32Å; L940-Q942 PolarHBondContact O-N 2.84Å; L940-S943 WeakPolarHBondContact O-CA 3.09Å; L940-S943 WeakPolarHBondContact O-CB 3.28Å; L940-S943 PolarHBondContact O-N 3.15Å; L940-L944 HydrophobicContact CD1-CD1 4.23Å; L940-L944 HydrophobicContact CD1-CG 4.17Å; L940-L944 HydrophobicContact CD2-CD1 4.45Å; L940-L944 HydrophobicContact CG-CD1 3.96Å; L940-L944 HydrophobicContact CG-CG 4.29Å; L940-L944 WeakPolarHBondContact O-CG 3.38Å; L940-L944 PolarHBondContact O-N 3.34Å |
| 941 | Y | 87.8 | Confident | 83.6 | Confident | 65 Ų | 65 | 23.5 Ų | 23.5 | 26% | 0.255 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -64.4 | -35.2 | -177.7 | -70.6 | -57.8 | 0 | 0 | 0 | 113.1 | H404 M932 S937 R938 S943 L944 E945 | H404-Y941 VanDerWaalsContact CD2-CB 3.4Å; H404-Y941 WeakPolarHBondContact CD2-CB 3.13Å; H404-Y941 AromaticContact CD2-CG 3.91Å; H404-Y941 AromaticContact NE2-CG 3.88Å; M932-Y941 HydrophobicContact CE-CE2 4.13Å; S937-Y941 WeakPolarHBondContact O-CD2 3.18Å; S937-Y941 PolarHBondContact O-N 3.13Å; S937-Y941 VanDerWaalsContact O-N 3.07Å; R938-Y941 PolarHBondContact O-N 2.72Å; Y941-S943 VanDerWaalsContact C-N 3.28Å; Y941-S943 PolarHBondContact O-N 3.04Å; Y941-L944 HydrophobicContact CD1-CD1 4.09Å; Y941-L944 HydrophobicContact CE1-CD1 4.5Å; Y941-L944 PolarHBondContact O-N 3.33Å; Y941-E945 VanDerWaalsContact O-CB 3.23Å; Y941-E945 WeakPolarHBondContact O-CB 3.45Å; Y941-E945 PolarHBondContact O-N 3.18Å |
| 942 | Q | 86.5 | Confident | 84.3 | Confident | 7 Ų | 7 | 25.6 Ų | 25.6 | 3% | 0.033 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.9 | -39.1 | 170.5 | -71.9 | 173 | -18.4 | 0 | 0 | 112.1 | L402 H404 R938 L940 N946 | L402-Q942 HydrophobicContact CD1-CB 3.8Å; L402-Q942 HydrophobicContact CD1-CG 3.88Å; H404-Q942 HydrophobicContact CB-CG 3.93Å; H404-Q942 WeakPolarHBondContact O-CG 3.5Å; H404-Q942 PolarHBondContact O-NE2 2.91Å; R938-Q942 HydrophobicContact CG-CG 4.23Å; R938-Q942 VanDerWaalsContact O-CG 3.29Å; R938-Q942 WeakPolarHBondContact O-CG 3.3Å; R938-Q942 PolarHBondContact O-N 2.73Å; L940-Q942 VanDerWaalsContact C-N 3.32Å; L940-Q942 PolarHBondContact O-N 2.84Å; Q942-N946 PolarHBondContact O-N 3.26Å; Q942-N946 VanDerWaalsContact O-N 3.1Å; Q942-N946 PolarHBondContact O-ND2 3.38Å |
| 943 | S | 84.6 | Confident | 85.2 | Confident | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.007 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -69.2 | -46.7 | 178 | -56.6 | 0 | 0 | 0 | 0 | 111.2 | Q907 P939 L940 Y941 E945 N946 V947 | Q907-S943 WeakPolarHBondContact CG-OG 3.31Å; Q907-S943 PolarHBondContact NE2-OG 2.74Å; P939-S943 PolarHBondContact O-N 3.39Å; P939-S943 VanDerWaalsContact O-N 3.13Å; P939-S943 PolarHBondContact O-OG 3.04Å; L940-S943 WeakPolarHBondContact O-CA 3.09Å; L940-S943 WeakPolarHBondContact O-CB 3.28Å; L940-S943 PolarHBondContact O-N 3.15Å; Y941-S943 VanDerWaalsContact C-N 3.28Å; Y941-S943 PolarHBondContact O-N 3.04Å; S943-E945 VanDerWaalsContact C-N 3.29Å; S943-E945 PolarHBondContact O-N 3.46Å; S943-N946 WeakPolarHBondContact O-CB 3.41Å; S943-N946 PolarHBondContact O-N 2.94Å; S943-V947 WeakPolarHBondContact O-CG2 2.97Å; S943-V947 PolarHBondContact O-N 2.96Å |
| 944 | L | 90 | Very high | 86.2 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.8 | -39.5 | 175.8 | -65.3 | 176.6 | 0 | 0 | 0 | 111.7 | V910 A919 I922 E923 L940 Y941 V947 R948 | V910-L944 HydrophobicContact CG1-CD2 4.41Å; A919-L944 HydrophobicContact CB-CD2 4.13Å; A919-L944 VanDerWaalsContact O-CD2 3.29Å; A919-L944 WeakPolarHBondContact O-CD2 3.4Å; I922-L944 HydrophobicContact CB-CD2 3.88Å; I922-L944 HydrophobicContact CG2-CD2 3.74Å; E923-L944 HydrophobicContact CB-CD1 3.78Å; E923-L944 HydrophobicContact CG-CD1 3.96Å; L940-L944 HydrophobicContact CD1-CD1 4.23Å; L940-L944 HydrophobicContact CD1-CG 4.17Å; L940-L944 HydrophobicContact CD2-CD1 4.45Å; L940-L944 HydrophobicContact CG-CD1 3.96Å; L940-L944 HydrophobicContact CG-CG 4.29Å; L940-L944 WeakPolarHBondContact O-CG 3.38Å; L940-L944 PolarHBondContact O-N 3.34Å; Y941-L944 HydrophobicContact CD1-CD1 4.09Å; Y941-L944 HydrophobicContact CE1-CD1 4.5Å; Y941-L944 PolarHBondContact O-N 3.33Å; L944-V947 WeakPolarHBondContact O-CB 3.32Å; L944-V947 PolarHBondContact O-N 3.17Å; L944-R948 WeakPolarHBondContact O-CG 2.9Å; L944-R948 PolarHBondContact O-N 3.07Å |
| 945 | E | 90.8 | Very high | 87.5 | Confident | 16 Ų | 16 | 24.4 Ų | 24.4 | 8% | 0.075 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.5 | -45 | 174.5 | -171.9 | 169.4 | 172.8 | 0 | 0 | 110.9 | L402 K403 H404 Y941 S943 V947 R948 L949 | L402-E945 WeakPolarHBondContact CA-OE1 3.3Å; L402-E945 HydrophobicContact CD2-CG 4.09Å; K403-E945 PolarHBondContact N-OE1 2.75Å; K403-E945 PolarHBondContact N-OE2 2.95Å; K403-E945 VanDerWaalsContact N-OE2 3.15Å; H404-E945 IonicContact CE1-OE2 3.26Å; H404-E945 IonicContact CG-OE2 4Å; H404-E945 PolarHBondContact N-OE2 3.34Å; H404-E945 IonicContact ND1-OE2 3.7Å; H404-E945 PolarHBondContact ND1-OE2 3.01Å; Y941-E945 VanDerWaalsContact O-CB 3.23Å; Y941-E945 WeakPolarHBondContact O-CB 3.45Å; Y941-E945 PolarHBondContact O-N 3.18Å; S943-E945 VanDerWaalsContact C-N 3.29Å; S943-E945 PolarHBondContact O-N 3.46Å; E945-V947 VanDerWaalsContact C-N 3.32Å; E945-V947 PolarHBondContact O-N 3.32Å; E945-R948 PolarHBondContact O-N 3.33Å; E945-L949 HydrophobicContact CG-CD1 4.23Å; E945-L949 HydrophobicContact CG-CG 4.5Å; E945-L949 WeakPolarHBondContact O-CB 3.3Å; E945-L949 WeakPolarHBondContact O-CG 3.19Å; E945-L949 PolarHBondContact O-N 3.49Å |
| 946 | N | 90.3 | Very high | 88.8 | Confident | 36 Ų | 36 | 28.2 Ų | 28.2 | 19% | 0.193 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.1 | -37.6 | 174.1 | -82.3 | -76.5 | 0 | 0 | 0 | 113.4 | R634 R911 Q942 S943 L949 N950 | R634-N946 PolarHBondContact NH2-OD1 3.41Å; R911-N946 HydrophobicContact CB-CB 4.2Å; Q942-N946 PolarHBondContact O-N 3.26Å; Q942-N946 VanDerWaalsContact O-N 3.1Å; Q942-N946 PolarHBondContact O-ND2 3.38Å; S943-N946 WeakPolarHBondContact O-CB 3.41Å; S943-N946 PolarHBondContact O-N 2.94Å; N946-L949 PolarHBondContact O-N 3.38Å; N946-N950 PolarHBondContact O-N 3.45Å; N946-N950 PolarHBondContact O-ND2 3.45Å |
| 947 | V | 91.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.7 | -47.3 | 174.9 | 175.9 | 0 | 0 | 0 | 0 | 111.3 | V910 Q913 S915 A919 S943 L944 E945 L949 N950 A951 | V910-V947 HydrophobicContact CG1-CG2 3.71Å; V910-V947 WeakPolarHBondContact O-CG2 3.12Å; Q913-V947 HydrophobicContact CB-CB 4.5Å; Q913-V947 HydrophobicContact CB-CG1 3.85Å; Q913-V947 HydrophobicContact CB-CG2 3.85Å; Q913-V947 WeakPolarHBondContact O-CA 3.26Å; S915-V947 WeakPolarHBondContact O-CG1 3.08Å; A919-V947 HydrophobicContact CB-CB 4.28Å; A919-V947 HydrophobicContact CB-CG1 3.93Å; S943-V947 WeakPolarHBondContact O-CG2 2.97Å; S943-V947 PolarHBondContact O-N 2.96Å; L944-V947 WeakPolarHBondContact O-CB 3.32Å; L944-V947 PolarHBondContact O-N 3.17Å; E945-V947 VanDerWaalsContact C-N 3.32Å; E945-V947 PolarHBondContact O-N 3.32Å; V947-L949 VanDerWaalsContact C-N 3.33Å; V947-N950 PolarHBondContact O-N 3.04Å; V947-A951 PolarHBondContact O-N 3.23Å |
| 948 | R | 94.1 | Very high | 90.6 | Very high | 78 Ų | 78 | 27.2 Ų | 27.2 | 29% | 0.294 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -66 | -36.6 | 178.5 | -66.2 | -177.5 | 176.5 | 118.7 | -3.1 | 111.4 | D916 A919 D920 E923 L944 E945 A951 A952 | D916-R948 WeakPolarHBondContact OD1-CG 3.06Å; A919-R948 HydrophobicContact CB-CG 3.89Å; D920-R948 IonicContact OD1-CZ 2.78Å; D920-R948 IonicContact OD1-NH2 3.73Å; D920-R948 PolarHBondContact OD1-NH2 2.86Å; E923-R948 IonicContact OE2-NH1 3.21Å; E923-R948 IonicContact OE2-NH2 3.74Å; E923-R948 PolarHBondContact OE2-NH2 2.85Å; L944-R948 WeakPolarHBondContact O-CG 2.9Å; L944-R948 PolarHBondContact O-N 3.07Å; E945-R948 PolarHBondContact O-N 3.33Å; R948-A951 WeakPolarHBondContact O-CB 3.34Å; R948-A951 PolarHBondContact O-N 3.32Å; R948-A952 WeakPolarHBondContact O-CB 3.42Å; R948-A952 PolarHBondContact O-N 3.39Å |
| 949 | L | 93.7 | Very high | 91.2 | Very high | 15 Ų | 15 | 29.5 Ų | 29.5 | 8% | 0.079 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.5 | -43.1 | 173 | -72 | 170.1 | 0 | 0 | 0 | 112.2 | L402 D517 A518 E945 N946 V947 A952 L953 | L402-L949 HydrophobicContact CD2-CD1 3.86Å; D517-L949 VanDerWaalsContact C-CD2 3.41Å; D517-L949 HydrophobicContact CB-CD1 3.56Å; D517-L949 HydrophobicContact CB-CD2 3.93Å; D517-L949 HydrophobicContact CB-CG 4.41Å; D517-L949 WeakPolarHBondContact O-CD2 3.26Å; A518-L949 HydrophobicContact CB-CD2 4.37Å; E945-L949 HydrophobicContact CG-CD1 4.23Å; E945-L949 HydrophobicContact CG-CG 4.5Å; E945-L949 WeakPolarHBondContact O-CB 3.3Å; E945-L949 WeakPolarHBondContact O-CG 3.19Å; E945-L949 PolarHBondContact O-N 3.49Å; N946-L949 PolarHBondContact O-N 3.38Å; V947-L949 VanDerWaalsContact C-N 3.33Å; L949-A952 PolarHBondContact O-N 2.91Å; L949-L953 WeakPolarHBondContact O-CB 3.08Å; L949-L953 PolarHBondContact O-N 3.37Å |
| 950 | N | 93.1 | Very high | 92 | Very high | 7 Ų | 7 | 32.8 Ų | 32.8 | 4% | 0.037 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.8 | -38.4 | 175.8 | -64.4 | -25.1 | 0 | 0 | 0 | 111.7 | R911 Q913 C914 N946 V947 L953 L954 | R911-N950 PolarHBondContact O-ND2 2.69Å; Q913-N950 PolarHBondContact O-ND2 2.73Å; Q913-N950 VanDerWaalsContact O-ND2 3.1Å; C914-N950 HydrophobicContact CB-CB 3.92Å; C914-N950 VanDerWaalsContact SG-CB 3.51Å; N946-N950 PolarHBondContact O-N 3.45Å; N946-N950 PolarHBondContact O-ND2 3.45Å; V947-N950 PolarHBondContact O-N 3.04Å; N950-L953 PolarHBondContact O-N 2.76Å; N950-L954 VanDerWaalsContact O-CB 3.32Å; N950-L954 WeakPolarHBondContact O-CB 3.34Å; N950-L954 PolarHBondContact O-N 2.66Å |
| 951 | A | 94.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.008 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.1 | -45.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | C914 V947 R948 L954 N955 | C914-A951 WeakPolarHBondContact O-CB 3.47Å; V947-A951 PolarHBondContact O-N 3.23Å; R948-A951 WeakPolarHBondContact O-CB 3.34Å; R948-A951 PolarHBondContact O-N 3.32Å; A951-L954 PolarHBondContact O-N 3.05Å; A951-N955 WeakPolarHBondContact O-CB 3.5Å; A951-N955 PolarHBondContact O-N 3.37Å; A951-N955 PolarHBondContact O-ND2 3.05Å |
| 952 | A | 94.9 | Very high | 92.9 | Very high | 48 Ų | 48 | 35.1 Ų | 35.1 | 40% | 0.397 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -61.6 | -45.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R948 L949 R956 | R948-A952 WeakPolarHBondContact O-CB 3.42Å; R948-A952 PolarHBondContact O-N 3.39Å; L949-A952 PolarHBondContact O-N 2.91Å; A952-R956 WeakPolarHBondContact O-CB 3.3Å; A952-R956 PolarHBondContact O-N 2.67Å |
| 953 | L | 94.3 | Very high | 93.2 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58 | -48 | 174 | 178 | 67.4 | 0 | 0 | 0 | 111.1 | V633 T668 L669 L949 N950 R956 D957 | V633-L953 HydrophobicContact CG1-CD1 4.04Å; T668-L953 HydrophobicContact CG2-CD2 4.41Å; L669-L953 HydrophobicContact CD2-CD2 4.27Å; L949-L953 WeakPolarHBondContact O-CB 3.08Å; L949-L953 PolarHBondContact O-N 3.37Å; N950-L953 PolarHBondContact O-N 2.76Å; L953-R956 VanDerWaalsContact CD1-NH2 3.34Å; L953-R956 PolarHBondContact O-N 2.83Å; L953-D957 HydrophobicContact CD1-CB 4.48Å; L953-D957 WeakPolarHBondContact CD1-OD2 3.36Å; L953-D957 WeakPolarHBondContact O-CB 3.36Å; L953-D957 PolarHBondContact O-N 3.09Å |
| 954 | L | 94.1 | Very high | 93.7 | Very high | 17 Ų | 17 | 41.4 Ų | 41.4 | 9% | 0.089 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.8 | -50.6 | -179.5 | -175.8 | 62.6 | 0 | 0 | 0 | 111.8 | C672 R675 V676 C914 N950 A951 R956 A958 | C672-L954 HydrophobicContact CB-CB 4.34Å; C672-L954 HydrophobicContact CB-CD1 4.08Å; C672-L954 VanDerWaalsContact O-CD1 3.27Å; C672-L954 WeakPolarHBondContact O-CD1 3.38Å; R675-L954 HydrophobicContact CB-CD2 4.32Å; V676-L954 HydrophobicContact CB-CD1 4.46Å; V676-L954 HydrophobicContact CG1-CD1 3.8Å; V676-L954 HydrophobicContact CG1-CD2 4.1Å; V676-L954 HydrophobicContact CG1-CG 4.16Å; V676-L954 HydrophobicContact CG2-CD1 3.79Å; C914-L954 HydrophobicContact CB-CD2 4.3Å; N950-L954 VanDerWaalsContact O-CB 3.32Å; N950-L954 WeakPolarHBondContact O-CB 3.34Å; N950-L954 PolarHBondContact O-N 2.66Å; A951-L954 PolarHBondContact O-N 3.05Å; L954-R956 VanDerWaalsContact C-N 3.31Å; L954-R956 PolarHBondContact O-N 2.98Å; L954-A958 HydrophobicContact CD1-CB 4.15Å; L954-A958 WeakPolarHBondContact O-CB 3.22Å; L954-A958 PolarHBondContact O-N 3.38Å; L954-A958 VanDerWaalsContact O-N 3.09Å |
| 955 | N | 94.3 | Very high | 93.9 | Very high | 122 Ų | 122 | 41.8 Ų | 41.8 | 65% | 0.652 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -62.7 | -37.8 | -178 | -71.5 | -21.4 | 0 | 0 | 0 | 112.2 | A951 | A951-N955 WeakPolarHBondContact O-CB 3.5Å; A951-N955 PolarHBondContact O-N 3.37Å; A951-N955 PolarHBondContact O-ND2 3.05Å |
| 956 | R | 94.8 | Very high | 93.8 | Very high | 88 Ų | 88 | 46.3 Ų | 46.3 | 33% | 0.332 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -78.7 | -41.2 | -178.4 | -173.6 | -172.6 | 64.5 | -139.3 | -2.8 | 112.9 | V633 G636 A952 L953 L954 | V633-R956 PolarHBondContact O-NH2 3.42Å; G636-R956 VanDerWaalsContact N-NH1 3.14Å; A952-R956 WeakPolarHBondContact O-CB 3.3Å; A952-R956 PolarHBondContact O-N 2.67Å; L953-R956 VanDerWaalsContact CD1-NH2 3.34Å; L953-R956 PolarHBondContact O-N 2.83Å; L954-R956 VanDerWaalsContact C-N 3.31Å; L954-R956 PolarHBondContact O-N 2.98Å |
| 957 | D | 95.2 | Very high | 93.6 | Very high | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -106.6 | -21.2 | -164.8 | -71.2 | -87.4 | 0 | 0 | 0 | 115.4 | S640 L953 V959 N960 I961 | S640-D957 WeakPolarHBondContact CB-OD1 3.39Å; S640-D957 PolarHBondContact N-OD1 3.02Å; S640-D957 VanDerWaalsContact N-OD1 3.12Å; S640-D957 WeakPolarHBondContact OG-CB 3.4Å; S640-D957 VanDerWaalsContact OG-CG 3.29Å; S640-D957 PolarHBondContact OG-OD1 2.99Å; L953-D957 HydrophobicContact CD1-CB 4.48Å; L953-D957 WeakPolarHBondContact CD1-OD2 3.36Å; L953-D957 WeakPolarHBondContact O-CB 3.36Å; L953-D957 PolarHBondContact O-N 3.09Å; D957-V959 VanDerWaalsContact C-N 3.29Å; D957-V959 PolarHBondContact O-N 3.37Å; D957-V959 VanDerWaalsContact O-N 3.16Å; D957-N960 PolarHBondContact O-N 3.11Å; D957-N960 VanDerWaalsContact O-N 3.07Å; D957-I961 HydrophobicContact CB-CD1 3.86Å; D957-I961 HydrophobicContact CB-CG1 4.29Å; D957-I961 WeakPolarHBondContact O-CG1 3.2Å; D957-I961 PolarHBondContact O-N 3.12Å |
| 958 | A | 94.1 | Very high | 92.7 | Very high | 16 Ų | 16 | 51.8 Ų | 51.8 | 13% | 0.132 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -54.2 | -42.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | V676 L954 K962 | V676-A958 HydrophobicContact CG2-CB 4.29Å; L954-A958 HydrophobicContact CD1-CB 4.15Å; L954-A958 WeakPolarHBondContact O-CB 3.22Å; L954-A958 PolarHBondContact O-N 3.38Å; L954-A958 VanDerWaalsContact O-N 3.09Å; A958-K962 WeakPolarHBondContact O-CB 3.39Å; A958-K962 PolarHBondContact O-N 3.32Å |
| 959 | V | 94.7 | Very high | 91.3 | Very high | 93 Ų | 93 | 54.7 Ų | 54.7 | 56% | 0.564 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -64.9 | -45.6 | 179.6 | 177.8 | 0 | 0 | 0 | 0 | 111.2 | D957 K962 Q963 | D957-V959 VanDerWaalsContact C-N 3.29Å; D957-V959 PolarHBondContact O-N 3.37Å; D957-V959 VanDerWaalsContact O-N 3.16Å; V959-K962 WeakPolarHBondContact O-CB 3.41Å; V959-K962 PolarHBondContact O-N 2.99Å; V959-Q963 WeakPolarHBondContact O-CG 3.47Å; V959-Q963 PolarHBondContact O-N 2.85Å |
| 960 | N | 95 | Very high | 89.9 | Confident | 71 Ų | 71 | 56.3 Ų | 56.3 | 38% | 0.38 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -69 | -39.3 | -178.6 | -67 | -25.3 | 0 | 0 | 0 | 111.6 | T641 D957 Q963 W964 | T641-N960 HydrophobicContact CG2-CB 3.98Å; T641-N960 WeakPolarHBondContact CG2-O 3.31Å; D957-N960 PolarHBondContact O-N 3.11Å; D957-N960 VanDerWaalsContact O-N 3.07Å; N960-Q963 PolarHBondContact O-N 3.29Å; N960-W964 WeakPolarHBondContact O-CB 3.32Å; N960-W964 PolarHBondContact O-N 2.8Å |
| 961 | I | 95.5 | Very high | 87.4 | Confident | 3 Ų | 3 | 61.2 Ų | 61.2 | 2% | 0.015 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 173.7 | -67.4 | 171.5 | 0 | 0 | 0 | 110.2 | S640 L644 L669 L673 D957 Q963 W964 L965 | S640-I961 VanDerWaalsContact OG-CG1 3.3Å; S640-I961 WeakPolarHBondContact OG-CG1 3.23Å; L644-I961 HydrophobicContact CD1-CG1 4.14Å; L644-I961 HydrophobicContact CD1-CG2 4.3Å; L669-I961 HydrophobicContact CD2-CD1 4.25Å; L673-I961 HydrophobicContact CD1-CD1 4.44Å; L673-I961 HydrophobicContact CD1-CG2 3.99Å; L673-I961 HydrophobicContact CD2-CD1 4.18Å; L673-I961 HydrophobicContact CD2-CG2 4.21Å; D957-I961 HydrophobicContact CB-CD1 3.86Å; D957-I961 HydrophobicContact CB-CG1 4.29Å; D957-I961 WeakPolarHBondContact O-CG1 3.2Å; D957-I961 PolarHBondContact O-N 3.12Å; I961-Q963 PolarHBondContact O-N 2.83Å; I961-W964 PolarHBondContact O-N 3.39Å; I961-L965 HydrophobicContact CG2-CD1 3.74Å; I961-L965 HydrophobicContact CG2-CG 4.15Å; I961-L965 WeakPolarHBondContact O-CB 3.47Å; I961-L965 VanDerWaalsContact O-CG 3.27Å; I961-L965 WeakPolarHBondContact O-CG 3.32Å; I961-L965 PolarHBondContact O-N 3.1Å |
| 962 | K | 94.9 | Very high | 84.5 | Confident | 111 Ų | 111 | 71.1 Ų | 71.1 | 48% | 0.483 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -57.9 | -46.8 | 176.1 | -177.1 | 179.3 | -176.6 | 176.7 | 0 | 111.8 | L678 A958 V959 L965 N966 | L678-K962 HydrophobicContact CD1-CB 3.98Å; L678-K962 HydrophobicContact CD2-CB 3.97Å; L678-K962 HydrophobicContact CD2-CD 4.03Å; L678-K962 HydrophobicContact CD2-CG 3.78Å; A958-K962 WeakPolarHBondContact O-CB 3.39Å; A958-K962 PolarHBondContact O-N 3.32Å; V959-K962 WeakPolarHBondContact O-CB 3.41Å; V959-K962 PolarHBondContact O-N 2.99Å; K962-L965 PolarHBondContact O-N 3.38Å; K962-N966 VanDerWaalsContact O-CG 3.22Å; K962-N966 PolarHBondContact O-N 3.1Å; K962-N966 PolarHBondContact O-OD1 3.12Å |
| 963 | Q | 93.9 | Very high | 81.7 | Confident | 110 Ų | 110 | 76.2 Ų | 76.2 | 51% | 0.514 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 176.9 | -70.7 | 175.9 | -0.4 | 0 | 0 | 111.8 | V959 N960 I961 N966 N967 | V959-Q963 WeakPolarHBondContact O-CG 3.47Å; V959-Q963 PolarHBondContact O-N 2.85Å; N960-Q963 PolarHBondContact O-N 3.29Å; I961-Q963 PolarHBondContact O-N 2.83Å; Q963-N966 PolarHBondContact O-N 2.73Å; Q963-N967 PolarHBondContact O-N 3.36Å |
| 964 | W | 94.4 | Very high | 81 | Confident | 30 Ų | 30 | 79.9 Ų | 79.9 | 11% | 0.114 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 177.3 | -176.1 | 94 | 0 | 0 | 0 | 112.3 | T641 L644 T645 F685 N960 I961 N966 N967 A968 F970 | T641-W964 HydrophobicContact CG2-CB 3.76Å; T641-W964 HydrophobicContact CG2-CG 4.14Å; L644-W964 HydrophobicContact CB-CD2 4.26Å; L644-W964 HydrophobicContact CB-CE3 4.37Å; L644-W964 HydrophobicContact CB-CH2 3.89Å; L644-W964 HydrophobicContact CB-CZ2 3.75Å; L644-W964 HydrophobicContact CB-CZ3 4.2Å; L644-W964 HydrophobicContact CD1-CD2 4.25Å; L644-W964 HydrophobicContact CD1-CE3 3.94Å; L644-W964 HydrophobicContact CD1-CZ3 4.18Å; T645-W964 PolarHBondContact OG1-NE1 2.74Å; F685-W964 AromaticContact CD2-CH2 3.88Å; F685-W964 HydrophobicContact CD2-CH2 3.88Å; F685-W964 HydrophobicContact CD2-CZ3 4.05Å; F685-W964 AromaticContact CE2-CH2 3.74Å; F685-W964 HydrophobicContact CE2-CH2 3.74Å; F685-W964 HydrophobicContact CE2-CZ3 4.28Å; F685-W964 HydrophobicContact CG-CH2 4.46Å; F685-W964 HydrophobicContact CG-CZ3 4.2Å; F685-W964 HydrophobicContact CZ-CH2 4.22Å; N960-W964 WeakPolarHBondContact O-CB 3.32Å; N960-W964 PolarHBondContact O-N 2.8Å; I961-W964 PolarHBondContact O-N 3.39Å; W964-N966 PolarHBondContact O-N 3.3Å; W964-N967 PolarHBondContact O-N 2.77Å; W964-A968 VanDerWaalsContact O-CB 3.31Å; W964-A968 WeakPolarHBondContact O-CB 3.47Å; W964-A968 PolarHBondContact O-N 3.36Å; W964-F970 HydrophobicContact CZ3-CZ 4.02Å |
| 965 | L | 93.3 | Very high | 80.3 | Confident | 9 Ų | 9 | 83.2 Ų | 83.2 | 5% | 0.047 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -64.5 | -37.6 | 176.6 | -71.6 | 170.2 | 0 | 0 | 0 | 112.2 | F682 F685 I961 K962 F970 | F682-L965 HydrophobicContact CB-CD1 4.26Å; F682-L965 HydrophobicContact CD2-CD1 4.41Å; F682-L965 HydrophobicContact CD2-CD2 4.45Å; F685-L965 HydrophobicContact CB-CD2 3.85Å; F685-L965 HydrophobicContact CG-CD2 4.48Å; I961-L965 HydrophobicContact CG2-CD1 3.74Å; I961-L965 HydrophobicContact CG2-CG 4.15Å; I961-L965 WeakPolarHBondContact O-CB 3.47Å; I961-L965 VanDerWaalsContact O-CG 3.27Å; I961-L965 WeakPolarHBondContact O-CG 3.32Å; I961-L965 PolarHBondContact O-N 3.1Å; K962-L965 PolarHBondContact O-N 3.38Å; L965-F970 HydrophobicContact CD2-CE2 4.12Å; L965-F970 HydrophobicContact CD2-CZ 3.97Å; L965-F970 WeakPolarHBondContact O-CE2 3.43Å |
| 966 | N | 89.1 | Confident | 79.6 | Confident | 111 Ų | 111 | 81.1 Ų | 81.1 | 59% | 0.594 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -69.3 | -34.8 | 177.2 | -72 | -10 | 0 | 0 | 0 | 112.7 | K962 Q963 W964 | K962-N966 VanDerWaalsContact O-CG 3.22Å; K962-N966 PolarHBondContact O-N 3.1Å; K962-N966 PolarHBondContact O-OD1 3.12Å; Q963-N966 PolarHBondContact O-N 2.73Å; W964-N966 PolarHBondContact O-N 3.3Å |
| 967 | N | 85.4 | Confident | 78.7 | Confident | 137 Ų | 137 | 80.6 Ų | 80.6 | 73% | 0.733 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -83.5 | -16.1 | 179.8 | -68.8 | -13.2 | 0 | 0 | 0 | 112.9 | Q963 W964 T969 | Q963-N967 PolarHBondContact O-N 3.36Å; W964-N967 PolarHBondContact O-N 2.77Å; N967-T969 PolarHBondContact O-N 2.7Å |
| 968 | A | 74.5 | Confident | 77.6 | Confident | 14 Ų | 14 | 85.4 Ų | 85.4 | 12% | 0.116 | 48% | 0.477 | C | S | . | . | S | Bend | trans | -79 | 112.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110 | W964 F970 | W964-A968 VanDerWaalsContact O-CB 3.31Å; W964-A968 WeakPolarHBondContact O-CB 3.47Å; W964-A968 PolarHBondContact O-N 3.36Å; A968-F970 VanDerWaalsContact C-N 3.3Å; A968-F970 HydrophobicContact CB-CD1 4.3Å; A968-F970 HydrophobicContact CB-CD2 4.27Å; A968-F970 HydrophobicContact CB-CE1 3.55Å; A968-F970 HydrophobicContact CB-CE2 3.55Å; A968-F970 HydrophobicContact CB-CZ 3.13Å; A968-F970 WeakPolarHBondContact O-CD2 3.4Å; A968-F970 PolarHBondContact O-N 2.83Å |
| 969 | T | 64.5 | Low | 76.5 | Confident | 138 Ų | 138 | 90.1 Ų | 90.1 | 85% | 0.847 | 50% | 0.499 | S | S | * | . | trans | -70.4 | 88.9 | 167 | 12.3 | 0 | 0 | 0 | 0 | 109.1 | N967 T971 | N967-T969 PolarHBondContact O-N 2.7Å; T969-T971 PolarHBondContact O-N 3.09Å | ||
| 970 | F | 64.5 | Low | 75.3 | Confident | 49 Ų | 49 | 89.9 Ų | 89.9 | 22% | 0.215 | 50% | 0.495 | C | S | . | . | trans | -81.2 | 101.3 | 160.7 | -45.5 | -65.1 | 0 | 0 | 0 | 105.8 | F685 H688 W964 L965 A968 K972 | F685-F970 HydrophobicContact CB-CE1 3.86Å; F685-F970 HydrophobicContact CB-CE2 4.24Å; F685-F970 HydrophobicContact CB-CZ 3.65Å; F685-F970 HydrophobicContact CD2-CD1 4.47Å; F685-F970 AromaticContact CD2-CE1 3.59Å; F685-F970 HydrophobicContact CD2-CE1 3.59Å; F685-F970 HydrophobicContact CD2-CZ 4.04Å; F685-F970 HydrophobicContact CG-CE1 4.17Å; F685-F970 HydrophobicContact CG-CZ 4.23Å; H688-F970 HydrophobicContact CB-CD1 4.41Å; W964-F970 HydrophobicContact CZ3-CZ 4.02Å; L965-F970 HydrophobicContact CD2-CE2 4.12Å; L965-F970 HydrophobicContact CD2-CZ 3.97Å; L965-F970 WeakPolarHBondContact O-CE2 3.43Å; A968-F970 VanDerWaalsContact C-N 3.3Å; A968-F970 HydrophobicContact CB-CD1 4.3Å; A968-F970 HydrophobicContact CB-CD2 4.27Å; A968-F970 HydrophobicContact CB-CE1 3.55Å; A968-F970 HydrophobicContact CB-CE2 3.55Å; A968-F970 HydrophobicContact CB-CZ 3.13Å; A968-F970 WeakPolarHBondContact O-CD2 3.4Å; A968-F970 PolarHBondContact O-N 2.83Å; F970-K972 PolarHBondContact O-N 3.29Å | ||
| 971 | T | 40 | Very low | 73.7 | Confident | 110 Ų | 110 | 91.3 Ų | 91.3 | 68% | 0.675 | 50% | 0.504 | S | S | * | . | trans | -53 | 119.5 | 167.3 | 26.5 | 0 | 0 | 0 | 0 | 107.3 | T969 A973 | T969-T971 PolarHBondContact O-N 3.09Å; T971-A973 PolarHBondContact O-N 3.15Å | ||
| 972 | K | 33.9 | Very low | 71.9 | Confident | 209 Ų | 209 | 98.7 Ų | 98.7 | 91% | 0.909 | 54% | 0.544 | S | S | * | . | trans | -56.1 | 110.6 | 161.1 | -87.6 | -174.8 | 173.4 | -176.9 | 0 | 105 | F970 | F970-K972 PolarHBondContact O-N 3.29Š| ||
| 973 | A | 34.7 | Very low | 69.8 | Low | 156 Ų | 156 | 97.5 Ų | 97.5 | 100% | 1.289 | 55% | 0.55 | S | S | * | * | trans | -67.2 | 0 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | T971 | T971-A973 PolarHBondContact O-N 3.15Š|
Retrieved 973 of 973 residues in 1695.8 ms
(Link to these results)