| 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 | 51.5 | Low | 62.1 | Low | 196 Ų | 196 | 118.4 Ų | 118.4 | 97% | 0.966 | 63% | 0.634 | S | S | * | * | 0 | -56.7 | 0 | -157.8 | 171.1 | 163.3 | 0 | 0 | 111.8 | I3 V4 V5 | M1-I3 PolarHBondContact O-N 3.37Å; M1-V4 PolarHBondContact O-N 3.41Å; M1-V4 VanDerWaalsContact O-N 3.13Å; M1-V5 PolarHBondContact O-N 3.5Å; M1-V5 VanDerWaalsContact O-N 3.09Å | |||
| 2 | F | 62.9 | Low | 60.6 | Low | 192 Ų | 192 | 117.3 Ų | 117.3 | 84% | 0.842 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -54.5 | -41.6 | 176 | -98.4 | -85.6 | 0 | 0 | 0 | 114.9 | V4 V5 A6 | F2-V4 VanDerWaalsContact C-N 3.34Å; F2-V4 PolarHBondContact O-N 2.76Å; F2-V5 PolarHBondContact O-N 3.31Å; F2-A6 WeakPolarHBondContact O-CB 3.38Å; F2-A6 PolarHBondContact O-N 3.12Å |
| 3 | I | 70.7 | Confident | 59.1 | Low | 136 Ų | 136 | 113.8 Ų | 113.8 | 70% | 0.697 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -65.8 | -36 | 178.6 | -61.1 | 176.7 | 0 | 0 | 0 | 111.8 | M1 A6 F7 | M1-I3 PolarHBondContact O-N 3.37Å; I3-A6 PolarHBondContact O-N 3.25Å; I3-F7 WeakPolarHBondContact O-CB 3.33Å; I3-F7 PolarHBondContact O-N 2.95Å |
| 4 | V | 74.1 | Confident | 58.1 | Low | 91 Ų | 91 | 112 Ų | 112 | 55% | 0.552 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -71.5 | -39.2 | 178.5 | 178.9 | 0 | 0 | 0 | 0 | 110.7 | M1 F2 F7 H8 | M1-V4 PolarHBondContact O-N 3.41Å; M1-V4 VanDerWaalsContact O-N 3.13Å; F2-V4 VanDerWaalsContact C-N 3.34Å; F2-V4 PolarHBondContact O-N 2.76Å; V4-F7 PolarHBondContact O-N 3.31Å; V4-H8 WeakPolarHBondContact O-CB 3.45Å; V4-H8 PolarHBondContact O-N 2.88Å |
| 5 | V | 74.3 | Confident | 57.3 | Low | 89 Ų | 89 | 113.3 Ų | 113.3 | 54% | 0.539 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -66 | -40.2 | 174 | 177.1 | 0 | 0 | 0 | 0 | 111 | M1 F2 H8 A9 | M1-V5 PolarHBondContact O-N 3.5Å; M1-V5 VanDerWaalsContact O-N 3.09Å; F2-V5 PolarHBondContact O-N 3.31Å; V5-H8 PolarHBondContact O-N 2.84Å; V5-A9 VanDerWaalsContact O-CB 3.28Å; V5-A9 WeakPolarHBondContact O-CB 3.4Å; V5-A9 PolarHBondContact O-N 3.36Å |
| 6 | A | 69 | Low | 57.1 | Low | 47 Ų | 47 | 113.6 Ų | 113.6 | 39% | 0.388 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -66 | -40.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F2 I3 A9 L10 | F2-A6 WeakPolarHBondContact O-CB 3.38Å; F2-A6 PolarHBondContact O-N 3.12Å; I3-A6 PolarHBondContact O-N 3.25Å; A6-A9 PolarHBondContact O-N 3.43Å; A6-L10 WeakPolarHBondContact O-CB 3.46Å; A6-L10 WeakPolarHBondContact O-CD1 3.46Å; A6-L10 WeakPolarHBondContact O-CG 3.5Å; A6-L10 PolarHBondContact O-N 3.38Å |
| 7 | F | 66.3 | Low | 57.1 | Low | 150 Ų | 150 | 109.4 Ų | 109.4 | 66% | 0.658 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -65.4 | -40.6 | 174.4 | -123.3 | -87.2 | 0 | 0 | 0 | 111.7 | I3 V4 L10 S11 | I3-F7 WeakPolarHBondContact O-CB 3.33Å; I3-F7 PolarHBondContact O-N 2.95Å; V4-F7 PolarHBondContact O-N 3.31Å; F7-L10 PolarHBondContact O-N 3.35Å; F7-S11 WeakPolarHBondContact O-CB 3.39Å; F7-S11 PolarHBondContact O-N 3.36Å; F7-S11 PolarHBondContact O-OG 3.29Å; F7-S11 VanDerWaalsContact O-OG 3.05Å |
| 8 | H | 55.4 | Low | 58.5 | Low | 124 Ų | 124 | 107.6 Ų | 107.6 | 57% | 0.574 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.5 | -39.2 | 172.8 | -82.6 | 22.6 | 0 | 0 | 0 | 112.1 | V4 V5 S11 L12 | V4-H8 WeakPolarHBondContact O-CB 3.45Å; V4-H8 PolarHBondContact O-N 2.88Å; V5-H8 PolarHBondContact O-N 2.84Å; H8-S11 VanDerWaalsContact CA-OG 3.32Å; H8-S11 WeakPolarHBondContact CA-OG 3.06Å; H8-S11 CarbonylContact O-C 3.56Å; H8-S11 PolarHBondContact O-N 2.88Å; H8-S11 PolarHBondContact O-OG 2.93Å; H8-L12 VanDerWaalsContact O-CB 3.25Å; H8-L12 WeakPolarHBondContact O-CB 3.35Å; H8-L12 VanDerWaalsContact O-CD1 3.25Å; H8-L12 WeakPolarHBondContact O-CD1 3.46Å; H8-L12 WeakPolarHBondContact O-CG 3.44Å; H8-L12 PolarHBondContact O-N 2.79Å |
| 9 | A | 56.5 | Low | 60.2 | Low | 57 Ų | 57 | 102.3 Ų | 102.3 | 47% | 0.471 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.6 | -36.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V5 A6 L12 G13 | V5-A9 VanDerWaalsContact O-CB 3.28Å; V5-A9 WeakPolarHBondContact O-CB 3.4Å; V5-A9 PolarHBondContact O-N 3.36Å; A6-A9 PolarHBondContact O-N 3.43Å; A9-L12 PolarHBondContact O-N 3.28Å; A9-G13 PolarHBondContact O-N 2.97Å |
| 10 | L | 53 | Low | 62 | Low | 143 Ų | 143 | 97.2 Ų | 97.2 | 75% | 0.749 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -72.2 | -34.2 | 174.2 | -79.8 | 155.7 | 0 | 0 | 0 | 111.9 | A6 F7 L12 G13 | A6-L10 WeakPolarHBondContact O-CB 3.46Å; A6-L10 WeakPolarHBondContact O-CD1 3.46Å; A6-L10 WeakPolarHBondContact O-CG 3.5Å; A6-L10 PolarHBondContact O-N 3.38Å; F7-L10 PolarHBondContact O-N 3.35Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-G13 PolarHBondContact O-N 3Å |
| 11 | S | 49.4 | Very low | 63.7 | Low | 77 Ų | 77 | 92.6 Ų | 92.6 | 54% | 0.538 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -76.9 | -18.6 | 170.7 | 63.1 | 0 | 0 | 0 | 0 | 113.8 | F7 H8 G13 | F7-S11 WeakPolarHBondContact O-CB 3.39Å; F7-S11 PolarHBondContact O-N 3.36Å; F7-S11 PolarHBondContact O-OG 3.29Å; F7-S11 VanDerWaalsContact O-OG 3.05Å; H8-S11 VanDerWaalsContact CA-OG 3.32Å; H8-S11 WeakPolarHBondContact CA-OG 3.06Å; H8-S11 CarbonylContact O-C 3.56Å; H8-S11 PolarHBondContact O-N 2.88Å; H8-S11 PolarHBondContact O-OG 2.93Å; S11-G13 PolarHBondContact O-N 3.36Å |
| 12 | L | 43.9 | Very low | 65.9 | Low | 106 Ų | 106 | 83.2 Ų | 83.2 | 56% | 0.555 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -77.7 | -6.5 | 171.4 | -80.1 | 159.4 | 0 | 0 | 0 | 112.4 | H8 A9 L10 S14 I15 | H8-L12 VanDerWaalsContact O-CB 3.25Å; H8-L12 WeakPolarHBondContact O-CB 3.35Å; H8-L12 VanDerWaalsContact O-CD1 3.25Å; H8-L12 WeakPolarHBondContact O-CD1 3.46Å; H8-L12 WeakPolarHBondContact O-CG 3.44Å; H8-L12 PolarHBondContact O-N 2.79Å; A9-L12 PolarHBondContact O-N 3.28Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L12-S14 PolarHBondContact O-N 3.1Å; L12-I15 HydrophobicContact CD2-CG1 4.48Å; L12-I15 PolarHBondContact O-N 3.16Å |
| 13 | G | 41.4 | Very low | 67.6 | Low | 71 Ų | 71 | 74.1 Ų | 74.1 | 73% | 0.732 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -62.7 | -9.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | A9 L10 S11 | A9-G13 PolarHBondContact O-N 2.97Å; L10-G13 PolarHBondContact O-N 3Å; S11-G13 PolarHBondContact O-N 3.36Å |
| 14 | S | 44.7 | Very low | 68.9 | Low | 89 Ų | 89 | 68.9 Ų | 68.9 | 62% | 0.622 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -132 | 67.9 | 167.6 | 63.4 | 0 | 0 | 0 | 0 | 109.9 | L12 E16 | L12-S14 PolarHBondContact O-N 3.1Å; S14-E16 PolarHBondContact O-N 3.49Å |
| 15 | I | 46.6 | Very low | 69.9 | Low | 132 Ų | 132 | 65.3 Ų | 65.3 | 68% | 0.677 | 38% | 0.384 | S | S | * | . | trans | -57.3 | 101.7 | 144 | -67.4 | 162.1 | 0 | 0 | 0 | 103.5 | L12 A17 | L12-I15 HydrophobicContact CD2-CG1 4.48Å; L12-I15 PolarHBondContact O-N 3.16Å; I15-A17 VanDerWaalsContact C-N 3.3Å; I15-A17 PolarHBondContact O-N 2.94Å | ||
| 16 | E | 53.8 | Low | 70.9 | Confident | 118 Ų | 118 | 62.2 Ų | 62.2 | 55% | 0.551 | 37% | 0.371 | S | S | * | . | trans | -51.6 | 106.1 | 167.4 | -74 | -170.4 | 164.3 | 0 | 0 | 104.8 | S14 I18 K155 | S14-E16 PolarHBondContact O-N 3.49Å; E16-I18 PolarHBondContact O-N 2.87Å; E16-I18 VanDerWaalsContact O-N 3.16Å; E16-K155 IonicContact OE1-NZ 3.47Å; E16-K155 PolarHBondContact OE1-NZ 3.3Å; E16-K155 IonicContact OE2-NZ 3.98Å; E16-K155 PolarHBondContact OE2-NZ 3.35Å | ||
| 17 | A | 58 | Low | 72.1 | Confident | 42 Ų | 42 | 61.1 Ų | 61.1 | 35% | 0.347 | 36% | 0.359 | S | S | . | . | trans | -56.3 | 127.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | I15 S19 P37 | I15-A17 VanDerWaalsContact C-N 3.3Å; I15-A17 PolarHBondContact O-N 2.94Å; A17-S19 VanDerWaalsContact C-N 3.25Å; A17-S19 PolarHBondContact O-N 3.28Å; A17-S19 PolarHBondContact O-OG 3.4Å; A17-P37 HydrophobicContact CB-CG 4.29Å | ||
| 18 | I | 81.4 | Confident | 73.5 | Confident | 76 Ų | 76 | 57 Ų | 57 | 39% | 0.39 | 34% | 0.342 | S | S | . | . | trans | -66.1 | 92.8 | 177.5 | -59 | 172 | 0 | 0 | 0 | 106.1 | E16 P37 T412 F415 | E16-I18 PolarHBondContact O-N 2.87Å; E16-I18 VanDerWaalsContact O-N 3.16Å; I18-P37 HydrophobicContact CB-CG 4.48Å; I18-P37 VanDerWaalsContact O-CD 3.25Å; I18-P37 WeakPolarHBondContact O-CD 3.41Å; I18-P37 VanDerWaalsContact O-CG 3.28Å; I18-P37 WeakPolarHBondContact O-CG 3.38Å; I18-T412 HydrophobicContact CG2-CG2 3.29Å; I18-F415 HydrophobicContact CG2-CD2 4.16Å; I18-F415 HydrophobicContact CG2-CE2 3.81Å; I18-F415 HydrophobicContact CG2-CZ 4.5Å; I18-F415 VanDerWaalsContact O-CE2 3.29Å; I18-F415 WeakPolarHBondContact O-CE2 3.16Å; I18-F415 WeakPolarHBondContact O-CZ 3.44Å | ||
| 19 | S | 91.1 | Very high | 75.5 | Confident | 8 Ų | 8 | 54.2 Ų | 54.2 | 6% | 0.056 | 33% | 0.329 | C | S | . | . | trans | -122.1 | 135 | -177.1 | -64.3 | 0 | 0 | 0 | 0 | 108.8 | A17 V35 L36 S152 | A17-S19 VanDerWaalsContact C-N 3.25Å; A17-S19 PolarHBondContact O-N 3.28Å; A17-S19 PolarHBondContact O-OG 3.4Å; S19-V35 WeakPolarHBondContact CA-O 3.44Å; S19-L36 WeakPolarHBondContact OG-CD2 3.42Å; S19-S152 WeakPolarHBondContact CB-OG 3.44Å; S19-S152 PolarHBondContact OG-OG 3.29Å | ||
| 20 | S | 95.6 | Very high | 77.4 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 159.9 | 176.4 | -161.1 | 0 | 0 | 0 | 0 | 109.5 | V35 T156 | S20-V35 PolarHBondContact N-O 3.41Å; S20-V35 WeakPolarHBondContact O-CG1 3.46Å; S20-V35 PolarHBondContact O-N 2.82Å; S20-T156 WeakPolarHBondContact CB-OG1 3.16Å; S20-T156 PolarHBondContact OG-O 3.32Å; S20-T156 PolarHBondContact OG-OG1 2.99Å |
| 21 | M | 97.7 | Very high | 79.5 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 171.6 | 177.1 | 66.2 | -174.3 | -69.3 | 0 | 0 | 112.1 | I23 V32 A33 V34 A142 H143 A146 I154 T156 C157 V158 L182 | M21-I23 HydrophobicContact CE-CD1 3.85Å; M21-I23 HydrophobicContact CE-CG1 3.52Å; M21-V32 HydrophobicContact CE-CB 4.41Å; M21-V32 HydrophobicContact CE-CG1 3.52Å; M21-V32 HydrophobicContact CE-CG2 3.95Å; M21-A33 CarbonylContact C-O 3.58Å; M21-A33 WeakPolarHBondContact CA-O 3.44Å; M21-A33 WeakPolarHBondContact CB-O 3.47Å; M21-V34 HydrophobicContact CB-CG1 4.31Å; M21-A142 HydrophobicContact CE-CB 4.36Å; M21-H143 HydrophobicContact SD-CB 4.42Å; M21-A146 HydrophobicContact CE-CB 3.78Å; M21-A146 HydrophobicContact SD-CB 4.07Å; M21-I154 HydrophobicContact CB-CD1 4.45Å; M21-I154 HydrophobicContact CB-CG2 3.98Å; M21-I154 HydrophobicContact CG-CG2 3.77Å; M21-I154 HydrophobicContact SD-CG2 3.97Å; M21-T156 PolarHBondContact N-O 3.43Å; M21-T156 VanDerWaalsContact N-O 3.12Å; M21-C157 HydrophobicContact CG-CB 3.62Å; M21-C157 CarbonylContact O-C 3.58Å; M21-C157 WeakPolarHBondContact O-CA 3.32Å; M21-V158 PolarHBondContact O-N 3.02Å; M21-L182 HydrophobicContact SD-CD2 4.5Å |
| 22 | S | 98.7 | Very high | 81.9 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 151.3 | 158.6 | 66 | 0 | 0 | 0 | 0 | 110.5 | V32 A33 V158 A401 | S22-V32 VanDerWaalsContact O-CA 3.27Å; S22-V32 WeakPolarHBondContact O-CA 3.3Å; S22-A33 PolarHBondContact N-O 2.84Å; S22-A33 PolarHBondContact O-N 3.24Å; S22-A33 WeakPolarHBondContact OG-CB 3.47Å; S22-V158 CarbonylContact C-O 3.58Å; S22-V158 WeakPolarHBondContact CA-O 3.36Å; S22-V158 WeakPolarHBondContact CB-O 3.48Å; S22-A401 PolarHBondContact OG-O 2.6Å |
| 23 | I | 98.6 | Very high | 84.5 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 111.8 | 170.1 | -52.7 | 177.4 | 0 | 0 | 0 | 107.2 | M21 L25 M30 K31 V32 F139 A142 V158 L159 T160 L182 | M21-I23 HydrophobicContact CE-CD1 3.85Å; M21-I23 HydrophobicContact CE-CG1 3.52Å; I23-L25 HydrophobicContact CG2-CB 4.44Å; I23-L25 PolarHBondContact O-N 2.9Å; I23-M30 HydrophobicContact CG2-CG 3.77Å; I23-M30 HydrophobicContact CG2-SD 3.65Å; I23-K31 WeakPolarHBondContact CA-O 3.46Å; I23-V32 HydrophobicContact CG1-CG2 4.31Å; I23-F139 HydrophobicContact CD1-CB 4.46Å; I23-F139 HydrophobicContact CD1-CD1 3.69Å; I23-F139 HydrophobicContact CD1-CE1 4.17Å; I23-F139 HydrophobicContact CD1-CG 4.26Å; I23-F139 HydrophobicContact CG2-CD1 4.2Å; I23-F139 HydrophobicContact CG2-CE1 4.06Å; I23-A142 HydrophobicContact CD1-CB 3.86Å; I23-A142 HydrophobicContact CG1-CB 4.25Å; I23-A142 HydrophobicContact CG2-CB 4.45Å; I23-V158 PolarHBondContact N-O 3.46Å; I23-L159 HydrophobicContact CB-CD2 3.75Å; I23-L159 HydrophobicContact CD1-CD2 4.05Å; I23-L159 HydrophobicContact CG1-CD2 4.11Å; I23-L159 WeakPolarHBondContact O-CA 3.46Å; I23-T160 PolarHBondContact O-N 2.98Å; I23-L182 HydrophobicContact CD1-CD1 3.9Å |
| 24 | D | 98.2 | Very high | 87.2 | Confident | 26 Ų | 26 | 33.1 Ų | 33.1 | 14% | 0.139 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 98.7 | 167.4 | 179.4 | 31.5 | 0 | 0 | 0 | 108.8 | G26 M30 K31 T160 A401 | D24-G26 PolarHBondContact O-N 3.15Å; D24-M30 CarbonylContact O-C 3.58Å; D24-M30 WeakPolarHBondContact O-CA 3.38Å; D24-K31 HydrophobicContact CB-CB 4.2Å; D24-K31 PolarHBondContact N-O 3.38Å; D24-K31 PolarHBondContact O-N 3.28Å; D24-T160 WeakPolarHBondContact CA-OG1 3.28Å; D24-T160 HydrophobicContact CB-CG2 4.04Å; D24-T160 PolarHBondContact OD1-OG1 3.12Å; D24-A401 HydrophobicContact CB-CB 3.94Å |
| 25 | L | 95.5 | Very high | 89.6 | Confident | 16 Ų | 16 | 29 Ų | 29 | 8% | 0.084 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 68.5 | -172.6 | -172.2 | 68.9 | 0 | 0 | 0 | 111 | I23 M30 T55 P86 V135 F139 T160 L173 | I23-L25 HydrophobicContact CG2-CB 4.44Å; I23-L25 PolarHBondContact O-N 2.9Å; L25-M30 HydrophobicContact CD1-CG 4.45Å; L25-M30 HydrophobicContact CD1-SD 4.09Å; L25-T55 HydrophobicContact CD1-CG2 4.23Å; L25-P86 HydrophobicContact CD1-CG 4.02Å; L25-P86 HydrophobicContact CD2-CB 3.91Å; L25-P86 HydrophobicContact CD2-CG 3.94Å; L25-P86 HydrophobicContact CG-CB 4.12Å; L25-P86 HydrophobicContact CG-CG 3.88Å; L25-V135 HydrophobicContact CD2-CG1 3.92Å; L25-F139 HydrophobicContact CB-CE1 4.45Å; L25-F139 HydrophobicContact CD1-CE1 4.16Å; L25-F139 HydrophobicContact CD2-CE1 3.78Å; L25-F139 HydrophobicContact CD2-CZ 3.92Å; L25-F139 HydrophobicContact CG-CE1 4.34Å; L25-T160 PolarHBondContact N-OG1 2.89Å; L25-L173 HydrophobicContact CD2-CD1 4.05Å |
| 26 | G | 94.6 | Very high | 91.9 | Very high | 25 Ų | 25 | 23.2 Ų | 23.2 | 26% | 0.258 | 13% | 0.127 | S | C | . | . | trans | -69.5 | 152.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D24 E28 F29 T55 | D24-G26 PolarHBondContact O-N 3.15Å; G26-E28 PolarHBondContact O-N 3.5Å; G26-F29 CarbonylContact C-O 3.53Å; G26-F29 WeakPolarHBondContact CA-O 3.27Å; G26-F29 PolarHBondContact N-O 3.18Å; G26-F29 VanDerWaalsContact N-O 3.13Å; G26-T55 WeakPolarHBondContact O-CB 3.32Å; G26-T55 WeakPolarHBondContact O-CG2 3.28Å; G26-T55 PolarHBondContact O-OG1 3.39Å | ||
| 27 | T | 94.7 | Very high | 93.5 | Very high | 24 Ų | 24 | 20.9 Ų | 20.9 | 15% | 0.147 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -59.3 | -41.7 | -179.7 | -60.8 | 0 | 0 | 0 | 0 | 113.4 | T55 S220 M221 | T27-T55 WeakPolarHBondContact O-CB 3.18Å; T27-S220 WeakPolarHBondContact CB-OG 3.35Å; T27-M221 HydrophobicContact CG2-CB 4.45Å; T27-M221 HydrophobicContact CG2-CG 3.69Å; T27-M221 HydrophobicContact CG2-SD 3.18Å; T27-M221 WeakPolarHBondContact CG2-SD 3.46Å |
| 28 | E | 95.4 | Very high | 95 | Very high | 62 Ų | 62 | 23.3 Ų | 23.3 | 29% | 0.29 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -97.2 | -34.2 | -178.3 | -176.2 | -179.3 | -159.9 | 0 | 0 | 112.1 | G26 S54 T55 S220 | G26-E28 PolarHBondContact O-N 3.5Å; E28-S54 CarbonylContact O-C 3.6Å; E28-S54 WeakPolarHBondContact O-CA 3.34Å; E28-T55 PolarHBondContact O-N 2.61Å; E28-S220 WeakPolarHBondContact CB-OG 3.35Å; E28-S220 WeakPolarHBondContact OE2-CB 3.49Å |
| 29 | F | 96.6 | Very high | 95.4 | Very high | 67 Ų | 67 | 25.4 Ų | 25.4 | 29% | 0.294 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 140.9 | -177.3 | -61.3 | -69.4 | 0 | 0 | 0 | 111 | G26 K52 T53 T55 | G26-F29 CarbonylContact C-O 3.53Å; G26-F29 WeakPolarHBondContact CA-O 3.27Å; G26-F29 PolarHBondContact N-O 3.18Å; G26-F29 VanDerWaalsContact N-O 3.13Å; F29-K52 HydrophobicContact CB-CD 3.69Å; F29-K52 HydrophobicContact CB-CG 3.62Å; F29-K52 HydrophobicContact CD1-CD 3.83Å; F29-K52 HydrophobicContact CD1-CG 3.69Å; F29-K52 HydrophobicContact CD2-CD 3.94Å; F29-K52 HydrophobicContact CE1-CD 4.47Å; F29-K52 HydrophobicContact CG-CD 3.54Å; F29-K52 HydrophobicContact CG-CG 3.73Å; F29-T53 CarbonylContact C-O 3.48Å; F29-T53 VanDerWaalsContact CA-O 3.25Å; F29-T53 WeakPolarHBondContact CA-O 3.12Å; F29-T55 WeakPolarHBondContact CA-OG1 3.5Å; F29-T55 PolarHBondContact N-OG1 2.76Å |
| 30 | M | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 145.4 | 171 | 179.8 | 177.3 | 66.3 | 0 | 0 | 109.5 | I23 D24 L25 T53 T55 Y141 A142 Y145 | I23-M30 HydrophobicContact CG2-CG 3.77Å; I23-M30 HydrophobicContact CG2-SD 3.65Å; D24-M30 CarbonylContact O-C 3.58Å; D24-M30 WeakPolarHBondContact O-CA 3.38Å; L25-M30 HydrophobicContact CD1-CG 4.45Å; L25-M30 HydrophobicContact CD1-SD 4.09Å; M30-T53 HydrophobicContact CE-CG2 4.34Å; M30-T53 PolarHBondContact N-O 3.19Å; M30-T53 PolarHBondContact O-N 2.75Å; M30-T55 PolarHBondContact N-OG1 3.17Å; M30-T55 VanDerWaalsContact N-OG1 3.09Å; M30-Y141 HydrophobicContact CE-CD1 4.3Å; M30-A142 HydrophobicContact CE-CB 3.66Å; M30-A142 HydrophobicContact SD-CB 3.78Å; M30-Y145 HydrophobicContact CE-CE1 4.4Å |
| 31 | K | 97.8 | Very high | 95.6 | Very high | 9 Ų | 9 | 32.9 Ų | 32.9 | 4% | 0.039 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 155.3 | 168.9 | -71.1 | -151.5 | -178.2 | 176.5 | 0 | 112 | I23 D24 R51 K52 D397 D398 A401 | I23-K31 WeakPolarHBondContact CA-O 3.46Å; D24-K31 HydrophobicContact CB-CB 4.2Å; D24-K31 PolarHBondContact N-O 3.38Å; D24-K31 PolarHBondContact O-N 3.28Å; K31-R51 VanDerWaalsContact CD-O 3.3Å; K31-R51 WeakPolarHBondContact CD-O 3.48Å; K31-R51 WeakPolarHBondContact CE-O 3.39Å; K31-K52 HydrophobicContact CG-CG 4.35Å; K31-D397 WeakPolarHBondContact CD-O 2.95Å; K31-D397 WeakPolarHBondContact CE-O 3.39Å; K31-D397 PolarHBondContact NZ-O 3.47Å; K31-D398 IonicContact NZ-OD1 3.37Å; K31-D398 PolarHBondContact NZ-OD1 3.23Å; K31-A401 HydrophobicContact CB-CB 4.09Å |
| 32 | V | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 135 | 178 | 170.1 | 0 | 0 | 0 | 0 | 108.9 | M21 S22 I23 I43 A44 A142 Y145 A146 | M21-V32 HydrophobicContact CE-CB 4.41Å; M21-V32 HydrophobicContact CE-CG1 3.52Å; M21-V32 HydrophobicContact CE-CG2 3.95Å; S22-V32 VanDerWaalsContact O-CA 3.27Å; S22-V32 WeakPolarHBondContact O-CA 3.3Å; I23-V32 HydrophobicContact CG1-CG2 4.31Å; V32-I43 CarbonylContact O-C 3.59Å; V32-I43 WeakPolarHBondContact O-CA 3.33Å; V32-I43 WeakPolarHBondContact O-CG2 3.49Å; V32-A44 HydrophobicContact CB-CB 4.37Å; V32-A44 HydrophobicContact CG1-CB 3.93Å; V32-A44 PolarHBondContact O-N 2.99Å; V32-A142 HydrophobicContact CG2-CB 3.7Å; V32-Y145 HydrophobicContact CB-CE2 3.73Å; V32-Y145 WeakPolarHBondContact CB-OH 3.34Å; V32-Y145 HydrophobicContact CG1-CE2 4.22Å; V32-Y145 HydrophobicContact CG2-CE2 3.92Å; V32-Y145 WeakPolarHBondContact CG2-OH 3.49Å; V32-A146 HydrophobicContact CG1-CB 3.79Å |
| 33 | A | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 152.8 | 168 | 0 | 0 | 0 | 0 | 0 | 109.8 | M21 S22 E42 I43 A401 L402 V405 | M21-A33 CarbonylContact C-O 3.58Å; M21-A33 WeakPolarHBondContact CA-O 3.44Å; M21-A33 WeakPolarHBondContact CB-O 3.47Å; S22-A33 PolarHBondContact N-O 2.84Å; S22-A33 PolarHBondContact O-N 3.24Å; S22-A33 WeakPolarHBondContact OG-CB 3.47Å; A33-E42 CarbonylContact C-O 3.55Å; A33-E42 WeakPolarHBondContact CA-O 3.29Å; A33-E42 WeakPolarHBondContact CB-O 3.5Å; A33-I43 HydrophobicContact CB-CD1 3.83Å; A33-A401 HydrophobicContact CB-CB 4.19Å; A33-L402 HydrophobicContact CB-CD2 4.36Å; A33-V405 HydrophobicContact CB-CB 3.81Å; A33-V405 HydrophobicContact CB-CG1 3.76Å; A33-V405 HydrophobicContact CB-CG2 4.23Å |
| 34 | V | 98 | Very high | 95.4 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 148.2 | 179.8 | -66.6 | 0 | 0 | 0 | 0 | 110.3 | M21 E42 A44 A146 Y149 I154 | M21-V34 HydrophobicContact CB-CG1 4.31Å; V34-E42 HydrophobicContact CG2-CG 4.05Å; V34-E42 PolarHBondContact N-O 3.29Å; V34-E42 PolarHBondContact O-N 3.24Å; V34-A44 HydrophobicContact CG1-CB 4.14Å; V34-A146 HydrophobicContact CG1-CB 4.05Å; V34-Y149 HydrophobicContact CG2-CD1 3.92Å; V34-Y149 HydrophobicContact CG2-CE1 3.97Å; V34-I154 HydrophobicContact CG1-CD1 3.94Å |
| 35 | V | 96.3 | Very high | 95.3 | Very high | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.024 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 125.3 | 167.7 | 62.3 | 0 | 0 | 0 | 0 | 108.7 | S19 S20 M41 V405 A409 F415 | S19-V35 WeakPolarHBondContact CA-O 3.44Å; S20-V35 PolarHBondContact N-O 3.41Å; S20-V35 WeakPolarHBondContact O-CG1 3.46Å; S20-V35 PolarHBondContact O-N 2.82Å; V35-M41 HydrophobicContact CB-CG 4.09Å; V35-M41 HydrophobicContact CG2-CE 4.34Å; V35-M41 HydrophobicContact CG2-CG 3.91Å; V35-V405 HydrophobicContact CB-CG2 3.94Å; V35-V405 HydrophobicContact CG1-CG2 3.98Å; V35-A409 HydrophobicContact CB-CB 4.48Å; V35-A409 HydrophobicContact CG1-CB 4.15Å; V35-A409 HydrophobicContact CG2-CB 4.01Å; V35-F415 HydrophobicContact CB-CZ 4.27Å; V35-F415 HydrophobicContact CG1-CE2 3.89Å; V35-F415 HydrophobicContact CG1-CZ 3.94Å; V35-F415 HydrophobicContact CG2-CD1 3.99Å; V35-F415 HydrophobicContact CG2-CE1 3.55Å; V35-F415 HydrophobicContact CG2-CE2 4.27Å; V35-F415 HydrophobicContact CG2-CZ 3.69Å |
| 36 | L | 93 | Very high | 95.2 | Very high | 10 Ų | 10 | 36.4 Ų | 36.4 | 5% | 0.052 | 22% | 0.221 | C | C | . | . | trans | -124.5 | 149.5 | -175.6 | -53.2 | 174.5 | 0 | 0 | 0 | 109.7 | S19 G38 K39 A150 | S19-L36 WeakPolarHBondContact OG-CD2 3.42Å; L36-G38 PolarHBondContact O-N 3.2Å; L36-K39 HydrophobicContact CB-CB 4.23Å; L36-K39 HydrophobicContact CB-CD 4.24Å; L36-K39 HydrophobicContact CD1-CD 3.97Å; L36-K39 PolarHBondContact O-N 3.45Å; L36-K39 VanDerWaalsContact O-N 3.16Å; L36-A150 HydrophobicContact CD1-CB 4.05Å; L36-A150 HydrophobicContact CD2-CB 3.65Å; L36-A150 HydrophobicContact CG-CB 4.46Å | ||
| 37 | P | 89.2 | Confident | 94.9 | Very high | 69 Ų | 69 | 39.3 Ų | 39.3 | 45% | 0.448 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 128.7 | 179 | -25.3 | 36 | 0 | 0 | 0 | 112 | A17 I18 K39 | A17-P37 HydrophobicContact CB-CG 4.29Å; I18-P37 HydrophobicContact CB-CG 4.48Å; I18-P37 VanDerWaalsContact O-CD 3.25Å; I18-P37 WeakPolarHBondContact O-CD 3.41Å; I18-P37 VanDerWaalsContact O-CG 3.28Å; I18-P37 WeakPolarHBondContact O-CG 3.38Å; P37-K39 PolarHBondContact O-N 2.87Å |
| 38 | G | 88.2 | Confident | 94.6 | Very high | 93 Ų | 93 | 41.2 Ų | 41.2 | 96% | 0.959 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 4.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | L36 | L36-G38 PolarHBondContact O-N 3.2Š|
| 39 | K | 91.3 | Very high | 94.5 | Very high | 119 Ų | 119 | 43.1 Ų | 43.1 | 52% | 0.517 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -116.3 | 149.4 | 175.9 | -62.3 | -175.1 | 179.9 | 178.6 | 0 | 111.5 | L36 P37 | L36-K39 HydrophobicContact CB-CB 4.23Å; L36-K39 HydrophobicContact CB-CD 4.24Å; L36-K39 HydrophobicContact CD1-CD 3.97Å; L36-K39 PolarHBondContact O-N 3.45Å; L36-K39 VanDerWaalsContact O-N 3.16Å; P37-K39 PolarHBondContact O-N 2.87Å |
| 40 | P | 92.9 | Very high | 94.4 | Very high | 107 Ų | 107 | 44.5 Ų | 44.5 | 70% | 0.695 | 27% | 0.271 | S | S | * | . | trans | -60.3 | 156 | 170.3 | -20.9 | 33.3 | 0 | 0 | 0 | 112.1 | ||||
| 41 | M | 96.2 | Very high | 94.3 | Very high | 59 Ų | 59 | 49.9 Ų | 49.9 | 29% | 0.291 | 29% | 0.291 | S | S | . | . | trans | -66.4 | 133.7 | 169 | -63.4 | 164.2 | -167.8 | 0 | 0 | 109.9 | V35 V405 Y406 A409 V417 | V35-M41 HydrophobicContact CB-CG 4.09Å; V35-M41 HydrophobicContact CG2-CE 4.34Å; V35-M41 HydrophobicContact CG2-CG 3.91Å; M41-V405 HydrophobicContact CB-CG1 3.75Å; M41-V405 HydrophobicContact CG-CG1 3.93Å; M41-V405 HydrophobicContact SD-CG1 4.05Å; M41-Y406 HydrophobicContact CE-CD2 3.93Å; M41-Y406 HydrophobicContact CE-CG 4.43Å; M41-Y406 VanDerWaalsContact SD-CA 3.56Å; M41-Y406 HydrophobicContact SD-CD2 4.3Å; M41-A409 HydrophobicContact CE-CB 3.47Å; M41-A409 VanDerWaalsContact CE-CB 3.47Å; M41-V417 HydrophobicContact CE-CG1 3.68Å | ||
| 42 | E | 96.3 | Very high | 94.1 | Very high | 67 Ų | 67 | 52.6 Ų | 52.6 | 31% | 0.313 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 157.2 | -176.8 | 65.3 | -171.1 | 166 | 0 | 0 | 112.8 | A33 V34 A44 Y149 | A33-E42 CarbonylContact C-O 3.55Å; A33-E42 WeakPolarHBondContact CA-O 3.29Å; A33-E42 WeakPolarHBondContact CB-O 3.5Å; V34-E42 HydrophobicContact CG2-CG 4.05Å; V34-E42 PolarHBondContact N-O 3.29Å; V34-E42 PolarHBondContact O-N 3.24Å; E42-A44 PolarHBondContact O-N 2.92Å; E42-Y149 VanDerWaalsContact CD-OH 3.3Å; E42-Y149 HydrophobicContact CG-CE1 3.96Å; E42-Y149 WeakPolarHBondContact OE1-CE1 3.38Å; E42-Y149 PolarHBondContact OE1-OH 3.43Å; E42-Y149 PolarHBondContact OE2-OH 3.16Å |
| 43 | I | 98.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 123 | 174.4 | -57.3 | -57.2 | 0 | 0 | 0 | 109.1 | V32 A33 R51 D398 A401 L402 | V32-I43 CarbonylContact O-C 3.59Å; V32-I43 WeakPolarHBondContact O-CA 3.33Å; V32-I43 WeakPolarHBondContact O-CG2 3.49Å; A33-I43 HydrophobicContact CB-CD1 3.83Å; I43-R51 HydrophobicContact CG2-CB 3.91Å; I43-R51 HydrophobicContact CG2-CG 4.23Å; I43-D398 HydrophobicContact CD1-CB 4.19Å; I43-D398 HydrophobicContact CG1-CB 4.17Å; I43-A401 HydrophobicContact CD1-CB 3.88Å; I43-L402 HydrophobicContact CD1-CD2 3.87Å; I43-L402 HydrophobicContact CD1-CG 3.84Å; I43-L402 HydrophobicContact CG1-CD2 4.36Å; I43-L402 HydrophobicContact CG1-CG 4.49Å |
| 44 | A | 97.4 | Very high | 94 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.008 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 143.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | V32 V34 E42 Y145 Y149 | V32-A44 HydrophobicContact CB-CB 4.37Å; V32-A44 HydrophobicContact CG1-CB 3.93Å; V32-A44 PolarHBondContact O-N 2.99Å; V34-A44 HydrophobicContact CG1-CB 4.14Å; E42-A44 PolarHBondContact O-N 2.92Å; A44-Y145 HydrophobicContact CB-CD2 4.36Å; A44-Y145 HydrophobicContact CB-CE2 4.21Å; A44-Y149 HydrophobicContact CB-CD1 3.86Å; A44-Y149 HydrophobicContact CB-CE1 4.46Å; A44-Y149 HydrophobicContact CB-CG 3.94Å |
| 45 | V | 95.7 | Very high | 94 | Very high | 42 Ų | 42 | 54.1 Ų | 54.1 | 26% | 0.255 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -101 | 132.2 | -177.9 | -176 | 0 | 0 | 0 | 0 | 109.5 | S49 R51 Y149 | V45-S49 WeakPolarHBondContact CG1-O 3.36Å; V45-R51 HydrophobicContact CG2-CG 4.21Å; V45-Y149 HydrophobicContact CB-CD2 4.09Å; V45-Y149 HydrophobicContact CB-CE2 4.06Å; V45-Y149 HydrophobicContact CG2-CD2 4.39Å; V45-Y149 HydrophobicContact CG2-CE2 3.86Å |
| 46 | A | 92.9 | Very high | 94.1 | Very high | 4 Ų | 4 | 54 Ų | 54 | 3% | 0.033 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -70 | 166.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D48 S49 K50 | A46-D48 PolarHBondContact O-N 3.32Å; A46-D48 VanDerWaalsContact O-N 3.1Å; A46-S49 WeakPolarHBondContact O-CA 3.46Å; A46-S49 PolarHBondContact O-N 3.1Å; A46-K50 WeakPolarHBondContact CB-O 3.29Å; A46-K50 PolarHBondContact N-O 2.77Å |
| 47 | P | 89.2 | Confident | 94.3 | Very high | 87 Ų | 87 | 53.6 Ų | 53.6 | 57% | 0.565 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -27.9 | -179.2 | -27.7 | 36.5 | 0 | 0 | 0 | 114.9 | S49 | P47-S49 PolarHBondContact O-N 3.45Š|
| 48 | D | 89.2 | Confident | 94.7 | Very high | 63 Ų | 63 | 50.3 Ų | 50.3 | 34% | 0.337 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 17.9 | 174.4 | 73.1 | -16.2 | 0 | 0 | 0 | 113.5 | A46 K50 S68 | A46-D48 PolarHBondContact O-N 3.32Å; A46-D48 VanDerWaalsContact O-N 3.1Å; D48-K50 PolarHBondContact O-N 3.18Å; D48-K50 WeakPolarHBondContact OD1-CB 3.34Å; D48-K50 PolarHBondContact OD1-N 2.65Å; D48-K50 VanDerWaalsContact OD2-CD 3.28Å; D48-K50 WeakPolarHBondContact OD2-CD 3.37Å; D48-K50 WeakPolarHBondContact OD2-CE 3.31Å; D48-K50 IonicContact OD2-NZ 3.48Å; D48-K50 PolarHBondContact OD2-NZ 2.72Å; D48-S68 PolarHBondContact OD2-OG 2.75Å |
| 49 | S | 92.4 | Very high | 95 | Very high | 103 Ų | 103 | 46.8 Ų | 46.8 | 72% | 0.72 | 25% | 0.247 | S | C | * | . | S | Bend | trans | 61.4 | 19.8 | -179.4 | -60.5 | 0 | 0 | 0 | 0 | 114.9 | V45 A46 P47 | V45-S49 WeakPolarHBondContact CG1-O 3.36Å; A46-S49 WeakPolarHBondContact O-CA 3.46Å; A46-S49 PolarHBondContact O-N 3.1Å; P47-S49 PolarHBondContact O-N 3.45Å |
| 50 | K | 93.7 | Very high | 95.1 | Very high | 95 Ų | 95 | 46.1 Ų | 46.1 | 41% | 0.413 | 25% | 0.245 | S | C | . | . | trans | -98.1 | 143.1 | 176.9 | -61.8 | -177.1 | -168.9 | 132.6 | 0 | 112.2 | A46 D48 K52 S68 | A46-K50 WeakPolarHBondContact CB-O 3.29Å; A46-K50 PolarHBondContact N-O 2.77Å; D48-K50 PolarHBondContact O-N 3.18Å; D48-K50 WeakPolarHBondContact OD1-CB 3.34Å; D48-K50 PolarHBondContact OD1-N 2.65Å; D48-K50 VanDerWaalsContact OD2-CD 3.28Å; D48-K50 WeakPolarHBondContact OD2-CD 3.37Å; D48-K50 WeakPolarHBondContact OD2-CE 3.31Å; D48-K50 IonicContact OD2-NZ 3.48Å; D48-K50 PolarHBondContact OD2-NZ 2.72Å; K50-K52 PolarHBondContact O-N 3.48Å; K50-S68 PolarHBondContact NZ-OG 3.32Å | ||
| 51 | R | 95 | Very high | 94.8 | Very high | 114 Ų | 114 | 47.4 Ų | 47.4 | 43% | 0.43 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -80.4 | -1.6 | 171.8 | -67.1 | 171.4 | 66.7 | 89.2 | -10.1 | 113.7 | K31 I43 V45 D398 | K31-R51 VanDerWaalsContact CD-O 3.3Å; K31-R51 WeakPolarHBondContact CD-O 3.48Å; K31-R51 WeakPolarHBondContact CE-O 3.39Å; I43-R51 HydrophobicContact CG2-CB 3.91Å; I43-R51 HydrophobicContact CG2-CG 4.23Å; V45-R51 HydrophobicContact CG2-CG 4.21Å; R51-D398 IonicContact CZ-OD2 3.67Å; R51-D398 IonicContact NE-OD1 2.91Å; R51-D398 IonicContact NE-OD2 2.61Å; R51-D398 IonicContact NH2-OD1 3.27Å; R51-D398 IonicContact NH2-OD2 2.77Å; R51-D398 PolarHBondContact NH2-OD2 3Å |
| 52 | K | 95.2 | Very high | 94.1 | Very high | 65 Ų | 65 | 51.8 Ų | 51.8 | 28% | 0.283 | 27% | 0.27 | S | S | . | . | trans | -142.4 | 125.1 | -173.8 | -170.8 | 165.5 | 67.2 | -175 | 0 | 109 | F29 K31 K50 D397 | F29-K52 HydrophobicContact CB-CD 3.69Å; F29-K52 HydrophobicContact CB-CG 3.62Å; F29-K52 HydrophobicContact CD1-CD 3.83Å; F29-K52 HydrophobicContact CD1-CG 3.69Å; F29-K52 HydrophobicContact CD2-CD 3.94Å; F29-K52 HydrophobicContact CE1-CD 4.47Å; F29-K52 HydrophobicContact CG-CD 3.54Å; F29-K52 HydrophobicContact CG-CG 3.73Å; K31-K52 HydrophobicContact CG-CG 4.35Å; K50-K52 PolarHBondContact O-N 3.48Å; K52-D397 IonicContact NZ-OD2 3.7Å; K52-D397 PolarHBondContact NZ-OD2 2.96Å | ||
| 53 | T | 97 | Very high | 93.8 | Very high | 8 Ų | 8 | 51.9 Ų | 51.9 | 5% | 0.049 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 131.5 | -177.4 | -59.6 | 0 | 0 | 0 | 0 | 108.5 | F29 M30 T55 Y141 | F29-T53 CarbonylContact C-O 3.48Å; F29-T53 VanDerWaalsContact CA-O 3.25Å; F29-T53 WeakPolarHBondContact CA-O 3.12Å; M30-T53 HydrophobicContact CE-CG2 4.34Å; M30-T53 PolarHBondContact N-O 3.19Å; M30-T53 PolarHBondContact O-N 2.75Å; T53-T55 PolarHBondContact O-N 3.21Å; T53-Y141 HydrophobicContact CG2-CD1 4.18Å; T53-Y141 HydrophobicContact CG2-CE1 3.62Å |
| 54 | S | 97.3 | Very high | 93.6 | Very high | 22 Ų | 22 | 53.3 Ų | 53.3 | 15% | 0.154 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 133.5 | 170.7 | -59.6 | 0 | 0 | 0 | 0 | 110.5 | E28 A56 G67 | E28-S54 CarbonylContact O-C 3.6Å; E28-S54 WeakPolarHBondContact O-CA 3.34Å; S54-A56 PolarHBondContact O-N 3.44Å; S54-G67 VanDerWaalsContact O-CA 3.3Å; S54-G67 WeakPolarHBondContact O-CA 3.47Å |
| 55 | T | 97.6 | Very high | 93.6 | Very high | 4 Ų | 4 | 54.3 Ų | 54.3 | 3% | 0.025 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -78.1 | 71.7 | 177.5 | -52 | 0 | 0 | 0 | 0 | 109.3 | L25 G26 T27 E28 F29 M30 T53 P86 L138 | L25-T55 HydrophobicContact CD1-CG2 4.23Å; G26-T55 WeakPolarHBondContact O-CB 3.32Å; G26-T55 WeakPolarHBondContact O-CG2 3.28Å; G26-T55 PolarHBondContact O-OG1 3.39Å; T27-T55 WeakPolarHBondContact O-CB 3.18Å; E28-T55 PolarHBondContact O-N 2.61Å; F29-T55 WeakPolarHBondContact CA-OG1 3.5Å; F29-T55 PolarHBondContact N-OG1 2.76Å; M30-T55 PolarHBondContact N-OG1 3.17Å; M30-T55 VanDerWaalsContact N-OG1 3.09Å; T53-T55 PolarHBondContact O-N 3.21Å; T55-P86 HydrophobicContact CG2-CG 3.7Å; T55-L138 HydrophobicContact CG2-CD1 3.63Å |
| 56 | A | 97.9 | Very high | 93.6 | Very high | 2 Ų | 2 | 53.6 Ų | 53.6 | 2% | 0.017 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 141.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | S54 G67 A70 V71 F82 Q83 | S54-A56 PolarHBondContact O-N 3.44Å; A56-G67 PolarHBondContact O-N 3.27Å; A56-G67 VanDerWaalsContact O-N 3.16Å; A56-A70 HydrophobicContact CB-CB 3.87Å; A56-V71 HydrophobicContact CB-CG2 3.87Å; A56-F82 VanDerWaalsContact CA-O 3.28Å; A56-F82 WeakPolarHBondContact CA-O 3.39Å; A56-Q83 HydrophobicContact CB-CG 3.9Å |
| 57 | I | 97.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 131 | 174.3 | -56.7 | 166.9 | 0 | 0 | 0 | 108.2 | F59 L65 F66 V81 F82 L134 M137 L138 | I57-F59 HydrophobicContact CG2-CD2 4.35Å; I57-F59 HydrophobicContact CG2-CE2 3.71Å; I57-F59 HydrophobicContact CG2-CZ 3.92Å; I57-L65 CarbonylContact C-O 3.47Å; I57-L65 WeakPolarHBondContact CA-O 3.41Å; I57-F66 HydrophobicContact CD1-CE1 4.48Å; I57-F66 HydrophobicContact CG1-CD1 4.09Å; I57-F66 HydrophobicContact CG1-CE1 4.03Å; I57-F66 HydrophobicContact CG2-CE1 4.43Å; I57-V81 CarbonylContact O-C 3.56Å; I57-V81 WeakPolarHBondContact O-CA 3.38Å; I57-F82 PolarHBondContact N-O 3.16Å; I57-F82 PolarHBondContact O-N 3.27Å; I57-L134 HydrophobicContact CD1-CB 3.92Å; I57-L134 HydrophobicContact CD1-CD2 4.04Å; I57-L134 WeakPolarHBondContact CD1-O 3.35Å; I57-M137 HydrophobicContact CD1-CB 3.99Å; I57-L138 HydrophobicContact CD1-CD1 4.3Å; I57-L138 HydrophobicContact CD1-CD2 4.18Å; I57-L138 HydrophobicContact CD1-CG 3.73Å; I57-L138 HydrophobicContact CG1-CD2 3.78Å; I57-L138 HydrophobicContact CG1-CG 3.92Å |
| 58 | G | 97.2 | Very high | 94 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 147.7 | 175 | 0 | 0 | 0 | 0 | 0 | 110.8 | L65 N80 | G58-L65 PolarHBondContact N-O 3.42Å; G58-L65 PolarHBondContact O-N 3.02Å; G58-N80 CarbonylContact C-O 3.58Å; G58-N80 VanDerWaalsContact CA-O 3.29Å; G58-N80 WeakPolarHBondContact CA-O 3.5Å |
| 59 | F | 95.7 | Very high | 94.3 | Very high | 19 Ų | 19 | 52.7 Ų | 52.7 | 8% | 0.083 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 124.7 | 172.1 | -63.9 | -93.1 | 0 | 0 | 0 | 110.3 | I57 E63 R64 N80 F82 L123 F129 L134 M137 | I57-F59 HydrophobicContact CG2-CD2 4.35Å; I57-F59 HydrophobicContact CG2-CE2 3.71Å; I57-F59 HydrophobicContact CG2-CZ 3.92Å; F59-E63 WeakPolarHBondContact CA-O 3.41Å; F59-R64 HydrophobicContact CD1-CG 4.2Å; F59-R64 HydrophobicContact CE1-CG 3.74Å; F59-N80 PolarHBondContact N-O 2.66Å; F59-N80 VanDerWaalsContact O-CB 3.3Å; F59-N80 WeakPolarHBondContact O-CB 3.36Å; F59-N80 PolarHBondContact O-ND2 2.83Å; F59-F82 AromaticContact CD2-CD2 3.83Å; F59-F82 HydrophobicContact CD2-CD2 3.83Å; F59-F82 AromaticContact CD2-CE2 3.52Å; F59-F82 HydrophobicContact CD2-CE2 3.52Å; F59-F82 AromaticContact CE2-CD2 3.62Å; F59-F82 HydrophobicContact CE2-CD2 3.62Å; F59-F82 AromaticContact CE2-CE2 3.5Å; F59-F82 HydrophobicContact CE2-CE2 3.5Å; F59-L123 HydrophobicContact CB-CD2 4.01Å; F59-L123 HydrophobicContact CD2-CD2 4.17Å; F59-L123 HydrophobicContact CG-CD2 4.04Å; F59-F129 HydrophobicContact CD1-CE2 4.21Å; F59-F129 HydrophobicContact CE1-CD2 4.4Å; F59-F129 AromaticContact CE1-CE2 3.52Å; F59-F129 HydrophobicContact CE1-CE2 3.52Å; F59-F129 AromaticContact CE1-CZ 3.67Å; F59-F129 HydrophobicContact CE1-CZ 3.67Å; F59-F129 HydrophobicContact CE2-CD2 4.19Å; F59-F129 HydrophobicContact CE2-CE2 4.02Å; F59-F129 AromaticContact CZ-CD2 3.84Å; F59-F129 HydrophobicContact CZ-CD2 3.84Å; F59-F129 AromaticContact CZ-CE2 3.41Å; F59-F129 HydrophobicContact CZ-CE2 3.41Å; F59-F129 VanDerWaalsContact CZ-CE2 3.41Å; F59-F129 AromaticContact CZ-CZ 3.84Å; F59-F129 HydrophobicContact CZ-CZ 3.84Å; F59-L134 HydrophobicContact CE2-CD2 3.94Å; F59-L134 HydrophobicContact CZ-CD2 4.04Å; F59-M137 HydrophobicContact CZ-SD 4.11Å |
| 60 | K | 92.6 | Very high | 94.5 | Very high | 106 Ų | 106 | 47.8 Ų | 47.8 | 46% | 0.461 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 126.5 | 177.3 | -174.5 | -172.2 | 175.7 | -161.8 | 0 | 109.4 | N62 E63 L65 L73 | K60-N62 VanDerWaalsContact C-N 3.31Å; K60-N62 PolarHBondContact O-N 3.36Å; K60-E63 PolarHBondContact N-O 2.73Å; K60-E63 VanDerWaalsContact O-CB 3.27Å; K60-E63 WeakPolarHBondContact O-CB 3.3Å; K60-E63 PolarHBondContact O-N 3.4Å; K60-L65 HydrophobicContact CB-CD1 4.24Å; K60-L73 HydrophobicContact CB-CD2 4.05Å; K60-L73 HydrophobicContact CD-CD1 4.19Å |
| 61 | N | 85.5 | Confident | 94.7 | Very high | 134 Ų | 134 | 44.5 Ų | 44.5 | 72% | 0.717 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 49 | 177.4 | -56.2 | -6 | 0 | 0 | 0 | 112.5 | E63 | N61-E63 PolarHBondContact O-N 3.49Š|
| 62 | N | 81.5 | Confident | 94.6 | Very high | 151 Ų | 151 | 44.1 Ų | 44.1 | 81% | 0.807 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 10.3 | -175.1 | -61.2 | -18.2 | 0 | 0 | 0 | 116.1 | K60 | K60-N62 VanDerWaalsContact C-N 3.31Å; K60-N62 PolarHBondContact O-N 3.36Å |
| 63 | E | 90.1 | Very high | 94.7 | Very high | 69 Ų | 69 | 41.8 Ų | 41.8 | 32% | 0.322 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 141.7 | 174.7 | -175.7 | -175.8 | -168.5 | 0 | 0 | 111.3 | F59 K60 N61 L65 K667 | F59-E63 WeakPolarHBondContact CA-O 3.41Å; K60-E63 PolarHBondContact N-O 2.73Å; K60-E63 VanDerWaalsContact O-CB 3.27Å; K60-E63 WeakPolarHBondContact O-CB 3.3Å; K60-E63 PolarHBondContact O-N 3.4Å; N61-E63 PolarHBondContact O-N 3.49Å; E63-L65 HydrophobicContact CG-CD2 4.15Å; E63-K667 HydrophobicContact CB-CD 4.4Å; E63-K667 HydrophobicContact CG-CD 4.28Å; E63-K667 IonicContact OE1-NZ 2.75Å; E63-K667 IonicContact OE2-NZ 2.84Å; E63-K667 PolarHBondContact OE2-NZ 3.1Å |
| 64 | R | 95.1 | Very high | 94.6 | Very high | 30 Ų | 30 | 41.5 Ų | 41.5 | 11% | 0.113 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 120.3 | 166.4 | -64.5 | -175.5 | -71.3 | 173.7 | -1.6 | 109.8 | F59 F66 M137 E140 L660 | F59-R64 HydrophobicContact CD1-CG 4.2Å; F59-R64 HydrophobicContact CE1-CG 3.74Å; R64-F66 HydrophobicContact CB-CE2 3.71Å; R64-F66 HydrophobicContact CB-CZ 3.97Å; R64-M137 VanDerWaalsContact CD-SD 3.57Å; R64-E140 IonicContact CZ-OE2 3.66Å; R64-E140 IonicContact NH1-OE2 3.65Å; R64-E140 PolarHBondContact NH1-OE2 3.42Å; R64-E140 IonicContact NH2-OE2 3.23Å; R64-E140 PolarHBondContact NH2-OE2 2.98Å; R64-L660 PolarHBondContact NH2-O 3.44Å |
| 65 | L | 96 | Very high | 94.5 | Very high | 22 Ų | 22 | 41.9 Ų | 41.9 | 12% | 0.115 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 141.9 | 169 | -56.5 | -179.1 | 0 | 0 | 0 | 109.1 | I57 G58 K60 E63 L69 A70 L73 | I57-L65 CarbonylContact C-O 3.47Å; I57-L65 WeakPolarHBondContact CA-O 3.41Å; G58-L65 PolarHBondContact N-O 3.42Å; G58-L65 PolarHBondContact O-N 3.02Å; K60-L65 HydrophobicContact CB-CD1 4.24Å; E63-L65 HydrophobicContact CG-CD2 4.15Å; L65-L69 HydrophobicContact CB-CB 4.13Å; L65-L69 HydrophobicContact CD2-CB 4.47Å; L65-A70 HydrophobicContact CB-CB 4.41Å; L65-L73 HydrophobicContact CD1-CB 4.46Å; L65-L73 HydrophobicContact CD1-CD2 4.1Å |
| 66 | F | 96.8 | Very high | 94.3 | Very high | 28 Ų | 28 | 49.2 Ų | 49.2 | 12% | 0.123 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 157.9 | 178.3 | -64.2 | -84.2 | 0 | 0 | 0 | 111.1 | I57 R64 S68 L69 M137 L138 Y141 | I57-F66 HydrophobicContact CD1-CE1 4.48Å; I57-F66 HydrophobicContact CG1-CD1 4.09Å; I57-F66 HydrophobicContact CG1-CE1 4.03Å; I57-F66 HydrophobicContact CG2-CE1 4.43Å; R64-F66 HydrophobicContact CB-CE2 3.71Å; R64-F66 HydrophobicContact CB-CZ 3.97Å; F66-S68 PolarHBondContact O-N 3.27Å; F66-L69 PolarHBondContact O-N 2.92Å; F66-M137 HydrophobicContact CE1-CB 4.06Å; F66-M137 WeakPolarHBondContact CE1-O 3.36Å; F66-M137 HydrophobicContact CZ-CB 4.27Å; F66-L138 HydrophobicContact CD1-CD2 4.41Å; F66-Y141 HydrophobicContact CB-CD1 3.96Å; F66-Y141 HydrophobicContact CB-CD2 3.75Å; F66-Y141 HydrophobicContact CB-CE1 3.96Å; F66-Y141 HydrophobicContact CB-CE2 3.73Å; F66-Y141 HydrophobicContact CB-CG 3.85Å; F66-Y141 HydrophobicContact CD1-CD1 4.43Å; F66-Y141 HydrophobicContact CD1-CD2 4.24Å; F66-Y141 AromaticContact CD1-CG 3.9Å; F66-Y141 HydrophobicContact CD1-CG 3.9Å; F66-Y141 AromaticContact CD2-CD2 3.5Å; F66-Y141 HydrophobicContact CD2-CD2 3.5Å; F66-Y141 HydrophobicContact CD2-CE2 4Å; F66-Y141 HydrophobicContact CD2-CG 4.03Å; F66-Y141 HydrophobicContact CE1-CG 4.45Å; F66-Y141 HydrophobicContact CE2-CD2 4.12Å; F66-Y141 HydrophobicContact CG-CD1 4.22Å; F66-Y141 AromaticContact CG-CD2 3.56Å; F66-Y141 HydrophobicContact CG-CD2 3.56Å; F66-Y141 HydrophobicContact CG-CE2 4.04Å; F66-Y141 AromaticContact CG-CG 3.65Å; F66-Y141 HydrophobicContact CG-CG 3.65Å |
| 67 | G | 96 | Very high | 94.2 | Very high | 2 Ų | 2 | 50.8 Ų | 50.8 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | 61.9 | -132.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S54 A56 L69 A70 V71 | S54-G67 VanDerWaalsContact O-CA 3.3Å; S54-G67 WeakPolarHBondContact O-CA 3.47Å; A56-G67 PolarHBondContact O-N 3.27Å; A56-G67 VanDerWaalsContact O-N 3.16Å; G67-L69 PolarHBondContact O-N 2.89Å; G67-A70 WeakPolarHBondContact O-CB 3.35Å; G67-A70 PolarHBondContact O-N 2.83Å; G67-V71 PolarHBondContact O-N 2.93Å; G67-V71 VanDerWaalsContact O-N 3.09Å |
| 68 | S | 94.8 | Very high | 94.1 | Very high | 30 Ų | 30 | 50.9 Ų | 50.9 | 21% | 0.21 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.9 | -28.8 | -176.1 | 64.3 | 0 | 0 | 0 | 0 | 113.3 | D48 K50 F66 V71 N72 | D48-S68 PolarHBondContact OD2-OG 2.75Å; K50-S68 PolarHBondContact NZ-OG 3.32Å; F66-S68 PolarHBondContact O-N 3.27Å; S68-V71 PolarHBondContact O-N 3.48Å; S68-N72 WeakPolarHBondContact O-CB 3.42Å; S68-N72 PolarHBondContact O-N 2.81Å; S68-N72 PolarHBondContact O-ND2 3.24Å; S68-N72 PolarHBondContact O-OD1 2.94Å |
| 69 | L | 95.4 | Very high | 94 | Very high | 103 Ų | 103 | 53 Ų | 53 | 54% | 0.539 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.3 | -41.3 | 175.5 | -62.6 | 178.6 | 0 | 0 | 0 | 111.6 | L65 F66 G67 N72 L73 | L65-L69 HydrophobicContact CB-CB 4.13Å; L65-L69 HydrophobicContact CD2-CB 4.47Å; F66-L69 PolarHBondContact O-N 2.92Å; G67-L69 PolarHBondContact O-N 2.89Å; L69-N72 PolarHBondContact O-N 2.95Å; L69-L73 PolarHBondContact O-N 3.44Å |
| 70 | A | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.9 | -46.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A56 L65 G67 N72 L73 A74 V81 | A56-A70 HydrophobicContact CB-CB 3.87Å; L65-A70 HydrophobicContact CB-CB 4.41Å; G67-A70 WeakPolarHBondContact O-CB 3.35Å; G67-A70 PolarHBondContact O-N 2.83Å; A70-N72 VanDerWaalsContact C-N 3.32Å; A70-N72 PolarHBondContact O-N 2.98Å; A70-L73 WeakPolarHBondContact O-CB 3.26Å; A70-L73 PolarHBondContact O-N 3.15Å; A70-L73 VanDerWaalsContact O-N 3.16Å; A70-A74 PolarHBondContact O-N 3.43Å; A70-V81 HydrophobicContact CB-CG1 4.42Å; A70-V81 WeakPolarHBondContact O-CG1 3.32Å; A70-V81 WeakPolarHBondContact O-CG2 3.37Å |
| 71 | V | 96.3 | Very high | 94.3 | Very high | 26 Ų | 26 | 48.8 Ų | 48.8 | 16% | 0.158 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.5 | -41.6 | 177.8 | 175.6 | 0 | 0 | 0 | 0 | 111.5 | A56 G67 S68 L73 A74 L298 | A56-V71 HydrophobicContact CB-CG2 3.87Å; G67-V71 PolarHBondContact O-N 2.93Å; G67-V71 VanDerWaalsContact O-N 3.09Å; S68-V71 PolarHBondContact O-N 3.48Å; V71-L73 VanDerWaalsContact C-N 3.28Å; V71-L73 PolarHBondContact O-N 3Å; V71-A74 VanDerWaalsContact O-CB 3.29Å; V71-A74 WeakPolarHBondContact O-CB 3.48Å; V71-A74 PolarHBondContact O-N 3.32Å; V71-A74 VanDerWaalsContact O-N 3.11Å; V71-L298 HydrophobicContact CG1-CD2 3.73Å |
| 72 | N | 94.8 | Very high | 94.9 | Very high | 106 Ų | 106 | 42.6 Ų | 42.6 | 57% | 0.567 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -62.8 | -35.5 | 177.7 | -72.5 | -17.1 | 0 | 0 | 0 | 112.4 | S68 L69 A70 A74 S75 | S68-N72 WeakPolarHBondContact O-CB 3.42Å; S68-N72 PolarHBondContact O-N 2.81Å; S68-N72 PolarHBondContact O-ND2 3.24Å; S68-N72 PolarHBondContact O-OD1 2.94Å; L69-N72 PolarHBondContact O-N 2.95Å; A70-N72 VanDerWaalsContact C-N 3.32Å; A70-N72 PolarHBondContact O-N 2.98Å; N72-A74 PolarHBondContact O-N 2.89Å; N72-S75 PolarHBondContact O-N 3.15Å; N72-S75 PolarHBondContact O-OG 3.17Å |
| 73 | L | 96.6 | Very high | 95.6 | Very high | 16 Ų | 16 | 37.2 Ų | 37.2 | 8% | 0.084 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63 | -30.4 | 175.8 | -178.5 | 62.6 | 0 | 0 | 0 | 112.3 | K60 L65 L69 A70 V71 S75 K76 S77 N80 V81 | K60-L73 HydrophobicContact CB-CD2 4.05Å; K60-L73 HydrophobicContact CD-CD1 4.19Å; L65-L73 HydrophobicContact CD1-CB 4.46Å; L65-L73 HydrophobicContact CD1-CD2 4.1Å; L69-L73 PolarHBondContact O-N 3.44Å; A70-L73 WeakPolarHBondContact O-CB 3.26Å; A70-L73 PolarHBondContact O-N 3.15Å; A70-L73 VanDerWaalsContact O-N 3.16Å; V71-L73 VanDerWaalsContact C-N 3.28Å; V71-L73 PolarHBondContact O-N 3Å; L73-S75 PolarHBondContact O-N 3.06Å; L73-S75 VanDerWaalsContact O-N 3.1Å; L73-K76 PolarHBondContact O-N 3.45Å; L73-S77 PolarHBondContact O-N 2.9Å; L73-N80 HydrophobicContact CD2-CB 4.49Å; L73-V81 HydrophobicContact CB-CG2 3.78Å; L73-V81 HydrophobicContact CD2-CG2 3.84Å; L73-V81 HydrophobicContact CG-CG2 3.75Å |
| 74 | A | 95.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.008 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -24.2 | -176 | 0 | 0 | 0 | 0 | 0 | 113.4 | A70 V71 N72 K76 P78 V81 S294 | A70-A74 PolarHBondContact O-N 3.43Å; V71-A74 VanDerWaalsContact O-CB 3.29Å; V71-A74 WeakPolarHBondContact O-CB 3.48Å; V71-A74 PolarHBondContact O-N 3.32Å; V71-A74 VanDerWaalsContact O-N 3.11Å; N72-A74 PolarHBondContact O-N 2.89Å; A74-K76 PolarHBondContact O-N 2.76Å; A74-P78 WeakPolarHBondContact O-CB 3.46Å; A74-P78 WeakPolarHBondContact O-CD 3.38Å; A74-V81 HydrophobicContact CB-CB 4.14Å; A74-V81 HydrophobicContact CB-CG1 4.14Å; A74-V81 HydrophobicContact CB-CG2 4.14Å; A74-S294 WeakPolarHBondContact O-CB 3.45Å |
| 75 | S | 93.3 | Very high | 96 | Very high | 31 Ų | 31 | 32.9 Ų | 32.9 | 22% | 0.217 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -19.5 | 175.1 | 69.5 | 0 | 0 | 0 | 0 | 114 | N72 L73 R291 | N72-S75 PolarHBondContact O-N 3.15Å; N72-S75 PolarHBondContact O-OG 3.17Å; L73-S75 PolarHBondContact O-N 3.06Å; L73-S75 VanDerWaalsContact O-N 3.1Å; S75-R291 WeakPolarHBondContact O-CG 3.36Å |
| 76 | K | 94.5 | Very high | 95.9 | Very high | 158 Ų | 158 | 32.1 Ų | 32.1 | 69% | 0.687 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.7 | -46.4 | -177.5 | -64.7 | -177.5 | -178.1 | -179.4 | 0 | 111.9 | L73 A74 | L73-K76 PolarHBondContact O-N 3.45Å; A74-K76 PolarHBondContact O-N 2.76Å |
| 77 | S | 95.1 | Very high | 95.8 | Very high | 35 Ų | 35 | 31.3 Ų | 31.3 | 25% | 0.245 | 17% | 0.167 | C | C | . | . | trans | -138.6 | 67.1 | -172.9 | -58 | 0 | 0 | 0 | 0 | 110.7 | L73 E79 N80 | L73-S77 PolarHBondContact O-N 2.9Å; S77-E79 VanDerWaalsContact C-OE2 3.29Å; S77-E79 WeakPolarHBondContact CA-OE2 3.48Å; S77-E79 PolarHBondContact O-N 3.22Å; S77-N80 PolarHBondContact O-N 3.42Å; S77-N80 VanDerWaalsContact O-N 3.12Å | ||
| 78 | P | 96.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -58.6 | -31.9 | -176.6 | 24.2 | -34.2 | 0 | 0 | 0 | 113.9 | A74 N80 V81 Y107 H290 S294 | A74-P78 WeakPolarHBondContact O-CB 3.46Å; A74-P78 WeakPolarHBondContact O-CD 3.38Å; P78-N80 PolarHBondContact O-N 3.47Å; P78-N80 VanDerWaalsContact O-N 3.09Å; P78-V81 PolarHBondContact O-N 3.41Å; P78-Y107 HydrophobicContact CB-CD1 4.28Å; P78-Y107 HydrophobicContact CB-CD2 4.41Å; P78-Y107 HydrophobicContact CB-CE1 3.84Å; P78-Y107 HydrophobicContact CB-CE2 3.98Å; P78-Y107 WeakPolarHBondContact O-CE2 3.17Å; P78-H290 HydrophobicContact CG-CB 3.91Å; P78-S294 WeakPolarHBondContact CB-OG 3.17Å |
| 79 | E | 95.6 | Very high | 95.7 | Very high | 44 Ų | 44 | 30 Ų | 30 | 21% | 0.206 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -58.1 | -24.1 | 177.1 | 63.7 | -92.7 | -139.4 | 0 | 0 | 114.1 | S77 K124 | S77-E79 VanDerWaalsContact C-OE2 3.29Å; S77-E79 WeakPolarHBondContact CA-OE2 3.48Å; S77-E79 PolarHBondContact O-N 3.22Å; E79-K124 HydrophobicContact CG-CD 4.3Å; E79-K124 IonicContact OE1-NZ 2.74Å; E79-K124 PolarHBondContact OE1-NZ 3.43Å |
| 80 | N | 95.9 | Very high | 95.6 | Very high | 38 Ų | 38 | 25.3 Ų | 25.3 | 20% | 0.203 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -97.8 | 5.5 | -179.3 | -65.2 | -14.5 | 0 | 0 | 0 | 112.5 | G58 F59 L73 S77 P78 | G58-N80 CarbonylContact C-O 3.58Å; G58-N80 VanDerWaalsContact CA-O 3.29Å; G58-N80 WeakPolarHBondContact CA-O 3.5Å; F59-N80 PolarHBondContact N-O 2.66Å; F59-N80 VanDerWaalsContact O-CB 3.3Å; F59-N80 WeakPolarHBondContact O-CB 3.36Å; F59-N80 PolarHBondContact O-ND2 2.83Å; L73-N80 HydrophobicContact CD2-CB 4.49Å; S77-N80 PolarHBondContact O-N 3.42Å; S77-N80 VanDerWaalsContact O-N 3.12Å; P78-N80 PolarHBondContact O-N 3.47Å; P78-N80 VanDerWaalsContact O-N 3.09Å |
| 81 | V | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 118.5 | -176.5 | -176.4 | 0 | 0 | 0 | 0 | 110.7 | I57 A70 L73 A74 P78 Q83 H108 | I57-V81 CarbonylContact O-C 3.56Å; I57-V81 WeakPolarHBondContact O-CA 3.38Å; A70-V81 HydrophobicContact CB-CG1 4.42Å; A70-V81 WeakPolarHBondContact O-CG1 3.32Å; A70-V81 WeakPolarHBondContact O-CG2 3.37Å; L73-V81 HydrophobicContact CB-CG2 3.78Å; L73-V81 HydrophobicContact CD2-CG2 3.84Å; L73-V81 HydrophobicContact CG-CG2 3.75Å; A74-V81 HydrophobicContact CB-CB 4.14Å; A74-V81 HydrophobicContact CB-CG1 4.14Å; A74-V81 HydrophobicContact CB-CG2 4.14Å; P78-V81 PolarHBondContact O-N 3.41Å; V81-Q83 HydrophobicContact CG1-CG 4.04Å; V81-H108 PolarHBondContact O-CE1 2.88Å; V81-H108 PolarHBondContact O-NE2 3.13Å; V81-H108 VanDerWaalsContact O-NE2 3.16Å |
| 82 | F | 98 | Very high | 95.1 | Very high | 4 Ų | 4 | 25.4 Ų | 25.4 | 2% | 0.018 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 111.3 | -177.6 | -61.9 | -80.6 | 0 | 0 | 0 | 109.5 | A56 I57 F59 I85 H108 F121 L123 L134 | A56-F82 VanDerWaalsContact CA-O 3.28Å; A56-F82 WeakPolarHBondContact CA-O 3.39Å; I57-F82 PolarHBondContact N-O 3.16Å; I57-F82 PolarHBondContact O-N 3.27Å; F59-F82 AromaticContact CD2-CD2 3.83Å; F59-F82 HydrophobicContact CD2-CD2 3.83Å; F59-F82 AromaticContact CD2-CE2 3.52Å; F59-F82 HydrophobicContact CD2-CE2 3.52Å; F59-F82 AromaticContact CE2-CD2 3.62Å; F59-F82 HydrophobicContact CE2-CD2 3.62Å; F59-F82 AromaticContact CE2-CE2 3.5Å; F59-F82 HydrophobicContact CE2-CE2 3.5Å; F82-I85 HydrophobicContact CB-CD1 3.77Å; F82-I85 HydrophobicContact CB-CG1 3.69Å; F82-I85 HydrophobicContact CD1-CD1 4.22Å; F82-H108 AromaticContact CD1-CE1 3.66Å; F82-H108 AromaticContact CE1-CE1 3.72Å; F82-H108 AromaticContact CE1-ND1 3.67Å; F82-F121 HydrophobicContact CD1-CB 4.45Å; F82-F121 HydrophobicContact CD1-CD1 4.24Å; F82-F121 HydrophobicContact CD1-CD2 4.01Å; F82-F121 HydrophobicContact CD1-CE1 4.45Å; F82-F121 HydrophobicContact CD1-CE2 4.24Å; F82-F121 AromaticContact CD1-CG 3.98Å; F82-F121 HydrophobicContact CD1-CG 3.98Å; F82-F121 HydrophobicContact CD1-CZ 4.46Å; F82-F121 HydrophobicContact CE1-CB 3.54Å; F82-F121 AromaticContact CE1-CD1 3.74Å; F82-F121 HydrophobicContact CE1-CD1 3.74Å; F82-F121 AromaticContact CE1-CD2 3.92Å; F82-F121 HydrophobicContact CE1-CD2 3.92Å; F82-F121 HydrophobicContact CE1-CE1 4.37Å; F82-F121 AromaticContact CE1-CG 3.46Å; F82-F121 HydrophobicContact CE1-CG 3.46Å; F82-F121 VanDerWaalsContact CE1-CG 3.46Å; F82-F121 HydrophobicContact CZ-CB 4.07Å; F82-F121 HydrophobicContact CZ-CG 4.44Å; F82-L123 HydrophobicContact CE2-CD1 4.06Å; F82-L123 HydrophobicContact CZ-CD1 3.67Å; F82-L123 HydrophobicContact CZ-CG 4.31Å; F82-L134 HydrophobicContact CB-CD1 4.22Å; F82-L134 HydrophobicContact CD1-CD1 3.82Å; F82-L134 HydrophobicContact CD2-CD1 4.48Å; F82-L134 HydrophobicContact CD2-CD2 4.27Å; F82-L134 HydrophobicContact CE1-CD1 4.34Å; F82-L134 HydrophobicContact CG-CD1 3.91Å; F82-L134 HydrophobicContact CG-CD2 4.42Å |
| 83 | Q | 97 | Very high | 95 | Very high | 38 Ų | 38 | 22.5 Ų | 22.5 | 18% | 0.178 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 156.2 | -179.9 | -69.4 | 170.5 | 92.1 | 0 | 0 | 109.8 | A56 V81 I85 F101 Y105 | A56-Q83 HydrophobicContact CB-CG 3.9Å; V81-Q83 HydrophobicContact CG1-CG 4.04Å; Q83-I85 PolarHBondContact O-N 3.33Å; Q83-I85 VanDerWaalsContact O-N 3.09Å; Q83-F101 WeakPolarHBondContact O-CE2 3.26Å; Q83-Y105 HydrophobicContact CB-CE1 3.96Å |
| 84 | S | 96 | Very high | 94.7 | Very high | 5 Ų | 5 | 26 Ų | 26 | 4% | 0.035 | 14% | 0.137 | C | C | . | . | S | Bend | trans | 59.9 | 16.4 | 179.7 | -51 | 0 | 0 | 0 | 0 | 115 | P86 S87 Y105 Q261 | S84-P86 VanDerWaalsContact C-CD 3.5Å; S84-S87 WeakPolarHBondContact O-CB 3.35Å; S84-S87 PolarHBondContact O-N 3.01Å; S84-S87 VanDerWaalsContact O-N 3.14Å; S84-S87 PolarHBondContact O-OG 3.04Å; S84-Y105 PolarHBondContact OG-OH 3.25Å; S84-Q261 PolarHBondContact OG-NE2 2.85Å |
| 85 | I | 96.9 | Very high | 94.4 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -60.4 | -37.9 | -173.9 | -55.3 | -56.5 | 0 | 0 | 0 | 114.4 | F82 Q83 S87 L88 F101 F121 V131 L134 V135 | F82-I85 HydrophobicContact CB-CD1 3.77Å; F82-I85 HydrophobicContact CB-CG1 3.69Å; F82-I85 HydrophobicContact CD1-CD1 4.22Å; Q83-I85 PolarHBondContact O-N 3.33Å; Q83-I85 VanDerWaalsContact O-N 3.09Å; I85-S87 PolarHBondContact O-N 3.22Å; I85-L88 HydrophobicContact CD1-CD1 4.37Å; I85-L88 WeakPolarHBondContact O-CB 3.49Å; I85-L88 PolarHBondContact O-N 3.13Å; I85-F101 HydrophobicContact CD1-CE2 3.96Å; I85-F101 HydrophobicContact CD1-CZ 3.95Å; I85-F121 HydrophobicContact CD1-CE2 3.83Å; I85-F121 HydrophobicContact CD1-CZ 3.91Å; I85-V131 HydrophobicContact CG2-CG1 3.94Å; I85-L134 HydrophobicContact CG1-CD1 4.49Å; I85-L134 HydrophobicContact CG2-CB 4.05Å; I85-L134 HydrophobicContact CG2-CD1 4.25Å; I85-V135 HydrophobicContact CG2-CG2 4.03Å |
| 86 | P | 95.2 | Very high | 94.4 | Very high | 7 Ų | 7 | 27.1 Ų | 27.1 | 5% | 0.045 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -56.9 | -23.6 | 177 | -28.3 | 37.1 | 0 | 0 | 0 | 114.2 | L25 T55 S84 L88 L89 V135 | L25-P86 HydrophobicContact CD1-CG 4.02Å; L25-P86 HydrophobicContact CD2-CB 3.91Å; L25-P86 HydrophobicContact CD2-CG 3.94Å; L25-P86 HydrophobicContact CG-CB 4.12Å; L25-P86 HydrophobicContact CG-CG 3.88Å; T55-P86 HydrophobicContact CG2-CG 3.7Å; S84-P86 VanDerWaalsContact C-CD 3.5Å; P86-L88 PolarHBondContact O-N 3.07Å; P86-L89 WeakPolarHBondContact O-CB 3.15Å; P86-L89 PolarHBondContact O-N 3.29Å; P86-V135 HydrophobicContact CG-CG2 4.47Å |
| 87 | S | 94.3 | Very high | 94.2 | Very high | 10 Ų | 10 | 20 Ų | 20 | 7% | 0.07 | 11% | 0.112 | C | C | . | . | G | 310 helix | trans | -68.6 | -13.4 | 176.8 | 73.9 | 0 | 0 | 0 | 0 | 114.6 | S84 I85 K91 M221 | S84-S87 WeakPolarHBondContact O-CB 3.35Å; S84-S87 PolarHBondContact O-N 3.01Å; S84-S87 VanDerWaalsContact O-N 3.14Å; S84-S87 PolarHBondContact O-OG 3.04Å; I85-S87 PolarHBondContact O-N 3.22Å; S87-K91 WeakPolarHBondContact O-CD 3.46Å; S87-K91 VanDerWaalsContact O-CE 3.25Å; S87-K91 WeakPolarHBondContact O-CE 3.46Å; S87-M221 WeakPolarHBondContact CB-SD 3.28Å |
| 88 | L | 95.7 | Very high | 94.3 | Very high | 2 Ų | 2 | 18.3 Ų | 18.3 | 1% | 0.01 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -95.5 | -10.5 | 179.7 | -54.1 | -179.4 | 0 | 0 | 0 | 113.1 | I85 P86 G90 K91 V98 F101 L119 F121 V131 | I85-L88 HydrophobicContact CD1-CD1 4.37Å; I85-L88 WeakPolarHBondContact O-CB 3.49Å; I85-L88 PolarHBondContact O-N 3.13Å; P86-L88 PolarHBondContact O-N 3.07Å; L88-G90 PolarHBondContact O-N 3.45Å; L88-K91 PolarHBondContact O-N 3.31Å; L88-V98 HydrophobicContact CD2-CB 4.42Å; L88-V98 HydrophobicContact CD2-CG2 3.97Å; L88-F101 HydrophobicContact CD1-CD1 4.03Å; L88-F101 HydrophobicContact CD1-CD2 3.95Å; L88-F101 HydrophobicContact CD1-CE1 4.01Å; L88-F101 HydrophobicContact CD1-CE2 3.89Å; L88-F101 HydrophobicContact CD1-CG 4.03Å; L88-F101 HydrophobicContact CD1-CZ 3.94Å; L88-F101 HydrophobicContact CD2-CB 3.66Å; L88-F101 HydrophobicContact CD2-CD1 4.21Å; L88-F101 HydrophobicContact CD2-CD2 3.96Å; L88-F101 HydrophobicContact CD2-CG 3.68Å; L88-F101 HydrophobicContact CG-CD2 4.16Å; L88-F101 HydrophobicContact CG-CE2 4.49Å; L88-F101 HydrophobicContact CG-CG 4.29Å; L88-L119 HydrophobicContact CB-CD1 4.12Å; L88-F121 HydrophobicContact CD1-CE2 4.07Å; L88-F121 HydrophobicContact CD1-CZ 3.69Å; L88-V131 HydrophobicContact CB-CG1 3.99Å; L88-V131 HydrophobicContact CB-CG2 3.97Å; L88-V131 HydrophobicContact CD1-CG2 4.07Å |
| 89 | L | 93.7 | Very high | 94.2 | Very high | 3 Ų | 3 | 22.6 Ų | 22.6 | 2% | 0.016 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 136.7 | -176.2 | -166.1 | 86 | 0 | 0 | 0 | 111 | P86 K91 V135 E169 R172 L173 V176 | P86-L89 WeakPolarHBondContact O-CB 3.15Å; P86-L89 PolarHBondContact O-N 3.29Å; L89-K91 VanDerWaalsContact C-N 3.26Å; L89-K91 PolarHBondContact O-N 2.82Å; L89-K91 PolarHBondContact O-NZ 3.24Å; L89-V135 HydrophobicContact CD1-CG2 4.45Å; L89-E169 VanDerWaalsContact O-CG 3.31Å; L89-E169 WeakPolarHBondContact O-CG 3.35Å; L89-R172 HydrophobicContact CD1-CG 3.97Å; L89-R172 HydrophobicContact CD2-CB 4.33Å; L89-R172 HydrophobicContact CG-CB 4.18Å; L89-R172 HydrophobicContact CG-CG 3.94Å; L89-L173 HydrophobicContact CD2-CB 3.76Å; L89-L173 HydrophobicContact CD2-CD1 3.52Å; L89-L173 HydrophobicContact CD2-CG 4.26Å; L89-V176 HydrophobicContact CD1-CG2 3.78Å |
| 90 | G | 92.2 | Very high | 94.2 | Very high | 4 Ų | 4 | 22 Ų | 22 | 4% | 0.041 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | 23.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L88 F642 | L88-G90 PolarHBondContact O-N 3.45Å; G90-F642 VanDerWaalsContact C-CE2 3.45Å |
| 91 | K | 92 | Very high | 94.2 | Very high | 10 Ų | 10 | 20.5 Ų | 20.5 | 4% | 0.043 | 11% | 0.108 | C | C | . | . | trans | -124.7 | 141.1 | -174.1 | -69.3 | 163.5 | -177.2 | 66.5 | 0 | 112.3 | S87 L88 L89 H95 M97 V98 L119 E169 | S87-K91 WeakPolarHBondContact O-CD 3.46Å; S87-K91 VanDerWaalsContact O-CE 3.25Å; S87-K91 WeakPolarHBondContact O-CE 3.46Å; L88-K91 PolarHBondContact O-N 3.31Å; L89-K91 VanDerWaalsContact C-N 3.26Å; L89-K91 PolarHBondContact O-N 2.82Å; L89-K91 PolarHBondContact O-NZ 3.24Å; K91-H95 HydrophobicContact CB-CB 3.94Å; K91-H95 HydrophobicContact CG-CB 4.31Å; K91-M97 HydrophobicContact CD-CB 4.32Å; K91-V98 HydrophobicContact CB-CG2 3.88Å; K91-L119 WeakPolarHBondContact O-CD1 3.36Å; K91-E169 VanDerWaalsContact NZ-CG 3.27Å; K91-E169 IonicContact NZ-OE1 3.72Å; K91-E169 PolarHBondContact NZ-OE1 3.01Å | ||
| 92 | S | 91 | Very high | 94.2 | Very high | 18 Ų | 18 | 24 Ų | 24 | 13% | 0.126 | 12% | 0.124 | C | C | . | . | trans | -79.8 | 166.2 | 172.9 | 70 | 0 | 0 | 0 | 0 | 112.2 | D94 H95 V98 | S92-D94 PolarHBondContact O-N 3.4Å; S92-D94 VanDerWaalsContact O-N 3.13Å; S92-H95 VanDerWaalsContact O-CB 3.26Å; S92-H95 WeakPolarHBondContact O-CB 3.45Å; S92-H95 PolarHBondContact O-N 3.44Å; S92-H95 VanDerWaalsContact O-N 3.11Å; S92-V98 WeakPolarHBondContact O-CG2 3.46Å | ||
| 93 | I | 92.5 | Very high | 94.1 | Very high | 46 Ų | 46 | 30.4 Ų | 30.4 | 24% | 0.236 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -29.2 | 179.5 | -165.1 | 61.7 | 0 | 0 | 0 | 113.9 | V98 L110 Y112 L119 | I93-V98 HydrophobicContact CD1-CG1 4.14Å; I93-L110 HydrophobicContact CD1-CD2 4.16Å; I93-L110 HydrophobicContact CD1-CG 4.44Å; I93-Y112 HydrophobicContact CB-CD1 4.34Å; I93-Y112 HydrophobicContact CB-CD2 4.43Å; I93-Y112 HydrophobicContact CB-CG 3.94Å; I93-Y112 HydrophobicContact CG2-CD1 4.07Å; I93-Y112 HydrophobicContact CG2-CG 4.19Å; I93-L119 HydrophobicContact CB-CD2 4.5Å; I93-L119 HydrophobicContact CD1-CD2 3.99Å |
| 94 | D | 89.9 | Confident | 93.9 | Very high | 89 Ų | 89 | 29.7 Ų | 29.7 | 48% | 0.476 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -9.2 | -176.7 | -76.3 | -51.6 | 0 | 0 | 0 | 114.3 | S92 K99 | S92-D94 PolarHBondContact O-N 3.4Å; S92-D94 VanDerWaalsContact O-N 3.13Å; D94-K99 WeakPolarHBondContact O-CE 3.38Å; D94-K99 PolarHBondContact O-NZ 3.05Å; D94-K99 IonicContact OD1-NZ 3.78Å |
| 95 | H | 90.8 | Very high | 93.9 | Very high | 13 Ų | 13 | 30.1 Ų | 30.1 | 6% | 0.06 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -61 | 136.2 | -178.1 | -173.4 | -83.5 | 0 | 0 | 0 | 111 | K91 S92 M97 V98 K99 F502 | K91-H95 HydrophobicContact CB-CB 3.94Å; K91-H95 HydrophobicContact CG-CB 4.31Å; S92-H95 VanDerWaalsContact O-CB 3.26Å; S92-H95 WeakPolarHBondContact O-CB 3.45Å; S92-H95 PolarHBondContact O-N 3.44Å; S92-H95 VanDerWaalsContact O-N 3.11Å; H95-M97 VanDerWaalsContact CE1-CG 3.46Å; H95-M97 WeakPolarHBondContact CE1-CG 3.16Å; H95-M97 WeakPolarHBondContact ND1-CB 3.31Å; H95-M97 PolarHBondContact ND1-N 3.5Å; H95-M97 PolarHBondContact O-N 2.86Å; H95-M97 VanDerWaalsContact O-N 3.09Å; H95-V98 HydrophobicContact CB-CG2 4.06Å; H95-V98 WeakPolarHBondContact O-CB 3.41Å; H95-V98 PolarHBondContact O-N 3.49Å; H95-K99 PolarHBondContact O-N 3.45Å; H95-F502 PolarHBondContact NE2-O 3.27Å |
| 96 | P | 91.7 | Very high | 93.9 | Very high | 42 Ų | 42 | 33.9 Ų | 33.9 | 27% | 0.273 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -56.7 | -32.6 | -176.2 | -28.4 | 35.9 | 0 | 0 | 0 | 114.5 | K99 L100 R501 F502 | P96-K99 PolarHBondContact O-N 2.87Å; P96-L100 WeakPolarHBondContact O-CB 3.33Å; P96-L100 PolarHBondContact O-N 3.41Å; P96-R501 VanDerWaalsContact CG-O 3.25Å; P96-R501 WeakPolarHBondContact CG-O 3.39Å; P96-F502 HydrophobicContact CB-CD1 4.21Å; P96-F502 HydrophobicContact CB-CE1 3.76Å; P96-F502 HydrophobicContact CB-CZ 4.39Å; P96-F502 HydrophobicContact CG-CE1 4.46Å |
| 97 | M | 91.9 | Very high | 93.8 | Very high | 9 Ų | 9 | 35.2 Ų | 35.2 | 4% | 0.044 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.2 | -31.2 | 175.2 | -59.2 | -77.5 | 63.7 | 0 | 0 | 114.3 | K91 H95 L100 F101 M221 P256 T257 F502 | K91-M97 HydrophobicContact CD-CB 4.32Å; H95-M97 VanDerWaalsContact CE1-CG 3.46Å; H95-M97 WeakPolarHBondContact CE1-CG 3.16Å; H95-M97 WeakPolarHBondContact ND1-CB 3.31Å; H95-M97 PolarHBondContact ND1-N 3.5Å; H95-M97 PolarHBondContact O-N 2.86Å; H95-M97 VanDerWaalsContact O-N 3.09Å; M97-L100 HydrophobicContact CE-CB 3.9Å; M97-L100 HydrophobicContact CE-CD2 3.28Å; M97-L100 HydrophobicContact CE-CG 4.22Å; M97-F101 WeakPolarHBondContact O-CB 3.46Å; M97-F101 PolarHBondContact O-N 2.89Å; M97-M221 HydrophobicContact SD-CE 3.84Å; M97-P256 HydrophobicContact SD-CB 4.23Å; M97-T257 HydrophobicContact CE-CG2 3.35Å; M97-T257 HydrophobicContact SD-CG2 4.02Å; M97-F502 HydrophobicContact CE-CE1 3.79Å; M97-F502 HydrophobicContact CG-CD1 3.96Å; M97-F502 HydrophobicContact CG-CE1 4.05Å; M97-F502 HydrophobicContact SD-CD1 4.3Å; M97-F502 HydrophobicContact SD-CE1 3.98Å |
| 98 | V | 95.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -71.8 | -41 | 175.6 | -179.9 | 0 | 0 | 0 | 0 | 109.9 | L88 K91 S92 I93 H95 F101 Q102 L110 L119 | L88-V98 HydrophobicContact CD2-CB 4.42Å; L88-V98 HydrophobicContact CD2-CG2 3.97Å; K91-V98 HydrophobicContact CB-CG2 3.88Å; S92-V98 WeakPolarHBondContact O-CG2 3.46Å; I93-V98 HydrophobicContact CD1-CG1 4.14Å; H95-V98 HydrophobicContact CB-CG2 4.06Å; H95-V98 WeakPolarHBondContact O-CB 3.41Å; H95-V98 PolarHBondContact O-N 3.49Å; V98-F101 WeakPolarHBondContact O-CB 3.48Å; V98-F101 PolarHBondContact O-N 3.29Å; V98-Q102 WeakPolarHBondContact O-CG 3.43Å; V98-Q102 PolarHBondContact O-N 3.16Å; V98-L110 HydrophobicContact CG1-CD2 3.64Å; V98-L119 HydrophobicContact CG1-CD1 4.21Å; V98-L119 HydrophobicContact CG1-CD2 4.49Å; V98-L119 HydrophobicContact CG2-CD1 3.82Å |
| 99 | K | 95.6 | Very high | 94 | Very high | 91 Ų | 91 | 40.4 Ų | 40.4 | 40% | 0.396 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59.8 | -48.8 | 173.1 | -69.5 | 172.7 | 174.5 | 151.8 | 0 | 111.8 | D94 H95 P96 F101 Q102 E103 | D94-K99 WeakPolarHBondContact O-CE 3.38Å; D94-K99 PolarHBondContact O-NZ 3.05Å; D94-K99 IonicContact OD1-NZ 3.78Å; H95-K99 PolarHBondContact O-N 3.45Å; P96-K99 PolarHBondContact O-N 2.87Å; K99-F101 VanDerWaalsContact C-N 3.27Å; K99-F101 PolarHBondContact O-N 3.03Å; K99-Q102 PolarHBondContact O-N 2.69Å; K99-Q102 VanDerWaalsContact O-N 3.13Å; K99-E103 WeakPolarHBondContact O-CG 3.3Å; K99-E103 PolarHBondContact O-N 3.44Å |
| 100 | L | 94.9 | Very high | 94.1 | Very high | 31 Ų | 31 | 41.2 Ų | 41.2 | 16% | 0.162 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.1 | -37.2 | 176.7 | -175.2 | 60.3 | 0 | 0 | 0 | 112.2 | P96 M97 E103 R104 | P96-L100 WeakPolarHBondContact O-CB 3.33Å; P96-L100 PolarHBondContact O-N 3.41Å; M97-L100 HydrophobicContact CE-CB 3.9Å; M97-L100 HydrophobicContact CE-CD2 3.28Å; M97-L100 HydrophobicContact CE-CG 4.22Å; L100-E103 PolarHBondContact O-N 2.75Å; L100-R104 WeakPolarHBondContact O-CB 3.41Å; L100-R104 VanDerWaalsContact O-CG 3.27Å; L100-R104 WeakPolarHBondContact O-CG 3.48Å; L100-R104 PolarHBondContact O-N 3.19Å; L100-R104 VanDerWaalsContact O-N 3.13Å |
| 101 | F | 96.7 | Very high | 94.4 | Very high | 7 Ų | 7 | 43.4 Ų | 43.4 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.3 | -47.5 | 173.4 | 175 | -84.3 | 0 | 0 | 0 | 111.6 | Q83 I85 L88 M97 V98 K99 E103 R104 Y105 H108 F121 | Q83-F101 WeakPolarHBondContact O-CE2 3.26Å; I85-F101 HydrophobicContact CD1-CE2 3.96Å; I85-F101 HydrophobicContact CD1-CZ 3.95Å; L88-F101 HydrophobicContact CD1-CD1 4.03Å; L88-F101 HydrophobicContact CD1-CD2 3.95Å; L88-F101 HydrophobicContact CD1-CE1 4.01Å; L88-F101 HydrophobicContact CD1-CE2 3.89Å; L88-F101 HydrophobicContact CD1-CG 4.03Å; L88-F101 HydrophobicContact CD1-CZ 3.94Å; L88-F101 HydrophobicContact CD2-CB 3.66Å; L88-F101 HydrophobicContact CD2-CD1 4.21Å; L88-F101 HydrophobicContact CD2-CD2 3.96Å; L88-F101 HydrophobicContact CD2-CG 3.68Å; L88-F101 HydrophobicContact CG-CD2 4.16Å; L88-F101 HydrophobicContact CG-CE2 4.49Å; L88-F101 HydrophobicContact CG-CG 4.29Å; M97-F101 WeakPolarHBondContact O-CB 3.46Å; M97-F101 PolarHBondContact O-N 2.89Å; V98-F101 WeakPolarHBondContact O-CB 3.48Å; V98-F101 PolarHBondContact O-N 3.29Å; K99-F101 VanDerWaalsContact C-N 3.27Å; K99-F101 PolarHBondContact O-N 3.03Å; F101-E103 VanDerWaalsContact C-N 3.3Å; F101-E103 PolarHBondContact O-N 3.11Å; F101-R104 PolarHBondContact O-N 3.4Å; F101-R104 VanDerWaalsContact O-N 3.08Å; F101-Y105 HydrophobicContact CD1-CD2 4.42Å; F101-Y105 AromaticContact CD2-CD2 3.5Å; F101-Y105 HydrophobicContact CD2-CD2 3.5Å; F101-Y105 VanDerWaalsContact CD2-CD2 3.5Å; F101-Y105 AromaticContact CD2-CE2 3.84Å; F101-Y105 HydrophobicContact CD2-CE2 3.84Å; F101-Y105 HydrophobicContact CD2-CG 4.49Å; F101-Y105 HydrophobicContact CE1-CD2 4.38Å; F101-Y105 AromaticContact CE2-CD2 3.48Å; F101-Y105 HydrophobicContact CE2-CD2 3.48Å; F101-Y105 VanDerWaalsContact CE2-CD2 3.48Å; F101-Y105 AromaticContact CE2-CE2 3.88Å; F101-Y105 HydrophobicContact CE2-CE2 3.88Å; F101-Y105 HydrophobicContact CE2-CG 4.12Å; F101-Y105 AromaticContact CG-CD2 3.99Å; F101-Y105 HydrophobicContact CG-CD2 3.99Å; F101-Y105 AromaticContact CZ-CD2 3.93Å; F101-Y105 HydrophobicContact CZ-CD2 3.93Å; F101-Y105 HydrophobicContact CZ-CG 4.17Å; F101-Y105 WeakPolarHBondContact O-CD2 3.4Å; F101-Y105 PolarHBondContact O-N 2.86Å; F101-H108 AromaticContact CE1-CD2 3.99Å; F101-H108 AromaticContact CZ-CD2 3.72Å; F101-F121 AromaticContact CE1-CE1 3.76Å; F101-F121 HydrophobicContact CE1-CE1 3.76Å; F101-F121 AromaticContact CE1-CZ 3.68Å; F101-F121 HydrophobicContact CE1-CZ 3.68Å; F101-F121 HydrophobicContact CZ-CE1 4.01Å; F101-F121 AromaticContact CZ-CZ 3.66Å; F101-F121 HydrophobicContact CZ-CZ 3.66Å |
| 102 | Q | 96.9 | Very high | 94.5 | Very high | 72 Ų | 72 | 46.9 Ų | 46.9 | 34% | 0.336 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.4 | -37.1 | 178.7 | -70.7 | 174.7 | -51.3 | 0 | 0 | 112.3 | V98 K99 R104 Y105 P106 L110 | V98-Q102 WeakPolarHBondContact O-CG 3.43Å; V98-Q102 PolarHBondContact O-N 3.16Å; K99-Q102 PolarHBondContact O-N 2.69Å; K99-Q102 VanDerWaalsContact O-N 3.13Å; Q102-R104 VanDerWaalsContact C-N 3.33Å; Q102-R104 PolarHBondContact O-N 2.87Å; Q102-Y105 CarbonylContact O-C 3.58Å; Q102-P106 VanDerWaalsContact O-CA 3.27Å; Q102-P106 WeakPolarHBondContact O-CA 3.47Å; Q102-L110 HydrophobicContact CG-CD2 4Å |
| 103 | E | 95.2 | Very high | 94.7 | Very high | 140 Ų | 140 | 48.6 Ų | 48.6 | 65% | 0.654 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -63.7 | -38 | 173.5 | -70.1 | 172.2 | -171.3 | 0 | 0 | 112.6 | K99 L100 F101 | K99-E103 WeakPolarHBondContact O-CG 3.3Å; K99-E103 PolarHBondContact O-N 3.44Å; L100-E103 PolarHBondContact O-N 2.75Å; F101-E103 VanDerWaalsContact C-N 3.3Å; F101-E103 PolarHBondContact O-N 3.11Å |
| 104 | R | 94.5 | Very high | 94.5 | Very high | 23 Ų | 23 | 50 Ų | 50 | 9% | 0.087 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -80.4 | -31.3 | -177.7 | -76.9 | 179.6 | 179.8 | 171.2 | 7.5 | 113.3 | L100 F101 Q102 P106 Y265 | L100-R104 WeakPolarHBondContact O-CB 3.41Å; L100-R104 VanDerWaalsContact O-CG 3.27Å; L100-R104 WeakPolarHBondContact O-CG 3.48Å; L100-R104 PolarHBondContact O-N 3.19Å; L100-R104 VanDerWaalsContact O-N 3.13Å; F101-R104 PolarHBondContact O-N 3.4Å; F101-R104 VanDerWaalsContact O-N 3.08Å; Q102-R104 VanDerWaalsContact C-N 3.33Å; Q102-R104 PolarHBondContact O-N 2.87Å; R104-P106 VanDerWaalsContact C-CD 3.45Å; R104-Y265 HydrophobicContact CB-CE1 4.31Å; R104-Y265 HydrophobicContact CB-CE2 4.19Å; R104-Y265 WeakPolarHBondContact CB-OH 3.3Å; R104-Y265 VanDerWaalsContact CD-CE2 3.46Å; R104-Y265 HydrophobicContact CG-CD2 4.15Å; R104-Y265 HydrophobicContact CG-CE1 4.1Å; R104-Y265 HydrophobicContact CG-CE2 3.58Å; R104-Y265 PolarHBondContact O-OH 2.85Å |
| 105 | Y | 96 | Very high | 94.5 | Very high | 14 Ų | 14 | 51.4 Ų | 51.4 | 6% | 0.055 | 28% | 0.277 | C | S | . | . | trans | -129.5 | 59.8 | -175.9 | -54.3 | -82.7 | 0 | 0 | 0 | 111.9 | Q83 S84 F101 Q102 Y107 H108 | Q83-Y105 HydrophobicContact CB-CE1 3.96Å; S84-Y105 PolarHBondContact OG-OH 3.25Å; F101-Y105 HydrophobicContact CD1-CD2 4.42Å; F101-Y105 AromaticContact CD2-CD2 3.5Å; F101-Y105 HydrophobicContact CD2-CD2 3.5Å; F101-Y105 VanDerWaalsContact CD2-CD2 3.5Å; F101-Y105 AromaticContact CD2-CE2 3.84Å; F101-Y105 HydrophobicContact CD2-CE2 3.84Å; F101-Y105 HydrophobicContact CD2-CG 4.49Å; F101-Y105 HydrophobicContact CE1-CD2 4.38Å; F101-Y105 AromaticContact CE2-CD2 3.48Å; F101-Y105 HydrophobicContact CE2-CD2 3.48Å; F101-Y105 VanDerWaalsContact CE2-CD2 3.48Å; F101-Y105 AromaticContact CE2-CE2 3.88Å; F101-Y105 HydrophobicContact CE2-CE2 3.88Å; F101-Y105 HydrophobicContact CE2-CG 4.12Å; F101-Y105 AromaticContact CG-CD2 3.99Å; F101-Y105 HydrophobicContact CG-CD2 3.99Å; F101-Y105 AromaticContact CZ-CD2 3.93Å; F101-Y105 HydrophobicContact CZ-CD2 3.93Å; F101-Y105 HydrophobicContact CZ-CG 4.17Å; F101-Y105 WeakPolarHBondContact O-CD2 3.4Å; F101-Y105 PolarHBondContact O-N 2.86Å; Q102-Y105 CarbonylContact O-C 3.58Å; Y105-Y107 HydrophobicContact CD1-CE2 4.33Å; Y105-Y107 AromaticContact CD1-CZ 3.9Å; Y105-Y107 WeakPolarHBondContact CD1-OH 3.48Å; Y105-Y107 PolarHBondContact O-N 3.45Å; Y105-H108 PolarHBondContact O-N 3.04Å | ||
| 106 | P | 95.2 | Very high | 94.4 | Very high | 81 Ų | 81 | 51 Ų | 51 | 53% | 0.526 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -5.3 | -170.3 | 29.8 | -38.2 | 0 | 0 | 0 | 114.8 | Q102 R104 | Q102-P106 VanDerWaalsContact O-CA 3.27Å; Q102-P106 WeakPolarHBondContact O-CA 3.47Å; R104-P106 VanDerWaalsContact C-CD 3.45Å |
| 107 | Y | 94.1 | Very high | 94.3 | Very high | 35 Ų | 35 | 49 Ų | 49 | 14% | 0.137 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -10.5 | 178.6 | 41.1 | -103.1 | 0 | 0 | 0 | 113.9 | P78 Y105 H290 | P78-Y107 HydrophobicContact CB-CD1 4.28Å; P78-Y107 HydrophobicContact CB-CD2 4.41Å; P78-Y107 HydrophobicContact CB-CE1 3.84Å; P78-Y107 HydrophobicContact CB-CE2 3.98Å; P78-Y107 WeakPolarHBondContact O-CE2 3.17Å; Y105-Y107 HydrophobicContact CD1-CE2 4.33Å; Y105-Y107 AromaticContact CD1-CZ 3.9Å; Y105-Y107 WeakPolarHBondContact CD1-OH 3.48Å; Y105-Y107 PolarHBondContact O-N 3.45Å; Y107-H290 HydrophobicContact CD1-CB 3.78Å; Y107-H290 AromaticContact CD1-CG 3.83Å; Y107-H290 AromaticContact CD1-ND1 3.73Å; Y107-H290 HydrophobicContact CG-CB 4.32Å |
| 108 | H | 97 | Very high | 94.4 | Very high | 23 Ų | 23 | 49.1 Ų | 49.1 | 11% | 0.106 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -83.6 | 134.7 | 177.2 | -70.7 | -48.8 | 0 | 0 | 0 | 111.4 | V81 F82 F101 Y105 L110 F121 | V81-H108 PolarHBondContact O-CE1 2.88Å; V81-H108 PolarHBondContact O-NE2 3.13Å; V81-H108 VanDerWaalsContact O-NE2 3.16Å; F82-H108 AromaticContact CD1-CE1 3.66Å; F82-H108 AromaticContact CE1-CE1 3.72Å; F82-H108 AromaticContact CE1-ND1 3.67Å; F101-H108 AromaticContact CE1-CD2 3.99Å; F101-H108 AromaticContact CZ-CD2 3.72Å; Y105-H108 PolarHBondContact O-N 3.04Å; H108-L110 PolarHBondContact O-N 3.17Å; H108-F121 HydrophobicContact CB-CD1 3.79Å; H108-F121 HydrophobicContact CB-CE1 3.64Å; H108-F121 AromaticContact CG-CE1 3.91Å |
| 109 | N | 96.2 | Very high | 94.5 | Very high | 97 Ų | 97 | 49.3 Ų | 49.3 | 52% | 0.519 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 93.9 | 170.3 | -174.9 | 3.9 | 0 | 0 | 0 | 109.5 | F121 T122 | N109-F121 WeakPolarHBondContact O-CA 3.31Å; N109-T122 PolarHBondContact O-N 3.3Å |
| 110 | L | 97.4 | Very high | 94.6 | Very high | 21 Ų | 21 | 47 Ų | 47 | 11% | 0.11 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 128.2 | -179 | -173.8 | 68.5 | 0 | 0 | 0 | 110.7 | I93 V98 Q102 H108 L119 F120 F121 | I93-L110 HydrophobicContact CD1-CD2 4.16Å; I93-L110 HydrophobicContact CD1-CG 4.44Å; V98-L110 HydrophobicContact CG1-CD2 3.64Å; Q102-L110 HydrophobicContact CG-CD2 4Å; H108-L110 PolarHBondContact O-N 3.17Å; L110-L119 HydrophobicContact CD1-CB 4.03Å; L110-L119 HydrophobicContact CD1-CD2 4.17Å; L110-L119 HydrophobicContact CD2-CD2 4.19Å; L110-L119 HydrophobicContact CG-CD2 4.14Å; L110-F120 CarbonylContact C-O 3.54Å; L110-F120 WeakPolarHBondContact CA-O 3.5Å; L110-F121 HydrophobicContact CB-CD1 4.45Å; L110-F121 HydrophobicContact CB-CE1 4.23Å; L110-F121 HydrophobicContact CD1-CD1 3.94Å; L110-F121 HydrophobicContact CD1-CD2 4.42Å; L110-F121 HydrophobicContact CD1-CE1 3.61Å; L110-F121 HydrophobicContact CD1-CE2 4.11Å; L110-F121 HydrophobicContact CD1-CG 4.36Å; L110-F121 HydrophobicContact CD1-CZ 3.7Å; L110-F121 HydrophobicContact CG-CE1 4.44Å |
| 111 | S | 96.9 | Very high | 94.7 | Very high | 50 Ų | 50 | 45.5 Ų | 45.5 | 35% | 0.35 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 164.5 | 174.8 | 60.1 | 0 | 0 | 0 | 0 | 110.9 | L119 F120 | S111-L119 CarbonylContact O-C 3.56Å; S111-L119 WeakPolarHBondContact O-CA 3.41Å; S111-F120 PolarHBondContact N-O 3.11Å; S111-F120 PolarHBondContact O-N 2.91Å; S111-F120 PolarHBondContact OG-O 3.48Å |
| 112 | Y | 95.9 | Very high | 94.8 | Very high | 83 Ų | 83 | 47.3 Ų | 47.3 | 33% | 0.325 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 131.8 | -177.4 | 177.5 | -107.5 | 0 | 0 | 0 | 110.4 | I93 A114 G117 Q118 L119 | I93-Y112 HydrophobicContact CB-CD1 4.34Å; I93-Y112 HydrophobicContact CB-CD2 4.43Å; I93-Y112 HydrophobicContact CB-CG 3.94Å; I93-Y112 HydrophobicContact CG2-CD1 4.07Å; I93-Y112 HydrophobicContact CG2-CG 4.19Å; Y112-A114 HydrophobicContact CD1-CB 4.48Å; Y112-A114 HydrophobicContact CE1-CB 3.93Å; Y112-G117 VanDerWaalsContact CE2-O 3.26Å; Y112-G117 WeakPolarHBondContact CE2-O 3.4Å; Y112-Q118 WeakPolarHBondContact CA-O 3.23Å; Y112-Q118 WeakPolarHBondContact CD2-O 3.35Å; Y112-L119 HydrophobicContact CD2-CD2 3.85Å; Y112-L119 HydrophobicContact CD2-CG 4.24Å; Y112-L119 HydrophobicContact CG-CD2 4.39Å |
| 113 | D | 94.1 | Very high | 94.6 | Very high | 54 Ų | 54 | 44.7 Ų | 44.7 | 29% | 0.289 | 25% | 0.246 | S | C | . | . | trans | -102.8 | 113.7 | 169.7 | 171.8 | 26 | 0 | 0 | 0 | 109.5 | T115 S116 G117 Q118 F120 | D113-T115 PolarHBondContact O-N 3.08Å; D113-T115 VanDerWaalsContact OD1-CB 3.31Å; D113-T115 WeakPolarHBondContact OD1-CB 3.49Å; D113-T115 PolarHBondContact OD1-N 3.27Å; D113-T115 PolarHBondContact OD1-OG1 3.02Å; D113-T115 VanDerWaalsContact OD1-OG1 3.09Å; D113-S116 WeakPolarHBondContact CB-OG 3.05Å; D113-S116 WeakPolarHBondContact OD2-CB 3.49Å; D113-S116 PolarHBondContact OD2-N 2.74Å; D113-S116 PolarHBondContact OD2-OG 3.31Å; D113-G117 CarbonylContact O-C 3.58Å; D113-G117 VanDerWaalsContact O-CA 3.29Å; D113-G117 WeakPolarHBondContact O-CA 3.43Å; D113-G117 PolarHBondContact O-N 3.33Å; D113-Q118 PolarHBondContact N-O 2.81Å; D113-Q118 PolarHBondContact O-N 3.02Å; D113-F120 HydrophobicContact CB-CD2 4.46Å; D113-F120 HydrophobicContact CB-CE2 3.85Å | ||
| 114 | A | 88.8 | Confident | 94.2 | Very high | 76 Ų | 76 | 46 Ų | 46 | 63% | 0.628 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -19.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y112 | Y112-A114 HydrophobicContact CD1-CB 4.48Å; Y112-A114 HydrophobicContact CE1-CB 3.93Å |
| 115 | T | 89.8 | Confident | 94 | Very high | 118 Ų | 118 | 49.9 Ų | 49.9 | 72% | 0.724 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -51.9 | -179.6 | -43 | 0 | 0 | 0 | 0 | 111 | D113 | D113-T115 PolarHBondContact O-N 3.08Å; D113-T115 VanDerWaalsContact OD1-CB 3.31Å; D113-T115 WeakPolarHBondContact OD1-CB 3.49Å; D113-T115 PolarHBondContact OD1-N 3.27Å; D113-T115 PolarHBondContact OD1-OG1 3.02Å; D113-T115 VanDerWaalsContact OD1-OG1 3.09Å |
| 116 | S | 88.9 | Confident | 93.8 | Very high | 5 Ų | 5 | 51.5 Ų | 51.5 | 4% | 0.035 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -13.6 | 177.9 | 59.5 | 0 | 0 | 0 | 0 | 113.6 | D113 Q118 E649 | D113-S116 WeakPolarHBondContact CB-OG 3.05Å; D113-S116 WeakPolarHBondContact OD2-CB 3.49Å; D113-S116 PolarHBondContact OD2-N 2.74Å; D113-S116 PolarHBondContact OD2-OG 3.31Å; S116-Q118 PolarHBondContact O-N 3.48Å; S116-Q118 WeakPolarHBondContact OG-CB 3.35Å; S116-Q118 PolarHBondContact OG-N 2.86Å; S116-E649 WeakPolarHBondContact CB-OE1 3.33Å |
| 117 | G | 89.2 | Confident | 93.7 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | trans | 71.6 | 5.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y112 D113 F642 | Y112-G117 VanDerWaalsContact CE2-O 3.26Å; Y112-G117 WeakPolarHBondContact CE2-O 3.4Å; D113-G117 CarbonylContact O-C 3.58Å; D113-G117 VanDerWaalsContact O-CA 3.29Å; D113-G117 WeakPolarHBondContact O-CA 3.43Å; D113-G117 PolarHBondContact O-N 3.33Å; G117-F642 WeakPolarHBondContact O-CE2 3.42Å; G117-F642 WeakPolarHBondContact O-CZ 3.5Å | ||
| 118 | Q | 94.1 | Very high | 93.8 | Very high | 11 Ų | 11 | 51.5 Ų | 51.5 | 5% | 0.051 | 30% | 0.295 | C | S | . | . | trans | -88 | 148.8 | -171 | -67.9 | -177.9 | -71.8 | 0 | 0 | 113.5 | Y112 D113 S116 F120 D132 | Y112-Q118 WeakPolarHBondContact CA-O 3.23Å; Y112-Q118 WeakPolarHBondContact CD2-O 3.35Å; D113-Q118 PolarHBondContact N-O 2.81Å; D113-Q118 PolarHBondContact O-N 3.02Å; S116-Q118 PolarHBondContact O-N 3.48Å; S116-Q118 WeakPolarHBondContact OG-CB 3.35Å; S116-Q118 PolarHBondContact OG-N 2.86Å; Q118-F120 HydrophobicContact CB-CD2 4.24Å; Q118-F120 HydrophobicContact CB-CE2 3.47Å; Q118-F120 VanDerWaalsContact CB-CE2 3.47Å; Q118-F120 HydrophobicContact CB-CZ 3.74Å; Q118-D132 PolarHBondContact NE2-OD2 3.4Å | ||
| 119 | L | 97.1 | Very high | 93.8 | Very high | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 138.1 | 167.6 | -73.7 | 170.8 | 0 | 0 | 0 | 110.2 | L88 K91 I93 V98 L110 S111 Y112 S130 V131 | L88-L119 HydrophobicContact CB-CD1 4.12Å; K91-L119 WeakPolarHBondContact O-CD1 3.36Å; I93-L119 HydrophobicContact CB-CD2 4.5Å; I93-L119 HydrophobicContact CD1-CD2 3.99Å; V98-L119 HydrophobicContact CG1-CD1 4.21Å; V98-L119 HydrophobicContact CG1-CD2 4.49Å; V98-L119 HydrophobicContact CG2-CD1 3.82Å; L110-L119 HydrophobicContact CD1-CB 4.03Å; L110-L119 HydrophobicContact CD1-CD2 4.17Å; L110-L119 HydrophobicContact CD2-CD2 4.19Å; L110-L119 HydrophobicContact CG-CD2 4.14Å; S111-L119 CarbonylContact O-C 3.56Å; S111-L119 WeakPolarHBondContact O-CA 3.41Å; Y112-L119 HydrophobicContact CD2-CD2 3.85Å; Y112-L119 HydrophobicContact CD2-CG 4.24Å; Y112-L119 HydrophobicContact CG-CD2 4.39Å; L119-S130 CarbonylContact O-C 3.55Å; L119-S130 VanDerWaalsContact O-CA 3.31Å; L119-S130 WeakPolarHBondContact O-CA 3.49Å; L119-V131 HydrophobicContact CB-CB 4.4Å; L119-V131 HydrophobicContact CB-CG2 3.59Å; L119-V131 HydrophobicContact CD1-CG2 4.45Å; L119-V131 PolarHBondContact O-N 2.72Å |
| 120 | F | 97.9 | Very high | 93.9 | Very high | 41 Ų | 41 | 46.1 Ų | 46.1 | 18% | 0.18 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 137 | -177.8 | -64.2 | -92.8 | 0 | 0 | 0 | 112.2 | L110 S111 D113 Q118 V128 F129 | L110-F120 CarbonylContact C-O 3.54Å; L110-F120 WeakPolarHBondContact CA-O 3.5Å; S111-F120 PolarHBondContact N-O 3.11Å; S111-F120 PolarHBondContact O-N 2.91Å; S111-F120 PolarHBondContact OG-O 3.48Å; D113-F120 HydrophobicContact CB-CD2 4.46Å; D113-F120 HydrophobicContact CB-CE2 3.85Å; Q118-F120 HydrophobicContact CB-CD2 4.24Å; Q118-F120 HydrophobicContact CB-CE2 3.47Å; Q118-F120 VanDerWaalsContact CB-CE2 3.47Å; Q118-F120 HydrophobicContact CB-CZ 3.74Å; F120-V128 HydrophobicContact CB-CG1 3.92Å; F120-V128 HydrophobicContact CD1-CG1 3.79Å; F120-V128 HydrophobicContact CG-CG1 4.23Å; F120-F129 CarbonylContact C-O 3.58Å; F120-F129 WeakPolarHBondContact CA-O 3.49Å |
| 121 | F | 97.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 0% | 0.004 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 132.1 | 169.7 | -67.8 | -75.4 | 0 | 0 | 0 | 110.9 | F82 I85 L88 F101 H108 N109 L110 V128 F129 V131 L134 | F82-F121 HydrophobicContact CD1-CB 4.45Å; F82-F121 HydrophobicContact CD1-CD1 4.24Å; F82-F121 HydrophobicContact CD1-CD2 4.01Å; F82-F121 HydrophobicContact CD1-CE1 4.45Å; F82-F121 HydrophobicContact CD1-CE2 4.24Å; F82-F121 AromaticContact CD1-CG 3.98Å; F82-F121 HydrophobicContact CD1-CG 3.98Å; F82-F121 HydrophobicContact CD1-CZ 4.46Å; F82-F121 HydrophobicContact CE1-CB 3.54Å; F82-F121 AromaticContact CE1-CD1 3.74Å; F82-F121 HydrophobicContact CE1-CD1 3.74Å; F82-F121 AromaticContact CE1-CD2 3.92Å; F82-F121 HydrophobicContact CE1-CD2 3.92Å; F82-F121 HydrophobicContact CE1-CE1 4.37Å; F82-F121 AromaticContact CE1-CG 3.46Å; F82-F121 HydrophobicContact CE1-CG 3.46Å; F82-F121 VanDerWaalsContact CE1-CG 3.46Å; F82-F121 HydrophobicContact CZ-CB 4.07Å; F82-F121 HydrophobicContact CZ-CG 4.44Å; I85-F121 HydrophobicContact CD1-CE2 3.83Å; I85-F121 HydrophobicContact CD1-CZ 3.91Å; L88-F121 HydrophobicContact CD1-CE2 4.07Å; L88-F121 HydrophobicContact CD1-CZ 3.69Å; F101-F121 AromaticContact CE1-CE1 3.76Å; F101-F121 HydrophobicContact CE1-CE1 3.76Å; F101-F121 AromaticContact CE1-CZ 3.68Å; F101-F121 HydrophobicContact CE1-CZ 3.68Å; F101-F121 HydrophobicContact CZ-CE1 4.01Å; F101-F121 AromaticContact CZ-CZ 3.66Å; F101-F121 HydrophobicContact CZ-CZ 3.66Å; H108-F121 HydrophobicContact CB-CD1 3.79Å; H108-F121 HydrophobicContact CB-CE1 3.64Å; H108-F121 AromaticContact CG-CE1 3.91Å; N109-F121 WeakPolarHBondContact O-CA 3.31Å; L110-F121 HydrophobicContact CB-CD1 4.45Å; L110-F121 HydrophobicContact CB-CE1 4.23Å; L110-F121 HydrophobicContact CD1-CD1 3.94Å; L110-F121 HydrophobicContact CD1-CD2 4.42Å; L110-F121 HydrophobicContact CD1-CE1 3.61Å; L110-F121 HydrophobicContact CD1-CE2 4.11Å; L110-F121 HydrophobicContact CD1-CG 4.36Å; L110-F121 HydrophobicContact CD1-CZ 3.7Å; L110-F121 HydrophobicContact CG-CE1 4.44Å; F121-V128 WeakPolarHBondContact O-CA 3.48Å; F121-F129 PolarHBondContact N-O 2.97Å; F121-F129 PolarHBondContact O-N 2.98Å; F121-V131 HydrophobicContact CD2-CG2 4.41Å; F121-V131 HydrophobicContact CE2-CG2 3.82Å; F121-L134 HydrophobicContact CD2-CD1 3.55Å; F121-L134 HydrophobicContact CE2-CD1 3.96Å |
| 122 | T | 97.1 | Very high | 93.9 | Very high | 45 Ų | 45 | 43.1 Ų | 43.1 | 28% | 0.276 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 120 | 172.5 | -54.4 | 0 | 0 | 0 | 0 | 110.2 | N109 V128 | N109-T122 PolarHBondContact O-N 3.3Å; T122-V128 HydrophobicContact CG2-CG2 4.17Å |
| 123 | L | 92.6 | Very high | 94.1 | Very high | 16 Ų | 16 | 39.4 Ų | 39.4 | 8% | 0.084 | 23% | 0.232 | C | C | . | . | trans | -75.8 | 164.5 | 173.6 | -79 | 71.5 | 0 | 0 | 0 | 110.5 | F59 F82 D125 G126 V127 F129 | F59-L123 HydrophobicContact CB-CD2 4.01Å; F59-L123 HydrophobicContact CD2-CD2 4.17Å; F59-L123 HydrophobicContact CG-CD2 4.04Å; F82-L123 HydrophobicContact CE2-CD1 4.06Å; F82-L123 HydrophobicContact CZ-CD1 3.67Å; F82-L123 HydrophobicContact CZ-CG 4.31Å; L123-D125 WeakPolarHBondContact CB-OD1 3.29Å; L123-D125 PolarHBondContact O-N 3.5Å; L123-G126 PolarHBondContact O-N 2.84Å; L123-V127 HydrophobicContact CB-CB 4.41Å; L123-V127 PolarHBondContact N-O 2.89Å; L123-F129 HydrophobicContact CD1-CD2 3.67Å; L123-F129 HydrophobicContact CD1-CE2 4Å; L123-F129 HydrophobicContact CD2-CE2 4.36Å | ||
| 124 | K | 88 | Confident | 94.3 | Very high | 167 Ų | 167 | 36.8 Ų | 36.8 | 73% | 0.726 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -27.3 | -177.9 | -75.4 | -179 | 172.9 | 173.4 | 0 | 114.1 | E79 | E79-K124 HydrophobicContact CG-CD 4.3Å; E79-K124 IonicContact OE1-NZ 2.74Å; E79-K124 PolarHBondContact OE1-NZ 3.43Å |
| 125 | D | 89.1 | Confident | 94.7 | Very high | 105 Ų | 105 | 33.2 Ų | 33.2 | 56% | 0.561 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | 0 | 175.8 | 58.1 | 5.7 | 0 | 0 | 0 | 113.1 | L123 V127 | L123-D125 WeakPolarHBondContact CB-OD1 3.29Å; L123-D125 PolarHBondContact O-N 3.5Å; D125-V127 WeakPolarHBondContact OD1-CB 3.5Å; D125-V127 WeakPolarHBondContact OD1-CG2 3.36Å; D125-V127 PolarHBondContact OD1-N 3.36Å |
| 126 | G | 92.5 | Very high | 95.1 | Very high | 49 Ų | 49 | 27.6 Ų | 27.6 | 51% | 0.505 | 15% | 0.154 | S | C | . | . | S | Bend | trans | 86.1 | 1.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L123 V128 | L123-G126 PolarHBondContact O-N 2.84Å; G126-V128 PolarHBondContact O-N 3.41Å |
| 127 | V | 93.2 | Very high | 95.6 | Very high | 60 Ų | 60 | 27.3 Ų | 27.3 | 36% | 0.364 | 15% | 0.153 | S | C | . | . | trans | -67.6 | 132.9 | 174.1 | 178.8 | 0 | 0 | 0 | 0 | 109.5 | L123 D125 F129 | L123-V127 HydrophobicContact CB-CB 4.41Å; L123-V127 PolarHBondContact N-O 2.89Å; D125-V127 WeakPolarHBondContact OD1-CB 3.5Å; D125-V127 WeakPolarHBondContact OD1-CG2 3.36Å; D125-V127 PolarHBondContact OD1-N 3.36Å; V127-F129 HydrophobicContact CG1-CD2 4.16Å; V127-F129 HydrophobicContact CG1-CE1 4.21Å; V127-F129 HydrophobicContact CG1-CE2 3.47Å; V127-F129 VanDerWaalsContact CG1-CE2 3.47Å; V127-F129 HydrophobicContact CG1-CZ 3.5Å; V127-F129 VanDerWaalsContact CG1-CZ 3.5Å | ||
| 128 | V | 96.4 | Very high | 96 | Very high | 55 Ų | 55 | 27.4 Ų | 27.4 | 33% | 0.333 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 128.7 | -178.1 | -178.4 | 0 | 0 | 0 | 0 | 110.5 | F120 F121 T122 G126 K656 | F120-V128 HydrophobicContact CB-CG1 3.92Å; F120-V128 HydrophobicContact CD1-CG1 3.79Å; F120-V128 HydrophobicContact CG-CG1 4.23Å; F121-V128 WeakPolarHBondContact O-CA 3.48Å; T122-V128 HydrophobicContact CG2-CG2 4.17Å; G126-V128 PolarHBondContact O-N 3.41Å; V128-K656 PolarHBondContact O-NZ 3.13Å |
| 129 | F | 97.3 | Very high | 96.2 | Very high | 7 Ų | 7 | 26.9 Ų | 26.9 | 3% | 0.031 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 134.5 | 171.9 | -65.2 | -65.2 | 0 | 0 | 0 | 111 | F59 F120 F121 L123 V127 E133 L134 M137 K656 L660 | F59-F129 HydrophobicContact CD1-CE2 4.21Å; F59-F129 HydrophobicContact CE1-CD2 4.4Å; F59-F129 AromaticContact CE1-CE2 3.52Å; F59-F129 HydrophobicContact CE1-CE2 3.52Å; F59-F129 AromaticContact CE1-CZ 3.67Å; F59-F129 HydrophobicContact CE1-CZ 3.67Å; F59-F129 HydrophobicContact CE2-CD2 4.19Å; F59-F129 HydrophobicContact CE2-CE2 4.02Å; F59-F129 AromaticContact CZ-CD2 3.84Å; F59-F129 HydrophobicContact CZ-CD2 3.84Å; F59-F129 AromaticContact CZ-CE2 3.41Å; F59-F129 HydrophobicContact CZ-CE2 3.41Å; F59-F129 VanDerWaalsContact CZ-CE2 3.41Å; F59-F129 AromaticContact CZ-CZ 3.84Å; F59-F129 HydrophobicContact CZ-CZ 3.84Å; F120-F129 CarbonylContact C-O 3.58Å; F120-F129 WeakPolarHBondContact CA-O 3.49Å; F121-F129 PolarHBondContact N-O 2.97Å; F121-F129 PolarHBondContact O-N 2.98Å; L123-F129 HydrophobicContact CD1-CD2 3.67Å; L123-F129 HydrophobicContact CD1-CE2 4Å; L123-F129 HydrophobicContact CD2-CE2 4.36Å; V127-F129 HydrophobicContact CG1-CD2 4.16Å; V127-F129 HydrophobicContact CG1-CE1 4.21Å; V127-F129 HydrophobicContact CG1-CE2 3.47Å; V127-F129 VanDerWaalsContact CG1-CE2 3.47Å; V127-F129 HydrophobicContact CG1-CZ 3.5Å; V127-F129 VanDerWaalsContact CG1-CZ 3.5Å; F129-E133 WeakPolarHBondContact CA-OE2 3.22Å; F129-L134 HydrophobicContact CB-CD2 4.07Å; F129-L134 HydrophobicContact CB-CG 4.04Å; F129-L134 HydrophobicContact CD2-CD2 4.45Å; F129-L134 HydrophobicContact CG-CD2 4.27Å; F129-M137 HydrophobicContact CD1-CE 3.56Å; F129-M137 HydrophobicContact CE1-CE 3.53Å; F129-M137 HydrophobicContact CG-CE 4.35Å; F129-M137 HydrophobicContact CZ-CE 4.28Å; F129-K656 HydrophobicContact CD1-CD 3.94Å; F129-K656 HydrophobicContact CE1-CD 3.84Å; F129-L660 HydrophobicContact CE1-CD1 3.94Å; F129-L660 HydrophobicContact CZ-CD1 4.36Å |
| 130 | S | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 157.5 | 164.9 | 67.5 | 0 | 0 | 0 | 0 | 110.6 | L119 D132 E133 L134 | L119-S130 CarbonylContact O-C 3.55Å; L119-S130 VanDerWaalsContact O-CA 3.31Å; L119-S130 WeakPolarHBondContact O-CA 3.49Å; S130-D132 PolarHBondContact O-N 3.33Å; S130-E133 PolarHBondContact N-OE2 2.96Å; S130-E133 PolarHBondContact O-N 3.27Å; S130-E133 WeakPolarHBondContact OG-CB 3.45Å; S130-E133 VanDerWaalsContact OG-CG 3.23Å; S130-E133 WeakPolarHBondContact OG-CG 3.13Å; S130-E133 PolarHBondContact OG-N 2.95Å; S130-L134 PolarHBondContact O-N 3.09Å; S130-L134 VanDerWaalsContact O-N 3.13Å |
| 131 | V | 97.9 | Very high | 96.2 | Very high | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.018 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -52.8 | -41.2 | 168.5 | 165.1 | 0 | 0 | 0 | 0 | 110.5 | I85 L88 L119 F121 L134 V135 | I85-V131 HydrophobicContact CG2-CG1 3.94Å; L88-V131 HydrophobicContact CB-CG1 3.99Å; L88-V131 HydrophobicContact CB-CG2 3.97Å; L88-V131 HydrophobicContact CD1-CG2 4.07Å; L119-V131 HydrophobicContact CB-CB 4.4Å; L119-V131 HydrophobicContact CB-CG2 3.59Å; L119-V131 HydrophobicContact CD1-CG2 4.45Å; L119-V131 PolarHBondContact O-N 2.72Å; F121-V131 HydrophobicContact CD2-CG2 4.41Å; F121-V131 HydrophobicContact CE2-CG2 3.82Å; V131-L134 PolarHBondContact O-N 2.95Å; V131-V135 HydrophobicContact CG1-CG2 4.47Å; V131-V135 WeakPolarHBondContact O-CG2 3.33Å; V131-V135 PolarHBondContact O-N 3.23Å |
| 132 | D | 97.5 | Very high | 96.2 | Very high | 6 Ų | 6 | 27 Ų | 27 | 3% | 0.032 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.6 | -45.3 | 178.4 | -65.1 | -6.5 | 0 | 0 | 0 | 112.8 | Q118 S130 L134 V135 A136 R172 V176 I179 | Q118-D132 PolarHBondContact NE2-OD2 3.4Å; S130-D132 PolarHBondContact O-N 3.33Å; D132-L134 VanDerWaalsContact C-N 3.3Å; D132-L134 PolarHBondContact O-N 2.8Å; D132-V135 PolarHBondContact O-N 3.39Å; D132-A136 VanDerWaalsContact O-CB 3.27Å; D132-A136 WeakPolarHBondContact O-CB 3.49Å; D132-A136 PolarHBondContact O-N 3.44Å; D132-R172 IonicContact OD1-NE 3.84Å; D132-R172 PolarHBondContact OD1-NE 3.43Å; D132-R172 IonicContact OD2-CZ 3.91Å; D132-R172 IonicContact OD2-NE 2.65Å; D132-R172 PolarHBondContact OD2-NE 2.89Å; D132-R172 IonicContact OD2-NH2 2.68Å; D132-R172 PolarHBondContact OD2-NH2 2.91Å; D132-V176 HydrophobicContact CB-CG2 3.6Å; D132-I179 HydrophobicContact CB-CD1 4.06Å |
| 133 | E | 98.2 | Very high | 96.2 | Very high | 4 Ų | 4 | 26.1 Ų | 26.1 | 2% | 0.019 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.4 | -41.7 | 177 | -75.3 | 167.2 | 165.1 | 0 | 0 | 110.5 | F129 S130 A136 M137 S653 K656 L657 | F129-E133 WeakPolarHBondContact CA-OE2 3.22Å; S130-E133 PolarHBondContact N-OE2 2.96Å; S130-E133 PolarHBondContact O-N 3.27Å; S130-E133 WeakPolarHBondContact OG-CB 3.45Å; S130-E133 VanDerWaalsContact OG-CG 3.23Å; S130-E133 WeakPolarHBondContact OG-CG 3.13Å; S130-E133 PolarHBondContact OG-N 2.95Å; E133-A136 PolarHBondContact O-N 3.48Å; E133-M137 HydrophobicContact CB-CE 4.36Å; E133-M137 WeakPolarHBondContact O-CG 3.4Å; E133-M137 PolarHBondContact O-N 3.12Å; E133-S653 WeakPolarHBondContact CG-OG 3.42Å; E133-S653 PolarHBondContact OE1-OG 3.25Å; E133-K656 VanDerWaalsContact OE1-CE 3.28Å; E133-K656 WeakPolarHBondContact OE1-CE 3.5Å; E133-K656 IonicContact OE1-NZ 3.67Å; E133-K656 PolarHBondContact OE1-NZ 3.29Å; E133-K656 IonicContact OE2-NZ 2.72Å; E133-K656 PolarHBondContact OE2-NZ 3.02Å; E133-L657 HydrophobicContact CB-CD1 4.22Å; E133-L657 HydrophobicContact CG-CD1 4.23Å |
| 134 | L | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.1 | -44.3 | 175.7 | -65.6 | 173.3 | 0 | 0 | 0 | 111.8 | I57 F59 F82 I85 F121 F129 S130 V131 D132 A136 M137 L138 | I57-L134 HydrophobicContact CD1-CB 3.92Å; I57-L134 HydrophobicContact CD1-CD2 4.04Å; I57-L134 WeakPolarHBondContact CD1-O 3.35Å; F59-L134 HydrophobicContact CE2-CD2 3.94Å; F59-L134 HydrophobicContact CZ-CD2 4.04Å; F82-L134 HydrophobicContact CB-CD1 4.22Å; F82-L134 HydrophobicContact CD1-CD1 3.82Å; F82-L134 HydrophobicContact CD2-CD1 4.48Å; F82-L134 HydrophobicContact CD2-CD2 4.27Å; F82-L134 HydrophobicContact CE1-CD1 4.34Å; F82-L134 HydrophobicContact CG-CD1 3.91Å; F82-L134 HydrophobicContact CG-CD2 4.42Å; I85-L134 HydrophobicContact CG1-CD1 4.49Å; I85-L134 HydrophobicContact CG2-CB 4.05Å; I85-L134 HydrophobicContact CG2-CD1 4.25Å; F121-L134 HydrophobicContact CD2-CD1 3.55Å; F121-L134 HydrophobicContact CE2-CD1 3.96Å; F129-L134 HydrophobicContact CB-CD2 4.07Å; F129-L134 HydrophobicContact CB-CG 4.04Å; F129-L134 HydrophobicContact CD2-CD2 4.45Å; F129-L134 HydrophobicContact CG-CD2 4.27Å; S130-L134 PolarHBondContact O-N 3.09Å; S130-L134 VanDerWaalsContact O-N 3.13Å; V131-L134 PolarHBondContact O-N 2.95Å; D132-L134 VanDerWaalsContact C-N 3.3Å; D132-L134 PolarHBondContact O-N 2.8Å; L134-A136 VanDerWaalsContact C-N 3.34Å; L134-A136 PolarHBondContact O-N 2.85Å; L134-M137 HydrophobicContact CD2-SD 4.47Å; L134-M137 WeakPolarHBondContact O-CB 3.46Å; L134-M137 PolarHBondContact O-N 3.35Å; L134-L138 PolarHBondContact O-N 2.78Å; L134-L138 VanDerWaalsContact O-N 3.15Å |
| 135 | V | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.7 | -37.9 | 176.7 | 179 | 0 | 0 | 0 | 0 | 111.2 | L25 I85 P86 L89 V131 D132 M137 L138 F139 V176 | L25-V135 HydrophobicContact CD2-CG1 3.92Å; I85-V135 HydrophobicContact CG2-CG2 4.03Å; P86-V135 HydrophobicContact CG-CG2 4.47Å; L89-V135 HydrophobicContact CD1-CG2 4.45Å; V131-V135 HydrophobicContact CG1-CG2 4.47Å; V131-V135 WeakPolarHBondContact O-CG2 3.33Å; V131-V135 PolarHBondContact O-N 3.23Å; D132-V135 PolarHBondContact O-N 3.39Å; V135-M137 VanDerWaalsContact C-N 3.3Å; V135-M137 PolarHBondContact O-N 3.48Å; V135-L138 WeakPolarHBondContact O-CB 3.46Å; V135-L138 PolarHBondContact O-N 2.86Å; V135-L138 VanDerWaalsContact O-N 3.08Å; V135-F139 HydrophobicContact CG1-CD2 4.48Å; V135-F139 HydrophobicContact CG1-CE1 4.47Å; V135-F139 HydrophobicContact CG1-CE2 4.13Å; V135-F139 HydrophobicContact CG1-CZ 4.15Å; V135-F139 PolarHBondContact O-N 3.35Å; V135-V176 HydrophobicContact CB-CG1 3.79Å; V135-V176 HydrophobicContact CG1-CG1 3.68Å |
| 136 | A | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.4 | -36.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | D132 E133 L134 L138 F139 E140 V176 I179 A180 L657 | D132-A136 VanDerWaalsContact O-CB 3.27Å; D132-A136 WeakPolarHBondContact O-CB 3.49Å; D132-A136 PolarHBondContact O-N 3.44Å; E133-A136 PolarHBondContact O-N 3.48Å; L134-A136 VanDerWaalsContact C-N 3.34Å; L134-A136 PolarHBondContact O-N 2.85Å; A136-L138 VanDerWaalsContact C-N 3.34Å; A136-L138 PolarHBondContact O-N 3.17Å; A136-F139 PolarHBondContact O-N 3.38Å; A136-E140 WeakPolarHBondContact O-CB 3.49Å; A136-E140 PolarHBondContact O-N 3.49Å; A136-V176 HydrophobicContact CB-CG1 4.04Å; A136-I179 HydrophobicContact CB-CB 3.79Å; A136-I179 HydrophobicContact CB-CG2 3.56Å; A136-A180 HydrophobicContact CB-CB 4.3Å; A136-L657 HydrophobicContact CB-CD2 3.74Å |
| 137 | M | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.9 | -35.7 | 172.4 | -68 | 179.2 | -152.3 | 0 | 0 | 112.5 | I57 F59 R64 F66 F129 E133 L134 V135 Y141 L657 L660 | I57-M137 HydrophobicContact CD1-CB 3.99Å; F59-M137 HydrophobicContact CZ-SD 4.11Å; R64-M137 VanDerWaalsContact CD-SD 3.57Å; F66-M137 HydrophobicContact CE1-CB 4.06Å; F66-M137 WeakPolarHBondContact CE1-O 3.36Å; F66-M137 HydrophobicContact CZ-CB 4.27Å; F129-M137 HydrophobicContact CD1-CE 3.56Å; F129-M137 HydrophobicContact CE1-CE 3.53Å; F129-M137 HydrophobicContact CG-CE 4.35Å; F129-M137 HydrophobicContact CZ-CE 4.28Å; E133-M137 HydrophobicContact CB-CE 4.36Å; E133-M137 WeakPolarHBondContact O-CG 3.4Å; E133-M137 PolarHBondContact O-N 3.12Å; L134-M137 HydrophobicContact CD2-SD 4.47Å; L134-M137 WeakPolarHBondContact O-CB 3.46Å; L134-M137 PolarHBondContact O-N 3.35Å; V135-M137 VanDerWaalsContact C-N 3.3Å; V135-M137 PolarHBondContact O-N 3.48Å; M137-Y141 WeakPolarHBondContact O-CB 3.5Å; M137-Y141 PolarHBondContact O-N 3.11Å; M137-L657 HydrophobicContact CE-CD1 4.18Å; M137-L657 HydrophobicContact CG-CD1 4.33Å; M137-L657 HydrophobicContact CG-CD2 4.28Å; M137-L657 HydrophobicContact CG-CG 4.12Å; M137-L660 HydrophobicContact CE-CD1 3.44Å; M137-L660 VanDerWaalsContact CE-CD1 3.44Å; M137-L660 HydrophobicContact SD-CD1 4.18Å |
| 138 | L | 98.2 | Very high | 97.2 | Very high | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.7 | -40.6 | 173.1 | -71.2 | 165.8 | 0 | 0 | 0 | 111.2 | T55 I57 F66 L134 V135 A136 Y141 A142 | T55-L138 HydrophobicContact CG2-CD1 3.63Å; I57-L138 HydrophobicContact CD1-CD1 4.3Å; I57-L138 HydrophobicContact CD1-CD2 4.18Å; I57-L138 HydrophobicContact CD1-CG 3.73Å; I57-L138 HydrophobicContact CG1-CD2 3.78Å; I57-L138 HydrophobicContact CG1-CG 3.92Å; F66-L138 HydrophobicContact CD1-CD2 4.41Å; L134-L138 PolarHBondContact O-N 2.78Å; L134-L138 VanDerWaalsContact O-N 3.15Å; V135-L138 WeakPolarHBondContact O-CB 3.46Å; V135-L138 PolarHBondContact O-N 2.86Å; V135-L138 VanDerWaalsContact O-N 3.08Å; A136-L138 VanDerWaalsContact C-N 3.34Å; A136-L138 PolarHBondContact O-N 3.17Å; L138-Y141 PolarHBondContact O-N 3.25Å; L138-A142 WeakPolarHBondContact O-CB 3.42Å; L138-A142 PolarHBondContact O-N 3.41Å |
| 139 | F | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.2 | -42.5 | 174.3 | -71.9 | -17.4 | 0 | 0 | 0 | 112.9 | I23 L25 V135 A136 Y141 A142 H143 L159 L173 V176 S177 A180 L182 | I23-F139 HydrophobicContact CD1-CB 4.46Å; I23-F139 HydrophobicContact CD1-CD1 3.69Å; I23-F139 HydrophobicContact CD1-CE1 4.17Å; I23-F139 HydrophobicContact CD1-CG 4.26Å; I23-F139 HydrophobicContact CG2-CD1 4.2Å; I23-F139 HydrophobicContact CG2-CE1 4.06Å; L25-F139 HydrophobicContact CB-CE1 4.45Å; L25-F139 HydrophobicContact CD1-CE1 4.16Å; L25-F139 HydrophobicContact CD2-CE1 3.78Å; L25-F139 HydrophobicContact CD2-CZ 3.92Å; L25-F139 HydrophobicContact CG-CE1 4.34Å; V135-F139 HydrophobicContact CG1-CD2 4.48Å; V135-F139 HydrophobicContact CG1-CE1 4.47Å; V135-F139 HydrophobicContact CG1-CE2 4.13Å; V135-F139 HydrophobicContact CG1-CZ 4.15Å; V135-F139 PolarHBondContact O-N 3.35Å; A136-F139 PolarHBondContact O-N 3.38Å; F139-Y141 VanDerWaalsContact C-N 3.32Å; F139-Y141 PolarHBondContact O-N 3.44Å; F139-A142 WeakPolarHBondContact O-CB 3.42Å; F139-A142 PolarHBondContact O-N 3.05Å; F139-H143 WeakPolarHBondContact O-CB 3.24Å; F139-H143 PolarHBondContact O-N 2.97Å; F139-L159 HydrophobicContact CE1-CD2 4.17Å; F139-L159 HydrophobicContact CE2-CD1 4.32Å; F139-L159 HydrophobicContact CZ-CD1 4Å; F139-L159 HydrophobicContact CZ-CD2 4.07Å; F139-L173 HydrophobicContact CE2-CD1 4.13Å; F139-L173 HydrophobicContact CZ-CD1 3.73Å; F139-L173 HydrophobicContact CZ-CG 4.24Å; F139-V176 HydrophobicContact CD2-CG1 4Å; F139-V176 HydrophobicContact CE2-CG1 3.92Å; F139-S177 VanDerWaalsContact CE2-OG 3.27Å; F139-S177 WeakPolarHBondContact CE2-OG 3.08Å; F139-A180 HydrophobicContact CB-CB 3.62Å; F139-A180 HydrophobicContact CD2-CB 4.4Å; F139-L182 HydrophobicContact CB-CD1 4.01Å |
| 140 | E | 97 | Very high | 96.8 | Very high | 4 Ų | 4 | 22 Ų | 22 | 2% | 0.019 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.6 | -44.5 | 173.2 | -177.9 | -177.9 | -157.2 | 0 | 0 | 110.7 | R64 A136 H143 N144 R661 | R64-E140 IonicContact CZ-OE2 3.66Å; R64-E140 IonicContact NH1-OE2 3.65Å; R64-E140 PolarHBondContact NH1-OE2 3.42Å; R64-E140 IonicContact NH2-OE2 3.23Å; R64-E140 PolarHBondContact NH2-OE2 2.98Å; A136-E140 WeakPolarHBondContact O-CB 3.49Å; A136-E140 PolarHBondContact O-N 3.49Å; E140-H143 PolarHBondContact O-N 3.24Å; E140-N144 VanDerWaalsContact O-CB 3.31Å; E140-N144 WeakPolarHBondContact O-CB 3.47Å; E140-N144 PolarHBondContact O-N 3.4Å; E140-N144 PolarHBondContact O-ND2 3.19Å; E140-N144 VanDerWaalsContact O-ND2 3.14Å; E140-R661 IonicContact OE1-CZ 3.59Å; E140-R661 VanDerWaalsContact OE1-CZ 3.31Å; E140-R661 IonicContact OE1-NE 3.64Å; E140-R661 PolarHBondContact OE1-NE 3.25Å; E140-R661 IonicContact OE1-NH2 2.73Å; E140-R661 PolarHBondContact OE1-NH2 2.81Å |
| 141 | Y | 97.3 | Very high | 96.5 | Very high | 44 Ų | 44 | 25.5 Ų | 25.5 | 17% | 0.173 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.8 | -46.7 | 175.6 | -178 | -103.2 | 0 | 0 | 0 | 111.8 | M30 T53 F66 M137 L138 F139 H143 N144 Y145 | M30-Y141 HydrophobicContact CE-CD1 4.3Å; T53-Y141 HydrophobicContact CG2-CD1 4.18Å; T53-Y141 HydrophobicContact CG2-CE1 3.62Å; F66-Y141 HydrophobicContact CB-CD1 3.96Å; F66-Y141 HydrophobicContact CB-CD2 3.75Å; F66-Y141 HydrophobicContact CB-CE1 3.96Å; F66-Y141 HydrophobicContact CB-CE2 3.73Å; F66-Y141 HydrophobicContact CB-CG 3.85Å; F66-Y141 HydrophobicContact CD1-CD1 4.43Å; F66-Y141 HydrophobicContact CD1-CD2 4.24Å; F66-Y141 AromaticContact CD1-CG 3.9Å; F66-Y141 HydrophobicContact CD1-CG 3.9Å; F66-Y141 AromaticContact CD2-CD2 3.5Å; F66-Y141 HydrophobicContact CD2-CD2 3.5Å; F66-Y141 HydrophobicContact CD2-CE2 4Å; F66-Y141 HydrophobicContact CD2-CG 4.03Å; F66-Y141 HydrophobicContact CE1-CG 4.45Å; F66-Y141 HydrophobicContact CE2-CD2 4.12Å; F66-Y141 HydrophobicContact CG-CD1 4.22Å; F66-Y141 AromaticContact CG-CD2 3.56Å; F66-Y141 HydrophobicContact CG-CD2 3.56Å; F66-Y141 HydrophobicContact CG-CE2 4.04Å; F66-Y141 AromaticContact CG-CG 3.65Å; F66-Y141 HydrophobicContact CG-CG 3.65Å; M137-Y141 WeakPolarHBondContact O-CB 3.5Å; M137-Y141 PolarHBondContact O-N 3.11Å; L138-Y141 PolarHBondContact O-N 3.25Å; F139-Y141 VanDerWaalsContact C-N 3.32Å; F139-Y141 PolarHBondContact O-N 3.44Å; Y141-H143 PolarHBondContact O-N 3.01Å; Y141-N144 PolarHBondContact O-N 3.27Å; Y141-Y145 AromaticContact CD1-CD1 3.9Å; Y141-Y145 HydrophobicContact CD1-CD1 3.9Å; Y141-Y145 AromaticContact CD1-CE1 3.78Å; Y141-Y145 HydrophobicContact CD1-CE1 3.78Å; Y141-Y145 AromaticContact CE1-CD1 3.73Å; Y141-Y145 HydrophobicContact CE1-CD1 3.73Å; Y141-Y145 AromaticContact CE1-CE1 3.7Å; Y141-Y145 HydrophobicContact CE1-CE1 3.7Å; Y141-Y145 HydrophobicContact CG-CD1 4.47Å; Y141-Y145 WeakPolarHBondContact O-CD1 3.45Å; Y141-Y145 PolarHBondContact O-N 2.92Å |
| 142 | A | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -55.7 | -49.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | M21 I23 M30 V32 L138 F139 Y145 A146 | M21-A142 HydrophobicContact CE-CB 4.36Å; I23-A142 HydrophobicContact CD1-CB 3.86Å; I23-A142 HydrophobicContact CG1-CB 4.25Å; I23-A142 HydrophobicContact CG2-CB 4.45Å; M30-A142 HydrophobicContact CE-CB 3.66Å; M30-A142 HydrophobicContact SD-CB 3.78Å; V32-A142 HydrophobicContact CG2-CB 3.7Å; L138-A142 WeakPolarHBondContact O-CB 3.42Å; L138-A142 PolarHBondContact O-N 3.41Å; F139-A142 WeakPolarHBondContact O-CB 3.42Å; F139-A142 PolarHBondContact O-N 3.05Å; A142-Y145 VanDerWaalsContact CA-CE1 3.43Å; A142-Y145 HydrophobicContact CB-CE1 4.42Å; A142-A146 VanDerWaalsContact O-CB 3.32Å; A142-A146 WeakPolarHBondContact O-CB 3.16Å; A142-A146 PolarHBondContact O-N 3.45Å; A142-A146 VanDerWaalsContact O-N 3.1Å |
| 143 | H | 97.3 | Very high | 95.9 | Very high | 27 Ų | 27 | 31.1 Ų | 31.1 | 13% | 0.125 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.3 | -48.8 | 179.6 | 173.7 | -124.8 | 0 | 0 | 0 | 111.6 | M21 F139 E140 Y141 Y145 A146 E147 I154 L182 | M21-H143 HydrophobicContact SD-CB 4.42Å; F139-H143 WeakPolarHBondContact O-CB 3.24Å; F139-H143 PolarHBondContact O-N 2.97Å; E140-H143 PolarHBondContact O-N 3.24Å; Y141-H143 PolarHBondContact O-N 3.01Å; H143-Y145 PolarHBondContact O-N 3.2Å; H143-A146 WeakPolarHBondContact O-CA 3.28Å; H143-A146 WeakPolarHBondContact O-CB 3.47Å; H143-A146 PolarHBondContact O-N 2.97Å; H143-E147 IonicContact CD2-OE1 3.66Å; H143-E147 IonicContact CE1-OE1 2.87Å; H143-E147 PolarHBondContact CE1-OE1 3.18Å; H143-E147 IonicContact CE1-OE2 2.68Å; H143-E147 IonicContact NE2-OE1 3.8Å; H143-E147 PolarHBondContact NE2-OE1 3.16Å; H143-E147 IonicContact NE2-OE2 3.48Å; H143-E147 PolarHBondContact O-N 2.63Å; H143-I154 PolarHBondContact CD2-O 3.49Å; H143-I154 PolarHBondContact NE2-O 2.9Å; H143-L182 HydrophobicContact CB-CD1 4.43Å; H143-L182 HydrophobicContact CB-CD2 4.13Å |
| 144 | N | 95.3 | Very high | 95.7 | Very high | 79 Ų | 79 | 31 Ų | 31 | 42% | 0.422 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -57.2 | -47.4 | -179 | -74.8 | -25.3 | 0 | 0 | 0 | 112.8 | E140 Y141 A146 L148 | E140-N144 VanDerWaalsContact O-CB 3.31Å; E140-N144 WeakPolarHBondContact O-CB 3.47Å; E140-N144 PolarHBondContact O-N 3.4Å; E140-N144 PolarHBondContact O-ND2 3.19Å; E140-N144 VanDerWaalsContact O-ND2 3.14Å; Y141-N144 PolarHBondContact O-N 3.27Å; N144-A146 VanDerWaalsContact C-N 3.33Å; N144-L148 WeakPolarHBondContact O-CB 3.37Å; N144-L148 PolarHBondContact O-N 2.94Å |
| 145 | Y | 95.6 | Very high | 95.4 | Very high | 8 Ų | 8 | 36.1 Ų | 36.1 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -76.1 | -23.4 | 178.5 | 75.1 | -111.3 | 0 | 0 | 0 | 112.6 | M30 V32 A44 Y141 A142 H143 Y149 | M30-Y145 HydrophobicContact CE-CE1 4.4Å; V32-Y145 HydrophobicContact CB-CE2 3.73Å; V32-Y145 WeakPolarHBondContact CB-OH 3.34Å; V32-Y145 HydrophobicContact CG1-CE2 4.22Å; V32-Y145 HydrophobicContact CG2-CE2 3.92Å; V32-Y145 WeakPolarHBondContact CG2-OH 3.49Å; A44-Y145 HydrophobicContact CB-CD2 4.36Å; A44-Y145 HydrophobicContact CB-CE2 4.21Å; Y141-Y145 AromaticContact CD1-CD1 3.9Å; Y141-Y145 HydrophobicContact CD1-CD1 3.9Å; Y141-Y145 AromaticContact CD1-CE1 3.78Å; Y141-Y145 HydrophobicContact CD1-CE1 3.78Å; Y141-Y145 AromaticContact CE1-CD1 3.73Å; Y141-Y145 HydrophobicContact CE1-CD1 3.73Å; Y141-Y145 AromaticContact CE1-CE1 3.7Å; Y141-Y145 HydrophobicContact CE1-CE1 3.7Å; Y141-Y145 HydrophobicContact CG-CD1 4.47Å; Y141-Y145 WeakPolarHBondContact O-CD1 3.45Å; Y141-Y145 PolarHBondContact O-N 2.92Å; A142-Y145 VanDerWaalsContact CA-CE1 3.43Å; A142-Y145 HydrophobicContact CB-CE1 4.42Å; H143-Y145 PolarHBondContact O-N 3.2Å; Y145-Y149 WeakPolarHBondContact O-CB 3.4Å; Y145-Y149 PolarHBondContact O-N 2.65Å |
| 146 | A | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.1 | -46.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | M21 V32 V34 A142 H143 N144 Y149 A150 I154 | M21-A146 HydrophobicContact CE-CB 3.78Å; M21-A146 HydrophobicContact SD-CB 4.07Å; V32-A146 HydrophobicContact CG1-CB 3.79Å; V34-A146 HydrophobicContact CG1-CB 4.05Å; A142-A146 VanDerWaalsContact O-CB 3.32Å; A142-A146 WeakPolarHBondContact O-CB 3.16Å; A142-A146 PolarHBondContact O-N 3.45Å; A142-A146 VanDerWaalsContact O-N 3.1Å; H143-A146 WeakPolarHBondContact O-CA 3.28Å; H143-A146 WeakPolarHBondContact O-CB 3.47Å; H143-A146 PolarHBondContact O-N 2.97Å; N144-A146 VanDerWaalsContact C-N 3.33Å; A146-Y149 PolarHBondContact O-N 2.9Å; A146-A150 WeakPolarHBondContact O-CB 3.44Å; A146-A150 PolarHBondContact O-N 3.34Å; A146-I154 HydrophobicContact CB-CD1 3.96Å |
| 147 | E | 95.2 | Very high | 95.2 | Very high | 49 Ų | 49 | 37.3 Ų | 37.3 | 23% | 0.229 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.6 | -43.5 | 176.5 | -69.6 | -164.6 | 147.9 | 0 | 0 | 111.5 | H143 Y149 A150 G151 I153 I154 | H143-E147 IonicContact CD2-OE1 3.66Å; H143-E147 IonicContact CE1-OE1 2.87Å; H143-E147 PolarHBondContact CE1-OE1 3.18Å; H143-E147 IonicContact CE1-OE2 2.68Å; H143-E147 IonicContact NE2-OE1 3.8Å; H143-E147 PolarHBondContact NE2-OE1 3.16Å; H143-E147 IonicContact NE2-OE2 3.48Å; H143-E147 PolarHBondContact O-N 2.63Å; E147-Y149 VanDerWaalsContact C-N 3.31Å; E147-Y149 PolarHBondContact O-N 2.88Å; E147-A150 PolarHBondContact O-N 3Å; E147-G151 PolarHBondContact O-N 2.8Å; E147-I153 VanDerWaalsContact OE1-CA 3.26Å; E147-I153 WeakPolarHBondContact OE1-CA 3.49Å; E147-I154 HydrophobicContact CG-CB 4.09Å; E147-I154 HydrophobicContact CG-CD1 4.39Å; E147-I154 HydrophobicContact CG-CG1 4.11Å; E147-I154 PolarHBondContact OE1-N 3.34Å |
| 148 | L | 93.7 | Very high | 95.3 | Very high | 137 Ų | 137 | 37.3 Ų | 37.3 | 72% | 0.717 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -59.1 | -44.2 | 175.4 | -178.3 | 64.2 | 0 | 0 | 0 | 111.5 | N144 | N144-L148 WeakPolarHBondContact O-CB 3.37Å; N144-L148 PolarHBondContact O-N 2.94Å |
| 149 | Y | 93.4 | Very high | 95.3 | Very high | 84 Ų | 84 | 37.2 Ų | 37.2 | 33% | 0.329 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -66.6 | -42.2 | 177.4 | -178.6 | -90.6 | 0 | 0 | 0 | 112 | V34 E42 A44 V45 Y145 A146 E147 | V34-Y149 HydrophobicContact CG2-CD1 3.92Å; V34-Y149 HydrophobicContact CG2-CE1 3.97Å; E42-Y149 VanDerWaalsContact CD-OH 3.3Å; E42-Y149 HydrophobicContact CG-CE1 3.96Å; E42-Y149 WeakPolarHBondContact OE1-CE1 3.38Å; E42-Y149 PolarHBondContact OE1-OH 3.43Å; E42-Y149 PolarHBondContact OE2-OH 3.16Å; A44-Y149 HydrophobicContact CB-CD1 3.86Å; A44-Y149 HydrophobicContact CB-CE1 4.46Å; A44-Y149 HydrophobicContact CB-CG 3.94Å; V45-Y149 HydrophobicContact CB-CD2 4.09Å; V45-Y149 HydrophobicContact CB-CE2 4.06Å; V45-Y149 HydrophobicContact CG2-CD2 4.39Å; V45-Y149 HydrophobicContact CG2-CE2 3.86Å; Y145-Y149 WeakPolarHBondContact O-CB 3.4Å; Y145-Y149 PolarHBondContact O-N 2.65Å; A146-Y149 PolarHBondContact O-N 2.9Å; E147-Y149 VanDerWaalsContact C-N 3.31Å; E147-Y149 PolarHBondContact O-N 2.88Å |
| 150 | A | 93 | Very high | 95.3 | Very high | 15 Ų | 15 | 37.4 Ų | 37.4 | 12% | 0.124 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -73 | -28.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L36 A146 E147 S152 I154 | L36-A150 HydrophobicContact CD1-CB 4.05Å; L36-A150 HydrophobicContact CD2-CB 3.65Å; L36-A150 HydrophobicContact CG-CB 4.46Å; A146-A150 WeakPolarHBondContact O-CB 3.44Å; A146-A150 PolarHBondContact O-N 3.34Å; E147-A150 PolarHBondContact O-N 3Å; A150-S152 PolarHBondContact O-N 3.49Å; A150-I154 HydrophobicContact CB-CD1 4.06Å |
| 151 | G | 91.4 | Very high | 95.3 | Very high | 74 Ų | 74 | 37.3 Ų | 37.3 | 76% | 0.763 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | 23.4 | -167.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E147 | E147-G151 PolarHBondContact O-N 2.8Š|
| 152 | S | 91.1 | Very high | 95.2 | Very high | 25 Ų | 25 | 36.3 Ų | 36.3 | 18% | 0.175 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -145.3 | 152.2 | -178.5 | 69.9 | 0 | 0 | 0 | 0 | 111.2 | S19 A150 | S19-S152 WeakPolarHBondContact CB-OG 3.44Å; S19-S152 PolarHBondContact OG-OG 3.29Å; A150-S152 PolarHBondContact O-N 3.49Å |
| 153 | I | 91.8 | Very high | 94.9 | Very high | 101 Ų | 101 | 36.6 Ų | 36.6 | 52% | 0.518 | 20% | 0.204 | S | C | . | . | trans | -66.2 | 136.6 | 171.2 | -61 | 170.9 | 0 | 0 | 0 | 109.5 | E147 K155 | E147-I153 VanDerWaalsContact OE1-CA 3.26Å; E147-I153 WeakPolarHBondContact OE1-CA 3.49Å; I153-K155 HydrophobicContact CG2-CG 4.18Å | ||
| 154 | I | 93.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | trans | -125.7 | 117.2 | 178.5 | -58 | 176.6 | 0 | 0 | 0 | 107.7 | M21 V34 H143 A146 E147 A150 | M21-I154 HydrophobicContact CB-CD1 4.45Å; M21-I154 HydrophobicContact CB-CG2 3.98Å; M21-I154 HydrophobicContact CG-CG2 3.77Å; M21-I154 HydrophobicContact SD-CG2 3.97Å; V34-I154 HydrophobicContact CG1-CD1 3.94Å; H143-I154 PolarHBondContact CD2-O 3.49Å; H143-I154 PolarHBondContact NE2-O 2.9Å; A146-I154 HydrophobicContact CB-CD1 3.96Å; E147-I154 HydrophobicContact CG-CB 4.09Å; E147-I154 HydrophobicContact CG-CD1 4.39Å; E147-I154 HydrophobicContact CG-CG1 4.11Å; E147-I154 PolarHBondContact OE1-N 3.34Å; A150-I154 HydrophobicContact CB-CD1 4.06Å | ||
| 155 | K | 91.9 | Very high | 94.5 | Very high | 108 Ų | 108 | 33.7 Ų | 33.7 | 47% | 0.47 | 19% | 0.188 | S | C | . | . | trans | -104.3 | -23.4 | -179.7 | -65.9 | 174.7 | -175.4 | 162.1 | 0 | 113.3 | E16 I153 N183 | E16-K155 IonicContact OE1-NZ 3.47Å; E16-K155 PolarHBondContact OE1-NZ 3.3Å; E16-K155 IonicContact OE2-NZ 3.98Å; E16-K155 PolarHBondContact OE2-NZ 3.35Å; I153-K155 HydrophobicContact CG2-CG 4.18Å; K155-N183 WeakPolarHBondContact O-CB 3.16Å; K155-N183 PolarHBondContact O-N 2.93Å | ||
| 156 | T | 95.3 | Very high | 94.3 | Very high | 26 Ų | 26 | 33.6 Ų | 33.6 | 16% | 0.16 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 144.8 | -171.8 | 53.3 | 0 | 0 | 0 | 0 | 112.2 | S20 M21 N183 L185 | S20-T156 WeakPolarHBondContact CB-OG1 3.16Å; S20-T156 PolarHBondContact OG-O 3.32Å; S20-T156 PolarHBondContact OG-OG1 2.99Å; M21-T156 PolarHBondContact N-O 3.43Å; M21-T156 VanDerWaalsContact N-O 3.12Å; T156-N183 CarbonylContact C-O 3.59Å; T156-N183 VanDerWaalsContact CA-O 3.29Å; T156-N183 WeakPolarHBondContact CA-O 3.29Å; T156-N183 HydrophobicContact CG2-CB 4.25Å; T156-L185 HydrophobicContact CG2-CD1 4.38Å; T156-L185 HydrophobicContact CG2-CD2 3.99Å; T156-L185 HydrophobicContact CG2-CG 4.2Å |
| 157 | C | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 159.6 | 176.7 | 69.1 | 0 | 0 | 0 | 0 | 113.6 | M21 N183 V184 L185 | M21-C157 HydrophobicContact CG-CB 3.62Å; M21-C157 CarbonylContact O-C 3.58Å; M21-C157 WeakPolarHBondContact O-CA 3.32Å; C157-N183 PolarHBondContact N-O 3.44Å; C157-V184 WeakPolarHBondContact O-CA 3.11Å; C157-L185 PolarHBondContact O-N 2.8Å |
| 158 | V | 98.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 135.1 | 161.8 | 170.8 | 0 | 0 | 0 | 0 | 108.7 | M21 S22 I23 L185 Q186 I188 A404 Q407 A408 | M21-V158 PolarHBondContact O-N 3.02Å; S22-V158 CarbonylContact C-O 3.58Å; S22-V158 WeakPolarHBondContact CA-O 3.36Å; S22-V158 WeakPolarHBondContact CB-O 3.48Å; I23-V158 PolarHBondContact N-O 3.46Å; V158-L185 HydrophobicContact CG2-CB 4.11Å; V158-Q186 VanDerWaalsContact CA-O 3.31Å; V158-Q186 WeakPolarHBondContact CA-O 3.44Å; V158-Q186 HydrophobicContact CG1-CB 4.19Å; V158-Q186 WeakPolarHBondContact CG1-O 3.35Å; V158-Q186 HydrophobicContact CG2-CB 3.95Å; V158-I188 HydrophobicContact CG1-CG2 3.78Å; V158-A404 HydrophobicContact CB-CB 4.49Å; V158-A404 WeakPolarHBondContact CB-O 3.48Å; V158-A404 HydrophobicContact CG1-CB 3.86Å; V158-Q407 HydrophobicContact CG1-CB 4.34Å; V158-Q407 HydrophobicContact CG2-CB 4.33Å; V158-A408 HydrophobicContact CB-CB 4.16Å; V158-A408 VanDerWaalsContact CG2-CA 3.49Å; V158-A408 HydrophobicContact CG2-CB 3.63Å |
| 159 | L | 98.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 139.4 | -178.3 | -55 | 177.1 | 0 | 0 | 0 | 110.3 | I23 F139 L173 S177 V184 Q186 I187 I188 | I23-L159 HydrophobicContact CB-CD2 3.75Å; I23-L159 HydrophobicContact CD1-CD2 4.05Å; I23-L159 HydrophobicContact CG1-CD2 4.11Å; I23-L159 WeakPolarHBondContact O-CA 3.46Å; F139-L159 HydrophobicContact CE1-CD2 4.17Å; F139-L159 HydrophobicContact CE2-CD1 4.32Å; F139-L159 HydrophobicContact CZ-CD1 4Å; F139-L159 HydrophobicContact CZ-CD2 4.07Å; L159-L173 HydrophobicContact CB-CD2 4.11Å; L159-L173 HydrophobicContact CD1-CD2 3.76Å; L159-L173 HydrophobicContact CD1-CG 3.81Å; L159-S177 WeakPolarHBondContact CD1-OG 3.25Å; L159-V184 HydrophobicContact CD1-CG1 4.18Å; L159-V184 HydrophobicContact CD1-CG2 3.71Å; L159-V184 HydrophobicContact CG-CG1 4.26Å; L159-V184 HydrophobicContact CG-CG2 4.27Å; L159-Q186 PolarHBondContact N-O 2.87Å; L159-I187 HydrophobicContact CB-CG1 4.48Å; L159-I187 WeakPolarHBondContact O-CA 3.44Å; L159-I188 PolarHBondContact O-N 3.09Å |
| 160 | T | 98.2 | Very high | 94.2 | Very high | 4 Ų | 4 | 22.9 Ų | 22.9 | 3% | 0.025 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 147.9 | 165.5 | 72.8 | 0 | 0 | 0 | 0 | 110.5 | I23 D24 L25 I188 A193 A400 A404 | I23-T160 PolarHBondContact O-N 2.98Å; D24-T160 WeakPolarHBondContact CA-OG1 3.28Å; D24-T160 HydrophobicContact CB-CG2 4.04Å; D24-T160 PolarHBondContact OD1-OG1 3.12Å; L25-T160 PolarHBondContact N-OG1 2.89Å; T160-I188 CarbonylContact C-O 3.54Å; T160-I188 VanDerWaalsContact CA-O 3.23Å; T160-I188 WeakPolarHBondContact CA-O 3.27Å; T160-I188 HydrophobicContact CG2-CG2 4.36Å; T160-A193 HydrophobicContact CG2-CB 4.46Å; T160-A400 HydrophobicContact CG2-CB 4.26Å; T160-A404 HydrophobicContact CG2-CB 3.89Å |
| 161 | V | 96.7 | Very high | 94.3 | Very high | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.012 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 153.5 | 169 | -68 | 0 | 0 | 0 | 0 | 110.9 | S163 F165 L173 I187 I188 N189 D190 | V161-S163 PolarHBondContact O-N 2.89Å; V161-F165 HydrophobicContact CB-CB 4.41Å; V161-F165 HydrophobicContact CB-CD2 3.91Å; V161-F165 HydrophobicContact CB-CG 4.33Å; V161-F165 HydrophobicContact CG1-CD2 3.99Å; V161-F165 HydrophobicContact CG1-CE2 4.48Å; V161-L173 HydrophobicContact CG1-CD2 3.34Å; V161-I187 HydrophobicContact CB-CG2 4.09Å; V161-I187 HydrophobicContact CG1-CG2 3.58Å; V161-I187 HydrophobicContact CG2-CG2 3.36Å; V161-I188 PolarHBondContact N-O 3.37Å; V161-N189 CarbonylContact O-C 3.55Å; V161-N189 VanDerWaalsContact O-CA 3.28Å; V161-N189 WeakPolarHBondContact O-CA 3.12Å; V161-D190 PolarHBondContact O-N 3.48Å |
| 162 | P | 95.3 | Very high | 94.4 | Very high | 22 Ų | 22 | 19.9 Ų | 19.9 | 14% | 0.143 | 10% | 0.102 | C | C | . | . | trans | -58.1 | 138.6 | 168 | -22.6 | 33.9 | 0 | 0 | 0 | 111.3 | H164 F165 | P162-H164 WeakPolarHBondContact CB-CE1 3.3Å; P162-H164 PolarHBondContact O-N 2.64Å; P162-F165 HydrophobicContact CB-CD1 3.88Å; P162-F165 HydrophobicContact CB-CE1 4.05Å; P162-F165 HydrophobicContact CG-CD1 3.89Å; P162-F165 HydrophobicContact CG-CE1 3.6Å; P162-F165 HydrophobicContact CG-CZ 3.99Å; P162-F165 WeakPolarHBondContact O-CB 3.43Å; P162-F165 PolarHBondContact O-N 2.91Å | ||
| 163 | S | 93.1 | Very high | 94.7 | Very high | 6 Ų | 6 | 18.8 Ų | 18.8 | 4% | 0.042 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -21.5 | 178 | 56.6 | 0 | 0 | 0 | 0 | 115.1 | V161 F165 | V161-S163 PolarHBondContact O-N 2.89Å; S163-F165 VanDerWaalsContact C-N 3.33Å |
| 164 | H | 91.8 | Very high | 94.9 | Very high | 27 Ų | 27 | 16 Ų | 16 | 13% | 0.125 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 6.7 | 176.7 | 64.1 | -94.1 | 0 | 0 | 0 | 114.1 | P162 H254 L427 Y428 | P162-H164 WeakPolarHBondContact CB-CE1 3.3Å; P162-H164 PolarHBondContact O-N 2.64Å; H164-H254 VanDerWaalsContact CB-CD2 3.5Å; H164-H254 WeakPolarHBondContact CB-CD2 3.36Å; H164-L427 HydrophobicContact CB-CD2 4.2Å; H164-Y428 WeakPolarHBondContact CA-OH 3.45Å; H164-Y428 PolarHBondContact O-OH 3.22Å |
| 165 | F | 92.8 | Very high | 95 | Very high | 18 Ų | 18 | 17 Ų | 17 | 8% | 0.079 | 9% | 0.085 | C | C | . | . | trans | -75.1 | 129.4 | 171 | -84.7 | 24.3 | 0 | 0 | 0 | 110.8 | V161 P162 S163 E169 R170 | V161-F165 HydrophobicContact CB-CB 4.41Å; V161-F165 HydrophobicContact CB-CD2 3.91Å; V161-F165 HydrophobicContact CB-CG 4.33Å; V161-F165 HydrophobicContact CG1-CD2 3.99Å; V161-F165 HydrophobicContact CG1-CE2 4.48Å; P162-F165 HydrophobicContact CB-CD1 3.88Å; P162-F165 HydrophobicContact CB-CE1 4.05Å; P162-F165 HydrophobicContact CG-CD1 3.89Å; P162-F165 HydrophobicContact CG-CE1 3.6Å; P162-F165 HydrophobicContact CG-CZ 3.99Å; P162-F165 WeakPolarHBondContact O-CB 3.43Å; P162-F165 PolarHBondContact O-N 2.91Å; S163-F165 VanDerWaalsContact C-N 3.33Å; F165-E169 HydrophobicContact CB-CB 4.02Å; F165-E169 HydrophobicContact CD2-CB 3.49Å; F165-E169 VanDerWaalsContact CD2-CB 3.49Å; F165-E169 HydrophobicContact CD2-CG 4.16Å; F165-E169 HydrophobicContact CE2-CB 4.03Å; F165-E169 HydrophobicContact CE2-CG 4.43Å; F165-E169 HydrophobicContact CG-CB 3.82Å; F165-E169 HydrophobicContact CG-CG 4.23Å; F165-R170 PolarHBondContact O-NE 3.13Å; F165-R170 PolarHBondContact O-NH2 2.92Å | ||
| 166 | G | 91.5 | Very high | 95.3 | Very high | 6 Ų | 6 | 11.9 Ų | 11.9 | 6% | 0.062 | 6% | 0.062 | C | C | . | . | trans | -86.4 | -164.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | E169 R170 Y492 | G166-E169 WeakPolarHBondContact CA-OE2 3.44Å; G166-E169 PolarHBondContact N-OE2 3.41Å; G166-R170 WeakPolarHBondContact O-CD 2.99Å; G166-R170 WeakPolarHBondContact O-CG 3.49Å; G166-R170 PolarHBondContact O-N 3.41Å; G166-Y492 WeakPolarHBondContact CA-OH 3.49Å | ||
| 167 | Q | 93.8 | Very high | 95.4 | Very high | 9 Ų | 9 | 10.7 Ų | 10.7 | 4% | 0.042 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -65.4 | -48.1 | -178.1 | -66 | -60.1 | -49.9 | 0 | 0 | 111.3 | E169 R170 R171 Y492 L509 G542 I543 | Q167-E169 PolarHBondContact O-N 3.14Å; Q167-R170 PolarHBondContact O-N 3.03Å; Q167-R171 WeakPolarHBondContact O-CG 3.44Å; Q167-R171 PolarHBondContact O-N 2.89Å; Q167-Y492 WeakPolarHBondContact CG-OH 3.31Å; Q167-Y492 PolarHBondContact N-OH 3.27Å; Q167-L509 HydrophobicContact CB-CD2 3.88Å; Q167-L509 HydrophobicContact CG-CD1 4.06Å; Q167-L509 HydrophobicContact CG-CD2 3.87Å; Q167-G542 PolarHBondContact NE2-O 3.36Å; Q167-I543 VanDerWaalsContact OE1-CA 3.28Å |
| 168 | A | 92.5 | Very high | 95.3 | Very high | 6 Ų | 6 | 15 Ų | 15 | 5% | 0.05 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -54.4 | -51.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R170 R172 D641 F642 | A168-R170 PolarHBondContact O-N 3.09Å; A168-R172 VanDerWaalsContact O-CB 3.26Å; A168-R172 WeakPolarHBondContact O-CB 3.47Å; A168-R172 PolarHBondContact O-N 3.01Å; A168-D641 HydrophobicContact CB-CB 4.48Å; A168-D641 PolarHBondContact N-OD2 3.38Å; A168-F642 HydrophobicContact CB-CB 3.64Å; A168-F642 HydrophobicContact CB-CG 4.35Å |
| 169 | E | 94 | Very high | 95.3 | Very high | 21 Ų | 21 | 15.3 Ų | 15.3 | 10% | 0.098 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -64.9 | -39.8 | -179.1 | -66.2 | 95.5 | 157.3 | 0 | 0 | 113.2 | L89 K91 F165 G166 Q167 R172 L173 | L89-E169 VanDerWaalsContact O-CG 3.31Å; L89-E169 WeakPolarHBondContact O-CG 3.35Å; K91-E169 VanDerWaalsContact NZ-CG 3.27Å; K91-E169 IonicContact NZ-OE1 3.72Å; K91-E169 PolarHBondContact NZ-OE1 3.01Å; F165-E169 HydrophobicContact CB-CB 4.02Å; F165-E169 HydrophobicContact CD2-CB 3.49Å; F165-E169 VanDerWaalsContact CD2-CB 3.49Å; F165-E169 HydrophobicContact CD2-CG 4.16Å; F165-E169 HydrophobicContact CE2-CB 4.03Å; F165-E169 HydrophobicContact CE2-CG 4.43Å; F165-E169 HydrophobicContact CG-CB 3.82Å; F165-E169 HydrophobicContact CG-CG 4.23Å; G166-E169 WeakPolarHBondContact CA-OE2 3.44Å; G166-E169 PolarHBondContact N-OE2 3.41Å; Q167-E169 PolarHBondContact O-N 3.14Å; E169-R172 PolarHBondContact O-N 3.42Å; E169-L173 WeakPolarHBondContact O-CB 3.03Å; E169-L173 PolarHBondContact O-N 3.43Å |
| 170 | R | 95.6 | Very high | 95.2 | Very high | 10 Ų | 10 | 15.6 Ų | 15.6 | 4% | 0.038 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -66 | -49.3 | 179.8 | -70.3 | 169.6 | -173.5 | -83.8 | -11.5 | 111.3 | F165 G166 Q167 A168 R172 L173 I174 I187 N189 N541 I543 | F165-R170 PolarHBondContact O-NE 3.13Å; F165-R170 PolarHBondContact O-NH2 2.92Å; G166-R170 WeakPolarHBondContact O-CD 2.99Å; G166-R170 WeakPolarHBondContact O-CG 3.49Å; G166-R170 PolarHBondContact O-N 3.41Å; Q167-R170 PolarHBondContact O-N 3.03Å; A168-R170 PolarHBondContact O-N 3.09Å; R170-R172 VanDerWaalsContact C-N 3.26Å; R170-R172 PolarHBondContact O-N 3.49Å; R170-L173 PolarHBondContact O-N 3.17Å; R170-I174 PolarHBondContact O-N 3.29Å; R170-I187 HydrophobicContact CB-CD1 4.33Å; R170-I187 WeakPolarHBondContact O-CD1 3.33Å; R170-N189 PolarHBondContact NH1-OD1 3.09Å; R170-N189 PolarHBondContact NH2-OD1 3.25Å; R170-N541 WeakPolarHBondContact CD-O 3.38Å; R170-N541 PolarHBondContact NH1-O 3.17Å; R170-I543 HydrophobicContact CB-CD1 3.95Å; R170-I543 HydrophobicContact CB-CG1 3.8Å |
| 171 | R | 94.9 | Very high | 95 | Very high | 23 Ų | 23 | 18.2 Ų | 18.2 | 9% | 0.087 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.9 | -40.9 | 175.4 | -66.6 | -165.1 | -43.7 | -95.1 | -3 | 110.8 | Q167 L173 I174 Q175 I543 D641 F642 D644 | Q167-R171 WeakPolarHBondContact O-CG 3.44Å; Q167-R171 PolarHBondContact O-N 2.89Å; R171-L173 PolarHBondContact O-N 3.41Å; R171-I174 PolarHBondContact O-N 3.04Å; R171-Q175 PolarHBondContact O-N 3.21Å; R171-I543 HydrophobicContact CG-CD1 4.15Å; R171-I543 HydrophobicContact CG-CG2 4.16Å; R171-D641 IonicContact CZ-OD1 3.52Å; R171-D641 IonicContact CZ-OD2 3.57Å; R171-D641 IonicContact NH1-OD1 4Å; R171-D641 PolarHBondContact NH1-OD1 3.23Å; R171-D641 IonicContact NH1-OD2 2.74Å; R171-D641 PolarHBondContact NH1-OD2 2.87Å; R171-D641 IonicContact NH2-OD1 3.9Å; R171-D641 PolarHBondContact NH2-OD1 3.46Å; R171-D641 IonicContact NH2-OD2 2.88Å; R171-D641 PolarHBondContact NH2-OD2 3.16Å; R171-D641 VanDerWaalsContact NH2-OD2 3.16Å; R171-F642 PolarHBondContact NH2-O 3.39Å; R171-D644 IonicContact NE-OD1 3.92Å |
| 172 | R | 94.4 | Very high | 94.9 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.008 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.6 | -38.4 | 179.5 | -164.8 | 53.6 | 167.8 | -155.1 | 1.4 | 112.9 | L89 D132 A168 E169 R170 I174 Q175 V176 F642 P643 | L89-R172 HydrophobicContact CD1-CG 3.97Å; L89-R172 HydrophobicContact CD2-CB 4.33Å; L89-R172 HydrophobicContact CG-CB 4.18Å; L89-R172 HydrophobicContact CG-CG 3.94Å; D132-R172 IonicContact OD1-NE 3.84Å; D132-R172 PolarHBondContact OD1-NE 3.43Å; D132-R172 IonicContact OD2-CZ 3.91Å; D132-R172 IonicContact OD2-NE 2.65Å; D132-R172 PolarHBondContact OD2-NE 2.89Å; D132-R172 IonicContact OD2-NH2 2.68Å; D132-R172 PolarHBondContact OD2-NH2 2.91Å; A168-R172 VanDerWaalsContact O-CB 3.26Å; A168-R172 WeakPolarHBondContact O-CB 3.47Å; A168-R172 PolarHBondContact O-N 3.01Å; E169-R172 PolarHBondContact O-N 3.42Å; R170-R172 VanDerWaalsContact C-N 3.26Å; R170-R172 PolarHBondContact O-N 3.49Å; R172-I174 VanDerWaalsContact C-N 3.32Å; R172-I174 PolarHBondContact O-N 2.95Å; R172-Q175 VanDerWaalsContact CD-OE1 3.28Å; R172-Q175 WeakPolarHBondContact O-CB 3.31Å; R172-Q175 PolarHBondContact O-N 3.2Å; R172-V176 WeakPolarHBondContact O-CG2 3.43Å; R172-V176 PolarHBondContact O-N 3.25Å; R172-F642 HydrophobicContact CG-CE1 4.22Å; R172-P643 PolarHBondContact NH1-O 3.18Å |
| 173 | L | 96.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.4 | -39.1 | 178.6 | -164.7 | 71.9 | 0 | 0 | 0 | 112 | L25 L89 F139 L159 V161 E169 R170 R171 V176 S177 I187 | L25-L173 HydrophobicContact CD2-CD1 4.05Å; L89-L173 HydrophobicContact CD2-CB 3.76Å; L89-L173 HydrophobicContact CD2-CD1 3.52Å; L89-L173 HydrophobicContact CD2-CG 4.26Å; F139-L173 HydrophobicContact CE2-CD1 4.13Å; F139-L173 HydrophobicContact CZ-CD1 3.73Å; F139-L173 HydrophobicContact CZ-CG 4.24Å; L159-L173 HydrophobicContact CB-CD2 4.11Å; L159-L173 HydrophobicContact CD1-CD2 3.76Å; L159-L173 HydrophobicContact CD1-CG 3.81Å; V161-L173 HydrophobicContact CG1-CD2 3.34Å; E169-L173 WeakPolarHBondContact O-CB 3.03Å; E169-L173 PolarHBondContact O-N 3.43Å; R170-L173 PolarHBondContact O-N 3.17Å; R171-L173 PolarHBondContact O-N 3.41Å; L173-V176 PolarHBondContact O-N 2.79Å; L173-S177 PolarHBondContact O-N 3.49Å; L173-S177 PolarHBondContact O-OG 3.3Å; L173-I187 HydrophobicContact CB-CD1 4.27Å; L173-I187 HydrophobicContact CD2-CD1 4.26Å |
| 174 | I | 96.7 | Very high | 95.2 | Very high | 43 Ų | 43 | 22.9 Ų | 22.9 | 22% | 0.221 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.5 | -49.1 | 173.8 | -61.6 | 177.6 | 0 | 0 | 0 | 110.3 | R170 R171 R172 V176 S177 E178 I187 I543 | R170-I174 PolarHBondContact O-N 3.29Å; R171-I174 PolarHBondContact O-N 3.04Å; R172-I174 VanDerWaalsContact C-N 3.32Å; R172-I174 PolarHBondContact O-N 2.95Å; I174-V176 VanDerWaalsContact C-N 3.3Å; I174-V176 PolarHBondContact O-N 2.85Å; I174-S177 WeakPolarHBondContact O-CB 3.25Å; I174-S177 PolarHBondContact O-N 2.96Å; I174-S177 VanDerWaalsContact O-N 3.07Å; I174-E178 PolarHBondContact O-N 3.48Å; I174-E178 VanDerWaalsContact O-N 3.16Å; I174-I187 HydrophobicContact CD1-CD1 4.04Å; I174-I187 HydrophobicContact CG1-CD1 3.54Å; I174-I187 HydrophobicContact CG1-CG1 4.36Å; I174-I543 HydrophobicContact CD1-CD1 3.53Å |
| 175 | Q | 95.8 | Very high | 95.4 | Very high | 23 Ų | 23 | 23.8 Ų | 23.8 | 11% | 0.107 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.2 | -39 | 178.1 | -70.6 | 171 | -6.1 | 0 | 0 | 112.6 | R171 R172 S177 E178 I179 D644 L645 | R171-Q175 PolarHBondContact O-N 3.21Å; R172-Q175 VanDerWaalsContact CD-OE1 3.28Å; R172-Q175 WeakPolarHBondContact O-CB 3.31Å; R172-Q175 PolarHBondContact O-N 3.2Å; Q175-S177 VanDerWaalsContact C-N 3.31Å; Q175-S177 PolarHBondContact O-N 3.38Å; Q175-E178 WeakPolarHBondContact O-CB 3.25Å; Q175-E178 PolarHBondContact O-N 2.93Å; Q175-I179 PolarHBondContact O-N 3.47Å; Q175-D644 PolarHBondContact NE2-OD1 2.96Å; Q175-L645 HydrophobicContact CB-CD1 4.17Å |
| 176 | V | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.8 | -34.8 | 175.6 | 170.2 | 0 | 0 | 0 | 0 | 112.1 | L89 D132 V135 A136 F139 R172 L173 I174 E178 I179 A180 | L89-V176 HydrophobicContact CD1-CG2 3.78Å; D132-V176 HydrophobicContact CB-CG2 3.6Å; V135-V176 HydrophobicContact CB-CG1 3.79Å; V135-V176 HydrophobicContact CG1-CG1 3.68Å; A136-V176 HydrophobicContact CB-CG1 4.04Å; F139-V176 HydrophobicContact CD2-CG1 4Å; F139-V176 HydrophobicContact CE2-CG1 3.92Å; R172-V176 WeakPolarHBondContact O-CG2 3.43Å; R172-V176 PolarHBondContact O-N 3.25Å; L173-V176 PolarHBondContact O-N 2.79Å; I174-V176 VanDerWaalsContact C-N 3.3Å; I174-V176 PolarHBondContact O-N 2.85Å; V176-E178 VanDerWaalsContact C-N 3.3Å; V176-E178 PolarHBondContact O-N 2.64Å; V176-I179 WeakPolarHBondContact O-CB 3.33Å; V176-I179 PolarHBondContact O-N 3.28Å; V176-A180 PolarHBondContact O-N 2.69Å |
| 177 | S | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65 | -33.4 | 172.9 | -61.7 | 0 | 0 | 0 | 0 | 112.8 | F139 L159 L173 I174 Q175 I179 A180 G181 L182 V184 | F139-S177 VanDerWaalsContact CE2-OG 3.27Å; F139-S177 WeakPolarHBondContact CE2-OG 3.08Å; L159-S177 WeakPolarHBondContact CD1-OG 3.25Å; L173-S177 PolarHBondContact O-N 3.49Å; L173-S177 PolarHBondContact O-OG 3.3Å; I174-S177 WeakPolarHBondContact O-CB 3.25Å; I174-S177 PolarHBondContact O-N 2.96Å; I174-S177 VanDerWaalsContact O-N 3.07Å; Q175-S177 VanDerWaalsContact C-N 3.31Å; Q175-S177 PolarHBondContact O-N 3.38Å; S177-I179 VanDerWaalsContact C-N 3.34Å; S177-I179 PolarHBondContact O-N 3Å; S177-A180 CarbonylContact O-C 3.41Å; S177-A180 WeakPolarHBondContact O-CA 3.31Å; S177-A180 PolarHBondContact O-N 3.34Å; S177-A180 VanDerWaalsContact O-N 3.12Å; S177-G181 PolarHBondContact O-N 3.18Å; S177-G181 VanDerWaalsContact O-N 3.07Å; S177-L182 CarbonylContact C-O 3.52Å; S177-L182 PolarHBondContact O-N 3.45Å; S177-V184 WeakPolarHBondContact OG-CG2 3.35Å |
| 178 | E | 96.4 | Very high | 96.2 | Very high | 91 Ų | 91 | 23 Ų | 23 | 43% | 0.425 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -65.4 | -35.7 | 173.2 | -63 | 177.9 | -171.4 | 0 | 0 | 112.4 | I174 Q175 V176 A180 G181 L650 Q654 | I174-E178 PolarHBondContact O-N 3.48Å; I174-E178 VanDerWaalsContact O-N 3.16Å; Q175-E178 WeakPolarHBondContact O-CB 3.25Å; Q175-E178 PolarHBondContact O-N 2.93Å; V176-E178 VanDerWaalsContact C-N 3.3Å; V176-E178 PolarHBondContact O-N 2.64Å; E178-A180 PolarHBondContact O-N 3.27Å; E178-G181 PolarHBondContact O-N 2.99Å; E178-G181 VanDerWaalsContact O-N 3.14Å; E178-L650 HydrophobicContact CB-CD1 4.14Å; E178-Q654 PolarHBondContact O-NE2 2.84Å |
| 179 | I | 97.6 | Very high | 96.5 | Very high | 6 Ų | 6 | 22.9 Ų | 22.9 | 3% | 0.031 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.4 | -39 | 171.8 | -60.4 | 169.2 | 0 | 0 | 0 | 110.3 | D132 A136 Q175 V176 S177 G181 L645 L650 Q654 L657 | D132-I179 HydrophobicContact CB-CD1 4.06Å; A136-I179 HydrophobicContact CB-CB 3.79Å; A136-I179 HydrophobicContact CB-CG2 3.56Å; Q175-I179 PolarHBondContact O-N 3.47Å; V176-I179 WeakPolarHBondContact O-CB 3.33Å; V176-I179 PolarHBondContact O-N 3.28Å; S177-I179 VanDerWaalsContact C-N 3.34Å; S177-I179 PolarHBondContact O-N 3Å; I179-G181 VanDerWaalsContact C-N 3.29Å; I179-G181 PolarHBondContact O-N 3.13Å; I179-L645 HydrophobicContact CD1-CD1 3.91Å; I179-L645 HydrophobicContact CG1-CD1 4.38Å; I179-L650 HydrophobicContact CB-CD1 4.46Å; I179-L650 HydrophobicContact CG1-CD1 3.56Å; I179-Q654 HydrophobicContact CG2-CG 4.47Å; I179-L657 HydrophobicContact CG2-CD1 4.21Å; I179-L657 HydrophobicContact CG2-CD2 4.03Å |
| 180 | A | 96.3 | Very high | 96.6 | Very high | 7 Ų | 7 | 23 Ų | 23 | 6% | 0.058 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -2.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | A136 F139 V176 S177 E178 L182 | A136-A180 HydrophobicContact CB-CB 4.3Å; F139-A180 HydrophobicContact CB-CB 3.62Å; F139-A180 HydrophobicContact CD2-CB 4.4Å; V176-A180 PolarHBondContact O-N 2.69Å; S177-A180 CarbonylContact O-C 3.41Å; S177-A180 WeakPolarHBondContact O-CA 3.31Å; S177-A180 PolarHBondContact O-N 3.34Å; S177-A180 VanDerWaalsContact O-N 3.12Å; E178-A180 PolarHBondContact O-N 3.27Å; A180-L182 HydrophobicContact CB-CD1 4.44Å; A180-L182 HydrophobicContact CB-CG 4.48Å |
| 181 | G | 94.1 | Very high | 96.7 | Very high | 59 Ų | 59 | 22.9 Ų | 22.9 | 61% | 0.608 | 13% | 0.131 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | 21.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | S177 E178 I179 | S177-G181 PolarHBondContact O-N 3.18Å; S177-G181 VanDerWaalsContact O-N 3.07Å; E178-G181 PolarHBondContact O-N 2.99Å; E178-G181 VanDerWaalsContact O-N 3.14Å; I179-G181 VanDerWaalsContact C-N 3.29Å; I179-G181 PolarHBondContact O-N 3.13Å |
| 182 | L | 96 | Very high | 96.9 | Very high | 7 Ų | 7 | 21.8 Ų | 21.8 | 4% | 0.037 | 13% | 0.127 | C | C | . | . | trans | -103.7 | 134.8 | -179.3 | -68.4 | 174.5 | 0 | 0 | 0 | 111.7 | M21 I23 F139 H143 S177 A180 | M21-L182 HydrophobicContact SD-CD2 4.5Å; I23-L182 HydrophobicContact CD1-CD1 3.9Å; F139-L182 HydrophobicContact CB-CD1 4.01Å; H143-L182 HydrophobicContact CB-CD1 4.43Å; H143-L182 HydrophobicContact CB-CD2 4.13Å; S177-L182 CarbonylContact C-O 3.52Å; S177-L182 PolarHBondContact O-N 3.45Å; A180-L182 HydrophobicContact CB-CD1 4.44Å; A180-L182 HydrophobicContact CB-CG 4.48Å | ||
| 183 | N | 95.7 | Very high | 97.1 | Very high | 96 Ų | 96 | 21.7 Ų | 21.7 | 51% | 0.513 | 13% | 0.127 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 114.5 | 171.7 | -178.6 | 15 | 0 | 0 | 0 | 110.8 | K155 T156 C157 L185 | K155-N183 WeakPolarHBondContact O-CB 3.16Å; K155-N183 PolarHBondContact O-N 2.93Å; T156-N183 CarbonylContact C-O 3.59Å; T156-N183 VanDerWaalsContact CA-O 3.29Å; T156-N183 WeakPolarHBondContact CA-O 3.29Å; T156-N183 HydrophobicContact CG2-CB 4.25Å; C157-N183 PolarHBondContact N-O 3.44Å; N183-L185 PolarHBondContact O-N 3.31Å |
| 184 | V | 97.7 | Very high | 97.2 | Very high | 24 Ų | 24 | 22 Ų | 22 | 15% | 0.145 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 112.2 | -179.4 | -177.4 | 0 | 0 | 0 | 0 | 110.1 | C157 L159 S177 I187 | C157-V184 WeakPolarHBondContact O-CA 3.11Å; L159-V184 HydrophobicContact CD1-CG1 4.18Å; L159-V184 HydrophobicContact CD1-CG2 3.71Å; L159-V184 HydrophobicContact CG-CG1 4.26Å; L159-V184 HydrophobicContact CG-CG2 4.27Å; S177-V184 WeakPolarHBondContact OG-CG2 3.35Å; V184-I187 HydrophobicContact CG1-CG1 3.97Å |
| 185 | L | 96.9 | Very high | 97.3 | Very high | 47 Ų | 47 | 19.9 Ų | 19.9 | 25% | 0.246 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | -38 | 174.5 | -64.8 | 175.7 | 0 | 0 | 0 | 112 | T156 C157 V158 N183 H411 T412 | T156-L185 HydrophobicContact CG2-CD1 4.38Å; T156-L185 HydrophobicContact CG2-CD2 3.99Å; T156-L185 HydrophobicContact CG2-CG 4.2Å; C157-L185 PolarHBondContact O-N 2.8Å; V158-L185 HydrophobicContact CG2-CB 4.11Å; N183-L185 PolarHBondContact O-N 3.31Å; L185-H411 HydrophobicContact CB-CB 4.28Å; L185-H411 HydrophobicContact CD1-CB 4.38Å; L185-T412 VanDerWaalsContact CD1-OG1 3.24Å; L185-T412 WeakPolarHBondContact CD1-OG1 3.42Å |
| 186 | Q | 98 | Very high | 97.4 | Very high | 12 Ų | 12 | 18.8 Ų | 18.8 | 6% | 0.056 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 144.5 | 179.8 | -167.7 | -176.2 | 17.5 | 0 | 0 | 110.8 | V158 L159 Q407 H411 H540 N541 | V158-Q186 VanDerWaalsContact CA-O 3.31Å; V158-Q186 WeakPolarHBondContact CA-O 3.44Å; V158-Q186 HydrophobicContact CG1-CB 4.19Å; V158-Q186 WeakPolarHBondContact CG1-O 3.35Å; V158-Q186 HydrophobicContact CG2-CB 3.95Å; L159-Q186 PolarHBondContact N-O 2.87Å; Q186-Q407 VanDerWaalsContact OE1-CB 3.23Å; Q186-Q407 VanDerWaalsContact OE1-CG 3.29Å; Q186-H411 PolarHBondContact OE1-NE2 2.83Å; Q186-H540 HydrophobicContact CG-CB 4.33Å; Q186-H540 PolarHBondContact NE2-O 2.9Å; Q186-N541 VanDerWaalsContact CA-OD1 3.24Å; Q186-N541 WeakPolarHBondContact CA-OD1 3.39Å |
| 187 | I | 98.1 | Very high | 97.5 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 120.5 | 156.5 | -64.2 | 179.6 | 0 | 0 | 0 | 108.3 | L159 V161 R170 L173 I174 V184 N541 | L159-I187 HydrophobicContact CB-CG1 4.48Å; L159-I187 WeakPolarHBondContact O-CA 3.44Å; V161-I187 HydrophobicContact CB-CG2 4.09Å; V161-I187 HydrophobicContact CG1-CG2 3.58Å; V161-I187 HydrophobicContact CG2-CG2 3.36Å; R170-I187 HydrophobicContact CB-CD1 4.33Å; R170-I187 WeakPolarHBondContact O-CD1 3.33Å; L173-I187 HydrophobicContact CB-CD1 4.27Å; L173-I187 HydrophobicContact CD2-CD1 4.26Å; I174-I187 HydrophobicContact CD1-CD1 4.04Å; I174-I187 HydrophobicContact CG1-CD1 3.54Å; I174-I187 HydrophobicContact CG1-CG1 4.36Å; V184-I187 HydrophobicContact CG1-CG1 3.97Å; I187-N541 HydrophobicContact CB-CB 4.2Å; I187-N541 PolarHBondContact N-OD1 2.83Å; I187-N541 WeakPolarHBondContact O-CA 3.44Å |
| 188 | I | 98.3 | Very high | 97.5 | Very high | 3 Ų | 3 | 19.8 Ų | 19.8 | 2% | 0.015 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 145.7 | 176.3 | -173.3 | 164.8 | 0 | 0 | 0 | 110.1 | V158 L159 T160 V161 A193 L196 A404 Q407 | V158-I188 HydrophobicContact CG1-CG2 3.78Å; L159-I188 PolarHBondContact O-N 3.09Å; T160-I188 CarbonylContact C-O 3.54Å; T160-I188 VanDerWaalsContact CA-O 3.23Å; T160-I188 WeakPolarHBondContact CA-O 3.27Å; T160-I188 HydrophobicContact CG2-CG2 4.36Å; V161-I188 PolarHBondContact N-O 3.37Å; I188-A193 HydrophobicContact CD1-CB 4.1Å; I188-A193 HydrophobicContact CG1-CB 4.27Å; I188-A193 HydrophobicContact CG2-CB 4.06Å; I188-L196 HydrophobicContact CD1-CD2 4.34Å; I188-A404 HydrophobicContact CG2-CB 3.95Å; I188-Q407 HydrophobicContact CD1-CG 3.91Å |
| 189 | N | 98.2 | Very high | 97.6 | Very high | 4 Ų | 4 | 15.5 Ų | 15.5 | 2% | 0.021 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 141 | 172.2 | -59.4 | -31.3 | 0 | 0 | 0 | 110.6 | V161 R170 N191 S192 A193 D424 | V161-N189 CarbonylContact O-C 3.55Å; V161-N189 VanDerWaalsContact O-CA 3.28Å; V161-N189 WeakPolarHBondContact O-CA 3.12Å; R170-N189 PolarHBondContact NH1-OD1 3.09Å; R170-N189 PolarHBondContact NH2-OD1 3.25Å; N189-N191 WeakPolarHBondContact CB-OD1 3.39Å; N189-N191 PolarHBondContact O-N 3.26Å; N189-S192 PolarHBondContact O-N 2.92Å; N189-S192 VanDerWaalsContact O-N 3.13Å; N189-A193 PolarHBondContact O-N 3.11Å; N189-D424 PolarHBondContact ND2-OD1 3.24Å; N189-D424 PolarHBondContact ND2-OD2 2.88Å |
| 190 | D | 97.3 | Very high | 97.5 | Very high | 24 Ų | 24 | 16.7 Ų | 16.7 | 13% | 0.128 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -55 | -48.1 | 178.5 | 54.8 | 3.6 | 0 | 0 | 0 | 112.5 | V161 S192 A193 V194 | V161-D190 PolarHBondContact O-N 3.48Å; D190-S192 VanDerWaalsContact C-N 3.35Å; D190-S192 PolarHBondContact O-N 3.4Å; D190-A193 PolarHBondContact O-N 3.29Å; D190-V194 VanDerWaalsContact O-CG2 3.3Å; D190-V194 WeakPolarHBondContact O-CG2 3.42Å; D190-V194 PolarHBondContact O-N 3.3Å |
| 191 | N | 98 | Very high | 97.5 | Very high | 6 Ų | 6 | 22.4 Ų | 22.4 | 3% | 0.032 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.8 | -40.2 | 175.3 | 65.6 | -37.4 | 0 | 0 | 0 | 112.7 | N189 V194 A195 T224 T226 | N189-N191 WeakPolarHBondContact CB-OD1 3.39Å; N189-N191 PolarHBondContact O-N 3.26Å; N191-V194 PolarHBondContact O-N 2.72Å; N191-A195 WeakPolarHBondContact O-CB 3.37Å; N191-A195 PolarHBondContact O-N 2.69Å; N191-T224 HydrophobicContact CB-CG2 4.24Å; N191-T226 HydrophobicContact CB-CG2 4.45Å; N191-T226 WeakPolarHBondContact CB-OG1 3.35Å; N191-T226 PolarHBondContact ND2-OG1 2.95Å |
| 192 | S | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -68.9 | -38.3 | 176.4 | -61.5 | 0 | 0 | 0 | 0 | 112.1 | N189 D190 A195 L196 D424 | N189-S192 PolarHBondContact O-N 2.92Å; N189-S192 VanDerWaalsContact O-N 3.13Å; D190-S192 VanDerWaalsContact C-N 3.35Å; D190-S192 PolarHBondContact O-N 3.4Å; S192-A195 PolarHBondContact O-N 3.26Å; S192-L196 VanDerWaalsContact O-CB 3.28Å; S192-L196 WeakPolarHBondContact O-CB 3.41Å; S192-L196 PolarHBondContact O-N 3.29Å; S192-D424 WeakPolarHBondContact CB-OD2 3.47Å; S192-D424 PolarHBondContact OG-OD1 2.87Å; S192-D424 PolarHBondContact OG-OD2 3.47Å |
| 193 | A | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.5 | -41.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T160 I188 N189 D190 L196 N197 A400 G403 | T160-A193 HydrophobicContact CG2-CB 4.46Å; I188-A193 HydrophobicContact CD1-CB 4.1Å; I188-A193 HydrophobicContact CG1-CB 4.27Å; I188-A193 HydrophobicContact CG2-CB 4.06Å; N189-A193 PolarHBondContact O-N 3.11Å; D190-A193 PolarHBondContact O-N 3.29Å; A193-L196 PolarHBondContact O-N 2.91Å; A193-N197 PolarHBondContact O-N 3.03Å; A193-A400 HydrophobicContact CB-CB 4.47Å; A193-A400 WeakPolarHBondContact CB-O 3.43Å; A193-G403 WeakPolarHBondContact O-CA 3.38Å |
| 194 | V | 98.4 | Very high | 97.7 | Very high | 8 Ų | 8 | 28.5 Ų | 28.5 | 5% | 0.048 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.9 | -49.3 | 173 | 168.6 | 0 | 0 | 0 | 0 | 111.3 | D190 N191 L196 N197 F198 F215 M368 V394 A399 A400 | D190-V194 VanDerWaalsContact O-CG2 3.3Å; D190-V194 WeakPolarHBondContact O-CG2 3.42Å; D190-V194 PolarHBondContact O-N 3.3Å; N191-V194 PolarHBondContact O-N 2.72Å; V194-L196 VanDerWaalsContact C-N 3.33Å; V194-L196 PolarHBondContact O-N 3.44Å; V194-N197 PolarHBondContact O-N 3.41Å; V194-F198 PolarHBondContact O-N 2.91Å; V194-F215 HydrophobicContact CG1-CD1 3.71Å; V194-F215 HydrophobicContact CG1-CE1 4.05Å; V194-F215 HydrophobicContact CG1-CG 4.48Å; V194-M368 HydrophobicContact CB-CE 4.18Å; V194-M368 HydrophobicContact CG1-CE 3.41Å; V194-M368 VanDerWaalsContact CG1-CE 3.41Å; V194-M368 HydrophobicContact CG1-CG 4.01Å; V194-M368 HydrophobicContact CG1-SD 3.7Å; V194-M368 HydrophobicContact CG2-CE 3.61Å; V194-V394 HydrophobicContact CG1-CG1 4.44Å; V194-A399 HydrophobicContact CB-CB 4.46Å; V194-A399 HydrophobicContact CG1-CB 4.33Å; V194-A399 HydrophobicContact CG2-CB 4.13Å; V194-A400 HydrophobicContact CG2-CB 3.9Å |
| 195 | A | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60 | -44.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | N191 S192 N197 F198 G199 F215 A228 Y230 L247 I249 | N191-A195 WeakPolarHBondContact O-CB 3.37Å; N191-A195 PolarHBondContact O-N 2.69Å; S192-A195 PolarHBondContact O-N 3.26Å; A195-N197 PolarHBondContact O-N 3.26Å; A195-F198 WeakPolarHBondContact O-CB 3.25Å; A195-F198 PolarHBondContact O-N 3.07Å; A195-F198 VanDerWaalsContact O-N 3.14Å; A195-G199 PolarHBondContact O-N 3.38Å; A195-F215 HydrophobicContact CB-CD2 4.18Å; A195-F215 HydrophobicContact CB-CE2 3.8Å; A195-F215 HydrophobicContact CB-CZ 4.17Å; A195-A228 HydrophobicContact CB-CB 4.38Å; A195-Y230 WeakPolarHBondContact CA-OH 3.27Å; A195-Y230 WeakPolarHBondContact CB-OH 3.39Å; A195-Y230 PolarHBondContact O-OH 3.47Å; A195-L247 HydrophobicContact CB-CD1 4Å; A195-L247 HydrophobicContact CB-CD2 3.75Å; A195-I249 HydrophobicContact CB-CD1 4.31Å |
| 196 | L | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.3 | -48.2 | 176.2 | 178.2 | 56.6 | 0 | 0 | 0 | 111.8 | I188 S192 A193 V194 F198 G199 L200 L247 Y406 Q407 F420 V422 | I188-L196 HydrophobicContact CD1-CD2 4.34Å; S192-L196 VanDerWaalsContact O-CB 3.28Å; S192-L196 WeakPolarHBondContact O-CB 3.41Å; S192-L196 PolarHBondContact O-N 3.29Å; A193-L196 PolarHBondContact O-N 2.91Å; V194-L196 VanDerWaalsContact C-N 3.33Å; V194-L196 PolarHBondContact O-N 3.44Å; L196-F198 VanDerWaalsContact C-N 3.3Å; L196-F198 PolarHBondContact O-N 3.24Å; L196-G199 PolarHBondContact O-N 3.47Å; L196-L200 HydrophobicContact CD1-CD1 4.02Å; L196-L200 HydrophobicContact CD1-CG 3.99Å; L196-L200 HydrophobicContact CG-CD1 3.85Å; L196-L200 HydrophobicContact CG-CG 4.32Å; L196-L200 WeakPolarHBondContact O-CB 3.17Å; L196-L200 VanDerWaalsContact O-CG 3.25Å; L196-L200 WeakPolarHBondContact O-CG 3.2Å; L196-L200 PolarHBondContact O-N 3.41Å; L196-L247 HydrophobicContact CB-CD2 4.03Å; L196-Y406 HydrophobicContact CD1-CD1 4.37Å; L196-Y406 HydrophobicContact CD1-CE1 4.18Å; L196-Y406 HydrophobicContact CD2-CD1 3.74Å; L196-Y406 HydrophobicContact CD2-CE1 4.14Å; L196-Y406 HydrophobicContact CG-CD1 4.18Å; L196-Y406 HydrophobicContact CG-CE1 4.47Å; L196-Q407 HydrophobicContact CD2-CG 3.71Å; L196-F420 HydrophobicContact CD1-CB 4.3Å; L196-F420 HydrophobicContact CD1-CD1 3.7Å; L196-F420 HydrophobicContact CD1-CD2 4.32Å; L196-F420 HydrophobicContact CD1-CE1 4.09Å; L196-F420 HydrophobicContact CD1-CG 3.85Å; L196-V422 HydrophobicContact CD1-CG2 3.79Å; L196-V422 HydrophobicContact CD2-CG2 4.08Å; L196-V422 HydrophobicContact CG-CG2 4.43Å |
| 197 | N | 98.3 | Very high | 97.6 | Very high | 18 Ų | 18 | 32.8 Ų | 32.8 | 10% | 0.096 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.1 | -39.7 | 176.2 | -179.7 | 73 | 0 | 0 | 0 | 112.3 | A193 V194 A195 L201 A399 L402 | A193-N197 PolarHBondContact O-N 3.03Å; V194-N197 PolarHBondContact O-N 3.41Å; A195-N197 PolarHBondContact O-N 3.26Å; N197-L201 WeakPolarHBondContact O-CG 3.36Å; N197-L201 PolarHBondContact O-N 2.84Å; N197-A399 HydrophobicContact CB-CB 4.27Å; N197-A399 WeakPolarHBondContact CB-O 3.42Å; N197-L402 WeakPolarHBondContact OD1-CB 3.14Å |
| 198 | F | 98.2 | Very high | 97.6 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 1% | 0.013 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.7 | -47.3 | 174.2 | 174.6 | -94.7 | 0 | 0 | 0 | 112.1 | V194 A195 L196 R202 F206 Y213 F215 Y230 I366 V394 | V194-F198 PolarHBondContact O-N 2.91Å; A195-F198 WeakPolarHBondContact O-CB 3.25Å; A195-F198 PolarHBondContact O-N 3.07Å; A195-F198 VanDerWaalsContact O-N 3.14Å; L196-F198 VanDerWaalsContact C-N 3.3Å; L196-F198 PolarHBondContact O-N 3.24Å; F198-R202 PolarHBondContact O-NH1 3.36Å; F198-F206 HydrophobicContact CE1-CZ 4.22Å; F198-Y213 AromaticContact CE1-CD1 3.91Å; F198-Y213 HydrophobicContact CE1-CD1 3.91Å; F198-Y213 HydrophobicContact CE1-CD2 4.19Å; F198-Y213 AromaticContact CE1-CE1 3.93Å; F198-Y213 HydrophobicContact CE1-CE1 3.93Å; F198-Y213 HydrophobicContact CE1-CE2 4.18Å; F198-Y213 HydrophobicContact CE1-CG 4.05Å; F198-Y213 AromaticContact CZ-CD1 3.76Å; F198-Y213 HydrophobicContact CZ-CD1 3.76Å; F198-Y213 AromaticContact CZ-CE1 3.63Å; F198-Y213 HydrophobicContact CZ-CE1 3.63Å; F198-Y213 HydrophobicContact CZ-CG 4.37Å; F198-F215 HydrophobicContact CB-CE1 3.87Å; F198-F215 HydrophobicContact CB-CZ 3.72Å; F198-F215 AromaticContact CD1-CZ 3.83Å; F198-F215 HydrophobicContact CD1-CZ 3.83Å; F198-F215 HydrophobicContact CD2-CE1 4.42Å; F198-F215 HydrophobicContact CD2-CZ 4.43Å; F198-F215 HydrophobicContact CG-CE1 4.06Å; F198-F215 AromaticContact CG-CZ 3.74Å; F198-F215 HydrophobicContact CG-CZ 3.74Å; F198-Y230 HydrophobicContact CD1-CE1 4.4Å; F198-Y230 AromaticContact CD1-CE2 3.82Å; F198-Y230 HydrophobicContact CD1-CE2 3.82Å; F198-Y230 AromaticContact CD1-CZ 3.68Å; F198-Y230 HydrophobicContact CE1-CE2 4.03Å; F198-I366 HydrophobicContact CD2-CD1 3.78Å; F198-I366 HydrophobicContact CE1-CD1 4.28Å; F198-I366 HydrophobicContact CE2-CD1 3.47Å; F198-I366 VanDerWaalsContact CE2-CD1 3.47Å; F198-I366 HydrophobicContact CG-CD1 4.29Å; F198-I366 HydrophobicContact CZ-CD1 3.74Å; F198-V394 HydrophobicContact CB-CG2 3.92Å; F198-V394 HydrophobicContact CD2-CG2 3.49Å; F198-V394 VanDerWaalsContact CD2-CG2 3.49Å; F198-V394 HydrophobicContact CE2-CG2 4.47Å; F198-V394 HydrophobicContact CG-CG2 4.16Å |
| 199 | G | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.2 | -42.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A195 L196 L201 R202 F203 F420 | A195-G199 PolarHBondContact O-N 3.38Å; L196-G199 PolarHBondContact O-N 3.47Å; G199-L201 PolarHBondContact O-N 3.31Å; G199-R202 CarbonylContact O-C 3.47Å; G199-R202 PolarHBondContact O-N 3.15Å; G199-F203 WeakPolarHBondContact O-CA 3.28Å; G199-F203 WeakPolarHBondContact O-CB 3.48Å; G199-F203 PolarHBondContact O-N 3.45Å; G199-F420 VanDerWaalsContact C-CE2 3.47Å |
| 200 | L | 96.9 | Very high | 97.5 | Very high | 31 Ų | 31 | 45.1 Ų | 45.1 | 16% | 0.162 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.4 | -35.4 | 179.6 | -77.4 | 165.7 | 0 | 0 | 0 | 113.2 | L196 R202 F203 Y406 F420 | L196-L200 HydrophobicContact CD1-CD1 4.02Å; L196-L200 HydrophobicContact CD1-CG 3.99Å; L196-L200 HydrophobicContact CG-CD1 3.85Å; L196-L200 HydrophobicContact CG-CG 4.32Å; L196-L200 WeakPolarHBondContact O-CB 3.17Å; L196-L200 VanDerWaalsContact O-CG 3.25Å; L196-L200 WeakPolarHBondContact O-CG 3.2Å; L196-L200 PolarHBondContact O-N 3.41Å; L200-R202 VanDerWaalsContact C-N 3.27Å; L200-R202 PolarHBondContact O-N 3.01Å; L200-F203 VanDerWaalsContact O-CD1 3.28Å; L200-F203 WeakPolarHBondContact O-CD1 3.38Å; L200-Y406 HydrophobicContact CD1-CD1 3.65Å; L200-Y406 HydrophobicContact CD1-CD2 3.56Å; L200-Y406 HydrophobicContact CD1-CE1 4.1Å; L200-Y406 HydrophobicContact CD1-CE2 4.03Å; L200-Y406 HydrophobicContact CD1-CG 3.35Å; L200-Y406 HydrophobicContact CD2-CD1 4.36Å; L200-Y406 HydrophobicContact CD2-CD2 3.75Å; L200-Y406 HydrophobicContact CD2-CE1 4.01Å; L200-Y406 HydrophobicContact CD2-CE2 3.33Å; L200-Y406 HydrophobicContact CD2-CG 4.24Å; L200-Y406 VanDerWaalsContact CD2-CZ 3.48Å; L200-Y406 HydrophobicContact CG-CD2 4.32Å; L200-Y406 HydrophobicContact CG-CE2 4.33Å; L200-Y406 HydrophobicContact CG-CG 4.44Å; L200-F420 HydrophobicContact CD2-CB 4.27Å; L200-F420 HydrophobicContact CD2-CD2 3.54Å; L200-F420 HydrophobicContact CD2-CE2 4.23Å; L200-F420 HydrophobicContact CD2-CG 4.21Å; L200-F420 HydrophobicContact CG-CD2 4.03Å; L200-F420 HydrophobicContact CG-CE2 4.29Å |
| 201 | L | 95.8 | Very high | 97.6 | Very high | 127 Ų | 127 | 46 Ų | 46 | 67% | 0.665 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -8.9 | 179.3 | -63 | 174.5 | 0 | 0 | 0 | 113.1 | N197 G199 | N197-L201 WeakPolarHBondContact O-CG 3.36Å; N197-L201 PolarHBondContact O-N 2.84Å; G199-L201 PolarHBondContact O-N 3.31Å |
| 202 | R | 97.2 | Very high | 97.6 | Very high | 76 Ų | 76 | 47.7 Ų | 47.7 | 29% | 0.287 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -135.7 | -3.5 | -166.7 | -69 | 174.5 | -179.3 | 75.7 | 1.7 | 115 | F198 G199 L200 K204 S205 F206 G393 | F198-R202 PolarHBondContact O-NH1 3.36Å; G199-R202 CarbonylContact O-C 3.47Å; G199-R202 PolarHBondContact O-N 3.15Å; L200-R202 VanDerWaalsContact C-N 3.27Å; L200-R202 PolarHBondContact O-N 3.01Å; R202-K204 PolarHBondContact O-N 3.39Å; R202-S205 PolarHBondContact O-N 3.46Å; R202-S205 PolarHBondContact O-OG 2.96Å; R202-F206 HydrophobicContact CB-CE2 4.36Å; R202-F206 HydrophobicContact CB-CZ 4.08Å; R202-G393 PolarHBondContact NH2-O 3.43Å |
| 203 | F | 96.5 | Very high | 97.6 | Very high | 30 Ų | 30 | 48.9 Ų | 48.9 | 13% | 0.132 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -58.3 | -26.9 | -166.6 | 69.2 | -91.6 | 0 | 0 | 0 | 115.5 | G199 L200 S205 F206 Y232 P245 T418 F420 | G199-F203 WeakPolarHBondContact O-CA 3.28Å; G199-F203 WeakPolarHBondContact O-CB 3.48Å; G199-F203 PolarHBondContact O-N 3.45Å; L200-F203 VanDerWaalsContact O-CD1 3.28Å; L200-F203 WeakPolarHBondContact O-CD1 3.38Å; F203-S205 PolarHBondContact O-N 2.94Å; F203-F206 VanDerWaalsContact CA-CD2 3.5Å; F203-F206 HydrophobicContact CB-CD2 4.26Å; F203-F206 PolarHBondContact O-N 2.8Å; F203-F206 VanDerWaalsContact O-N 3.11Å; F203-Y232 AromaticContact CD2-CD2 3.79Å; F203-Y232 HydrophobicContact CD2-CD2 3.79Å; F203-Y232 AromaticContact CD2-CE2 3.72Å; F203-Y232 HydrophobicContact CD2-CE2 3.72Å; F203-Y232 HydrophobicContact CE2-CE2 4.02Å; F203-P245 HydrophobicContact CB-CB 3.66Å; F203-P245 HydrophobicContact CB-CG 4.22Å; F203-P245 HydrophobicContact CD2-CB 4.25Å; F203-P245 HydrophobicContact CD2-CG 4.13Å; F203-P245 HydrophobicContact CG-CB 4.1Å; F203-P245 HydrophobicContact CG-CG 4.13Å; F203-T418 HydrophobicContact CE2-CG2 4.45Å; F203-T418 HydrophobicContact CZ-CG2 4.12Å; F203-F420 HydrophobicContact CB-CE2 3.94Å |
| 204 | K | 96.2 | Very high | 97.6 | Very high | 184 Ų | 184 | 48.9 Ų | 48.9 | 80% | 0.8 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -66.4 | -16.2 | 176.1 | -62.2 | -178.1 | 180 | 177.7 | 0 | 114 | R202 | R202-K204 PolarHBondContact O-N 3.39Š|
| 205 | S | 96.5 | Very high | 97.6 | Very high | 87 Ų | 87 | 48.7 Ų | 48.7 | 61% | 0.608 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -90.4 | -8 | 173.6 | 66.1 | 0 | 0 | 0 | 0 | 113.4 | R202 F203 | R202-S205 PolarHBondContact O-N 3.46Å; R202-S205 PolarHBondContact O-OG 2.96Å; F203-S205 PolarHBondContact O-N 2.94Å |
| 206 | F | 97.3 | Very high | 97.6 | Very high | 11 Ų | 11 | 48.7 Ų | 48.7 | 5% | 0.048 | 25% | 0.245 | C | C | . | . | trans | -86.5 | 164.4 | 174.2 | -52.5 | -44 | 0 | 0 | 0 | 110.6 | F198 R202 F203 Q211 Y213 Y230 | F198-F206 HydrophobicContact CE1-CZ 4.22Å; R202-F206 HydrophobicContact CB-CE2 4.36Å; R202-F206 HydrophobicContact CB-CZ 4.08Å; F203-F206 VanDerWaalsContact CA-CD2 3.5Å; F203-F206 HydrophobicContact CB-CD2 4.26Å; F203-F206 PolarHBondContact O-N 2.8Å; F203-F206 VanDerWaalsContact O-N 3.11Å; F206-Q211 HydrophobicContact CD1-CB 4.29Å; F206-Q211 HydrophobicContact CD1-CG 4.17Å; F206-Y213 AromaticContact CE1-CE2 3.95Å; F206-Y213 HydrophobicContact CE1-CE2 3.95Å; F206-Y213 HydrophobicContact CZ-CE2 4.44Å; F206-Y230 VanDerWaalsContact CD2-CB 3.46Å; F206-Y230 HydrophobicContact CD2-CD1 4.33Å; F206-Y230 HydrophobicContact CD2-CG 4.1Å; F206-Y230 HydrophobicContact CE1-CD2 4.48Å; F206-Y230 HydrophobicContact CE1-CG 4.31Å; F206-Y230 VanDerWaalsContact CE2-CB 3.41Å; F206-Y230 AromaticContact CE2-CD1 3.64Å; F206-Y230 HydrophobicContact CE2-CD1 3.64Å; F206-Y230 HydrophobicContact CE2-CD2 4.31Å; F206-Y230 HydrophobicContact CE2-CE1 4.5Å; F206-Y230 AromaticContact CE2-CG 3.53Å; F206-Y230 HydrophobicContact CE2-CG 3.53Å; F206-Y230 HydrophobicContact CZ-CD1 4.1Å; F206-Y230 AromaticContact CZ-CD2 3.97Å; F206-Y230 HydrophobicContact CZ-CD2 3.97Å; F206-Y230 AromaticContact CZ-CG 3.65Å; F206-Y230 HydrophobicContact CZ-CG 3.65Å | ||
| 207 | N | 96.9 | Very high | 97.6 | Very high | 76 Ų | 76 | 50.3 Ų | 50.3 | 41% | 0.406 | 25% | 0.253 | S | S | . | . | trans | -140.4 | -170.7 | 177.4 | 58 | 57.5 | 0 | 0 | 0 | 109.1 | T209 S231 Y232 | N207-T209 PolarHBondContact O-N 3.38Å; N207-T209 WeakPolarHBondContact OD1-CA 3.44Å; N207-T209 VanDerWaalsContact OD1-CB 3.23Å; N207-T209 WeakPolarHBondContact OD1-CB 3.43Å; N207-T209 PolarHBondContact OD1-N 3.43Å; N207-T209 PolarHBondContact OD1-O 3.06Å; N207-S231 CarbonylContact O-C 3.58Å; N207-S231 VanDerWaalsContact O-CA 3.28Å; N207-S231 WeakPolarHBondContact O-CA 3.47Å; N207-Y232 CarbonylContact C-O 3.44Å; N207-Y232 PolarHBondContact O-N 2.82Å | ||
| 208 | E | 97.1 | Very high | 97.6 | Very high | 137 Ų | 137 | 49.4 Ų | 49.4 | 64% | 0.64 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -62 | -27.7 | -178.7 | -64.9 | -176.6 | 168.3 | 0 | 0 | 112.7 | P210 Y232 | E208-P210 WeakPolarHBondContact O-CD 3.35Å; E208-Y232 PolarHBondContact N-O 3.36Å |
| 209 | T | 97.6 | Very high | 97.5 | Very high | 92 Ų | 92 | 50.1 Ų | 50.1 | 56% | 0.564 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -77.7 | 119.2 | 175.8 | -55.5 | 0 | 0 | 0 | 0 | 110.6 | N207 Q211 | N207-T209 PolarHBondContact O-N 3.38Å; N207-T209 WeakPolarHBondContact OD1-CA 3.44Å; N207-T209 VanDerWaalsContact OD1-CB 3.23Å; N207-T209 WeakPolarHBondContact OD1-CB 3.43Å; N207-T209 PolarHBondContact OD1-N 3.43Å; N207-T209 PolarHBondContact OD1-O 3.06Å; T209-Q211 PolarHBondContact O-N 2.91Å; T209-Q211 PolarHBondContact O-NE2 3.19Å; T209-Q211 VanDerWaalsContact O-NE2 3.15Å |
| 210 | P | 98 | Very high | 97.4 | Very high | 37 Ų | 37 | 50.8 Ų | 50.8 | 24% | 0.24 | 26% | 0.261 | C | S | . | . | trans | -56.2 | 133.6 | -179.8 | -26.6 | 35.3 | 0 | 0 | 0 | 113.4 | E208 Y212 A229 Y230 | E208-P210 WeakPolarHBondContact O-CD 3.35Å; P210-Y212 HydrophobicContact CB-CE2 4.01Å; P210-Y212 WeakPolarHBondContact O-CE2 3.26Å; P210-A229 HydrophobicContact CB-CB 4.38Å; P210-Y230 CarbonylContact C-O 3.11Å; P210-Y230 WeakPolarHBondContact CA-O 3.29Å | ||
| 211 | Q | 98.5 | Very high | 97.4 | Very high | 43 Ų | 43 | 50 Ų | 50 | 20% | 0.201 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 130.3 | 172.3 | -55.8 | -59.4 | -49.1 | 0 | 0 | 109.6 | F206 T209 Y213 A229 Y230 Q363 | F206-Q211 HydrophobicContact CD1-CB 4.29Å; F206-Q211 HydrophobicContact CD1-CG 4.17Å; T209-Q211 PolarHBondContact O-N 2.91Å; T209-Q211 PolarHBondContact O-NE2 3.19Å; T209-Q211 VanDerWaalsContact O-NE2 3.15Å; Q211-Y213 HydrophobicContact CB-CE2 3.79Å; Q211-A229 CarbonylContact O-C 3.53Å; Q211-A229 WeakPolarHBondContact O-CA 2.96Å; Q211-Y230 PolarHBondContact N-O 3.39Å; Q211-Y230 PolarHBondContact O-N 3.39Å; Q211-Q363 VanDerWaalsContact OE1-NE2 3.12Å |
| 212 | Y | 98.6 | Very high | 97.4 | Very high | 42 Ų | 42 | 44.8 Ų | 44.8 | 17% | 0.165 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 129.9 | -170.5 | -59.7 | -86.3 | 0 | 0 | 0 | 113.4 | P210 A228 A229 V250 F357 Q363 | P210-Y212 HydrophobicContact CB-CE2 4.01Å; P210-Y212 WeakPolarHBondContact O-CE2 3.26Å; Y212-A228 CarbonylContact C-O 3.43Å; Y212-A228 VanDerWaalsContact CA-O 3.29Å; Y212-A228 WeakPolarHBondContact CA-O 3.2Å; Y212-A229 HydrophobicContact CD1-CB 3.83Å; Y212-A229 HydrophobicContact CE1-CB 3.67Å; Y212-V250 HydrophobicContact CD1-CG2 4.28Å; Y212-V250 HydrophobicContact CE1-CG2 4.11Å; Y212-F357 AromaticContact CD1-CE2 3.66Å; Y212-F357 HydrophobicContact CD1-CE2 3.66Å; Y212-F357 AromaticContact CD1-CZ 3.8Å; Y212-F357 HydrophobicContact CD1-CZ 3.8Å; Y212-F357 HydrophobicContact CD2-CE2 4.23Å; Y212-F357 AromaticContact CD2-CZ 3.85Å; Y212-F357 HydrophobicContact CD2-CZ 3.85Å; Y212-F357 AromaticContact CE1-CE2 3.86Å; Y212-F357 HydrophobicContact CE1-CE2 3.86Å; Y212-F357 HydrophobicContact CE1-CZ 4.37Å; Y212-F357 HydrophobicContact CE2-CE2 4.41Å; Y212-F357 HydrophobicContact CE2-CZ 4.42Å; Y212-F357 AromaticContact CG-CE2 3.85Å; Y212-F357 HydrophobicContact CG-CE2 3.85Å; Y212-F357 AromaticContact CG-CZ 3.51Å; Y212-F357 HydrophobicContact CG-CZ 3.51Å; Y212-Q363 VanDerWaalsContact CA-OE1 3.29Å; Y212-Q363 WeakPolarHBondContact O-CB 3.4Å; Y212-Q363 PolarHBondContact O-N 2.74Å; Y212-Q363 PolarHBondContact O-OE1 2.88Å |
| 213 | Y | 98.5 | Very high | 97.4 | Very high | 25 Ų | 25 | 41.2 Ų | 41.2 | 10% | 0.098 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 140.8 | 179.4 | -63.2 | -99.7 | 0 | 0 | 0 | 109.3 | F198 F206 Q211 A228 Y230 Q363 Q364 I366 | F198-Y213 AromaticContact CE1-CD1 3.91Å; F198-Y213 HydrophobicContact CE1-CD1 3.91Å; F198-Y213 HydrophobicContact CE1-CD2 4.19Å; F198-Y213 AromaticContact CE1-CE1 3.93Å; F198-Y213 HydrophobicContact CE1-CE1 3.93Å; F198-Y213 HydrophobicContact CE1-CE2 4.18Å; F198-Y213 HydrophobicContact CE1-CG 4.05Å; F198-Y213 AromaticContact CZ-CD1 3.76Å; F198-Y213 HydrophobicContact CZ-CD1 3.76Å; F198-Y213 AromaticContact CZ-CE1 3.63Å; F198-Y213 HydrophobicContact CZ-CE1 3.63Å; F198-Y213 HydrophobicContact CZ-CG 4.37Å; F206-Y213 AromaticContact CE1-CE2 3.95Å; F206-Y213 HydrophobicContact CE1-CE2 3.95Å; F206-Y213 HydrophobicContact CZ-CE2 4.44Å; Q211-Y213 HydrophobicContact CB-CE2 3.79Å; Y213-A228 PolarHBondContact N-O 2.91Å; Y213-A228 PolarHBondContact O-N 3.05Å; Y213-Y230 AromaticContact CD2-CD2 3.54Å; Y213-Y230 HydrophobicContact CD2-CD2 3.54Å; Y213-Y230 AromaticContact CD2-CE2 3.7Å; Y213-Y230 HydrophobicContact CD2-CE2 3.7Å; Y213-Y230 AromaticContact CE2-CD2 3.9Å; Y213-Y230 HydrophobicContact CE2-CD2 3.9Å; Y213-Y230 HydrophobicContact CE2-CE2 4.37Å; Y213-Y230 HydrophobicContact CG-CE2 4.26Å; Y213-Q363 HydrophobicContact CD1-CB 4.32Å; Y213-Q363 HydrophobicContact CE1-CB 3.89Å; Y213-Q363 HydrophobicContact CE2-CB 4.44Å; Y213-Q364 HydrophobicContact CD1-CB 3.92Å; Y213-Q364 HydrophobicContact CD1-CG 4.4Å; Y213-Q364 HydrophobicContact CE1-CB 4.19Å; Y213-Q364 HydrophobicContact CE1-CG 4.15Å; Y213-I366 HydrophobicContact CD1-CD1 3.99Å |
| 214 | V | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 127.1 | 168.8 | 167.6 | 0 | 0 | 0 | 0 | 108.8 | F216 T226 L227 F350 I353 M354 L362 Q364 V365 I366 | V214-F216 HydrophobicContact CG1-CB 4.45Å; V214-T226 CarbonylContact C-O 3.5Å; V214-T226 VanDerWaalsContact CA-O 3.24Å; V214-T226 WeakPolarHBondContact CA-O 3.28Å; V214-L227 HydrophobicContact CG2-CD1 3.95Å; V214-F350 HydrophobicContact CB-CE2 4.48Å; V214-F350 HydrophobicContact CG1-CD2 4.17Å; V214-F350 HydrophobicContact CG1-CE2 4.06Å; V214-F350 HydrophobicContact CG2-CE2 4.3Å; V214-I353 HydrophobicContact CB-CD1 4.46Å; V214-I353 HydrophobicContact CG1-CD1 3.85Å; V214-I353 HydrophobicContact CG2-CD1 3.79Å; V214-M354 HydrophobicContact CG2-SD 4.05Å; V214-L362 HydrophobicContact CB-CD1 4.18Å; V214-L362 HydrophobicContact CG2-CD1 3.65Å; V214-L362 HydrophobicContact CG2-CD2 4.03Å; V214-Q364 PolarHBondContact N-O 3.33Å; V214-V365 HydrophobicContact CB-CG1 4.49Å; V214-V365 HydrophobicContact CB-CG2 4.25Å; V214-V365 HydrophobicContact CG1-CG1 4.17Å; V214-V365 CarbonylContact O-C 3.59Å; V214-V365 WeakPolarHBondContact O-CA 3.48Å; V214-I366 PolarHBondContact O-N 3.41Å |
| 215 | F | 98.5 | Very high | 97.6 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.018 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 120.3 | 164.5 | -61.5 | -93.4 | 0 | 0 | 0 | 107.9 | V194 A195 F198 A225 T226 A228 Y230 I366 M368 V394 | V194-F215 HydrophobicContact CG1-CD1 3.71Å; V194-F215 HydrophobicContact CG1-CE1 4.05Å; V194-F215 HydrophobicContact CG1-CG 4.48Å; A195-F215 HydrophobicContact CB-CD2 4.18Å; A195-F215 HydrophobicContact CB-CE2 3.8Å; A195-F215 HydrophobicContact CB-CZ 4.17Å; F198-F215 HydrophobicContact CB-CE1 3.87Å; F198-F215 HydrophobicContact CB-CZ 3.72Å; F198-F215 AromaticContact CD1-CZ 3.83Å; F198-F215 HydrophobicContact CD1-CZ 3.83Å; F198-F215 HydrophobicContact CD2-CE1 4.42Å; F198-F215 HydrophobicContact CD2-CZ 4.43Å; F198-F215 HydrophobicContact CG-CE1 4.06Å; F198-F215 AromaticContact CG-CZ 3.74Å; F198-F215 HydrophobicContact CG-CZ 3.74Å; F215-A225 WeakPolarHBondContact O-CA 3.42Å; F215-T226 PolarHBondContact N-O 2.62Å; F215-T226 PolarHBondContact O-N 2.98Å; F215-A228 HydrophobicContact CD2-CB 4.19Å; F215-A228 HydrophobicContact CE2-CB 3.91Å; F215-Y230 HydrophobicContact CE2-CE2 4.37Å; F215-Y230 WeakPolarHBondContact CE2-OH 3.34Å; F215-Y230 WeakPolarHBondContact CZ-OH 3.36Å; F215-I366 WeakPolarHBondContact CA-O 3.27Å; F215-I366 HydrophobicContact CD1-CB 3.93Å; F215-I366 HydrophobicContact CD1-CD1 4.12Å; F215-I366 HydrophobicContact CD1-CG2 3.96Å; F215-I366 HydrophobicContact CE1-CB 4.14Å; F215-I366 HydrophobicContact CE1-CD1 3.49Å; F215-I366 VanDerWaalsContact CE1-CD1 3.49Å; F215-I366 HydrophobicContact CE1-CG1 4.42Å; F215-I366 HydrophobicContact CE1-CG2 4.08Å; F215-I366 HydrophobicContact CE2-CD1 4.49Å; F215-I366 HydrophobicContact CZ-CD1 3.7Å; F215-M368 HydrophobicContact CD1-CG 4.46Å; F215-V394 HydrophobicContact CE1-CG2 4.46Å |
| 216 | F | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 105.7 | 180 | -158.5 | -82.1 | 0 | 0 | 0 | 109.4 | V214 I218 T223 A225 V346 P349 F350 V365 I366 M368 T372 L381 | V214-F216 HydrophobicContact CG1-CB 4.45Å; F216-I218 HydrophobicContact CD1-CG1 4.13Å; F216-I218 HydrophobicContact CE1-CD1 3.92Å; F216-I218 HydrophobicContact CE1-CG1 3.78Å; F216-T223 HydrophobicContact CE1-CG2 3.73Å; F216-T223 HydrophobicContact CZ-CG2 3.73Å; F216-A225 HydrophobicContact CD2-CB 3.7Å; F216-A225 HydrophobicContact CE2-CB 3.76Å; F216-V346 HydrophobicContact CE1-CG1 4.24Å; F216-V346 HydrophobicContact CZ-CG1 4.15Å; F216-V346 WeakPolarHBondContact CZ-O 3.27Å; F216-P349 HydrophobicContact CE2-CB 4.17Å; F216-P349 HydrophobicContact CZ-CB 4.34Å; F216-F350 HydrophobicContact CD2-CB 4.33Å; F216-F350 HydrophobicContact CD2-CD2 4.26Å; F216-F350 HydrophobicContact CE2-CB 3.8Å; F216-V365 HydrophobicContact CB-CG1 4.33Å; F216-I366 PolarHBondContact N-O 3.48Å; F216-M368 PolarHBondContact O-N 3.46Å; F216-T372 HydrophobicContact CD1-CG2 4.44Å; F216-L381 HydrophobicContact CB-CD1 4.49Å; F216-L381 HydrophobicContact CD1-CD1 3.68Å; F216-L381 HydrophobicContact CD1-CD2 3.96Å; F216-L381 HydrophobicContact CD1-CG 4.45Å; F216-L381 HydrophobicContact CD2-CD2 3.82Å; F216-L381 HydrophobicContact CE1-CD1 4.1Å; F216-L381 HydrophobicContact CE1-CD2 3.93Å; F216-L381 HydrophobicContact CE2-CD2 3.79Å; F216-L381 HydrophobicContact CG-CD1 4.06Å; F216-L381 HydrophobicContact CG-CD2 3.9Å; F216-L381 HydrophobicContact CZ-CD2 3.85Å |
| 217 | D | 98.1 | Very high | 97.8 | Very high | 33 Ų | 33 | 26.6 Ų | 26.6 | 18% | 0.176 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 126.1 | -176.1 | -172 | 5.5 | 0 | 0 | 0 | 111.2 | G219 T223 T224 M368 G369 | D217-G219 PolarHBondContact OD1-N 3.16Å; D217-T223 CarbonylContact O-C 2.92Å; D217-T223 WeakPolarHBondContact O-CA 3.23Å; D217-T224 PolarHBondContact N-O 2.73Å; D217-T224 PolarHBondContact O-N 3.31Å; D217-M368 WeakPolarHBondContact CA-O 3.34Å; D217-M368 HydrophobicContact CB-CB 3.72Å; D217-M368 VanDerWaalsContact OD1-C 3.29Å; D217-G369 WeakPolarHBondContact OD1-CA 3.29Å; D217-G369 PolarHBondContact OD1-N 3.14Å; D217-G369 VanDerWaalsContact OD1-N 3.12Å |
| 218 | I | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 95 | 166 | -53.6 | -174.3 | 0 | 0 | 0 | 108.2 | F216 T223 F258 M368 G369 G370 G371 T372 I377 | F216-I218 HydrophobicContact CD1-CG1 4.13Å; F216-I218 HydrophobicContact CE1-CD1 3.92Å; F216-I218 HydrophobicContact CE1-CG1 3.78Å; I218-T223 HydrophobicContact CG1-CG2 3.98Å; I218-F258 HydrophobicContact CD1-CE1 4.4Å; I218-M368 PolarHBondContact N-O 2.89Å; I218-G369 CarbonylContact O-C 3.59Å; I218-G369 WeakPolarHBondContact O-CA 3.26Å; I218-G370 PolarHBondContact O-N 2.83Å; I218-G371 PolarHBondContact O-N 2.83Å; I218-T372 HydrophobicContact CB-CG2 4.23Å; I218-T372 HydrophobicContact CD1-CG2 4.33Å; I218-T372 HydrophobicContact CG1-CG2 3.96Å; I218-I377 HydrophobicContact CD1-CD1 3.57Å; I218-I377 HydrophobicContact CD1-CG2 3.54Å |
| 219 | G | 96.8 | Very high | 97.9 | Very high | 18 Ų | 18 | 16.9 Ų | 16.9 | 19% | 0.186 | 10% | 0.097 | C | C | . | . | trans | -78.6 | -163.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | D217 S222 G259 T260 | D217-G219 PolarHBondContact OD1-N 3.16Å; G219-S222 PolarHBondContact N-O 3Å; G219-G259 CarbonylContact O-C 3.45Å; G219-G259 WeakPolarHBondContact O-CA 3.48Å; G219-T260 PolarHBondContact O-N 3.27Å | ||
| 220 | S | 96.5 | Very high | 98 | Very high | 13 Ų | 13 | 12.5 Ų | 12.5 | 9% | 0.091 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -76.7 | -38.3 | -178.8 | 65.7 | 0 | 0 | 0 | 0 | 113.3 | T27 E28 G259 T260 Q261 | T27-S220 WeakPolarHBondContact CB-OG 3.35Å; E28-S220 WeakPolarHBondContact CB-OG 3.35Å; E28-S220 WeakPolarHBondContact OE2-CB 3.49Å; S220-G259 CarbonylContact O-C 3.56Å; S220-G259 WeakPolarHBondContact O-CA 3.42Å; S220-T260 WeakPolarHBondContact CA-OG1 3.31Å; S220-T260 PolarHBondContact O-N 2.84Å; S220-Q261 VanDerWaalsContact O-CB 3.26Å; S220-Q261 WeakPolarHBondContact O-CB 3.24Å; S220-Q261 VanDerWaalsContact O-CG 3.31Å; S220-Q261 WeakPolarHBondContact O-CG 3.47Å; S220-Q261 PolarHBondContact O-N 2.79Å |
| 221 | M | 95 | Very high | 98 | Very high | 16 Ų | 16 | 11.3 Ų | 11.3 | 8% | 0.079 | 6% | 0.063 | C | C | . | . | S | Bend | trans | -103.4 | -37 | 178.4 | -86 | -179.2 | 66.9 | 0 | 0 | 114.2 | T27 S87 M97 P256 T257 F258 G259 | T27-M221 HydrophobicContact CG2-CB 4.45Å; T27-M221 HydrophobicContact CG2-CG 3.69Å; T27-M221 HydrophobicContact CG2-SD 3.18Å; T27-M221 WeakPolarHBondContact CG2-SD 3.46Å; S87-M221 WeakPolarHBondContact CB-SD 3.28Å; M97-M221 HydrophobicContact SD-CE 3.84Å; M221-P256 CarbonylContact O-C 3.46Å; M221-P256 VanDerWaalsContact O-O 3.12Å; M221-T257 CarbonylContact O-C 3.58Å; M221-T257 WeakPolarHBondContact O-CA 3.07Å; M221-F258 CarbonylContact O-C 3.56Å; M221-F258 VanDerWaalsContact O-C 3.26Å; M221-F258 PolarHBondContact O-N 3.46Å; M221-F258 VanDerWaalsContact O-N 3.1Å; M221-G259 PolarHBondContact O-N 2.78Å; M221-G259 VanDerWaalsContact O-N 3.17Å |
| 222 | S | 96.1 | Very high | 98 | Very high | 17 Ų | 17 | 13.2 Ų | 13.2 | 12% | 0.119 | 7% | 0.069 | C | C | . | . | trans | -130.7 | 159.9 | -168.1 | 58.9 | 0 | 0 | 0 | 0 | 113.4 | G219 D255 F258 | G219-S222 PolarHBondContact N-O 3Å; S222-D255 CarbonylContact C-O 3.57Å; S222-D255 WeakPolarHBondContact CA-O 3.32Å; S222-D255 WeakPolarHBondContact CB-O 3.27Å; S222-F258 CarbonylContact C-O 3.47Å; S222-F258 VanDerWaalsContact CA-O 3.32Å; S222-F258 WeakPolarHBondContact CA-O 3.29Å | ||
| 223 | T | 98 | Very high | 97.9 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 135.9 | 170 | -67.9 | 0 | 0 | 0 | 0 | 108.4 | F216 D217 I218 H254 D255 F258 P349 | F216-T223 HydrophobicContact CE1-CG2 3.73Å; F216-T223 HydrophobicContact CZ-CG2 3.73Å; D217-T223 CarbonylContact O-C 2.92Å; D217-T223 WeakPolarHBondContact O-CA 3.23Å; I218-T223 HydrophobicContact CG1-CG2 3.98Å; T223-H254 CarbonylContact O-C 3.48Å; T223-H254 WeakPolarHBondContact O-CA 3.19Å; T223-H254 WeakPolarHBondContact O-CB 3.46Å; T223-D255 PolarHBondContact N-O 2.85Å; T223-D255 PolarHBondContact O-N 3.43Å; T223-F258 WeakPolarHBondContact CB-O 3.26Å; T223-F258 HydrophobicContact CG2-CD1 4.33Å; T223-F258 PolarHBondContact N-O 2.9Å; T223-F258 WeakPolarHBondContact OG1-CD1 3.08Å; T223-F258 PolarHBondContact OG1-O 2.94Å; T223-P349 HydrophobicContact CG2-CB 4.25Å; T223-P349 HydrophobicContact CG2-CG 3.94Å |
| 224 | T | 97.7 | Very high | 97.8 | Very high | 2 Ų | 2 | 17.6 Ų | 17.6 | 1% | 0.012 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 127.9 | 178.1 | -56.1 | 0 | 0 | 0 | 0 | 109 | N191 D217 V252 S253 | N191-T224 HydrophobicContact CB-CG2 4.24Å; D217-T224 PolarHBondContact N-O 2.73Å; D217-T224 PolarHBondContact O-N 3.31Å; T224-V252 HydrophobicContact CG2-CG1 3.97Å; T224-S253 WeakPolarHBondContact CA-O 3.24Å |
| 225 | A | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 132.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | F215 F216 V252 S253 P349 I353 | F215-A225 WeakPolarHBondContact O-CA 3.42Å; F216-A225 HydrophobicContact CD2-CB 3.7Å; F216-A225 HydrophobicContact CE2-CB 3.76Å; A225-V252 WeakPolarHBondContact O-CA 3.39Å; A225-S253 PolarHBondContact N-O 3.45Å; A225-S253 PolarHBondContact O-N 3.38Å; A225-P349 HydrophobicContact CB-CB 3.81Å; A225-P349 VanDerWaalsContact CB-O 3.28Å; A225-P349 WeakPolarHBondContact CB-O 3.25Å; A225-I353 HydrophobicContact CB-CD1 3.66Å; A225-I353 HydrophobicContact CB-CG1 4.14Å; A225-I353 HydrophobicContact CB-CG2 4.21Å; A225-I353 WeakPolarHBondContact O-CG2 3.34Å |
| 226 | T | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.006 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 120.6 | -176 | -59.8 | 0 | 0 | 0 | 0 | 110.2 | N191 V214 F215 I249 V252 | N191-T226 HydrophobicContact CB-CG2 4.45Å; N191-T226 WeakPolarHBondContact CB-OG1 3.35Å; N191-T226 PolarHBondContact ND2-OG1 2.95Å; V214-T226 CarbonylContact C-O 3.5Å; V214-T226 VanDerWaalsContact CA-O 3.24Å; V214-T226 WeakPolarHBondContact CA-O 3.28Å; F215-T226 PolarHBondContact N-O 2.62Å; F215-T226 PolarHBondContact O-N 2.98Å; T226-I249 HydrophobicContact CG2-CD1 4.02Å; T226-I249 HydrophobicContact CG2-CG2 3.95Å; T226-V252 HydrophobicContact CG2-CG2 4.31Å |
| 227 | L | 98.8 | Very high | 96.9 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 118.2 | 167.6 | -178.5 | 63.7 | 0 | 0 | 0 | 108.6 | V214 V250 N251 I353 M354 F357 L362 | V214-L227 HydrophobicContact CG2-CD1 3.95Å; L227-V250 HydrophobicContact CB-CB 4.29Å; L227-V250 HydrophobicContact CD2-CB 3.97Å; L227-V250 HydrophobicContact CD2-CG1 3.77Å; L227-V250 HydrophobicContact CG-CB 3.91Å; L227-V250 HydrophobicContact CG-CG1 4.29Å; L227-V250 HydrophobicContact CG-CG2 4.42Å; L227-V250 WeakPolarHBondContact O-CB 3.4Å; L227-V250 PolarHBondContact O-N 3.34Å; L227-N251 HydrophobicContact CB-CB 4.33Å; L227-N251 PolarHBondContact N-O 2.88Å; L227-N251 PolarHBondContact O-N 3.05Å; L227-I353 HydrophobicContact CB-CB 4.47Å; L227-I353 HydrophobicContact CB-CD1 4.25Å; L227-M354 HydrophobicContact CD1-SD 4.45Å; L227-F357 HydrophobicContact CD1-CZ 4.41Å; L227-F357 HydrophobicContact CD2-CB 4.48Å; L227-F357 HydrophobicContact CD2-CD2 3.66Å; L227-F357 HydrophobicContact CD2-CE2 3.97Å; L227-F357 HydrophobicContact CD2-CG 3.95Å; L227-L362 HydrophobicContact CD1-CD1 4.36Å |
| 228 | A | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 139.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | A195 Y212 Y213 F215 Y230 L247 I249 | A195-A228 HydrophobicContact CB-CB 4.38Å; Y212-A228 CarbonylContact C-O 3.43Å; Y212-A228 VanDerWaalsContact CA-O 3.29Å; Y212-A228 WeakPolarHBondContact CA-O 3.2Å; Y213-A228 PolarHBondContact N-O 2.91Å; Y213-A228 PolarHBondContact O-N 3.05Å; F215-A228 HydrophobicContact CD2-CB 4.19Å; F215-A228 HydrophobicContact CE2-CB 3.91Å; A228-Y230 HydrophobicContact CB-CE2 4.2Å; A228-L247 HydrophobicContact CB-CD1 3.81Å; A228-I249 HydrophobicContact CB-CD1 4.3Å |
| 229 | A | 98.7 | Very high | 95.9 | Very high | 9 Ų | 9 | 37.5 Ų | 37.5 | 7% | 0.074 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 135.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | P210 Q211 Y212 L247 R248 V250 | P210-A229 HydrophobicContact CB-CB 4.38Å; Q211-A229 CarbonylContact O-C 3.53Å; Q211-A229 WeakPolarHBondContact O-CA 2.96Å; Y212-A229 HydrophobicContact CD1-CB 3.83Å; Y212-A229 HydrophobicContact CE1-CB 3.67Å; A229-L247 WeakPolarHBondContact O-CA 3.26Å; A229-R248 HydrophobicContact CB-CB 4.5Å; A229-R248 PolarHBondContact N-O 3Å; A229-R248 PolarHBondContact O-N 2.93Å; A229-V250 HydrophobicContact CB-CG2 3.63Å |
| 230 | Y | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 135.5 | 173.5 | -58.3 | -89.9 | 0 | 0 | 0 | 111.6 | A195 F198 F206 P210 Q211 Y213 F215 A228 M246 L247 F420 | A195-Y230 WeakPolarHBondContact CA-OH 3.27Å; A195-Y230 WeakPolarHBondContact CB-OH 3.39Å; A195-Y230 PolarHBondContact O-OH 3.47Å; F198-Y230 HydrophobicContact CD1-CE1 4.4Å; F198-Y230 AromaticContact CD1-CE2 3.82Å; F198-Y230 HydrophobicContact CD1-CE2 3.82Å; F198-Y230 AromaticContact CD1-CZ 3.68Å; F198-Y230 HydrophobicContact CE1-CE2 4.03Å; F206-Y230 VanDerWaalsContact CD2-CB 3.46Å; F206-Y230 HydrophobicContact CD2-CD1 4.33Å; F206-Y230 HydrophobicContact CD2-CG 4.1Å; F206-Y230 HydrophobicContact CE1-CD2 4.48Å; F206-Y230 HydrophobicContact CE1-CG 4.31Å; F206-Y230 VanDerWaalsContact CE2-CB 3.41Å; F206-Y230 AromaticContact CE2-CD1 3.64Å; F206-Y230 HydrophobicContact CE2-CD1 3.64Å; F206-Y230 HydrophobicContact CE2-CD2 4.31Å; F206-Y230 HydrophobicContact CE2-CE1 4.5Å; F206-Y230 AromaticContact CE2-CG 3.53Å; F206-Y230 HydrophobicContact CE2-CG 3.53Å; F206-Y230 HydrophobicContact CZ-CD1 4.1Å; F206-Y230 AromaticContact CZ-CD2 3.97Å; F206-Y230 HydrophobicContact CZ-CD2 3.97Å; F206-Y230 AromaticContact CZ-CG 3.65Å; F206-Y230 HydrophobicContact CZ-CG 3.65Å; P210-Y230 CarbonylContact C-O 3.11Å; P210-Y230 WeakPolarHBondContact CA-O 3.29Å; Q211-Y230 PolarHBondContact N-O 3.39Å; Q211-Y230 PolarHBondContact O-N 3.39Å; Y213-Y230 AromaticContact CD2-CD2 3.54Å; Y213-Y230 HydrophobicContact CD2-CD2 3.54Å; Y213-Y230 AromaticContact CD2-CE2 3.7Å; Y213-Y230 HydrophobicContact CD2-CE2 3.7Å; Y213-Y230 AromaticContact CE2-CD2 3.9Å; Y213-Y230 HydrophobicContact CE2-CD2 3.9Å; Y213-Y230 HydrophobicContact CE2-CE2 4.37Å; Y213-Y230 HydrophobicContact CG-CE2 4.26Å; F215-Y230 HydrophobicContact CE2-CE2 4.37Å; F215-Y230 WeakPolarHBondContact CE2-OH 3.34Å; F215-Y230 WeakPolarHBondContact CZ-OH 3.36Å; A228-Y230 HydrophobicContact CB-CE2 4.2Å; Y230-M246 WeakPolarHBondContact CA-O 3.36Å; Y230-L247 HydrophobicContact CD1-CB 4.3Å; Y230-L247 HydrophobicContact CD1-CD1 4.24Å; Y230-L247 HydrophobicContact CE1-CB 4.15Å; Y230-L247 HydrophobicContact CE1-CD1 3.69Å; Y230-L247 HydrophobicContact CE1-CG 4.36Å; Y230-L247 HydrophobicContact CE2-CD1 4.47Å; Y230-F420 HydrophobicContact CD1-CZ 4.18Å; Y230-F420 HydrophobicContact CE1-CZ 4.43Å |
| 231 | S | 98.4 | Very high | 95.6 | Very high | 13 Ų | 13 | 44 Ų | 44 | 9% | 0.091 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 158.9 | 170.3 | 57.9 | 0 | 0 | 0 | 0 | 110.1 | N207 H235 P245 M246 | N207-S231 CarbonylContact O-C 3.58Å; N207-S231 VanDerWaalsContact O-CA 3.28Å; N207-S231 WeakPolarHBondContact O-CA 3.47Å; S231-H235 PolarHBondContact OG-NE2 3.13Å; S231-P245 WeakPolarHBondContact O-CA 3.26Å; S231-M246 PolarHBondContact N-O 3.3Å; S231-M246 VanDerWaalsContact N-O 3.13Å; S231-M246 PolarHBondContact O-N 2.92Å |
| 232 | Y | 98.3 | Very high | 95.7 | Very high | 82 Ų | 82 | 44 Ų | 44 | 32% | 0.322 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 117.9 | 170.9 | -177.9 | -86.9 | 0 | 0 | 0 | 109 | F203 N207 E208 D243 P245 | F203-Y232 AromaticContact CD2-CD2 3.79Å; F203-Y232 HydrophobicContact CD2-CD2 3.79Å; F203-Y232 AromaticContact CD2-CE2 3.72Å; F203-Y232 HydrophobicContact CD2-CE2 3.72Å; F203-Y232 HydrophobicContact CE2-CE2 4.02Å; N207-Y232 CarbonylContact C-O 3.44Å; N207-Y232 PolarHBondContact O-N 2.82Å; E208-Y232 PolarHBondContact N-O 3.36Å; Y232-D243 HydrophobicContact CE1-CB 4.32Å; Y232-P245 HydrophobicContact CD2-CB 3.96Å; Y232-P245 HydrophobicContact CD2-CG 4.38Å |
| 233 | G | 96.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.1 | -164.2 | -178 | 0 | 0 | 0 | 0 | 0 | 112.1 | H235 D243 F244 | G233-H235 PolarHBondContact O-CD2 3.36Å; G233-H235 PolarHBondContact O-N 3.47Å; G233-H235 VanDerWaalsContact O-N 3.08Å; G233-D243 CarbonylContact O-C 3.5Å; G233-D243 WeakPolarHBondContact O-CA 3.42Å; G233-F244 PolarHBondContact N-O 3.32Å; G233-F244 PolarHBondContact O-N 2.85Å |
| 234 | K | 97 | Very high | 95.7 | Very high | 156 Ų | 156 | 48.9 Ų | 48.9 | 68% | 0.678 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 107.2 | -178.4 | -71.1 | -173 | -180 | 178.4 | 0 | 111.4 | G242 D243 | K234-G242 WeakPolarHBondContact CA-O 3.42Å; K234-D243 VanDerWaalsContact CG-OD1 3.23Å; K234-D243 WeakPolarHBondContact CG-OD1 3.34Å |
| 235 | H | 95.5 | Very high | 95.7 | Very high | 38 Ų | 38 | 48.9 Ų | 48.9 | 18% | 0.176 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 154.3 | 176.8 | -61.3 | -50.3 | 0 | 0 | 0 | 111 | S231 G233 V241 G242 F244 M246 I421 | S231-H235 PolarHBondContact OG-NE2 3.13Å; G233-H235 PolarHBondContact O-CD2 3.36Å; G233-H235 PolarHBondContact O-N 3.47Å; G233-H235 VanDerWaalsContact O-N 3.08Å; H235-V241 WeakPolarHBondContact O-CA 3.39Å; H235-G242 PolarHBondContact N-O 2.86Å; H235-G242 PolarHBondContact O-N 3.5Å; H235-G242 VanDerWaalsContact O-N 3.11Å; H235-F244 PolarHBondContact CD2-O 3.28Å; H235-F244 WeakPolarHBondContact O-CD2 3.3Å; H235-M246 HydrophobicContact CB-CE 3.78Å; H235-M246 VanDerWaalsContact CG-CE 3.49Å; H235-I421 HydrophobicContact CB-CD1 3.48Å; H235-I421 VanDerWaalsContact CB-CD1 3.48Å |
| 236 | R | 92.2 | Very high | 95.7 | Very high | 176 Ų | 176 | 50.5 Ų | 50.5 | 66% | 0.664 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 132.1 | 172.9 | -177.2 | 177.5 | 177 | -173.8 | 0.6 | 109.7 | G238 V240 V241 | R236-G238 WeakPolarHBondContact CG-O 3.39Å; R236-G238 PolarHBondContact NE-O 3.26Å; R236-V240 WeakPolarHBondContact CA-O 3.39Å; R236-V241 HydrophobicContact CB-CG2 4.09Å; R236-V241 HydrophobicContact CG-CG2 4.01Å |
| 237 | D | 88.9 | Confident | 95.7 | Very high | 34 Ų | 34 | 50.5 Ų | 50.5 | 18% | 0.182 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 102.4 | 172 | -172.4 | 26.9 | 0 | 0 | 0 | 109.4 | D239 V240 R419 I421 | D237-D239 PolarHBondContact O-N 2.67Å; D237-V240 PolarHBondContact N-O 3.33Å; D237-V240 PolarHBondContact O-N 3.22Å; D237-V240 VanDerWaalsContact O-N 3.13Å; D237-R419 WeakPolarHBondContact OD2-CD 3.27Å; D237-R419 IonicContact OD2-CZ 3.04Å; D237-R419 IonicContact OD2-NE 2.64Å; D237-R419 IonicContact OD2-NH1 2.94Å; D237-R419 PolarHBondContact OD2-NH1 2.83Å; D237-I421 HydrophobicContact CB-CD1 3.83Å; D237-I421 HydrophobicContact CB-CG1 3.91Å |
| 238 | G | 86.4 | Confident | 95.7 | Very high | 51 Ų | 51 | 55.4 Ų | 55.4 | 53% | 0.526 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | -124.2 | -167.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | R236 V240 | R236-G238 WeakPolarHBondContact CG-O 3.39Å; R236-G238 PolarHBondContact NE-O 3.26Å; G238-V240 VanDerWaalsContact C-N 3.32Å |
| 239 | D | 87.2 | Confident | 95.7 | Very high | 156 Ų | 156 | 55.4 Ų | 55.4 | 83% | 0.834 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -2.8 | 179 | -58.9 | -36.7 | 0 | 0 | 0 | 113.3 | D237 | D237-D239 PolarHBondContact O-N 2.67Š|
| 240 | V | 92.5 | Very high | 95.6 | Very high | 65 Ų | 65 | 56.6 Ų | 56.6 | 39% | 0.394 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 127.2 | -175.8 | -170.1 | 0 | 0 | 0 | 0 | 109.6 | R236 D237 G238 F244 | R236-V240 WeakPolarHBondContact CA-O 3.39Å; D237-V240 PolarHBondContact N-O 3.33Å; D237-V240 PolarHBondContact O-N 3.22Å; D237-V240 VanDerWaalsContact O-N 3.13Å; G238-V240 VanDerWaalsContact C-N 3.32Å; V240-F244 HydrophobicContact CG1-CE2 4.13Å; V240-F244 HydrophobicContact CG1-CZ 3.72Å |
| 241 | V | 95.1 | Very high | 95.6 | Very high | 102 Ų | 102 | 57.7 Ų | 57.7 | 62% | 0.618 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 131.2 | 169.9 | -177.9 | 0 | 0 | 0 | 0 | 108.4 | H235 R236 | H235-V241 WeakPolarHBondContact O-CA 3.39Å; R236-V241 HydrophobicContact CB-CG2 4.09Å; R236-V241 HydrophobicContact CG-CG2 4.01Å |
| 242 | G | 96.3 | Very high | 95.5 | Very high | 18 Ų | 18 | 57.2 Ų | 57.2 | 19% | 0.186 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.1 | 177.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | K234 H235 F244 | K234-G242 WeakPolarHBondContact CA-O 3.42Å; H235-G242 PolarHBondContact N-O 2.86Å; H235-G242 PolarHBondContact O-N 3.5Å; H235-G242 VanDerWaalsContact O-N 3.11Å; G242-F244 VanDerWaalsContact N-CE2 3.27Å; G242-F244 WeakPolarHBondContact O-CD2 3.41Å; G242-F244 PolarHBondContact O-N 2.92Å |
| 243 | D | 96.8 | Very high | 95.4 | Very high | 88 Ų | 88 | 53.7 Ų | 53.7 | 47% | 0.471 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 103.1 | 174.3 | -63.5 | -45.9 | 0 | 0 | 0 | 109.2 | Y232 G233 K234 | Y232-D243 HydrophobicContact CE1-CB 4.32Å; G233-D243 CarbonylContact O-C 3.5Å; G233-D243 WeakPolarHBondContact O-CA 3.42Å; K234-D243 VanDerWaalsContact CG-OD1 3.23Å; K234-D243 WeakPolarHBondContact CG-OD1 3.34Å |
| 244 | F | 97.5 | Very high | 95.3 | Very high | 30 Ų | 30 | 54.5 Ų | 54.5 | 13% | 0.132 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 146.8 | -177.4 | -55.8 | -50.2 | 0 | 0 | 0 | 110.6 | G233 H235 V240 G242 R419 I421 | G233-F244 PolarHBondContact N-O 3.32Å; G233-F244 PolarHBondContact O-N 2.85Å; H235-F244 PolarHBondContact CD2-O 3.28Å; H235-F244 WeakPolarHBondContact O-CD2 3.3Å; V240-F244 HydrophobicContact CG1-CE2 4.13Å; V240-F244 HydrophobicContact CG1-CZ 3.72Å; G242-F244 VanDerWaalsContact N-CE2 3.27Å; G242-F244 WeakPolarHBondContact O-CD2 3.41Å; G242-F244 PolarHBondContact O-N 2.92Å; F244-R419 HydrophobicContact CD1-CB 4.01Å; F244-R419 HydrophobicContact CD1-CG 4.24Å; F244-R419 HydrophobicContact CE1-CB 4.17Å; F244-R419 HydrophobicContact CE1-CG 4.41Å; F244-R419 HydrophobicContact CG-CG 4.47Å; F244-I421 HydrophobicContact CB-CD1 4.07Å; F244-I421 HydrophobicContact CB-CG1 4.3Å; F244-I421 HydrophobicContact CD2-CD1 4.1Å; F244-I421 HydrophobicContact CG-CD1 4.49Å |
| 245 | P | 98.3 | Very high | 95.2 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.013 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 141.7 | 159.7 | 27.5 | -30.5 | 0 | 0 | 0 | 111.2 | F203 S231 Y232 T418 R419 F420 I421 | F203-P245 HydrophobicContact CB-CB 3.66Å; F203-P245 HydrophobicContact CB-CG 4.22Å; F203-P245 HydrophobicContact CD2-CB 4.25Å; F203-P245 HydrophobicContact CD2-CG 4.13Å; F203-P245 HydrophobicContact CG-CB 4.1Å; F203-P245 HydrophobicContact CG-CG 4.13Å; S231-P245 WeakPolarHBondContact O-CA 3.26Å; Y232-P245 HydrophobicContact CD2-CB 3.96Å; Y232-P245 HydrophobicContact CD2-CG 4.38Å; P245-T418 HydrophobicContact CG-CG2 4.29Å; P245-R419 VanDerWaalsContact CD-O 3.28Å; P245-R419 WeakPolarHBondContact CD-O 3.41Å; P245-F420 HydrophobicContact CB-CD1 4.28Å; P245-F420 HydrophobicContact CB-CD2 3.66Å; P245-F420 HydrophobicContact CB-CE1 4.18Å; P245-F420 HydrophobicContact CB-CE2 3.59Å; P245-F420 HydrophobicContact CB-CG 4.02Å; P245-F420 HydrophobicContact CB-CZ 3.86Å; P245-F420 HydrophobicContact CG-CB 4.08Å; P245-F420 HydrophobicContact CG-CD1 4.4Å; P245-F420 HydrophobicContact CG-CD2 3.41Å; P245-F420 VanDerWaalsContact CG-CD2 3.41Å; P245-F420 HydrophobicContact CG-CE2 3.88Å; P245-F420 HydrophobicContact CG-CG 3.71Å; P245-I421 PolarHBondContact O-N 3.5Å |
| 246 | M | 98.2 | Very high | 95 | Very high | 35 Ų | 35 | 46.6 Ų | 46.6 | 17% | 0.172 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 136.3 | 173.8 | -176 | -178.5 | -64.5 | 0 | 0 | 110.4 | Y230 S231 H235 I421 | Y230-M246 WeakPolarHBondContact CA-O 3.36Å; S231-M246 PolarHBondContact N-O 3.3Å; S231-M246 VanDerWaalsContact N-O 3.13Å; S231-M246 PolarHBondContact O-N 2.92Å; H235-M246 HydrophobicContact CB-CE 3.78Å; H235-M246 VanDerWaalsContact CG-CE 3.49Å; M246-I421 CarbonylContact C-O 3.57Å; M246-I421 WeakPolarHBondContact CA-O 3.16Å; M246-I421 HydrophobicContact CB-CB 4.24Å; M246-I421 HydrophobicContact CE-CB 4.38Å; M246-I421 HydrophobicContact CE-CD1 3.97Å; M246-I421 HydrophobicContact CE-CG2 4.07Å; M246-I421 HydrophobicContact CG-CB 4.09Å; M246-I421 HydrophobicContact CG-CG2 4.16Å |
| 247 | L | 98.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 122.9 | 164.8 | 163.1 | 63.4 | 0 | 0 | 0 | 107.2 | A195 L196 A228 A229 Y230 I249 F420 I421 V422 K423 | A195-L247 HydrophobicContact CB-CD1 4Å; A195-L247 HydrophobicContact CB-CD2 3.75Å; L196-L247 HydrophobicContact CB-CD2 4.03Å; A228-L247 HydrophobicContact CB-CD1 3.81Å; A229-L247 WeakPolarHBondContact O-CA 3.26Å; Y230-L247 HydrophobicContact CD1-CB 4.3Å; Y230-L247 HydrophobicContact CD1-CD1 4.24Å; Y230-L247 HydrophobicContact CE1-CB 4.15Å; Y230-L247 HydrophobicContact CE1-CD1 3.69Å; Y230-L247 HydrophobicContact CE1-CG 4.36Å; Y230-L247 HydrophobicContact CE2-CD1 4.47Å; L247-I249 HydrophobicContact CD1-CD1 3.97Å; L247-I249 HydrophobicContact CD2-CD1 4.4Å; L247-I249 HydrophobicContact CG-CD1 4.28Å; L247-F420 HydrophobicContact CB-CD1 4.38Å; L247-F420 HydrophobicContact CB-CE1 3.61Å; L247-F420 HydrophobicContact CB-CZ 4.48Å; L247-I421 PolarHBondContact N-O 3.27Å; L247-V422 HydrophobicContact CD2-CG1 4.29Å; L247-V422 WeakPolarHBondContact O-CA 3.21Å; L247-K423 PolarHBondContact O-N 2.93Å |
| 248 | R | 98.4 | Very high | 95.5 | Very high | 105 Ų | 105 | 37.8 Ų | 37.8 | 40% | 0.396 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 125.7 | 167.8 | 179.8 | -179.7 | 176.2 | -172.2 | 1.1 | 109.2 | A229 V250 K423 | A229-R248 HydrophobicContact CB-CB 4.5Å; A229-R248 PolarHBondContact N-O 3Å; A229-R248 PolarHBondContact O-N 2.93Å; R248-V250 PolarHBondContact O-N 2.87Å; R248-K423 WeakPolarHBondContact CA-O 3.3Å; R248-K423 HydrophobicContact CB-CB 4.42Å; R248-K423 HydrophobicContact CG-CB 4.34Å |
| 249 | I | 98.7 | Very high | 96 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 115.5 | 167.1 | -53.2 | -58.1 | 0 | 0 | 0 | 107.6 | A195 T226 A228 L247 V252 K423 Y425 | A195-I249 HydrophobicContact CB-CD1 4.31Å; T226-I249 HydrophobicContact CG2-CD1 4.02Å; T226-I249 HydrophobicContact CG2-CG2 3.95Å; A228-I249 HydrophobicContact CB-CD1 4.3Å; L247-I249 HydrophobicContact CD1-CD1 3.97Å; L247-I249 HydrophobicContact CD2-CD1 4.4Å; L247-I249 HydrophobicContact CG-CD1 4.28Å; I249-V252 HydrophobicContact CG2-CG2 3.38Å; I249-K423 PolarHBondContact N-O 2.72Å; I249-Y425 HydrophobicContact CG2-CG 4.31Å |
| 250 | V | 98.3 | Very high | 96.5 | Very high | 33 Ų | 33 | 28.6 Ų | 28.6 | 20% | 0.2 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | -45.7 | -173 | -178.4 | 0 | 0 | 0 | 0 | 110.6 | Y212 L227 A229 R248 Y425 | Y212-V250 HydrophobicContact CD1-CG2 4.28Å; Y212-V250 HydrophobicContact CE1-CG2 4.11Å; L227-V250 HydrophobicContact CB-CB 4.29Å; L227-V250 HydrophobicContact CD2-CB 3.97Å; L227-V250 HydrophobicContact CD2-CG1 3.77Å; L227-V250 HydrophobicContact CG-CB 3.91Å; L227-V250 HydrophobicContact CG-CG1 4.29Å; L227-V250 HydrophobicContact CG-CG2 4.42Å; L227-V250 WeakPolarHBondContact O-CB 3.4Å; L227-V250 PolarHBondContact O-N 3.34Å; A229-V250 HydrophobicContact CB-CG2 3.63Å; R248-V250 PolarHBondContact O-N 2.87Å; V250-Y425 WeakPolarHBondContact O-CD2 3.33Å; V250-Y425 WeakPolarHBondContact O-CE2 3.43Å |
| 251 | N | 97.8 | Very high | 96.7 | Very high | 23 Ų | 23 | 26.2 Ų | 26.2 | 12% | 0.123 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 148.6 | 179.4 | -158.6 | -5.3 | 0 | 0 | 0 | 110.9 | L227 D352 I353 Y425 | L227-N251 HydrophobicContact CB-CB 4.33Å; L227-N251 PolarHBondContact N-O 2.88Å; L227-N251 PolarHBondContact O-N 3.05Å; N251-D352 PolarHBondContact ND2-O 3.08Å; N251-I353 HydrophobicContact CB-CB 4.23Å; N251-I353 HydrophobicContact CB-CG2 4.42Å; N251-I353 WeakPolarHBondContact ND2-CA 3.19Å; N251-I353 PolarHBondContact ND2-O 3.08Å; N251-Y425 HydrophobicContact CB-CE2 4.49Å; N251-Y425 PolarHBondContact OD1-OH 3.4Å |
| 252 | V | 96.7 | Very high | 96.9 | Very high | 4 Ų | 4 | 22.2 Ų | 22.2 | 2% | 0.024 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 132 | 179 | -173.8 | 0 | 0 | 0 | 0 | 109.8 | T224 A225 T226 I249 Y425 R467 | T224-V252 HydrophobicContact CG2-CG1 3.97Å; A225-V252 WeakPolarHBondContact O-CA 3.39Å; T226-V252 HydrophobicContact CG2-CG2 4.31Å; I249-V252 HydrophobicContact CG2-CG2 3.38Å; V252-Y425 HydrophobicContact CB-CD1 4.16Å; V252-Y425 HydrophobicContact CB-CE1 4.42Å; V252-Y425 HydrophobicContact CG2-CD1 4.03Å; V252-Y425 HydrophobicContact CG2-CG 4.16Å; V252-R467 PolarHBondContact O-NH2 3.19Å |
| 253 | S | 95.6 | Very high | 97 | Very high | 8 Ų | 8 | 21.4 Ų | 21.4 | 6% | 0.056 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 154.9 | 167.6 | -173.2 | 0 | 0 | 0 | 0 | 109.8 | T224 A225 D352 | T224-S253 WeakPolarHBondContact CA-O 3.24Å; A225-S253 PolarHBondContact N-O 3.45Å; A225-S253 PolarHBondContact O-N 3.38Å; S253-D352 VanDerWaalsContact CB-CB 3.43Å; S253-D352 WeakPolarHBondContact OG-CB 3.3Å; S253-D352 PolarHBondContact OG-OD2 2.96Å |
| 254 | H | 94.6 | Very high | 97.1 | Very high | 20 Ų | 20 | 17.8 Ų | 17.8 | 9% | 0.093 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 158.1 | -172.9 | 61 | -82.6 | 0 | 0 | 0 | 111.4 | H164 T223 L427 | H164-H254 VanDerWaalsContact CB-CD2 3.5Å; H164-H254 WeakPolarHBondContact CB-CD2 3.36Å; T223-H254 CarbonylContact O-C 3.48Å; T223-H254 WeakPolarHBondContact O-CA 3.19Å; T223-H254 WeakPolarHBondContact O-CB 3.46Å; H254-L427 WeakPolarHBondContact CE1-CD2 3.23Å |
| 255 | D | 94.7 | Very high | 97.1 | Very high | 21 Ų | 21 | 17.8 Ų | 17.8 | 11% | 0.112 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 104.9 | 163.7 | -177 | -25.9 | 0 | 0 | 0 | 107.3 | S222 T223 T257 F258 R345 | S222-D255 CarbonylContact C-O 3.57Å; S222-D255 WeakPolarHBondContact CA-O 3.32Å; S222-D255 WeakPolarHBondContact CB-O 3.27Å; T223-D255 PolarHBondContact N-O 2.85Å; T223-D255 PolarHBondContact O-N 3.43Å; D255-T257 PolarHBondContact O-N 3.04Å; D255-T257 PolarHBondContact OD1-N 2.94Å; D255-T257 PolarHBondContact OD1-OG1 3.28Å; D255-F258 HydrophobicContact CB-CB 3.79Å; D255-F258 PolarHBondContact O-N 3.47Å; D255-F258 PolarHBondContact OD1-N 3.04Å; D255-F258 VanDerWaalsContact OD2-CB 3.27Å; D255-F258 WeakPolarHBondContact OD2-CB 3.45Å; D255-R345 IonicContact OD1-NH2 3.74Å; D255-R345 PolarHBondContact OD1-NH2 2.61Å; D255-R345 IonicContact OD2-CZ 3.66Å; D255-R345 VanDerWaalsContact OD2-CZ 3.27Å; D255-R345 IonicContact OD2-NE 3.5Å; D255-R345 PolarHBondContact OD2-NE 3.49Å; D255-R345 IonicContact OD2-NH2 2.92Å; D255-R345 PolarHBondContact OD2-NH2 3.17Å |
| 256 | P | 92.8 | Very high | 97.1 | Very high | 6 Ų | 6 | 21.9 Ų | 21.9 | 4% | 0.039 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -13.2 | -174.8 | -20.7 | 33.5 | 0 | 0 | 0 | 114 | M97 M221 F502 | M97-P256 HydrophobicContact SD-CB 4.23Å; M221-P256 CarbonylContact O-C 3.46Å; M221-P256 VanDerWaalsContact O-O 3.12Å; P256-F502 HydrophobicContact CB-CD1 4.17Å; P256-F502 HydrophobicContact CB-CD2 4.46Å; P256-F502 HydrophobicContact CB-CE1 4.35Å; P256-F502 HydrophobicContact CB-CG 4.28Å; P256-F502 HydrophobicContact CG-CB 4.37Å; P256-F502 HydrophobicContact CG-CD1 4.24Å; P256-F502 HydrophobicContact CG-CD2 3.78Å; P256-F502 HydrophobicContact CG-CE2 4.23Å; P256-F502 HydrophobicContact CG-CG 3.84Å |
| 257 | T | 93.7 | Very high | 97.1 | Very high | 25 Ų | 25 | 20.2 Ų | 20.2 | 15% | 0.153 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | 4 | -169.3 | 72 | 0 | 0 | 0 | 0 | 113.1 | M97 M221 D255 V262 R345 F502 | M97-T257 HydrophobicContact CE-CG2 3.35Å; M97-T257 HydrophobicContact SD-CG2 4.02Å; M221-T257 CarbonylContact O-C 3.58Å; M221-T257 WeakPolarHBondContact O-CA 3.07Å; D255-T257 PolarHBondContact O-N 3.04Å; D255-T257 PolarHBondContact OD1-N 2.94Å; D255-T257 PolarHBondContact OD1-OG1 3.28Å; T257-V262 VanDerWaalsContact O-CG1 3.23Å; T257-V262 WeakPolarHBondContact O-CG1 3.36Å; T257-R345 PolarHBondContact OG1-NH2 3.07Å; T257-F502 HydrophobicContact CG2-CE1 3.35Å; T257-F502 HydrophobicContact CG2-CE2 3.95Å; T257-F502 HydrophobicContact CG2-CZ 3.05Å |
| 258 | F | 96.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.102 | C | C | . | . | trans | -113.3 | 97 | 178.4 | -178.8 | -125.9 | 0 | 0 | 0 | 110.8 | I218 M221 S222 T223 D255 V262 F263 L342 R345 V346 | I218-F258 HydrophobicContact CD1-CE1 4.4Å; M221-F258 CarbonylContact O-C 3.56Å; M221-F258 VanDerWaalsContact O-C 3.26Å; M221-F258 PolarHBondContact O-N 3.46Å; M221-F258 VanDerWaalsContact O-N 3.1Å; S222-F258 CarbonylContact C-O 3.47Å; S222-F258 VanDerWaalsContact CA-O 3.32Å; S222-F258 WeakPolarHBondContact CA-O 3.29Å; T223-F258 WeakPolarHBondContact CB-O 3.26Å; T223-F258 HydrophobicContact CG2-CD1 4.33Å; T223-F258 PolarHBondContact N-O 2.9Å; T223-F258 WeakPolarHBondContact OG1-CD1 3.08Å; T223-F258 PolarHBondContact OG1-O 2.94Å; D255-F258 HydrophobicContact CB-CB 3.79Å; D255-F258 PolarHBondContact O-N 3.47Å; D255-F258 PolarHBondContact OD1-N 3.04Å; D255-F258 VanDerWaalsContact OD2-CB 3.27Å; D255-F258 WeakPolarHBondContact OD2-CB 3.45Å; F258-V262 HydrophobicContact CD2-CG2 3.82Å; F258-V262 HydrophobicContact CE2-CG2 4.23Å; F258-F263 HydrophobicContact CD2-CE2 4.49Å; F258-F263 AromaticContact CE2-CE2 3.57Å; F258-F263 HydrophobicContact CE2-CE2 3.57Å; F258-F263 AromaticContact CE2-CZ 3.74Å; F258-F263 HydrophobicContact CE2-CZ 3.74Å; F258-F263 HydrophobicContact CZ-CE2 4.02Å; F258-F263 HydrophobicContact CZ-CZ 4.03Å; F258-L342 HydrophobicContact CE2-CB 4.1Å; F258-L342 VanDerWaalsContact CE2-O 3.27Å; F258-L342 WeakPolarHBondContact CE2-O 3.5Å; F258-L342 VanDerWaalsContact CZ-O 3.29Å; F258-L342 WeakPolarHBondContact CZ-O 3.38Å; F258-R345 HydrophobicContact CD1-CB 4.1Å; F258-R345 HydrophobicContact CD2-CB 4.2Å; F258-R345 HydrophobicContact CE1-CB 4.22Å; F258-R345 HydrophobicContact CE2-CB 4.31Å; F258-R345 HydrophobicContact CG-CB 4.13Å; F258-R345 HydrophobicContact CZ-CB 4.33Å; F258-V346 HydrophobicContact CE1-CB 4.45Å; F258-V346 HydrophobicContact CE1-CG2 3.74Å; F258-V346 HydrophobicContact CZ-CG2 3.62Å | ||
| 259 | G | 97.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.01 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -145.2 | -169.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | G219 S220 M221 Q261 V262 | G219-G259 CarbonylContact O-C 3.45Å; G219-G259 WeakPolarHBondContact O-CA 3.48Å; S220-G259 CarbonylContact O-C 3.56Å; S220-G259 WeakPolarHBondContact O-CA 3.42Å; M221-G259 PolarHBondContact O-N 2.78Å; M221-G259 VanDerWaalsContact O-N 3.17Å; G259-Q261 PolarHBondContact O-N 3.47Å; G259-Q261 VanDerWaalsContact O-N 3.11Å; G259-V262 WeakPolarHBondContact O-CG2 3.48Å; G259-V262 PolarHBondContact O-N 2.94Å |
| 260 | T | 98.2 | Very high | 97.1 | Very high | 13 Ų | 13 | 21 Ų | 21 | 8% | 0.08 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -57.8 | -29.3 | -179.3 | 62.3 | 0 | 0 | 0 | 0 | 113.1 | G219 S220 V262 F263 I264 L304 | G219-T260 PolarHBondContact O-N 3.27Å; S220-T260 WeakPolarHBondContact CA-OG1 3.31Å; S220-T260 PolarHBondContact O-N 2.84Å; T260-V262 VanDerWaalsContact C-N 3.31Å; T260-V262 PolarHBondContact O-N 3.44Å; T260-F263 WeakPolarHBondContact O-CB 3.49Å; T260-F263 PolarHBondContact O-N 2.93Å; T260-F263 VanDerWaalsContact O-N 3.09Å; T260-I264 WeakPolarHBondContact O-CG1 3.45Å; T260-I264 PolarHBondContact O-N 3.28Å; T260-L304 HydrophobicContact CG2-CD2 4.4Å |
| 261 | Q | 97.3 | Very high | 97.1 | Very high | 15 Ų | 15 | 19.5 Ų | 19.5 | 7% | 0.07 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -57.8 | -40.7 | 179.3 | -75.9 | -171.6 | 11.3 | 0 | 0 | 112.4 | S84 S220 G259 F263 I264 Y265 | S84-Q261 PolarHBondContact OG-NE2 2.85Å; S220-Q261 VanDerWaalsContact O-CB 3.26Å; S220-Q261 WeakPolarHBondContact O-CB 3.24Å; S220-Q261 VanDerWaalsContact O-CG 3.31Å; S220-Q261 WeakPolarHBondContact O-CG 3.47Å; S220-Q261 PolarHBondContact O-N 2.79Å; G259-Q261 PolarHBondContact O-N 3.47Å; G259-Q261 VanDerWaalsContact O-N 3.11Å; Q261-F263 PolarHBondContact O-N 3.29Å; Q261-I264 WeakPolarHBondContact O-CB 3.41Å; Q261-I264 PolarHBondContact O-N 2.97Å; Q261-I264 VanDerWaalsContact O-N 3.1Å; Q261-Y265 HydrophobicContact CB-CD2 4.24Å; Q261-Y265 HydrophobicContact CB-CE2 4.22Å; Q261-Y265 WeakPolarHBondContact O-CD2 3.4Å; Q261-Y265 PolarHBondContact O-N 3.43Å |
| 262 | V | 97.8 | Very high | 97.1 | Very high | 19 Ų | 19 | 18.4 Ų | 18.4 | 12% | 0.115 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.7 | -35 | 179.7 | -67.8 | 0 | 0 | 0 | 0 | 111.9 | T257 F258 G259 T260 R266 L342 | T257-V262 VanDerWaalsContact O-CG1 3.23Å; T257-V262 WeakPolarHBondContact O-CG1 3.36Å; F258-V262 HydrophobicContact CD2-CG2 3.82Å; F258-V262 HydrophobicContact CE2-CG2 4.23Å; G259-V262 WeakPolarHBondContact O-CG2 3.48Å; G259-V262 PolarHBondContact O-N 2.94Å; T260-V262 VanDerWaalsContact C-N 3.31Å; T260-V262 PolarHBondContact O-N 3.44Å; V262-R266 VanDerWaalsContact O-CG 3.28Å; V262-R266 WeakPolarHBondContact O-CG 3.47Å; V262-R266 PolarHBondContact O-N 2.86Å; V262-L342 HydrophobicContact CB-CD1 4.06Å; V262-L342 HydrophobicContact CB-CD2 4.36Å; V262-L342 HydrophobicContact CG2-CD1 3.83Å; V262-L342 HydrophobicContact CG2-CD2 4.14Å |
| 263 | F | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -69.3 | -43.7 | 172.6 | -62.5 | -88.9 | 0 | 0 | 0 | 111.6 | F258 T260 Q261 Y265 R266 I267 L304 C339 L342 F343 I374 I377 | F258-F263 HydrophobicContact CD2-CE2 4.49Å; F258-F263 AromaticContact CE2-CE2 3.57Å; F258-F263 HydrophobicContact CE2-CE2 3.57Å; F258-F263 AromaticContact CE2-CZ 3.74Å; F258-F263 HydrophobicContact CE2-CZ 3.74Å; F258-F263 HydrophobicContact CZ-CE2 4.02Å; F258-F263 HydrophobicContact CZ-CZ 4.03Å; T260-F263 WeakPolarHBondContact O-CB 3.49Å; T260-F263 PolarHBondContact O-N 2.93Å; T260-F263 VanDerWaalsContact O-N 3.09Å; Q261-F263 PolarHBondContact O-N 3.29Å; F263-Y265 VanDerWaalsContact C-N 3.31Å; F263-Y265 PolarHBondContact O-N 3.32Å; F263-R266 PolarHBondContact O-N 3.19Å; F263-I267 VanDerWaalsContact O-CG1 3.31Å; F263-I267 WeakPolarHBondContact O-CG1 3.46Å; F263-I267 PolarHBondContact O-N 3.46Å; F263-L304 HydrophobicContact CB-CD1 3.96Å; F263-L304 HydrophobicContact CB-CD2 4Å; F263-C339 HydrophobicContact CD1-CB 3.92Å; F263-C339 HydrophobicContact CE1-CB 3.97Å; F263-L342 HydrophobicContact CD1-CD1 3.96Å; F263-L342 HydrophobicContact CE1-CB 3.87Å; F263-L342 HydrophobicContact CE1-CD1 4.04Å; F263-L342 HydrophobicContact CG-CD1 4.2Å; F263-L342 HydrophobicContact CZ-CB 3.87Å; F263-L342 HydrophobicContact CZ-CD1 4.36Å; F263-F343 HydrophobicContact CE1-CD1 4.31Å; F263-F343 AromaticContact CE1-CE1 3.73Å; F263-F343 HydrophobicContact CE1-CE1 3.73Å; F263-F343 HydrophobicContact CE1-CE2 4.37Å; F263-F343 AromaticContact CE1-CZ 3.77Å; F263-F343 HydrophobicContact CE1-CZ 3.77Å; F263-F343 HydrophobicContact CZ-CD1 4.45Å; F263-F343 HydrophobicContact CZ-CE1 4.16Å; F263-I374 HydrophobicContact CD1-CD1 4.39Å; F263-I374 HydrophobicContact CD2-CD1 4.26Å; F263-I374 HydrophobicContact CE1-CD1 4.41Å; F263-I374 HydrophobicContact CE2-CD1 4.28Å; F263-I374 HydrophobicContact CG-CD1 4.32Å; F263-I374 HydrophobicContact CZ-CD1 4.36Å; F263-I377 HydrophobicContact CE2-CD1 4.42Å; F263-I377 HydrophobicContact CZ-CD1 4.14Å |
| 264 | I | 98.5 | Very high | 97.3 | Very high | 13 Ų | 13 | 24.1 Ų | 24.1 | 7% | 0.067 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -56.8 | -45.5 | 177.2 | -67.1 | 169.9 | 0 | 0 | 0 | 110.5 | T260 Q261 I267 R268 A300 L304 | T260-I264 WeakPolarHBondContact O-CG1 3.45Å; T260-I264 PolarHBondContact O-N 3.28Å; Q261-I264 WeakPolarHBondContact O-CB 3.41Å; Q261-I264 PolarHBondContact O-N 2.97Å; Q261-I264 VanDerWaalsContact O-N 3.1Å; I264-I267 PolarHBondContact O-N 2.86Å; I264-R268 VanDerWaalsContact O-CB 3.31Å; I264-R268 WeakPolarHBondContact O-CB 3.34Å; I264-R268 PolarHBondContact O-N 3.44Å; I264-A300 HydrophobicContact CG2-CB 3.87Å; I264-A300 VanDerWaalsContact O-CB 3.29Å; I264-A300 WeakPolarHBondContact O-CB 3.37Å; I264-L304 HydrophobicContact CD1-CD2 4.4Å; I264-L304 HydrophobicContact CG1-CD2 3.77Å |
| 265 | Y | 98 | Very high | 97.5 | Very high | 30 Ų | 30 | 23.2 Ų | 23.2 | 12% | 0.118 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -68.6 | -35.2 | 179.8 | -77.3 | -73.9 | 0 | 0 | 0 | 112.6 | R104 Q261 F263 R268 D269 | R104-Y265 HydrophobicContact CB-CE1 4.31Å; R104-Y265 HydrophobicContact CB-CE2 4.19Å; R104-Y265 WeakPolarHBondContact CB-OH 3.3Å; R104-Y265 VanDerWaalsContact CD-CE2 3.46Å; R104-Y265 HydrophobicContact CG-CD2 4.15Å; R104-Y265 HydrophobicContact CG-CE1 4.1Å; R104-Y265 HydrophobicContact CG-CE2 3.58Å; R104-Y265 PolarHBondContact O-OH 2.85Å; Q261-Y265 HydrophobicContact CB-CD2 4.24Å; Q261-Y265 HydrophobicContact CB-CE2 4.22Å; Q261-Y265 WeakPolarHBondContact O-CD2 3.4Å; Q261-Y265 PolarHBondContact O-N 3.43Å; F263-Y265 VanDerWaalsContact C-N 3.31Å; F263-Y265 PolarHBondContact O-N 3.32Å; Y265-R268 VanDerWaalsContact CD1-NH1 3.29Å; Y265-R268 PolarHBondContact O-N 2.61Å; Y265-D269 WeakPolarHBondContact O-CB 3.46Å; Y265-D269 PolarHBondContact O-N 2.87Å |
| 266 | R | 98.3 | Very high | 97.7 | Very high | 87 Ų | 87 | 22.7 Ų | 22.7 | 33% | 0.328 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -64.6 | -43.2 | 171.3 | -67 | -68.1 | -176.9 | 82.5 | 5.7 | 112.2 | V262 F263 D269 H270 F338 D341 L342 | V262-R266 VanDerWaalsContact O-CG 3.28Å; V262-R266 WeakPolarHBondContact O-CG 3.47Å; V262-R266 PolarHBondContact O-N 2.86Å; F263-R266 PolarHBondContact O-N 3.19Å; R266-D269 PolarHBondContact O-N 3.18Å; R266-H270 WeakPolarHBondContact O-CB 3.46Å; R266-H270 PolarHBondContact O-N 3.03Å; R266-F338 HydrophobicContact CB-CD2 4.04Å; R266-F338 HydrophobicContact CB-CE2 3.94Å; R266-F338 PolarHBondContact NH1-O 3.31Å; R266-F338 VanDerWaalsContact NH1-O 3.13Å; R266-D341 IonicContact CZ-OD1 2.88Å; R266-D341 IonicContact CZ-OD2 3.27Å; R266-D341 IonicContact NH1-OD1 2.74Å; R266-D341 PolarHBondContact NH1-OD1 3.01Å; R266-D341 IonicContact NH1-OD2 3.34Å; R266-D341 PolarHBondContact NH1-OD2 3.3Å; R266-D341 IonicContact NH2-OD1 3.63Å; R266-D341 IonicContact NH2-OD2 2.79Å; R266-D341 PolarHBondContact NH2-OD2 3.07Å; R266-L342 HydrophobicContact CG-CD1 4.03Å |
| 267 | I | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.9 | -43.5 | 176 | -66.3 | 162.4 | 0 | 0 | 0 | 110.5 | F263 I264 D269 H270 L271 A300 V303 L304 M335 F338 | F263-I267 VanDerWaalsContact O-CG1 3.31Å; F263-I267 WeakPolarHBondContact O-CG1 3.46Å; F263-I267 PolarHBondContact O-N 3.46Å; I264-I267 PolarHBondContact O-N 2.86Å; I267-D269 VanDerWaalsContact C-N 3.31Å; I267-D269 PolarHBondContact O-N 3.4Å; I267-H270 PolarHBondContact O-N 3.09Å; I267-L271 HydrophobicContact CG2-CD1 4Å; I267-L271 HydrophobicContact CG2-CG 4.24Å; I267-L271 WeakPolarHBondContact O-CB 3.42Å; I267-L271 VanDerWaalsContact O-CG 3.28Å; I267-L271 WeakPolarHBondContact O-CG 3.49Å; I267-L271 PolarHBondContact O-N 3.18Å; I267-A300 HydrophobicContact CB-CB 3.92Å; I267-A300 HydrophobicContact CG2-CB 3.66Å; I267-V303 HydrophobicContact CG2-CB 4.05Å; I267-V303 HydrophobicContact CG2-CG1 3.8Å; I267-L304 HydrophobicContact CD1-CB 3.73Å; I267-L304 HydrophobicContact CD1-CD1 3.94Å; I267-L304 HydrophobicContact CD1-CG 4.38Å; I267-M335 HydrophobicContact CD1-CG 4.1Å; I267-M335 HydrophobicContact CD1-SD 3.9Å; I267-M335 HydrophobicContact CG1-CG 4.07Å; I267-F338 HydrophobicContact CG1-CE2 4.04Å; I267-F338 HydrophobicContact CG1-CZ 3.95Å |
| 268 | R | 98.4 | Very high | 98.1 | Very high | 39 Ų | 39 | 33.2 Ų | 33.2 | 15% | 0.147 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -55.7 | -47.1 | 176.1 | -178.4 | -158.1 | 72.4 | 178.8 | -7.2 | 111.2 | I264 Y265 L271 L272 M293 L296 A297 A300 | I264-R268 VanDerWaalsContact O-CB 3.31Å; I264-R268 WeakPolarHBondContact O-CB 3.34Å; I264-R268 PolarHBondContact O-N 3.44Å; Y265-R268 VanDerWaalsContact CD1-NH1 3.29Å; Y265-R268 PolarHBondContact O-N 2.61Å; R268-L271 WeakPolarHBondContact O-CB 3.47Å; R268-L271 PolarHBondContact O-N 3.45Å; R268-L272 WeakPolarHBondContact O-CB 3.5Å; R268-L272 PolarHBondContact O-N 3.16Å; R268-M293 HydrophobicContact CG-CE 4.21Å; R268-L296 HydrophobicContact CG-CB 3.64Å; R268-A297 HydrophobicContact CG-CB 4.45Å; R268-A300 HydrophobicContact CB-CB 3.98Å |
| 269 | D | 98.3 | Very high | 98.1 | Very high | 58 Ų | 58 | 36.6 Ų | 36.6 | 31% | 0.31 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -68.7 | -39.4 | -178.5 | -67.1 | -9.7 | 0 | 0 | 0 | 111 | Y265 R266 I267 L272 E273 | Y265-D269 WeakPolarHBondContact O-CB 3.46Å; Y265-D269 PolarHBondContact O-N 2.87Å; R266-D269 PolarHBondContact O-N 3.18Å; I267-D269 VanDerWaalsContact C-N 3.31Å; I267-D269 PolarHBondContact O-N 3.4Å; D269-L272 WeakPolarHBondContact O-CB 3.21Å; D269-L272 PolarHBondContact O-N 2.91Å; D269-E273 VanDerWaalsContact O-CG 3.3Å; D269-E273 WeakPolarHBondContact O-CG 3.31Å; D269-E273 PolarHBondContact O-N 2.81Å |
| 270 | H | 98.5 | Very high | 98.1 | Very high | 27 Ų | 27 | 45.7 Ų | 45.7 | 13% | 0.125 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.7 | -38.8 | 172.9 | -177.3 | 73.5 | 0 | 0 | 0 | 113 | R266 I267 E273 K274 E334 F338 | R266-H270 WeakPolarHBondContact O-CB 3.46Å; R266-H270 PolarHBondContact O-N 3.03Å; I267-H270 PolarHBondContact O-N 3.09Å; H270-E273 PolarHBondContact O-N 2.96Å; H270-K274 WeakPolarHBondContact NE2-CE 3.39Å; H270-K274 PolarHBondContact NE2-NZ 3.49Å; H270-K274 PolarHBondContact O-N 3.34Å; H270-K274 VanDerWaalsContact O-N 3.08Å; H270-E334 IonicContact CE1-OE1 3.18Å; H270-E334 PolarHBondContact CE1-OE1 3.43Å; H270-E334 VanDerWaalsContact NE2-CD 3.34Å; H270-E334 IonicContact NE2-OE1 2.99Å; H270-E334 PolarHBondContact NE2-OE1 2.94Å; H270-E334 IonicContact NE2-OE2 3.65Å; H270-F338 HydrophobicContact CB-CE1 4.05Å; H270-F338 HydrophobicContact CB-CZ 4.08Å; H270-F338 AromaticContact CD2-CE1 3.74Å; H270-F338 AromaticContact CG-CE1 3.67Å |
| 271 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63 | -43.2 | 173.4 | -75.3 | 172.3 | 0 | 0 | 0 | 111.7 | I267 R268 E273 K274 F275 L296 E299 A300 A315 L326 V328 I330 | I267-L271 HydrophobicContact CG2-CD1 4Å; I267-L271 HydrophobicContact CG2-CG 4.24Å; I267-L271 WeakPolarHBondContact O-CB 3.42Å; I267-L271 VanDerWaalsContact O-CG 3.28Å; I267-L271 WeakPolarHBondContact O-CG 3.49Å; I267-L271 PolarHBondContact O-N 3.18Å; R268-L271 WeakPolarHBondContact O-CB 3.47Å; R268-L271 PolarHBondContact O-N 3.45Å; L271-E273 VanDerWaalsContact C-N 3.3Å; L271-E273 PolarHBondContact O-N 3.48Å; L271-K274 PolarHBondContact O-N 3.02Å; L271-F275 VanDerWaalsContact O-CB 3.25Å; L271-F275 WeakPolarHBondContact O-CB 3.32Å; L271-F275 PolarHBondContact O-N 2.81Å; L271-L296 HydrophobicContact CB-CD2 3.86Å; L271-E299 HydrophobicContact CD1-CG 4.36Å; L271-A300 HydrophobicContact CD1-CB 4.18Å; L271-A315 HydrophobicContact CD1-CB 4.48Å; L271-A315 HydrophobicContact CD2-CB 3.39Å; L271-L326 HydrophobicContact CB-CD2 4.31Å; L271-L326 HydrophobicContact CD2-CD2 4.11Å; L271-V328 HydrophobicContact CD2-CG2 3.57Å; L271-I330 HydrophobicContact CD2-CD1 3.28Å; L271-I330 HydrophobicContact CD2-CG1 4.36Å; L271-I330 HydrophobicContact CG-CD1 3.85Å |
| 272 | L | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.6 | -44.8 | 173.8 | 171 | 67 | 0 | 0 | 0 | 111 | R268 D269 F275 C276 K283 V286 K287 M293 L296 | R268-L272 WeakPolarHBondContact O-CB 3.5Å; R268-L272 PolarHBondContact O-N 3.16Å; D269-L272 WeakPolarHBondContact O-CB 3.21Å; D269-L272 PolarHBondContact O-N 2.91Å; L272-F275 PolarHBondContact O-N 3.36Å; L272-C276 WeakPolarHBondContact O-CB 3.5Å; L272-C276 PolarHBondContact O-N 2.77Å; L272-C276 PolarHBondContact O-SG 3.17Å; L272-C276 VanDerWaalsContact O-SG 3.41Å; L272-K283 HydrophobicContact CD1-CG 4.49Å; L272-K283 HydrophobicContact CD2-CD 4.38Å; L272-K283 HydrophobicContact CD2-CG 3.87Å; L272-K283 HydrophobicContact CG-CG 4.04Å; L272-V286 HydrophobicContact CD1-CB 3.81Å; L272-V286 HydrophobicContact CD1-CG1 3.48Å; L272-V286 VanDerWaalsContact CD1-CG1 3.48Å; L272-K287 HydrophobicContact CD2-CD 4.2Å; L272-K287 HydrophobicContact CD2-CG 3.59Å; L272-M293 HydrophobicContact CD1-SD 4.36Å; L272-M293 HydrophobicContact CD2-CE 4.19Å; L272-M293 HydrophobicContact CD2-SD 4.22Å; L272-L296 HydrophobicContact CB-CD1 3.92Å; L272-L296 HydrophobicContact CD1-CD1 4.2Å |
| 273 | E | 98.3 | Very high | 98 | Very high | 93 Ų | 93 | 53.2 Ų | 53.2 | 44% | 0.435 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.3 | -52.8 | 179.4 | -73.4 | -175.1 | 159.1 | 0 | 0 | 112.3 | D269 H270 L271 F275 C276 E277 K283 | D269-E273 VanDerWaalsContact O-CG 3.3Å; D269-E273 WeakPolarHBondContact O-CG 3.31Å; D269-E273 PolarHBondContact O-N 2.81Å; H270-E273 PolarHBondContact O-N 2.96Å; L271-E273 VanDerWaalsContact C-N 3.3Å; L271-E273 PolarHBondContact O-N 3.48Å; E273-F275 VanDerWaalsContact C-N 3.3Å; E273-F275 PolarHBondContact O-N 2.96Å; E273-C276 PolarHBondContact O-N 3.02Å; E273-E277 WeakPolarHBondContact O-CB 3.42Å; E273-E277 PolarHBondContact O-N 2.64Å; E273-K283 VanDerWaalsContact CG-NZ 3.34Å; E273-K283 IonicContact OE1-NZ 2.71Å; E273-K283 PolarHBondContact OE1-NZ 3.43Å |
| 274 | K | 98.2 | Very high | 97.9 | Very high | 38 Ų | 38 | 57.8 Ų | 57.8 | 17% | 0.165 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.5 | -39.4 | 176.7 | -73.9 | -176.7 | 164.3 | 166.7 | 0 | 112.2 | H270 L271 E277 I278 V328 K329 E334 | H270-K274 WeakPolarHBondContact NE2-CE 3.39Å; H270-K274 PolarHBondContact NE2-NZ 3.49Å; H270-K274 PolarHBondContact O-N 3.34Å; H270-K274 VanDerWaalsContact O-N 3.08Å; L271-K274 PolarHBondContact O-N 3.02Å; K274-E277 PolarHBondContact O-N 2.84Å; K274-I278 WeakPolarHBondContact O-CB 3.29Å; K274-I278 WeakPolarHBondContact O-CD1 3.33Å; K274-I278 VanDerWaalsContact O-CG1 3.22Å; K274-I278 WeakPolarHBondContact O-CG1 3.21Å; K274-I278 PolarHBondContact O-N 3.01Å; K274-V328 HydrophobicContact CB-CG1 4.05Å; K274-V328 HydrophobicContact CD-CB 4.29Å; K274-V328 HydrophobicContact CD-CG2 4.44Å; K274-K329 PolarHBondContact NZ-O 3.13Å; K274-K329 VanDerWaalsContact NZ-O 3.09Å; K274-E334 WeakPolarHBondContact CE-OE1 3.4Å; K274-E334 IonicContact NZ-OE1 2.67Å; K274-E334 PolarHBondContact NZ-OE1 3.28Å; K274-E334 IonicContact NZ-OE2 3.49Å; K274-E334 PolarHBondContact NZ-OE2 2.74Å |
| 275 | F | 98.4 | Very high | 97.8 | Very high | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.009 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.7 | -52.4 | 177 | 179.2 | -117.5 | 0 | 0 | 0 | 111.4 | L271 L272 E273 E277 I278 K279 L281 V286 L320 F321 E324 L326 | L271-F275 VanDerWaalsContact O-CB 3.25Å; L271-F275 WeakPolarHBondContact O-CB 3.32Å; L271-F275 PolarHBondContact O-N 2.81Å; L272-F275 PolarHBondContact O-N 3.36Å; E273-F275 VanDerWaalsContact C-N 3.3Å; E273-F275 PolarHBondContact O-N 2.96Å; F275-E277 VanDerWaalsContact C-N 3.32Å; F275-E277 PolarHBondContact O-N 3.43Å; F275-I278 PolarHBondContact O-N 2.91Å; F275-K279 HydrophobicContact CD2-CG 3.82Å; F275-K279 HydrophobicContact CE2-CB 4.45Å; F275-K279 HydrophobicContact CE2-CG 3.58Å; F275-K279 HydrophobicContact CZ-CG 4.2Å; F275-K279 VanDerWaalsContact O-CB 3.32Å; F275-K279 WeakPolarHBondContact O-CB 3.16Å; F275-K279 WeakPolarHBondContact O-CG 3.48Å; F275-K279 PolarHBondContact O-N 3.18Å; F275-L281 HydrophobicContact CD1-CD1 4.2Å; F275-L281 HydrophobicContact CE1-CD1 3.41Å; F275-L281 VanDerWaalsContact CE1-CD1 3.41Å; F275-L281 HydrophobicContact CZ-CD1 3.64Å; F275-V286 HydrophobicContact CD1-CG1 4.48Å; F275-V286 HydrophobicContact CE1-CG1 4.42Å; F275-V286 HydrophobicContact CE1-CG2 4.36Å; F275-L320 HydrophobicContact CB-CD2 4.43Å; F275-L320 HydrophobicContact CD1-CD2 3.73Å; F275-L320 HydrophobicContact CD1-CG 4.48Å; F275-L320 HydrophobicContact CD2-CD2 3.8Å; F275-L320 HydrophobicContact CE1-CD2 3.81Å; F275-L320 HydrophobicContact CE1-CG 4.11Å; F275-L320 HydrophobicContact CE2-CB 4.31Å; F275-L320 HydrophobicContact CE2-CD2 3.87Å; F275-L320 HydrophobicContact CE2-CG 4.41Å; F275-L320 HydrophobicContact CG-CD2 3.71Å; F275-L320 HydrophobicContact CZ-CB 4.14Å; F275-L320 HydrophobicContact CZ-CD2 3.88Å; F275-L320 HydrophobicContact CZ-CG 4.07Å; F275-F321 HydrophobicContact CE1-CB 3.86Å; F275-F321 HydrophobicContact CZ-CB 4.03Å; F275-E324 HydrophobicContact CE2-CB 4.08Å; F275-E324 HydrophobicContact CZ-CB 3.91Å; F275-L326 HydrophobicContact CB-CD1 3.83Å; F275-L326 HydrophobicContact CD2-CB 4.02Å; F275-L326 HydrophobicContact CD2-CD1 3.9Å; F275-L326 HydrophobicContact CE2-CB 4.45Å; F275-L326 HydrophobicContact CG-CD1 4.29Å |
| 276 | C | 98.3 | Very high | 97.8 | Very high | 9 Ų | 9 | 60.2 Ų | 60.2 | 6% | 0.061 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.7 | -35.5 | -179.2 | -73.6 | 0 | 0 | 0 | 0 | 112.3 | L272 E273 K280 L281 | L272-C276 WeakPolarHBondContact O-CB 3.5Å; L272-C276 PolarHBondContact O-N 2.77Å; L272-C276 PolarHBondContact O-SG 3.17Å; L272-C276 VanDerWaalsContact O-SG 3.41Å; E273-C276 PolarHBondContact O-N 3.02Å; C276-K280 CarbonylContact O-C 3.49Å; C276-K280 WeakPolarHBondContact O-CA 3.35Å; C276-K280 PolarHBondContact O-N 2.89Å; C276-L281 WeakPolarHBondContact CB-O 3.36Å; C276-L281 PolarHBondContact O-N 2.86Å |
| 277 | E | 97.8 | Very high | 97.7 | Very high | 151 Ų | 151 | 60.8 Ų | 60.8 | 71% | 0.706 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -65.2 | -51.9 | 174.5 | -174.8 | -178 | 174.8 | 0 | 0 | 111.7 | E273 K274 F275 K279 K280 | E273-E277 WeakPolarHBondContact O-CB 3.42Å; E273-E277 PolarHBondContact O-N 2.64Å; K274-E277 PolarHBondContact O-N 2.84Å; F275-E277 VanDerWaalsContact C-N 3.32Å; F275-E277 PolarHBondContact O-N 3.43Å; E277-K279 PolarHBondContact O-N 3.31Å; E277-K280 PolarHBondContact O-N 3.27Å |
| 278 | I | 97.5 | Very high | 97.6 | Very high | 102 Ų | 102 | 68.2 Ų | 68.2 | 52% | 0.523 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.9 | -43 | -177 | -69.7 | 165.9 | 0 | 0 | 0 | 111.3 | K274 F275 V328 | K274-I278 WeakPolarHBondContact O-CB 3.29Å; K274-I278 WeakPolarHBondContact O-CD1 3.33Å; K274-I278 VanDerWaalsContact O-CG1 3.22Å; K274-I278 WeakPolarHBondContact O-CG1 3.21Å; K274-I278 PolarHBondContact O-N 3.01Å; F275-I278 PolarHBondContact O-N 2.91Å; I278-V328 HydrophobicContact CD1-CG1 3.31Å |
| 279 | K | 97.2 | Very high | 97.5 | Very high | 71 Ų | 71 | 67.7 Ų | 67.7 | 31% | 0.309 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -89.2 | -3.5 | -177.8 | -59.6 | -58.8 | -171.2 | 159.9 | 0 | 113.4 | F275 E277 L281 E324 D325 | F275-K279 HydrophobicContact CD2-CG 3.82Å; F275-K279 HydrophobicContact CE2-CB 4.45Å; F275-K279 HydrophobicContact CE2-CG 3.58Å; F275-K279 HydrophobicContact CZ-CG 4.2Å; F275-K279 VanDerWaalsContact O-CB 3.32Å; F275-K279 WeakPolarHBondContact O-CB 3.16Å; F275-K279 WeakPolarHBondContact O-CG 3.48Å; F275-K279 PolarHBondContact O-N 3.18Å; E277-K279 PolarHBondContact O-N 3.31Å; K279-L281 VanDerWaalsContact C-N 3.28Å; K279-L281 HydrophobicContact CB-CD1 3.73Å; K279-L281 HydrophobicContact CB-CG 3.79Å; K279-L281 PolarHBondContact O-N 3.39Å; K279-E324 HydrophobicContact CD-CB 4.3Å; K279-E324 HydrophobicContact CD-CG 4.39Å; K279-E324 WeakPolarHBondContact CD-OE2 3.2Å; K279-E324 WeakPolarHBondContact CE-OE2 3.32Å; K279-E324 HydrophobicContact CG-CB 4.33Å; K279-E324 IonicContact NZ-OE2 3.89Å; K279-E324 PolarHBondContact NZ-OE2 2.91Å; K279-D325 WeakPolarHBondContact CE-O 3.27Å |
| 280 | K | 96.8 | Very high | 97.4 | Very high | 192 Ų | 192 | 68.4 Ų | 68.4 | 84% | 0.835 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 43.8 | -177.3 | -54.3 | 178.9 | -178.6 | 178.9 | 0 | 112.4 | C276 E277 | C276-K280 CarbonylContact O-C 3.49Å; C276-K280 WeakPolarHBondContact O-CA 3.35Å; C276-K280 PolarHBondContact O-N 2.89Å; E277-K280 PolarHBondContact O-N 3.27Å |
| 281 | L | 96.3 | Very high | 97.3 | Very high | 47 Ų | 47 | 70.4 Ų | 70.4 | 25% | 0.246 | 33% | 0.332 | C | S | . | . | trans | -98.9 | 149.9 | -179.3 | -65.9 | 170.6 | 0 | 0 | 0 | 111.2 | F275 C276 K279 K283 V286 F321 | F275-L281 HydrophobicContact CD1-CD1 4.2Å; F275-L281 HydrophobicContact CE1-CD1 3.41Å; F275-L281 VanDerWaalsContact CE1-CD1 3.41Å; F275-L281 HydrophobicContact CZ-CD1 3.64Å; C276-L281 WeakPolarHBondContact CB-O 3.36Å; C276-L281 PolarHBondContact O-N 2.86Å; K279-L281 VanDerWaalsContact C-N 3.28Å; K279-L281 HydrophobicContact CB-CD1 3.73Å; K279-L281 HydrophobicContact CB-CG 3.79Å; K279-L281 PolarHBondContact O-N 3.39Å; L281-K283 PolarHBondContact O-N 3.06Å; L281-V286 HydrophobicContact CB-CG2 4.25Å; L281-V286 HydrophobicContact CD1-CG2 4.33Å; L281-F321 HydrophobicContact CD1-CD1 4.07Å | ||
| 282 | D | 96.6 | Very high | 97.3 | Very high | 86 Ų | 86 | 70.4 Ų | 70.4 | 46% | 0.46 | 33% | 0.332 | S | S | . | . | trans | -68.2 | 119.4 | 169.6 | -178.3 | -11.5 | 0 | 0 | 0 | 110.3 | D284 L285 V286 | D282-D284 VanDerWaalsContact C-N 3.28Å; D282-D284 PolarHBondContact O-N 2.89Å; D282-D284 PolarHBondContact OD1-N 3.39Å; D282-L285 HydrophobicContact CB-CB 4.14Å; D282-L285 HydrophobicContact CB-CD1 3.84Å; D282-L285 HydrophobicContact CB-CG 3.87Å; D282-L285 PolarHBondContact O-N 2.82Å; D282-V286 PolarHBondContact O-N 3.24Å | ||
| 283 | K | 97.6 | Very high | 97.3 | Very high | 71 Ų | 71 | 71.4 Ų | 71.4 | 31% | 0.309 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -57.8 | -39.8 | 179.9 | -168.5 | -174.5 | -63.5 | -175.9 | 0 | 112 | L272 E273 L281 V286 K287 | L272-K283 HydrophobicContact CD1-CG 4.49Å; L272-K283 HydrophobicContact CD2-CD 4.38Å; L272-K283 HydrophobicContact CD2-CG 3.87Å; L272-K283 HydrophobicContact CG-CG 4.04Å; E273-K283 VanDerWaalsContact CG-NZ 3.34Å; E273-K283 IonicContact OE1-NZ 2.71Å; E273-K283 PolarHBondContact OE1-NZ 3.43Å; L281-K283 PolarHBondContact O-N 3.06Å; K283-V286 PolarHBondContact O-N 2.91Å; K283-K287 HydrophobicContact CG-CD 4.5Å; K283-K287 WeakPolarHBondContact O-CG 3.47Å; K283-K287 PolarHBondContact O-N 2.89Å |
| 284 | D | 96.9 | Very high | 97.2 | Very high | 96 Ų | 96 | 67.4 Ų | 67.4 | 51% | 0.513 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -74.3 | -29.8 | -175.7 | -68.4 | -28.5 | 0 | 0 | 0 | 111.9 | D282 K288 | D282-D284 VanDerWaalsContact C-N 3.28Å; D282-D284 PolarHBondContact O-N 2.89Å; D282-D284 PolarHBondContact OD1-N 3.39Å; D284-K288 WeakPolarHBondContact O-CG 3.42Å; D284-K288 PolarHBondContact O-N 3.22Å |
| 285 | L | 97.1 | Very high | 97.2 | Very high | 95 Ų | 95 | 67.4 Ų | 67.4 | 50% | 0.497 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.5 | -43.6 | 170.7 | -67.6 | -178.1 | 0 | 0 | 0 | 111.7 | D282 K288 | D282-L285 HydrophobicContact CB-CB 4.14Å; D282-L285 HydrophobicContact CB-CD1 3.84Å; D282-L285 HydrophobicContact CB-CG 3.87Å; D282-L285 PolarHBondContact O-N 2.82Å; L285-K288 PolarHBondContact O-N 3.01Å |
| 286 | V | 97.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.7 | -40.2 | 178.6 | -177.6 | 0 | 0 | 0 | 0 | 110.9 | L272 F275 L281 D282 K283 K288 S289 A292 F321 | L272-V286 HydrophobicContact CD1-CB 3.81Å; L272-V286 HydrophobicContact CD1-CG1 3.48Å; L272-V286 VanDerWaalsContact CD1-CG1 3.48Å; F275-V286 HydrophobicContact CD1-CG1 4.48Å; F275-V286 HydrophobicContact CE1-CG1 4.42Å; F275-V286 HydrophobicContact CE1-CG2 4.36Å; L281-V286 HydrophobicContact CB-CG2 4.25Å; L281-V286 HydrophobicContact CD1-CG2 4.33Å; D282-V286 PolarHBondContact O-N 3.24Å; K283-V286 PolarHBondContact O-N 2.91Å; V286-K288 VanDerWaalsContact C-N 3.25Å; V286-K288 PolarHBondContact O-N 3.39Å; V286-S289 WeakPolarHBondContact O-CB 3.45Å; V286-S289 PolarHBondContact O-N 3.05Å; V286-A292 HydrophobicContact CG1-CB 4.17Å; V286-F321 HydrophobicContact CG1-CD2 4.41Å; V286-F321 HydrophobicContact CG1-CG 4.43Å; V286-F321 HydrophobicContact CG2-CD1 3.85Å; V286-F321 HydrophobicContact CG2-CD2 4.4Å; V286-F321 HydrophobicContact CG2-CE1 4.02Å; V286-F321 HydrophobicContact CG2-CG 4.04Å; V286-F321 HydrophobicContact CG2-CZ 4.39Å |
| 287 | K | 96.5 | Very high | 97.2 | Very high | 98 Ų | 98 | 67.8 Ų | 67.8 | 43% | 0.426 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -58.1 | -33.8 | 176.5 | -77.5 | 178.9 | 175.4 | 178.8 | 0 | 113.8 | L272 K283 S289 M293 | L272-K287 HydrophobicContact CD2-CD 4.2Å; L272-K287 HydrophobicContact CD2-CG 3.59Å; K283-K287 HydrophobicContact CG-CD 4.5Å; K283-K287 WeakPolarHBondContact O-CG 3.47Å; K283-K287 PolarHBondContact O-N 2.89Å; K287-S289 PolarHBondContact O-N 3.37Å; K287-M293 HydrophobicContact CG-SD 4.38Å; K287-M293 WeakPolarHBondContact O-CG 3.17Å |
| 288 | K | 96.1 | Very high | 97.1 | Very high | 156 Ų | 156 | 63.5 Ų | 63.5 | 68% | 0.678 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -15.7 | 176.5 | -71.6 | 172.5 | -176.4 | 176.7 | 0 | 113.1 | D284 L285 V286 H290 | D284-K288 WeakPolarHBondContact O-CG 3.42Å; D284-K288 PolarHBondContact O-N 3.22Å; L285-K288 PolarHBondContact O-N 3.01Å; V286-K288 VanDerWaalsContact C-N 3.25Å; V286-K288 PolarHBondContact O-N 3.39Å; K288-H290 PolarHBondContact O-N 2.93Å |
| 289 | S | 97.1 | Very high | 97.2 | Very high | 28 Ų | 28 | 59.8 Ų | 59.8 | 20% | 0.196 | 29% | 0.286 | C | S | . | . | trans | -85 | 98 | 175.3 | -179.1 | 0 | 0 | 0 | 0 | 111.1 | V286 K287 R291 A292 M293 | V286-S289 WeakPolarHBondContact O-CB 3.45Å; V286-S289 PolarHBondContact O-N 3.05Å; K287-S289 PolarHBondContact O-N 3.37Å; S289-R291 PolarHBondContact O-N 2.8Å; S289-A292 PolarHBondContact O-N 3.38Å; S289-A292 VanDerWaalsContact O-N 3.08Å; S289-A292 WeakPolarHBondContact OG-CB 3.46Å; S289-A292 PolarHBondContact OG-N 2.75Å; S289-M293 WeakPolarHBondContact O-CG 3.49Å; S289-M293 PolarHBondContact O-N 3.19Å | ||
| 290 | H | 95.8 | Very high | 97.3 | Very high | 73 Ų | 73 | 56.4 Ų | 56.4 | 34% | 0.338 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -55 | -36.7 | 175.8 | -59.5 | -51.1 | 0 | 0 | 0 | 112.7 | P78 Y107 K288 S294 | P78-H290 HydrophobicContact CG-CB 3.91Å; Y107-H290 HydrophobicContact CD1-CB 3.78Å; Y107-H290 AromaticContact CD1-CG 3.83Å; Y107-H290 AromaticContact CD1-ND1 3.73Å; Y107-H290 HydrophobicContact CG-CB 4.32Å; K288-H290 PolarHBondContact O-N 2.93Å; H290-S294 VanDerWaalsContact O-CB 3.25Å; H290-S294 WeakPolarHBondContact O-CB 3.15Å; H290-S294 PolarHBondContact O-N 3Å; H290-S294 PolarHBondContact O-OG 3.48Å |
| 291 | R | 96.6 | Very high | 97.3 | Very high | 70 Ų | 70 | 48.8 Ų | 48.8 | 26% | 0.264 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.7 | -49.9 | 174.9 | -170 | -170.6 | 69.9 | 89.5 | 2.7 | 111.7 | S75 S289 S294 K295 N319 L320 | S75-R291 WeakPolarHBondContact O-CG 3.36Å; S289-R291 PolarHBondContact O-N 2.8Å; R291-S294 PolarHBondContact O-N 2.89Å; R291-K295 VanDerWaalsContact NH1-CE 3.33Å; R291-K295 VanDerWaalsContact NH1-NZ 3.18Å; R291-K295 WeakPolarHBondContact O-CG 3.35Å; R291-K295 PolarHBondContact O-N 3.07Å; R291-N319 PolarHBondContact NH1-O 3.45Å; R291-N319 PolarHBondContact NH2-O 2.83Å; R291-N319 VanDerWaalsContact NH2-O 3.13Å; R291-L320 PolarHBondContact NH2-O 3.25Å |
| 292 | A | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.1 | -45.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | V286 S289 S294 K295 L296 L320 F321 | V286-A292 HydrophobicContact CG1-CB 4.17Å; S289-A292 PolarHBondContact O-N 3.38Å; S289-A292 VanDerWaalsContact O-N 3.08Å; S289-A292 WeakPolarHBondContact OG-CB 3.46Å; S289-A292 PolarHBondContact OG-N 2.75Å; A292-S294 VanDerWaalsContact C-N 3.31Å; A292-S294 PolarHBondContact O-N 3.22Å; A292-K295 PolarHBondContact O-N 3.4Å; A292-L296 WeakPolarHBondContact O-CG 3.34Å; A292-L296 PolarHBondContact O-N 3.36Å; A292-L320 HydrophobicContact CB-CD1 3.94Å; A292-L320 WeakPolarHBondContact CB-O 3.49Å; A292-L320 WeakPolarHBondContact O-CD1 3.11Å; A292-F321 HydrophobicContact CB-CB 4.45Å; A292-F321 HydrophobicContact CB-CD2 4.19Å |
| 293 | M | 97.9 | Very high | 97.5 | Very high | 21 Ų | 21 | 44.9 Ų | 44.9 | 10% | 0.103 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.4 | -34.6 | 178.9 | -65.4 | -51.8 | -62.6 | 0 | 0 | 112.8 | R268 L272 K287 S289 L296 A297 | R268-M293 HydrophobicContact CG-CE 4.21Å; L272-M293 HydrophobicContact CD1-SD 4.36Å; L272-M293 HydrophobicContact CD2-CE 4.19Å; L272-M293 HydrophobicContact CD2-SD 4.22Å; K287-M293 HydrophobicContact CG-SD 4.38Å; K287-M293 WeakPolarHBondContact O-CG 3.17Å; S289-M293 WeakPolarHBondContact O-CG 3.49Å; S289-M293 PolarHBondContact O-N 3.19Å; M293-L296 HydrophobicContact SD-CD1 4.1Å; M293-A297 WeakPolarHBondContact O-CB 3.47Å; M293-A297 PolarHBondContact O-N 3.28Å |
| 294 | S | 97.4 | Very high | 97.5 | Very high | 10 Ų | 10 | 41.8 Ų | 41.8 | 7% | 0.07 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.6 | -41.7 | 175.7 | -59.5 | 0 | 0 | 0 | 0 | 111.8 | A74 P78 H290 R291 A292 L296 A297 L298 | A74-S294 WeakPolarHBondContact O-CB 3.45Å; P78-S294 WeakPolarHBondContact CB-OG 3.17Å; H290-S294 VanDerWaalsContact O-CB 3.25Å; H290-S294 WeakPolarHBondContact O-CB 3.15Å; H290-S294 PolarHBondContact O-N 3Å; H290-S294 PolarHBondContact O-OG 3.48Å; R291-S294 PolarHBondContact O-N 2.89Å; A292-S294 VanDerWaalsContact C-N 3.31Å; A292-S294 PolarHBondContact O-N 3.22Å; S294-L296 VanDerWaalsContact C-N 3.34Å; S294-L296 PolarHBondContact O-N 3.16Å; S294-A297 PolarHBondContact O-N 3.16Å; S294-L298 WeakPolarHBondContact O-CG 3.33Å; S294-L298 PolarHBondContact O-N 3.32Å |
| 295 | K | 98.1 | Very high | 97.6 | Very high | 37 Ų | 37 | 41.6 Ų | 41.6 | 16% | 0.161 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.1 | -44.2 | 171.9 | -77.4 | -174.6 | 163.5 | -162.3 | 0 | 112.3 | R291 A292 A297 L298 E299 V317 E318 N319 L320 | R291-K295 VanDerWaalsContact NH1-CE 3.33Å; R291-K295 VanDerWaalsContact NH1-NZ 3.18Å; R291-K295 WeakPolarHBondContact O-CG 3.35Å; R291-K295 PolarHBondContact O-N 3.07Å; A292-K295 PolarHBondContact O-N 3.4Å; K295-A297 VanDerWaalsContact C-N 3.32Å; K295-A297 PolarHBondContact O-N 3.18Å; K295-L298 PolarHBondContact O-N 2.89Å; K295-E299 PolarHBondContact O-N 3.01Å; K295-V317 HydrophobicContact CB-CG1 3.9Å; K295-V317 HydrophobicContact CD-CG1 3.84Å; K295-V317 HydrophobicContact CG-CG1 4.37Å; K295-E318 PolarHBondContact NZ-O 3.48Å; K295-N319 PolarHBondContact NZ-O 3.35Å; K295-L320 HydrophobicContact CB-CD1 3.99Å; K295-L320 HydrophobicContact CD-CD1 4.5Å |
| 296 | L | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.5 | -38.3 | 175.9 | -74.9 | 173.3 | 0 | 0 | 0 | 112.3 | R268 L271 L272 A292 M293 S294 E299 A300 L320 L326 | R268-L296 HydrophobicContact CG-CB 3.64Å; L271-L296 HydrophobicContact CB-CD2 3.86Å; L272-L296 HydrophobicContact CB-CD1 3.92Å; L272-L296 HydrophobicContact CD1-CD1 4.2Å; A292-L296 WeakPolarHBondContact O-CG 3.34Å; A292-L296 PolarHBondContact O-N 3.36Å; M293-L296 HydrophobicContact SD-CD1 4.1Å; S294-L296 VanDerWaalsContact C-N 3.34Å; S294-L296 PolarHBondContact O-N 3.16Å; L296-E299 PolarHBondContact O-N 2.99Å; L296-A300 WeakPolarHBondContact O-CB 3.45Å; L296-A300 PolarHBondContact O-N 3.19Å; L296-L320 HydrophobicContact CD1-CD1 4.43Å; L296-L320 HydrophobicContact CD1-CD2 4.37Å; L296-L320 HydrophobicContact CD2-CD1 4.18Å; L296-L320 HydrophobicContact CD2-CD2 3.65Å; L296-L320 HydrophobicContact CG-CD1 3.79Å; L296-L320 HydrophobicContact CG-CD2 4.02Å; L296-L326 HydrophobicContact CD2-CD2 3.56Å |
| 297 | A | 97.7 | Very high | 97.7 | Very high | 20 Ų | 20 | 41 Ų | 41 | 17% | 0.165 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.8 | -41.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | R268 M293 S294 K295 A300 S301 | R268-A297 HydrophobicContact CG-CB 4.45Å; M293-A297 WeakPolarHBondContact O-CB 3.47Å; M293-A297 PolarHBondContact O-N 3.28Å; S294-A297 PolarHBondContact O-N 3.16Å; K295-A297 VanDerWaalsContact C-N 3.32Å; K295-A297 PolarHBondContact O-N 3.18Å; A297-A300 PolarHBondContact O-N 3.39Å; A297-S301 PolarHBondContact O-N 3.06Å |
| 298 | L | 96.9 | Very high | 97.8 | Very high | 61 Ų | 61 | 37.4 Ų | 37.4 | 32% | 0.319 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61.2 | -45.8 | 174.3 | -69.3 | 172.9 | 0 | 0 | 0 | 111.3 | V71 S294 K295 S301 N302 | V71-L298 HydrophobicContact CG1-CD2 3.73Å; S294-L298 WeakPolarHBondContact O-CG 3.33Å; S294-L298 PolarHBondContact O-N 3.32Å; K295-L298 PolarHBondContact O-N 2.89Å; L298-S301 WeakPolarHBondContact O-CB 3.23Å; L298-S301 PolarHBondContact O-N 3.01Å; L298-N302 PolarHBondContact O-N 2.85Å |
| 299 | E | 98.5 | Very high | 97.8 | Very high | 24 Ų | 24 | 33.7 Ų | 33.7 | 11% | 0.112 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69 | -34.6 | 177.6 | -179.5 | 59.2 | -177.5 | 0 | 0 | 112.3 | L271 K295 L296 S301 N302 V303 A315 Q316 V317 | L271-E299 HydrophobicContact CD1-CG 4.36Å; K295-E299 PolarHBondContact O-N 3.01Å; L296-E299 PolarHBondContact O-N 2.99Å; E299-S301 VanDerWaalsContact C-N 3.3Å; E299-S301 PolarHBondContact O-N 3.18Å; E299-N302 WeakPolarHBondContact O-CB 3.34Å; E299-N302 PolarHBondContact O-N 3.46Å; E299-N302 PolarHBondContact OE2-ND2 2.77Å; E299-V303 HydrophobicContact CG-CG2 4.32Å; E299-V303 WeakPolarHBondContact O-CB 3.28Å; E299-V303 VanDerWaalsContact O-CG2 3.27Å; E299-V303 WeakPolarHBondContact O-CG2 3.37Å; E299-V303 PolarHBondContact O-N 2.89Å; E299-A315 HydrophobicContact CG-CB 4.12Å; E299-A315 WeakPolarHBondContact OE1-CA 3.33Å; E299-Q316 PolarHBondContact OE1-N 3.26Å; E299-V317 HydrophobicContact CB-CG2 3.59Å; E299-V317 HydrophobicContact CG-CG2 3.75Å |
| 300 | A | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62 | -37.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I264 I267 R268 L271 L296 A297 V303 L304 | I264-A300 HydrophobicContact CG2-CB 3.87Å; I264-A300 VanDerWaalsContact O-CB 3.29Å; I264-A300 WeakPolarHBondContact O-CB 3.37Å; I267-A300 HydrophobicContact CB-CB 3.92Å; I267-A300 HydrophobicContact CG2-CB 3.66Å; R268-A300 HydrophobicContact CB-CB 3.98Å; L271-A300 HydrophobicContact CD1-CB 4.18Å; L296-A300 WeakPolarHBondContact O-CB 3.45Å; L296-A300 PolarHBondContact O-N 3.19Å; A297-A300 PolarHBondContact O-N 3.39Å; A300-V303 PolarHBondContact O-N 3.07Å; A300-L304 WeakPolarHBondContact O-CB 3.28Å; A300-L304 PolarHBondContact O-N 2.92Å |
| 301 | S | 97.7 | Very high | 98 | Very high | 32 Ų | 32 | 36.8 Ų | 36.8 | 22% | 0.224 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.4 | -43 | 172.5 | -175.3 | 0 | 0 | 0 | 0 | 112.1 | A297 L298 E299 L304 T305 | A297-S301 PolarHBondContact O-N 3.06Å; L298-S301 WeakPolarHBondContact O-CB 3.23Å; L298-S301 PolarHBondContact O-N 3.01Å; E299-S301 VanDerWaalsContact C-N 3.3Å; E299-S301 PolarHBondContact O-N 3.18Å; S301-L304 PolarHBondContact O-N 3.42Å; S301-T305 WeakPolarHBondContact O-CB 3.26Å; S301-T305 PolarHBondContact O-N 2.75Å; S301-T305 PolarHBondContact O-OG1 3.29Å |
| 302 | N | 97.9 | Very high | 98.1 | Very high | 51 Ų | 51 | 37.6 Ų | 37.6 | 27% | 0.273 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.3 | -45 | 174 | -178 | 43.8 | 0 | 0 | 0 | 111.8 | L298 E299 T305 K306 | L298-N302 PolarHBondContact O-N 2.85Å; E299-N302 WeakPolarHBondContact O-CB 3.34Å; E299-N302 PolarHBondContact O-N 3.46Å; E299-N302 PolarHBondContact OE2-ND2 2.77Å; N302-T305 PolarHBondContact O-N 3.2Å; N302-K306 PolarHBondContact ND2-NZ 3.27Å; N302-K306 VanDerWaalsContact ND2-NZ 3.18Å; N302-K306 WeakPolarHBondContact O-CB 3.35Å; N302-K306 WeakPolarHBondContact O-CG 3.39Å; N302-K306 PolarHBondContact O-N 3.46Å; N302-K306 WeakPolarHBondContact OD1-CE 3.37Å; N302-K306 PolarHBondContact OD1-NZ 2.92Å |
| 303 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61 | -49.5 | 176.6 | 168.9 | 0 | 0 | 0 | 0 | 110.9 | I267 E299 A300 T305 K306 L307 I313 A315 I330 | I267-V303 HydrophobicContact CG2-CB 4.05Å; I267-V303 HydrophobicContact CG2-CG1 3.8Å; E299-V303 HydrophobicContact CG-CG2 4.32Å; E299-V303 WeakPolarHBondContact O-CB 3.28Å; E299-V303 VanDerWaalsContact O-CG2 3.27Å; E299-V303 WeakPolarHBondContact O-CG2 3.37Å; E299-V303 PolarHBondContact O-N 2.89Å; A300-V303 PolarHBondContact O-N 3.07Å; V303-T305 VanDerWaalsContact C-N 3.32Å; V303-T305 PolarHBondContact O-N 3.29Å; V303-K306 PolarHBondContact O-N 3.46Å; V303-L307 HydrophobicContact CG1-CD1 3.59Å; V303-L307 HydrophobicContact CG1-CG 4.07Å; V303-L307 WeakPolarHBondContact O-CB 3.18Å; V303-L307 VanDerWaalsContact O-CG 3.3Å; V303-L307 WeakPolarHBondContact O-CG 3.45Å; V303-L307 PolarHBondContact O-N 2.92Å; V303-I313 HydrophobicContact CG1-CG2 4.1Å; V303-I313 HydrophobicContact CG2-CG2 4.31Å; V303-A315 HydrophobicContact CG2-CB 3.62Å; V303-I330 HydrophobicContact CG1-CD1 4.28Å; V303-I330 HydrophobicContact CG1-CG2 4.39Å |
| 304 | L | 98.7 | Very high | 98.2 | Very high | 6 Ų | 6 | 42.7 Ų | 42.7 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.3 | -47.7 | 178 | -179.7 | 63.9 | 0 | 0 | 0 | 111.6 | T260 F263 I264 I267 A300 S301 K306 L307 S308 M335 I374 | T260-L304 HydrophobicContact CG2-CD2 4.4Å; F263-L304 HydrophobicContact CB-CD1 3.96Å; F263-L304 HydrophobicContact CB-CD2 4Å; I264-L304 HydrophobicContact CD1-CD2 4.4Å; I264-L304 HydrophobicContact CG1-CD2 3.77Å; I267-L304 HydrophobicContact CD1-CB 3.73Å; I267-L304 HydrophobicContact CD1-CD1 3.94Å; I267-L304 HydrophobicContact CD1-CG 4.38Å; A300-L304 WeakPolarHBondContact O-CB 3.28Å; A300-L304 PolarHBondContact O-N 2.92Å; S301-L304 PolarHBondContact O-N 3.42Å; L304-K306 PolarHBondContact O-N 2.97Å; L304-L307 PolarHBondContact O-N 3.07Å; L304-S308 PolarHBondContact O-N 2.92Å; L304-S308 PolarHBondContact O-OG 3.3Å; L304-M335 HydrophobicContact CD1-SD 3.74Å; L304-I374 HydrophobicContact CD1-CD1 3.94Å; L304-I374 HydrophobicContact CD1-CG1 4.28Å |
| 305 | T | 98.1 | Very high | 98.2 | Very high | 91 Ų | 91 | 42.2 Ų | 42.2 | 56% | 0.558 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -60.3 | -47.5 | 180 | -60.3 | 0 | 0 | 0 | 0 | 110.9 | S301 N302 V303 S308 | S301-T305 WeakPolarHBondContact O-CB 3.26Å; S301-T305 PolarHBondContact O-N 2.75Å; S301-T305 PolarHBondContact O-OG1 3.29Å; N302-T305 PolarHBondContact O-N 3.2Å; V303-T305 VanDerWaalsContact C-N 3.32Å; V303-T305 PolarHBondContact O-N 3.29Å; T305-S308 WeakPolarHBondContact O-CB 3.45Å; T305-S308 PolarHBondContact O-N 3.13Å |
| 306 | K | 98.5 | Very high | 98.2 | Very high | 84 Ų | 84 | 45.4 Ų | 45.4 | 37% | 0.365 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -74.5 | -33.5 | -177.2 | -69.8 | 177.8 | -179.3 | 161.8 | 0 | 112.9 | N302 V303 L304 S308 A309 N310 I313 | N302-K306 PolarHBondContact ND2-NZ 3.27Å; N302-K306 VanDerWaalsContact ND2-NZ 3.18Å; N302-K306 WeakPolarHBondContact O-CB 3.35Å; N302-K306 WeakPolarHBondContact O-CG 3.39Å; N302-K306 PolarHBondContact O-N 3.46Å; N302-K306 WeakPolarHBondContact OD1-CE 3.37Å; N302-K306 PolarHBondContact OD1-NZ 2.92Å; V303-K306 PolarHBondContact O-N 3.46Å; L304-K306 PolarHBondContact O-N 2.97Å; K306-S308 VanDerWaalsContact C-N 3.26Å; K306-S308 PolarHBondContact O-N 2.96Å; K306-A309 PolarHBondContact O-N 2.96Å; K306-N310 WeakPolarHBondContact O-CB 3.39Å; K306-N310 PolarHBondContact O-N 2.86Å; K306-N310 PolarHBondContact O-ND2 3.39Å; K306-I313 HydrophobicContact CB-CD1 3.55Å; K306-I313 HydrophobicContact CD-CD1 3.02Å; K306-I313 HydrophobicContact CG-CD1 3.91Å |
| 307 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.7 | -23.9 | 172.6 | -72.2 | 180 | 0 | 0 | 0 | 112.7 | V303 L304 A309 N310 I313 I330 R332 M335 | V303-L307 HydrophobicContact CG1-CD1 3.59Å; V303-L307 HydrophobicContact CG1-CG 4.07Å; V303-L307 WeakPolarHBondContact O-CB 3.18Å; V303-L307 VanDerWaalsContact O-CG 3.3Å; V303-L307 WeakPolarHBondContact O-CG 3.45Å; V303-L307 PolarHBondContact O-N 2.92Å; L304-L307 PolarHBondContact O-N 3.07Å; L307-A309 PolarHBondContact O-N 3.43Å; L307-N310 CarbonylContact C-O 3.49Å; L307-N310 WeakPolarHBondContact CA-O 3.35Å; L307-I313 HydrophobicContact CD2-CG2 3.9Å; L307-I313 HydrophobicContact CG-CG2 4.03Å; L307-I330 HydrophobicContact CD1-CG2 3.85Å; L307-R332 HydrophobicContact CD2-CB 4.34Å; L307-R332 PolarHBondContact O-NE 3.3Å; L307-R332 PolarHBondContact O-NH2 2.9Å; L307-M335 HydrophobicContact CB-SD 4.49Å; L307-M335 HydrophobicContact CD1-CB 4.09Å; L307-M335 HydrophobicContact CD1-SD 4.02Å |
| 308 | S | 97.6 | Very high | 98.2 | Very high | 22 Ų | 22 | 52.6 Ų | 52.6 | 15% | 0.154 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.7 | -25.6 | 172.5 | -60.3 | 0 | 0 | 0 | 0 | 112.4 | L304 T305 K306 | L304-S308 PolarHBondContact O-N 2.92Å; L304-S308 PolarHBondContact O-OG 3.3Å; T305-S308 WeakPolarHBondContact O-CB 3.45Å; T305-S308 PolarHBondContact O-N 3.13Å; K306-S308 VanDerWaalsContact C-N 3.26Å; K306-S308 PolarHBondContact O-N 2.96Å |
| 309 | A | 97.4 | Very high | 98.2 | Very high | 78 Ų | 78 | 53.4 Ų | 53.4 | 65% | 0.645 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -102.4 | -33.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | K306 L307 R332 | K306-A309 PolarHBondContact O-N 2.96Å; L307-A309 PolarHBondContact O-N 3.43Å; A309-R332 VanDerWaalsContact C-NH2 3.29Å; A309-R332 PolarHBondContact O-NH2 3.39Å |
| 310 | N | 98.5 | Very high | 98.2 | Very high | 86 Ų | 86 | 52.3 Ų | 52.3 | 46% | 0.46 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -117.7 | 154.5 | -171.7 | -55.1 | -79 | 0 | 0 | 0 | 112.1 | K306 L307 E312 R332 | K306-N310 WeakPolarHBondContact O-CB 3.39Å; K306-N310 PolarHBondContact O-N 2.86Å; K306-N310 PolarHBondContact O-ND2 3.39Å; L307-N310 CarbonylContact C-O 3.49Å; L307-N310 WeakPolarHBondContact CA-O 3.35Å; N310-E312 VanDerWaalsContact C-N 3.32Å; N310-R332 PolarHBondContact O-NE 2.89Å; N310-R332 PolarHBondContact O-NH2 2.92Å |
| 311 | S | 98.4 | Very high | 98.1 | Very high | 80 Ų | 80 | 53.6 Ų | 53.6 | 56% | 0.559 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -73.3 | -23 | 177.8 | 50.7 | 0 | 0 | 0 | 0 | 113.5 | T331 R332 | S311-T331 CarbonylContact O-C 3.58Å; S311-T331 WeakPolarHBondContact O-CA 3.5Å; S311-R332 PolarHBondContact O-N 2.8Å |
| 312 | E | 98.4 | Very high | 98 | Very high | 86 Ų | 86 | 58.1 Ų | 58.1 | 40% | 0.402 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 161.8 | -177.8 | 62.3 | -179.3 | -125.4 | 0 | 0 | 112.5 | N310 K329 I330 T331 | N310-E312 VanDerWaalsContact C-N 3.32Å; E312-K329 VanDerWaalsContact OE1-CE 3.29Å; E312-K329 WeakPolarHBondContact OE1-CE 3.45Å; E312-K329 IonicContact OE1-NZ 2.63Å; E312-K329 PolarHBondContact OE1-NZ 2.8Å; E312-K329 WeakPolarHBondContact OE2-CE 3.4Å; E312-K329 IonicContact OE2-NZ 3.97Å; E312-K329 PolarHBondContact OE2-NZ 2.66Å; E312-I330 WeakPolarHBondContact CA-O 3.34Å; E312-T331 HydrophobicContact CB-CG2 4.1Å |
| 313 | I | 98.5 | Very high | 97.9 | Very high | 25 Ų | 25 | 58.1 Ų | 58.1 | 13% | 0.128 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 156 | 172.9 | -174.2 | 154.2 | 0 | 0 | 0 | 111.8 | V303 K306 L307 K329 I330 | V303-I313 HydrophobicContact CG1-CG2 4.1Å; V303-I313 HydrophobicContact CG2-CG2 4.31Å; K306-I313 HydrophobicContact CB-CD1 3.55Å; K306-I313 HydrophobicContact CD-CD1 3.02Å; K306-I313 HydrophobicContact CG-CD1 3.91Å; L307-I313 HydrophobicContact CD2-CG2 3.9Å; L307-I313 HydrophobicContact CG-CG2 4.03Å; I313-K329 WeakPolarHBondContact O-CA 3.41Å; I313-I330 PolarHBondContact N-O 2.82Å; I313-I330 PolarHBondContact O-N 3.42Å |
| 314 | F | 98.5 | Very high | 97.8 | Very high | 104 Ų | 104 | 61.9 Ų | 61.9 | 46% | 0.456 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 111.8 | 162 | -71.3 | -91.2 | 0 | 0 | 0 | 110.5 | Q316 K327 V328 K329 | F314-Q316 HydrophobicContact CB-CG 4.47Å; F314-K327 HydrophobicContact CD1-CG 4.49Å; F314-V328 CarbonylContact C-O 3.4Å; F314-V328 VanDerWaalsContact CA-O 3.28Å; F314-V328 WeakPolarHBondContact CA-O 2.98Å; F314-K329 HydrophobicContact CD1-CB 4.04Å; F314-K329 HydrophobicContact CE1-CB 3.76Å; F314-K329 HydrophobicContact CE1-CG 4.45Å; F314-K329 HydrophobicContact CZ-CB 4.17Å; F314-K329 HydrophobicContact CZ-CD 4.15Å; F314-K329 HydrophobicContact CZ-CG 4.4Å |
| 315 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 132.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | L271 E299 V303 K327 V328 I330 | L271-A315 HydrophobicContact CD1-CB 4.48Å; L271-A315 HydrophobicContact CD2-CB 3.39Å; E299-A315 HydrophobicContact CG-CB 4.12Å; E299-A315 WeakPolarHBondContact OE1-CA 3.33Å; V303-A315 HydrophobicContact CG2-CB 3.62Å; A315-K327 VanDerWaalsContact O-CA 3.29Å; A315-K327 WeakPolarHBondContact O-CA 3.42Å; A315-V328 HydrophobicContact CB-CG2 4.01Å; A315-V328 PolarHBondContact N-O 3.02Å; A315-V328 PolarHBondContact O-N 3.1Å; A315-I330 HydrophobicContact CB-CD1 4.38Å |
| 316 | Q | 98.4 | Very high | 97.8 | Very high | 103 Ų | 103 | 61.3 Ų | 61.3 | 48% | 0.481 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 128.8 | -173 | -67 | 179.2 | 12.7 | 0 | 0 | 112.2 | E299 F314 L326 K327 | E299-Q316 PolarHBondContact OE1-N 3.26Å; F314-Q316 HydrophobicContact CB-CG 4.47Å; Q316-L326 CarbonylContact C-O 3.48Å; Q316-L326 VanDerWaalsContact CA-O 3.26Å; Q316-L326 WeakPolarHBondContact CA-O 3.36Å; Q316-K327 HydrophobicContact CG-CB 4.32Å; Q316-K327 HydrophobicContact CG-CD 4.41Å; Q316-K327 HydrophobicContact CG-CG 3.97Å |
| 317 | V | 98.2 | Very high | 97.8 | Very high | 15 Ų | 15 | 64 Ų | 64 | 9% | 0.091 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 117.9 | 175.4 | -175.8 | 0 | 0 | 0 | 0 | 110 | K295 E299 L320 D325 L326 | K295-V317 HydrophobicContact CB-CG1 3.9Å; K295-V317 HydrophobicContact CD-CG1 3.84Å; K295-V317 HydrophobicContact CG-CG1 4.37Å; E299-V317 HydrophobicContact CB-CG2 3.59Å; E299-V317 HydrophobicContact CG-CG2 3.75Å; V317-L320 HydrophobicContact CB-CB 4.32Å; V317-L320 HydrophobicContact CG1-CB 3.98Å; V317-L320 HydrophobicContact CG1-CD1 4.04Å; V317-D325 CarbonylContact O-C 3.46Å; V317-D325 WeakPolarHBondContact O-CA 3.36Å; V317-L326 HydrophobicContact CB-CB 4.08Å; V317-L326 HydrophobicContact CG2-CD2 4.22Å; V317-L326 PolarHBondContact N-O 3Å; V317-L326 PolarHBondContact O-N 2.78Å |
| 318 | E | 97.5 | Very high | 97.8 | Very high | 157 Ų | 157 | 64.4 Ų | 64.4 | 73% | 0.734 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 142.4 | 174.7 | -63.4 | 177.5 | 179.2 | 0 | 0 | 111.8 | K295 L320 D325 | K295-E318 PolarHBondContact NZ-O 3.48Å; E318-L320 VanDerWaalsContact C-N 3.26Å; E318-L320 PolarHBondContact O-N 3.2Å; E318-D325 WeakPolarHBondContact CA-OD1 3.39Å |
| 319 | N | 96.7 | Very high | 97.8 | Very high | 78 Ų | 78 | 67.4 Ų | 67.4 | 42% | 0.417 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 39.2 | 58.1 | -179.3 | -176.1 | 8.4 | 0 | 0 | 0 | 111 | R291 K295 G323 D325 | R291-N319 PolarHBondContact NH1-O 3.45Å; R291-N319 PolarHBondContact NH2-O 2.83Å; R291-N319 VanDerWaalsContact NH2-O 3.13Å; K295-N319 PolarHBondContact NZ-O 3.35Å; N319-G323 WeakPolarHBondContact OD1-CA 3.07Å; N319-G323 PolarHBondContact OD1-N 2.97Å; N319-G323 VanDerWaalsContact OD1-N 3.13Å; N319-D325 PolarHBondContact N-OD1 2.93Å |
| 320 | L | 97.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | -50.5 | -177.8 | 172.4 | 57 | 0 | 0 | 0 | 109.5 | F275 R291 A292 K295 L296 V317 E318 E324 L326 | F275-L320 HydrophobicContact CB-CD2 4.43Å; F275-L320 HydrophobicContact CD1-CD2 3.73Å; F275-L320 HydrophobicContact CD1-CG 4.48Å; F275-L320 HydrophobicContact CD2-CD2 3.8Å; F275-L320 HydrophobicContact CE1-CD2 3.81Å; F275-L320 HydrophobicContact CE1-CG 4.11Å; F275-L320 HydrophobicContact CE2-CB 4.31Å; F275-L320 HydrophobicContact CE2-CD2 3.87Å; F275-L320 HydrophobicContact CE2-CG 4.41Å; F275-L320 HydrophobicContact CG-CD2 3.71Å; F275-L320 HydrophobicContact CZ-CB 4.14Å; F275-L320 HydrophobicContact CZ-CD2 3.88Å; F275-L320 HydrophobicContact CZ-CG 4.07Å; R291-L320 PolarHBondContact NH2-O 3.25Å; A292-L320 HydrophobicContact CB-CD1 3.94Å; A292-L320 WeakPolarHBondContact CB-O 3.49Å; A292-L320 WeakPolarHBondContact O-CD1 3.11Å; K295-L320 HydrophobicContact CB-CD1 3.99Å; K295-L320 HydrophobicContact CD-CD1 4.5Å; L296-L320 HydrophobicContact CD1-CD1 4.43Å; L296-L320 HydrophobicContact CD1-CD2 4.37Å; L296-L320 HydrophobicContact CD2-CD1 4.18Å; L296-L320 HydrophobicContact CD2-CD2 3.65Å; L296-L320 HydrophobicContact CG-CD1 3.79Å; L296-L320 HydrophobicContact CG-CD2 4.02Å; V317-L320 HydrophobicContact CB-CB 4.32Å; V317-L320 HydrophobicContact CG1-CB 3.98Å; V317-L320 HydrophobicContact CG1-CD1 4.04Å; E318-L320 VanDerWaalsContact C-N 3.26Å; E318-L320 PolarHBondContact O-N 3.2Å; L320-E324 WeakPolarHBondContact CB-O 3.41Å; L320-E324 PolarHBondContact N-O 3.41Å; L320-L326 HydrophobicContact CD2-CB 3.83Å; L320-L326 HydrophobicContact CD2-CD2 4.02Å |
| 321 | F | 98 | Very high | 97.9 | Very high | 27 Ų | 27 | 61.6 Ų | 61.6 | 12% | 0.118 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 131.2 | 179.7 | -172.1 | -99.9 | 0 | 0 | 0 | 110.8 | F275 L281 V286 A292 G323 E324 | F275-F321 HydrophobicContact CE1-CB 3.86Å; F275-F321 HydrophobicContact CZ-CB 4.03Å; L281-F321 HydrophobicContact CD1-CD1 4.07Å; V286-F321 HydrophobicContact CG1-CD2 4.41Å; V286-F321 HydrophobicContact CG1-CG 4.43Å; V286-F321 HydrophobicContact CG2-CD1 3.85Å; V286-F321 HydrophobicContact CG2-CD2 4.4Å; V286-F321 HydrophobicContact CG2-CE1 4.02Å; V286-F321 HydrophobicContact CG2-CG 4.04Å; V286-F321 HydrophobicContact CG2-CZ 4.39Å; A292-F321 HydrophobicContact CB-CB 4.45Å; A292-F321 HydrophobicContact CB-CD2 4.19Å; F321-G323 VanDerWaalsContact C-N 3.26Å; F321-G323 PolarHBondContact O-N 3.02Å; F321-E324 PolarHBondContact N-O 3.45Å; F321-E324 VanDerWaalsContact O-CB 3.31Å; F321-E324 WeakPolarHBondContact O-CB 3.46Å; F321-E324 PolarHBondContact O-N 2.79Å |
| 322 | N | 94.7 | Very high | 97.9 | Very high | 127 Ų | 127 | 60.4 Ų | 60.4 | 68% | 0.679 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 39.2 | 179.5 | -65.9 | -3.7 | 0 | 0 | 0 | 115.4 | E324 | N322-E324 PolarHBondContact O-N 2.76Š|
| 323 | G | 95.7 | Very high | 97.9 | Very high | 52 Ų | 52 | 59.2 Ų | 59.2 | 54% | 0.536 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | -4.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | N319 F321 | N319-G323 WeakPolarHBondContact OD1-CA 3.07Å; N319-G323 PolarHBondContact OD1-N 2.97Å; N319-G323 VanDerWaalsContact OD1-N 3.13Å; F321-G323 VanDerWaalsContact C-N 3.26Å; F321-G323 PolarHBondContact O-N 3.02Å |
| 324 | E | 97.7 | Very high | 97.9 | Very high | 79 Ų | 79 | 60.7 Ų | 60.7 | 37% | 0.369 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 131.1 | 179.6 | -64.4 | -66.1 | 166.4 | 0 | 0 | 111.9 | F275 K279 L320 F321 N322 | F275-E324 HydrophobicContact CE2-CB 4.08Å; F275-E324 HydrophobicContact CZ-CB 3.91Å; K279-E324 HydrophobicContact CD-CB 4.3Å; K279-E324 HydrophobicContact CD-CG 4.39Å; K279-E324 WeakPolarHBondContact CD-OE2 3.2Å; K279-E324 WeakPolarHBondContact CE-OE2 3.32Å; K279-E324 HydrophobicContact CG-CB 4.33Å; K279-E324 IonicContact NZ-OE2 3.89Å; K279-E324 PolarHBondContact NZ-OE2 2.91Å; L320-E324 WeakPolarHBondContact CB-O 3.41Å; L320-E324 PolarHBondContact N-O 3.41Å; F321-E324 PolarHBondContact N-O 3.45Å; F321-E324 VanDerWaalsContact O-CB 3.31Å; F321-E324 WeakPolarHBondContact O-CB 3.46Å; F321-E324 PolarHBondContact O-N 2.79Å; N322-E324 PolarHBondContact O-N 2.76Å |
| 325 | D | 98.1 | Very high | 97.9 | Very high | 81 Ų | 81 | 55.8 Ų | 55.8 | 43% | 0.433 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 148.8 | 174.5 | -60 | -22.3 | 0 | 0 | 0 | 111.7 | K279 V317 E318 N319 | K279-D325 WeakPolarHBondContact CE-O 3.27Å; V317-D325 CarbonylContact O-C 3.46Å; V317-D325 WeakPolarHBondContact O-CA 3.36Å; E318-D325 WeakPolarHBondContact CA-OD1 3.39Å; N319-D325 PolarHBondContact N-OD1 2.93Å |
| 326 | L | 98.5 | Very high | 97.9 | Very high | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 130.4 | 167.2 | 176.4 | 60.1 | 0 | 0 | 0 | 109.7 | L271 F275 L296 Q316 V317 L320 V328 | L271-L326 HydrophobicContact CB-CD2 4.31Å; L271-L326 HydrophobicContact CD2-CD2 4.11Å; F275-L326 HydrophobicContact CB-CD1 3.83Å; F275-L326 HydrophobicContact CD2-CB 4.02Å; F275-L326 HydrophobicContact CD2-CD1 3.9Å; F275-L326 HydrophobicContact CE2-CB 4.45Å; F275-L326 HydrophobicContact CG-CD1 4.29Å; L296-L326 HydrophobicContact CD2-CD2 3.56Å; Q316-L326 CarbonylContact C-O 3.48Å; Q316-L326 VanDerWaalsContact CA-O 3.26Å; Q316-L326 WeakPolarHBondContact CA-O 3.36Å; V317-L326 HydrophobicContact CB-CB 4.08Å; V317-L326 HydrophobicContact CG2-CD2 4.22Å; V317-L326 PolarHBondContact N-O 3Å; V317-L326 PolarHBondContact O-N 2.78Å; L320-L326 HydrophobicContact CD2-CB 3.83Å; L320-L326 HydrophobicContact CD2-CD2 4.02Å; L326-V328 HydrophobicContact CD1-CB 4.29Å; L326-V328 HydrophobicContact CD1-CG1 3.61Å; L326-V328 HydrophobicContact CD1-CG2 3.78Å; L326-V328 HydrophobicContact CG-CG2 4.27Å |
| 327 | K | 98.3 | Very high | 97.9 | Very high | 141 Ų | 141 | 58.3 Ų | 58.3 | 61% | 0.613 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 105.7 | 164.8 | -179.3 | 168 | -179.1 | 175.3 | 0 | 109.5 | F314 A315 Q316 | F314-K327 HydrophobicContact CD1-CG 4.49Å; A315-K327 VanDerWaalsContact O-CA 3.29Å; A315-K327 WeakPolarHBondContact O-CA 3.42Å; Q316-K327 HydrophobicContact CG-CB 4.32Å; Q316-K327 HydrophobicContact CG-CD 4.41Å; Q316-K327 HydrophobicContact CG-CG 3.97Å |
| 328 | V | 98.2 | Very high | 97.9 | Very high | 7 Ų | 7 | 59.9 Ų | 59.9 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 141.5 | -175.9 | -67.2 | 0 | 0 | 0 | 0 | 111.7 | L271 K274 I278 F314 A315 L326 I330 | L271-V328 HydrophobicContact CD2-CG2 3.57Å; K274-V328 HydrophobicContact CB-CG1 4.05Å; K274-V328 HydrophobicContact CD-CB 4.29Å; K274-V328 HydrophobicContact CD-CG2 4.44Å; I278-V328 HydrophobicContact CD1-CG1 3.31Å; F314-V328 CarbonylContact C-O 3.4Å; F314-V328 VanDerWaalsContact CA-O 3.28Å; F314-V328 WeakPolarHBondContact CA-O 2.98Å; A315-V328 HydrophobicContact CB-CG2 4.01Å; A315-V328 PolarHBondContact N-O 3.02Å; A315-V328 PolarHBondContact O-N 3.1Å; L326-V328 HydrophobicContact CD1-CB 4.29Å; L326-V328 HydrophobicContact CD1-CG1 3.61Å; L326-V328 HydrophobicContact CD1-CG2 3.78Å; L326-V328 HydrophobicContact CG-CG2 4.27Å; V328-I330 HydrophobicContact CG2-CG1 4.5Å |
| 329 | K | 98.3 | Very high | 97.9 | Very high | 86 Ų | 86 | 52.4 Ų | 52.4 | 37% | 0.374 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 133.1 | 171.2 | -175.4 | 171.9 | 168.9 | 162.9 | 0 | 109.7 | K274 E312 I313 F314 | K274-K329 PolarHBondContact NZ-O 3.13Å; K274-K329 VanDerWaalsContact NZ-O 3.09Å; E312-K329 VanDerWaalsContact OE1-CE 3.29Å; E312-K329 WeakPolarHBondContact OE1-CE 3.45Å; E312-K329 IonicContact OE1-NZ 2.63Å; E312-K329 PolarHBondContact OE1-NZ 2.8Å; E312-K329 WeakPolarHBondContact OE2-CE 3.4Å; E312-K329 IonicContact OE2-NZ 3.97Å; E312-K329 PolarHBondContact OE2-NZ 2.66Å; I313-K329 WeakPolarHBondContact O-CA 3.41Å; F314-K329 HydrophobicContact CD1-CB 4.04Å; F314-K329 HydrophobicContact CE1-CB 3.76Å; F314-K329 HydrophobicContact CE1-CG 4.45Å; F314-K329 HydrophobicContact CZ-CB 4.17Å; F314-K329 HydrophobicContact CZ-CD 4.15Å; F314-K329 HydrophobicContact CZ-CG 4.4Å |
| 330 | I | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 139 | 170 | -63.2 | 180 | 0 | 0 | 0 | 108.2 | L271 V303 L307 E312 I313 A315 V328 | L271-I330 HydrophobicContact CD2-CD1 3.28Å; L271-I330 HydrophobicContact CD2-CG1 4.36Å; L271-I330 HydrophobicContact CG-CD1 3.85Å; V303-I330 HydrophobicContact CG1-CD1 4.28Å; V303-I330 HydrophobicContact CG1-CG2 4.39Å; L307-I330 HydrophobicContact CD1-CG2 3.85Å; E312-I330 WeakPolarHBondContact CA-O 3.34Å; I313-I330 PolarHBondContact N-O 2.82Å; I313-I330 PolarHBondContact O-N 3.42Å; A315-I330 HydrophobicContact CB-CD1 4.38Å; V328-I330 HydrophobicContact CG2-CG1 4.5Å |
| 331 | T | 98.7 | Very high | 98 | Very high | 42 Ų | 42 | 55.6 Ų | 55.6 | 26% | 0.258 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 156.5 | 175 | 70.7 | 0 | 0 | 0 | 0 | 111.4 | S311 E312 A333 E334 M335 | S311-T331 CarbonylContact O-C 3.58Å; S311-T331 WeakPolarHBondContact O-CA 3.5Å; E312-T331 HydrophobicContact CB-CG2 4.1Å; T331-A333 VanDerWaalsContact C-N 3.3Å; T331-A333 PolarHBondContact O-N 2.64Å; T331-E334 PolarHBondContact N-OE2 3.46Å; T331-E334 WeakPolarHBondContact O-CB 3Å; T331-E334 PolarHBondContact O-N 2.83Å; T331-E334 VanDerWaalsContact OG1-CB 3.26Å; T331-E334 WeakPolarHBondContact OG1-CB 3.44Å; T331-E334 PolarHBondContact OG1-N 3.36Å; T331-E334 VanDerWaalsContact OG1-N 3.13Å; T331-M335 PolarHBondContact O-N 3.04Å; T331-M335 VanDerWaalsContact O-N 3.1Å |
| 332 | R | 98.6 | Very high | 98 | Very high | 55 Ų | 55 | 54.4 Ų | 54.4 | 21% | 0.208 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.4 | -42.1 | 173.2 | -175.3 | -170.2 | -60.6 | 157.3 | -4 | 111 | L307 A309 N310 S311 E334 M335 E336 | L307-R332 HydrophobicContact CD2-CB 4.34Å; L307-R332 PolarHBondContact O-NE 3.3Å; L307-R332 PolarHBondContact O-NH2 2.9Å; A309-R332 VanDerWaalsContact C-NH2 3.29Å; A309-R332 PolarHBondContact O-NH2 3.39Å; N310-R332 PolarHBondContact O-NE 2.89Å; N310-R332 PolarHBondContact O-NH2 2.92Å; S311-R332 PolarHBondContact O-N 2.8Å; R332-E334 VanDerWaalsContact C-N 3.3Å; R332-E334 PolarHBondContact O-N 2.77Å; R332-M335 WeakPolarHBondContact O-CB 3.31Å; R332-M335 PolarHBondContact O-N 2.91Å; R332-E336 WeakPolarHBondContact CD-OE1 3.47Å; R332-E336 HydrophobicContact CG-CG 4.32Å; R332-E336 WeakPolarHBondContact CG-OE1 3.39Å; R332-E336 WeakPolarHBondContact O-CB 3.24Å; R332-E336 WeakPolarHBondContact O-CG 3.49Å; R332-E336 PolarHBondContact O-N 3.49Å |
| 333 | A | 98.5 | Very high | 98.2 | Very high | 61 Ų | 61 | 48.6 Ų | 48.6 | 50% | 0.504 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.8 | -38.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | T331 E336 T337 | T331-A333 VanDerWaalsContact C-N 3.3Å; T331-A333 PolarHBondContact O-N 2.64Å; A333-E336 PolarHBondContact O-N 3.41Å; A333-T337 PolarHBondContact O-N 3.47Å; A333-T337 PolarHBondContact O-OG1 3.36Å |
| 334 | E | 98.3 | Very high | 98.2 | Very high | 56 Ų | 56 | 51.3 Ų | 51.3 | 26% | 0.262 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.4 | -48.9 | 173.9 | -178.6 | 176.1 | -147.5 | 0 | 0 | 111.3 | H270 K274 T331 R332 E336 T337 F338 | H270-E334 IonicContact CE1-OE1 3.18Å; H270-E334 PolarHBondContact CE1-OE1 3.43Å; H270-E334 VanDerWaalsContact NE2-CD 3.34Å; H270-E334 IonicContact NE2-OE1 2.99Å; H270-E334 PolarHBondContact NE2-OE1 2.94Å; H270-E334 IonicContact NE2-OE2 3.65Å; K274-E334 WeakPolarHBondContact CE-OE1 3.4Å; K274-E334 IonicContact NZ-OE1 2.67Å; K274-E334 PolarHBondContact NZ-OE1 3.28Å; K274-E334 IonicContact NZ-OE2 3.49Å; K274-E334 PolarHBondContact NZ-OE2 2.74Å; T331-E334 PolarHBondContact N-OE2 3.46Å; T331-E334 WeakPolarHBondContact O-CB 3Å; T331-E334 PolarHBondContact O-N 2.83Å; T331-E334 VanDerWaalsContact OG1-CB 3.26Å; T331-E334 WeakPolarHBondContact OG1-CB 3.44Å; T331-E334 PolarHBondContact OG1-N 3.36Å; T331-E334 VanDerWaalsContact OG1-N 3.13Å; R332-E334 VanDerWaalsContact C-N 3.3Å; R332-E334 PolarHBondContact O-N 2.77Å; E334-E336 VanDerWaalsContact C-N 3.32Å; E334-E336 PolarHBondContact O-N 3.49Å; E334-T337 WeakPolarHBondContact O-CB 3.42Å; E334-T337 PolarHBondContact O-N 2.93Å; E334-T337 VanDerWaalsContact O-N 3.1Å; E334-F338 HydrophobicContact CG-CD1 4.14Å; E334-F338 HydrophobicContact CG-CE1 4.05Å; E334-F338 WeakPolarHBondContact O-CD1 3.31Å; E334-F338 PolarHBondContact O-N 3.31Å; E334-F338 VanDerWaalsContact O-N 3.16Å |
| 335 | M | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.6 | -45.2 | 174.3 | -176.5 | -158 | 75 | 0 | 0 | 112.2 | I267 L304 L307 T331 R332 T337 F338 C339 I374 | I267-M335 HydrophobicContact CD1-CG 4.1Å; I267-M335 HydrophobicContact CD1-SD 3.9Å; I267-M335 HydrophobicContact CG1-CG 4.07Å; L304-M335 HydrophobicContact CD1-SD 3.74Å; L307-M335 HydrophobicContact CB-SD 4.49Å; L307-M335 HydrophobicContact CD1-CB 4.09Å; L307-M335 HydrophobicContact CD1-SD 4.02Å; T331-M335 PolarHBondContact O-N 3.04Å; T331-M335 VanDerWaalsContact O-N 3.1Å; R332-M335 WeakPolarHBondContact O-CB 3.31Å; R332-M335 PolarHBondContact O-N 2.91Å; M335-T337 PolarHBondContact O-N 2.67Å; M335-F338 VanDerWaalsContact CA-CE1 3.43Å; M335-F338 VanDerWaalsContact CA-CZ 3.48Å; M335-F338 HydrophobicContact CB-CE1 4.29Å; M335-F338 HydrophobicContact CB-CE2 4.49Å; M335-F338 HydrophobicContact CB-CZ 3.96Å; M335-F338 HydrophobicContact CG-CE2 4.15Å; M335-F338 HydrophobicContact CG-CZ 4.01Å; M335-F338 PolarHBondContact O-N 3.21Å; M335-C339 VanDerWaalsContact O-CB 3.27Å; M335-C339 WeakPolarHBondContact O-CB 3.47Å; M335-C339 PolarHBondContact O-N 3.08Å; M335-C339 PolarHBondContact O-SG 3.33Å; M335-C339 VanDerWaalsContact O-SG 3.34Å; M335-I374 HydrophobicContact CE-CG2 4.28Å |
| 336 | E | 98.5 | Very high | 98.2 | Very high | 52 Ų | 52 | 47 Ų | 47 | 24% | 0.243 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.5 | -33.8 | 178.4 | -75.1 | 175 | -175.1 | 0 | 0 | 112.2 | R332 A333 E334 S340 F343 K376 | R332-E336 WeakPolarHBondContact CD-OE1 3.47Å; R332-E336 HydrophobicContact CG-CG 4.32Å; R332-E336 WeakPolarHBondContact CG-OE1 3.39Å; R332-E336 WeakPolarHBondContact O-CB 3.24Å; R332-E336 WeakPolarHBondContact O-CG 3.49Å; R332-E336 PolarHBondContact O-N 3.49Å; A333-E336 PolarHBondContact O-N 3.41Å; E334-E336 VanDerWaalsContact C-N 3.32Å; E334-E336 PolarHBondContact O-N 3.49Å; E336-S340 PolarHBondContact O-N 3.35Å; E336-S340 VanDerWaalsContact O-N 3.17Å; E336-F343 HydrophobicContact CB-CE2 4.2Å; E336-F343 HydrophobicContact CG-CE2 4.18Å; E336-F343 HydrophobicContact CG-CZ 4.03Å; E336-K376 HydrophobicContact CG-CB 4.22Å |
| 337 | T | 98.4 | Very high | 98.2 | Very high | 103 Ų | 103 | 49.6 Ų | 49.6 | 63% | 0.632 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -68 | -52.8 | 178.3 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | A333 E334 M335 C339 S340 | A333-T337 PolarHBondContact O-N 3.47Å; A333-T337 PolarHBondContact O-OG1 3.36Å; E334-T337 WeakPolarHBondContact O-CB 3.42Å; E334-T337 PolarHBondContact O-N 2.93Å; E334-T337 VanDerWaalsContact O-N 3.1Å; M335-T337 PolarHBondContact O-N 2.67Å; T337-C339 VanDerWaalsContact C-N 3.27Å; T337-C339 PolarHBondContact O-N 3.32Å; T337-S340 WeakPolarHBondContact O-CB 3.44Å; T337-S340 PolarHBondContact O-N 2.89Å; T337-S340 PolarHBondContact O-OG 3.26Å |
| 338 | F | 97.7 | Very high | 98.1 | Very high | 49 Ų | 49 | 48 Ų | 48 | 22% | 0.215 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -79.1 | -6.4 | -178.2 | 66.7 | -116.3 | 0 | 0 | 0 | 114.5 | R266 I267 H270 E334 M335 | R266-F338 HydrophobicContact CB-CD2 4.04Å; R266-F338 HydrophobicContact CB-CE2 3.94Å; R266-F338 PolarHBondContact NH1-O 3.31Å; R266-F338 VanDerWaalsContact NH1-O 3.13Å; I267-F338 HydrophobicContact CG1-CE2 4.04Å; I267-F338 HydrophobicContact CG1-CZ 3.95Å; H270-F338 HydrophobicContact CB-CE1 4.05Å; H270-F338 HydrophobicContact CB-CZ 4.08Å; H270-F338 AromaticContact CD2-CE1 3.74Å; H270-F338 AromaticContact CG-CE1 3.67Å; E334-F338 HydrophobicContact CG-CD1 4.14Å; E334-F338 HydrophobicContact CG-CE1 4.05Å; E334-F338 WeakPolarHBondContact O-CD1 3.31Å; E334-F338 PolarHBondContact O-N 3.31Å; E334-F338 VanDerWaalsContact O-N 3.16Å; M335-F338 VanDerWaalsContact CA-CE1 3.43Å; M335-F338 VanDerWaalsContact CA-CZ 3.48Å; M335-F338 HydrophobicContact CB-CE1 4.29Å; M335-F338 HydrophobicContact CB-CE2 4.49Å; M335-F338 HydrophobicContact CB-CZ 3.96Å; M335-F338 HydrophobicContact CG-CE2 4.15Å; M335-F338 HydrophobicContact CG-CZ 4.01Å; M335-F338 PolarHBondContact O-N 3.21Å |
| 339 | C | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 14.2 | 170.6 | -60.7 | 0 | 0 | 0 | 0 | 112.7 | F263 M335 T337 D341 L342 F343 | F263-C339 HydrophobicContact CD1-CB 3.92Å; F263-C339 HydrophobicContact CE1-CB 3.97Å; M335-C339 VanDerWaalsContact O-CB 3.27Å; M335-C339 WeakPolarHBondContact O-CB 3.47Å; M335-C339 PolarHBondContact O-N 3.08Å; M335-C339 PolarHBondContact O-SG 3.33Å; M335-C339 VanDerWaalsContact O-SG 3.34Å; T337-C339 VanDerWaalsContact C-N 3.27Å; T337-C339 PolarHBondContact O-N 3.32Å; C339-D341 VanDerWaalsContact C-N 3.26Å; C339-D341 PolarHBondContact O-N 3Å; C339-L342 HydrophobicContact CB-CB 4.42Å; C339-L342 HydrophobicContact CB-CD1 4.18Å; C339-L342 HydrophobicContact CB-CG 4.49Å; C339-L342 WeakPolarHBondContact O-CB 3.12Å; C339-L342 PolarHBondContact O-N 2.65Å; C339-F343 HydrophobicContact CB-CD2 4.45Å; C339-F343 HydrophobicContact CB-CE2 3.74Å; C339-F343 HydrophobicContact CB-CZ 4.25Å; C339-F343 WeakPolarHBondContact O-CD2 3.49Å; C339-F343 WeakPolarHBondContact O-CE2 3.27Å; C339-F343 PolarHBondContact O-N 2.89Å |
| 340 | S | 98.2 | Very high | 97.9 | Very high | 70 Ų | 70 | 43.8 Ų | 43.8 | 49% | 0.49 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -51.4 | -42.8 | -176 | 46.3 | 0 | 0 | 0 | 0 | 113.3 | E336 T337 L342 F343 | E336-S340 PolarHBondContact O-N 3.35Å; E336-S340 VanDerWaalsContact O-N 3.17Å; T337-S340 WeakPolarHBondContact O-CB 3.44Å; T337-S340 PolarHBondContact O-N 2.89Å; T337-S340 PolarHBondContact O-OG 3.26Å; S340-L342 VanDerWaalsContact C-N 3.33Å; S340-L342 PolarHBondContact O-N 3.48Å; S340-F343 PolarHBondContact O-N 2.84Å |
| 341 | D | 97.9 | Very high | 97.8 | Very high | 74 Ų | 74 | 46.6 Ų | 46.6 | 40% | 0.396 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.6 | -33.8 | 176.1 | 65.5 | -55.4 | 0 | 0 | 0 | 113.6 | R266 C339 E344 | R266-D341 IonicContact CZ-OD1 2.88Å; R266-D341 IonicContact CZ-OD2 3.27Å; R266-D341 IonicContact NH1-OD1 2.74Å; R266-D341 PolarHBondContact NH1-OD1 3.01Å; R266-D341 IonicContact NH1-OD2 3.34Å; R266-D341 PolarHBondContact NH1-OD2 3.3Å; R266-D341 IonicContact NH2-OD1 3.63Å; R266-D341 IonicContact NH2-OD2 2.79Å; R266-D341 PolarHBondContact NH2-OD2 3.07Å; C339-D341 VanDerWaalsContact C-N 3.26Å; C339-D341 PolarHBondContact O-N 3Å; D341-E344 PolarHBondContact O-N 3.44Å |
| 342 | L | 98.2 | Very high | 97.7 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -70.1 | -33.8 | 178.8 | -60.9 | -175.5 | 0 | 0 | 0 | 111.7 | F258 V262 F263 R266 C339 S340 E344 R345 | F258-L342 HydrophobicContact CE2-CB 4.1Å; F258-L342 VanDerWaalsContact CE2-O 3.27Å; F258-L342 WeakPolarHBondContact CE2-O 3.5Å; F258-L342 VanDerWaalsContact CZ-O 3.29Å; F258-L342 WeakPolarHBondContact CZ-O 3.38Å; V262-L342 HydrophobicContact CB-CD1 4.06Å; V262-L342 HydrophobicContact CB-CD2 4.36Å; V262-L342 HydrophobicContact CG2-CD1 3.83Å; V262-L342 HydrophobicContact CG2-CD2 4.14Å; F263-L342 HydrophobicContact CD1-CD1 3.96Å; F263-L342 HydrophobicContact CE1-CB 3.87Å; F263-L342 HydrophobicContact CE1-CD1 4.04Å; F263-L342 HydrophobicContact CG-CD1 4.2Å; F263-L342 HydrophobicContact CZ-CB 3.87Å; F263-L342 HydrophobicContact CZ-CD1 4.36Å; R266-L342 HydrophobicContact CG-CD1 4.03Å; C339-L342 HydrophobicContact CB-CB 4.42Å; C339-L342 HydrophobicContact CB-CD1 4.18Å; C339-L342 HydrophobicContact CB-CG 4.49Å; C339-L342 WeakPolarHBondContact O-CB 3.12Å; C339-L342 PolarHBondContact O-N 2.65Å; S340-L342 VanDerWaalsContact C-N 3.33Å; S340-L342 PolarHBondContact O-N 3.48Å; L342-E344 VanDerWaalsContact C-N 3.27Å; L342-E344 PolarHBondContact O-N 3.09Å; L342-R345 WeakPolarHBondContact O-CB 3.46Å; L342-R345 PolarHBondContact O-N 3.29Å |
| 343 | F | 98.4 | Very high | 97.6 | Very high | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68 | -28.3 | 177.2 | -63.6 | -66 | 0 | 0 | 0 | 112.9 | F263 E336 C339 S340 R345 V346 I374 K376 I377 I380 | F263-F343 HydrophobicContact CE1-CD1 4.31Å; F263-F343 AromaticContact CE1-CE1 3.73Å; F263-F343 HydrophobicContact CE1-CE1 3.73Å; F263-F343 HydrophobicContact CE1-CE2 4.37Å; F263-F343 AromaticContact CE1-CZ 3.77Å; F263-F343 HydrophobicContact CE1-CZ 3.77Å; F263-F343 HydrophobicContact CZ-CD1 4.45Å; F263-F343 HydrophobicContact CZ-CE1 4.16Å; E336-F343 HydrophobicContact CB-CE2 4.2Å; E336-F343 HydrophobicContact CG-CE2 4.18Å; E336-F343 HydrophobicContact CG-CZ 4.03Å; C339-F343 HydrophobicContact CB-CD2 4.45Å; C339-F343 HydrophobicContact CB-CE2 3.74Å; C339-F343 HydrophobicContact CB-CZ 4.25Å; C339-F343 WeakPolarHBondContact O-CD2 3.49Å; C339-F343 WeakPolarHBondContact O-CE2 3.27Å; C339-F343 PolarHBondContact O-N 2.89Å; S340-F343 PolarHBondContact O-N 2.84Å; F343-R345 PolarHBondContact O-N 3.35Å; F343-V346 WeakPolarHBondContact O-CB 3.44Å; F343-V346 WeakPolarHBondContact O-CG2 3.4Å; F343-V346 PolarHBondContact O-N 3Å; F343-I374 HydrophobicContact CE1-CG2 3.89Å; F343-I374 HydrophobicContact CZ-CG2 4.35Å; F343-K376 HydrophobicContact CB-CG 4.45Å; F343-K376 HydrophobicContact CD1-CB 3.97Å; F343-K376 HydrophobicContact CD1-CG 3.64Å; F343-K376 HydrophobicContact CD2-CG 4.1Å; F343-K376 HydrophobicContact CE1-CB 3.71Å; F343-K376 HydrophobicContact CE1-CG 3.85Å; F343-K376 HydrophobicContact CE2-CG 4.31Å; F343-K376 HydrophobicContact CG-CG 3.79Å; F343-K376 HydrophobicContact CZ-CB 4.09Å; F343-K376 HydrophobicContact CZ-CG 4.18Å; F343-I377 HydrophobicContact CD1-CG1 3.86Å; F343-I377 HydrophobicContact CE1-CG1 3.92Å; F343-I380 HydrophobicContact CB-CD1 3.72Å; F343-I380 WeakPolarHBondContact O-CD1 3.48Å |
| 344 | E | 97 | Very high | 97.6 | Very high | 109 Ų | 109 | 42.7 Ų | 42.7 | 51% | 0.509 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.8 | -31.5 | 174.3 | -64.2 | -55 | 122.7 | 0 | 0 | 112.3 | D341 L342 V346 R347 | D341-E344 PolarHBondContact O-N 3.44Å; L342-E344 VanDerWaalsContact C-N 3.27Å; L342-E344 PolarHBondContact O-N 3.09Å; E344-V346 VanDerWaalsContact C-N 3.25Å; E344-V346 PolarHBondContact O-N 3.28Å; E344-R347 PolarHBondContact O-N 2.89Å; E344-R347 IonicContact OE1-CZ 3.05Å; E344-R347 IonicContact OE1-NH1 3.45Å; E344-R347 PolarHBondContact OE1-NH1 3.45Å; E344-R347 IonicContact OE1-NH2 3.45Å; E344-R347 IonicContact OE2-CZ 2.73Å; E344-R347 IonicContact OE2-NH1 3.4Å; E344-R347 PolarHBondContact OE2-NH1 3.03Å |
| 345 | R | 97.3 | Very high | 97.4 | Very high | 71 Ų | 71 | 44.1 Ų | 44.1 | 27% | 0.268 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -20 | 178.8 | -61 | 173.7 | 65.4 | 172.8 | 7.2 | 113.8 | D255 T257 F258 L342 F343 R347 P349 | D255-R345 IonicContact OD1-NH2 3.74Å; D255-R345 PolarHBondContact OD1-NH2 2.61Å; D255-R345 IonicContact OD2-CZ 3.66Å; D255-R345 VanDerWaalsContact OD2-CZ 3.27Å; D255-R345 IonicContact OD2-NE 3.5Å; D255-R345 PolarHBondContact OD2-NE 3.49Å; D255-R345 IonicContact OD2-NH2 2.92Å; D255-R345 PolarHBondContact OD2-NH2 3.17Å; T257-R345 PolarHBondContact OG1-NH2 3.07Å; F258-R345 HydrophobicContact CD1-CB 4.1Å; F258-R345 HydrophobicContact CD2-CB 4.2Å; F258-R345 HydrophobicContact CE1-CB 4.22Å; F258-R345 HydrophobicContact CE2-CB 4.31Å; F258-R345 HydrophobicContact CG-CB 4.13Å; F258-R345 HydrophobicContact CZ-CB 4.33Å; L342-R345 WeakPolarHBondContact O-CB 3.46Å; L342-R345 PolarHBondContact O-N 3.29Å; F343-R345 PolarHBondContact O-N 3.35Å; R345-R347 PolarHBondContact O-N 3.09Å; R345-P349 VanDerWaalsContact O-CD 3.26Å; R345-P349 WeakPolarHBondContact O-CD 3.27Å |
| 346 | V | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -32.5 | 177.8 | 178.4 | 0 | 0 | 0 | 0 | 111.7 | F216 F258 F343 E344 I377 I380 L381 | F216-V346 HydrophobicContact CE1-CG1 4.24Å; F216-V346 HydrophobicContact CZ-CG1 4.15Å; F216-V346 WeakPolarHBondContact CZ-O 3.27Å; F258-V346 HydrophobicContact CE1-CB 4.45Å; F258-V346 HydrophobicContact CE1-CG2 3.74Å; F258-V346 HydrophobicContact CZ-CG2 3.62Å; F343-V346 WeakPolarHBondContact O-CB 3.44Å; F343-V346 WeakPolarHBondContact O-CG2 3.4Å; F343-V346 PolarHBondContact O-N 3Å; E344-V346 VanDerWaalsContact C-N 3.25Å; E344-V346 PolarHBondContact O-N 3.28Å; V346-I377 HydrophobicContact CG1-CG2 4.03Å; V346-I377 HydrophobicContact CG2-CD1 4.18Å; V346-I377 HydrophobicContact CG2-CG1 4Å; V346-I377 HydrophobicContact CG2-CG2 4.29Å; V346-I380 HydrophobicContact CB-CG2 4.21Å; V346-I380 HydrophobicContact CG1-CB 4.48Å; V346-I380 HydrophobicContact CG1-CG2 3.99Å; V346-L381 HydrophobicContact CG1-CD2 4.07Å; V346-L381 HydrophobicContact CG1-CG 4.15Å |
| 347 | R | 97.4 | Very high | 97 | Very high | 57 Ų | 57 | 50.1 Ų | 50.1 | 22% | 0.215 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.8 | -43.1 | -171.3 | -61.2 | -178.2 | 163.3 | 80.3 | 3.3 | 112.8 | E344 R345 F350 S351 I380 H384 | E344-R347 PolarHBondContact O-N 2.89Å; E344-R347 IonicContact OE1-CZ 3.05Å; E344-R347 IonicContact OE1-NH1 3.45Å; E344-R347 PolarHBondContact OE1-NH1 3.45Å; E344-R347 IonicContact OE1-NH2 3.45Å; E344-R347 IonicContact OE2-CZ 2.73Å; E344-R347 IonicContact OE2-NH1 3.4Å; E344-R347 PolarHBondContact OE2-NH1 3.03Å; R345-R347 PolarHBondContact O-N 3.09Å; R347-F350 PolarHBondContact O-N 2.83Å; R347-S351 PolarHBondContact O-N 3.03Å; R347-S351 PolarHBondContact O-OG 2.87Å; R347-I380 HydrophobicContact CG-CG2 3.82Å; R347-H384 WeakPolarHBondContact CD-NE2 3.49Å; R347-H384 VanDerWaalsContact CG-NE2 3.3Å; R347-H384 WeakPolarHBondContact CG-NE2 3.4Å; R347-H384 PolarHBondContact NE-CE1 2.91Å; R347-H384 PolarHBondContact NE-NE2 3.21Å |
| 348 | R | 96.1 | Very high | 96.9 | Very high | 107 Ų | 107 | 47.9 Ų | 47.9 | 40% | 0.404 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.2 | -52.2 | -169.1 | 171.1 | -178.1 | 171.9 | -167.3 | -0.4 | 113.2 | F350 S351 D352 D498 | R348-F350 PolarHBondContact O-N 2.92Å; R348-F350 VanDerWaalsContact O-N 3.17Å; R348-S351 PolarHBondContact O-N 3.11Å; R348-S351 VanDerWaalsContact O-N 3.12Å; R348-D352 VanDerWaalsContact CG-OD2 3.31Å; R348-D352 WeakPolarHBondContact CG-OD2 3.46Å; R348-D352 IonicContact NE-OD2 3.88Å; R348-D352 PolarHBondContact NE-OD2 3.34Å; R348-D352 WeakPolarHBondContact O-CB 3.44Å; R348-D352 PolarHBondContact O-N 2.88Å; R348-D498 IonicContact CZ-OD2 2.88Å; R348-D498 IonicContact NH1-OD2 3.65Å; R348-D498 PolarHBondContact NH1-OD2 2.78Å; R348-D498 IonicContact NH2-OD2 2.78Å |
| 349 | P | 96.4 | Very high | 96.8 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.013 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.4 | -36.8 | -179.3 | -27.9 | 36.3 | 0 | 0 | 0 | 113.1 | F216 T223 A225 R345 I353 | F216-P349 HydrophobicContact CE2-CB 4.17Å; F216-P349 HydrophobicContact CZ-CB 4.34Å; T223-P349 HydrophobicContact CG2-CB 4.25Å; T223-P349 HydrophobicContact CG2-CG 3.94Å; A225-P349 HydrophobicContact CB-CB 3.81Å; A225-P349 VanDerWaalsContact CB-O 3.28Å; A225-P349 WeakPolarHBondContact CB-O 3.25Å; R345-P349 VanDerWaalsContact O-CD 3.26Å; R345-P349 WeakPolarHBondContact O-CD 3.27Å; P349-I353 PolarHBondContact O-N 3.19Å |
| 350 | F | 97.6 | Very high | 96.7 | Very high | 3 Ų | 3 | 54.5 Ų | 54.5 | 1% | 0.013 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.3 | -49.2 | 176.5 | -173.2 | -94.5 | 0 | 0 | 0 | 111.7 | V214 F216 R347 R348 D352 I353 M354 M359 L362 V365 H384 S385 | V214-F350 HydrophobicContact CB-CE2 4.48Å; V214-F350 HydrophobicContact CG1-CD2 4.17Å; V214-F350 HydrophobicContact CG1-CE2 4.06Å; V214-F350 HydrophobicContact CG2-CE2 4.3Å; F216-F350 HydrophobicContact CD2-CB 4.33Å; F216-F350 HydrophobicContact CD2-CD2 4.26Å; F216-F350 HydrophobicContact CE2-CB 3.8Å; R347-F350 PolarHBondContact O-N 2.83Å; R348-F350 PolarHBondContact O-N 2.92Å; R348-F350 VanDerWaalsContact O-N 3.17Å; F350-D352 VanDerWaalsContact C-N 3.32Å; F350-D352 PolarHBondContact O-N 2.72Å; F350-I353 WeakPolarHBondContact O-CG1 3.44Å; F350-I353 PolarHBondContact O-N 2.91Å; F350-M354 HydrophobicContact CD1-CG 4.23Å; F350-M354 HydrophobicContact CE1-CG 3.85Å; F350-M354 HydrophobicContact CE2-CG 4.36Å; F350-M354 HydrophobicContact CZ-CG 3.89Å; F350-M354 VanDerWaalsContact O-CG 3.31Å; F350-M354 WeakPolarHBondContact O-CG 3.32Å; F350-M354 PolarHBondContact O-N 3.44Å; F350-M359 HydrophobicContact CE1-CE 3.89Å; F350-M359 HydrophobicContact CZ-CE 4.24Å; F350-M359 HydrophobicContact CZ-SD 4.3Å; F350-L362 HydrophobicContact CZ-CD2 4.32Å; F350-V365 HydrophobicContact CE2-CG2 4.01Å; F350-H384 HydrophobicContact CD1-CB 4.08Å; F350-H384 HydrophobicContact CE1-CB 4.36Å; F350-H384 WeakPolarHBondContact CE1-O 3.37Å; F350-S385 VanDerWaalsContact CZ-CA 3.5Å; F350-S385 VanDerWaalsContact CZ-CB 3.45Å |
| 351 | S | 96.9 | Very high | 96.7 | Very high | 60 Ų | 60 | 53.2 Ų | 53.2 | 42% | 0.42 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.5 | -40.1 | 179.6 | -60.9 | 0 | 0 | 0 | 0 | 112.6 | R347 R348 I353 M354 V355 | R347-S351 PolarHBondContact O-N 3.03Å; R347-S351 PolarHBondContact O-OG 2.87Å; R348-S351 PolarHBondContact O-N 3.11Å; R348-S351 VanDerWaalsContact O-N 3.12Å; S351-I353 VanDerWaalsContact C-N 3.32Å; S351-I353 PolarHBondContact O-N 2.9Å; S351-M354 PolarHBondContact O-N 3.14Å; S351-V355 PolarHBondContact O-N 3.07Å; S351-V355 VanDerWaalsContact O-N 3.14Å |
| 352 | D | 95.4 | Very high | 96.7 | Very high | 59 Ų | 59 | 49.9 Ų | 49.9 | 32% | 0.316 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.5 | -35.6 | -178.6 | -71.4 | -7.7 | 0 | 0 | 0 | 112.5 | N251 S253 R348 F350 V355 | N251-D352 PolarHBondContact ND2-O 3.08Å; S253-D352 VanDerWaalsContact CB-CB 3.43Å; S253-D352 WeakPolarHBondContact OG-CB 3.3Å; S253-D352 PolarHBondContact OG-OD2 2.96Å; R348-D352 VanDerWaalsContact CG-OD2 3.31Å; R348-D352 WeakPolarHBondContact CG-OD2 3.46Å; R348-D352 IonicContact NE-OD2 3.88Å; R348-D352 PolarHBondContact NE-OD2 3.34Å; R348-D352 WeakPolarHBondContact O-CB 3.44Å; R348-D352 PolarHBondContact O-N 2.88Å; F350-D352 VanDerWaalsContact C-N 3.32Å; F350-D352 PolarHBondContact O-N 2.72Å; D352-V355 WeakPolarHBondContact O-CG1 3.25Å |
| 353 | I | 97.2 | Very high | 96.7 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -80.5 | -24.5 | 178 | 63.2 | 166.2 | 0 | 0 | 0 | 113.3 | V214 A225 L227 N251 P349 F350 S351 | V214-I353 HydrophobicContact CB-CD1 4.46Å; V214-I353 HydrophobicContact CG1-CD1 3.85Å; V214-I353 HydrophobicContact CG2-CD1 3.79Å; A225-I353 HydrophobicContact CB-CD1 3.66Å; A225-I353 HydrophobicContact CB-CG1 4.14Å; A225-I353 HydrophobicContact CB-CG2 4.21Å; A225-I353 WeakPolarHBondContact O-CG2 3.34Å; L227-I353 HydrophobicContact CB-CB 4.47Å; L227-I353 HydrophobicContact CB-CD1 4.25Å; N251-I353 HydrophobicContact CB-CB 4.23Å; N251-I353 HydrophobicContact CB-CG2 4.42Å; N251-I353 WeakPolarHBondContact ND2-CA 3.19Å; N251-I353 PolarHBondContact ND2-O 3.08Å; P349-I353 PolarHBondContact O-N 3.19Å; F350-I353 WeakPolarHBondContact O-CG1 3.44Å; F350-I353 PolarHBondContact O-N 2.91Å; S351-I353 VanDerWaalsContact C-N 3.32Å; S351-I353 PolarHBondContact O-N 2.9Å |
| 354 | M | 97.6 | Very high | 96.6 | Very high | 16 Ų | 16 | 55.3 Ų | 55.3 | 8% | 0.079 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -92.5 | 2.8 | -178.9 | -63.3 | -58 | -70.5 | 0 | 0 | 112.8 | V214 L227 F350 S351 D356 F357 M359 L362 | V214-M354 HydrophobicContact CG2-SD 4.05Å; L227-M354 HydrophobicContact CD1-SD 4.45Å; F350-M354 HydrophobicContact CD1-CG 4.23Å; F350-M354 HydrophobicContact CE1-CG 3.85Å; F350-M354 HydrophobicContact CE2-CG 4.36Å; F350-M354 HydrophobicContact CZ-CG 3.89Å; F350-M354 VanDerWaalsContact O-CG 3.31Å; F350-M354 WeakPolarHBondContact O-CG 3.32Å; F350-M354 PolarHBondContact O-N 3.44Å; S351-M354 PolarHBondContact O-N 3.14Å; M354-D356 PolarHBondContact O-N 2.92Å; M354-F357 HydrophobicContact CE-CB 4.45Å; M354-F357 HydrophobicContact CE-CD1 3.36Å; M354-F357 HydrophobicContact CE-CE1 3.99Å; M354-F357 HydrophobicContact CE-CG 4.28Å; M354-F357 PolarHBondContact O-N 3.41Å; M354-F357 HydrophobicContact SD-CD1 4.06Å; M354-M359 HydrophobicContact CE-CE 3.87Å; M354-M359 HydrophobicContact CE-SD 3.71Å; M354-M359 HydrophobicContact CG-CE 4.49Å; M354-L362 HydrophobicContact CE-CB 4.34Å; M354-L362 HydrophobicContact CE-CD2 3.98Å; M354-L362 HydrophobicContact SD-CD2 4.41Å |
| 355 | V | 94.4 | Very high | 96.7 | Very high | 86 Ų | 86 | 50.2 Ų | 50.2 | 52% | 0.521 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 128.3 | 174.4 | 72.3 | 0 | 0 | 0 | 0 | 109.6 | S351 D352 F357 | S351-V355 PolarHBondContact O-N 3.07Å; S351-V355 VanDerWaalsContact O-N 3.14Å; D352-V355 WeakPolarHBondContact O-CG1 3.25Å; V355-F357 PolarHBondContact O-N 2.84Å |
| 356 | D | 92.5 | Very high | 96.7 | Very high | 142 Ų | 142 | 46.9 Ų | 46.9 | 76% | 0.759 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58 | 10.4 | -176.7 | -51.9 | -39.6 | 0 | 0 | 0 | 115.6 | M354 | M354-D356 PolarHBondContact O-N 2.92Š|
| 357 | F | 97 | Very high | 96.7 | Very high | 36 Ų | 36 | 47.2 Ų | 47.2 | 16% | 0.158 | 24% | 0.243 | C | C | . | . | trans | -101.6 | 129.2 | 177.5 | -173.1 | -85.7 | 0 | 0 | 0 | 111.7 | Y212 L227 M354 V355 M359 L362 | Y212-F357 AromaticContact CD1-CE2 3.66Å; Y212-F357 HydrophobicContact CD1-CE2 3.66Å; Y212-F357 AromaticContact CD1-CZ 3.8Å; Y212-F357 HydrophobicContact CD1-CZ 3.8Å; Y212-F357 HydrophobicContact CD2-CE2 4.23Å; Y212-F357 AromaticContact CD2-CZ 3.85Å; Y212-F357 HydrophobicContact CD2-CZ 3.85Å; Y212-F357 AromaticContact CE1-CE2 3.86Å; Y212-F357 HydrophobicContact CE1-CE2 3.86Å; Y212-F357 HydrophobicContact CE1-CZ 4.37Å; Y212-F357 HydrophobicContact CE2-CE2 4.41Å; Y212-F357 HydrophobicContact CE2-CZ 4.42Å; Y212-F357 AromaticContact CG-CE2 3.85Å; Y212-F357 HydrophobicContact CG-CE2 3.85Å; Y212-F357 AromaticContact CG-CZ 3.51Å; Y212-F357 HydrophobicContact CG-CZ 3.51Å; L227-F357 HydrophobicContact CD1-CZ 4.41Å; L227-F357 HydrophobicContact CD2-CB 4.48Å; L227-F357 HydrophobicContact CD2-CD2 3.66Å; L227-F357 HydrophobicContact CD2-CE2 3.97Å; L227-F357 HydrophobicContact CD2-CG 3.95Å; M354-F357 HydrophobicContact CE-CB 4.45Å; M354-F357 HydrophobicContact CE-CD1 3.36Å; M354-F357 HydrophobicContact CE-CE1 3.99Å; M354-F357 HydrophobicContact CE-CG 4.28Å; M354-F357 PolarHBondContact O-N 3.41Å; M354-F357 HydrophobicContact SD-CD1 4.06Å; V355-F357 PolarHBondContact O-N 2.84Å; F357-M359 PolarHBondContact O-N 3.12Å; F357-L362 HydrophobicContact CE1-CB 4.17Å | ||
| 358 | P | 96.2 | Very high | 96.7 | Very high | 57 Ų | 57 | 44.8 Ų | 44.8 | 37% | 0.37 | 23% | 0.234 | S | C | . | . | trans | -70.6 | 120.2 | -179.3 | 26.9 | -33.1 | 0 | 0 | 0 | 112.3 | E360 S361 | P358-E360 VanDerWaalsContact C-N 3.25Å; P358-E360 HydrophobicContact CB-CG 4.29Å; P358-E360 PolarHBondContact O-N 2.96Å; P358-S361 WeakPolarHBondContact CG-OG 3.43Å; P358-S361 WeakPolarHBondContact O-CB 3.45Å; P358-S361 PolarHBondContact O-N 3.06Å | ||
| 359 | M | 96 | Very high | 96.7 | Very high | 32 Ų | 32 | 40.2 Ų | 40.2 | 16% | 0.158 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -59.1 | -34.1 | -175.2 | -168 | 61.2 | 67.9 | 0 | 0 | 113.3 | F350 M354 F357 S361 L362 S385 Q386 | F350-M359 HydrophobicContact CE1-CE 3.89Å; F350-M359 HydrophobicContact CZ-CE 4.24Å; F350-M359 HydrophobicContact CZ-SD 4.3Å; M354-M359 HydrophobicContact CE-CE 3.87Å; M354-M359 HydrophobicContact CE-SD 3.71Å; M354-M359 HydrophobicContact CG-CE 4.49Å; F357-M359 PolarHBondContact O-N 3.12Å; M359-S361 PolarHBondContact O-N 3.37Å; M359-L362 WeakPolarHBondContact O-CB 3.4Å; M359-L362 PolarHBondContact O-N 3.1Å; M359-L362 HydrophobicContact SD-CD2 4.13Å; M359-S385 VanDerWaalsContact SD-O 3.32Å; M359-Q386 HydrophobicContact CG-CB 4.31Å; M359-Q386 HydrophobicContact CG-CG 4.44Å |
| 360 | E | 96.2 | Very high | 96.6 | Very high | 155 Ų | 155 | 41.5 Ų | 41.5 | 72% | 0.724 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -64.7 | -23.9 | 176.4 | 48.8 | -86.6 | -163.3 | 0 | 0 | 113.6 | P358 | P358-E360 VanDerWaalsContact C-N 3.25Å; P358-E360 HydrophobicContact CB-CG 4.29Å; P358-E360 PolarHBondContact O-N 2.96Å |
| 361 | S | 97.3 | Very high | 96.6 | Very high | 44 Ų | 44 | 41.4 Ų | 41.4 | 31% | 0.308 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -82.5 | -13.5 | 176.7 | -62.4 | 0 | 0 | 0 | 0 | 113.3 | P358 M359 Q363 | P358-S361 WeakPolarHBondContact CG-OG 3.43Å; P358-S361 WeakPolarHBondContact O-CB 3.45Å; P358-S361 PolarHBondContact O-N 3.06Å; M359-S361 PolarHBondContact O-N 3.37Å; S361-Q363 PolarHBondContact O-NE2 3.32Å; S361-Q363 VanDerWaalsContact O-NE2 3.09Å; S361-Q363 PolarHBondContact O-OE1 3.05Å |
| 362 | L | 98 | Very high | 96.7 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.016 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 121.5 | 177.4 | 177 | 60.3 | 0 | 0 | 0 | 110.3 | V214 L227 F350 M354 F357 M359 V365 K387 | V214-L362 HydrophobicContact CB-CD1 4.18Å; V214-L362 HydrophobicContact CG2-CD1 3.65Å; V214-L362 HydrophobicContact CG2-CD2 4.03Å; L227-L362 HydrophobicContact CD1-CD1 4.36Å; F350-L362 HydrophobicContact CZ-CD2 4.32Å; M354-L362 HydrophobicContact CE-CB 4.34Å; M354-L362 HydrophobicContact CE-CD2 3.98Å; M354-L362 HydrophobicContact SD-CD2 4.41Å; F357-L362 HydrophobicContact CE1-CB 4.17Å; M359-L362 WeakPolarHBondContact O-CB 3.4Å; M359-L362 PolarHBondContact O-N 3.1Å; M359-L362 HydrophobicContact SD-CD2 4.13Å; L362-V365 HydrophobicContact CD2-CG2 3.94Å; L362-K387 VanDerWaalsContact O-CE 3.27Å; L362-K387 WeakPolarHBondContact O-CE 3.44Å; L362-K387 PolarHBondContact O-NZ 3.25Å |
| 363 | Q | 97.1 | Very high | 96.7 | Very high | 66 Ų | 66 | 41.5 Ų | 41.5 | 31% | 0.308 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | -57.1 | 178.7 | -78.3 | 61.8 | 36.8 | 0 | 0 | 110.9 | Q211 Y212 Y213 S361 | Q211-Q363 VanDerWaalsContact OE1-NE2 3.12Å; Y212-Q363 VanDerWaalsContact CA-OE1 3.29Å; Y212-Q363 WeakPolarHBondContact O-CB 3.4Å; Y212-Q363 PolarHBondContact O-N 2.74Å; Y212-Q363 PolarHBondContact O-OE1 2.88Å; Y213-Q363 HydrophobicContact CD1-CB 4.32Å; Y213-Q363 HydrophobicContact CE1-CB 3.89Å; Y213-Q363 HydrophobicContact CE2-CB 4.44Å; S361-Q363 PolarHBondContact O-NE2 3.32Å; S361-Q363 VanDerWaalsContact O-NE2 3.09Å; S361-Q363 PolarHBondContact O-OE1 3.05Å |
| 364 | Q | 97.2 | Very high | 96.8 | Very high | 56 Ų | 56 | 41.5 Ų | 41.5 | 26% | 0.262 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 153.5 | -173 | -59.4 | 176 | -9.5 | 0 | 0 | 112.1 | Y213 V214 H391 | Y213-Q364 HydrophobicContact CD1-CB 3.92Å; Y213-Q364 HydrophobicContact CD1-CG 4.4Å; Y213-Q364 HydrophobicContact CE1-CB 4.19Å; Y213-Q364 HydrophobicContact CE1-CG 4.15Å; V214-Q364 PolarHBondContact N-O 3.33Å; Q364-H391 HydrophobicContact CB-CB 4.48Å; Q364-H391 VanDerWaalsContact CD-NE2 3.28Å; Q364-H391 PolarHBondContact NE2-CD2 3.01Å; Q364-H391 PolarHBondContact NE2-NE2 2.91Å; Q364-H391 PolarHBondContact OE1-CD2 2.83Å; Q364-H391 VanDerWaalsContact OE1-CD2 3.24Å |
| 365 | V | 98.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 118.6 | 164.5 | -178.3 | 0 | 0 | 0 | 0 | 108.4 | V214 F216 F350 L362 K387 L390 H391 | V214-V365 HydrophobicContact CB-CG1 4.49Å; V214-V365 HydrophobicContact CB-CG2 4.25Å; V214-V365 HydrophobicContact CG1-CG1 4.17Å; V214-V365 CarbonylContact O-C 3.59Å; V214-V365 WeakPolarHBondContact O-CA 3.48Å; F216-V365 HydrophobicContact CB-CG1 4.33Å; F350-V365 HydrophobicContact CE2-CG2 4.01Å; L362-V365 HydrophobicContact CD2-CG2 3.94Å; V365-K387 HydrophobicContact CG2-CG 4.37Å; V365-L390 HydrophobicContact CB-CD2 3.85Å; V365-L390 HydrophobicContact CG1-CD2 3.88Å; V365-H391 PolarHBondContact O-N 2.86Å |
| 366 | I | 98.3 | Very high | 97 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 125.7 | -176.3 | -59.6 | 165.7 | 0 | 0 | 0 | 108.6 | F198 Y213 V214 F215 F216 M368 H391 V394 | F198-I366 HydrophobicContact CD2-CD1 3.78Å; F198-I366 HydrophobicContact CE1-CD1 4.28Å; F198-I366 HydrophobicContact CE2-CD1 3.47Å; F198-I366 VanDerWaalsContact CE2-CD1 3.47Å; F198-I366 HydrophobicContact CG-CD1 4.29Å; F198-I366 HydrophobicContact CZ-CD1 3.74Å; Y213-I366 HydrophobicContact CD1-CD1 3.99Å; V214-I366 PolarHBondContact O-N 3.41Å; F215-I366 WeakPolarHBondContact CA-O 3.27Å; F215-I366 HydrophobicContact CD1-CB 3.93Å; F215-I366 HydrophobicContact CD1-CD1 4.12Å; F215-I366 HydrophobicContact CD1-CG2 3.96Å; F215-I366 HydrophobicContact CE1-CB 4.14Å; F215-I366 HydrophobicContact CE1-CD1 3.49Å; F215-I366 VanDerWaalsContact CE1-CD1 3.49Å; F215-I366 HydrophobicContact CE1-CG1 4.42Å; F215-I366 HydrophobicContact CE1-CG2 4.08Å; F215-I366 HydrophobicContact CE2-CD1 4.49Å; F215-I366 HydrophobicContact CZ-CD1 3.7Å; F216-I366 PolarHBondContact N-O 3.48Å; I366-M368 HydrophobicContact CG2-SD 4.37Å; I366-H391 WeakPolarHBondContact CA-O 3.47Å; I366-H391 HydrophobicContact CG1-CB 4.15Å; I366-V394 HydrophobicContact CG2-CB 4.41Å; I366-V394 HydrophobicContact CG2-CG2 4.14Å |
| 367 | L | 98.2 | Very high | 97.3 | Very high | 8 Ų | 8 | 35.8 Ų | 35.8 | 4% | 0.042 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 133.2 | -177.7 | -60.1 | -179.4 | 0 | 0 | 0 | 112.1 | T372 Q378 L381 L390 H391 | L367-T372 HydrophobicContact CB-CG2 4.31Å; L367-T372 HydrophobicContact CD2-CG2 4.09Å; L367-Q378 HydrophobicContact CD1-CG 4.01Å; L367-L381 HydrophobicContact CD2-CD1 3.66Å; L367-L390 HydrophobicContact CD1-CB 3.78Å; L367-L390 HydrophobicContact CD1-CD1 3.94Å; L367-L390 HydrophobicContact CD1-CG 4.48Å; L367-L390 HydrophobicContact CD2-CB 4.34Å; L367-L390 HydrophobicContact CD2-CD1 4.1Å; L367-L390 HydrophobicContact CG-CB 3.95Å; L367-L390 HydrophobicContact CG-CD1 4.39Å; L367-H391 PolarHBondContact N-O 3.23Å |
| 368 | M | 97.5 | Very high | 97.3 | Very high | 5 Ų | 5 | 35.9 Ų | 35.9 | 3% | 0.025 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 159.8 | 177.1 | -58.2 | -61.1 | -60.1 | 0 | 0 | 110.1 | V194 F215 F216 D217 I218 I366 T372 V394 S396 A399 | V194-M368 HydrophobicContact CB-CE 4.18Å; V194-M368 HydrophobicContact CG1-CE 3.41Å; V194-M368 VanDerWaalsContact CG1-CE 3.41Å; V194-M368 HydrophobicContact CG1-CG 4.01Å; V194-M368 HydrophobicContact CG1-SD 3.7Å; V194-M368 HydrophobicContact CG2-CE 3.61Å; F215-M368 HydrophobicContact CD1-CG 4.46Å; F216-M368 PolarHBondContact O-N 3.46Å; D217-M368 WeakPolarHBondContact CA-O 3.34Å; D217-M368 HydrophobicContact CB-CB 3.72Å; D217-M368 VanDerWaalsContact OD1-C 3.29Å; I218-M368 PolarHBondContact N-O 2.89Å; I366-M368 HydrophobicContact CG2-SD 4.37Å; M368-T372 WeakPolarHBondContact O-CG2 3.35Å; M368-T372 PolarHBondContact O-OG1 2.95Å; M368-V394 HydrophobicContact CE-CG1 4.2Å; M368-V394 HydrophobicContact SD-CB 4.13Å; M368-V394 HydrophobicContact SD-CG1 4.03Å; M368-S396 VanDerWaalsContact CE-CA 3.48Å; M368-S396 WeakPolarHBondContact CE-O 3.48Å; M368-A399 HydrophobicContact CE-CB 4.24Å |
| 369 | G | 95.8 | Very high | 97.4 | Very high | 11 Ų | 11 | 36.4 Ų | 36.4 | 11% | 0.113 | 19% | 0.192 | C | C | . | . | S | Bend | trans | 77.3 | 160 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | D217 I218 G371 T372 S396 | D217-G369 WeakPolarHBondContact OD1-CA 3.29Å; D217-G369 PolarHBondContact OD1-N 3.14Å; D217-G369 VanDerWaalsContact OD1-N 3.12Å; I218-G369 CarbonylContact O-C 3.59Å; I218-G369 WeakPolarHBondContact O-CA 3.26Å; G369-G371 VanDerWaalsContact C-N 3.34Å; G369-G371 PolarHBondContact O-N 2.84Å; G369-T372 PolarHBondContact O-OG1 3.47Å; G369-S396 PolarHBondContact N-OG 3.22Å |
| 370 | G | 94.8 | Very high | 97.5 | Very high | 29 Ų | 29 | 35 Ų | 35 | 30% | 0.299 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -67.9 | -30.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | I218 T372 R373 | I218-G370 PolarHBondContact O-N 2.83Å; G370-T372 VanDerWaalsContact C-N 3.32Å; G370-T372 PolarHBondContact O-N 3.4Å; G370-R373 WeakPolarHBondContact O-CB 3.28Å; G370-R373 PolarHBondContact O-N 3.22Å |
| 371 | G | 97.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -69.7 | -26.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | I218 G369 R373 I374 | I218-G371 PolarHBondContact O-N 2.83Å; G369-G371 VanDerWaalsContact C-N 3.34Å; G369-G371 PolarHBondContact O-N 2.84Å; G371-R373 PolarHBondContact O-N 3.24Å; G371-R373 VanDerWaalsContact O-N 3.08Å; G371-I374 WeakPolarHBondContact O-CB 3.45Å; G371-I374 WeakPolarHBondContact O-CG1 3.23Å; G371-I374 PolarHBondContact O-N 2.93Å; G371-I374 VanDerWaalsContact O-N 3.07Å |
| 372 | T | 97.4 | Very high | 97.7 | Very high | 8 Ų | 8 | 28.8 Ų | 28.8 | 5% | 0.049 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -67.3 | -9.9 | 176.3 | 58.9 | 0 | 0 | 0 | 0 | 113.1 | F216 I218 L367 M368 G369 G370 I374 Q378 | F216-T372 HydrophobicContact CD1-CG2 4.44Å; I218-T372 HydrophobicContact CB-CG2 4.23Å; I218-T372 HydrophobicContact CD1-CG2 4.33Å; I218-T372 HydrophobicContact CG1-CG2 3.96Å; L367-T372 HydrophobicContact CB-CG2 4.31Å; L367-T372 HydrophobicContact CD2-CG2 4.09Å; M368-T372 WeakPolarHBondContact O-CG2 3.35Å; M368-T372 PolarHBondContact O-OG1 2.95Å; G369-T372 PolarHBondContact O-OG1 3.47Å; G370-T372 VanDerWaalsContact C-N 3.32Å; G370-T372 PolarHBondContact O-N 3.4Å; T372-I374 PolarHBondContact O-N 3.41Å; T372-Q378 VanDerWaalsContact O-CG 3.23Å; T372-Q378 WeakPolarHBondContact O-CG 3.48Å; T372-Q378 PolarHBondContact O-NE2 3.05Å |
| 373 | R | 96.5 | Very high | 97.6 | Very high | 114 Ų | 114 | 34.7 Ų | 34.7 | 43% | 0.43 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -71.7 | -17.3 | 172.1 | -61.8 | -176.2 | 178.4 | 111 | 4.2 | 113.1 | G370 G371 P375 Q378 D397 | G370-R373 WeakPolarHBondContact O-CB 3.28Å; G370-R373 PolarHBondContact O-N 3.22Å; G371-R373 PolarHBondContact O-N 3.24Å; G371-R373 VanDerWaalsContact O-N 3.08Å; R373-P375 WeakPolarHBondContact O-CD 3.45Å; R373-Q378 PolarHBondContact O-NE2 2.85Å; R373-D397 IonicContact NH2-OD1 2.89Å; R373-D397 PolarHBondContact NH2-OD1 3.45Å |
| 374 | I | 98.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -69 | 121 | 178.3 | -59.6 | 167.1 | 0 | 0 | 0 | 109.4 | F263 L304 M335 F343 G371 T372 K376 I377 Q378 | F263-I374 HydrophobicContact CD1-CD1 4.39Å; F263-I374 HydrophobicContact CD2-CD1 4.26Å; F263-I374 HydrophobicContact CE1-CD1 4.41Å; F263-I374 HydrophobicContact CE2-CD1 4.28Å; F263-I374 HydrophobicContact CG-CD1 4.32Å; F263-I374 HydrophobicContact CZ-CD1 4.36Å; L304-I374 HydrophobicContact CD1-CD1 3.94Å; L304-I374 HydrophobicContact CD1-CG1 4.28Å; M335-I374 HydrophobicContact CE-CG2 4.28Å; F343-I374 HydrophobicContact CE1-CG2 3.89Å; F343-I374 HydrophobicContact CZ-CG2 4.35Å; G371-I374 WeakPolarHBondContact O-CB 3.45Å; G371-I374 WeakPolarHBondContact O-CG1 3.23Å; G371-I374 PolarHBondContact O-N 2.93Å; G371-I374 VanDerWaalsContact O-N 3.07Å; T372-I374 PolarHBondContact O-N 3.41Å; I374-K376 PolarHBondContact O-N 3.45Å; I374-I377 HydrophobicContact CB-CB 4.39Å; I374-I377 HydrophobicContact CB-CD1 4.07Å; I374-I377 HydrophobicContact CB-CG1 4.02Å; I374-I377 HydrophobicContact CD1-CD1 3.9Å; I374-I377 HydrophobicContact CG2-CG1 4.17Å; I374-I377 WeakPolarHBondContact O-CB 3.41Å; I374-I377 PolarHBondContact O-N 3.12Å; I374-I377 VanDerWaalsContact O-N 3.14Å; I374-Q378 PolarHBondContact O-N 2.85Å |
| 375 | P | 98 | Very high | 97.5 | Very high | 36 Ų | 36 | 31 Ų | 31 | 23% | 0.234 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.3 | -42.1 | -174.5 | -29.7 | 37 | 0 | 0 | 0 | 114.4 | R373 I377 Q378 S379 | R373-P375 WeakPolarHBondContact O-CD 3.45Å; P375-I377 VanDerWaalsContact C-N 3.26Å; P375-I377 PolarHBondContact O-N 3.34Å; P375-Q378 WeakPolarHBondContact O-CB 3.48Å; P375-Q378 PolarHBondContact O-N 2.49Å; P375-Q378 VanDerWaalsContact O-N 3.1Å; P375-S379 PolarHBondContact O-N 3.5Å; P375-S379 PolarHBondContact O-OG 3.18Å |
| 376 | K | 98.3 | Very high | 97.4 | Very high | 88 Ų | 88 | 38.2 Ų | 38.2 | 38% | 0.383 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -59.8 | -35.4 | 179.2 | -175.1 | 60.4 | 175.5 | 178.5 | 0 | 113.2 | E336 F343 I374 S379 I380 | E336-K376 HydrophobicContact CG-CB 4.22Å; F343-K376 HydrophobicContact CB-CG 4.45Å; F343-K376 HydrophobicContact CD1-CB 3.97Å; F343-K376 HydrophobicContact CD1-CG 3.64Å; F343-K376 HydrophobicContact CD2-CG 4.1Å; F343-K376 HydrophobicContact CE1-CB 3.71Å; F343-K376 HydrophobicContact CE1-CG 3.85Å; F343-K376 HydrophobicContact CE2-CG 4.31Å; F343-K376 HydrophobicContact CG-CG 3.79Å; F343-K376 HydrophobicContact CZ-CB 4.09Å; F343-K376 HydrophobicContact CZ-CG 4.18Å; I374-K376 PolarHBondContact O-N 3.45Å; K376-S379 PolarHBondContact O-N 3.05Å; K376-I380 HydrophobicContact CG-CD1 4.4Å; K376-I380 WeakPolarHBondContact O-CG1 3.38Å; K376-I380 PolarHBondContact O-N 3.13Å; K376-I380 VanDerWaalsContact O-N 3.15Å |
| 377 | I | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.5 | -44.7 | 175.7 | -64.7 | -169.4 | 0 | 0 | 0 | 110.4 | I218 F263 F343 V346 I374 P375 S379 I380 L381 | I218-I377 HydrophobicContact CD1-CD1 3.57Å; I218-I377 HydrophobicContact CD1-CG2 3.54Å; F263-I377 HydrophobicContact CE2-CD1 4.42Å; F263-I377 HydrophobicContact CZ-CD1 4.14Å; F343-I377 HydrophobicContact CD1-CG1 3.86Å; F343-I377 HydrophobicContact CE1-CG1 3.92Å; V346-I377 HydrophobicContact CG1-CG2 4.03Å; V346-I377 HydrophobicContact CG2-CD1 4.18Å; V346-I377 HydrophobicContact CG2-CG1 4Å; V346-I377 HydrophobicContact CG2-CG2 4.29Å; I374-I377 HydrophobicContact CB-CB 4.39Å; I374-I377 HydrophobicContact CB-CD1 4.07Å; I374-I377 HydrophobicContact CB-CG1 4.02Å; I374-I377 HydrophobicContact CD1-CD1 3.9Å; I374-I377 HydrophobicContact CG2-CG1 4.17Å; I374-I377 WeakPolarHBondContact O-CB 3.41Å; I374-I377 PolarHBondContact O-N 3.12Å; I374-I377 VanDerWaalsContact O-N 3.14Å; P375-I377 VanDerWaalsContact C-N 3.26Å; P375-I377 PolarHBondContact O-N 3.34Å; I377-S379 VanDerWaalsContact C-N 3.33Å; I377-S379 PolarHBondContact O-N 2.88Å; I377-I380 PolarHBondContact O-N 2.68Å; I377-L381 HydrophobicContact CG2-CD1 4.08Å; I377-L381 WeakPolarHBondContact O-CG 3.31Å; I377-L381 PolarHBondContact O-N 3.36Å |
| 378 | Q | 98.1 | Very high | 97.1 | Very high | 38 Ų | 38 | 45.4 Ų | 45.4 | 18% | 0.178 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.1 | -41.2 | 177.2 | -67.4 | 173.3 | 46.2 | 0 | 0 | 111.6 | L367 T372 R373 I374 P375 I380 L381 I382 L390 R392 | L367-Q378 HydrophobicContact CD1-CG 4.01Å; T372-Q378 VanDerWaalsContact O-CG 3.23Å; T372-Q378 WeakPolarHBondContact O-CG 3.48Å; T372-Q378 PolarHBondContact O-NE2 3.05Å; R373-Q378 PolarHBondContact O-NE2 2.85Å; I374-Q378 PolarHBondContact O-N 2.85Å; P375-Q378 WeakPolarHBondContact O-CB 3.48Å; P375-Q378 PolarHBondContact O-N 2.49Å; P375-Q378 VanDerWaalsContact O-N 3.1Å; Q378-I380 VanDerWaalsContact C-N 3.33Å; Q378-I380 PolarHBondContact O-N 3.11Å; Q378-L381 PolarHBondContact O-N 2.91Å; Q378-I382 WeakPolarHBondContact O-CG1 3.27Å; Q378-I382 PolarHBondContact O-N 3.2Å; Q378-L390 HydrophobicContact CB-CD1 3.83Å; Q378-L390 HydrophobicContact CG-CD1 4.13Å; Q378-L390 WeakPolarHBondContact O-CD1 3.21Å; Q378-R392 VanDerWaalsContact CD-NH2 3.3Å; Q378-R392 VanDerWaalsContact NE2-NH2 3.2Å |
| 379 | S | 98 | Very high | 97 | Very high | 68 Ų | 68 | 50.7 Ų | 50.7 | 48% | 0.476 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.3 | -43.1 | 175.5 | -56.7 | 0 | 0 | 0 | 0 | 112.3 | P375 K376 I377 I382 E383 | P375-S379 PolarHBondContact O-N 3.5Å; P375-S379 PolarHBondContact O-OG 3.18Å; K376-S379 PolarHBondContact O-N 3.05Å; I377-S379 VanDerWaalsContact C-N 3.33Å; I377-S379 PolarHBondContact O-N 2.88Å; S379-I382 PolarHBondContact O-N 2.9Å; S379-E383 WeakPolarHBondContact O-CB 3.21Å; S379-E383 PolarHBondContact O-N 3.19Å; S379-E383 VanDerWaalsContact O-N 3.11Å |
| 380 | I | 98.4 | Very high | 97.1 | Very high | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.2 | -44.8 | 177.5 | -69 | 168.3 | 0 | 0 | 0 | 110.6 | F343 V346 R347 K376 I377 Q378 I382 E383 H384 | F343-I380 HydrophobicContact CB-CD1 3.72Å; F343-I380 WeakPolarHBondContact O-CD1 3.48Å; V346-I380 HydrophobicContact CB-CG2 4.21Å; V346-I380 HydrophobicContact CG1-CB 4.48Å; V346-I380 HydrophobicContact CG1-CG2 3.99Å; R347-I380 HydrophobicContact CG-CG2 3.82Å; K376-I380 HydrophobicContact CG-CD1 4.4Å; K376-I380 WeakPolarHBondContact O-CG1 3.38Å; K376-I380 PolarHBondContact O-N 3.13Å; K376-I380 VanDerWaalsContact O-N 3.15Å; I377-I380 PolarHBondContact O-N 2.68Å; Q378-I380 VanDerWaalsContact C-N 3.33Å; Q378-I380 PolarHBondContact O-N 3.11Å; I380-I382 PolarHBondContact O-N 3.05Å; I380-E383 WeakPolarHBondContact O-CB 3.43Å; I380-E383 PolarHBondContact O-N 2.98Å; I380-H384 WeakPolarHBondContact O-CB 3.5Å; I380-H384 PolarHBondContact O-N 3.41Å; I380-H384 PolarHBondContact O-ND1 3.35Å |
| 381 | L | 98.3 | Very high | 97.2 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.3 | -38.8 | 179.4 | -70.4 | 172.9 | 0 | 0 | 0 | 112.7 | F216 V346 L367 I377 Q378 H384 S385 L390 | F216-L381 HydrophobicContact CB-CD1 4.49Å; F216-L381 HydrophobicContact CD1-CD1 3.68Å; F216-L381 HydrophobicContact CD1-CD2 3.96Å; F216-L381 HydrophobicContact CD1-CG 4.45Å; F216-L381 HydrophobicContact CD2-CD2 3.82Å; F216-L381 HydrophobicContact CE1-CD1 4.1Å; F216-L381 HydrophobicContact CE1-CD2 3.93Å; F216-L381 HydrophobicContact CE2-CD2 3.79Å; F216-L381 HydrophobicContact CG-CD1 4.06Å; F216-L381 HydrophobicContact CG-CD2 3.9Å; F216-L381 HydrophobicContact CZ-CD2 3.85Å; V346-L381 HydrophobicContact CG1-CD2 4.07Å; V346-L381 HydrophobicContact CG1-CG 4.15Å; L367-L381 HydrophobicContact CD2-CD1 3.66Å; I377-L381 HydrophobicContact CG2-CD1 4.08Å; I377-L381 WeakPolarHBondContact O-CG 3.31Å; I377-L381 PolarHBondContact O-N 3.36Å; Q378-L381 PolarHBondContact O-N 2.91Å; L381-H384 PolarHBondContact O-N 2.74Å; L381-S385 WeakPolarHBondContact O-CB 3.44Å; L381-S385 PolarHBondContact O-N 2.89Å; L381-S385 PolarHBondContact O-OG 3.44Å; L381-L390 HydrophobicContact CB-CD1 3.92Å; L381-L390 HydrophobicContact CB-CD2 4.07Å |
| 382 | I | 98.2 | Very high | 96.9 | Very high | 67 Ų | 67 | 59.1 Ų | 59.1 | 34% | 0.344 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.1 | -49.8 | 173 | -76.2 | 168.5 | 0 | 0 | 0 | 110.3 | Q378 S379 I380 Q386 K387 L390 | Q378-I382 WeakPolarHBondContact O-CG1 3.27Å; Q378-I382 PolarHBondContact O-N 3.2Å; S379-I382 PolarHBondContact O-N 2.9Å; I380-I382 PolarHBondContact O-N 3.05Å; I382-Q386 PolarHBondContact O-N 3.4Å; I382-Q386 VanDerWaalsContact O-N 3.15Å; I382-K387 WeakPolarHBondContact CG2-O 3.27Å; I382-L390 HydrophobicContact CD1-CD1 4.28Å; I382-L390 HydrophobicContact CD1-CG 4.39Å; I382-L390 HydrophobicContact CG1-CD1 3.79Å; I382-L390 HydrophobicContact CG1-CD2 4.3Å; I382-L390 HydrophobicContact CG1-CG 3.69Å |
| 383 | E | 97 | Very high | 96.2 | Very high | 128 Ų | 128 | 60.7 Ų | 60.7 | 60% | 0.598 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -59.9 | -48.4 | 178.7 | -175.5 | -171.4 | 163.8 | 0 | 0 | 111.7 | S379 I380 Q386 | S379-E383 WeakPolarHBondContact O-CB 3.21Å; S379-E383 PolarHBondContact O-N 3.19Å; S379-E383 VanDerWaalsContact O-N 3.11Å; I380-E383 WeakPolarHBondContact O-CB 3.43Å; I380-E383 PolarHBondContact O-N 2.98Å; E383-Q386 PolarHBondContact O-N 3Å |
| 384 | H | 94.9 | Very high | 95.9 | Very high | 45 Ų | 45 | 55.9 Ų | 55.9 | 21% | 0.208 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -75.9 | -33.5 | -173.2 | -73.3 | 59.6 | 0 | 0 | 0 | 113.1 | R347 F350 I380 L381 Q386 | R347-H384 WeakPolarHBondContact CD-NE2 3.49Å; R347-H384 VanDerWaalsContact CG-NE2 3.3Å; R347-H384 WeakPolarHBondContact CG-NE2 3.4Å; R347-H384 PolarHBondContact NE-CE1 2.91Å; R347-H384 PolarHBondContact NE-NE2 3.21Å; F350-H384 HydrophobicContact CD1-CB 4.08Å; F350-H384 HydrophobicContact CE1-CB 4.36Å; F350-H384 WeakPolarHBondContact CE1-O 3.37Å; I380-H384 WeakPolarHBondContact O-CB 3.5Å; I380-H384 PolarHBondContact O-N 3.41Å; I380-H384 PolarHBondContact O-ND1 3.35Å; L381-H384 PolarHBondContact O-N 2.74Å; H384-Q386 VanDerWaalsContact C-N 3.33Å |
| 385 | S | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -84.3 | -8.6 | 178.5 | 67.1 | 0 | 0 | 0 | 0 | 114 | F350 M359 L381 K387 | F350-S385 VanDerWaalsContact CZ-CA 3.5Å; F350-S385 VanDerWaalsContact CZ-CB 3.45Å; M359-S385 VanDerWaalsContact SD-O 3.32Å; L381-S385 WeakPolarHBondContact O-CB 3.44Å; L381-S385 PolarHBondContact O-N 2.89Å; L381-S385 PolarHBondContact O-OG 3.44Å; S385-K387 PolarHBondContact O-N 3.32Å; S385-K387 VanDerWaalsContact O-N 3.07Å |
| 386 | Q | 96 | Very high | 95.3 | Very high | 151 Ų | 151 | 60 Ų | 60 | 71% | 0.706 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 27.3 | -175.5 | -52.9 | 176.2 | 14.1 | 0 | 0 | 112.7 | M359 I382 E383 H384 | M359-Q386 HydrophobicContact CG-CB 4.31Å; M359-Q386 HydrophobicContact CG-CG 4.44Å; I382-Q386 PolarHBondContact O-N 3.4Å; I382-Q386 VanDerWaalsContact O-N 3.15Å; E383-Q386 PolarHBondContact O-N 3Å; H384-Q386 VanDerWaalsContact C-N 3.33Å |
| 387 | K | 95.7 | Very high | 95 | Very high | 46 Ų | 46 | 57.8 Ų | 57.8 | 20% | 0.2 | 31% | 0.305 | C | S | . | . | trans | -98.9 | 139.4 | 175.4 | -59.8 | -51.1 | -178.1 | -171.7 | 0 | 109.5 | L362 V365 I382 S385 E389 | L362-K387 VanDerWaalsContact O-CE 3.27Å; L362-K387 WeakPolarHBondContact O-CE 3.44Å; L362-K387 PolarHBondContact O-NZ 3.25Å; V365-K387 HydrophobicContact CG2-CG 4.37Å; I382-K387 WeakPolarHBondContact CG2-O 3.27Å; S385-K387 PolarHBondContact O-N 3.32Å; S385-K387 VanDerWaalsContact O-N 3.07Å; K387-E389 PolarHBondContact O-N 3.15Å | ||
| 388 | S | 94.5 | Very high | 94.9 | Very high | 115 Ų | 115 | 58.2 Ų | 58.2 | 80% | 0.804 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -66.1 | -25 | 174.7 | 52.5 | 0 | 0 | 0 | 0 | 112.9 | ||
| 389 | E | 96.3 | Very high | 94.9 | Very high | 116 Ų | 116 | 56.4 Ų | 56.4 | 54% | 0.542 | 30% | 0.299 | S | S | . | . | trans | -147.1 | 151.6 | -177.2 | 63.9 | -177.9 | -177.2 | 0 | 0 | 112.8 | K387 H391 | K387-E389 PolarHBondContact O-N 3.15Å; E389-H391 IonicContact OE1-CE1 3.68Å; E389-H391 IonicContact OE1-NE2 2.81Å | ||
| 390 | L | 97.8 | Very high | 94.9 | Very high | 24 Ų | 24 | 53.6 Ų | 53.6 | 13% | 0.126 | 28% | 0.279 | C | S | . | . | trans | -104.7 | 135.2 | 174.5 | -60.1 | 169.8 | 0 | 0 | 0 | 109.4 | V365 L367 Q378 L381 I382 | V365-L390 HydrophobicContact CB-CD2 3.85Å; V365-L390 HydrophobicContact CG1-CD2 3.88Å; L367-L390 HydrophobicContact CD1-CB 3.78Å; L367-L390 HydrophobicContact CD1-CD1 3.94Å; L367-L390 HydrophobicContact CD1-CG 4.48Å; L367-L390 HydrophobicContact CD2-CB 4.34Å; L367-L390 HydrophobicContact CD2-CD1 4.1Å; L367-L390 HydrophobicContact CG-CB 3.95Å; L367-L390 HydrophobicContact CG-CD1 4.39Å; Q378-L390 HydrophobicContact CB-CD1 3.83Å; Q378-L390 HydrophobicContact CG-CD1 4.13Å; Q378-L390 WeakPolarHBondContact O-CD1 3.21Å; L381-L390 HydrophobicContact CB-CD1 3.92Å; L381-L390 HydrophobicContact CB-CD2 4.07Å; I382-L390 HydrophobicContact CD1-CD1 4.28Å; I382-L390 HydrophobicContact CD1-CG 4.39Å; I382-L390 HydrophobicContact CG1-CD1 3.79Å; I382-L390 HydrophobicContact CG1-CD2 4.3Å; I382-L390 HydrophobicContact CG1-CG 3.69Å | ||
| 391 | H | 96.4 | Very high | 95 | Very high | 45 Ų | 45 | 53.5 Ų | 53.5 | 21% | 0.208 | 28% | 0.279 | C | S | . | . | B | Isolated β-bridge | trans | -92 | 145.1 | -170.9 | -74.1 | 65.9 | 0 | 0 | 0 | 112.3 | Q364 V365 I366 L367 E389 | Q364-H391 HydrophobicContact CB-CB 4.48Å; Q364-H391 VanDerWaalsContact CD-NE2 3.28Å; Q364-H391 PolarHBondContact NE2-CD2 3.01Å; Q364-H391 PolarHBondContact NE2-NE2 2.91Å; Q364-H391 PolarHBondContact OE1-CD2 2.83Å; Q364-H391 VanDerWaalsContact OE1-CD2 3.24Å; V365-H391 PolarHBondContact O-N 2.86Å; I366-H391 WeakPolarHBondContact CA-O 3.47Å; I366-H391 HydrophobicContact CG1-CB 4.15Å; L367-H391 PolarHBondContact N-O 3.23Å; E389-H391 IonicContact OE1-CE1 3.68Å; E389-H391 IonicContact OE1-NE2 2.81Å |
| 392 | R | 91.5 | Very high | 95 | Very high | 149 Ų | 149 | 55.3 Ų | 55.3 | 56% | 0.562 | 29% | 0.288 | S | S | * | . | trans | -124.7 | 30.8 | 177.8 | -57.1 | 178 | -173.2 | -126.4 | -2.3 | 111.4 | Q378 V394 | Q378-R392 VanDerWaalsContact CD-NH2 3.3Å; Q378-R392 VanDerWaalsContact NE2-NH2 3.2Å; R392-V394 PolarHBondContact O-N 3.45Å | ||
| 393 | G | 82.6 | Confident | 95 | Very high | 40 Ų | 40 | 52.1 Ų | 52.1 | 41% | 0.412 | 27% | 0.272 | S | S | . | . | trans | -69.9 | 4.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | R202 | R202-G393 PolarHBondContact NH2-O 3.43Š| ||
| 394 | V | 90.2 | Very high | 95 | Very high | 13 Ų | 13 | 46 Ų | 46 | 8% | 0.079 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -128.9 | 136.4 | -179.5 | -179.7 | 0 | 0 | 0 | 0 | 108 | V194 F198 F215 I366 M368 R392 S396 A399 | V194-V394 HydrophobicContact CG1-CG1 4.44Å; F198-V394 HydrophobicContact CB-CG2 3.92Å; F198-V394 HydrophobicContact CD2-CG2 3.49Å; F198-V394 VanDerWaalsContact CD2-CG2 3.49Å; F198-V394 HydrophobicContact CE2-CG2 4.47Å; F198-V394 HydrophobicContact CG-CG2 4.16Å; F215-V394 HydrophobicContact CE1-CG2 4.46Å; I366-V394 HydrophobicContact CG2-CB 4.41Å; I366-V394 HydrophobicContact CG2-CG2 4.14Å; M368-V394 HydrophobicContact CE-CG1 4.2Å; M368-V394 HydrophobicContact SD-CB 4.13Å; M368-V394 HydrophobicContact SD-CG1 4.03Å; R392-V394 PolarHBondContact O-N 3.45Å; V394-S396 PolarHBondContact O-N 3.46Å; V394-A399 HydrophobicContact CG1-CB 3.18Å |
| 395 | N | 93.5 | Very high | 95.2 | Very high | 90 Ų | 90 | 43.9 Ų | 43.9 | 48% | 0.481 | 23% | 0.233 | S | C | . | . | trans | -68.4 | 103.6 | 168.3 | -178.5 | -22 | 0 | 0 | 0 | 108.3 | D397 D398 A399 | N395-D397 PolarHBondContact O-N 3.42Å; N395-D397 VanDerWaalsContact O-N 3.1Å; N395-D397 PolarHBondContact OD1-N 3.28Å; N395-D398 HydrophobicContact CB-CB 4.22Å; N395-D398 PolarHBondContact ND2-OD2 2.9Å; N395-D398 PolarHBondContact O-N 2.9Å; N395-D398 VanDerWaalsContact O-N 3.1Å; N395-D398 PolarHBondContact OD1-N 2.9Å; N395-A399 WeakPolarHBondContact O-CB 3.4Å; N395-A399 PolarHBondContact O-N 3.16Å; N395-A399 VanDerWaalsContact O-N 3.12Å | ||
| 396 | S | 91 | Very high | 95.3 | Very high | 33 Ų | 33 | 44.3 Ų | 44.3 | 23% | 0.231 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -31.8 | -174.4 | 176.6 | 0 | 0 | 0 | 0 | 113.6 | M368 G369 V394 | M368-S396 VanDerWaalsContact CE-CA 3.48Å; M368-S396 WeakPolarHBondContact CE-O 3.48Å; G369-S396 PolarHBondContact N-OG 3.22Å; V394-S396 PolarHBondContact O-N 3.46Å |
| 397 | D | 92.4 | Very high | 95.4 | Very high | 42 Ų | 42 | 37.4 Ų | 37.4 | 23% | 0.225 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -24.4 | -175.6 | -65.7 | 14.5 | 0 | 0 | 0 | 111 | K31 K52 R373 N395 | K31-D397 WeakPolarHBondContact CD-O 2.95Å; K31-D397 WeakPolarHBondContact CE-O 3.39Å; K31-D397 PolarHBondContact NZ-O 3.47Å; K52-D397 IonicContact NZ-OD2 3.7Å; K52-D397 PolarHBondContact NZ-OD2 2.96Å; R373-D397 IonicContact NH2-OD1 2.89Å; R373-D397 PolarHBondContact NH2-OD1 3.45Å; N395-D397 PolarHBondContact O-N 3.42Å; N395-D397 VanDerWaalsContact O-N 3.1Å; N395-D397 PolarHBondContact OD1-N 3.28Å |
| 398 | D | 96.3 | Very high | 95.5 | Very high | 10 Ų | 10 | 35.2 Ų | 35.2 | 5% | 0.053 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | -23.5 | -172.3 | -72.2 | -13.3 | 0 | 0 | 0 | 113.9 | K31 I43 R51 N395 A400 A401 L402 | K31-D398 IonicContact NZ-OD1 3.37Å; K31-D398 PolarHBondContact NZ-OD1 3.23Å; I43-D398 HydrophobicContact CD1-CB 4.19Å; I43-D398 HydrophobicContact CG1-CB 4.17Å; R51-D398 IonicContact CZ-OD2 3.67Å; R51-D398 IonicContact NE-OD1 2.91Å; R51-D398 IonicContact NE-OD2 2.61Å; R51-D398 IonicContact NH2-OD1 3.27Å; R51-D398 IonicContact NH2-OD2 2.77Å; R51-D398 PolarHBondContact NH2-OD2 3Å; N395-D398 HydrophobicContact CB-CB 4.22Å; N395-D398 PolarHBondContact ND2-OD2 2.9Å; N395-D398 PolarHBondContact O-N 2.9Å; N395-D398 VanDerWaalsContact O-N 3.1Å; N395-D398 PolarHBondContact OD1-N 2.9Å; D398-A400 PolarHBondContact O-N 3.29Å; D398-A401 PolarHBondContact O-N 2.74Å; D398-L402 HydrophobicContact CB-CD1 3.95Å; D398-L402 HydrophobicContact CB-CG 4.44Å; D398-L402 WeakPolarHBondContact O-CG 3.47Å; D398-L402 PolarHBondContact O-N 3.26Å |
| 399 | A | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.1 | -37 | -163.5 | 0 | 0 | 0 | 0 | 0 | 115 | V194 N197 M368 V394 N395 L402 G403 | V194-A399 HydrophobicContact CB-CB 4.46Å; V194-A399 HydrophobicContact CG1-CB 4.33Å; V194-A399 HydrophobicContact CG2-CB 4.13Å; N197-A399 HydrophobicContact CB-CB 4.27Å; N197-A399 WeakPolarHBondContact CB-O 3.42Å; M368-A399 HydrophobicContact CE-CB 4.24Å; V394-A399 HydrophobicContact CG1-CB 3.18Å; N395-A399 WeakPolarHBondContact O-CB 3.4Å; N395-A399 PolarHBondContact O-N 3.16Å; N395-A399 VanDerWaalsContact O-N 3.12Å; A399-L402 PolarHBondContact O-N 3.5Å; A399-G403 PolarHBondContact O-N 3.14Å |
| 400 | A | 98.3 | Very high | 95.5 | Very high | 8 Ų | 8 | 27 Ų | 27 | 7% | 0.066 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.5 | -49.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | T160 A193 V194 D398 L402 G403 A404 | T160-A400 HydrophobicContact CG2-CB 4.26Å; A193-A400 HydrophobicContact CB-CB 4.47Å; A193-A400 WeakPolarHBondContact CB-O 3.43Å; V194-A400 HydrophobicContact CG2-CB 3.9Å; D398-A400 PolarHBondContact O-N 3.29Å; A400-L402 PolarHBondContact O-N 3.25Å; A400-G403 PolarHBondContact O-N 2.65Å; A400-A404 VanDerWaalsContact O-CB 3.27Å; A400-A404 WeakPolarHBondContact O-CB 3.37Å; A400-A404 PolarHBondContact O-N 3.4Å |
| 401 | A | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.3 | -41.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S22 D24 K31 A33 I43 D398 A404 V405 | S22-A401 PolarHBondContact OG-O 2.6Å; D24-A401 HydrophobicContact CB-CB 3.94Å; K31-A401 HydrophobicContact CB-CB 4.09Å; A33-A401 HydrophobicContact CB-CB 4.19Å; I43-A401 HydrophobicContact CD1-CB 3.88Å; D398-A401 PolarHBondContact O-N 2.74Å; A401-A404 PolarHBondContact O-N 3.2Å; A401-V405 PolarHBondContact O-N 3.16Å |
| 402 | L | 98.4 | Very high | 95.1 | Very high | 39 Ų | 39 | 26.9 Ų | 26.9 | 20% | 0.204 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -70.9 | -38.3 | 179 | -70.6 | 174.7 | 0 | 0 | 0 | 113.2 | A33 I43 N197 D398 A399 A400 A404 V405 Y406 | A33-L402 HydrophobicContact CB-CD2 4.36Å; I43-L402 HydrophobicContact CD1-CD2 3.87Å; I43-L402 HydrophobicContact CD1-CG 3.84Å; I43-L402 HydrophobicContact CG1-CD2 4.36Å; I43-L402 HydrophobicContact CG1-CG 4.49Å; N197-L402 WeakPolarHBondContact OD1-CB 3.14Å; D398-L402 HydrophobicContact CB-CD1 3.95Å; D398-L402 HydrophobicContact CB-CG 4.44Å; D398-L402 WeakPolarHBondContact O-CG 3.47Å; D398-L402 PolarHBondContact O-N 3.26Å; A399-L402 PolarHBondContact O-N 3.5Å; A400-L402 PolarHBondContact O-N 3.25Å; L402-A404 VanDerWaalsContact C-N 3.34Å; L402-V405 HydrophobicContact CD2-CG1 4.48Å; L402-V405 WeakPolarHBondContact O-CG1 3.4Å; L402-Y406 PolarHBondContact O-N 3.48Å; L402-Y406 VanDerWaalsContact O-N 3.12Å |
| 403 | G | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.1 | -40.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | A193 A399 A400 Y406 Q407 | A193-G403 WeakPolarHBondContact O-CA 3.38Å; A399-G403 PolarHBondContact O-N 3.14Å; A400-G403 PolarHBondContact O-N 2.65Å; G403-Y406 WeakPolarHBondContact O-CB 3.36Å; G403-Y406 PolarHBondContact O-N 3.46Å; G403-Q407 PolarHBondContact O-N 3.35Å |
| 404 | A | 98.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.3 | -41.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | V158 T160 I188 A400 A401 L402 Y406 Q407 A408 | V158-A404 HydrophobicContact CB-CB 4.49Å; V158-A404 WeakPolarHBondContact CB-O 3.48Å; V158-A404 HydrophobicContact CG1-CB 3.86Å; T160-A404 HydrophobicContact CG2-CB 3.89Å; I188-A404 HydrophobicContact CG2-CB 3.95Å; A400-A404 VanDerWaalsContact O-CB 3.27Å; A400-A404 WeakPolarHBondContact O-CB 3.37Å; A400-A404 PolarHBondContact O-N 3.4Å; A401-A404 PolarHBondContact O-N 3.2Å; L402-A404 VanDerWaalsContact C-N 3.34Å; A404-Y406 VanDerWaalsContact C-N 3.27Å; A404-Y406 PolarHBondContact O-N 3.07Å; A404-Q407 WeakPolarHBondContact O-CB 3.36Å; A404-Q407 PolarHBondContact O-N 2.81Å; A404-Q407 VanDerWaalsContact O-N 3.08Å; A404-A408 PolarHBondContact O-N 3.49Å |
| 405 | V | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -71.5 | -26.8 | 178.8 | 80.1 | 0 | 0 | 0 | 0 | 111.9 | A33 V35 M41 A401 L402 Q407 A408 A409 | A33-V405 HydrophobicContact CB-CB 3.81Å; A33-V405 HydrophobicContact CB-CG1 3.76Å; A33-V405 HydrophobicContact CB-CG2 4.23Å; V35-V405 HydrophobicContact CB-CG2 3.94Å; V35-V405 HydrophobicContact CG1-CG2 3.98Å; M41-V405 HydrophobicContact CB-CG1 3.75Å; M41-V405 HydrophobicContact CG-CG1 3.93Å; M41-V405 HydrophobicContact SD-CG1 4.05Å; A401-V405 PolarHBondContact O-N 3.16Å; L402-V405 HydrophobicContact CD2-CG1 4.48Å; L402-V405 WeakPolarHBondContact O-CG1 3.4Å; V405-Q407 VanDerWaalsContact C-N 3.33Å; V405-A408 HydrophobicContact CG2-CB 4.41Å; V405-A408 WeakPolarHBondContact O-CB 3.18Å; V405-A408 PolarHBondContact O-N 2.83Å; V405-A409 PolarHBondContact O-N 3.18Å |
| 406 | Y | 98.3 | Very high | 94.8 | Very high | 10 Ų | 10 | 35.4 Ų | 35.4 | 4% | 0.039 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.9 | -42.9 | 167.8 | 168.1 | -85.7 | 0 | 0 | 0 | 111.3 | M41 L196 L200 L402 G403 A404 A408 A409 F410 V417 T418 F420 | M41-Y406 HydrophobicContact CE-CD2 3.93Å; M41-Y406 HydrophobicContact CE-CG 4.43Å; M41-Y406 VanDerWaalsContact SD-CA 3.56Å; M41-Y406 HydrophobicContact SD-CD2 4.3Å; L196-Y406 HydrophobicContact CD1-CD1 4.37Å; L196-Y406 HydrophobicContact CD1-CE1 4.18Å; L196-Y406 HydrophobicContact CD2-CD1 3.74Å; L196-Y406 HydrophobicContact CD2-CE1 4.14Å; L196-Y406 HydrophobicContact CG-CD1 4.18Å; L196-Y406 HydrophobicContact CG-CE1 4.47Å; L200-Y406 HydrophobicContact CD1-CD1 3.65Å; L200-Y406 HydrophobicContact CD1-CD2 3.56Å; L200-Y406 HydrophobicContact CD1-CE1 4.1Å; L200-Y406 HydrophobicContact CD1-CE2 4.03Å; L200-Y406 HydrophobicContact CD1-CG 3.35Å; L200-Y406 HydrophobicContact CD2-CD1 4.36Å; L200-Y406 HydrophobicContact CD2-CD2 3.75Å; L200-Y406 HydrophobicContact CD2-CE1 4.01Å; L200-Y406 HydrophobicContact CD2-CE2 3.33Å; L200-Y406 HydrophobicContact CD2-CG 4.24Å; L200-Y406 VanDerWaalsContact CD2-CZ 3.48Å; L200-Y406 HydrophobicContact CG-CD2 4.32Å; L200-Y406 HydrophobicContact CG-CE2 4.33Å; L200-Y406 HydrophobicContact CG-CG 4.44Å; L402-Y406 PolarHBondContact O-N 3.48Å; L402-Y406 VanDerWaalsContact O-N 3.12Å; G403-Y406 WeakPolarHBondContact O-CB 3.36Å; G403-Y406 PolarHBondContact O-N 3.46Å; A404-Y406 VanDerWaalsContact C-N 3.27Å; A404-Y406 PolarHBondContact O-N 3.07Å; Y406-A408 VanDerWaalsContact C-N 3.3Å; Y406-A408 PolarHBondContact O-N 3.42Å; Y406-A409 WeakPolarHBondContact O-CB 3.29Å; Y406-A409 PolarHBondContact O-N 3.27Å; Y406-F410 WeakPolarHBondContact O-CB 3.3Å; Y406-F410 PolarHBondContact O-N 3.47Å; Y406-V417 HydrophobicContact CD2-CB 4.35Å; Y406-V417 HydrophobicContact CD2-CG2 4.5Å; Y406-V417 HydrophobicContact CE2-CB 3.75Å; Y406-V417 HydrophobicContact CE2-CG1 4.39Å; Y406-V417 HydrophobicContact CE2-CG2 3.82Å; Y406-T418 PolarHBondContact OH-O 3.25Å; Y406-F420 HydrophobicContact CE1-CB 4.24Å; Y406-F420 WeakPolarHBondContact OH-CB 3.18Å; Y406-F420 PolarHBondContact OH-N 3.12Å |
| 407 | Q | 97.9 | Very high | 95 | Very high | 6 Ų | 6 | 35.9 Ų | 35.9 | 3% | 0.028 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.6 | -35.8 | 172.9 | -72.6 | -65.8 | 7.2 | 0 | 0 | 112.4 | V158 Q186 I188 L196 G403 A404 V405 A409 F410 H411 | V158-Q407 HydrophobicContact CG1-CB 4.34Å; V158-Q407 HydrophobicContact CG2-CB 4.33Å; Q186-Q407 VanDerWaalsContact OE1-CB 3.23Å; Q186-Q407 VanDerWaalsContact OE1-CG 3.29Å; I188-Q407 HydrophobicContact CD1-CG 3.91Å; L196-Q407 HydrophobicContact CD2-CG 3.71Å; G403-Q407 PolarHBondContact O-N 3.35Å; A404-Q407 WeakPolarHBondContact O-CB 3.36Å; A404-Q407 PolarHBondContact O-N 2.81Å; A404-Q407 VanDerWaalsContact O-N 3.08Å; V405-Q407 VanDerWaalsContact C-N 3.33Å; Q407-A409 VanDerWaalsContact C-N 3.29Å; Q407-A409 PolarHBondContact O-N 3.26Å; Q407-F410 PolarHBondContact O-N 3.38Å; Q407-F410 VanDerWaalsContact O-N 3.14Å; Q407-H411 WeakPolarHBondContact O-CB 3.36Å; Q407-H411 PolarHBondContact O-CD2 3.44Å; Q407-H411 VanDerWaalsContact O-CD2 3.23Å; Q407-H411 PolarHBondContact O-N 2.96Å |
| 408 | A | 97.5 | Very high | 95 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59 | -43.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | V158 A404 V405 Y406 T412 | V158-A408 HydrophobicContact CB-CB 4.16Å; V158-A408 VanDerWaalsContact CG2-CA 3.49Å; V158-A408 HydrophobicContact CG2-CB 3.63Å; A404-A408 PolarHBondContact O-N 3.49Å; V405-A408 HydrophobicContact CG2-CB 4.41Å; V405-A408 WeakPolarHBondContact O-CB 3.18Å; V405-A408 PolarHBondContact O-N 2.83Å; Y406-A408 VanDerWaalsContact C-N 3.3Å; Y406-A408 PolarHBondContact O-N 3.42Å; A408-T412 WeakPolarHBondContact O-CB 3.28Å; A408-T412 PolarHBondContact O-N 3.24Å; A408-T412 PolarHBondContact O-OG1 2.83Å |
| 409 | A | 96.2 | Very high | 94.9 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.008 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.8 | -39.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V35 M41 V405 Y406 Q407 H411 T412 F415 V417 | V35-A409 HydrophobicContact CB-CB 4.48Å; V35-A409 HydrophobicContact CG1-CB 4.15Å; V35-A409 HydrophobicContact CG2-CB 4.01Å; M41-A409 HydrophobicContact CE-CB 3.47Å; M41-A409 VanDerWaalsContact CE-CB 3.47Å; V405-A409 PolarHBondContact O-N 3.18Å; Y406-A409 WeakPolarHBondContact O-CB 3.29Å; Y406-A409 PolarHBondContact O-N 3.27Å; Q407-A409 VanDerWaalsContact C-N 3.29Å; Q407-A409 PolarHBondContact O-N 3.26Å; A409-H411 VanDerWaalsContact C-N 3.35Å; A409-H411 PolarHBondContact O-N 2.88Å; A409-T412 PolarHBondContact O-N 3.49Å; A409-F415 HydrophobicContact CB-CB 4.1Å; A409-F415 HydrophobicContact CB-CD2 4.34Å; A409-F415 HydrophobicContact CB-CG 4.16Å; A409-F415 WeakPolarHBondContact O-CB 3.33Å; A409-V417 HydrophobicContact CB-CG1 3.84Å |
| 410 | F | 95.1 | Very high | 94.9 | Very high | 57 Ų | 57 | 41.3 Ų | 41.3 | 25% | 0.25 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.7 | -40.7 | 178.1 | -177.9 | -101.5 | 0 | 0 | 0 | 112.3 | Y406 Q407 V417 R419 | Y406-F410 WeakPolarHBondContact O-CB 3.3Å; Y406-F410 PolarHBondContact O-N 3.47Å; Q407-F410 PolarHBondContact O-N 3.38Å; Q407-F410 VanDerWaalsContact O-N 3.14Å; F410-V417 HydrophobicContact CB-CG2 4.03Å; F410-V417 HydrophobicContact CD2-CG2 4.01Å; F410-R419 HydrophobicContact CE2-CB 4.45Å; F410-R419 HydrophobicContact CE2-CG 4.09Å; F410-R419 HydrophobicContact CZ-CG 4.49Å |
| 411 | H | 93.8 | Very high | 94.8 | Very high | 53 Ų | 53 | 41.1 Ų | 41.1 | 25% | 0.245 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -86.7 | -13.1 | -179 | -70.7 | -60.3 | 0 | 0 | 0 | 114.3 | L185 Q186 Q407 A409 P413 | L185-H411 HydrophobicContact CB-CB 4.28Å; L185-H411 HydrophobicContact CD1-CB 4.38Å; Q186-H411 PolarHBondContact OE1-NE2 2.83Å; Q407-H411 WeakPolarHBondContact O-CB 3.36Å; Q407-H411 PolarHBondContact O-CD2 3.44Å; Q407-H411 VanDerWaalsContact O-CD2 3.23Å; Q407-H411 PolarHBondContact O-N 2.96Å; A409-H411 VanDerWaalsContact C-N 3.35Å; A409-H411 PolarHBondContact O-N 2.88Å; H411-P413 WeakPolarHBondContact O-CD 3.41Å |
| 412 | T | 91.7 | Very high | 94.8 | Very high | 13 Ų | 13 | 42.3 Ų | 42.3 | 8% | 0.08 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -90.1 | 116.4 | -179.9 | -63.8 | 0 | 0 | 0 | 0 | 111.1 | I18 L185 A408 A409 G414 F415 | I18-T412 HydrophobicContact CG2-CG2 3.29Å; L185-T412 VanDerWaalsContact CD1-OG1 3.24Å; L185-T412 WeakPolarHBondContact CD1-OG1 3.42Å; A408-T412 WeakPolarHBondContact O-CB 3.28Å; A408-T412 PolarHBondContact O-N 3.24Å; A408-T412 PolarHBondContact O-OG1 2.83Å; A409-T412 PolarHBondContact O-N 3.49Å; T412-G414 PolarHBondContact O-N 2.96Å; T412-F415 HydrophobicContact CG2-CD2 3.76Å; T412-F415 HydrophobicContact CG2-CE2 3.98Å; T412-F415 PolarHBondContact O-N 2.82Å |
| 413 | P | 84.9 | Confident | 94.8 | Very high | 116 Ų | 116 | 42.6 Ų | 42.6 | 75% | 0.753 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 126.7 | 175.3 | -22.9 | 33.9 | 0 | 0 | 0 | 111.2 | H411 | H411-P413 WeakPolarHBondContact O-CD 3.41Š|
| 414 | G | 86.3 | Confident | 94.7 | Very high | 65 Ų | 65 | 43 Ų | 43 | 67% | 0.67 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 115.7 | -27 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | T412 | T412-G414 PolarHBondContact O-N 2.96Š|
| 415 | F | 91.3 | Very high | 94.6 | Very high | 41 Ų | 41 | 43.9 Ų | 43.9 | 18% | 0.18 | 23% | 0.226 | C | C | . | . | trans | -80.5 | 139.9 | 167.6 | -71.5 | -68.9 | 0 | 0 | 0 | 110.8 | I18 V35 A409 T412 | I18-F415 HydrophobicContact CG2-CD2 4.16Å; I18-F415 HydrophobicContact CG2-CE2 3.81Å; I18-F415 HydrophobicContact CG2-CZ 4.5Å; I18-F415 VanDerWaalsContact O-CE2 3.29Å; I18-F415 WeakPolarHBondContact O-CE2 3.16Å; I18-F415 WeakPolarHBondContact O-CZ 3.44Å; V35-F415 HydrophobicContact CB-CZ 4.27Å; V35-F415 HydrophobicContact CG1-CE2 3.89Å; V35-F415 HydrophobicContact CG1-CZ 3.94Å; V35-F415 HydrophobicContact CG2-CD1 3.99Å; V35-F415 HydrophobicContact CG2-CE1 3.55Å; V35-F415 HydrophobicContact CG2-CE2 4.27Å; V35-F415 HydrophobicContact CG2-CZ 3.69Å; A409-F415 HydrophobicContact CB-CB 4.1Å; A409-F415 HydrophobicContact CB-CD2 4.34Å; A409-F415 HydrophobicContact CB-CG 4.16Å; A409-F415 WeakPolarHBondContact O-CB 3.33Å; T412-F415 HydrophobicContact CG2-CD2 3.76Å; T412-F415 HydrophobicContact CG2-CE2 3.98Å; T412-F415 PolarHBondContact O-N 2.82Å | ||
| 416 | R | 90.4 | Very high | 94.4 | Very high | 249 Ų | 249 | 44.5 Ų | 44.5 | 94% | 0.94 | 23% | 0.229 | S | C | * | . | trans | -116.9 | 98.2 | 173 | -67.1 | -173 | -179 | -163.8 | 0.5 | 108.5 | ||||
| 417 | V | 93.7 | Very high | 94 | Very high | 44 Ų | 44 | 44.3 Ų | 44.3 | 27% | 0.267 | 23% | 0.229 | S | C | . | . | trans | -108 | 156.4 | 172.8 | -61.9 | 0 | 0 | 0 | 0 | 109.6 | M41 Y406 A409 F410 R419 | M41-V417 HydrophobicContact CE-CG1 3.68Å; Y406-V417 HydrophobicContact CD2-CB 4.35Å; Y406-V417 HydrophobicContact CD2-CG2 4.5Å; Y406-V417 HydrophobicContact CE2-CB 3.75Å; Y406-V417 HydrophobicContact CE2-CG1 4.39Å; Y406-V417 HydrophobicContact CE2-CG2 3.82Å; A409-V417 HydrophobicContact CB-CG1 3.84Å; F410-V417 HydrophobicContact CB-CG2 4.03Å; F410-V417 HydrophobicContact CD2-CG2 4.01Å; V417-R419 PolarHBondContact O-N 3.1Å | ||
| 418 | T | 92.8 | Very high | 93.7 | Very high | 72 Ų | 72 | 44.7 Ų | 44.7 | 44% | 0.442 | 23% | 0.23 | S | C | . | . | trans | -49.9 | 132.2 | 169 | -57.8 | 0 | 0 | 0 | 0 | 108.4 | F203 P245 Y406 F420 | F203-T418 HydrophobicContact CE2-CG2 4.45Å; F203-T418 HydrophobicContact CZ-CG2 4.12Å; P245-T418 HydrophobicContact CG-CG2 4.29Å; Y406-T418 PolarHBondContact OH-O 3.25Å; T418-F420 PolarHBondContact O-N 2.93Å | ||
| 419 | R | 95 | Very high | 93.4 | Very high | 91 Ų | 91 | 45 Ų | 45 | 34% | 0.343 | 23% | 0.232 | S | C | . | . | trans | -71.2 | 120.2 | 174.3 | -179 | 174.2 | -68.3 | -86.8 | 0.5 | 108.9 | D237 F244 P245 F410 V417 | D237-R419 WeakPolarHBondContact OD2-CD 3.27Å; D237-R419 IonicContact OD2-CZ 3.04Å; D237-R419 IonicContact OD2-NE 2.64Å; D237-R419 IonicContact OD2-NH1 2.94Å; D237-R419 PolarHBondContact OD2-NH1 2.83Å; F244-R419 HydrophobicContact CD1-CB 4.01Å; F244-R419 HydrophobicContact CD1-CG 4.24Å; F244-R419 HydrophobicContact CE1-CB 4.17Å; F244-R419 HydrophobicContact CE1-CG 4.41Å; F244-R419 HydrophobicContact CG-CG 4.47Å; P245-R419 VanDerWaalsContact CD-O 3.28Å; P245-R419 WeakPolarHBondContact CD-O 3.41Å; F410-R419 HydrophobicContact CE2-CB 4.45Å; F410-R419 HydrophobicContact CE2-CG 4.09Å; F410-R419 HydrophobicContact CZ-CG 4.49Å; V417-R419 PolarHBondContact O-N 3.1Å | ||
| 420 | F | 97.2 | Very high | 93.3 | Very high | 3 Ų | 3 | 45 Ų | 45 | 1% | 0.013 | 23% | 0.232 | C | C | . | . | trans | -125.8 | 111.6 | 179.6 | -159.2 | -56.6 | 0 | 0 | 0 | 108.5 | L196 G199 L200 F203 Y230 P245 L247 Y406 T418 V422 | L196-F420 HydrophobicContact CD1-CB 4.3Å; L196-F420 HydrophobicContact CD1-CD1 3.7Å; L196-F420 HydrophobicContact CD1-CD2 4.32Å; L196-F420 HydrophobicContact CD1-CE1 4.09Å; L196-F420 HydrophobicContact CD1-CG 3.85Å; G199-F420 VanDerWaalsContact C-CE2 3.47Å; L200-F420 HydrophobicContact CD2-CB 4.27Å; L200-F420 HydrophobicContact CD2-CD2 3.54Å; L200-F420 HydrophobicContact CD2-CE2 4.23Å; L200-F420 HydrophobicContact CD2-CG 4.21Å; L200-F420 HydrophobicContact CG-CD2 4.03Å; L200-F420 HydrophobicContact CG-CE2 4.29Å; F203-F420 HydrophobicContact CB-CE2 3.94Å; Y230-F420 HydrophobicContact CD1-CZ 4.18Å; Y230-F420 HydrophobicContact CE1-CZ 4.43Å; P245-F420 HydrophobicContact CB-CD1 4.28Å; P245-F420 HydrophobicContact CB-CD2 3.66Å; P245-F420 HydrophobicContact CB-CE1 4.18Å; P245-F420 HydrophobicContact CB-CE2 3.59Å; P245-F420 HydrophobicContact CB-CG 4.02Å; P245-F420 HydrophobicContact CB-CZ 3.86Å; P245-F420 HydrophobicContact CG-CB 4.08Å; P245-F420 HydrophobicContact CG-CD1 4.4Å; P245-F420 HydrophobicContact CG-CD2 3.41Å; P245-F420 VanDerWaalsContact CG-CD2 3.41Å; P245-F420 HydrophobicContact CG-CE2 3.88Å; P245-F420 HydrophobicContact CG-CG 3.71Å; L247-F420 HydrophobicContact CB-CD1 4.38Å; L247-F420 HydrophobicContact CB-CE1 3.61Å; L247-F420 HydrophobicContact CB-CZ 4.48Å; Y406-F420 HydrophobicContact CE1-CB 4.24Å; Y406-F420 WeakPolarHBondContact OH-CB 3.18Å; Y406-F420 PolarHBondContact OH-N 3.12Å; T418-F420 PolarHBondContact O-N 2.93Å; F420-V422 HydrophobicContact CD1-CG2 4.45Å; F420-V422 PolarHBondContact O-N 2.99Å | ||
| 421 | I | 97.1 | Very high | 93.3 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 126.1 | -175 | -56.8 | 173.2 | 0 | 0 | 0 | 108.5 | H235 D237 F244 P245 M246 L247 K423 | H235-I421 HydrophobicContact CB-CD1 3.48Å; H235-I421 VanDerWaalsContact CB-CD1 3.48Å; D237-I421 HydrophobicContact CB-CD1 3.83Å; D237-I421 HydrophobicContact CB-CG1 3.91Å; F244-I421 HydrophobicContact CB-CD1 4.07Å; F244-I421 HydrophobicContact CB-CG1 4.3Å; F244-I421 HydrophobicContact CD2-CD1 4.1Å; F244-I421 HydrophobicContact CG-CD1 4.49Å; P245-I421 PolarHBondContact O-N 3.5Å; M246-I421 CarbonylContact C-O 3.57Å; M246-I421 WeakPolarHBondContact CA-O 3.16Å; M246-I421 HydrophobicContact CB-CB 4.24Å; M246-I421 HydrophobicContact CE-CB 4.38Å; M246-I421 HydrophobicContact CE-CD1 3.97Å; M246-I421 HydrophobicContact CE-CG2 4.07Å; M246-I421 HydrophobicContact CG-CB 4.09Å; M246-I421 HydrophobicContact CG-CG2 4.16Å; L247-I421 PolarHBondContact N-O 3.27Å; I421-K423 HydrophobicContact CG2-CD 4.32Å; I421-K423 HydrophobicContact CG2-CG 4.31Å |
| 422 | V | 97.6 | Very high | 93.3 | Very high | 24 Ų | 24 | 39.7 Ų | 39.7 | 15% | 0.145 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 121.4 | 175.1 | -177 | 0 | 0 | 0 | 0 | 109 | L196 L247 F420 | L196-V422 HydrophobicContact CD1-CG2 3.79Å; L196-V422 HydrophobicContact CD2-CG2 4.08Å; L196-V422 HydrophobicContact CG-CG2 4.43Å; L247-V422 HydrophobicContact CD2-CG1 4.29Å; L247-V422 WeakPolarHBondContact O-CA 3.21Å; F420-V422 HydrophobicContact CD1-CG2 4.45Å; F420-V422 PolarHBondContact O-N 2.99Å |
| 423 | K | 97.4 | Very high | 93.4 | Very high | 46 Ų | 46 | 40 Ų | 40 | 20% | 0.2 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 102.8 | 171.6 | -60.5 | -55.5 | -172.2 | -176.4 | 0 | 108.1 | L247 R248 I249 I421 I470 | L247-K423 PolarHBondContact O-N 2.93Å; R248-K423 WeakPolarHBondContact CA-O 3.3Å; R248-K423 HydrophobicContact CB-CB 4.42Å; R248-K423 HydrophobicContact CG-CB 4.34Å; I249-K423 PolarHBondContact N-O 2.72Å; I421-K423 HydrophobicContact CG2-CD 4.32Å; I421-K423 HydrophobicContact CG2-CG 4.31Å; K423-I470 HydrophobicContact CB-CB 4.37Å; K423-I470 HydrophobicContact CB-CG2 4.31Å; K423-I470 HydrophobicContact CD-CD1 4.2Å; K423-I470 HydrophobicContact CG-CD1 4.47Å |
| 424 | D | 97.7 | Very high | 93.8 | Very high | 8 Ų | 8 | 35 Ų | 35 | 4% | 0.043 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 172 | -178.3 | -148.6 | -34.8 | 0 | 0 | 0 | 110.8 | N189 S192 I470 F471 | N189-D424 PolarHBondContact ND2-OD1 3.24Å; N189-D424 PolarHBondContact ND2-OD2 2.88Å; S192-D424 WeakPolarHBondContact CB-OD2 3.47Å; S192-D424 PolarHBondContact OG-OD1 2.87Å; S192-D424 PolarHBondContact OG-OD2 3.47Å; D424-I470 CarbonylContact O-C 3.52Å; D424-I470 WeakPolarHBondContact O-CA 3.38Å; D424-F471 HydrophobicContact CB-CD1 4.21Å; D424-F471 HydrophobicContact CB-CD2 4.08Å; D424-F471 HydrophobicContact CB-CE1 3.82Å; D424-F471 HydrophobicContact CB-CE2 3.66Å; D424-F471 HydrophobicContact CB-CG 4.34Å; D424-F471 HydrophobicContact CB-CZ 3.53Å; D424-F471 PolarHBondContact N-O 3.22Å; D424-F471 PolarHBondContact O-N 2.93Å |
| 425 | Y | 96.5 | Very high | 94 | Very high | 19 Ų | 19 | 36.4 Ų | 36.4 | 8% | 0.075 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 120.7 | -167.8 | 179.7 | -84 | 0 | 0 | 0 | 111.7 | I249 V250 N251 V252 L427 R467 G468 F471 | I249-Y425 HydrophobicContact CG2-CG 4.31Å; V250-Y425 WeakPolarHBondContact O-CD2 3.33Å; V250-Y425 WeakPolarHBondContact O-CE2 3.43Å; N251-Y425 HydrophobicContact CB-CE2 4.49Å; N251-Y425 PolarHBondContact OD1-OH 3.4Å; V252-Y425 HydrophobicContact CB-CD1 4.16Å; V252-Y425 HydrophobicContact CB-CE1 4.42Å; V252-Y425 HydrophobicContact CG2-CD1 4.03Å; V252-Y425 HydrophobicContact CG2-CG 4.16Å; Y425-L427 HydrophobicContact CD1-CB 4.47Å; Y425-L427 HydrophobicContact CE1-CB 4.47Å; Y425-L427 HydrophobicContact CE1-CD1 4.15Å; Y425-L427 PolarHBondContact O-N 3.23Å; Y425-R467 HydrophobicContact CE1-CG 4.45Å; Y425-R467 WeakPolarHBondContact OH-CG 3.33Å; Y425-R467 PolarHBondContact OH-NE 3.47Å; Y425-G468 VanDerWaalsContact CZ-CA 3.41Å; Y425-F471 WeakPolarHBondContact O-CE1 3.42Å |
| 426 | N | 93.9 | Very high | 93.8 | Very high | 12 Ų | 12 | 41.6 Ų | 41.6 | 6% | 0.064 | 18% | 0.184 | C | C | . | . | trans | -76.1 | 108.6 | 172.5 | -178.7 | 47.8 | 0 | 0 | 0 | 110.9 | Y428 P466 G468 A469 F471 | N426-Y428 PolarHBondContact ND2-O 3.31Å; N426-Y428 PolarHBondContact OD1-O 3.08Å; N426-P466 PolarHBondContact ND2-O 2.86Å; N426-G468 PolarHBondContact O-N 3.11Å; N426-A469 HydrophobicContact CB-CB 4.15Å; N426-A469 WeakPolarHBondContact CB-O 3.28Å; N426-A469 PolarHBondContact N-O 2.83Å; N426-F471 HydrophobicContact CB-CD1 4.37Å | ||
| 427 | L | 91.1 | Very high | 93.5 | Very high | 7 Ų | 7 | 30.3 Ų | 30.3 | 4% | 0.037 | 14% | 0.144 | C | C | . | . | trans | -75.1 | -34.9 | -178.1 | -176.1 | 69.8 | 0 | 0 | 0 | 113.3 | H164 H254 Y425 R467 | H164-L427 HydrophobicContact CB-CD2 4.2Å; H254-L427 WeakPolarHBondContact CE1-CD2 3.23Å; Y425-L427 HydrophobicContact CD1-CB 4.47Å; Y425-L427 HydrophobicContact CE1-CB 4.47Å; Y425-L427 HydrophobicContact CE1-CD1 4.15Å; Y425-L427 PolarHBondContact O-N 3.23Å; L427-R467 PolarHBondContact O-NH1 2.95Å | ||
| 428 | Y | 90.4 | Very high | 92.7 | Very high | 13 Ų | 13 | 33 Ų | 33 | 5% | 0.051 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -112.9 | 112.2 | -170.7 | -57.4 | -53.2 | 0 | 0 | 0 | 110.5 | H164 N426 Y492 Q503 | H164-Y428 WeakPolarHBondContact CA-OH 3.45Å; H164-Y428 PolarHBondContact O-OH 3.22Å; N426-Y428 PolarHBondContact ND2-O 3.31Å; N426-Y428 PolarHBondContact OD1-O 3.08Å; Y428-Y492 VanDerWaalsContact CB-CE1 3.44Å; Y428-Y492 HydrophobicContact CD2-CE1 4.42Å; Y428-Y492 HydrophobicContact CG-CE1 4.24Å; Y428-Q503 HydrophobicContact CD1-CG 4.28Å; Y428-Q503 HydrophobicContact CE1-CG 4.08Å |
| 429 | P | 92.4 | Very high | 91.8 | Very high | 7 Ų | 7 | 33.6 Ų | 33.6 | 5% | 0.045 | 17% | 0.168 | C | C | . | . | trans | -67.7 | 141.6 | -177.7 | -26.1 | 41.3 | 0 | 0 | 0 | 111.3 | F465 R467 Y492 V493 H495 | P429-F465 CarbonylContact C-O 3.5Å; P429-F465 WeakPolarHBondContact CA-O 3.35Å; P429-F465 WeakPolarHBondContact CB-O 3.41Å; P429-R467 HydrophobicContact CG-CB 3.54Å; P429-R467 VanDerWaalsContact CG-N 3.3Å; P429-Y492 CarbonylContact O-C 3.58Å; P429-Y492 WeakPolarHBondContact O-CA 3.5Å; P429-V493 HydrophobicContact CB-CB 4.05Å; P429-V493 HydrophobicContact CB-CG2 3.99Å; P429-V493 PolarHBondContact O-N 3.08Å; P429-H495 WeakPolarHBondContact CD-CE1 3.19Å; P429-H495 WeakPolarHBondContact CD-NE2 3.21Å; P429-H495 WeakPolarHBondContact CG-CE1 3.43Å; P429-H495 WeakPolarHBondContact CG-NE2 3.5Å | ||
| 430 | I | 93.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 132.3 | -178.4 | -58.5 | -174.9 | 0 | 0 | 0 | 108.5 | L464 F465 V490 N491 Y492 L509 M538 L544 | I430-L464 WeakPolarHBondContact O-CA 3.34Å; I430-L464 WeakPolarHBondContact O-CB 3.22Å; I430-L464 PolarHBondContact O-N 3.22Å; I430-F465 HydrophobicContact CB-CB 4.49Å; I430-F465 PolarHBondContact N-O 3.4Å; I430-F465 PolarHBondContact O-N 3.05Å; I430-V490 HydrophobicContact CG2-CG1 3.43Å; I430-V490 VanDerWaalsContact CG2-CG1 3.43Å; I430-N491 CarbonylContact C-O 3.42Å; I430-N491 WeakPolarHBondContact CA-O 3.22Å; I430-Y492 HydrophobicContact CD1-CE1 4.38Å; I430-Y492 HydrophobicContact CG1-CD1 4.02Å; I430-Y492 HydrophobicContact CG1-CE1 4.11Å; I430-L509 HydrophobicContact CD1-CD1 3.83Å; I430-L509 HydrophobicContact CG1-CD1 4.12Å; I430-L509 HydrophobicContact CG2-CD1 4.11Å; I430-M538 HydrophobicContact CD1-CE 3.81Å; I430-L544 HydrophobicContact CD1-CB 4.3Å; I430-L544 HydrophobicContact CD1-CD2 4.27Å; I430-L544 HydrophobicContact CG2-CD2 4.07Å |
| 431 | A | 93.9 | Very high | 89 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 161.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R461 Q462 V463 V490 N491 V493 | A431-R461 HydrophobicContact CB-CG 3.88Å; A431-Q462 CarbonylContact C-O 3.58Å; A431-Q462 WeakPolarHBondContact CA-O 3.25Å; A431-Q462 WeakPolarHBondContact CB-O 3.45Å; A431-V463 HydrophobicContact CB-CG2 4.46Å; A431-V490 WeakPolarHBondContact O-CA 3.31Å; A431-N491 PolarHBondContact N-O 2.82Å; A431-N491 PolarHBondContact O-N 3.22Å; A431-V493 HydrophobicContact CB-CG2 3.52Å |
| 432 | V | 95.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 127.8 | 172.2 | -178.6 | 0 | 0 | 0 | 0 | 108.9 | F434 R461 Q462 L464 I477 F479 F488 Y489 V490 F536 | V432-F434 HydrophobicContact CG1-CD1 4.26Å; V432-R461 CarbonylContact O-C 3.52Å; V432-R461 WeakPolarHBondContact O-CA 3.46Å; V432-Q462 PolarHBondContact N-O 2.9Å; V432-Q462 PolarHBondContact O-N 3.45Å; V432-L464 HydrophobicContact CG2-CB 4.43Å; V432-L464 HydrophobicContact CG2-CD2 4.47Å; V432-I477 HydrophobicContact CB-CD1 3.59Å; V432-I477 HydrophobicContact CG1-CD1 3.9Å; V432-I477 HydrophobicContact CG2-CD1 4.07Å; V432-I477 HydrophobicContact CG2-CG2 4.49Å; V432-F479 HydrophobicContact CG1-CE1 4.03Å; V432-F479 HydrophobicContact CG1-CZ 4.01Å; V432-F488 HydrophobicContact CG1-CB 4.05Å; V432-F488 HydrophobicContact CG1-CD2 3.61Å; V432-F488 HydrophobicContact CG1-CE2 4.4Å; V432-F488 HydrophobicContact CG1-CG 4.13Å; V432-Y489 CarbonylContact C-O 3.53Å; V432-Y489 VanDerWaalsContact CA-O 3.25Å; V432-Y489 WeakPolarHBondContact CA-O 3.33Å; V432-V490 HydrophobicContact CG2-CG2 4.32Å; V432-F536 HydrophobicContact CG2-CE2 4.18Å; V432-F536 HydrophobicContact CG2-CZ 4.2Å |
| 433 | D | 92.7 | Very high | 85.5 | Confident | 20 Ų | 20 | 41.9 Ų | 41.9 | 11% | 0.107 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 128.9 | 177.8 | -63 | -30 | 0 | 0 | 0 | 110.1 | V460 R461 F488 Y489 N491 | D433-V460 WeakPolarHBondContact CA-O 3.47Å; D433-R461 WeakPolarHBondContact OD1-CA 3.28Å; D433-R461 WeakPolarHBondContact OD1-CB 3.36Å; D433-R461 WeakPolarHBondContact OD1-CG 3.4Å; D433-R461 IonicContact OD1-CZ 3.82Å; D433-R461 IonicContact OD1-NE 2.66Å; D433-R461 PolarHBondContact OD1-NE 2.92Å; D433-R461 IonicContact OD1-NH2 2.74Å; D433-R461 IonicContact OD2-CZ 2.78Å; D433-R461 IonicContact OD2-NE 2.56Å; D433-R461 PolarHBondContact OD2-NE 3.22Å; D433-R461 IonicContact OD2-NH2 2.76Å; D433-R461 PolarHBondContact OD2-NH2 2.77Å; D433-F488 CarbonylContact O-C 3.2Å; D433-F488 WeakPolarHBondContact O-CA 3.36Å; D433-Y489 PolarHBondContact N-O 2.89Å; D433-Y489 PolarHBondContact O-N 3.42Å; D433-N491 PolarHBondContact OD2-ND2 3.32Å |
| 434 | F | 93.3 | Very high | 83.3 | Confident | 9 Ų | 9 | 49 Ų | 49 | 4% | 0.039 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 158 | -177.1 | 61.8 | -82.3 | 0 | 0 | 0 | 111.7 | V432 Y459 V460 Q462 I477 F479 H482 F488 | V432-F434 HydrophobicContact CG1-CD1 4.26Å; F434-Y459 CarbonylContact O-C 3.58Å; F434-Y459 WeakPolarHBondContact O-CA 3.4Å; F434-V460 HydrophobicContact CD1-CB 4.35Å; F434-V460 WeakPolarHBondContact CD1-O 3.07Å; F434-V460 HydrophobicContact CD2-CB 4.35Å; F434-V460 HydrophobicContact CE1-CB 3.93Å; F434-V460 HydrophobicContact CE1-CG1 3.79Å; F434-V460 HydrophobicContact CE2-CB 3.92Å; F434-V460 HydrophobicContact CE2-CG1 4.24Å; F434-V460 HydrophobicContact CE2-CG2 4.31Å; F434-V460 HydrophobicContact CZ-CB 3.7Å; F434-V460 HydrophobicContact CZ-CG1 3.56Å; F434-V460 HydrophobicContact CZ-CG2 4.44Å; F434-V460 PolarHBondContact N-O 3.4Å; F434-V460 PolarHBondContact O-N 3.48Å; F434-Q462 HydrophobicContact CE1-CG 4.12Å; F434-I477 HydrophobicContact CE1-CD1 3.99Å; F434-F479 HydrophobicContact CB-CD1 4.18Å; F434-F479 HydrophobicContact CB-CE1 3.93Å; F434-F479 AromaticContact CD1-CD1 3.86Å; F434-F479 HydrophobicContact CD1-CD1 3.86Å; F434-F479 AromaticContact CD1-CE1 3.59Å; F434-F479 HydrophobicContact CD1-CE1 3.59Å; F434-F479 AromaticContact CD2-CD1 3.61Å; F434-F479 HydrophobicContact CD2-CD1 3.61Å; F434-F479 HydrophobicContact CD2-CE1 4.11Å; F434-F479 HydrophobicContact CE1-CD1 4.07Å; F434-F479 HydrophobicContact CE1-CE1 4.05Å; F434-F479 AromaticContact CE2-CD1 3.83Å; F434-F479 HydrophobicContact CE2-CD1 3.83Å; F434-F479 AromaticContact CG-CD1 3.62Å; F434-F479 HydrophobicContact CG-CD1 3.62Å; F434-F479 AromaticContact CG-CE1 3.62Å; F434-F479 HydrophobicContact CG-CE1 3.62Å; F434-F479 HydrophobicContact CZ-CD1 4.04Å; F434-F479 HydrophobicContact CZ-CE1 4.49Å; F434-H482 AromaticContact CD2-NE2 3.87Å; F434-F488 HydrophobicContact CB-CB 3.76Å |
| 435 | M | 89.6 | Confident | 81.1 | Confident | 96 Ų | 96 | 52.5 Ų | 52.5 | 47% | 0.473 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 140.8 | 175.2 | -67 | -171.4 | 72.8 | 0 | 0 | 111.2 | A437 S458 Y459 H482 | M435-A437 PolarHBondContact O-N 2.97Å; M435-S458 CarbonylContact C-O 3.34Å; M435-S458 WeakPolarHBondContact CA-O 3.1Å; M435-Y459 HydrophobicContact CG-CD1 4.11Å; M435-Y459 HydrophobicContact CG-CD2 4.44Å; M435-Y459 HydrophobicContact CG-CE1 3.59Å; M435-Y459 HydrophobicContact CG-CE2 3.95Å; M435-H482 PolarHBondContact O-CE1 2.86Å; M435-H482 PolarHBondContact O-NE2 3.05Å; M435-H482 VanDerWaalsContact O-NE2 3.07Å |
| 436 | R | 87.7 | Confident | 78.7 | Confident | 149 Ų | 149 | 54.2 Ų | 54.2 | 56% | 0.562 | 31% | 0.309 | S | S | * | . | P | Polyproline II helix | trans | -66.7 | 128.4 | 175.2 | -171 | 176.3 | -74.6 | 174.7 | 1.4 | 110.4 | S458 V460 | R436-S458 PolarHBondContact N-O 3.47Å; R436-V460 HydrophobicContact CB-CG2 4.03Å; R436-V460 HydrophobicContact CG-CG2 4.46Å |
| 437 | A | 83.9 | Confident | 76.3 | Confident | 13 Ų | 13 | 62.6 Ų | 62.6 | 11% | 0.107 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -63 | 145.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | M435 R481 H482 | M435-A437 PolarHBondContact O-N 2.97Å; A437-R481 HydrophobicContact CB-CB 3.77Å; A437-H482 VanDerWaalsContact CB-CD2 3.47Å; A437-H482 WeakPolarHBondContact CB-CD2 3.37Å; A437-H482 WeakPolarHBondContact CB-NE2 3.18Å; A437-H482 PolarHBondContact N-NE2 2.9Å |
| 438 | P | 77.9 | Confident | 74 | Confident | 101 Ų | 101 | 69.6 Ų | 69.6 | 66% | 0.656 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 160.2 | 169.9 | 29 | -34.4 | 0 | 0 | 0 | 111.3 | ||
| 439 | P | 74.5 | Confident | 71.8 | Confident | 83 Ų | 83 | 74.3 Ų | 74.3 | 54% | 0.539 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 142.1 | 171.1 | -23.2 | 33.4 | 0 | 0 | 0 | 111.8 | ||
| 440 | L | 69 | Low | 69.2 | Low | 36 Ų | 36 | 83.2 Ų | 83.2 | 19% | 0.188 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 148.4 | 176.9 | -70 | 173.7 | 0 | 0 | 0 | 111 | G442 D443 R481 I483 | L440-G442 PolarHBondContact O-N 2.87Å; L440-G442 VanDerWaalsContact O-N 3.14Å; L440-D443 PolarHBondContact O-N 3.43Å; L440-R481 HydrophobicContact CD1-CB 4.41Å; L440-R481 HydrophobicContact CD1-CG 4.31Å; L440-R481 HydrophobicContact CG-CB 4.14Å; L440-R481 HydrophobicContact CG-CG 4.28Å; L440-I483 HydrophobicContact CD2-CD1 3.56Å; L440-I483 HydrophobicContact CD2-CG1 3.81Å; L440-I483 HydrophobicContact CD2-CG2 4.02Å |
| 441 | P | 62.8 | Low | 66.9 | Low | 131 Ų | 131 | 89.1 Ų | 89.1 | 85% | 0.851 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 118.1 | 175.8 | -20.8 | 31.6 | 0 | 0 | 0 | 111.5 | ||
| 442 | G | 61.8 | Low | 64.2 | Low | 71 Ų | 71 | 97.7 Ų | 97.7 | 73% | 0.732 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.4 | -0.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | L440 K444 | L440-G442 PolarHBondContact O-N 2.87Å; L440-G442 VanDerWaalsContact O-N 3.14Å; G442-K444 PolarHBondContact O-N 2.89Å |
| 443 | D | 59.7 | Low | 61.6 | Low | 59 Ų | 59 | 105.2 Ų | 105.2 | 32% | 0.316 | 56% | 0.559 | S | S | . | * | trans | -68.3 | 96 | 175.7 | -141.2 | 6.8 | 0 | 0 | 0 | 109.7 | L440 S445 R481 | L440-D443 PolarHBondContact O-N 3.43Å; D443-S445 PolarHBondContact O-N 2.74Å; D443-S445 PolarHBondContact OD1-OG 2.96Å; D443-R481 IonicContact OD2-CZ 2.68Å; D443-R481 IonicContact OD2-NE 2.91Å; D443-R481 IonicContact OD2-NH2 3.4Å; D443-R481 PolarHBondContact OD2-NH2 2.8Å | ||
| 444 | K | 51.5 | Low | 59 | Low | 194 Ų | 194 | 110.7 Ų | 110.7 | 84% | 0.843 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -5 | -178.3 | -70.8 | -175.6 | -176.8 | 175.3 | 0 | 113.5 | G442 | G442-K444 PolarHBondContact O-N 2.89Š|
| 445 | S | 50.8 | Low | 56.4 | Low | 83 Ų | 83 | 119.6 Ų | 119.6 | 58% | 0.58 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -12.8 | -179.5 | 54.9 | 0 | 0 | 0 | 0 | 114.4 | D443 K447 | D443-S445 PolarHBondContact O-N 2.74Å; D443-S445 PolarHBondContact OD1-OG 2.96Å; S445-K447 VanDerWaalsContact C-N 3.3Å; S445-K447 PolarHBondContact O-N 2.88Å |
| 446 | D | 47.4 | Very low | 54.3 | Low | 55 Ų | 55 | 122.8 Ų | 122.8 | 29% | 0.294 | 64% | 0.644 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92 | 40.6 | -176.7 | -77.9 | -4.4 | 0 | 0 | 0 | 112.9 | D448 R481 | D446-D448 VanDerWaalsContact C-N 3.32Å; D446-R481 IonicContact OD1-NH2 3.84Å; D446-R481 IonicContact OD2-CZ 3.56Å; D446-R481 IonicContact OD2-NH1 3.41Å; D446-R481 PolarHBondContact OD2-NH1 3.24Å; D446-R481 IonicContact OD2-NH2 2.76Å |
| 447 | K | 42.9 | Very low | 52.5 | Low | 187 Ų | 187 | 121.3 Ų | 121.3 | 81% | 0.813 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -10.9 | 171 | -84 | -167.4 | 176 | -173.6 | 0 | 114.4 | S445 | S445-K447 VanDerWaalsContact C-N 3.3Å; S445-K447 PolarHBondContact O-N 2.88Å |
| 448 | D | 42.2 | Very low | 52.1 | Low | 154 Ų | 154 | 123 Ų | 123 | 82% | 0.824 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -108.4 | 15.1 | -174.3 | -70 | -23.3 | 0 | 0 | 0 | 115 | D446 | D446-D448 VanDerWaalsContact C-N 3.32Š|
| 449 | L | 44.2 | Very low | 52.3 | Low | 113 Ų | 113 | 124.6 Ų | 124.6 | 59% | 0.592 | 65% | 0.649 | S | S | * | * | trans | -114.6 | 84.3 | 173.3 | -74 | 167.2 | 0 | 0 | 0 | 110.7 | I451 | L449-I451 VanDerWaalsContact C-N 3.35Å; L449-I451 HydrophobicContact CB-CD1 4.17Å; L449-I451 HydrophobicContact CB-CG1 4.03Å; L449-I451 PolarHBondContact O-N 2.85Å | ||
| 450 | H | 38.4 | Very low | 53 | Low | 194 Ų | 194 | 122 Ų | 122 | 90% | 0.898 | 63% | 0.632 | S | S | * | * | trans | -63.4 | 95.1 | 157.5 | -79.8 | -68.9 | 0 | 0 | 0 | 108.6 | ||||
| 451 | I | 44.9 | Very low | 54.1 | Low | 124 Ų | 124 | 125.1 Ų | 125.1 | 64% | 0.636 | 64% | 0.641 | S | S | * | * | trans | -108.4 | 73.3 | 172.7 | -50.4 | 177.2 | 0 | 0 | 0 | 108 | L449 | L449-I451 VanDerWaalsContact C-N 3.35Å; L449-I451 HydrophobicContact CB-CD1 4.17Å; L449-I451 HydrophobicContact CB-CG1 4.03Å; L449-I451 PolarHBondContact O-N 2.85Å | ||
| 452 | E | 37.4 | Very low | 55.5 | Low | 180 Ų | 180 | 119.8 Ų | 119.8 | 84% | 0.841 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -107 | 124.9 | 151.2 | -71.2 | -178.9 | 168.9 | 0 | 0 | 104.7 | ||
| 453 | D | 40.2 | Very low | 57 | Low | 158 Ų | 158 | 118.5 Ų | 118.5 | 85% | 0.845 | 58% | 0.582 | S | S | * | * | S | Bend | trans | 89.6 | 41.3 | 169.2 | -53.5 | -23.8 | 0 | 0 | 0 | 121.8 | ||
| 454 | Q | 38.3 | Very low | 58.7 | Low | 134 Ų | 134 | 115.7 Ų | 115.7 | 63% | 0.626 | 57% | 0.567 | S | S | * | * | trans | -135.7 | 99 | 154.4 | -67.9 | -169.1 | 9.2 | 0 | 0 | 112.1 | D456 | Q454-D456 VanDerWaalsContact C-N 3.31Å; Q454-D456 PolarHBondContact O-N 3.18Å | ||
| 455 | Q | 39.7 | Very low | 60.8 | Low | 196 Ų | 196 | 106.4 Ų | 106.4 | 92% | 0.916 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -75.9 | -10.5 | 178.5 | -80 | 177.7 | -17.8 | 0 | 0 | 114.2 | ||
| 456 | D | 44.4 | Very low | 62.8 | Low | 163 Ų | 163 | 104.9 Ų | 104.9 | 87% | 0.872 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -99.6 | -8.9 | -172.1 | -87.7 | -28.7 | 0 | 0 | 0 | 116.2 | Q454 S458 | Q454-D456 VanDerWaalsContact C-N 3.31Å; Q454-D456 PolarHBondContact O-N 3.18Å; D456-S458 PolarHBondContact O-N 3.37Å |
| 457 | E | 50.1 | Low | 64.9 | Low | 118 Ų | 118 | 106.8 Ų | 106.8 | 55% | 0.551 | 52% | 0.518 | S | S | * | . | trans | -91 | 31.9 | -176.7 | -71.8 | -147.4 | 170 | 0 | 0 | 115.5 | ||||
| 458 | S | 76.7 | Confident | 67.3 | Low | 50 Ų | 50 | 98.9 Ų | 98.9 | 35% | 0.35 | 49% | 0.49 | S | S | . | . | trans | -82 | -24.2 | -175.2 | 68 | 0 | 0 | 0 | 0 | 115.3 | M435 R436 D456 | M435-S458 CarbonylContact C-O 3.34Å; M435-S458 WeakPolarHBondContact CA-O 3.1Å; R436-S458 PolarHBondContact N-O 3.47Å; D456-S458 PolarHBondContact O-N 3.37Å | ||
| 459 | Y | 81.8 | Confident | 69.8 | Low | 134 Ų | 134 | 92 Ų | 92 | 53% | 0.525 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 143.8 | -176.6 | -81.9 | -91.4 | 0 | 0 | 0 | 113.1 | F434 M435 | F434-Y459 CarbonylContact O-C 3.58Å; F434-Y459 WeakPolarHBondContact O-CA 3.4Å; M435-Y459 HydrophobicContact CG-CD1 4.11Å; M435-Y459 HydrophobicContact CG-CD2 4.44Å; M435-Y459 HydrophobicContact CG-CE1 3.59Å; M435-Y459 HydrophobicContact CG-CE2 3.95Å |
| 460 | V | 89.7 | Confident | 72.3 | Confident | 28 Ų | 28 | 88.9 Ų | 88.9 | 17% | 0.17 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 127.7 | 175.8 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | D433 F434 R436 Q462 | D433-V460 WeakPolarHBondContact CA-O 3.47Å; F434-V460 HydrophobicContact CD1-CB 4.35Å; F434-V460 WeakPolarHBondContact CD1-O 3.07Å; F434-V460 HydrophobicContact CD2-CB 4.35Å; F434-V460 HydrophobicContact CE1-CB 3.93Å; F434-V460 HydrophobicContact CE1-CG1 3.79Å; F434-V460 HydrophobicContact CE2-CB 3.92Å; F434-V460 HydrophobicContact CE2-CG1 4.24Å; F434-V460 HydrophobicContact CE2-CG2 4.31Å; F434-V460 HydrophobicContact CZ-CB 3.7Å; F434-V460 HydrophobicContact CZ-CG1 3.56Å; F434-V460 HydrophobicContact CZ-CG2 4.44Å; F434-V460 PolarHBondContact N-O 3.4Å; F434-V460 PolarHBondContact O-N 3.48Å; R436-V460 HydrophobicContact CB-CG2 4.03Å; R436-V460 HydrophobicContact CG-CG2 4.46Å; V460-Q462 HydrophobicContact CG1-CG 4.06Å |
| 461 | R | 91.3 | Very high | 75.1 | Confident | 101 Ų | 101 | 80.2 Ų | 80.2 | 38% | 0.381 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 130.8 | 169.3 | 175 | 164.9 | -73.7 | -174.7 | -5.5 | 110.1 | A431 V432 D433 D494 Y507 | A431-R461 HydrophobicContact CB-CG 3.88Å; V432-R461 CarbonylContact O-C 3.52Å; V432-R461 WeakPolarHBondContact O-CA 3.46Å; D433-R461 WeakPolarHBondContact OD1-CA 3.28Å; D433-R461 WeakPolarHBondContact OD1-CB 3.36Å; D433-R461 WeakPolarHBondContact OD1-CG 3.4Å; D433-R461 IonicContact OD1-CZ 3.82Å; D433-R461 IonicContact OD1-NE 2.66Å; D433-R461 PolarHBondContact OD1-NE 2.92Å; D433-R461 IonicContact OD1-NH2 2.74Å; D433-R461 IonicContact OD2-CZ 2.78Å; D433-R461 IonicContact OD2-NE 2.56Å; D433-R461 PolarHBondContact OD2-NE 3.22Å; D433-R461 IonicContact OD2-NH2 2.76Å; D433-R461 PolarHBondContact OD2-NH2 2.77Å; R461-D494 IonicContact NH1-OD2 2.96Å; R461-Y507 VanDerWaalsContact CZ-OH 3.26Å; R461-Y507 PolarHBondContact NH1-OH 3.47Å; R461-Y507 PolarHBondContact NH2-OH 3.08Å |
| 462 | Q | 92.8 | Very high | 77.5 | Confident | 19 Ų | 19 | 75.9 Ų | 75.9 | 9% | 0.089 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 124.4 | 172.1 | -65.3 | -173.6 | 5.8 | 0 | 0 | 110.7 | A431 V432 F434 V460 L464 I477 N603 | A431-Q462 CarbonylContact C-O 3.58Å; A431-Q462 WeakPolarHBondContact CA-O 3.25Å; A431-Q462 WeakPolarHBondContact CB-O 3.45Å; V432-Q462 PolarHBondContact N-O 2.9Å; V432-Q462 PolarHBondContact O-N 3.45Å; F434-Q462 HydrophobicContact CE1-CG 4.12Å; V460-Q462 HydrophobicContact CG1-CG 4.06Å; Q462-L464 PolarHBondContact O-N 3.22Å; Q462-I477 HydrophobicContact CB-CD1 3.64Å; Q462-I477 HydrophobicContact CB-CG1 4.49Å; Q462-I477 HydrophobicContact CG-CD1 4.17Å; Q462-I477 VanDerWaalsContact OE1-CD1 3.22Å; Q462-N603 PolarHBondContact NE2-ND2 2.99Å |
| 463 | V | 93 | Very high | 80.2 | Confident | 44 Ų | 44 | 69 Ų | 69 | 27% | 0.267 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 116 | 178.3 | -180 | 0 | 0 | 0 | 0 | 109.4 | A431 P466 V493 T604 | A431-V463 HydrophobicContact CB-CG2 4.46Å; V463-P466 HydrophobicContact CG1-CB 4.11Å; V463-V493 HydrophobicContact CG2-CG2 4.23Å; V463-T604 WeakPolarHBondContact O-CG2 3.44Å |
| 464 | L | 94.5 | Very high | 82.9 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | -53.6 | 178.1 | -175.2 | 68.2 | 0 | 0 | 0 | 110.7 | I430 V432 Q462 R475 F536 L544 T604 | I430-L464 WeakPolarHBondContact O-CA 3.34Å; I430-L464 WeakPolarHBondContact O-CB 3.22Å; I430-L464 PolarHBondContact O-N 3.22Å; V432-L464 HydrophobicContact CG2-CB 4.43Å; V432-L464 HydrophobicContact CG2-CD2 4.47Å; Q462-L464 PolarHBondContact O-N 3.22Å; L464-R475 HydrophobicContact CD1-CB 3.74Å; L464-R475 HydrophobicContact CG-CB 4.42Å; L464-R475 WeakPolarHBondContact O-CD 3.38Å; L464-R475 PolarHBondContact O-NH1 2.72Å; L464-F536 HydrophobicContact CD1-CB 4.44Å; L464-F536 HydrophobicContact CD1-CD2 3.95Å; L464-F536 HydrophobicContact CD1-CG 4.47Å; L464-F536 HydrophobicContact CD2-CB 3.68Å; L464-F536 HydrophobicContact CD2-CD1 3.94Å; L464-F536 HydrophobicContact CD2-CD2 3.55Å; L464-F536 HydrophobicContact CD2-CE1 4.41Å; L464-F536 HydrophobicContact CD2-CE2 4.07Å; L464-F536 HydrophobicContact CD2-CG 3.46Å; L464-F536 VanDerWaalsContact CD2-CG 3.46Å; L464-F536 HydrophobicContact CD2-CZ 4.45Å; L464-F536 HydrophobicContact CG-CD2 4.42Å; L464-L544 HydrophobicContact CD2-CD1 3.94Å; L464-T604 HydrophobicContact CD1-CG2 4.28Å |
| 465 | F | 95.2 | Very high | 85.6 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 104.7 | 177.5 | -68.2 | -83.4 | 0 | 0 | 0 | 108.9 | P429 I430 A469 Q473 R475 F536 M538 L544 | P429-F465 CarbonylContact C-O 3.5Å; P429-F465 WeakPolarHBondContact CA-O 3.35Å; P429-F465 WeakPolarHBondContact CB-O 3.41Å; I430-F465 HydrophobicContact CB-CB 4.49Å; I430-F465 PolarHBondContact N-O 3.4Å; I430-F465 PolarHBondContact O-N 3.05Å; F465-A469 HydrophobicContact CB-CB 4.12Å; F465-A469 HydrophobicContact CD1-CB 4.1Å; F465-Q473 HydrophobicContact CE1-CB 4.17Å; F465-Q473 HydrophobicContact CE1-CG 4.35Å; F465-R475 HydrophobicContact CE1-CB 4.35Å; F465-R475 HydrophobicContact CE1-CG 4Å; F465-R475 HydrophobicContact CZ-CB 4.01Å; F465-R475 HydrophobicContact CZ-CG 4.18Å; F465-F536 HydrophobicContact CE2-CB 4.38Å; F465-M538 HydrophobicContact CB-CE 4.07Å; F465-M538 HydrophobicContact CD1-CB 4.31Å; F465-M538 HydrophobicContact CD1-CE 4.05Å; F465-M538 HydrophobicContact CD2-CE 3.43Å; F465-M538 VanDerWaalsContact CD2-CE 3.43Å; F465-M538 HydrophobicContact CE1-CB 3.78Å; F465-M538 HydrophobicContact CE1-CE 4.39Å; F465-M538 HydrophobicContact CE2-CB 4.33Å; F465-M538 HydrophobicContact CE2-CE 3.83Å; F465-M538 HydrophobicContact CG-CE 3.57Å; F465-M538 HydrophobicContact CZ-CB 3.8Å; F465-M538 HydrophobicContact CZ-CE 4.29Å; F465-L544 HydrophobicContact CD2-CD1 3.84Å; F465-L544 HydrophobicContact CE2-CD1 3.36Å; F465-L544 HydrophobicContact CZ-CD1 4.37Å |
| 466 | P | 94 | Very high | 88.3 | Confident | 51 Ų | 51 | 52.4 Ų | 52.4 | 33% | 0.331 | 26% | 0.259 | S | S | . | . | trans | -67.9 | 173.6 | 175.8 | 29 | -36.2 | 0 | 0 | 0 | 111.7 | N426 V463 G468 A469 R475 | N426-P466 PolarHBondContact ND2-O 2.86Å; V463-P466 HydrophobicContact CG1-CB 4.11Å; P466-G468 PolarHBondContact O-N 3.26Å; P466-A469 HydrophobicContact CG-CB 4.22Å; P466-A469 VanDerWaalsContact O-CB 3.23Å; P466-A469 WeakPolarHBondContact O-CB 3.41Å; P466-A469 PolarHBondContact O-N 2.78Å; P466-A469 VanDerWaalsContact O-N 3.07Å; P466-R475 VanDerWaalsContact CD-NH1 3.3Å | ||
| 467 | R | 91.4 | Very high | 90.7 | Very high | 95 Ų | 95 | 44.6 Ų | 44.6 | 36% | 0.358 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 130.2 | 174.4 | -176.7 | 175.1 | 171.5 | 88.6 | 4.1 | 108 | V252 Y425 L427 P429 A469 | V252-R467 PolarHBondContact O-NH2 3.19Å; Y425-R467 HydrophobicContact CE1-CG 4.45Å; Y425-R467 WeakPolarHBondContact OH-CG 3.33Å; Y425-R467 PolarHBondContact OH-NE 3.47Å; L427-R467 PolarHBondContact O-NH1 2.95Å; P429-R467 HydrophobicContact CG-CB 3.54Å; P429-R467 VanDerWaalsContact CG-N 3.3Å; R467-A469 VanDerWaalsContact C-N 3.27Å |
| 468 | G | 92.9 | Very high | 92.8 | Very high | 21 Ų | 21 | 42.5 Ų | 42.5 | 22% | 0.216 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76 | 11 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y425 N426 P466 I470 | Y425-G468 VanDerWaalsContact CZ-CA 3.41Å; N426-G468 PolarHBondContact O-N 3.11Å; P466-G468 PolarHBondContact O-N 3.26Å; G468-I470 PolarHBondContact O-N 2.86Å |
| 469 | A | 95.8 | Very high | 93.6 | Very high | 9 Ų | 9 | 40.1 Ų | 40.1 | 7% | 0.074 | 19% | 0.19 | C | C | . | . | trans | -55 | 139.4 | 160.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | N426 F465 P466 R467 | N426-A469 HydrophobicContact CB-CB 4.15Å; N426-A469 WeakPolarHBondContact CB-O 3.28Å; N426-A469 PolarHBondContact N-O 2.83Å; F465-A469 HydrophobicContact CB-CB 4.12Å; F465-A469 HydrophobicContact CD1-CB 4.1Å; P466-A469 HydrophobicContact CG-CB 4.22Å; P466-A469 VanDerWaalsContact O-CB 3.23Å; P466-A469 WeakPolarHBondContact O-CB 3.41Å; P466-A469 PolarHBondContact O-N 2.78Å; P466-A469 VanDerWaalsContact O-N 3.07Å; R467-A469 VanDerWaalsContact C-N 3.27Å | ||
| 470 | I | 96.5 | Very high | 94.1 | Very high | 48 Ų | 48 | 37.7 Ų | 37.7 | 25% | 0.246 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 152.7 | 179.5 | 57.1 | 168.8 | 0 | 0 | 0 | 110.5 | K423 D424 G468 Q473 | K423-I470 HydrophobicContact CB-CB 4.37Å; K423-I470 HydrophobicContact CB-CG2 4.31Å; K423-I470 HydrophobicContact CD-CD1 4.2Å; K423-I470 HydrophobicContact CG-CD1 4.47Å; D424-I470 CarbonylContact O-C 3.52Å; D424-I470 WeakPolarHBondContact O-CA 3.38Å; G468-I470 PolarHBondContact O-N 2.86Å; I470-Q473 WeakPolarHBondContact O-CB 3.36Å; I470-Q473 PolarHBondContact O-OE1 3.08Å |
| 471 | F | 96 | Very high | 94.1 | Very high | 11 Ų | 11 | 40.1 Ų | 40.1 | 5% | 0.048 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 149.8 | 164.9 | 68.3 | -94.4 | 0 | 0 | 0 | 112 | D424 Y425 N426 M538 D539 G542 | D424-F471 HydrophobicContact CB-CD1 4.21Å; D424-F471 HydrophobicContact CB-CD2 4.08Å; D424-F471 HydrophobicContact CB-CE1 3.82Å; D424-F471 HydrophobicContact CB-CE2 3.66Å; D424-F471 HydrophobicContact CB-CG 4.34Å; D424-F471 HydrophobicContact CB-CZ 3.53Å; D424-F471 PolarHBondContact N-O 3.22Å; D424-F471 PolarHBondContact O-N 2.93Å; Y425-F471 WeakPolarHBondContact O-CE1 3.42Å; N426-F471 HydrophobicContact CB-CD1 4.37Å; F471-M538 HydrophobicContact CB-CB 3.88Å; F471-M538 HydrophobicContact CB-CG 3.41Å; F471-M538 VanDerWaalsContact CB-CG 3.41Å; F471-M538 HydrophobicContact CD1-CG 4.29Å; F471-M538 HydrophobicContact CG-CG 3.9Å; F471-D539 WeakPolarHBondContact CD2-O 3.19Å; F471-G542 VanDerWaalsContact CE2-CA 3.44Å |
| 472 | P | 95 | Very high | 94.1 | Very high | 33 Ų | 33 | 36.1 Ų | 36.1 | 21% | 0.214 | 18% | 0.178 | C | C | . | . | S | Bend | cis | -70 | 141.5 | 2.5 | 32.3 | -39.7 | 0 | 0 | 0 | 113.6 | M538 | P472-M538 CarbonylContact C-O 3.55Å; P472-M538 WeakPolarHBondContact CA-O 3.3Å |
| 473 | Q | 95.5 | Very high | 94 | Very high | 35 Ų | 35 | 37.6 Ų | 37.6 | 16% | 0.164 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 140.1 | 177.5 | -176.9 | 173.7 | 24.6 | 0 | 0 | 111.2 | F465 I470 R475 M538 D606 | F465-Q473 HydrophobicContact CE1-CB 4.17Å; F465-Q473 HydrophobicContact CE1-CG 4.35Å; I470-Q473 WeakPolarHBondContact O-CB 3.36Å; I470-Q473 PolarHBondContact O-OE1 3.08Å; Q473-R475 HydrophobicContact CG-CG 4.41Å; Q473-M538 PolarHBondContact N-O 2.76Å; Q473-M538 PolarHBondContact O-N 3.04Å; Q473-D606 PolarHBondContact NE2-OD1 3.21Å |
| 474 | K | 95.6 | Very high | 94 | Very high | 92 Ų | 92 | 39.2 Ų | 39.2 | 40% | 0.4 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 137.3 | 173.3 | -54.2 | -175.2 | 179.3 | 173 | 0 | 110 | F536 I537 D607 | K474-F536 WeakPolarHBondContact CA-O 3.02Å; K474-I537 HydrophobicContact CD-CD1 4.43Å; K474-I537 HydrophobicContact CG-CD1 4.29Å; K474-I537 HydrophobicContact CG-CG1 4.02Å; K474-I537 HydrophobicContact CG-CG2 4.37Å; K474-D607 HydrophobicContact CB-CB 4.19Å; K474-D607 WeakPolarHBondContact CB-O 3.36Å; K474-D607 VanDerWaalsContact CD-O 3.31Å; K474-D607 WeakPolarHBondContact CD-O 3.23Å |
| 475 | R | 96.5 | Very high | 93.9 | Very high | 47 Ų | 47 | 42.6 Ų | 42.6 | 18% | 0.177 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 152.9 | 173.2 | -75.2 | -169.8 | 167.4 | -155.2 | -7 | 110.2 | L464 F465 P466 Q473 F536 T605 | L464-R475 HydrophobicContact CD1-CB 3.74Å; L464-R475 HydrophobicContact CG-CB 4.42Å; L464-R475 WeakPolarHBondContact O-CD 3.38Å; L464-R475 PolarHBondContact O-NH1 2.72Å; F465-R475 HydrophobicContact CE1-CB 4.35Å; F465-R475 HydrophobicContact CE1-CG 4Å; F465-R475 HydrophobicContact CZ-CB 4.01Å; F465-R475 HydrophobicContact CZ-CG 4.18Å; P466-R475 VanDerWaalsContact CD-NH1 3.3Å; Q473-R475 HydrophobicContact CG-CG 4.41Å; R475-F536 PolarHBondContact N-O 2.78Å; R475-F536 CarbonylContact O-C 3.55Å; R475-F536 WeakPolarHBondContact O-CA 3.17Å; R475-F536 PolarHBondContact O-N 3.41Å; R475-T605 WeakPolarHBondContact CA-O 3.39Å |
| 476 | A | 95.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 152.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K533 A534 T604 T605 D607 | A476-K533 HydrophobicContact CB-CD 4.26Å; A476-K533 HydrophobicContact CB-CG 4.07Å; A476-A534 CarbonylContact C-O 3.45Å; A476-A534 WeakPolarHBondContact CA-O 2.88Å; A476-A534 VanDerWaalsContact CB-O 3.31Å; A476-A534 WeakPolarHBondContact CB-O 3.19Å; A476-T604 WeakPolarHBondContact O-CA 3.34Å; A476-T605 PolarHBondContact N-O 2.95Å; A476-T605 VanDerWaalsContact N-O 3.08Å; A476-T605 PolarHBondContact O-N 3.31Å; A476-D607 HydrophobicContact CB-CB 3.96Å |
| 477 | I | 94.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 138 | 174.9 | -169.5 | 172.7 | 0 | 0 | 0 | 110 | V432 F434 Q462 F479 K533 A534 F536 | V432-I477 HydrophobicContact CB-CD1 3.59Å; V432-I477 HydrophobicContact CG1-CD1 3.9Å; V432-I477 HydrophobicContact CG2-CD1 4.07Å; V432-I477 HydrophobicContact CG2-CG2 4.49Å; F434-I477 HydrophobicContact CE1-CD1 3.99Å; Q462-I477 HydrophobicContact CB-CD1 3.64Å; Q462-I477 HydrophobicContact CB-CG1 4.49Å; Q462-I477 HydrophobicContact CG-CD1 4.17Å; Q462-I477 VanDerWaalsContact OE1-CD1 3.22Å; I477-F479 HydrophobicContact CD1-CE1 4.41Å; I477-F479 HydrophobicContact CG2-CD2 4.5Å; I477-F479 HydrophobicContact CG2-CE1 4.44Å; I477-F479 HydrophobicContact CG2-CE2 3.67Å; I477-F479 HydrophobicContact CG2-CZ 3.63Å; I477-K533 CarbonylContact O-C 3.5Å; I477-K533 VanDerWaalsContact O-CA 3.28Å; I477-K533 WeakPolarHBondContact O-CA 3.28Å; I477-A534 HydrophobicContact CG2-CB 3.88Å; I477-A534 PolarHBondContact N-O 3.14Å; I477-A534 PolarHBondContact O-N 2.76Å; I477-F536 HydrophobicContact CG2-CD2 4.47Å; I477-F536 HydrophobicContact CG2-CE2 3.83Å |
| 478 | K | 94.6 | Very high | 94 | Very high | 74 Ų | 74 | 39.6 Ų | 39.6 | 32% | 0.322 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 120.8 | 176.7 | -64.1 | 179 | -175.4 | 174.3 | 0 | 110.5 | N480 V532 K533 I552 | K478-N480 PolarHBondContact O-N 3.3Å; K478-V532 CarbonylContact C-O 3.54Å; K478-K533 HydrophobicContact CG-CD 4.43Å; K478-K533 HydrophobicContact CG-CG 4.17Å; K478-I552 HydrophobicContact CD-CD1 4.26Å; K478-I552 HydrophobicContact CG-CD1 4.14Å |
| 479 | F | 94.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 78.4 | 169.8 | -52.3 | -82.9 | 0 | 0 | 0 | 108.7 | V432 F434 I477 H482 L486 F488 G531 V532 A534 | V432-F479 HydrophobicContact CG1-CE1 4.03Å; V432-F479 HydrophobicContact CG1-CZ 4.01Å; F434-F479 HydrophobicContact CB-CD1 4.18Å; F434-F479 HydrophobicContact CB-CE1 3.93Å; F434-F479 AromaticContact CD1-CD1 3.86Å; F434-F479 HydrophobicContact CD1-CD1 3.86Å; F434-F479 AromaticContact CD1-CE1 3.59Å; F434-F479 HydrophobicContact CD1-CE1 3.59Å; F434-F479 AromaticContact CD2-CD1 3.61Å; F434-F479 HydrophobicContact CD2-CD1 3.61Å; F434-F479 HydrophobicContact CD2-CE1 4.11Å; F434-F479 HydrophobicContact CE1-CD1 4.07Å; F434-F479 HydrophobicContact CE1-CE1 4.05Å; F434-F479 AromaticContact CE2-CD1 3.83Å; F434-F479 HydrophobicContact CE2-CD1 3.83Å; F434-F479 AromaticContact CG-CD1 3.62Å; F434-F479 HydrophobicContact CG-CD1 3.62Å; F434-F479 AromaticContact CG-CE1 3.62Å; F434-F479 HydrophobicContact CG-CE1 3.62Å; F434-F479 HydrophobicContact CZ-CD1 4.04Å; F434-F479 HydrophobicContact CZ-CE1 4.49Å; I477-F479 HydrophobicContact CD1-CE1 4.41Å; I477-F479 HydrophobicContact CG2-CD2 4.5Å; I477-F479 HydrophobicContact CG2-CE1 4.44Å; I477-F479 HydrophobicContact CG2-CE2 3.67Å; I477-F479 HydrophobicContact CG2-CZ 3.63Å; F479-H482 HydrophobicContact CB-CB 4.07Å; F479-H482 PolarHBondContact O-N 2.97Å; F479-L486 HydrophobicContact CB-CD2 4.25Å; F479-L486 HydrophobicContact CD1-CD1 3.86Å; F479-L486 HydrophobicContact CD2-CD1 4.44Å; F479-L486 HydrophobicContact CD2-CD2 4.1Å; F479-L486 HydrophobicContact CE1-CD1 4.01Å; F479-L486 HydrophobicContact CG-CD1 4.08Å; F479-L486 HydrophobicContact CG-CD2 4.12Å; F479-L486 HydrophobicContact CZ-CD1 4.36Å; F479-F488 HydrophobicContact CE1-CB 3.95Å; F479-F488 HydrophobicContact CE1-CD1 4.15Å; F479-F488 AromaticContact CE1-CG 3.99Å; F479-F488 HydrophobicContact CE1-CG 3.99Å; F479-F488 HydrophobicContact CE2-CD1 4.1Å; F479-F488 AromaticContact CE2-CE1 3.98Å; F479-F488 HydrophobicContact CE2-CE1 3.98Å; F479-F488 HydrophobicContact CE2-CZ 4.36Å; F479-F488 HydrophobicContact CZ-CB 4.1Å; F479-F488 AromaticContact CZ-CD1 3.59Å; F479-F488 HydrophobicContact CZ-CD1 3.59Å; F479-F488 AromaticContact CZ-CD2 3.98Å; F479-F488 HydrophobicContact CZ-CD2 3.98Å; F479-F488 AromaticContact CZ-CE1 3.84Å; F479-F488 HydrophobicContact CZ-CE1 3.84Å; F479-F488 HydrophobicContact CZ-CE2 4.24Å; F479-F488 AromaticContact CZ-CG 3.61Å; F479-F488 HydrophobicContact CZ-CG 3.61Å; F479-F488 HydrophobicContact CZ-CZ 4.15Å; F479-G531 VanDerWaalsContact O-CA 3.24Å; F479-G531 WeakPolarHBondContact O-CA 3.48Å; F479-V532 HydrophobicContact CB-CB 4.25Å; F479-V532 HydrophobicContact CD2-CB 4.16Å; F479-V532 HydrophobicContact CD2-CG1 4.19Å; F479-V532 PolarHBondContact N-O 3.23Å; F479-V532 PolarHBondContact O-N 2.84Å; F479-V532 VanDerWaalsContact O-N 3.09Å; F479-A534 HydrophobicContact CE2-CB 3.71Å; F479-A534 HydrophobicContact CZ-CB 4.42Å |
| 480 | N | 91.3 | Very high | 94.1 | Very high | 82 Ų | 82 | 42 Ų | 42 | 44% | 0.439 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 142.2 | -179.2 | -66.4 | -26.4 | 0 | 0 | 0 | 111 | K478 H482 | K478-N480 PolarHBondContact O-N 3.3Å; N480-H482 PolarHBondContact O-CD2 3.3Å; N480-H482 PolarHBondContact O-N 2.99Å; N480-H482 VanDerWaalsContact O-N 3.1Å |
| 481 | R | 89.9 | Confident | 93.9 | Very high | 79 Ų | 79 | 40 Ų | 40 | 30% | 0.298 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | -7.1 | 179.9 | -54.2 | 173.4 | 171.7 | -176.1 | -9 | 115.7 | A437 L440 D443 D446 I483 R530 | A437-R481 HydrophobicContact CB-CB 3.77Å; L440-R481 HydrophobicContact CD1-CB 4.41Å; L440-R481 HydrophobicContact CD1-CG 4.31Å; L440-R481 HydrophobicContact CG-CB 4.14Å; L440-R481 HydrophobicContact CG-CG 4.28Å; D443-R481 IonicContact OD2-CZ 2.68Å; D443-R481 IonicContact OD2-NE 2.91Å; D443-R481 IonicContact OD2-NH2 3.4Å; D443-R481 PolarHBondContact OD2-NH2 2.8Å; D446-R481 IonicContact OD1-NH2 3.84Å; D446-R481 IonicContact OD2-CZ 3.56Å; D446-R481 IonicContact OD2-NH1 3.41Å; D446-R481 PolarHBondContact OD2-NH1 3.24Å; D446-R481 IonicContact OD2-NH2 2.76Å; R481-I483 PolarHBondContact O-N 3.06Å; R481-I483 VanDerWaalsContact O-N 3.12Å; R481-R530 PolarHBondContact N-O 2.77Å |
| 482 | H | 91.6 | Very high | 93.6 | Very high | 18 Ų | 18 | 40 Ų | 40 | 8% | 0.083 | 19% | 0.193 | C | C | . | . | trans | -71.6 | 106.3 | 172.5 | -71.9 | -94.8 | 0 | 0 | 0 | 110.7 | F434 M435 A437 F479 N480 L486 G531 V532 | F434-H482 AromaticContact CD2-NE2 3.87Å; M435-H482 PolarHBondContact O-CE1 2.86Å; M435-H482 PolarHBondContact O-NE2 3.05Å; M435-H482 VanDerWaalsContact O-NE2 3.07Å; A437-H482 VanDerWaalsContact CB-CD2 3.47Å; A437-H482 WeakPolarHBondContact CB-CD2 3.37Å; A437-H482 WeakPolarHBondContact CB-NE2 3.18Å; A437-H482 PolarHBondContact N-NE2 2.9Å; F479-H482 HydrophobicContact CB-CB 4.07Å; F479-H482 PolarHBondContact O-N 2.97Å; N480-H482 PolarHBondContact O-CD2 3.3Å; N480-H482 PolarHBondContact O-N 2.99Å; N480-H482 VanDerWaalsContact O-N 3.1Å; H482-L486 HydrophobicContact CB-CD2 4.25Å; H482-G531 CarbonylContact O-C 3.4Å; H482-G531 VanDerWaalsContact O-CA 3.3Å; H482-G531 WeakPolarHBondContact O-CA 3.36Å; H482-V532 HydrophobicContact CB-CG2 4.39Å | ||
| 483 | I | 90.8 | Very high | 93.2 | Very high | 50 Ų | 50 | 39.9 Ų | 39.9 | 26% | 0.256 | 19% | 0.191 | S | C | . | . | trans | -119 | 11.1 | 177.4 | 61.3 | 163 | 0 | 0 | 0 | 112.7 | L440 R481 S518 A521 P529 | L440-I483 HydrophobicContact CD2-CD1 3.56Å; L440-I483 HydrophobicContact CD2-CG1 3.81Å; L440-I483 HydrophobicContact CD2-CG2 4.02Å; R481-I483 PolarHBondContact O-N 3.06Å; R481-I483 VanDerWaalsContact O-N 3.12Å; I483-S518 WeakPolarHBondContact O-CA 3.31Å; I483-A521 HydrophobicContact CB-CB 4.24Å; I483-P529 HydrophobicContact CG2-CB 3.91Å; I483-P529 HydrophobicContact CG2-CG 4.01Å | ||
| 484 | T | 92.2 | Very high | 91.9 | Very high | 78 Ų | 78 | 43.3 Ų | 43.3 | 48% | 0.479 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -124 | 167.3 | 172.9 | 59.6 | 0 | 0 | 0 | 0 | 109.7 | L486 V517 S518 | T484-L486 PolarHBondContact O-N 3.5Å; T484-V517 WeakPolarHBondContact O-CG1 3.28Å; T484-S518 WeakPolarHBondContact CA-OG 3.17Å |
| 485 | D | 93 | Very high | 90.3 | Very high | 70 Ų | 70 | 41.2 Ų | 41.2 | 37% | 0.374 | 20% | 0.202 | S | C | . | . | trans | -53.2 | 134.3 | 173 | -67.3 | 7 | 0 | 0 | 0 | 108.4 | T514 N516 V517 | D485-T514 WeakPolarHBondContact CB-O 3.49Å; D485-N516 PolarHBondContact OD1-N 3.38Å; D485-N516 PolarHBondContact OD2-N 3.31Å; D485-V517 WeakPolarHBondContact OD1-CB 3.49Å; D485-V517 PolarHBondContact OD1-N 2.82Å | ||
| 486 | L | 93 | Very high | 88.3 | Confident | 8 Ų | 8 | 46.8 Ų | 46.8 | 4% | 0.042 | 24% | 0.236 | C | C | . | . | trans | -129.8 | 143.9 | -170.9 | 98.6 | 104.9 | 0 | 0 | 0 | 110.3 | F479 H482 T484 F488 T514 V532 | F479-L486 HydrophobicContact CB-CD2 4.25Å; F479-L486 HydrophobicContact CD1-CD1 3.86Å; F479-L486 HydrophobicContact CD2-CD1 4.44Å; F479-L486 HydrophobicContact CD2-CD2 4.1Å; F479-L486 HydrophobicContact CE1-CD1 4.01Å; F479-L486 HydrophobicContact CG-CD1 4.08Å; F479-L486 HydrophobicContact CG-CD2 4.12Å; F479-L486 HydrophobicContact CZ-CD1 4.36Å; H482-L486 HydrophobicContact CB-CD2 4.25Å; T484-L486 PolarHBondContact O-N 3.5Å; L486-F488 HydrophobicContact CD1-CB 4.07Å; L486-F488 HydrophobicContact CD1-CD1 3.53Å; L486-F488 HydrophobicContact CD1-CE1 4.44Å; L486-F488 HydrophobicContact CD1-CG 4.26Å; L486-F488 HydrophobicContact CG-CD1 4.16Å; L486-T514 HydrophobicContact CD2-CG2 4.13Å; L486-T514 HydrophobicContact CG-CG2 4.2Å; L486-T514 PolarHBondContact N-OG1 2.99Å; L486-T514 PolarHBondContact O-N 3.28Å; L486-T514 PolarHBondContact O-OG1 3.08Å; L486-V532 HydrophobicContact CD2-CB 3.65Å; L486-V532 HydrophobicContact CD2-CG1 3.8Å; L486-V532 HydrophobicContact CD2-CG2 3.76Å | ||
| 487 | D | 94.2 | Very high | 86.5 | Confident | 76 Ų | 76 | 49.2 Ų | 49.2 | 41% | 0.406 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 132.8 | 172.3 | -69.3 | -78.9 | 0 | 0 | 0 | 109.3 | H511 I512 T513 | D487-H511 IonicContact OD1-CD2 2.7Å; D487-H511 IonicContact OD1-CE1 3.98Å; D487-H511 PolarHBondContact OD1-CE1 2.9Å; D487-H511 IonicContact OD1-NE2 3.78Å; D487-H511 PolarHBondContact OD1-NE2 3.22Å; D487-I512 WeakPolarHBondContact CA-O 3.47Å; D487-T513 WeakPolarHBondContact OD1-CB 3.2Å; D487-T513 WeakPolarHBondContact OD1-CG2 3.24Å; D487-T513 PolarHBondContact OD1-OG1 3.07Å |
| 488 | F | 95.7 | Very high | 84.5 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 152.3 | 172.6 | 64.8 | -91.4 | 0 | 0 | 0 | 111.2 | V432 D433 F434 F479 L486 V490 I512 T514 A534 F536 L546 | V432-F488 HydrophobicContact CG1-CB 4.05Å; V432-F488 HydrophobicContact CG1-CD2 3.61Å; V432-F488 HydrophobicContact CG1-CE2 4.4Å; V432-F488 HydrophobicContact CG1-CG 4.13Å; D433-F488 CarbonylContact O-C 3.2Å; D433-F488 WeakPolarHBondContact O-CA 3.36Å; F434-F488 HydrophobicContact CB-CB 3.76Å; F479-F488 HydrophobicContact CE1-CB 3.95Å; F479-F488 HydrophobicContact CE1-CD1 4.15Å; F479-F488 AromaticContact CE1-CG 3.99Å; F479-F488 HydrophobicContact CE1-CG 3.99Å; F479-F488 HydrophobicContact CE2-CD1 4.1Å; F479-F488 AromaticContact CE2-CE1 3.98Å; F479-F488 HydrophobicContact CE2-CE1 3.98Å; F479-F488 HydrophobicContact CE2-CZ 4.36Å; F479-F488 HydrophobicContact CZ-CB 4.1Å; F479-F488 AromaticContact CZ-CD1 3.59Å; F479-F488 HydrophobicContact CZ-CD1 3.59Å; F479-F488 AromaticContact CZ-CD2 3.98Å; F479-F488 HydrophobicContact CZ-CD2 3.98Å; F479-F488 AromaticContact CZ-CE1 3.84Å; F479-F488 HydrophobicContact CZ-CE1 3.84Å; F479-F488 HydrophobicContact CZ-CE2 4.24Å; F479-F488 AromaticContact CZ-CG 3.61Å; F479-F488 HydrophobicContact CZ-CG 3.61Å; F479-F488 HydrophobicContact CZ-CZ 4.15Å; L486-F488 HydrophobicContact CD1-CB 4.07Å; L486-F488 HydrophobicContact CD1-CD1 3.53Å; L486-F488 HydrophobicContact CD1-CE1 4.44Å; L486-F488 HydrophobicContact CD1-CG 4.26Å; L486-F488 HydrophobicContact CG-CD1 4.16Å; F488-V490 HydrophobicContact CD2-CG2 4.4Å; F488-V490 HydrophobicContact CE2-CG2 4.27Å; F488-I512 HydrophobicContact CD1-CB 4.1Å; F488-I512 HydrophobicContact CD1-CG2 4.32Å; F488-I512 HydrophobicContact CD2-CB 4.03Å; F488-I512 HydrophobicContact CD2-CD1 3.95Å; F488-I512 HydrophobicContact CD2-CG1 4.28Å; F488-I512 HydrophobicContact CE1-CB 3.69Å; F488-I512 HydrophobicContact CE1-CG2 3.52Å; F488-I512 HydrophobicContact CE2-CB 3.55Å; F488-I512 HydrophobicContact CE2-CD1 3.55Å; F488-I512 HydrophobicContact CE2-CG1 3.56Å; F488-I512 HydrophobicContact CE2-CG2 4.09Å; F488-I512 HydrophobicContact CG-CB 4.31Å; F488-I512 HydrophobicContact CZ-CB 3.42Å; F488-I512 VanDerWaalsContact CZ-CB 3.42Å; F488-I512 HydrophobicContact CZ-CD1 4.26Å; F488-I512 HydrophobicContact CZ-CG1 3.75Å; F488-I512 HydrophobicContact CZ-CG2 3.41Å; F488-I512 VanDerWaalsContact CZ-CG2 3.41Å; F488-I512 PolarHBondContact N-O 3.45Å; F488-I512 PolarHBondContact O-N 3.25Å; F488-T514 HydrophobicContact CE1-CG2 4.27Å; F488-A534 HydrophobicContact CZ-CB 3.99Å; F488-F536 AromaticContact CE2-CZ 3.84Å; F488-F536 HydrophobicContact CE2-CZ 3.84Å; F488-F536 HydrophobicContact CZ-CZ 4.41Å; F488-L546 HydrophobicContact CZ-CD2 4.31Å |
| 489 | Y | 94.2 | Very high | 82.7 | Confident | 81 Ų | 81 | 49 Ų | 49 | 32% | 0.318 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 138.9 | -178.3 | -63 | -93.4 | 0 | 0 | 0 | 109.5 | V432 D433 S510 H511 L640 | V432-Y489 CarbonylContact C-O 3.53Å; V432-Y489 VanDerWaalsContact CA-O 3.25Å; V432-Y489 WeakPolarHBondContact CA-O 3.33Å; D433-Y489 PolarHBondContact N-O 2.89Å; D433-Y489 PolarHBondContact O-N 3.42Å; Y489-S510 CarbonylContact C-O 3.54Å; Y489-S510 WeakPolarHBondContact CA-O 3.35Å; Y489-H511 HydrophobicContact CD1-CB 3.85Å; Y489-H511 HydrophobicContact CE1-CB 3.76Å; Y489-H511 AromaticContact CE1-CD2 3.82Å; Y489-H511 AromaticContact CE1-CG 3.76Å; Y489-H511 AromaticContact CZ-CD2 3.86Å; Y489-L640 HydrophobicContact CD1-CD1 4.34Å |
| 490 | V | 95.4 | Very high | 80.9 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 124.2 | 170.3 | -178.1 | 0 | 0 | 0 | 0 | 107.3 | I430 A431 V432 F488 L509 S510 I512 F536 L544 | I430-V490 HydrophobicContact CG2-CG1 3.43Å; I430-V490 VanDerWaalsContact CG2-CG1 3.43Å; A431-V490 WeakPolarHBondContact O-CA 3.31Å; V432-V490 HydrophobicContact CG2-CG2 4.32Å; F488-V490 HydrophobicContact CD2-CG2 4.4Å; F488-V490 HydrophobicContact CE2-CG2 4.27Å; V490-L509 HydrophobicContact CG1-CB 4.36Å; V490-L509 HydrophobicContact CG1-CD1 4.2Å; V490-L509 WeakPolarHBondContact O-CA 3.43Å; V490-L509 VanDerWaalsContact O-CB 3.28Å; V490-L509 WeakPolarHBondContact O-CB 3.28Å; V490-L509 PolarHBondContact O-N 2.75Å; V490-S510 WeakPolarHBondContact CB-OG 3.3Å; V490-S510 PolarHBondContact N-O 2.8Å; V490-S510 PolarHBondContact O-N 3.48Å; V490-S510 VanDerWaalsContact O-N 3.12Å; V490-I512 HydrophobicContact CG2-CD1 3.61Å; V490-F536 HydrophobicContact CG2-CE1 3.96Å; V490-F536 HydrophobicContact CG2-CZ 3.97Å; V490-L544 HydrophobicContact CG1-CD2 3.49Å; V490-L544 VanDerWaalsContact CG1-CD2 3.49Å |
| 491 | N | 92.3 | Very high | 79.3 | Confident | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 153.9 | -171.5 | -57.1 | -44.6 | 0 | 0 | 0 | 110.2 | I430 A431 D433 Y507 N508 | I430-N491 CarbonylContact C-O 3.42Å; I430-N491 WeakPolarHBondContact CA-O 3.22Å; A431-N491 PolarHBondContact N-O 2.82Å; A431-N491 PolarHBondContact O-N 3.22Å; D433-N491 PolarHBondContact OD2-ND2 3.32Å; N491-Y507 WeakPolarHBondContact CA-O 3.43Å; N491-Y507 HydrophobicContact CB-CD1 4.02Å; N491-Y507 HydrophobicContact CB-CE1 3.76Å; N491-N508 VanDerWaalsContact OD1-CA 3.29Å; N491-N508 WeakPolarHBondContact OD1-CA 3.41Å; N491-N508 PolarHBondContact OD1-ND2 3.06Å |
| 492 | Y | 91 | Very high | 77.8 | Confident | 13 Ų | 13 | 52.9 Ų | 52.9 | 5% | 0.051 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 150.3 | 158.6 | -71.1 | -55.3 | 0 | 0 | 0 | 109.9 | G166 Q167 Y428 P429 I430 Y507 L509 | G166-Y492 WeakPolarHBondContact CA-OH 3.49Å; Q167-Y492 WeakPolarHBondContact CG-OH 3.31Å; Q167-Y492 PolarHBondContact N-OH 3.27Å; Y428-Y492 VanDerWaalsContact CB-CE1 3.44Å; Y428-Y492 HydrophobicContact CD2-CE1 4.42Å; Y428-Y492 HydrophobicContact CG-CE1 4.24Å; P429-Y492 CarbonylContact O-C 3.58Å; P429-Y492 WeakPolarHBondContact O-CA 3.5Å; I430-Y492 HydrophobicContact CD1-CE1 4.38Å; I430-Y492 HydrophobicContact CG1-CD1 4.02Å; I430-Y492 HydrophobicContact CG1-CE1 4.11Å; Y492-Y507 PolarHBondContact N-O 3.15Å; Y492-Y507 WeakPolarHBondContact O-CE2 3.26Å; Y492-Y507 PolarHBondContact O-OH 2.81Å; Y492-L509 HydrophobicContact CD1-CD1 4.2Å; Y492-L509 HydrophobicContact CD2-CD2 3.96Å; Y492-L509 HydrophobicContact CD2-CG 4.33Å; Y492-L509 HydrophobicContact CE1-CD1 4.08Å; Y492-L509 HydrophobicContact CE1-CD2 4.39Å; Y492-L509 HydrophobicContact CE2-CD2 3.5Å; Y492-L509 HydrophobicContact CE2-CG 4.3Å; Y492-L509 HydrophobicContact CG-CD1 4.47Å |
| 493 | V | 85.9 | Confident | 76.2 | Confident | 29 Ų | 29 | 53.4 Ų | 53.4 | 18% | 0.176 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -87.5 | 135.8 | 170.2 | -174.1 | 0 | 0 | 0 | 0 | 108.6 | P429 A431 V463 H495 | P429-V493 HydrophobicContact CB-CB 4.05Å; P429-V493 HydrophobicContact CB-CG2 3.99Å; P429-V493 PolarHBondContact O-N 3.08Å; A431-V493 HydrophobicContact CB-CG2 3.52Å; V463-V493 HydrophobicContact CG2-CG2 4.23Å; V493-H495 PolarHBondContact O-N 3.34Å; V493-H495 PolarHBondContact O-ND1 2.8Å |
| 494 | D | 68.4 | Low | 74.4 | Confident | 107 Ų | 107 | 52.4 Ų | 52.4 | 57% | 0.572 | 29% | 0.288 | S | S | * | . | P | Polyproline II helix | trans | -48.4 | 134.7 | 176.7 | -64 | -66.3 | 0 | 0 | 0 | 111.8 | R461 Y507 | R461-D494 IonicContact NH1-OD2 2.96Å; D494-Y507 WeakPolarHBondContact OD1-CE2 3.35Å; D494-Y507 PolarHBondContact OD2-OH 2.77Å |
| 495 | H | 61.3 | Low | 72.3 | Confident | 48 Ų | 48 | 55.3 Ų | 55.3 | 22% | 0.222 | 30% | 0.301 | C | S | . | . | trans | -123.2 | 139.8 | 173.2 | -82.6 | 47.1 | 0 | 0 | 0 | 109.2 | P429 V493 A500 | P429-H495 WeakPolarHBondContact CD-CE1 3.19Å; P429-H495 WeakPolarHBondContact CD-NE2 3.21Å; P429-H495 WeakPolarHBondContact CG-CE1 3.43Å; P429-H495 WeakPolarHBondContact CG-NE2 3.5Å; V493-H495 PolarHBondContact O-N 3.34Å; V493-H495 PolarHBondContact O-ND1 2.8Å; H495-A500 VanDerWaalsContact O-CB 3.29Å; H495-A500 WeakPolarHBondContact O-CB 3.29Å | ||
| 496 | D | 55.9 | Low | 70.8 | Confident | 165 Ų | 165 | 53.9 Ų | 53.9 | 88% | 0.882 | 29% | 0.293 | S | S | * | . | trans | -70.9 | 152.4 | 169.7 | -67.9 | -44.8 | 0 | 0 | 0 | 111.3 | ||||
| 497 | G | 55.8 | Low | 69.9 | Low | 51 Ų | 51 | 56.1 Ų | 56.1 | 53% | 0.526 | 30% | 0.301 | S | S | . | . | S | Bend | trans | 85.5 | -159.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | A499 A500 | G497-A499 PolarHBondContact O-N 2.94Å; G497-A500 PolarHBondContact O-N 3.35Å |
| 498 | D | 53.3 | Low | 69.5 | Low | 51 Ų | 51 | 55.6 Ų | 55.6 | 27% | 0.273 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.5 | -24.7 | -171.5 | -70.3 | -44.1 | 0 | 0 | 0 | 114.1 | R348 A500 R501 F502 | R348-D498 IonicContact CZ-OD2 2.88Å; R348-D498 IonicContact NH1-OD2 3.65Å; R348-D498 PolarHBondContact NH1-OD2 2.78Å; R348-D498 IonicContact NH2-OD2 2.78Å; D498-A500 VanDerWaalsContact C-N 3.3Å; D498-A500 PolarHBondContact O-N 3.31Å; D498-R501 WeakPolarHBondContact O-CB 3.37Å; D498-R501 PolarHBondContact O-N 3.47Å; D498-R501 IonicContact OD1-CZ 2.73Å; D498-R501 IonicContact OD1-NE 2.75Å; D498-R501 IonicContact OD1-NH1 2.71Å; D498-R501 PolarHBondContact OD1-NH1 3.23Å; D498-F502 HydrophobicContact CB-CE2 4.49Å; D498-F502 VanDerWaalsContact O-CD2 3.22Å; D498-F502 WeakPolarHBondContact O-CD2 3.36Å; D498-F502 PolarHBondContact O-N 3.5Å |
| 499 | A | 56.6 | Low | 69.3 | Low | 18 Ų | 18 | 55.8 Ų | 55.8 | 15% | 0.149 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.9 | -40.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | G497 R501 F502 Q503 | G497-A499 PolarHBondContact O-N 2.94Å; A499-R501 VanDerWaalsContact C-N 3.29Å; A499-R501 PolarHBondContact O-N 2.79Å; A499-F502 PolarHBondContact O-N 3.38Å; A499-Q503 WeakPolarHBondContact O-CG 3.3Å; A499-Q503 PolarHBondContact O-N 3.26Å |
| 500 | A | 57.7 | Low | 69.3 | Low | 44 Ų | 44 | 52.5 Ų | 52.5 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.1 | -31.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | H495 G497 D498 | H495-A500 VanDerWaalsContact O-CB 3.29Å; H495-A500 WeakPolarHBondContact O-CB 3.29Å; G497-A500 PolarHBondContact O-N 3.35Å; D498-A500 VanDerWaalsContact C-N 3.3Å; D498-A500 PolarHBondContact O-N 3.31Å |
| 501 | R | 56.3 | Low | 69.3 | Low | 171 Ų | 171 | 54.3 Ų | 54.3 | 65% | 0.645 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -66.5 | -38.9 | 178 | -64.6 | 178.9 | 172.2 | 168.4 | -9.2 | 111.7 | P96 D498 A499 | P96-R501 VanDerWaalsContact CG-O 3.25Å; P96-R501 WeakPolarHBondContact CG-O 3.39Å; D498-R501 WeakPolarHBondContact O-CB 3.37Å; D498-R501 PolarHBondContact O-N 3.47Å; D498-R501 IonicContact OD1-CZ 2.73Å; D498-R501 IonicContact OD1-NE 2.75Å; D498-R501 IonicContact OD1-NH1 2.71Å; D498-R501 PolarHBondContact OD1-NH1 3.23Å; A499-R501 VanDerWaalsContact C-N 3.29Å; A499-R501 PolarHBondContact O-N 2.79Å |
| 502 | F | 59.4 | Low | 69.5 | Low | 29 Ų | 29 | 54.1 Ų | 54.1 | 13% | 0.127 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -88.7 | -13.9 | -178.7 | -67.3 | -74.8 | 0 | 0 | 0 | 114.3 | H95 P96 M97 P256 T257 D498 A499 G504 | H95-F502 PolarHBondContact NE2-O 3.27Å; P96-F502 HydrophobicContact CB-CD1 4.21Å; P96-F502 HydrophobicContact CB-CE1 3.76Å; P96-F502 HydrophobicContact CB-CZ 4.39Å; P96-F502 HydrophobicContact CG-CE1 4.46Å; M97-F502 HydrophobicContact CE-CE1 3.79Å; M97-F502 HydrophobicContact CG-CD1 3.96Å; M97-F502 HydrophobicContact CG-CE1 4.05Å; M97-F502 HydrophobicContact SD-CD1 4.3Å; M97-F502 HydrophobicContact SD-CE1 3.98Å; P256-F502 HydrophobicContact CB-CD1 4.17Å; P256-F502 HydrophobicContact CB-CD2 4.46Å; P256-F502 HydrophobicContact CB-CE1 4.35Å; P256-F502 HydrophobicContact CB-CG 4.28Å; P256-F502 HydrophobicContact CG-CB 4.37Å; P256-F502 HydrophobicContact CG-CD1 4.24Å; P256-F502 HydrophobicContact CG-CD2 3.78Å; P256-F502 HydrophobicContact CG-CE2 4.23Å; P256-F502 HydrophobicContact CG-CG 3.84Å; T257-F502 HydrophobicContact CG2-CE1 3.35Å; T257-F502 HydrophobicContact CG2-CE2 3.95Å; T257-F502 HydrophobicContact CG2-CZ 3.05Å; D498-F502 HydrophobicContact CB-CE2 4.49Å; D498-F502 VanDerWaalsContact O-CD2 3.22Å; D498-F502 WeakPolarHBondContact O-CD2 3.36Å; D498-F502 PolarHBondContact O-N 3.5Å; A499-F502 PolarHBondContact O-N 3.38Å; F502-G504 PolarHBondContact O-N 3.43Å |
| 503 | Q | 57.7 | Low | 69.8 | Low | 28 Ų | 28 | 54.8 Ų | 54.8 | 13% | 0.131 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70.1 | -19.7 | 167.7 | -76.1 | 174.3 | -23.8 | 0 | 0 | 112.2 | Y428 A499 | Y428-Q503 HydrophobicContact CD1-CG 4.28Å; Y428-Q503 HydrophobicContact CE1-CG 4.08Å; A499-Q503 WeakPolarHBondContact O-CG 3.3Å; A499-Q503 PolarHBondContact O-N 3.26Å |
| 504 | G | 52.7 | Low | 70.3 | Confident | 29 Ų | 29 | 53.4 Ų | 53.4 | 30% | 0.299 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64 | -168.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | F502 N506 | F502-G504 PolarHBondContact O-N 3.43Å; G504-N506 PolarHBondContact O-N 2.92Å; G504-N506 VanDerWaalsContact O-N 3.1Å |
| 505 | L | 49 | Very low | 71.6 | Confident | 140 Ų | 140 | 53.8 Ų | 53.8 | 73% | 0.733 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -2.3 | 178.6 | -68 | 163.1 | 0 | 0 | 0 | 113.5 | Y507 | L505-Y507 PolarHBondContact O-N 3.4Š|
| 506 | N | 61.8 | Low | 73.1 | Confident | 40 Ų | 40 | 55.4 Ų | 55.4 | 21% | 0.214 | 30% | 0.296 | C | S | . | . | trans | -87.5 | 47.8 | -171.8 | -66 | -8.2 | 0 | 0 | 0 | 111.9 | G504 N508 D641 | G504-N506 PolarHBondContact O-N 2.92Å; G504-N506 VanDerWaalsContact O-N 3.1Å; N506-N508 VanDerWaalsContact C-N 3.3Å; N506-D641 HydrophobicContact CB-CB 3.95Å; N506-D641 PolarHBondContact ND2-O 2.83Å; N506-D641 PolarHBondContact OD1-O 3.09Å | ||
| 507 | Y | 73.1 | Confident | 74.9 | Confident | 54 Ų | 54 | 47.6 Ų | 47.6 | 21% | 0.212 | 25% | 0.254 | C | S | . | . | trans | -64.9 | -36.9 | 178.3 | -177.5 | -98.6 | 0 | 0 | 0 | 112.1 | R461 N491 Y492 D494 L505 | R461-Y507 VanDerWaalsContact CZ-OH 3.26Å; R461-Y507 PolarHBondContact NH1-OH 3.47Å; R461-Y507 PolarHBondContact NH2-OH 3.08Å; N491-Y507 WeakPolarHBondContact CA-O 3.43Å; N491-Y507 HydrophobicContact CB-CD1 4.02Å; N491-Y507 HydrophobicContact CB-CE1 3.76Å; Y492-Y507 PolarHBondContact N-O 3.15Å; Y492-Y507 WeakPolarHBondContact O-CE2 3.26Å; Y492-Y507 PolarHBondContact O-OH 2.81Å; D494-Y507 WeakPolarHBondContact OD1-CE2 3.35Å; D494-Y507 PolarHBondContact OD2-OH 2.77Å; L505-Y507 PolarHBondContact O-N 3.4Å | ||
| 508 | N | 86.1 | Confident | 76.6 | Confident | 65 Ų | 65 | 47.4 Ų | 47.4 | 35% | 0.348 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 117.4 | 179.9 | -58 | 98.7 | 0 | 0 | 0 | 110.1 | N491 N506 L640 D641 | N491-N508 VanDerWaalsContact OD1-CA 3.29Å; N491-N508 WeakPolarHBondContact OD1-CA 3.41Å; N491-N508 PolarHBondContact OD1-ND2 3.06Å; N506-N508 VanDerWaalsContact C-N 3.3Å; N508-L640 HydrophobicContact CB-CB 4.04Å; N508-L640 HydrophobicContact CB-CD1 3.92Å; N508-L640 CarbonylContact O-C 3.26Å; N508-L640 WeakPolarHBondContact O-CB 3.41Å; N508-D641 WeakPolarHBondContact O-CA 3.46Å; N508-D641 WeakPolarHBondContact O-CB 3.41Å; N508-D641 PolarHBondContact O-N 3.01Å |
| 509 | L | 92.1 | Very high | 78.5 | Confident | 5 Ų | 5 | 52.7 Ų | 52.7 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | -51.2 | 179.5 | -63.8 | 175.7 | 0 | 0 | 0 | 111 | Q167 I430 V490 Y492 Y639 L640 D641 | Q167-L509 HydrophobicContact CB-CD2 3.88Å; Q167-L509 HydrophobicContact CG-CD1 4.06Å; Q167-L509 HydrophobicContact CG-CD2 3.87Å; I430-L509 HydrophobicContact CD1-CD1 3.83Å; I430-L509 HydrophobicContact CG1-CD1 4.12Å; I430-L509 HydrophobicContact CG2-CD1 4.11Å; V490-L509 HydrophobicContact CG1-CB 4.36Å; V490-L509 HydrophobicContact CG1-CD1 4.2Å; V490-L509 WeakPolarHBondContact O-CA 3.43Å; V490-L509 VanDerWaalsContact O-CB 3.28Å; V490-L509 WeakPolarHBondContact O-CB 3.28Å; V490-L509 PolarHBondContact O-N 2.75Å; Y492-L509 HydrophobicContact CD1-CD1 4.2Å; Y492-L509 HydrophobicContact CD2-CD2 3.96Å; Y492-L509 HydrophobicContact CD2-CG 4.33Å; Y492-L509 HydrophobicContact CE1-CD1 4.08Å; Y492-L509 HydrophobicContact CE1-CD2 4.39Å; Y492-L509 HydrophobicContact CE2-CD2 3.5Å; Y492-L509 HydrophobicContact CE2-CG 4.3Å; Y492-L509 HydrophobicContact CG-CD1 4.47Å; L509-Y639 WeakPolarHBondContact O-CA 3.39Å; L509-L640 PolarHBondContact O-N 2.91Å; L509-D641 HydrophobicContact CD2-CB 4.02Å; L509-D641 WeakPolarHBondContact CD2-OD2 3.28Å; L509-D641 VanDerWaalsContact O-OD1 3.11Å |
| 510 | S | 94.2 | Very high | 80.1 | Confident | 12 Ų | 12 | 52.2 Ų | 52.2 | 8% | 0.084 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 154.3 | 179.8 | 53.5 | 0 | 0 | 0 | 0 | 112.8 | Y489 V490 I512 V638 | Y489-S510 CarbonylContact C-O 3.54Å; Y489-S510 WeakPolarHBondContact CA-O 3.35Å; V490-S510 WeakPolarHBondContact CB-OG 3.3Å; V490-S510 PolarHBondContact N-O 2.8Å; V490-S510 PolarHBondContact O-N 3.48Å; V490-S510 VanDerWaalsContact O-N 3.12Å; S510-I512 WeakPolarHBondContact OG-CD1 3.36Å; S510-V638 CarbonylContact C-O 3.56Å; S510-V638 WeakPolarHBondContact CA-O 3.47Å; S510-V638 WeakPolarHBondContact CB-O 3.38Å |
| 511 | H | 95.1 | Very high | 81.6 | Confident | 37 Ų | 37 | 50.6 Ų | 50.6 | 17% | 0.171 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 130.4 | 167.3 | 167.6 | -135.2 | 0 | 0 | 0 | 108.4 | D487 Y489 T513 A637 V638 L640 | D487-H511 IonicContact OD1-CD2 2.7Å; D487-H511 IonicContact OD1-CE1 3.98Å; D487-H511 PolarHBondContact OD1-CE1 2.9Å; D487-H511 IonicContact OD1-NE2 3.78Å; D487-H511 PolarHBondContact OD1-NE2 3.22Å; Y489-H511 HydrophobicContact CD1-CB 3.85Å; Y489-H511 HydrophobicContact CE1-CB 3.76Å; Y489-H511 AromaticContact CE1-CD2 3.82Å; Y489-H511 AromaticContact CE1-CG 3.76Å; Y489-H511 AromaticContact CZ-CD2 3.86Å; H511-T513 PolarHBondContact CE1-OG1 3.02Å; H511-T513 VanDerWaalsContact CE1-OG1 3.26Å; H511-T513 PolarHBondContact NE2-OG1 3.44Å; H511-A637 WeakPolarHBondContact O-CA 3.12Å; H511-V638 PolarHBondContact N-O 2.82Å; H511-V638 PolarHBondContact O-N 3.32Å; H511-L640 HydrophobicContact CB-CD1 3.87Å; H511-L640 HydrophobicContact CB-CG 4.44Å |
| 512 | I | 96.9 | Very high | 83.2 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 126.9 | -178.6 | -58.5 | 74.4 | 0 | 0 | 0 | 108.4 | D487 F488 V490 S510 L546 Y635 E636 A637 | D487-I512 WeakPolarHBondContact CA-O 3.47Å; F488-I512 HydrophobicContact CD1-CB 4.1Å; F488-I512 HydrophobicContact CD1-CG2 4.32Å; F488-I512 HydrophobicContact CD2-CB 4.03Å; F488-I512 HydrophobicContact CD2-CD1 3.95Å; F488-I512 HydrophobicContact CD2-CG1 4.28Å; F488-I512 HydrophobicContact CE1-CB 3.69Å; F488-I512 HydrophobicContact CE1-CG2 3.52Å; F488-I512 HydrophobicContact CE2-CB 3.55Å; F488-I512 HydrophobicContact CE2-CD1 3.55Å; F488-I512 HydrophobicContact CE2-CG1 3.56Å; F488-I512 HydrophobicContact CE2-CG2 4.09Å; F488-I512 HydrophobicContact CG-CB 4.31Å; F488-I512 HydrophobicContact CZ-CB 3.42Å; F488-I512 VanDerWaalsContact CZ-CB 3.42Å; F488-I512 HydrophobicContact CZ-CD1 4.26Å; F488-I512 HydrophobicContact CZ-CG1 3.75Å; F488-I512 HydrophobicContact CZ-CG2 3.41Å; F488-I512 VanDerWaalsContact CZ-CG2 3.41Å; F488-I512 PolarHBondContact N-O 3.45Å; F488-I512 PolarHBondContact O-N 3.25Å; V490-I512 HydrophobicContact CG2-CD1 3.61Å; S510-I512 WeakPolarHBondContact OG-CD1 3.36Å; I512-L546 HydrophobicContact CB-CD2 4.47Å; I512-L546 HydrophobicContact CG1-CD2 3.82Å; I512-L546 HydrophobicContact CG2-CD2 3.78Å; I512-Y635 HydrophobicContact CG2-CD2 4.23Å; I512-Y635 HydrophobicContact CG2-CG 4.48Å; I512-E636 CarbonylContact C-O 3.57Å; I512-E636 VanDerWaalsContact CA-O 3.31Å; I512-E636 WeakPolarHBondContact CA-O 3.38Å; I512-A637 HydrophobicContact CG1-CB 4.24Å |
| 513 | T | 97.3 | Very high | 84.6 | Confident | 26 Ų | 26 | 55 Ų | 55 | 16% | 0.16 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 118.1 | 172.1 | -56.4 | 0 | 0 | 0 | 0 | 109.2 | D487 H511 Y635 E636 | D487-T513 WeakPolarHBondContact OD1-CB 3.2Å; D487-T513 WeakPolarHBondContact OD1-CG2 3.24Å; D487-T513 PolarHBondContact OD1-OG1 3.07Å; H511-T513 PolarHBondContact CE1-OG1 3.02Å; H511-T513 VanDerWaalsContact CE1-OG1 3.26Å; H511-T513 PolarHBondContact NE2-OG1 3.44Å; T513-Y635 CarbonylContact O-C 3.33Å; T513-Y635 VanDerWaalsContact O-CA 3.31Å; T513-Y635 WeakPolarHBondContact O-CA 3.17Å; T513-E636 PolarHBondContact N-O 3.34Å; T513-E636 PolarHBondContact O-N 3.46Å |
| 514 | T | 96.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 150.8 | 173.8 | 55.8 | 0 | 0 | 0 | 0 | 110.9 | D485 L486 F488 V549 | D485-T514 WeakPolarHBondContact CB-O 3.49Å; L486-T514 HydrophobicContact CD2-CG2 4.13Å; L486-T514 HydrophobicContact CG-CG2 4.2Å; L486-T514 PolarHBondContact N-OG1 2.99Å; L486-T514 PolarHBondContact O-N 3.28Å; L486-T514 PolarHBondContact O-OG1 3.08Å; F488-T514 HydrophobicContact CE1-CG2 4.27Å; T514-V549 HydrophobicContact CG2-CG1 3.84Å; T514-V549 HydrophobicContact CG2-CG2 4.46Å |
| 515 | R | 95.1 | Very high | 87.8 | Confident | 116 Ų | 116 | 60.7 Ų | 60.7 | 44% | 0.438 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 145.1 | -177.8 | -58.7 | -74 | -170 | 178.4 | -1.4 | 110.1 | V517 I633 D634 E636 | R515-V517 PolarHBondContact O-N 3.16Å; R515-I633 WeakPolarHBondContact O-CG2 3Å; R515-D634 HydrophobicContact CB-CB 4.09Å; R515-D634 PolarHBondContact N-O 3.39Å; R515-E636 IonicContact CZ-OE2 3.04Å; R515-E636 IonicContact NE-OE2 2.7Å; R515-E636 IonicContact NH2-OE2 3.58Å; R515-E636 PolarHBondContact NH2-OE2 3.46Å |
| 516 | N | 92.8 | Very high | 89.7 | Confident | 82 Ų | 82 | 57.6 Ų | 57.6 | 44% | 0.439 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 64.5 | 17.6 | 172.4 | -55.8 | -52.9 | 0 | 0 | 0 | 115.6 | D485 S518 K519 A520 D634 | D485-N516 PolarHBondContact OD1-N 3.38Å; D485-N516 PolarHBondContact OD2-N 3.31Å; N516-S518 VanDerWaalsContact C-N 3.29Å; N516-S518 PolarHBondContact O-N 3.29Å; N516-K519 HydrophobicContact CB-CB 4.46Å; N516-K519 WeakPolarHBondContact O-CB 3.41Å; N516-K519 PolarHBondContact O-N 3.47Å; N516-K519 VanDerWaalsContact O-N 3.08Å; N516-A520 PolarHBondContact O-N 2.91Å; N516-D634 PolarHBondContact ND2-OD2 2.99Å |
| 517 | V | 93.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.1 | -42.2 | 178.5 | -178.9 | 0 | 0 | 0 | 0 | 110.7 | T484 D485 R515 K519 A520 A521 V532 I633 | T484-V517 WeakPolarHBondContact O-CG1 3.28Å; D485-V517 WeakPolarHBondContact OD1-CB 3.49Å; D485-V517 PolarHBondContact OD1-N 2.82Å; R515-V517 PolarHBondContact O-N 3.16Å; V517-K519 PolarHBondContact O-N 2.8Å; V517-A520 PolarHBondContact O-N 2.98Å; V517-A521 WeakPolarHBondContact O-CB 3.44Å; V517-A521 PolarHBondContact O-N 2.84Å; V517-V532 HydrophobicContact CG1-CG2 3.7Å; V517-V532 HydrophobicContact CG2-CG2 4.28Å; V517-I633 HydrophobicContact CG2-CG2 3.74Å |
| 518 | S | 91.9 | Very high | 91.9 | Very high | 48 Ų | 48 | 57.6 Ų | 57.6 | 34% | 0.336 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.5 | -30.2 | 178.5 | -66 | 0 | 0 | 0 | 0 | 113.7 | I483 T484 N516 K522 | I483-S518 WeakPolarHBondContact O-CA 3.31Å; T484-S518 WeakPolarHBondContact CA-OG 3.17Å; N516-S518 VanDerWaalsContact C-N 3.29Å; N516-S518 PolarHBondContact O-N 3.29Å; S518-K522 WeakPolarHBondContact O-CG 3.36Å |
| 519 | K | 92.2 | Very high | 92.2 | Very high | 162 Ų | 162 | 55.8 Ų | 55.8 | 70% | 0.704 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -76.6 | -48.1 | 178.6 | -177.5 | -175.3 | 174.5 | -171.4 | 0 | 109.8 | N516 V517 K522 H523 | N516-K519 HydrophobicContact CB-CB 4.46Å; N516-K519 WeakPolarHBondContact O-CB 3.41Å; N516-K519 PolarHBondContact O-N 3.47Å; N516-K519 VanDerWaalsContact O-N 3.08Å; V517-K519 PolarHBondContact O-N 2.8Å; K519-K522 PolarHBondContact O-N 2.78Å; K519-H523 PolarHBondContact O-N 2.72Å |
| 520 | A | 90.3 | Very high | 92.2 | Very high | 7 Ų | 7 | 60.7 Ų | 60.7 | 6% | 0.058 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.1 | -47.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | N516 V517 K522 H523 F553 I633 | N516-A520 PolarHBondContact O-N 2.91Å; V517-A520 PolarHBondContact O-N 2.98Å; A520-K522 PolarHBondContact O-N 2.88Å; A520-H523 WeakPolarHBondContact O-CB 3.49Å; A520-H523 PolarHBondContact O-N 2.82Å; A520-F553 WeakPolarHBondContact O-CZ 3.34Å; A520-I633 HydrophobicContact CB-CD1 3.31Å |
| 521 | A | 89.2 | Confident | 92.2 | Very high | 11 Ų | 11 | 60.1 Ų | 60.1 | 9% | 0.091 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -20.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | I483 V517 P529 | I483-A521 HydrophobicContact CB-CB 4.24Å; V517-A521 WeakPolarHBondContact O-CB 3.44Å; V517-A521 PolarHBondContact O-N 2.84Å; A521-P529 HydrophobicContact CB-CB 3.87Å; A521-P529 HydrophobicContact CB-CG 3.95Å; A521-P529 WeakPolarHBondContact O-CG 3.21Å |
| 522 | K | 90.3 | Very high | 92.2 | Very high | 177 Ų | 177 | 58.4 Ų | 58.4 | 77% | 0.77 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | 0.2 | 177.4 | -65.5 | 175.4 | -176.1 | 174.6 | 0 | 113.8 | S518 K519 A520 Y524 | S518-K522 WeakPolarHBondContact O-CG 3.36Å; K519-K522 PolarHBondContact O-N 2.78Å; A520-K522 PolarHBondContact O-N 2.88Å; K522-Y524 PolarHBondContact O-N 3.04Å |
| 523 | H | 89.4 | Confident | 92.2 | Very high | 114 Ų | 114 | 59.2 Ų | 59.2 | 53% | 0.528 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -39.7 | -171.3 | -165.2 | 172.3 | 0 | 0 | 0 | 111.8 | K519 A520 E631 | K519-H523 PolarHBondContact O-N 2.72Å; A520-H523 WeakPolarHBondContact O-CB 3.49Å; A520-H523 PolarHBondContact O-N 2.82Å; H523-E631 IonicContact CE1-OE1 2.93Å; H523-E631 IonicContact CG-OE1 3.98Å; H523-E631 IonicContact CG-OE2 3.45Å; H523-E631 IonicContact ND1-OE1 3.79Å; H523-E631 PolarHBondContact ND1-OE1 3.43Å; H523-E631 IonicContact ND1-OE2 3.74Å |
| 524 | Y | 89.2 | Confident | 92.2 | Very high | 66 Ų | 66 | 58 Ų | 58 | 26% | 0.259 | 28% | 0.279 | S | S | . | . | trans | -106.3 | 113.8 | -175.7 | -56.9 | -69.8 | 0 | 0 | 0 | 111.8 | K522 F526 F553 F629 E631 | K522-Y524 PolarHBondContact O-N 3.04Å; Y524-F526 AromaticContact CD1-CE1 3.53Å; Y524-F526 HydrophobicContact CD1-CE1 3.53Å; Y524-F526 HydrophobicContact CD1-CE2 4.31Å; Y524-F526 AromaticContact CD1-CZ 3.37Å; Y524-F526 HydrophobicContact CD1-CZ 3.37Å; Y524-F526 HydrophobicContact CE1-CE1 4.43Å; Y524-F526 HydrophobicContact CE1-CZ 4.09Å; Y524-F526 HydrophobicContact CG-CE1 4.24Å; Y524-F526 AromaticContact CG-CZ 3.99Å; Y524-F526 HydrophobicContact CG-CZ 3.99Å; Y524-F526 PolarHBondContact O-N 3.29Å; Y524-F553 HydrophobicContact CD2-CD1 4.01Å; Y524-F553 HydrophobicContact CD2-CD2 4.12Å; Y524-F553 AromaticContact CD2-CE1 3.9Å; Y524-F553 HydrophobicContact CD2-CE1 3.9Å; Y524-F553 HydrophobicContact CD2-CE2 4Å; Y524-F553 HydrophobicContact CD2-CG 4.13Å; Y524-F553 AromaticContact CD2-CZ 3.91Å; Y524-F553 HydrophobicContact CD2-CZ 3.91Å; Y524-F553 HydrophobicContact CE2-CD2 4.3Å; Y524-F553 HydrophobicContact CE2-CE2 4.1Å; Y524-F553 HydrophobicContact CE2-CZ 4.35Å; Y524-F629 AromaticContact CD2-CE2 3.62Å; Y524-F629 HydrophobicContact CD2-CE2 3.62Å; Y524-F629 AromaticContact CD2-CZ 3.86Å; Y524-F629 HydrophobicContact CD2-CZ 3.86Å; Y524-F629 AromaticContact CE2-CE2 3.61Å; Y524-F629 HydrophobicContact CE2-CE2 3.61Å; Y524-F629 HydrophobicContact CE2-CZ 4.3Å; Y524-F629 HydrophobicContact CG-CE2 4.1Å; Y524-F629 AromaticContact CG-CZ 3.97Å; Y524-F629 HydrophobicContact CG-CZ 3.97Å; Y524-E631 HydrophobicContact CE2-CB 4.39Å; Y524-E631 WeakPolarHBondContact CE2-OE2 3.41Å | ||
| 525 | S | 87.4 | Confident | 92.2 | Very high | 112 Ų | 112 | 58.3 Ų | 58.3 | 78% | 0.783 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -12.4 | 173.7 | 58.6 | 0 | 0 | 0 | 0 | 113.9 | ||
| 526 | F | 88.8 | Confident | 92.3 | Very high | 75 Ų | 75 | 52.9 Ų | 52.9 | 33% | 0.329 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 3.6 | 179.4 | 62.1 | -97.2 | 0 | 0 | 0 | 113.1 | Y524 I556 I620 F629 | Y524-F526 AromaticContact CD1-CE1 3.53Å; Y524-F526 HydrophobicContact CD1-CE1 3.53Å; Y524-F526 HydrophobicContact CD1-CE2 4.31Å; Y524-F526 AromaticContact CD1-CZ 3.37Å; Y524-F526 HydrophobicContact CD1-CZ 3.37Å; Y524-F526 HydrophobicContact CE1-CE1 4.43Å; Y524-F526 HydrophobicContact CE1-CZ 4.09Å; Y524-F526 HydrophobicContact CG-CE1 4.24Å; Y524-F526 AromaticContact CG-CZ 3.99Å; Y524-F526 HydrophobicContact CG-CZ 3.99Å; Y524-F526 PolarHBondContact O-N 3.29Å; F526-I556 PolarHBondContact O-N 2.8Å; F526-I620 HydrophobicContact CE2-CD1 4.25Å; F526-I620 HydrophobicContact CZ-CD1 4.41Å; F526-F629 AromaticContact CE2-CE1 3.98Å; F526-F629 HydrophobicContact CE2-CE1 3.98Å; F526-F629 AromaticContact CE2-CZ 3.83Å; F526-F629 HydrophobicContact CE2-CZ 3.83Å; F526-F629 HydrophobicContact CZ-CZ 4.35Å |
| 527 | A | 90.9 | Very high | 92.5 | Very high | 5 Ų | 5 | 50.5 Ų | 50.5 | 4% | 0.041 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 150.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | F553 H554 F629 | A527-F553 HydrophobicContact CB-CB 3.98Å; A527-F553 HydrophobicContact CB-CD1 4.14Å; A527-F553 HydrophobicContact CB-CG 4.45Å; A527-H554 CarbonylContact C-O 3.46Å; A527-H554 WeakPolarHBondContact CA-O 3.32Å; A527-H554 WeakPolarHBondContact CB-O 3.38Å; A527-F629 HydrophobicContact CB-CE1 3.51Å; A527-F629 HydrophobicContact CB-CZ 3.5Å; A527-F629 VanDerWaalsContact CB-CZ 3.5Å |
| 528 | E | 90.9 | Very high | 92.7 | Very high | 88 Ų | 88 | 50.6 Ų | 50.6 | 41% | 0.411 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 132.6 | 177 | -72.5 | 174.8 | 175.1 | 0 | 0 | 110.9 | R530 F553 H554 I556 | E528-R530 IonicContact OE2-CZ 3.8Å; E528-R530 IonicContact OE2-NE 3.35Å; E528-R530 IonicContact OE2-NH2 3.55Å; E528-R530 PolarHBondContact OE2-NH2 2.99Å; E528-F553 WeakPolarHBondContact O-CA 3.42Å; E528-H554 PolarHBondContact N-O 3.37Å; E528-H554 PolarHBondContact O-N 2.88Å; E528-I556 HydrophobicContact CG-CD1 3.98Å; E528-I556 HydrophobicContact CG-CG1 3.76Å |
| 529 | P | 92.1 | Very high | 92.9 | Very high | 27 Ų | 27 | 49.9 Ų | 49.9 | 18% | 0.175 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 135.1 | 171.3 | 32.2 | -36.7 | 0 | 0 | 0 | 110.2 | I483 A521 I552 F553 | I483-P529 HydrophobicContact CG2-CB 3.91Å; I483-P529 HydrophobicContact CG2-CG 4.01Å; A521-P529 HydrophobicContact CB-CB 3.87Å; A521-P529 HydrophobicContact CB-CG 3.95Å; A521-P529 WeakPolarHBondContact O-CG 3.21Å; P529-I552 CarbonylContact C-O 3.55Å; P529-I552 WeakPolarHBondContact CA-O 3.38Å; P529-F553 HydrophobicContact CB-CD1 4.31Å; P529-F553 HydrophobicContact CB-CE1 3.92Å; P529-F553 HydrophobicContact CB-CZ 4.47Å |
| 530 | R | 91.7 | Very high | 93 | Very high | 109 Ų | 109 | 46.5 Ų | 46.5 | 41% | 0.411 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | -12.4 | 179.7 | -68.7 | -59.4 | 179.6 | 152.4 | -11.7 | 114.4 | R481 E528 I552 H554 | R481-R530 PolarHBondContact N-O 2.77Å; E528-R530 IonicContact OE2-CZ 3.8Å; E528-R530 IonicContact OE2-NE 3.35Å; E528-R530 IonicContact OE2-NH2 3.55Å; E528-R530 PolarHBondContact OE2-NH2 2.99Å; R530-I552 PolarHBondContact N-O 3Å; R530-H554 HydrophobicContact CG-CB 4.32Å; R530-H554 WeakPolarHBondContact CG-ND1 3.36Å |
| 531 | G | 93.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 156.4 | -168.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F479 H482 C551 I552 | F479-G531 VanDerWaalsContact O-CA 3.24Å; F479-G531 WeakPolarHBondContact O-CA 3.48Å; H482-G531 CarbonylContact O-C 3.4Å; H482-G531 VanDerWaalsContact O-CA 3.3Å; H482-G531 WeakPolarHBondContact O-CA 3.36Å; G531-C551 WeakPolarHBondContact O-CA 3.5Å; G531-C551 PolarHBondContact O-SG 3.25Å; G531-I552 PolarHBondContact O-N 2.77Å |
| 532 | V | 95.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 147.4 | 173.2 | 179.5 | 0 | 0 | 0 | 0 | 109.5 | K478 F479 H482 L486 V517 V549 S550 | K478-V532 CarbonylContact C-O 3.54Å; F479-V532 HydrophobicContact CB-CB 4.25Å; F479-V532 HydrophobicContact CD2-CB 4.16Å; F479-V532 HydrophobicContact CD2-CG1 4.19Å; F479-V532 PolarHBondContact N-O 3.23Å; F479-V532 PolarHBondContact O-N 2.84Å; F479-V532 VanDerWaalsContact O-N 3.09Å; H482-V532 HydrophobicContact CB-CG2 4.39Å; L486-V532 HydrophobicContact CD2-CB 3.65Å; L486-V532 HydrophobicContact CD2-CG1 3.8Å; L486-V532 HydrophobicContact CD2-CG2 3.76Å; V517-V532 HydrophobicContact CG1-CG2 3.7Å; V517-V532 HydrophobicContact CG2-CG2 4.28Å; V532-V549 HydrophobicContact CG1-CG1 3.19Å; V532-S550 CarbonylContact C-O 3.51Å; V532-S550 VanDerWaalsContact CA-O 3.29Å; V532-S550 WeakPolarHBondContact CA-O 3.29Å |
| 533 | K | 96.6 | Very high | 93.8 | Very high | 18 Ų | 18 | 39.1 Ų | 39.1 | 8% | 0.078 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 123.7 | 173.4 | -172.5 | 178 | 171.2 | -168.8 | 0 | 108.8 | A476 I477 K478 H535 V549 S550 I552 D607 F630 | A476-K533 HydrophobicContact CB-CD 4.26Å; A476-K533 HydrophobicContact CB-CG 4.07Å; I477-K533 CarbonylContact O-C 3.5Å; I477-K533 VanDerWaalsContact O-CA 3.28Å; I477-K533 WeakPolarHBondContact O-CA 3.28Å; K478-K533 HydrophobicContact CG-CD 4.43Å; K478-K533 HydrophobicContact CG-CG 4.17Å; K533-H535 VanDerWaalsContact CE-CE1 3.42Å; K533-H535 WeakPolarHBondContact CE-CE1 3.48Å; K533-V549 CarbonylContact O-C 3.52Å; K533-V549 WeakPolarHBondContact O-CA 3.34Å; K533-S550 PolarHBondContact N-O 2.81Å; K533-S550 PolarHBondContact O-N 3.42Å; K533-I552 HydrophobicContact CB-CD1 4.02Å; K533-I552 HydrophobicContact CB-CG1 4.04Å; K533-D607 WeakPolarHBondContact CE-OD1 3.11Å; K533-D607 IonicContact NZ-OD1 3.03Å; K533-D607 PolarHBondContact NZ-OD1 3.36Å; K533-F630 HydrophobicContact CD-CD1 4.44Å; K533-F630 HydrophobicContact CD-CE1 3.81Å; K533-F630 HydrophobicContact CD-CZ 4.49Å |
| 534 | A | 97.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 133.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | A476 I477 F479 F488 F536 L546 V549 | A476-A534 CarbonylContact C-O 3.45Å; A476-A534 WeakPolarHBondContact CA-O 2.88Å; A476-A534 VanDerWaalsContact CB-O 3.31Å; A476-A534 WeakPolarHBondContact CB-O 3.19Å; I477-A534 HydrophobicContact CG2-CB 3.88Å; I477-A534 PolarHBondContact N-O 3.14Å; I477-A534 PolarHBondContact O-N 2.76Å; F479-A534 HydrophobicContact CE2-CB 3.71Å; F479-A534 HydrophobicContact CZ-CB 4.42Å; F488-A534 HydrophobicContact CZ-CB 3.99Å; A534-F536 HydrophobicContact CB-CD2 4.4Å; A534-F536 HydrophobicContact CB-CE2 3.73Å; A534-F536 HydrophobicContact CB-CZ 4.3Å; A534-L546 HydrophobicContact CB-CD1 3.92Å; A534-V549 HydrophobicContact CB-CG2 4.24Å |
| 535 | H | 97.3 | Very high | 94.5 | Very high | 7 Ų | 7 | 33.7 Ų | 33.7 | 3% | 0.032 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 113.2 | -173.1 | -60.1 | -100.9 | 0 | 0 | 0 | 109.4 | K533 N547 G548 S550 D607 | K533-H535 VanDerWaalsContact CE-CE1 3.42Å; K533-H535 WeakPolarHBondContact CE-CE1 3.48Å; H535-N547 PolarHBondContact O-N 2.9Å; H535-G548 PolarHBondContact N-O 2.62Å; H535-G548 PolarHBondContact O-N 3.25Å; H535-S550 PolarHBondContact NE2-OG 2.99Å; H535-D607 IonicContact CE1-OD1 3.31Å; H535-D607 PolarHBondContact CE1-OD1 3.41Å; H535-D607 IonicContact CE1-OD2 3.65Å; H535-D607 IonicContact CG-OD2 3.17Å; H535-D607 IonicContact ND1-OD1 3.55Å; H535-D607 PolarHBondContact ND1-OD1 3.3Å; H535-D607 IonicContact ND1-OD2 2.73Å; H535-D607 PolarHBondContact ND1-OD2 3.13Å |
| 536 | F | 97.7 | Very high | 94.9 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.009 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 150.4 | -177.9 | -66.6 | -88.7 | 0 | 0 | 0 | 111.9 | V432 L464 F465 K474 R475 I477 F488 V490 A534 L544 V545 L546 | V432-F536 HydrophobicContact CG2-CE2 4.18Å; V432-F536 HydrophobicContact CG2-CZ 4.2Å; L464-F536 HydrophobicContact CD1-CB 4.44Å; L464-F536 HydrophobicContact CD1-CD2 3.95Å; L464-F536 HydrophobicContact CD1-CG 4.47Å; L464-F536 HydrophobicContact CD2-CB 3.68Å; L464-F536 HydrophobicContact CD2-CD1 3.94Å; L464-F536 HydrophobicContact CD2-CD2 3.55Å; L464-F536 HydrophobicContact CD2-CE1 4.41Å; L464-F536 HydrophobicContact CD2-CE2 4.07Å; L464-F536 HydrophobicContact CD2-CG 3.46Å; L464-F536 VanDerWaalsContact CD2-CG 3.46Å; L464-F536 HydrophobicContact CD2-CZ 4.45Å; L464-F536 HydrophobicContact CG-CD2 4.42Å; F465-F536 HydrophobicContact CE2-CB 4.38Å; K474-F536 WeakPolarHBondContact CA-O 3.02Å; R475-F536 PolarHBondContact N-O 2.78Å; R475-F536 CarbonylContact O-C 3.55Å; R475-F536 WeakPolarHBondContact O-CA 3.17Å; R475-F536 PolarHBondContact O-N 3.41Å; I477-F536 HydrophobicContact CG2-CD2 4.47Å; I477-F536 HydrophobicContact CG2-CE2 3.83Å; F488-F536 AromaticContact CE2-CZ 3.84Å; F488-F536 HydrophobicContact CE2-CZ 3.84Å; F488-F536 HydrophobicContact CZ-CZ 4.41Å; V490-F536 HydrophobicContact CG2-CE1 3.96Å; V490-F536 HydrophobicContact CG2-CZ 3.97Å; A534-F536 HydrophobicContact CB-CD2 4.4Å; A534-F536 HydrophobicContact CB-CE2 3.73Å; A534-F536 HydrophobicContact CB-CZ 4.3Å; F536-L544 HydrophobicContact CB-CD1 4.08Å; F536-L544 HydrophobicContact CD1-CD1 4.01Å; F536-L544 HydrophobicContact CD1-CD2 4.12Å; F536-L544 HydrophobicContact CD1-CG 4.07Å; F536-L544 HydrophobicContact CE1-CD2 4.31Å; F536-L544 HydrophobicContact CG-CD1 4.4Å; F536-V545 CarbonylContact C-O 3.58Å; F536-V545 WeakPolarHBondContact CA-O 3.49Å; F536-L546 HydrophobicContact CD1-CB 4.18Å; F536-L546 HydrophobicContact CD1-CD1 4.14Å; F536-L546 HydrophobicContact CE1-CB 4.01Å; F536-L546 HydrophobicContact CE1-CD1 3.89Å; F536-L546 HydrophobicContact CE1-CG 4.46Å; F536-L546 HydrophobicContact CE2-CD1 4.29Å; F536-L546 HydrophobicContact CG-CD1 4.46Å; F536-L546 HydrophobicContact CZ-CD1 3.99Å |
| 537 | I | 97 | Very high | 95.2 | Very high | 33 Ų | 33 | 29.7 Ų | 29.7 | 17% | 0.169 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 125.5 | 172.4 | -52 | -176.3 | 0 | 0 | 0 | 107.3 | K474 V545 N547 | K474-I537 HydrophobicContact CD-CD1 4.43Å; K474-I537 HydrophobicContact CG-CD1 4.29Å; K474-I537 HydrophobicContact CG-CG1 4.02Å; K474-I537 HydrophobicContact CG-CG2 4.37Å; I537-V545 PolarHBondContact N-O 2.94Å; I537-V545 PolarHBondContact O-N 3.04Å; I537-N547 HydrophobicContact CD1-CB 3.82Å; I537-N547 HydrophobicContact CG1-CB 3.94Å |
| 538 | M | 96.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 109.1 | 155.9 | -164.1 | 73.8 | 56.6 | 0 | 0 | 105.8 | I430 F465 F471 P472 Q473 L544 | I430-M538 HydrophobicContact CD1-CE 3.81Å; F465-M538 HydrophobicContact CB-CE 4.07Å; F465-M538 HydrophobicContact CD1-CB 4.31Å; F465-M538 HydrophobicContact CD1-CE 4.05Å; F465-M538 HydrophobicContact CD2-CE 3.43Å; F465-M538 VanDerWaalsContact CD2-CE 3.43Å; F465-M538 HydrophobicContact CE1-CB 3.78Å; F465-M538 HydrophobicContact CE1-CE 4.39Å; F465-M538 HydrophobicContact CE2-CB 4.33Å; F465-M538 HydrophobicContact CE2-CE 3.83Å; F465-M538 HydrophobicContact CG-CE 3.57Å; F465-M538 HydrophobicContact CZ-CB 3.8Å; F465-M538 HydrophobicContact CZ-CE 4.29Å; F471-M538 HydrophobicContact CB-CB 3.88Å; F471-M538 HydrophobicContact CB-CG 3.41Å; F471-M538 VanDerWaalsContact CB-CG 3.41Å; F471-M538 HydrophobicContact CD1-CG 4.29Å; F471-M538 HydrophobicContact CG-CG 3.9Å; P472-M538 CarbonylContact C-O 3.55Å; P472-M538 WeakPolarHBondContact CA-O 3.3Å; Q473-M538 PolarHBondContact N-O 2.76Å; Q473-M538 PolarHBondContact O-N 3.04Å; M538-L544 HydrophobicContact CE-CB 4.4Å; M538-L544 HydrophobicContact CE-CD1 4Å; M538-L544 HydrophobicContact SD-CB 4.42Å |
| 539 | D | 95.8 | Very high | 95.8 | Very high | 34 Ų | 34 | 26.1 Ų | 26.1 | 18% | 0.182 | 13% | 0.134 | C | C | . | . | trans | -80 | -173.3 | -172.1 | 76.4 | -2.5 | 0 | 0 | 0 | 112.7 | F471 N541 G542 I543 | F471-D539 WeakPolarHBondContact CD2-O 3.19Å; D539-N541 PolarHBondContact O-N 2.89Å; D539-N541 VanDerWaalsContact OD1-CA 3.3Å; D539-N541 WeakPolarHBondContact OD1-CA 3.4Å; D539-N541 WeakPolarHBondContact OD1-CB 3.32Å; D539-N541 PolarHBondContact OD1-N 2.97Å; D539-N541 PolarHBondContact OD2-ND2 3.15Å; D539-G542 PolarHBondContact O-N 3.24Å; D539-G542 VanDerWaalsContact O-N 3.15Å; D539-G542 PolarHBondContact OD1-N 2.88Å; D539-G542 VanDerWaalsContact OD1-N 3.17Å; D539-I543 PolarHBondContact N-O 2.79Å; D539-I543 PolarHBondContact OD1-N 2.96Å | ||
| 540 | H | 94.1 | Very high | 96.1 | Very high | 91 Ų | 91 | 25 Ų | 25 | 42% | 0.421 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -13.6 | 178.6 | -65.2 | 84.5 | 0 | 0 | 0 | 113.5 | Q186 | Q186-H540 HydrophobicContact CG-CB 4.33Å; Q186-H540 PolarHBondContact NE2-O 2.9Å |
| 541 | N | 96.5 | Very high | 96.3 | Very high | 24 Ų | 24 | 19.8 Ų | 19.8 | 13% | 0.128 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -6.9 | 176.6 | -54.5 | -59.7 | 0 | 0 | 0 | 112 | R170 Q186 I187 D539 I543 | R170-N541 WeakPolarHBondContact CD-O 3.38Å; R170-N541 PolarHBondContact NH1-O 3.17Å; Q186-N541 VanDerWaalsContact CA-OD1 3.24Å; Q186-N541 WeakPolarHBondContact CA-OD1 3.39Å; I187-N541 HydrophobicContact CB-CB 4.2Å; I187-N541 PolarHBondContact N-OD1 2.83Å; I187-N541 WeakPolarHBondContact O-CA 3.44Å; D539-N541 PolarHBondContact O-N 2.89Å; D539-N541 VanDerWaalsContact OD1-CA 3.3Å; D539-N541 WeakPolarHBondContact OD1-CA 3.4Å; D539-N541 WeakPolarHBondContact OD1-CB 3.32Å; D539-N541 PolarHBondContact OD1-N 2.97Å; D539-N541 PolarHBondContact OD2-ND2 3.15Å; N541-I543 HydrophobicContact CB-CB 4.39Å; N541-I543 HydrophobicContact CB-CD1 3.9Å; N541-I543 HydrophobicContact CB-CG1 3.95Å |
| 542 | G | 95.9 | Very high | 96.3 | Very high | 4 Ų | 4 | 20.3 Ų | 20.3 | 4% | 0.041 | 11% | 0.11 | C | C | . | . | S | Bend | trans | 70.6 | 23.9 | -168.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q167 F471 D539 | Q167-G542 PolarHBondContact NE2-O 3.36Å; F471-G542 VanDerWaalsContact CE2-CA 3.44Å; D539-G542 PolarHBondContact O-N 3.24Å; D539-G542 VanDerWaalsContact O-N 3.15Å; D539-G542 PolarHBondContact OD1-N 2.88Å; D539-G542 VanDerWaalsContact OD1-N 3.17Å |
| 543 | I | 96.2 | Very high | 96.2 | Very high | 12 Ų | 12 | 20.3 Ų | 20.3 | 6% | 0.062 | 11% | 0.11 | C | C | . | . | trans | -99 | 133.4 | 177.1 | -64 | 172.4 | 0 | 0 | 0 | 109 | Q167 R170 R171 I174 D539 N541 V545 | Q167-I543 VanDerWaalsContact OE1-CA 3.28Å; R170-I543 HydrophobicContact CB-CD1 3.95Å; R170-I543 HydrophobicContact CB-CG1 3.8Å; R171-I543 HydrophobicContact CG-CD1 4.15Å; R171-I543 HydrophobicContact CG-CG2 4.16Å; I174-I543 HydrophobicContact CD1-CD1 3.53Å; D539-I543 PolarHBondContact N-O 2.79Å; D539-I543 PolarHBondContact OD1-N 2.96Å; N541-I543 HydrophobicContact CB-CB 4.39Å; N541-I543 HydrophobicContact CB-CD1 3.9Å; N541-I543 HydrophobicContact CB-CG1 3.95Å; I543-V545 HydrophobicContact CG2-CG2 4.42Å | ||
| 544 | L | 96.5 | Very high | 95.9 | Very high | 13 Ų | 13 | 23 Ų | 23 | 7% | 0.068 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 121.7 | 174.5 | -175.8 | 78.7 | 0 | 0 | 0 | 110.1 | I430 L464 F465 V490 F536 M538 | I430-L544 HydrophobicContact CD1-CB 4.3Å; I430-L544 HydrophobicContact CD1-CD2 4.27Å; I430-L544 HydrophobicContact CG2-CD2 4.07Å; L464-L544 HydrophobicContact CD2-CD1 3.94Å; F465-L544 HydrophobicContact CD2-CD1 3.84Å; F465-L544 HydrophobicContact CE2-CD1 3.36Å; F465-L544 HydrophobicContact CZ-CD1 4.37Å; V490-L544 HydrophobicContact CG1-CD2 3.49Å; V490-L544 VanDerWaalsContact CG1-CD2 3.49Å; F536-L544 HydrophobicContact CB-CD1 4.08Å; F536-L544 HydrophobicContact CD1-CD1 4.01Å; F536-L544 HydrophobicContact CD1-CD2 4.12Å; F536-L544 HydrophobicContact CD1-CG 4.07Å; F536-L544 HydrophobicContact CE1-CD2 4.31Å; F536-L544 HydrophobicContact CG-CD1 4.4Å; M538-L544 HydrophobicContact CE-CB 4.4Å; M538-L544 HydrophobicContact CE-CD1 4Å; M538-L544 HydrophobicContact SD-CB 4.42Å |
| 545 | V | 95.7 | Very high | 95.6 | Very high | 53 Ų | 53 | 24.8 Ų | 24.8 | 32% | 0.321 | 13% | 0.134 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 125.4 | 176.6 | -177.4 | 0 | 0 | 0 | 0 | 109.3 | F536 I537 I543 N547 | F536-V545 CarbonylContact C-O 3.58Å; F536-V545 WeakPolarHBondContact CA-O 3.49Å; I537-V545 PolarHBondContact N-O 2.94Å; I537-V545 PolarHBondContact O-N 3.04Å; I543-V545 HydrophobicContact CG2-CG2 4.42Å; V545-N547 PolarHBondContact O-N 3.02Å |
| 546 | L | 96.8 | Very high | 95.1 | Very high | 20 Ų | 20 | 27.7 Ų | 27.7 | 11% | 0.105 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 103.6 | 163.3 | 176.5 | 60.6 | 0 | 0 | 0 | 107.9 | F488 I512 A534 F536 V549 Y635 | F488-L546 HydrophobicContact CZ-CD2 4.31Å; I512-L546 HydrophobicContact CB-CD2 4.47Å; I512-L546 HydrophobicContact CG1-CD2 3.82Å; I512-L546 HydrophobicContact CG2-CD2 3.78Å; A534-L546 HydrophobicContact CB-CD1 3.92Å; F536-L546 HydrophobicContact CD1-CB 4.18Å; F536-L546 HydrophobicContact CD1-CD1 4.14Å; F536-L546 HydrophobicContact CE1-CB 4.01Å; F536-L546 HydrophobicContact CE1-CD1 3.89Å; F536-L546 HydrophobicContact CE1-CG 4.46Å; F536-L546 HydrophobicContact CE2-CD1 4.29Å; F536-L546 HydrophobicContact CG-CD1 4.46Å; F536-L546 HydrophobicContact CZ-CD1 3.99Å; L546-V549 HydrophobicContact CD1-CG2 4.14Å; L546-V549 HydrophobicContact CD2-CG2 4.05Å; L546-V549 HydrophobicContact CG-CG2 4.45Å; L546-Y635 HydrophobicContact CB-CE2 4.41Å; L546-Y635 HydrophobicContact CD2-CD2 3.51Å; L546-Y635 HydrophobicContact CD2-CE2 3.38Å; L546-Y635 HydrophobicContact CD2-CG 4.17Å; L546-Y635 HydrophobicContact CG-CD2 4.36Å; L546-Y635 HydrophobicContact CG-CE2 3.76Å; L546-Y635 PolarHBondContact O-OH 3.27Å |
| 547 | N | 95 | Very high | 94 | Very high | 82 Ų | 82 | 35 Ų | 35 | 44% | 0.439 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | -15.3 | -174.8 | -171.4 | 57.4 | 0 | 0 | 0 | 113 | H535 I537 V545 | H535-N547 PolarHBondContact O-N 2.9Å; I537-N547 HydrophobicContact CD1-CB 3.82Å; I537-N547 HydrophobicContact CG1-CB 3.94Å; V545-N547 PolarHBondContact O-N 3.02Å |
| 548 | G | 96.5 | Very high | 92.2 | Very high | 13 Ų | 13 | 41.9 Ų | 41.9 | 13% | 0.134 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170 | 163.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | H535 | H535-G548 PolarHBondContact N-O 2.62Å; H535-G548 PolarHBondContact O-N 3.25Å |
| 549 | V | 97.6 | Very high | 89.5 | Confident | 5 Ų | 5 | 50 Ų | 50 | 3% | 0.03 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 139.7 | 172.1 | -176.5 | 0 | 0 | 0 | 0 | 108.2 | T514 V532 K533 A534 L546 I633 Y635 | T514-V549 HydrophobicContact CG2-CG1 3.84Å; T514-V549 HydrophobicContact CG2-CG2 4.46Å; V532-V549 HydrophobicContact CG1-CG1 3.19Å; K533-V549 CarbonylContact O-C 3.52Å; K533-V549 WeakPolarHBondContact O-CA 3.34Å; A534-V549 HydrophobicContact CB-CG2 4.24Å; L546-V549 HydrophobicContact CD1-CG2 4.14Å; L546-V549 HydrophobicContact CD2-CG2 4.05Å; L546-V549 HydrophobicContact CG-CG2 4.45Å; V549-I633 HydrophobicContact CB-CB 4.31Å; V549-I633 HydrophobicContact CG1-CB 4.1Å; V549-I633 HydrophobicContact CG1-CG2 4.26Å; V549-I633 PolarHBondContact O-N 2.93Å; V549-Y635 HydrophobicContact CB-CD1 3.98Å; V549-Y635 HydrophobicContact CG2-CD1 3.61Å; V549-Y635 HydrophobicContact CG2-CE1 4.13Å; V549-Y635 HydrophobicContact CG2-CG 3.89Å |
| 550 | S | 96.9 | Very high | 87 | Confident | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 147.7 | 179.4 | 63.2 | 0 | 0 | 0 | 0 | 112.8 | V532 K533 H535 E631 | V532-S550 CarbonylContact C-O 3.51Å; V532-S550 VanDerWaalsContact CA-O 3.29Å; V532-S550 WeakPolarHBondContact CA-O 3.29Å; K533-S550 PolarHBondContact N-O 2.81Å; K533-S550 PolarHBondContact O-N 3.42Å; H535-S550 PolarHBondContact NE2-OG 2.99Å; S550-E631 CarbonylContact C-O 3.58Å; S550-E631 WeakPolarHBondContact CA-O 3.33Å; S550-E631 WeakPolarHBondContact CB-O 3.13Å |
| 551 | C | 95.8 | Very high | 84.2 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 134.9 | 168.3 | -171.5 | 0 | 0 | 0 | 0 | 109.6 | G531 F553 F630 E631 I633 | G531-C551 WeakPolarHBondContact O-CA 3.5Å; G531-C551 PolarHBondContact O-SG 3.25Å; C551-F553 HydrophobicContact CB-CE2 3.83Å; C551-F553 HydrophobicContact CB-CZ 4.32Å; C551-F630 WeakPolarHBondContact O-CA 3.44Å; C551-E631 PolarHBondContact N-O 3.39Å; C551-E631 PolarHBondContact O-N 3.27Å; C551-I633 HydrophobicContact CB-CD1 3.94Å; C551-I633 HydrophobicContact CB-CG1 3.97Å |
| 552 | I | 94.1 | Very high | 81.1 | Confident | 12 Ų | 12 | 58.7 Ų | 58.7 | 6% | 0.062 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 124.8 | -176.7 | -47.7 | 175.6 | 0 | 0 | 0 | 109 | K478 P529 R530 G531 K533 F630 | K478-I552 HydrophobicContact CD-CD1 4.26Å; K478-I552 HydrophobicContact CG-CD1 4.14Å; P529-I552 CarbonylContact C-O 3.55Å; P529-I552 WeakPolarHBondContact CA-O 3.38Å; R530-I552 PolarHBondContact N-O 3Å; G531-I552 PolarHBondContact O-N 2.77Å; K533-I552 HydrophobicContact CB-CD1 4.02Å; K533-I552 HydrophobicContact CB-CG1 4.04Å; I552-F630 HydrophobicContact CB-CE1 4.44Å; I552-F630 HydrophobicContact CG1-CD1 4.1Å; I552-F630 HydrophobicContact CG1-CE1 3.94Å; I552-F630 HydrophobicContact CG2-CE1 4.11Å |
| 553 | F | 94.2 | Very high | 77.9 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 141.2 | 176.5 | -69.9 | -86.6 | 0 | 0 | 0 | 111.8 | A520 Y524 A527 E528 P529 C551 P628 F629 E631 | A520-F553 WeakPolarHBondContact O-CZ 3.34Å; Y524-F553 HydrophobicContact CD2-CD1 4.01Å; Y524-F553 HydrophobicContact CD2-CD2 4.12Å; Y524-F553 AromaticContact CD2-CE1 3.9Å; Y524-F553 HydrophobicContact CD2-CE1 3.9Å; Y524-F553 HydrophobicContact CD2-CE2 4Å; Y524-F553 HydrophobicContact CD2-CG 4.13Å; Y524-F553 AromaticContact CD2-CZ 3.91Å; Y524-F553 HydrophobicContact CD2-CZ 3.91Å; Y524-F553 HydrophobicContact CE2-CD2 4.3Å; Y524-F553 HydrophobicContact CE2-CE2 4.1Å; Y524-F553 HydrophobicContact CE2-CZ 4.35Å; A527-F553 HydrophobicContact CB-CB 3.98Å; A527-F553 HydrophobicContact CB-CD1 4.14Å; A527-F553 HydrophobicContact CB-CG 4.45Å; E528-F553 WeakPolarHBondContact O-CA 3.42Å; P529-F553 HydrophobicContact CB-CD1 4.31Å; P529-F553 HydrophobicContact CB-CE1 3.92Å; P529-F553 HydrophobicContact CB-CZ 4.47Å; C551-F553 HydrophobicContact CB-CE2 3.83Å; C551-F553 HydrophobicContact CB-CZ 4.32Å; F553-P628 CarbonylContact O-C 3.57Å; F553-P628 WeakPolarHBondContact O-CA 3.31Å; F553-F629 HydrophobicContact CB-CD1 3.99Å; F553-F629 HydrophobicContact CB-CD2 3.95Å; F553-F629 HydrophobicContact CB-CE1 3.59Å; F553-F629 HydrophobicContact CB-CE2 3.54Å; F553-F629 HydrophobicContact CB-CG 4.16Å; F553-F629 HydrophobicContact CB-CZ 3.36Å; F553-F629 HydrophobicContact CD1-CZ 4.46Å; F553-F629 HydrophobicContact CD2-CD2 4.28Å; F553-F629 AromaticContact CD2-CE2 3.82Å; F553-F629 HydrophobicContact CD2-CE2 3.82Å; F553-F629 HydrophobicContact CD2-CZ 4.37Å; F553-F629 HydrophobicContact CG-CD2 4.42Å; F553-F629 AromaticContact CG-CE2 3.76Å; F553-F629 HydrophobicContact CG-CE2 3.76Å; F553-F629 AromaticContact CG-CZ 3.83Å; F553-F629 HydrophobicContact CG-CZ 3.83Å; F553-F629 PolarHBondContact N-O 2.98Å; F553-F629 PolarHBondContact O-N 3.3Å; F553-E631 HydrophobicContact CD2-CB 4.3Å; F553-E631 HydrophobicContact CE2-CB 3.73Å |
| 554 | H | 90.9 | Very high | 74.7 | Confident | 74 Ų | 74 | 73.3 Ų | 73.3 | 34% | 0.343 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 127.3 | 168.8 | -71.2 | 54.6 | 0 | 0 | 0 | 109.2 | A527 E528 R530 I556 | A527-H554 CarbonylContact C-O 3.46Å; A527-H554 WeakPolarHBondContact CA-O 3.32Å; A527-H554 WeakPolarHBondContact CB-O 3.38Å; E528-H554 PolarHBondContact N-O 3.37Å; E528-H554 PolarHBondContact O-N 2.88Å; R530-H554 HydrophobicContact CG-CB 4.32Å; R530-H554 WeakPolarHBondContact CG-ND1 3.36Å; H554-I556 PolarHBondContact O-N 2.79Å |
| 555 | P | 90.7 | Very high | 71.6 | Confident | 37 Ų | 37 | 77.9 Ų | 77.9 | 24% | 0.24 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 137.4 | 174.6 | -25.4 | 34.7 | 0 | 0 | 0 | 112.1 | E557 S625 E627 F629 | P555-E557 PolarHBondContact O-N 2.56Å; P555-S625 WeakPolarHBondContact CG-O 3.34Å; P555-E627 WeakPolarHBondContact CD-O 3.35Å; P555-E627 WeakPolarHBondContact CG-O 3.48Å; P555-F629 HydrophobicContact CG-CD1 4.37Å; P555-F629 HydrophobicContact CG-CE1 4.37Å |
| 556 | I | 86.5 | Confident | 68.4 | Low | 68 Ų | 68 | 82.3 Ų | 82.3 | 35% | 0.349 | 46% | 0.458 | S | S | . | . | trans | -80 | 113.3 | 173.6 | -62.5 | 164.7 | 0 | 0 | 0 | 107.5 | F526 E528 H554 K558 | F526-I556 PolarHBondContact O-N 2.8Å; E528-I556 HydrophobicContact CG-CD1 3.98Å; E528-I556 HydrophobicContact CG-CG1 3.76Å; H554-I556 PolarHBondContact O-N 2.79Å; I556-K558 PolarHBondContact O-N 2.85Å | ||
| 557 | E | 74.4 | Confident | 65.3 | Low | 157 Ų | 157 | 90.8 Ų | 90.8 | 73% | 0.734 | 49% | 0.494 | S | S | * | . | trans | -62.9 | 100.5 | 168.6 | -70.5 | -174.3 | 178.3 | 0 | 0 | 109.3 | P555 I559 | P555-E557 PolarHBondContact O-N 2.56Å; E557-I559 PolarHBondContact O-N 2.94Å; E557-I559 VanDerWaalsContact O-N 3.14Å | ||
| 558 | K | 59 | Low | 62.4 | Low | 177 Ų | 177 | 91.4 Ų | 91.4 | 77% | 0.77 | 51% | 0.51 | S | S | * | . | trans | -72.8 | 107.3 | 168.2 | -73.1 | -172.7 | 179.4 | 179.9 | 0 | 108 | I556 G560 | I556-K558 PolarHBondContact O-N 2.85Å; K558-G560 PolarHBondContact O-N 3.41Å | ||
| 559 | I | 40.4 | Very low | 59.4 | Low | 171 Ų | 171 | 99.5 Ų | 99.5 | 88% | 0.877 | 54% | 0.542 | S | S | * | . | trans | -61.9 | 89.5 | 165.1 | -57.6 | 170 | 0 | 0 | 0 | 107.2 | E557 | E557-I559 PolarHBondContact O-N 2.94Å; E557-I559 VanDerWaalsContact O-N 3.14Å | ||
| 560 | G | 43.5 | Very low | 56.8 | Low | 67 Ų | 67 | 102.6 Ų | 102.6 | 69% | 0.691 | 56% | 0.564 | S | S | * | * | trans | -97.1 | 119.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | K558 | K558-G560 PolarHBondContact O-N 3.41Š| ||
| 561 | I | 35.7 | Very low | 54.2 | Low | 160 Ų | 160 | 107.4 Ų | 107.4 | 82% | 0.821 | 59% | 0.593 | S | S | * | * | trans | -37.7 | 130.5 | 178.4 | -64.8 | 157.2 | 0 | 0 | 0 | 112.6 | D563 | I561-D563 PolarHBondContact O-N 3.31Š| ||
| 562 | S | 31.6 | Very low | 51.8 | Low | 105 Ų | 105 | 115.3 Ų | 115.3 | 73% | 0.734 | 63% | 0.627 | S | S | * | * | trans | -49.6 | 120.4 | 170.2 | 52.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 563 | D | 27.9 | Very low | 49.7 | Very low | 163 Ų | 163 | 121 Ų | 121 | 87% | 0.872 | 65% | 0.654 | S | S | * | * | trans | -133.8 | 119 | 147.3 | -102.8 | -24.2 | 0 | 0 | 0 | 108.7 | I561 S565 | I561-D563 PolarHBondContact O-N 3.31Å; D563-S565 PolarHBondContact O-N 3.37Å | ||
| 564 | D | 29.3 | Very low | 47.3 | Very low | 160 Ų | 160 | 128.2 Ų | 128.2 | 86% | 0.856 | 69% | 0.685 | S | S | * | * | trans | -51.4 | 127.8 | 173.7 | -82.6 | -45.9 | 0 | 0 | 0 | 111.4 | ||||
| 565 | S | 30.2 | Very low | 45.1 | Very low | 108 Ų | 108 | 128.7 Ų | 128.7 | 76% | 0.755 | 69% | 0.69 | S | S | * | * | 174.3 | 113.8 | 124.7 | 42.5 | 0 | 0 | 0 | 0 | 112.2 | D563 | D563-S565 PolarHBondContact O-N 3.37Š| |||
| 566 | N | 30 | Very low | 42.9 | Very low | 147 Ų | 147 | 128.9 Ų | 128.9 | 79% | 0.786 | 70% | 0.698 | S | S | * | * | 35.1 | 107.4 | 127.5 | -86.3 | -25.8 | 0 | 0 | 0 | 118.6 | |||||
| 567 | K | 30.3 | Very low | 40.8 | Very low | 198 Ų | 198 | 129.4 Ų | 129.4 | 86% | 0.861 | 71% | 0.708 | S | S | * | * | 153.9 | 141.1 | 102.5 | -94.9 | 167 | 178.2 | 176.9 | 0 | 113.8 | |||||
| 568 | A | 34.5 | Very low | 39.2 | Very low | 94 Ų | 94 | 126.5 Ų | 126.5 | 78% | 0.777 | 70% | 0.701 | S | S | * | * | trans | 68.7 | 96.4 | 148.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | S570 | A568-S570 PolarHBondContact O-N 2.82Å; A568-S570 VanDerWaalsContact O-N 3.16Å | ||
| 569 | K | 34.7 | Very low | 38 | Very low | 184 Ų | 184 | 122.4 Ų | 122.4 | 80% | 0.8 | 69% | 0.687 | S | S | * | * | trans | -45.1 | 113.9 | 156.9 | -86.8 | 177.2 | 169.5 | 176.8 | 0 | 110.4 | ||||
| 570 | S | 41.5 | Very low | 38.1 | Very low | 70 Ų | 70 | 118.6 Ų | 118.6 | 49% | 0.49 | 68% | 0.675 | S | S | . | * | trans | -68.2 | 135.4 | 173.6 | 176.4 | 0 | 0 | 0 | 0 | 109.9 | A568 F572 E573 | A568-S570 PolarHBondContact O-N 2.82Å; A568-S570 VanDerWaalsContact O-N 3.16Å; S570-F572 PolarHBondContact O-N 2.98Å; S570-E573 PolarHBondContact O-N 3.49Å | ||
| 571 | T | 43.9 | Very low | 37.5 | Very low | 104 Ų | 104 | 118.2 Ų | 118.2 | 64% | 0.638 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -52.3 | -20.9 | 178 | -42.8 | 0 | 0 | 0 | 0 | 113.3 | K574 | T571-K574 PolarHBondContact O-N 3.39Å |
| 572 | F | 44.5 | Very low | 37.3 | Very low | 165 Ų | 165 | 117.4 Ų | 117.4 | 72% | 0.724 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -69.5 | -31.9 | 176.9 | -84.4 | -88 | 0 | 0 | 0 | 114.4 | S570 K574 I575 G576 | S570-F572 PolarHBondContact O-N 2.98Å; F572-K574 VanDerWaalsContact C-N 3.28Å; F572-K574 PolarHBondContact O-N 3.35Å; F572-I575 PolarHBondContact O-N 3.47Å; F572-G576 PolarHBondContact O-N 3.12Å |
| 573 | E | 50.5 | Low | 37.6 | Very low | 131 Ų | 131 | 120.1 Ų | 120.1 | 61% | 0.612 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -66.5 | -31.7 | 175.9 | -76.8 | 178.4 | 162.4 | 0 | 0 | 111.8 | S570 I575 G576 S577 | S570-E573 PolarHBondContact O-N 3.49Å; E573-I575 VanDerWaalsContact C-N 3.34Å; E573-G576 PolarHBondContact O-N 2.73Å; E573-S577 PolarHBondContact O-N 3.1Å; E573-S577 VanDerWaalsContact O-N 3.08Å; E573-S577 PolarHBondContact O-OG 3.42Å |
| 574 | K | 42.4 | Very low | 37.5 | Very low | 152 Ų | 152 | 114.8 Ų | 114.8 | 66% | 0.661 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -67.1 | -35.2 | 173.8 | -79.5 | -174.8 | 176.3 | -178.9 | 0 | 112.3 | T571 F572 S577 T578 | T571-K574 PolarHBondContact O-N 3.39Å; F572-K574 VanDerWaalsContact C-N 3.28Å; F572-K574 PolarHBondContact O-N 3.35Å; K574-S577 PolarHBondContact O-OG 3.1Å; K574-T578 PolarHBondContact O-N 3.07Å; K574-T578 PolarHBondContact O-OG1 2.85Å |
| 575 | I | 44.9 | Very low | 37.3 | Very low | 85 Ų | 85 | 110.8 Ų | 110.8 | 44% | 0.436 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -74.6 | -37.7 | 178.4 | -61.6 | 170.6 | 0 | 0 | 0 | 110.6 | F572 E573 T578 L579 | F572-I575 PolarHBondContact O-N 3.47Å; E573-I575 VanDerWaalsContact C-N 3.34Å; I575-T578 PolarHBondContact O-N 2.92Å; I575-T578 PolarHBondContact O-OG1 3.31Å; I575-L579 HydrophobicContact CG2-CD1 3.8Å; I575-L579 PolarHBondContact O-N 3.13Å |
| 576 | G | 45.6 | Very low | 37 | Very low | 41 Ų | 41 | 109.1 Ų | 109.1 | 42% | 0.423 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -62.4 | -41.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F572 E573 T578 L579 S580 | F572-G576 PolarHBondContact O-N 3.12Å; E573-G576 PolarHBondContact O-N 2.73Å; G576-T578 PolarHBondContact O-N 2.91Å; G576-L579 PolarHBondContact O-N 3.14Å; G576-S580 PolarHBondContact O-N 2.97Å |
| 577 | S | 42.2 | Very low | 36.7 | Very low | 78 Ų | 78 | 109 Ų | 109 | 55% | 0.545 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -68.3 | -30.3 | 177.6 | 62.1 | 0 | 0 | 0 | 0 | 114.1 | E573 K574 G581 | E573-S577 PolarHBondContact O-N 3.1Å; E573-S577 VanDerWaalsContact O-N 3.08Å; E573-S577 PolarHBondContact O-OG 3.42Å; K574-S577 PolarHBondContact O-OG 3.1Å; S577-G581 PolarHBondContact O-N 3.01Å |
| 578 | T | 40.3 | Very low | 36.6 | Very low | 96 Ų | 96 | 105 Ų | 105 | 59% | 0.589 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -79.4 | -30.5 | 174.9 | 45.6 | 0 | 0 | 0 | 0 | 112.4 | K574 I575 G576 L582 | K574-T578 PolarHBondContact O-N 3.07Å; K574-T578 PolarHBondContact O-OG1 2.85Å; I575-T578 PolarHBondContact O-N 2.92Å; I575-T578 PolarHBondContact O-OG1 3.31Å; G576-T578 PolarHBondContact O-N 2.91Å; T578-L582 PolarHBondContact O-N 3.4Å |
| 579 | L | 35.1 | Very low | 36.1 | Very low | 92 Ų | 92 | 106 Ų | 106 | 48% | 0.482 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -71.5 | -39.9 | 172.4 | -100.6 | 124.9 | 0 | 0 | 0 | 112.4 | I575 G576 G581 L582 F583 | I575-L579 HydrophobicContact CG2-CD1 3.8Å; I575-L579 PolarHBondContact O-N 3.13Å; G576-L579 PolarHBondContact O-N 3.14Å; L579-G581 PolarHBondContact O-N 3.15Å; L579-L582 WeakPolarHBondContact O-CB 3.46Å; L579-L582 PolarHBondContact O-N 3.26Å; L579-F583 HydrophobicContact CD2-CD2 4.45Å; L579-F583 HydrophobicContact CD2-CE2 3.96Å; L579-F583 WeakPolarHBondContact O-CD2 3.29Å; L579-F583 PolarHBondContact O-N 2.79Å |
| 580 | S | 41.2 | Very low | 35.5 | Very low | 90 Ų | 90 | 104.8 Ų | 104.8 | 63% | 0.629 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -65.5 | -29.4 | 175.2 | -150.3 | 0 | 0 | 0 | 0 | 112.2 | G576 L582 G584 | G576-S580 PolarHBondContact O-N 2.97Å; S580-L582 VanDerWaalsContact C-N 3.31Å; S580-G584 WeakPolarHBondContact O-CA 3.39Å; S580-G584 PolarHBondContact O-N 3.25Å |
| 581 | G | 32 | Very low | 34.9 | Very low | 60 Ų | 60 | 106.5 Ų | 106.5 | 62% | 0.619 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -74.9 | -14.5 | 171 | 0 | 0 | 0 | 0 | 0 | 114.8 | S577 L579 | S577-G581 PolarHBondContact O-N 3.01Å; L579-G581 PolarHBondContact O-N 3.15Å |
| 582 | L | 31.6 | Very low | 34.1 | Very low | 142 Ų | 142 | 107.3 Ų | 107.3 | 74% | 0.743 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -91.1 | -22.2 | 177.3 | -142.6 | 110.6 | 0 | 0 | 0 | 112.6 | T578 L579 S580 | T578-L582 PolarHBondContact O-N 3.4Å; L579-L582 WeakPolarHBondContact O-CB 3.46Å; L579-L582 PolarHBondContact O-N 3.26Å; S580-L582 VanDerWaalsContact C-N 3.31Å |
| 583 | F | 36.6 | Very low | 33.2 | Very low | 163 Ų | 163 | 108.9 Ų | 108.9 | 72% | 0.715 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -110.3 | -16.6 | 178.4 | -69.5 | -76.6 | 0 | 0 | 0 | 114 | L579 G585 | L579-F583 HydrophobicContact CD2-CD2 4.45Å; L579-F583 HydrophobicContact CD2-CE2 3.96Å; L579-F583 WeakPolarHBondContact O-CD2 3.29Å; L579-F583 PolarHBondContact O-N 2.79Å; F583-G585 VanDerWaalsContact C-N 3.32Å; F583-G585 PolarHBondContact O-N 2.88Å |
| 584 | G | 25.9 | Very low | 32.1 | Very low | 50 Ų | 50 | 109.5 Ų | 109.5 | 52% | 0.515 | 66% | 0.664 | S | S | . | * | S | Bend | trans | -78.1 | 80.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | S580 G586 | S580-G584 WeakPolarHBondContact O-CA 3.39Å; S580-G584 PolarHBondContact O-N 3.25Å; G584-G586 PolarHBondContact O-N 2.82Å |
| 585 | G | 24.8 | Very low | 31.5 | Very low | 77 Ų | 77 | 105.9 Ų | 105.9 | 79% | 0.794 | 65% | 0.654 | S | S | * | * | trans | -54.5 | 112.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | F583 | F583-G585 VanDerWaalsContact C-N 3.32Å; F583-G585 PolarHBondContact O-N 2.88Å | ||
| 586 | G | 24.1 | Very low | 30.5 | Very low | 72 Ų | 72 | 107.4 Ų | 107.4 | 74% | 0.742 | 67% | 0.67 | S | S | * | * | trans | -57.6 | 149.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G584 S588 | G584-G586 PolarHBondContact O-N 2.82Å; G586-S588 PolarHBondContact O-N 2.88Å | ||
| 587 | D | 24.1 | Very low | 29.6 | Very low | 145 Ų | 145 | 112.9 Ų | 112.9 | 78% | 0.775 | 68% | 0.684 | S | S | * | * | trans | 0.2 | 110.1 | 169 | -72.9 | -31.2 | 0 | 0 | 0 | 115.6 | T589 | D587-T589 HydrophobicContact CB-CG2 4.37Å; D587-T589 PolarHBondContact O-N 2.75Å | ||
| 588 | S | 27.5 | Very low | 28.8 | Very low | 113 Ų | 113 | 120 Ų | 120 | 79% | 0.79 | 70% | 0.699 | S | S | * | * | trans | -64.2 | 69.1 | 159.6 | 51.2 | 0 | 0 | 0 | 0 | 110.4 | G586 | G586-S588 PolarHBondContact O-N 2.88Š| ||
| 589 | T | 23.8 | Very low | 27.9 | Very low | 116 Ų | 116 | 122.4 Ų | 122.4 | 71% | 0.712 | 71% | 0.708 | S | S | * | * | trans | -103 | 73.7 | 163.6 | 52.3 | 0 | 0 | 0 | 0 | 109 | D587 | D587-T589 HydrophobicContact CB-CG2 4.37Å; D587-T589 PolarHBondContact O-N 2.75Å | ||
| 590 | N | 23.1 | Very low | 27.5 | Very low | 159 Ų | 159 | 123.5 Ų | 123.5 | 85% | 0.85 | 72% | 0.719 | S | S | * | * | trans | -164.2 | 64.8 | 148.1 | -106.5 | -13.5 | 0 | 0 | 0 | 107.7 | ||||
| 591 | V | 28.8 | Very low | 26.7 | Very low | 105 Ų | 105 | 124.8 Ų | 124.8 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | trans | -88 | 110.5 | 158.7 | -179.3 | 0 | 0 | 0 | 0 | 105 | K593 | V591-K593 PolarHBondContact O-N 2.92Š| ||
| 592 | D | 26.6 | Very low | 26.8 | Very low | 122 Ų | 122 | 124.4 Ų | 124.4 | 65% | 0.652 | 72% | 0.72 | S | S | * | * | trans | -51.7 | 107.4 | 174.7 | -86.7 | -44.9 | 0 | 0 | 0 | 109.9 | N594 | D592-N594 PolarHBondContact O-N 3Š| ||
| 593 | K | 25.7 | Very low | 27.8 | Very low | 198 Ų | 198 | 121.9 Ų | 121.9 | 86% | 0.861 | 71% | 0.708 | S | S | * | * | trans | -72.8 | 21.5 | -178.1 | -78.4 | -172 | 173 | -178.5 | 0 | 114.7 | V591 | V591-K593 PolarHBondContact O-N 2.92Š| ||
| 594 | N | 26.6 | Very low | 28.5 | Very low | 144 Ų | 144 | 115.3 Ų | 115.3 | 77% | 0.77 | 68% | 0.681 | S | S | * | * | trans | -111.7 | 44.4 | -176.4 | -73.2 | -16.2 | 0 | 0 | 0 | 113.1 | D592 | D592-N594 PolarHBondContact O-N 3Š| ||
| 595 | V | 30.5 | Very low | 30.5 | Very low | 75 Ų | 75 | 115.7 Ų | 115.7 | 46% | 0.455 | 67% | 0.673 | S | S | . | * | S | Bend | trans | -150.3 | 127.8 | 150.3 | -176.2 | 0 | 0 | 0 | 0 | 106.9 | E597 | V595-E597 PolarHBondContact O-N 2.76Å; V595-E597 VanDerWaalsContact O-N 3.15Å |
| 596 | P | 25.1 | Very low | 32.5 | Very low | 118 Ų | 118 | 117.3 Ų | 117.3 | 77% | 0.766 | 66% | 0.664 | S | S | * | * | trans | -69.9 | 111.2 | -176.9 | 26.6 | -32.3 | 0 | 0 | 0 | 111.2 | ||||
| 597 | E | 25.2 | Very low | 34.2 | Very low | 155 Ų | 155 | 114.5 Ų | 114.5 | 72% | 0.724 | 63% | 0.632 | S | S | * | * | trans | -69.7 | 128.8 | 164.8 | -75.8 | -178.6 | 152.1 | 0 | 0 | 109.4 | V595 D599 | V595-E597 PolarHBondContact O-N 2.76Å; V595-E597 VanDerWaalsContact O-N 3.15Å; E597-D599 PolarHBondContact O-N 2.78Å | ||
| 598 | R | 25.9 | Very low | 35.6 | Very low | 229 Ų | 229 | 115.4 Ų | 115.4 | 86% | 0.864 | 64% | 0.636 | S | S | * | * | trans | -80.9 | 93.5 | 172.7 | -76 | -175 | -179.5 | -178.4 | 1.6 | 108.8 | T600 | R598-T600 PolarHBondContact O-N 2.63Š| ||
| 599 | D | 22.4 | Very low | 36.3 | Very low | 146 Ų | 146 | 111.4 Ų | 111.4 | 78% | 0.781 | 61% | 0.613 | S | S | * | * | trans | -73.9 | 113.9 | 175.3 | -73.8 | -31.2 | 0 | 0 | 0 | 111.5 | E597 | E597-D599 PolarHBondContact O-N 2.78Š| ||
| 600 | T | 25.5 | Very low | 36.8 | Very low | 115 Ų | 115 | 108.9 Ų | 108.9 | 71% | 0.706 | 60% | 0.598 | S | S | * | * | trans | -109.1 | 143.2 | 151.3 | 28.7 | 0 | 0 | 0 | 0 | 107.2 | R598 V602 | R598-T600 PolarHBondContact O-N 2.63Å; T600-V602 VanDerWaalsContact O-CG2 3.28Å; T600-V602 WeakPolarHBondContact O-CG2 3.43Å; T600-V602 PolarHBondContact O-N 2.74Å | ||
| 601 | A | 24.6 | Very low | 37.1 | Very low | 116 Ų | 116 | 108.7 Ų | 108.7 | 96% | 0.959 | 60% | 0.597 | S | S | * | * | trans | -67.2 | 97.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 602 | V | 34.8 | Very low | 37 | Very low | 52 Ų | 52 | 108.6 Ų | 108.6 | 32% | 0.315 | 60% | 0.6 | S | S | . | * | trans | -112.7 | 133.1 | -176.8 | -166.9 | 0 | 0 | 0 | 0 | 110.6 | T600 T604 | T600-V602 VanDerWaalsContact O-CG2 3.28Å; T600-V602 WeakPolarHBondContact O-CG2 3.43Å; T600-V602 PolarHBondContact O-N 2.74Å; V602-T604 WeakPolarHBondContact CB-OG1 3.46Å; V602-T604 HydrophobicContact CG1-CG2 3.61Å; V602-T604 WeakPolarHBondContact CG1-OG1 3.35Å; V602-T604 PolarHBondContact O-N 3.01Å | ||
| 603 | N | 51.9 | Low | 37 | Very low | 90 Ų | 90 | 108.8 Ų | 108.8 | 48% | 0.481 | 61% | 0.606 | S | S | . | * | S | Bend | trans | -69 | 15.4 | 172.1 | -76.4 | -45.4 | 0 | 0 | 0 | 114.2 | Q462 | Q462-N603 PolarHBondContact NE2-ND2 2.99Š|
| 604 | T | 51.8 | Low | 36.9 | Very low | 25 Ų | 25 | 106.6 Ų | 106.6 | 15% | 0.153 | 60% | 0.599 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.9 | 134.1 | 175.6 | 50.1 | 0 | 0 | 0 | 0 | 110.2 | V463 L464 A476 V602 | V463-T604 WeakPolarHBondContact O-CG2 3.44Å; L464-T604 HydrophobicContact CD1-CG2 4.28Å; A476-T604 WeakPolarHBondContact O-CA 3.34Å; V602-T604 WeakPolarHBondContact CB-OG1 3.46Å; V602-T604 HydrophobicContact CG1-CG2 3.61Å; V602-T604 WeakPolarHBondContact CG1-OG1 3.35Å; V602-T604 PolarHBondContact O-N 3.01Å |
| 605 | T | 67.5 | Low | 37 | Very low | 57 Ų | 57 | 106.1 Ų | 106.1 | 35% | 0.35 | 60% | 0.601 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.2 | 153.8 | 173.1 | 64.6 | 0 | 0 | 0 | 0 | 110.1 | R475 A476 | R475-T605 WeakPolarHBondContact CA-O 3.39Å; A476-T605 PolarHBondContact N-O 2.95Å; A476-T605 VanDerWaalsContact N-O 3.08Å; A476-T605 PolarHBondContact O-N 3.31Å |
| 606 | D | 67.7 | Low | 36.8 | Very low | 112 Ų | 112 | 107.5 Ų | 107.5 | 60% | 0.599 | 61% | 0.605 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -56.7 | 142 | 158.3 | -68.4 | -38.3 | 0 | 0 | 0 | 108.4 | Q473 | Q473-D606 PolarHBondContact NE2-OD1 3.21Å |
| 607 | D | 60 | Low | 37 | Very low | 13 Ų | 13 | 107.3 Ų | 107.3 | 7% | 0.07 | 60% | 0.603 | C | S | . | * | trans | -118.5 | 119.8 | -170.8 | -169.8 | 57.7 | 0 | 0 | 0 | 111.6 | K474 A476 K533 H535 G609 | K474-D607 HydrophobicContact CB-CB 4.19Å; K474-D607 WeakPolarHBondContact CB-O 3.36Å; K474-D607 VanDerWaalsContact CD-O 3.31Å; K474-D607 WeakPolarHBondContact CD-O 3.23Å; A476-D607 HydrophobicContact CB-CB 3.96Å; K533-D607 WeakPolarHBondContact CE-OD1 3.11Å; K533-D607 IonicContact NZ-OD1 3.03Å; K533-D607 PolarHBondContact NZ-OD1 3.36Å; H535-D607 IonicContact CE1-OD1 3.31Å; H535-D607 PolarHBondContact CE1-OD1 3.41Å; H535-D607 IonicContact CE1-OD2 3.65Å; H535-D607 IonicContact CG-OD2 3.17Å; H535-D607 IonicContact ND1-OD1 3.55Å; H535-D607 PolarHBondContact ND1-OD1 3.3Å; H535-D607 IonicContact ND1-OD2 2.73Å; H535-D607 PolarHBondContact ND1-OD2 3.13Å; D607-G609 PolarHBondContact O-N 2.96Å; D607-G609 PolarHBondContact OD2-N 3.48Å | ||
| 608 | D | 52.8 | Low | 37.4 | Very low | 163 Ų | 163 | 104.3 Ų | 104.3 | 87% | 0.872 | 59% | 0.594 | S | S | * | * | trans | -77.9 | 1.3 | 179.1 | -68.7 | -42.2 | 0 | 0 | 0 | 113.8 | ||||
| 609 | G | 42 | Very low | 37.6 | Very low | 29 Ų | 29 | 99.2 Ų | 99.2 | 30% | 0.299 | 58% | 0.584 | S | S | . | * | trans | 79 | 162.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | D607 | D607-G609 PolarHBondContact O-N 2.96Å; D607-G609 PolarHBondContact OD2-N 3.48Å | ||
| 610 | V | 33.9 | Very low | 38.4 | Very low | 64 Ų | 64 | 96.7 Ų | 96.7 | 39% | 0.388 | 57% | 0.57 | S | S | . | * | trans | -92.5 | 105 | 173.3 | -176.9 | 0 | 0 | 0 | 0 | 107.3 | S612 | V610-S612 VanDerWaalsContact C-N 3.29Å; V610-S612 PolarHBondContact O-N 2.94Å | ||
| 611 | N | 29.2 | Very low | 38.8 | Very low | 155 Ų | 155 | 96 Ų | 96 | 83% | 0.829 | 57% | 0.566 | S | S | * | * | trans | -63.3 | 94.9 | 167.3 | -93.2 | -18.6 | 0 | 0 | 0 | 108.7 | T613 | N611-T613 PolarHBondContact O-N 2.81Š| ||
| 612 | S | 28.4 | Very low | 39.7 | Very low | 102 Ų | 102 | 100.2 Ų | 100.2 | 71% | 0.713 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -76.3 | 59 | 175.9 | -68.3 | 0 | 0 | 0 | 0 | 111.2 | V610 | V610-S612 VanDerWaalsContact C-N 3.29Å; V610-S612 PolarHBondContact O-N 2.94Å |
| 613 | T | 25.2 | Very low | 39.9 | Very low | 126 Ų | 126 | 104.5 Ų | 104.5 | 77% | 0.773 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -179.9 | 74.3 | 160.8 | 23 | 0 | 0 | 0 | 0 | 107.1 | N611 | N611-T613 PolarHBondContact O-N 2.81Š|
| 614 | H | 24.9 | Very low | 39.7 | Very low | 152 Ų | 152 | 105.6 Ų | 105.6 | 70% | 0.704 | 60% | 0.598 | S | S | * | * | trans | 177 | 78.6 | 148.6 | -96.5 | -76.1 | 0 | 0 | 0 | 103.7 | N616 | H614-N616 PolarHBondContact ND1-OD1 2.86Å; H614-N616 PolarHBondContact O-N 2.93Å | ||
| 615 | V | 27.1 | Very low | 39.8 | Very low | 134 Ų | 134 | 107.5 Ų | 107.5 | 81% | 0.812 | 61% | 0.613 | S | S | * | * | trans | -61.3 | 81.9 | 133.5 | -175.3 | 0 | 0 | 0 | 0 | 103 | T617 | V615-T617 PolarHBondContact O-N 2.89Š| ||
| 616 | N | 26.9 | Very low | 40 | Very low | 104 Ų | 104 | 109.7 Ų | 109.7 | 56% | 0.556 | 63% | 0.626 | S | S | * | * | trans | -51.8 | 107.2 | 145.2 | -80 | -21.2 | 0 | 0 | 0 | 100.7 | H614 V618 | H614-N616 PolarHBondContact ND1-OD1 2.86Å; H614-N616 PolarHBondContact O-N 2.93Å; N616-V618 HydrophobicContact CB-CG2 3.53Å; N616-V618 PolarHBondContact O-N 2.85Å | ||
| 617 | T | 29.8 | Very low | 40.8 | Very low | 115 Ų | 115 | 111 Ų | 111 | 71% | 0.706 | 63% | 0.628 | S | S | * | * | trans | -60.3 | 72.8 | 148.4 | -49.4 | 0 | 0 | 0 | 0 | 102.5 | V615 N619 | V615-T617 PolarHBondContact O-N 2.89Å; T617-N619 PolarHBondContact O-N 3.18Å | ||
| 618 | V | 32.2 | Very low | 42.2 | Very low | 91 Ų | 91 | 113.3 Ų | 113.3 | 55% | 0.552 | 64% | 0.644 | S | S | * | * | trans | -58 | 103.3 | 159 | -177.7 | 0 | 0 | 0 | 0 | 98 | N616 I620 | N616-V618 HydrophobicContact CB-CG2 3.53Å; N616-V618 PolarHBondContact O-N 2.85Å; V618-I620 HydrophobicContact CB-CG1 3.84Å; V618-I620 HydrophobicContact CG1-CG1 3.53Å; V618-I620 PolarHBondContact O-N 2.73Å | ||
| 619 | N | 30.8 | Very low | 44.1 | Very low | 123 Ų | 123 | 107.9 Ų | 107.9 | 66% | 0.658 | 61% | 0.613 | S | S | * | * | trans | -53.2 | 86.9 | 153.9 | -77.7 | -30.6 | 0 | 0 | 0 | 103.4 | T617 T621 | T617-N619 PolarHBondContact O-N 3.18Å; N619-T621 HydrophobicContact CB-CG2 4.44Å; N619-T621 PolarHBondContact O-N 3.45Å; N619-T621 PolarHBondContact O-OG1 2.93Å; N619-T621 VanDerWaalsContact O-OG1 3.13Å | ||
| 620 | I | 39.5 | Very low | 46.5 | Very low | 92 Ų | 92 | 111.1 Ų | 111.1 | 47% | 0.472 | 62% | 0.619 | S | S | . | * | trans | -73.8 | 55.5 | 163.2 | -53.6 | 176.5 | 0 | 0 | 0 | 104.2 | F526 V618 K622 | F526-I620 HydrophobicContact CE2-CD1 4.25Å; F526-I620 HydrophobicContact CZ-CD1 4.41Å; V618-I620 HydrophobicContact CB-CG1 3.84Å; V618-I620 HydrophobicContact CG1-CG1 3.53Å; V618-I620 PolarHBondContact O-N 2.73Å; I620-K622 PolarHBondContact O-N 3.26Å | ||
| 621 | T | 33.9 | Very low | 49.3 | Very low | 101 Ų | 101 | 109.4 Ų | 109.4 | 62% | 0.62 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -67.9 | 89.2 | 153.8 | 36.3 | 0 | 0 | 0 | 0 | 104.9 | N619 N623 | N619-T621 HydrophobicContact CB-CG2 4.44Å; N619-T621 PolarHBondContact O-N 3.45Å; N619-T621 PolarHBondContact O-OG1 2.93Å; N619-T621 VanDerWaalsContact O-OG1 3.13Å; T621-N623 PolarHBondContact O-N 2.75Å |
| 622 | K | 43 | Very low | 52.5 | Low | 204 Ų | 204 | 106.7 Ų | 106.7 | 89% | 0.887 | 60% | 0.597 | S | S | * | * | S | Bend | trans | 52.2 | 0.3 | 159.4 | -81 | -176 | 174.6 | -179.4 | 0 | 120.4 | I620 | I620-K622 PolarHBondContact O-N 3.26Š|
| 623 | N | 38.7 | Very low | 55.7 | Low | 143 Ų | 143 | 102.3 Ų | 102.3 | 77% | 0.765 | 57% | 0.566 | S | S | * | * | trans | -91.3 | 122.2 | 177.4 | -75.1 | 1.3 | 0 | 0 | 0 | 110.4 | T621 S625 | T621-N623 PolarHBondContact O-N 2.75Å; N623-S625 PolarHBondContact O-N 2.9Å | ||
| 624 | S | 47.7 | Very low | 59.1 | Low | 113 Ų | 113 | 101.4 Ų | 101.4 | 79% | 0.79 | 56% | 0.556 | S | S | * | * | trans | -56.4 | 95.9 | -170.1 | 59 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 625 | S | 53.7 | Low | 62.5 | Low | 65 Ų | 65 | 98.1 Ų | 98.1 | 46% | 0.455 | 54% | 0.538 | S | S | . | . | trans | -87.5 | 122.4 | 147.1 | 174.9 | 0 | 0 | 0 | 0 | 107.5 | P555 N623 E627 | P555-S625 WeakPolarHBondContact CG-O 3.34Å; N623-S625 PolarHBondContact O-N 2.9Å; S625-E627 VanDerWaalsContact C-N 3.34Å; S625-E627 PolarHBondContact OG-N 2.88Å | ||
| 626 | T | 73.1 | Confident | 65.8 | Low | 102 Ų | 102 | 96.3 Ų | 96.3 | 63% | 0.626 | 52% | 0.521 | S | S | * | . | trans | -90.6 | -0.9 | 172.6 | 45.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 627 | E | 84.9 | Confident | 68.9 | Low | 140 Ų | 140 | 93.3 Ų | 93.3 | 65% | 0.654 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -84.3 | 141.4 | -173.5 | -67.6 | -175.5 | 176.1 | 0 | 0 | 112.1 | P555 S625 | P555-E627 WeakPolarHBondContact CD-O 3.35Å; P555-E627 WeakPolarHBondContact CG-O 3.48Å; S625-E627 VanDerWaalsContact C-N 3.34Å; S625-E627 PolarHBondContact OG-N 2.88Å |
| 628 | P | 88.1 | Confident | 71.9 | Confident | 61 Ų | 61 | 91 Ų | 91 | 40% | 0.396 | 50% | 0.496 | S | S | . | . | trans | -58.3 | 144.2 | 171.2 | -21.9 | 32.8 | 0 | 0 | 0 | 111.8 | F553 | F553-P628 CarbonylContact O-C 3.57Å; F553-P628 WeakPolarHBondContact O-CA 3.31Å | ||
| 629 | F | 92.7 | Very high | 74.7 | Confident | 50 Ų | 50 | 90.7 Ų | 90.7 | 22% | 0.219 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 165.3 | 174.9 | 67.2 | -89.5 | 0 | 0 | 0 | 111.5 | Y524 F526 A527 F553 P555 | Y524-F629 AromaticContact CD2-CE2 3.62Å; Y524-F629 HydrophobicContact CD2-CE2 3.62Å; Y524-F629 AromaticContact CD2-CZ 3.86Å; Y524-F629 HydrophobicContact CD2-CZ 3.86Å; Y524-F629 AromaticContact CE2-CE2 3.61Å; Y524-F629 HydrophobicContact CE2-CE2 3.61Å; Y524-F629 HydrophobicContact CE2-CZ 4.3Å; Y524-F629 HydrophobicContact CG-CE2 4.1Å; Y524-F629 AromaticContact CG-CZ 3.97Å; Y524-F629 HydrophobicContact CG-CZ 3.97Å; F526-F629 AromaticContact CE2-CE1 3.98Å; F526-F629 HydrophobicContact CE2-CE1 3.98Å; F526-F629 AromaticContact CE2-CZ 3.83Å; F526-F629 HydrophobicContact CE2-CZ 3.83Å; F526-F629 HydrophobicContact CZ-CZ 4.35Å; A527-F629 HydrophobicContact CB-CE1 3.51Å; A527-F629 HydrophobicContact CB-CZ 3.5Å; A527-F629 VanDerWaalsContact CB-CZ 3.5Å; F553-F629 HydrophobicContact CB-CD1 3.99Å; F553-F629 HydrophobicContact CB-CD2 3.95Å; F553-F629 HydrophobicContact CB-CE1 3.59Å; F553-F629 HydrophobicContact CB-CE2 3.54Å; F553-F629 HydrophobicContact CB-CG 4.16Å; F553-F629 HydrophobicContact CB-CZ 3.36Å; F553-F629 HydrophobicContact CD1-CZ 4.46Å; F553-F629 HydrophobicContact CD2-CD2 4.28Å; F553-F629 AromaticContact CD2-CE2 3.82Å; F553-F629 HydrophobicContact CD2-CE2 3.82Å; F553-F629 HydrophobicContact CD2-CZ 4.37Å; F553-F629 HydrophobicContact CG-CD2 4.42Å; F553-F629 AromaticContact CG-CE2 3.76Å; F553-F629 HydrophobicContact CG-CE2 3.76Å; F553-F629 AromaticContact CG-CZ 3.83Å; F553-F629 HydrophobicContact CG-CZ 3.83Å; F553-F629 PolarHBondContact N-O 2.98Å; F553-F629 PolarHBondContact O-N 3.3Å; P555-F629 HydrophobicContact CG-CD1 4.37Å; P555-F629 HydrophobicContact CG-CE1 4.37Å |
| 630 | F | 93.5 | Very high | 77.5 | Confident | 96 Ų | 96 | 88.6 Ų | 88.6 | 42% | 0.421 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 137.3 | -170.1 | -56.6 | -89.2 | 0 | 0 | 0 | 111.4 | K533 C551 I552 | K533-F630 HydrophobicContact CD-CD1 4.44Å; K533-F630 HydrophobicContact CD-CE1 3.81Å; K533-F630 HydrophobicContact CD-CZ 4.49Å; C551-F630 WeakPolarHBondContact O-CA 3.44Å; I552-F630 HydrophobicContact CB-CE1 4.44Å; I552-F630 HydrophobicContact CG1-CD1 4.1Å; I552-F630 HydrophobicContact CG1-CE1 3.94Å; I552-F630 HydrophobicContact CG2-CE1 4.11Å |
| 631 | E | 93.1 | Very high | 79.8 | Confident | 29 Ų | 29 | 84.5 Ų | 84.5 | 14% | 0.136 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 124.4 | 171.8 | -172.2 | 179 | 176.9 | 0 | 0 | 109.7 | H523 Y524 S550 C551 F553 | H523-E631 IonicContact CE1-OE1 2.93Å; H523-E631 IonicContact CG-OE1 3.98Å; H523-E631 IonicContact CG-OE2 3.45Å; H523-E631 IonicContact ND1-OE1 3.79Å; H523-E631 PolarHBondContact ND1-OE1 3.43Å; H523-E631 IonicContact ND1-OE2 3.74Å; Y524-E631 HydrophobicContact CE2-CB 4.39Å; Y524-E631 WeakPolarHBondContact CE2-OE2 3.41Å; S550-E631 CarbonylContact C-O 3.58Å; S550-E631 WeakPolarHBondContact CA-O 3.33Å; S550-E631 WeakPolarHBondContact CB-O 3.13Å; C551-E631 PolarHBondContact N-O 3.39Å; C551-E631 PolarHBondContact O-N 3.27Å; F553-E631 HydrophobicContact CD2-CB 4.3Å; F553-E631 HydrophobicContact CE2-CB 3.73Å |
| 632 | P | 96.1 | Very high | 82.4 | Confident | 97 Ų | 97 | 80.1 Ų | 80.1 | 63% | 0.63 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 143.8 | 176.2 | -24.5 | 34.6 | 0 | 0 | 0 | 113.1 | ||
| 633 | I | 94.9 | Very high | 84.6 | Confident | 10 Ų | 10 | 72.9 Ų | 72.9 | 5% | 0.051 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 135.4 | -178.7 | -64.7 | -59.1 | 0 | 0 | 0 | 108.9 | R515 V517 A520 V549 C551 | R515-I633 WeakPolarHBondContact O-CG2 3Å; V517-I633 HydrophobicContact CG2-CG2 3.74Å; A520-I633 HydrophobicContact CB-CD1 3.31Å; V549-I633 HydrophobicContact CB-CB 4.31Å; V549-I633 HydrophobicContact CG1-CB 4.1Å; V549-I633 HydrophobicContact CG1-CG2 4.26Å; V549-I633 PolarHBondContact O-N 2.93Å; C551-I633 HydrophobicContact CB-CD1 3.94Å; C551-I633 HydrophobicContact CB-CG1 3.97Å |
| 634 | D | 95.5 | Very high | 87.1 | Confident | 107 Ų | 107 | 69.3 Ų | 69.3 | 57% | 0.572 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 145 | 173.4 | -62.8 | -38 | 0 | 0 | 0 | 110.4 | R515 N516 | R515-D634 HydrophobicContact CB-CB 4.09Å; R515-D634 PolarHBondContact N-O 3.39Å; N516-D634 PolarHBondContact ND2-OD2 2.99Å |
| 635 | Y | 96.7 | Very high | 89.1 | Confident | 84 Ų | 84 | 65.1 Ų | 65.1 | 33% | 0.329 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 158.5 | 176.3 | 62 | -85 | 0 | 0 | 0 | 111.2 | I512 T513 L546 V549 A637 | I512-Y635 HydrophobicContact CG2-CD2 4.23Å; I512-Y635 HydrophobicContact CG2-CG 4.48Å; T513-Y635 CarbonylContact O-C 3.33Å; T513-Y635 VanDerWaalsContact O-CA 3.31Å; T513-Y635 WeakPolarHBondContact O-CA 3.17Å; L546-Y635 HydrophobicContact CB-CE2 4.41Å; L546-Y635 HydrophobicContact CD2-CD2 3.51Å; L546-Y635 HydrophobicContact CD2-CE2 3.38Å; L546-Y635 HydrophobicContact CD2-CG 4.17Å; L546-Y635 HydrophobicContact CG-CD2 4.36Å; L546-Y635 HydrophobicContact CG-CE2 3.76Å; L546-Y635 PolarHBondContact O-OH 3.27Å; V549-Y635 HydrophobicContact CB-CD1 3.98Å; V549-Y635 HydrophobicContact CG2-CD1 3.61Å; V549-Y635 HydrophobicContact CG2-CE1 4.13Å; V549-Y635 HydrophobicContact CG2-CG 3.89Å; Y635-A637 HydrophobicContact CD2-CB 4.44Å |
| 636 | E | 96.2 | Very high | 91 | Very high | 96 Ų | 96 | 65.5 Ų | 65.5 | 45% | 0.449 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 129.7 | 171.7 | -175.6 | 174 | -177.2 | 0 | 0 | 107.5 | I512 T513 R515 | I512-E636 CarbonylContact C-O 3.57Å; I512-E636 VanDerWaalsContact CA-O 3.31Å; I512-E636 WeakPolarHBondContact CA-O 3.38Å; T513-E636 PolarHBondContact N-O 3.34Å; T513-E636 PolarHBondContact O-N 3.46Å; R515-E636 IonicContact CZ-OE2 3.04Å; R515-E636 IonicContact NE-OE2 2.7Å; R515-E636 IonicContact NH2-OE2 3.58Å; R515-E636 PolarHBondContact NH2-OE2 3.46Å |
| 637 | A | 93.7 | Very high | 92 | Very high | 41 Ų | 41 | 64 Ų | 64 | 34% | 0.339 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 125.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | H511 I512 Y635 | H511-A637 WeakPolarHBondContact O-CA 3.12Å; I512-A637 HydrophobicContact CG1-CB 4.24Å; Y635-A637 HydrophobicContact CD2-CB 4.44Å |
| 638 | V | 92.4 | Very high | 92.5 | Very high | 65 Ų | 65 | 65.3 Ų | 65.3 | 39% | 0.394 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 119.9 | 177.4 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | S510 H511 L640 | S510-V638 CarbonylContact C-O 3.56Å; S510-V638 WeakPolarHBondContact CA-O 3.47Å; S510-V638 WeakPolarHBondContact CB-O 3.38Å; H511-V638 PolarHBondContact N-O 2.82Å; H511-V638 PolarHBondContact O-N 3.32Å; V638-L640 HydrophobicContact CG1-CD2 4.04Å |
| 639 | Y | 90.4 | Very high | 92.9 | Very high | 86 Ų | 86 | 64.8 Ų | 64.8 | 34% | 0.337 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 129.7 | 174.2 | -64 | -75.8 | 0 | 0 | 0 | 110.4 | L509 | L509-Y639 WeakPolarHBondContact O-CA 3.39Å |
| 640 | L | 89.7 | Confident | 93 | Very high | 78 Ų | 78 | 63.8 Ų | 63.8 | 41% | 0.408 | 34% | 0.339 | S | S | . | . | trans | -111.4 | -22.2 | -171.4 | -61.8 | 179.7 | 0 | 0 | 0 | 113.3 | Y489 N508 L509 H511 V638 | Y489-L640 HydrophobicContact CD1-CD1 4.34Å; N508-L640 HydrophobicContact CB-CB 4.04Å; N508-L640 HydrophobicContact CB-CD1 3.92Å; N508-L640 CarbonylContact O-C 3.26Å; N508-L640 WeakPolarHBondContact O-CB 3.41Å; L509-L640 PolarHBondContact O-N 2.91Å; H511-L640 HydrophobicContact CB-CD1 3.87Å; H511-L640 HydrophobicContact CB-CG 4.44Å; V638-L640 HydrophobicContact CG1-CD2 4.04Å | ||
| 641 | D | 88.1 | Confident | 93.2 | Very high | 6 Ų | 6 | 63.9 Ų | 63.9 | 3% | 0.032 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -75.1 | -37.3 | -179 | 54.3 | -27.1 | 0 | 0 | 0 | 112.2 | A168 R171 N506 N508 L509 | A168-D641 HydrophobicContact CB-CB 4.48Å; A168-D641 PolarHBondContact N-OD2 3.38Å; R171-D641 IonicContact CZ-OD1 3.52Å; R171-D641 IonicContact CZ-OD2 3.57Å; R171-D641 IonicContact NH1-OD1 4Å; R171-D641 PolarHBondContact NH1-OD1 3.23Å; R171-D641 IonicContact NH1-OD2 2.74Å; R171-D641 PolarHBondContact NH1-OD2 2.87Å; R171-D641 IonicContact NH2-OD1 3.9Å; R171-D641 PolarHBondContact NH2-OD1 3.46Å; R171-D641 IonicContact NH2-OD2 2.88Å; R171-D641 PolarHBondContact NH2-OD2 3.16Å; R171-D641 VanDerWaalsContact NH2-OD2 3.16Å; N506-D641 HydrophobicContact CB-CB 3.95Å; N506-D641 PolarHBondContact ND2-O 2.83Å; N506-D641 PolarHBondContact OD1-O 3.09Å; N508-D641 WeakPolarHBondContact O-CA 3.46Å; N508-D641 WeakPolarHBondContact O-CB 3.41Å; N508-D641 PolarHBondContact O-N 3.01Å; L509-D641 HydrophobicContact CD2-CB 4.02Å; L509-D641 WeakPolarHBondContact CD2-OD2 3.28Å; L509-D641 VanDerWaalsContact O-OD1 3.11Å |
| 642 | F | 88.9 | Confident | 93.4 | Very high | 10 Ų | 10 | 66.2 Ų | 66.2 | 4% | 0.044 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -159.6 | 127.5 | 176.1 | -157.3 | -90.2 | 0 | 0 | 0 | 111.1 | G90 G117 A168 R171 R172 | G90-F642 VanDerWaalsContact C-CE2 3.45Å; G117-F642 WeakPolarHBondContact O-CE2 3.42Å; G117-F642 WeakPolarHBondContact O-CZ 3.5Å; A168-F642 HydrophobicContact CB-CB 3.64Å; A168-F642 HydrophobicContact CB-CG 4.35Å; R171-F642 PolarHBondContact NH2-O 3.39Å; R172-F642 HydrophobicContact CG-CE1 4.22Å |
| 643 | P | 88.6 | Confident | 93.4 | Very high | 51 Ų | 51 | 61.9 Ų | 61.9 | 33% | 0.331 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 136 | 177.5 | -21.8 | 33 | 0 | 0 | 0 | 112.7 | R172 | R172-P643 PolarHBondContact NH1-O 3.18Š|
| 644 | D | 90.3 | Very high | 93.6 | Very high | 68 Ų | 68 | 64.7 Ų | 64.7 | 36% | 0.364 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 147.9 | 170.9 | -73.9 | -19.6 | 0 | 0 | 0 | 110.9 | R171 Q175 T646 | R171-D644 IonicContact NE-OD1 3.92Å; Q175-D644 PolarHBondContact NE2-OD1 2.96Å; D644-T646 PolarHBondContact O-N 3.18Å |
| 645 | L | 91.2 | Very high | 93.7 | Very high | 25 Ų | 25 | 62.4 Ų | 62.4 | 13% | 0.131 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 129 | 171.4 | -79.4 | 176.9 | 0 | 0 | 0 | 110.1 | Q175 I179 E649 | Q175-L645 HydrophobicContact CB-CD1 4.17Å; I179-L645 HydrophobicContact CD1-CD1 3.91Å; I179-L645 HydrophobicContact CG1-CD1 4.38Å; L645-E649 HydrophobicContact CD2-CB 3.79Å |
| 646 | T | 93.5 | Very high | 93.7 | Very high | 73 Ų | 73 | 61.1 Ų | 61.1 | 45% | 0.448 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 152.1 | 166.4 | 66.1 | 0 | 0 | 0 | 0 | 109.8 | D644 K648 E649 L650 | D644-T646 PolarHBondContact O-N 3.18Å; T646-K648 PolarHBondContact O-N 2.79Å; T646-K648 VanDerWaalsContact O-N 3.08Å; T646-E649 WeakPolarHBondContact CB-OE2 3.44Å; T646-E649 WeakPolarHBondContact CG2-OE2 3.33Å; T646-E649 PolarHBondContact N-OE2 2.95Å; T646-E649 PolarHBondContact O-N 3.09Å; T646-E649 VanDerWaalsContact OG1-CG 3.27Å; T646-E649 WeakPolarHBondContact OG1-CG 3.31Å; T646-E649 PolarHBondContact OG1-N 2.93Å; T646-E649 PolarHBondContact OG1-OE2 3.47Å; T646-L650 PolarHBondContact O-N 3.36Å |
| 647 | A | 94.1 | Very high | 93.7 | Very high | 72 Ų | 72 | 56.6 Ų | 56.6 | 60% | 0.595 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -54.4 | -32.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I651 | A647-I651 WeakPolarHBondContact O-CB 3.41Å; A647-I651 WeakPolarHBondContact O-CD1 3.37Å; A647-I651 WeakPolarHBondContact O-CG1 3.39Å; A647-I651 PolarHBondContact O-N 2.94Å |
| 648 | K | 95.7 | Very high | 93.9 | Very high | 166 Ų | 166 | 58.4 Ų | 58.4 | 72% | 0.722 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -67 | -47.1 | 176.3 | -175.4 | -176.8 | 176.5 | -172.3 | 0 | 111.8 | T646 I651 V652 | T646-K648 PolarHBondContact O-N 2.79Å; T646-K648 VanDerWaalsContact O-N 3.08Å; K648-I651 PolarHBondContact O-N 2.83Å; K648-V652 VanDerWaalsContact O-CG2 3.29Å; K648-V652 WeakPolarHBondContact O-CG2 3.38Å; K648-V652 PolarHBondContact O-N 3.32Å |
| 649 | E | 95 | Very high | 94 | Very high | 50 Ų | 50 | 62.2 Ų | 62.2 | 23% | 0.234 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 178.5 | -69.8 | 157.9 | 148.9 | 0 | 0 | 111.1 | S116 L645 T646 I651 V652 S653 | S116-E649 WeakPolarHBondContact CB-OE1 3.33Å; L645-E649 HydrophobicContact CD2-CB 3.79Å; T646-E649 WeakPolarHBondContact CB-OE2 3.44Å; T646-E649 WeakPolarHBondContact CG2-OE2 3.33Å; T646-E649 PolarHBondContact N-OE2 2.95Å; T646-E649 PolarHBondContact O-N 3.09Å; T646-E649 VanDerWaalsContact OG1-CG 3.27Å; T646-E649 WeakPolarHBondContact OG1-CG 3.31Å; T646-E649 PolarHBondContact OG1-N 2.93Å; T646-E649 PolarHBondContact OG1-OE2 3.47Å; E649-I651 PolarHBondContact O-N 3.3Å; E649-V652 PolarHBondContact O-N 3.37Å; E649-S653 PolarHBondContact O-N 2.73Å |
| 650 | L | 95.7 | Very high | 94.3 | Very high | 29 Ų | 29 | 59.9 Ų | 59.9 | 15% | 0.152 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -55 | -50.9 | 174.1 | 179.5 | 61.3 | 0 | 0 | 0 | 111.5 | E178 I179 T646 V652 S653 Q654 | E178-L650 HydrophobicContact CB-CD1 4.14Å; I179-L650 HydrophobicContact CB-CD1 4.46Å; I179-L650 HydrophobicContact CG1-CD1 3.56Å; T646-L650 PolarHBondContact O-N 3.36Å; L650-V652 VanDerWaalsContact C-N 3.33Å; L650-V652 PolarHBondContact O-N 2.84Å; L650-S653 PolarHBondContact O-N 3.43Å; L650-Q654 HydrophobicContact CD1-CG 4.33Å; L650-Q654 WeakPolarHBondContact O-CB 3.29Å; L650-Q654 WeakPolarHBondContact O-CG 3.18Å; L650-Q654 PolarHBondContact O-N 2.82Å |
| 651 | I | 97.1 | Very high | 94.4 | Very high | 98 Ų | 98 | 60.4 Ų | 60.4 | 50% | 0.503 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62 | -39.4 | 178.4 | -70.3 | 165.1 | 0 | 0 | 0 | 111.6 | A647 K648 E649 S655 | A647-I651 WeakPolarHBondContact O-CB 3.41Å; A647-I651 WeakPolarHBondContact O-CD1 3.37Å; A647-I651 WeakPolarHBondContact O-CG1 3.39Å; A647-I651 PolarHBondContact O-N 2.94Å; K648-I651 PolarHBondContact O-N 2.83Å; E649-I651 PolarHBondContact O-N 3.3Å; I651-S655 VanDerWaalsContact O-CB 3.26Å; I651-S655 WeakPolarHBondContact O-CB 3.44Å; I651-S655 PolarHBondContact O-N 2.72Å; I651-S655 PolarHBondContact O-OG 3.09Å |
| 652 | V | 97.3 | Very high | 94.7 | Very high | 78 Ų | 78 | 65.2 Ų | 65.2 | 47% | 0.473 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.3 | -46.4 | 177.9 | 167 | 0 | 0 | 0 | 0 | 110.8 | K648 E649 L650 S655 K656 | K648-V652 VanDerWaalsContact O-CG2 3.29Å; K648-V652 WeakPolarHBondContact O-CG2 3.38Å; K648-V652 PolarHBondContact O-N 3.32Å; E649-V652 PolarHBondContact O-N 3.37Å; L650-V652 VanDerWaalsContact C-N 3.33Å; L650-V652 PolarHBondContact O-N 2.84Å; V652-S655 PolarHBondContact O-N 2.69Å; V652-K656 PolarHBondContact O-N 3.28Å |
| 653 | S | 97.6 | Very high | 94.9 | Very high | 6 Ų | 6 | 66.9 Ų | 66.9 | 4% | 0.042 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -67.5 | -42.5 | 178.4 | -69.5 | 0 | 0 | 0 | 0 | 112.3 | E133 E649 L650 S655 K656 L657 | E133-S653 WeakPolarHBondContact CG-OG 3.42Å; E133-S653 PolarHBondContact OE1-OG 3.25Å; E649-S653 PolarHBondContact O-N 2.73Å; L650-S653 PolarHBondContact O-N 3.43Å; S653-S655 PolarHBondContact O-N 3.28Å; S653-K656 WeakPolarHBondContact O-CB 3.47Å; S653-K656 PolarHBondContact O-N 3.05Å; S653-K656 VanDerWaalsContact O-N 3.15Å; S653-L657 WeakPolarHBondContact O-CD1 3.37Å; S653-L657 PolarHBondContact O-N 3.49Å |
| 654 | Q | 97.6 | Very high | 95.1 | Very high | 70 Ų | 70 | 66.9 Ų | 66.9 | 33% | 0.327 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.5 | -46.3 | 173.3 | -75.7 | 175.3 | -21.5 | 0 | 0 | 111.6 | E178 I179 L650 K656 L657 E658 | E178-Q654 PolarHBondContact O-NE2 2.84Å; I179-Q654 HydrophobicContact CG2-CG 4.47Å; L650-Q654 HydrophobicContact CD1-CG 4.33Å; L650-Q654 WeakPolarHBondContact O-CB 3.29Å; L650-Q654 WeakPolarHBondContact O-CG 3.18Å; L650-Q654 PolarHBondContact O-N 2.82Å; Q654-K656 VanDerWaalsContact C-N 3.25Å; Q654-K656 PolarHBondContact O-N 3.46Å; Q654-L657 PolarHBondContact O-N 3.34Å; Q654-E658 PolarHBondContact O-N 3.08Å |
| 655 | S | 97.8 | Very high | 95.1 | Very high | 58 Ų | 58 | 71.4 Ų | 71.4 | 41% | 0.406 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.6 | -33.1 | 177.2 | -60.1 | 0 | 0 | 0 | 0 | 112.4 | I651 V652 S653 K659 | I651-S655 VanDerWaalsContact O-CB 3.26Å; I651-S655 WeakPolarHBondContact O-CB 3.44Å; I651-S655 PolarHBondContact O-N 2.72Å; I651-S655 PolarHBondContact O-OG 3.09Å; V652-S655 PolarHBondContact O-N 2.69Å; S653-S655 PolarHBondContact O-N 3.28Å; S655-K659 WeakPolarHBondContact O-CG 3.49Å; S655-K659 PolarHBondContact O-N 3.13Å |
| 656 | K | 96.8 | Very high | 95.2 | Very high | 58 Ų | 58 | 77 Ų | 77 | 25% | 0.252 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -69.1 | -44.8 | 175.8 | -167.9 | -175.5 | -64.2 | 173 | 0 | 111.1 | V128 F129 E133 V652 S653 Q654 K659 L660 | V128-K656 PolarHBondContact O-NZ 3.13Å; F129-K656 HydrophobicContact CD1-CD 3.94Å; F129-K656 HydrophobicContact CE1-CD 3.84Å; E133-K656 VanDerWaalsContact OE1-CE 3.28Å; E133-K656 WeakPolarHBondContact OE1-CE 3.5Å; E133-K656 IonicContact OE1-NZ 3.67Å; E133-K656 PolarHBondContact OE1-NZ 3.29Å; E133-K656 IonicContact OE2-NZ 2.72Å; E133-K656 PolarHBondContact OE2-NZ 3.02Å; V652-K656 PolarHBondContact O-N 3.28Å; S653-K656 WeakPolarHBondContact O-CB 3.47Å; S653-K656 PolarHBondContact O-N 3.05Å; S653-K656 VanDerWaalsContact O-N 3.15Å; Q654-K656 VanDerWaalsContact C-N 3.25Å; Q654-K656 PolarHBondContact O-N 3.46Å; K656-K659 PolarHBondContact O-N 2.85Å; K656-L660 WeakPolarHBondContact O-CG 3.47Å; K656-L660 PolarHBondContact O-N 2.81Å |
| 657 | L | 96.8 | Very high | 95 | Very high | 1 Ų | 1 | 76.7 Ų | 76.7 | 1% | 0.005 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65 | -38.2 | 176.2 | -92.2 | 70.8 | 0 | 0 | 0 | 112.1 | E133 A136 M137 I179 S653 Q654 K659 L660 R661 | E133-L657 HydrophobicContact CB-CD1 4.22Å; E133-L657 HydrophobicContact CG-CD1 4.23Å; A136-L657 HydrophobicContact CB-CD2 3.74Å; M137-L657 HydrophobicContact CE-CD1 4.18Å; M137-L657 HydrophobicContact CG-CD1 4.33Å; M137-L657 HydrophobicContact CG-CD2 4.28Å; M137-L657 HydrophobicContact CG-CG 4.12Å; I179-L657 HydrophobicContact CG2-CD1 4.21Å; I179-L657 HydrophobicContact CG2-CD2 4.03Å; S653-L657 WeakPolarHBondContact O-CD1 3.37Å; S653-L657 PolarHBondContact O-N 3.49Å; Q654-L657 PolarHBondContact O-N 3.34Å; L657-K659 PolarHBondContact O-N 2.96Å; L657-L660 PolarHBondContact O-N 3.18Å; L657-L660 VanDerWaalsContact O-N 3.16Å; L657-R661 PolarHBondContact O-N 2.66Å |
| 658 | E | 96.4 | Very high | 94.8 | Very high | 79 Ų | 79 | 76 Ų | 76 | 37% | 0.369 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -56.9 | -49.4 | 175.1 | -169 | 63.1 | -128.4 | 0 | 0 | 111.4 | Q654 L660 R661 E662 | Q654-E658 PolarHBondContact O-N 3.08Å; E658-L660 VanDerWaalsContact C-N 3.27Å; E658-L660 PolarHBondContact O-N 3.07Å; E658-R661 WeakPolarHBondContact O-CA 3.46Å; E658-R661 WeakPolarHBondContact O-CB 3.47Å; E658-R661 PolarHBondContact O-N 3.02Å; E658-R661 IonicContact OE1-NH1 2.91Å; E658-R661 PolarHBondContact OE1-NH1 3.47Å; E658-R661 IonicContact OE2-CZ 3.55Å; E658-R661 IonicContact OE2-NH1 3.06Å; E658-R661 PolarHBondContact OE2-NH1 2.89Å; E658-E662 WeakPolarHBondContact O-CG 3.46Å; E658-E662 PolarHBondContact O-N 3.41Å |
| 659 | K | 96.1 | Very high | 94.6 | Very high | 145 Ų | 145 | 69.5 Ų | 69.5 | 63% | 0.63 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -58.7 | -39.3 | 177 | -70.6 | 174 | -177 | -179.4 | 0 | 112.5 | S655 K656 L657 R661 A663 | S655-K659 WeakPolarHBondContact O-CG 3.49Å; S655-K659 PolarHBondContact O-N 3.13Å; K656-K659 PolarHBondContact O-N 2.85Å; L657-K659 PolarHBondContact O-N 2.96Å; K659-R661 VanDerWaalsContact C-N 3.31Å; K659-A663 WeakPolarHBondContact O-CB 3.08Å; K659-A663 PolarHBondContact O-N 2.99Å |
| 660 | L | 95.3 | Very high | 94.5 | Very high | 36 Ų | 36 | 68.6 Ų | 68.6 | 19% | 0.188 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -70.3 | -28.8 | 177.1 | -66.9 | 168.4 | 0 | 0 | 0 | 112.4 | R64 F129 M137 K656 L657 E658 A664 | R64-L660 PolarHBondContact NH2-O 3.44Å; F129-L660 HydrophobicContact CE1-CD1 3.94Å; F129-L660 HydrophobicContact CZ-CD1 4.36Å; M137-L660 HydrophobicContact CE-CD1 3.44Å; M137-L660 VanDerWaalsContact CE-CD1 3.44Å; M137-L660 HydrophobicContact SD-CD1 4.18Å; K656-L660 WeakPolarHBondContact O-CG 3.47Å; K656-L660 PolarHBondContact O-N 2.81Å; L657-L660 PolarHBondContact O-N 3.18Å; L657-L660 VanDerWaalsContact O-N 3.16Å; E658-L660 VanDerWaalsContact C-N 3.27Å; E658-L660 PolarHBondContact O-N 3.07Å; L660-A664 WeakPolarHBondContact O-CB 3.31Å; L660-A664 PolarHBondContact O-N 3.44Å |
| 661 | R | 93.3 | Very high | 94.3 | Very high | 90 Ų | 90 | 70 Ų | 70 | 34% | 0.34 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -73.2 | -46.2 | 173.7 | -172.9 | -170.2 | -58.4 | 135.9 | 7 | 111.2 | E140 L657 E658 K659 A664 K665 | E140-R661 IonicContact OE1-CZ 3.59Å; E140-R661 VanDerWaalsContact OE1-CZ 3.31Å; E140-R661 IonicContact OE1-NE 3.64Å; E140-R661 PolarHBondContact OE1-NE 3.25Å; E140-R661 IonicContact OE1-NH2 2.73Å; E140-R661 PolarHBondContact OE1-NH2 2.81Å; L657-R661 PolarHBondContact O-N 2.66Å; E658-R661 WeakPolarHBondContact O-CA 3.46Å; E658-R661 WeakPolarHBondContact O-CB 3.47Å; E658-R661 PolarHBondContact O-N 3.02Å; E658-R661 IonicContact OE1-NH1 2.91Å; E658-R661 PolarHBondContact OE1-NH1 3.47Å; E658-R661 IonicContact OE2-CZ 3.55Å; E658-R661 IonicContact OE2-NH1 3.06Å; E658-R661 PolarHBondContact OE2-NH1 2.89Å; K659-R661 VanDerWaalsContact C-N 3.31Å; R661-A664 PolarHBondContact O-N 3.27Å; R661-K665 PolarHBondContact O-N 2.81Å |
| 662 | E | 94.4 | Very high | 94.1 | Very high | 106 Ų | 106 | 71.9 Ų | 71.9 | 50% | 0.495 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57.8 | -49 | 175.6 | -70.8 | 178.9 | 156.9 | 0 | 0 | 110.8 | E658 A664 K665 E666 | E658-E662 WeakPolarHBondContact O-CG 3.46Å; E658-E662 PolarHBondContact O-N 3.41Å; E662-A664 VanDerWaalsContact C-N 3.32Å; E662-A664 PolarHBondContact O-N 2.83Å; E662-K665 WeakPolarHBondContact O-CB 3.46Å; E662-K665 PolarHBondContact O-N 2.97Å; E662-K665 VanDerWaalsContact O-N 3.11Å; E662-E666 WeakPolarHBondContact O-CG 3.23Å; E662-E666 PolarHBondContact O-N 2.86Å |
| 663 | A | 92.4 | Very high | 94 | Very high | 46 Ų | 46 | 68.5 Ų | 68.5 | 38% | 0.38 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.2 | -40.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | K659 K667 | K659-A663 WeakPolarHBondContact O-CB 3.08Å; K659-A663 PolarHBondContact O-N 2.99Å; A663-K667 WeakPolarHBondContact O-CB 3.46Å; A663-K667 PolarHBondContact O-N 2.99Å |
| 664 | A | 91.8 | Very high | 93.8 | Very high | 50 Ų | 50 | 68.2 Ų | 68.2 | 41% | 0.413 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67 | -37.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L660 R661 E662 K667 A668 | L660-A664 WeakPolarHBondContact O-CB 3.31Å; L660-A664 PolarHBondContact O-N 3.44Å; R661-A664 PolarHBondContact O-N 3.27Å; E662-A664 VanDerWaalsContact C-N 3.32Å; E662-A664 PolarHBondContact O-N 2.83Å; A664-K667 PolarHBondContact O-N 3.09Å; A664-A668 WeakPolarHBondContact O-CB 3.13Å; A664-A668 PolarHBondContact O-N 3.39Å |
| 665 | K | 92.2 | Very high | 93.6 | Very high | 163 Ų | 163 | 69 Ų | 69 | 71% | 0.709 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -66.9 | -42.7 | 176.6 | -176.1 | -179.1 | 178.2 | -178.5 | 0 | 111.8 | R661 E662 K667 A668 A669 | R661-K665 PolarHBondContact O-N 2.81Å; E662-K665 WeakPolarHBondContact O-CB 3.46Å; E662-K665 PolarHBondContact O-N 2.97Å; E662-K665 VanDerWaalsContact O-N 3.11Å; K665-K667 VanDerWaalsContact C-N 3.34Å; K665-A668 PolarHBondContact O-N 2.98Å; K665-A669 WeakPolarHBondContact O-CB 3.15Å; K665-A669 PolarHBondContact O-N 2.83Å |
| 666 | E | 91.5 | Very high | 93.5 | Very high | 144 Ų | 144 | 69.9 Ų | 69.9 | 67% | 0.673 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -61 | -44.8 | 174.8 | -72.6 | 179.7 | 174.9 | 0 | 0 | 111.3 | E662 A669 L670 | E662-E666 WeakPolarHBondContact O-CG 3.23Å; E662-E666 PolarHBondContact O-N 2.86Å; E666-A669 PolarHBondContact O-N 3.48Å; E666-L670 PolarHBondContact O-N 3.27Å |
| 667 | K | 89.7 | Confident | 93.4 | Very high | 66 Ų | 66 | 67.1 Ų | 67.1 | 29% | 0.287 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.1 | -47.6 | 175.2 | 178.8 | 168.3 | 177 | 161.3 | 0 | 112.4 | E63 A663 A664 K665 A669 L670 D671 | E63-K667 HydrophobicContact CB-CD 4.4Å; E63-K667 HydrophobicContact CG-CD 4.28Å; E63-K667 IonicContact OE1-NZ 2.75Å; E63-K667 IonicContact OE2-NZ 2.84Å; E63-K667 PolarHBondContact OE2-NZ 3.1Å; A663-K667 WeakPolarHBondContact O-CB 3.46Å; A663-K667 PolarHBondContact O-N 2.99Å; A664-K667 PolarHBondContact O-N 3.09Å; K665-K667 VanDerWaalsContact C-N 3.34Å; K667-A669 PolarHBondContact O-N 2.96Å; K667-L670 WeakPolarHBondContact O-CA 3.48Å; K667-L670 WeakPolarHBondContact O-CB 2.97Å; K667-L670 PolarHBondContact O-N 2.92Å; K667-L670 VanDerWaalsContact O-N 3.07Å; K667-D671 PolarHBondContact O-N 3.24Å |
| 668 | A | 89.9 | Confident | 93.3 | Very high | 58 Ų | 58 | 70.7 Ų | 70.7 | 48% | 0.479 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.8 | -37 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | A664 K665 Q672 | A664-A668 WeakPolarHBondContact O-CB 3.13Å; A664-A668 PolarHBondContact O-N 3.39Å; K665-A668 PolarHBondContact O-N 2.98Å; A668-Q672 WeakPolarHBondContact O-CB 3.36Å; A668-Q672 PolarHBondContact O-N 3.38Å |
| 669 | A | 92.5 | Very high | 93.2 | Very high | 29 Ų | 29 | 70.3 Ų | 70.3 | 24% | 0.24 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -69.2 | -35.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K665 E666 K667 S673 K724 | K665-A669 WeakPolarHBondContact O-CB 3.15Å; K665-A669 PolarHBondContact O-N 2.83Å; E666-A669 PolarHBondContact O-N 3.48Å; K667-A669 PolarHBondContact O-N 2.96Å; A669-S673 PolarHBondContact O-N 3.18Å; A669-S673 PolarHBondContact O-OG 3.09Å; A669-K724 HydrophobicContact CB-CD 4.08Å |
| 670 | L | 91.9 | Very high | 93.2 | Very high | 31 Ų | 31 | 64.5 Ų | 64.5 | 16% | 0.162 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.1 | -52.3 | 171 | 172.6 | 61.8 | 0 | 0 | 0 | 110.6 | E666 K667 Q672 S673 I674 G722 K724 Y727 | E666-L670 PolarHBondContact O-N 3.27Å; K667-L670 WeakPolarHBondContact O-CA 3.48Å; K667-L670 WeakPolarHBondContact O-CB 2.97Å; K667-L670 PolarHBondContact O-N 2.92Å; K667-L670 VanDerWaalsContact O-N 3.07Å; L670-Q672 VanDerWaalsContact C-N 3.28Å; L670-Q672 PolarHBondContact O-N 2.64Å; L670-S673 CarbonylContact O-C 3.55Å; L670-S673 WeakPolarHBondContact O-CA 3.39Å; L670-S673 WeakPolarHBondContact O-CB 3.43Å; L670-S673 PolarHBondContact O-N 3.33Å; L670-I674 HydrophobicContact CD1-CD1 3.98Å; L670-I674 HydrophobicContact CD1-CG1 4.13Å; L670-I674 HydrophobicContact CG-CD1 3.82Å; L670-I674 HydrophobicContact CG-CG1 4.4Å; L670-I674 WeakPolarHBondContact O-CG1 3.19Å; L670-I674 PolarHBondContact O-N 2.88Å; L670-G722 WeakPolarHBondContact CD1-O 3.36Å; L670-K724 HydrophobicContact CB-CB 4.47Å; L670-K724 HydrophobicContact CD1-CB 4.13Å; L670-Y727 HydrophobicContact CD1-CD2 3.67Å; L670-Y727 HydrophobicContact CD1-CE2 3.53Å |
| 671 | D | 91.4 | Very high | 93.1 | Very high | 57 Ų | 57 | 63.5 Ų | 63.5 | 31% | 0.305 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57.9 | -40.3 | 179.5 | -68.6 | -23.5 | 0 | 0 | 0 | 111.7 | K667 S673 I674 N675 | K667-D671 PolarHBondContact O-N 3.24Å; D671-S673 VanDerWaalsContact C-N 3.31Å; D671-S673 PolarHBondContact O-N 2.63Å; D671-I674 PolarHBondContact O-N 3.32Å; D671-N675 WeakPolarHBondContact O-CB 3.05Å; D671-N675 PolarHBondContact O-N 2.84Å; D671-N675 PolarHBondContact O-ND2 3.23Å |
| 672 | Q | 93.2 | Very high | 93 | Very high | 138 Ų | 138 | 63.5 Ų | 63.5 | 65% | 0.645 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61.3 | -40 | 173.4 | -174.8 | -178.2 | 8.1 | 0 | 0 | 112.2 | A668 L670 L676 | A668-Q672 WeakPolarHBondContact O-CB 3.36Å; A668-Q672 PolarHBondContact O-N 3.38Å; L670-Q672 VanDerWaalsContact C-N 3.28Å; L670-Q672 PolarHBondContact O-N 2.64Å; Q672-L676 VanDerWaalsContact O-CB 3.27Å; Q672-L676 WeakPolarHBondContact O-CB 2.98Å; Q672-L676 PolarHBondContact O-N 3.26Å |
| 673 | S | 95 | Very high | 93 | Very high | 8 Ų | 8 | 62.4 Ų | 62.4 | 6% | 0.056 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -70.9 | -40.5 | 179.6 | -51.8 | 0 | 0 | 0 | 0 | 110.8 | A669 L670 D671 L676 L677 K724 D728 I731 | A669-S673 PolarHBondContact O-N 3.18Å; A669-S673 PolarHBondContact O-OG 3.09Å; L670-S673 CarbonylContact O-C 3.55Å; L670-S673 WeakPolarHBondContact O-CA 3.39Å; L670-S673 WeakPolarHBondContact O-CB 3.43Å; L670-S673 PolarHBondContact O-N 3.33Å; D671-S673 VanDerWaalsContact C-N 3.31Å; D671-S673 PolarHBondContact O-N 2.63Å; S673-L676 PolarHBondContact O-N 3.41Å; S673-L677 PolarHBondContact O-N 2.86Å; S673-K724 WeakPolarHBondContact OG-CE 3.36Å; S673-K724 WeakPolarHBondContact OG-CG 3.34Å; S673-K724 PolarHBondContact OG-NZ 2.86Å; S673-D728 PolarHBondContact OG-OD1 3.31Å; S673-I731 WeakPolarHBondContact O-CD1 3.31Å |
| 674 | I | 93.8 | Very high | 93 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.5 | -54.8 | 172.9 | -68.4 | 168.7 | 0 | 0 | 0 | 110.2 | L670 D671 L676 L677 E678 F715 H720 Y727 | L670-I674 HydrophobicContact CD1-CD1 3.98Å; L670-I674 HydrophobicContact CD1-CG1 4.13Å; L670-I674 HydrophobicContact CG-CD1 3.82Å; L670-I674 HydrophobicContact CG-CG1 4.4Å; L670-I674 WeakPolarHBondContact O-CG1 3.19Å; L670-I674 PolarHBondContact O-N 2.88Å; D671-I674 PolarHBondContact O-N 3.32Å; I674-L676 VanDerWaalsContact C-N 3.27Å; I674-L676 PolarHBondContact O-N 2.94Å; I674-L677 PolarHBondContact O-N 2.88Å; I674-L677 VanDerWaalsContact O-N 3.13Å; I674-E678 PolarHBondContact O-N 3.09Å; I674-F715 HydrophobicContact CG2-CE2 3.99Å; I674-F715 HydrophobicContact CG2-CZ 4.2Å; I674-H720 HydrophobicContact CD1-CB 4.22Å; I674-Y727 HydrophobicContact CB-CE1 4.45Å; I674-Y727 HydrophobicContact CD1-CE2 4.46Å; I674-Y727 HydrophobicContact CG1-CD1 3.92Å; I674-Y727 HydrophobicContact CG1-CD2 4.31Å; I674-Y727 HydrophobicContact CG1-CE1 3.59Å; I674-Y727 HydrophobicContact CG1-CE2 3.99Å; I674-Y727 HydrophobicContact CG1-CG 4.29Å |
| 675 | N | 93.2 | Very high | 93 | Very high | 87 Ų | 87 | 62 Ų | 62 | 47% | 0.465 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.7 | -37.5 | -178.4 | -68.2 | -22.2 | 0 | 0 | 0 | 112 | D671 T679 | D671-N675 WeakPolarHBondContact O-CB 3.05Å; D671-N675 PolarHBondContact O-N 2.84Å; D671-N675 PolarHBondContact O-ND2 3.23Å; N675-T679 VanDerWaalsContact O-CB 3.26Å; N675-T679 WeakPolarHBondContact O-CB 3.46Å; N675-T679 PolarHBondContact O-N 3.33Å; N675-T679 PolarHBondContact O-OG1 2.8Å |
| 676 | L | 95.7 | Very high | 92.9 | Very high | 76 Ų | 76 | 58.7 Ų | 58.7 | 40% | 0.398 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.4 | -44.1 | 176.5 | 179.7 | 59.1 | 0 | 0 | 0 | 111.5 | Q672 S673 I674 L680 I731 | Q672-L676 VanDerWaalsContact O-CB 3.27Å; Q672-L676 WeakPolarHBondContact O-CB 2.98Å; Q672-L676 PolarHBondContact O-N 3.26Å; S673-L676 PolarHBondContact O-N 3.41Å; I674-L676 VanDerWaalsContact C-N 3.27Å; I674-L676 PolarHBondContact O-N 2.94Å; L676-L680 HydrophobicContact CD1-CD1 4.24Å; L676-L680 HydrophobicContact CD1-CG 4.31Å; L676-L680 HydrophobicContact CG-CD1 4.13Å; L676-L680 WeakPolarHBondContact O-CB 3.48Å; L676-L680 VanDerWaalsContact O-CG 3.24Å; L676-L680 WeakPolarHBondContact O-CG 3.42Å; L676-L680 PolarHBondContact O-N 3.36Å; L676-I731 HydrophobicContact CB-CD1 4.2Å; L676-I731 HydrophobicContact CD2-CD1 4.05Å; L676-I731 HydrophobicContact CD2-CG2 4.07Å; L676-I731 HydrophobicContact CG-CD1 4.11Å; L676-I731 HydrophobicContact CG-CG1 4.49Å; L676-I731 HydrophobicContact CG-CG2 4.46Å |
| 677 | L | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.9 | -47.4 | 176.4 | -179.5 | 59.5 | 0 | 0 | 0 | 111.1 | S673 I674 T679 L680 L681 W714 F715 Y727 R730 I731 I734 | S673-L677 PolarHBondContact O-N 2.86Å; I674-L677 PolarHBondContact O-N 2.88Å; I674-L677 VanDerWaalsContact O-N 3.13Å; L677-T679 VanDerWaalsContact C-N 3.34Å; L677-T679 PolarHBondContact O-N 2.79Å; L677-L680 CarbonylContact O-C 3.59Å; L677-L680 WeakPolarHBondContact O-CB 3.44Å; L677-L680 PolarHBondContact O-N 3.03Å; L677-L680 VanDerWaalsContact O-N 3.1Å; L677-L681 HydrophobicContact CD1-CD1 4.34Å; L677-L681 HydrophobicContact CD1-CD2 4.47Å; L677-L681 HydrophobicContact CD1-CG 4.1Å; L677-L681 HydrophobicContact CG-CD1 4.06Å; L677-L681 HydrophobicContact CG-CG 4.29Å; L677-L681 WeakPolarHBondContact O-CG 3.41Å; L677-L681 PolarHBondContact O-N 2.86Å; L677-W714 HydrophobicContact CD2-CZ3 4.07Å; L677-F715 HydrophobicContact CD2-CD2 4.06Å; L677-Y727 HydrophobicContact CD2-CD1 3.8Å; L677-R730 HydrophobicContact CD1-CB 4.1Å; L677-R730 HydrophobicContact CD2-CB 4.27Å; L677-I731 HydrophobicContact CB-CD1 4.14Å; L677-I731 HydrophobicContact CB-CG1 3.87Å; L677-I731 HydrophobicContact CD1-CG1 4.07Å; L677-I734 HydrophobicContact CD1-CD1 3.77Å |
| 678 | E | 93.6 | Very high | 92.9 | Very high | 76 Ų | 76 | 53.3 Ų | 53.3 | 36% | 0.355 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.1 | -48.3 | 177.8 | -175.7 | 178.9 | -171.4 | 0 | 0 | 111.3 | I674 L680 L681 I682 F715 | I674-E678 PolarHBondContact O-N 3.09Å; E678-L680 VanDerWaalsContact C-N 3.3Å; E678-L680 PolarHBondContact O-N 2.87Å; E678-L681 PolarHBondContact O-N 3.26Å; E678-I682 HydrophobicContact CG-CD1 3.97Å; E678-I682 WeakPolarHBondContact O-CG1 3.38Å; E678-I682 PolarHBondContact O-N 3.12Å; E678-F715 HydrophobicContact CB-CE2 4.49Å; E678-F715 HydrophobicContact CB-CZ 4.05Å; E678-F715 HydrophobicContact CG-CZ 4.35Å |
| 679 | T | 94.9 | Very high | 92.5 | Very high | 71 Ų | 71 | 54.9 Ų | 54.9 | 44% | 0.436 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.9 | -40.9 | 175.7 | -60.6 | 0 | 0 | 0 | 0 | 111.7 | N675 L677 N683 | N675-T679 VanDerWaalsContact O-CB 3.26Å; N675-T679 WeakPolarHBondContact O-CB 3.46Å; N675-T679 PolarHBondContact O-N 3.33Å; N675-T679 PolarHBondContact O-OG1 2.8Å; L677-T679 VanDerWaalsContact C-N 3.34Å; L677-T679 PolarHBondContact O-N 2.79Å; T679-N683 VanDerWaalsContact CG2-ND2 3.29Å; T679-N683 WeakPolarHBondContact CG2-ND2 3.24Å; T679-N683 VanDerWaalsContact O-CB 3.23Å; T679-N683 WeakPolarHBondContact O-CB 3.47Å; T679-N683 PolarHBondContact O-N 3.35Å; T679-N683 PolarHBondContact O-ND2 3Å |
| 680 | L | 95.2 | Very high | 92.3 | Very high | 22 Ų | 22 | 57.2 Ų | 57.2 | 12% | 0.115 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.5 | -42.8 | 177.1 | -79 | 171.4 | 0 | 0 | 0 | 111.9 | L676 L677 E678 T684 I731 Q735 I738 | L676-L680 HydrophobicContact CD1-CD1 4.24Å; L676-L680 HydrophobicContact CD1-CG 4.31Å; L676-L680 HydrophobicContact CG-CD1 4.13Å; L676-L680 WeakPolarHBondContact O-CB 3.48Å; L676-L680 VanDerWaalsContact O-CG 3.24Å; L676-L680 WeakPolarHBondContact O-CG 3.42Å; L676-L680 PolarHBondContact O-N 3.36Å; L677-L680 CarbonylContact O-C 3.59Å; L677-L680 WeakPolarHBondContact O-CB 3.44Å; L677-L680 PolarHBondContact O-N 3.03Å; L677-L680 VanDerWaalsContact O-N 3.1Å; E678-L680 VanDerWaalsContact C-N 3.3Å; E678-L680 PolarHBondContact O-N 2.87Å; L680-T684 WeakPolarHBondContact O-CB 3.27Å; L680-T684 PolarHBondContact O-N 2.88Å; L680-T684 PolarHBondContact O-OG1 2.9Å; L680-I731 HydrophobicContact CD1-CB 4.3Å; L680-I731 HydrophobicContact CD1-CG1 4.14Å; L680-I731 HydrophobicContact CD1-CG2 3.79Å; L680-Q735 HydrophobicContact CD1-CG 4.23Å; L680-I738 HydrophobicContact CD2-CD1 4.2Å |
| 681 | L | 94.2 | Very high | 92 | Very high | 16 Ų | 16 | 57.6 Ų | 57.6 | 8% | 0.084 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61 | -51.5 | 178.6 | -71.4 | 172.6 | 0 | 0 | 0 | 110.6 | L677 E678 N685 L708 A711 F715 I734 | L677-L681 HydrophobicContact CD1-CD1 4.34Å; L677-L681 HydrophobicContact CD1-CD2 4.47Å; L677-L681 HydrophobicContact CD1-CG 4.1Å; L677-L681 HydrophobicContact CG-CD1 4.06Å; L677-L681 HydrophobicContact CG-CG 4.29Å; L677-L681 WeakPolarHBondContact O-CG 3.41Å; L677-L681 PolarHBondContact O-N 2.86Å; E678-L681 PolarHBondContact O-N 3.26Å; L681-N685 VanDerWaalsContact O-CB 3.26Å; L681-N685 WeakPolarHBondContact O-CB 3.34Å; L681-N685 PolarHBondContact O-N 2.93Å; L681-L708 HydrophobicContact CD2-CD2 3.87Å; L681-A711 HydrophobicContact CD2-CB 3.87Å; L681-F715 HydrophobicContact CD1-CB 4.18Å; L681-F715 HydrophobicContact CD1-CG 4.29Å; L681-I734 HydrophobicContact CD2-CD1 3.89Å |
| 682 | I | 91.9 | Very high | 92 | Very high | 89 Ų | 89 | 55.6 Ų | 55.6 | 46% | 0.456 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.5 | -55.5 | -179.9 | -64.8 | 168.6 | 0 | 0 | 0 | 110.4 | E678 T684 N685 D686 | E678-I682 HydrophobicContact CG-CD1 3.97Å; E678-I682 WeakPolarHBondContact O-CG1 3.38Å; E678-I682 PolarHBondContact O-N 3.12Å; I682-T684 PolarHBondContact O-N 3.11Å; I682-N685 PolarHBondContact O-N 3.39Å; I682-D686 PolarHBondContact O-N 3.03Å |
| 683 | N | 92.9 | Very high | 91.8 | Very high | 83 Ų | 83 | 58 Ų | 58 | 44% | 0.444 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.3 | -38.5 | -175.7 | -70.7 | -22.7 | 0 | 0 | 0 | 112.4 | T679 M687 | T679-N683 VanDerWaalsContact CG2-ND2 3.29Å; T679-N683 WeakPolarHBondContact CG2-ND2 3.24Å; T679-N683 VanDerWaalsContact O-CB 3.23Å; T679-N683 WeakPolarHBondContact O-CB 3.47Å; T679-N683 PolarHBondContact O-N 3.35Å; T679-N683 PolarHBondContact O-ND2 3Å; N683-M687 WeakPolarHBondContact O-CB 3.41Å; N683-M687 WeakPolarHBondContact O-CG 3.46Å; N683-M687 PolarHBondContact O-N 3.1Å |
| 684 | T | 93.6 | Very high | 91.6 | Very high | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.012 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -70.6 | -39.7 | -177.9 | -53.8 | 0 | 0 | 0 | 0 | 110.6 | L680 I682 D686 M687 I688 Y692 L704 L708 I734 I738 | L680-T684 WeakPolarHBondContact O-CB 3.27Å; L680-T684 PolarHBondContact O-N 2.88Å; L680-T684 PolarHBondContact O-OG1 2.9Å; I682-T684 PolarHBondContact O-N 3.11Å; T684-D686 VanDerWaalsContact C-N 3.34Å; T684-D686 PolarHBondContact O-N 3.16Å; T684-M687 PolarHBondContact O-N 2.99Å; T684-I688 WeakPolarHBondContact O-CG1 3.5Å; T684-I688 PolarHBondContact O-N 3.25Å; T684-Y692 HydrophobicContact CG2-CD2 4.46Å; T684-Y692 HydrophobicContact CG2-CE2 3.88Å; T684-L704 HydrophobicContact CG2-CD1 4.12Å; T684-L704 HydrophobicContact CG2-CD2 3.88Å; T684-L704 HydrophobicContact CG2-CG 4.23Å; T684-L708 HydrophobicContact CG2-CD1 3.59Å; T684-L708 HydrophobicContact CG2-CD2 4Å; T684-L708 HydrophobicContact CG2-CG 4.25Å; T684-I734 HydrophobicContact CG2-CG2 4.48Å; T684-I738 HydrophobicContact CG2-CG2 3.7Å |
| 685 | N | 91.6 | Very high | 91.5 | Very high | 86 Ų | 86 | 64 Ų | 64 | 46% | 0.46 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 175.7 | -174.3 | 70.2 | 0 | 0 | 0 | 112 | L681 I682 M687 I688 | L681-N685 VanDerWaalsContact O-CB 3.26Å; L681-N685 WeakPolarHBondContact O-CB 3.34Å; L681-N685 PolarHBondContact O-N 2.93Å; I682-N685 PolarHBondContact O-N 3.39Å; N685-M687 VanDerWaalsContact C-N 3.34Å; N685-M687 PolarHBondContact O-N 3.12Å; N685-I688 PolarHBondContact O-N 3.1Å |
| 686 | D | 90.6 | Very high | 91.4 | Very high | 94 Ų | 94 | 60.1 Ų | 60.1 | 50% | 0.503 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.7 | -39.1 | 175.4 | -72.2 | -8.3 | 0 | 0 | 0 | 112.1 | I682 T684 T690 | I682-D686 PolarHBondContact O-N 3.03Å; T684-D686 VanDerWaalsContact C-N 3.34Å; T684-D686 PolarHBondContact O-N 3.16Å; D686-T690 PolarHBondContact O-OG1 3.16Å |
| 687 | M | 90.8 | Very high | 91.3 | Very high | 73 Ų | 73 | 57.5 Ų | 57.5 | 36% | 0.36 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -73.3 | -32.3 | -178.8 | -69.6 | -71 | 164.5 | 0 | 0 | 113 | N683 T684 N685 S689 T690 D691 Y692 | N683-M687 WeakPolarHBondContact O-CB 3.41Å; N683-M687 WeakPolarHBondContact O-CG 3.46Å; N683-M687 PolarHBondContact O-N 3.1Å; T684-M687 PolarHBondContact O-N 2.99Å; N685-M687 VanDerWaalsContact C-N 3.34Å; N685-M687 PolarHBondContact O-N 3.12Å; M687-S689 PolarHBondContact O-N 3.36Å; M687-T690 WeakPolarHBondContact CA-OG1 3.26Å; M687-T690 CarbonylContact O-C 3.6Å; M687-T690 PolarHBondContact O-N 2.82Å; M687-T690 VanDerWaalsContact O-N 3.09Å; M687-D691 PolarHBondContact O-N 3.34Å; M687-D691 HydrophobicContact SD-CB 3.96Å; M687-Y692 HydrophobicContact CB-CD1 4.17Å; M687-Y692 HydrophobicContact CB-CD2 3.47Å; M687-Y692 VanDerWaalsContact CB-CD2 3.47Å; M687-Y692 HydrophobicContact CB-CE1 4.08Å; M687-Y692 HydrophobicContact CB-CE2 3.34Å; M687-Y692 HydrophobicContact CB-CG 3.89Å; M687-Y692 HydrophobicContact CG-CE2 4.3Å; M687-Y692 WeakPolarHBondContact O-CB 3.35Å; M687-Y692 PolarHBondContact O-N 3.27Å |
| 688 | I | 89.1 | Confident | 91.1 | Very high | 24 Ų | 24 | 65.5 Ų | 65.5 | 12% | 0.123 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -54.4 | -44.7 | 174.4 | -79.8 | 178.2 | 0 | 0 | 0 | 110.9 | T684 N685 T690 Y692 R693 L704 D705 L708 | T684-I688 WeakPolarHBondContact O-CG1 3.5Å; T684-I688 PolarHBondContact O-N 3.25Å; N685-I688 PolarHBondContact O-N 3.1Å; I688-T690 VanDerWaalsContact C-N 3.27Å; I688-T690 PolarHBondContact O-N 3.12Å; I688-Y692 HydrophobicContact CG1-CD2 4.25Å; I688-R693 PolarHBondContact O-N 2.66Å; I688-L704 HydrophobicContact CD1-CB 4.49Å; I688-L704 HydrophobicContact CD1-CD2 3.85Å; I688-L704 HydrophobicContact CD1-CG 3.87Å; I688-L704 HydrophobicContact CG1-CD2 3.78Å; I688-L704 HydrophobicContact CG1-CG 4.38Å; I688-D705 HydrophobicContact CD1-CB 4.31Å; I688-L708 HydrophobicContact CD1-CD1 3.34Å; I688-L708 HydrophobicContact CD1-CG 4.49Å; I688-L708 HydrophobicContact CG1-CD1 4.4Å |
| 689 | S | 82.9 | Confident | 91.1 | Very high | 90 Ų | 90 | 68.6 Ų | 68.6 | 63% | 0.629 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -11.9 | -177.6 | -63.1 | 0 | 0 | 0 | 0 | 113.5 | M687 | M687-S689 PolarHBondContact O-N 3.36Š|
| 690 | T | 87.6 | Confident | 91.1 | Very high | 78 Ų | 78 | 68.2 Ų | 68.2 | 48% | 0.479 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.2 | -92.3 | -170.4 | 57.2 | 0 | 0 | 0 | 0 | 112.7 | D686 M687 I688 | D686-T690 PolarHBondContact O-OG1 3.16Å; M687-T690 WeakPolarHBondContact CA-OG1 3.26Å; M687-T690 CarbonylContact O-C 3.6Å; M687-T690 PolarHBondContact O-N 2.82Å; M687-T690 VanDerWaalsContact O-N 3.09Å; I688-T690 VanDerWaalsContact C-N 3.27Å; I688-T690 PolarHBondContact O-N 3.12Å |
| 691 | D | 85.7 | Confident | 91 | Very high | 39 Ų | 39 | 68.4 Ų | 68.4 | 21% | 0.209 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -39.9 | -172.1 | -102.6 | 13.2 | 0 | 0 | 0 | 112 | M687 R693 K694 Y695 K749 | M687-D691 PolarHBondContact O-N 3.34Å; M687-D691 HydrophobicContact SD-CB 3.96Å; D691-R693 VanDerWaalsContact C-N 3.29Å; D691-R693 PolarHBondContact O-N 3.33Å; D691-K694 WeakPolarHBondContact O-CB 3.47Å; D691-K694 PolarHBondContact O-N 3.44Å; D691-K694 VanDerWaalsContact O-N 3.08Å; D691-K694 IonicContact OD1-NZ 3.72Å; D691-K694 PolarHBondContact OD1-NZ 3.3Å; D691-Y695 WeakPolarHBondContact O-CD2 3.44Å; D691-Y695 WeakPolarHBondContact O-CE2 3.26Å; D691-K749 IonicContact OD2-NZ 3.96Å; D691-K749 PolarHBondContact OD2-NZ 3.19Å |
| 692 | Y | 90.9 | Very high | 91 | Very high | 15 Ų | 15 | 74.5 Ų | 74.5 | 6% | 0.059 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -68.1 | -29.3 | 179.2 | -62.3 | -20.1 | 0 | 0 | 0 | 112.6 | T684 M687 I688 K694 Y695 G696 L704 I738 I741 Q742 | T684-Y692 HydrophobicContact CG2-CD2 4.46Å; T684-Y692 HydrophobicContact CG2-CE2 3.88Å; M687-Y692 HydrophobicContact CB-CD1 4.17Å; M687-Y692 HydrophobicContact CB-CD2 3.47Å; M687-Y692 VanDerWaalsContact CB-CD2 3.47Å; M687-Y692 HydrophobicContact CB-CE1 4.08Å; M687-Y692 HydrophobicContact CB-CE2 3.34Å; M687-Y692 HydrophobicContact CB-CG 3.89Å; M687-Y692 HydrophobicContact CG-CE2 4.3Å; M687-Y692 WeakPolarHBondContact O-CB 3.35Å; M687-Y692 PolarHBondContact O-N 3.27Å; I688-Y692 HydrophobicContact CG1-CD2 4.25Å; Y692-K694 PolarHBondContact O-N 3.49Å; Y692-K694 VanDerWaalsContact O-N 3.08Å; Y692-Y695 CarbonylContact O-C 3.54Å; Y692-Y695 PolarHBondContact O-N 3.23Å; Y692-G696 PolarHBondContact O-N 2.94Å; Y692-L704 HydrophobicContact CD2-CD2 4.25Å; Y692-I738 HydrophobicContact CE2-CB 4.49Å; Y692-I738 HydrophobicContact CE2-CG2 4.08Å; Y692-I741 HydrophobicContact CD1-CB 4.41Å; Y692-I741 HydrophobicContact CD1-CG2 3.48Å; Y692-I741 VanDerWaalsContact CD1-CG2 3.48Å; Y692-I741 HydrophobicContact CE1-CG2 4.21Å; Y692-I741 HydrophobicContact CG-CG2 3.85Å; Y692-Q742 HydrophobicContact CE1-CG 3.83Å; Y692-Q742 PolarHBondContact OH-NE2 3.39Å |
| 693 | R | 89.8 | Confident | 91.2 | Very high | 189 Ų | 189 | 74.7 Ų | 74.7 | 71% | 0.713 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -56.2 | -26.2 | 171.4 | -166 | 171.6 | -173.1 | -86.1 | -5.1 | 113.3 | I688 D691 | I688-R693 PolarHBondContact O-N 2.66Å; D691-R693 VanDerWaalsContact C-N 3.29Å; D691-R693 PolarHBondContact O-N 3.33Å |
| 694 | K | 89.5 | Confident | 91.3 | Very high | 109 Ų | 109 | 70.8 Ų | 70.8 | 47% | 0.474 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -82.8 | -22.6 | 178.6 | -58.3 | 170.8 | -169.4 | 156 | 0 | 112.8 | D691 Y692 T844 | D691-K694 WeakPolarHBondContact O-CB 3.47Å; D691-K694 PolarHBondContact O-N 3.44Å; D691-K694 VanDerWaalsContact O-N 3.08Å; D691-K694 IonicContact OD1-NZ 3.72Å; D691-K694 PolarHBondContact OD1-NZ 3.3Å; Y692-K694 PolarHBondContact O-N 3.49Å; Y692-K694 VanDerWaalsContact O-N 3.08Å; K694-T844 WeakPolarHBondContact O-CB 3.5Å; K694-T844 PolarHBondContact O-OG1 2.92Å |
| 695 | Y | 92.8 | Very high | 91.4 | Very high | 24 Ų | 24 | 73 Ų | 73 | 9% | 0.094 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -129.6 | 0.3 | -168 | -47 | -68.5 | 0 | 0 | 0 | 114.4 | D691 Y692 R744 S745 I748 T844 Y845 | D691-Y695 WeakPolarHBondContact O-CD2 3.44Å; D691-Y695 WeakPolarHBondContact O-CE2 3.26Å; Y692-Y695 CarbonylContact O-C 3.54Å; Y692-Y695 PolarHBondContact O-N 3.23Å; Y695-R744 VanDerWaalsContact O-CZ 3.23Å; Y695-R744 PolarHBondContact O-NE 3.04Å; Y695-R744 PolarHBondContact O-NH2 3.39Å; Y695-S745 VanDerWaalsContact CD2-CB 3.47Å; Y695-S745 WeakPolarHBondContact CD2-OG 3.21Å; Y695-S745 WeakPolarHBondContact CE2-OG 3.3Å; Y695-I748 HydrophobicContact CD1-CD1 3.52Å; Y695-I748 HydrophobicContact CE1-CB 4.19Å; Y695-I748 HydrophobicContact CE1-CD1 3.59Å; Y695-I748 HydrophobicContact CE1-CG1 4.5Å; Y695-I748 HydrophobicContact CE1-CG2 4.19Å; Y695-T844 WeakPolarHBondContact CA-O 3.36Å; Y695-Y845 WeakPolarHBondContact O-CA 3.4Å |
| 696 | G | 91.9 | Very high | 91.6 | Very high | 7 Ų | 7 | 72.4 Ų | 72.4 | 7% | 0.072 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -110 | 142.2 | 175 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y692 | Y692-G696 PolarHBondContact O-N 2.94Š|
| 697 | S | 92.8 | Very high | 91.9 | Very high | 21 Ų | 21 | 68.4 Ų | 68.4 | 15% | 0.147 | 33% | 0.334 | C | S | . | . | trans | -68 | 158.8 | 168.5 | 58.3 | 0 | 0 | 0 | 0 | 110.5 | E699 E700 L701 | S697-E699 PolarHBondContact O-N 3.14Å; S697-E700 WeakPolarHBondContact CB-OE2 3.48Å; S697-E700 PolarHBondContact N-OE2 2.94Å; S697-E700 PolarHBondContact O-N 3.36Å; S697-E700 VanDerWaalsContact OG-CB 3.3Å; S697-E700 WeakPolarHBondContact OG-CB 3.39Å; S697-E700 WeakPolarHBondContact OG-CG 3.4Å; S697-E700 PolarHBondContact OG-N 3.01Å; S697-E700 PolarHBondContact OG-OE2 3.09Å; S697-L701 WeakPolarHBondContact O-CB 3.44Å; S697-L701 VanDerWaalsContact O-CG 3.27Å; S697-L701 WeakPolarHBondContact O-CG 3.25Å; S697-L701 PolarHBondContact O-N 2.96Å | ||
| 698 | E | 91.3 | Very high | 92.1 | Very high | 167 Ų | 167 | 65.3 Ų | 65.3 | 78% | 0.78 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -59.5 | -36.4 | 177.7 | -68.3 | -172.5 | 176.7 | 0 | 0 | 111.3 | K702 | E698-K702 WeakPolarHBondContact O-CB 3.21Å; E698-K702 PolarHBondContact O-N 2.63Å |
| 699 | E | 93.1 | Very high | 92.4 | Very high | 141 Ų | 141 | 69.3 Ų | 69.3 | 66% | 0.659 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -66.6 | -47.5 | 176.6 | -64.7 | 75.7 | -166.6 | 0 | 0 | 112.3 | S697 H703 | S697-E699 PolarHBondContact O-N 3.14Å; E699-H703 WeakPolarHBondContact O-CB 3.35Å; E699-H703 PolarHBondContact O-N 3.48Å |
| 700 | E | 94 | Very high | 93 | Very high | 64 Ų | 64 | 69.7 Ų | 69.7 | 30% | 0.299 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 177.1 | -74.7 | 164.5 | 139.7 | 0 | 0 | 111.2 | S697 H703 L704 R744 | S697-E700 WeakPolarHBondContact CB-OE2 3.48Å; S697-E700 PolarHBondContact N-OE2 2.94Å; S697-E700 PolarHBondContact O-N 3.36Å; S697-E700 VanDerWaalsContact OG-CB 3.3Å; S697-E700 WeakPolarHBondContact OG-CB 3.39Å; S697-E700 WeakPolarHBondContact OG-CG 3.4Å; S697-E700 PolarHBondContact OG-N 3.01Å; S697-E700 PolarHBondContact OG-OE2 3.09Å; E700-H703 PolarHBondContact O-N 3.11Å; E700-L704 VanDerWaalsContact O-CB 3.31Å; E700-L704 WeakPolarHBondContact O-CB 3.44Å; E700-L704 PolarHBondContact O-N 2.84Å; E700-R744 IonicContact OE1-CZ 2.66Å; E700-R744 IonicContact OE1-NH1 3.51Å; E700-R744 PolarHBondContact OE1-NH1 2.89Å; E700-R744 IonicContact OE1-NH2 2.91Å; E700-R744 PolarHBondContact OE1-NH2 3.35Å; E700-R744 IonicContact OE2-CZ 3.39Å; E700-R744 IonicContact OE2-NH1 2.63Å; E700-R744 IonicContact OE2-NH2 2.96Å; E700-R744 PolarHBondContact OE2-NH2 3.03Å |
| 701 | L | 94.1 | Very high | 93.3 | Very high | 25 Ų | 25 | 66.1 Ų | 66.1 | 13% | 0.131 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.1 | -40.4 | -179.1 | -68.5 | 173.7 | 0 | 0 | 0 | 111.6 | S697 L704 D705 I741 | S697-L701 WeakPolarHBondContact O-CB 3.44Å; S697-L701 VanDerWaalsContact O-CG 3.27Å; S697-L701 WeakPolarHBondContact O-CG 3.25Å; S697-L701 PolarHBondContact O-N 2.96Å; L701-L704 PolarHBondContact O-N 3.27Å; L701-D705 VanDerWaalsContact O-CB 3.28Å; L701-D705 WeakPolarHBondContact O-CB 3.29Å; L701-D705 PolarHBondContact O-N 2.94Å; L701-I741 HydrophobicContact CD2-CD1 4.25Å |
| 702 | K | 94.2 | Very high | 93.7 | Very high | 144 Ų | 144 | 66.5 Ų | 66.5 | 63% | 0.626 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -65.6 | -39.9 | 174.5 | -174.3 | 178.5 | -177.4 | 179.9 | 0 | 111.6 | E698 N706 | E698-K702 WeakPolarHBondContact O-CB 3.21Å; E698-K702 PolarHBondContact O-N 2.63Å; K702-N706 PolarHBondContact O-N 2.91Å; K702-N706 VanDerWaalsContact O-N 3.07Å; K702-N706 PolarHBondContact O-ND2 2.98Å |
| 703 | H | 95.7 | Very high | 93.9 | Very high | 94 Ų | 94 | 68.7 Ų | 68.7 | 44% | 0.435 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65 | -46 | 175.8 | -178.7 | 38.6 | 0 | 0 | 0 | 111.5 | E699 E700 N706 V707 | E699-H703 WeakPolarHBondContact O-CB 3.35Å; E699-H703 PolarHBondContact O-N 3.48Å; E700-H703 PolarHBondContact O-N 3.11Å; H703-N706 PolarHBondContact O-N 3.02Å; H703-V707 WeakPolarHBondContact O-CG2 3.38Å; H703-V707 PolarHBondContact O-N 2.77Å |
| 704 | L | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.7 | -46.3 | 176.2 | 179.7 | 65.4 | 0 | 0 | 0 | 111.5 | T684 I688 Y692 E700 L701 N706 V707 L708 L737 I738 I741 | T684-L704 HydrophobicContact CG2-CD1 4.12Å; T684-L704 HydrophobicContact CG2-CD2 3.88Å; T684-L704 HydrophobicContact CG2-CG 4.23Å; I688-L704 HydrophobicContact CD1-CB 4.49Å; I688-L704 HydrophobicContact CD1-CD2 3.85Å; I688-L704 HydrophobicContact CD1-CG 3.87Å; I688-L704 HydrophobicContact CG1-CD2 3.78Å; I688-L704 HydrophobicContact CG1-CG 4.38Å; Y692-L704 HydrophobicContact CD2-CD2 4.25Å; E700-L704 VanDerWaalsContact O-CB 3.31Å; E700-L704 WeakPolarHBondContact O-CB 3.44Å; E700-L704 PolarHBondContact O-N 2.84Å; L701-L704 PolarHBondContact O-N 3.27Å; L704-N706 PolarHBondContact O-N 2.89Å; L704-V707 PolarHBondContact O-N 2.85Å; L704-L708 HydrophobicContact CD1-CG 4.4Å; L704-L708 HydrophobicContact CG-CD1 4.41Å; L704-L708 HydrophobicContact CG-CG 4.47Å; L704-L708 WeakPolarHBondContact O-CG 3.43Å; L704-L708 PolarHBondContact O-N 3.21Å; L704-L737 HydrophobicContact CB-CD1 4.46Å; L704-L737 HydrophobicContact CD1-CB 3.75Å; L704-L737 HydrophobicContact CD1-CD1 4.06Å; L704-I738 HydrophobicContact CD1-CG2 3.87Å; L704-I738 HydrophobicContact CD2-CG2 4.02Å; L704-I741 HydrophobicContact CD2-CD1 4.3Å |
| 705 | D | 94.9 | Very high | 94.2 | Very high | 48 Ų | 48 | 57.1 Ų | 57.1 | 26% | 0.257 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.9 | -45.9 | 176.6 | -179.2 | 51.7 | 0 | 0 | 0 | 111.8 | I688 L701 V707 L708 Q709 | I688-D705 HydrophobicContact CD1-CB 4.31Å; L701-D705 VanDerWaalsContact O-CB 3.28Å; L701-D705 WeakPolarHBondContact O-CB 3.29Å; L701-D705 PolarHBondContact O-N 2.94Å; D705-V707 VanDerWaalsContact C-N 3.34Å; D705-V707 PolarHBondContact O-N 2.74Å; D705-L708 PolarHBondContact O-N 2.82Å; D705-Q709 WeakPolarHBondContact O-CB 3.12Å; D705-Q709 VanDerWaalsContact O-CG 3.31Å; D705-Q709 WeakPolarHBondContact O-CG 3.25Å; D705-Q709 PolarHBondContact O-N 3.32Å; D705-Q709 PolarHBondContact OD1-NE2 3.26Å; D705-Q709 PolarHBondContact OD2-NE2 3.46Å |
| 706 | N | 96.1 | Very high | 94.1 | Very high | 74 Ų | 74 | 61.9 Ų | 61.9 | 40% | 0.396 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.7 | -41.4 | 175.6 | -69.3 | -34.7 | 0 | 0 | 0 | 112.6 | K702 H703 L704 T710 | K702-N706 PolarHBondContact O-N 2.91Å; K702-N706 VanDerWaalsContact O-N 3.07Å; K702-N706 PolarHBondContact O-ND2 2.98Å; H703-N706 PolarHBondContact O-N 3.02Å; L704-N706 PolarHBondContact O-N 2.89Å; N706-T710 WeakPolarHBondContact O-CB 3.39Å; N706-T710 PolarHBondContact O-N 3.01Å; N706-T710 PolarHBondContact O-OG1 3.18Å |
| 707 | V | 96.6 | Very high | 94 | Very high | 11 Ų | 11 | 68.4 Ų | 68.4 | 7% | 0.067 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.4 | -42.8 | 177.6 | 169.2 | 0 | 0 | 0 | 0 | 110.7 | H703 L704 D705 T710 A711 E733 I734 L737 | H703-V707 WeakPolarHBondContact O-CG2 3.38Å; H703-V707 PolarHBondContact O-N 2.77Å; L704-V707 PolarHBondContact O-N 2.85Å; D705-V707 VanDerWaalsContact C-N 3.34Å; D705-V707 PolarHBondContact O-N 2.74Å; V707-T710 PolarHBondContact O-N 2.8Å; V707-A711 VanDerWaalsContact O-CB 3.26Å; V707-A711 WeakPolarHBondContact O-CB 3.35Å; V707-A711 PolarHBondContact O-N 3.38Å; V707-E733 HydrophobicContact CG1-CG 3.97Å; V707-I734 HydrophobicContact CG1-CG1 4.04Å; V707-L737 HydrophobicContact CB-CD1 4.13Å; V707-L737 HydrophobicContact CG1-CD1 4.33Å; V707-L737 HydrophobicContact CG2-CD1 3.87Å |
| 708 | L | 95.8 | Very high | 93.6 | Very high | 7 Ų | 7 | 71.6 Ų | 71.6 | 4% | 0.037 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.3 | -44.9 | 176.2 | -70.9 | -178.9 | 0 | 0 | 0 | 112.2 | L681 T684 I688 L704 D705 T710 A711 S712 I734 | L681-L708 HydrophobicContact CD2-CD2 3.87Å; T684-L708 HydrophobicContact CG2-CD1 3.59Å; T684-L708 HydrophobicContact CG2-CD2 4Å; T684-L708 HydrophobicContact CG2-CG 4.25Å; I688-L708 HydrophobicContact CD1-CD1 3.34Å; I688-L708 HydrophobicContact CD1-CG 4.49Å; I688-L708 HydrophobicContact CG1-CD1 4.4Å; L704-L708 HydrophobicContact CD1-CG 4.4Å; L704-L708 HydrophobicContact CG-CD1 4.41Å; L704-L708 HydrophobicContact CG-CG 4.47Å; L704-L708 WeakPolarHBondContact O-CG 3.43Å; L704-L708 PolarHBondContact O-N 3.21Å; D705-L708 PolarHBondContact O-N 2.82Å; L708-T710 VanDerWaalsContact C-N 3.33Å; L708-T710 PolarHBondContact O-N 2.93Å; L708-A711 PolarHBondContact O-N 2.94Å; L708-S712 VanDerWaalsContact O-CB 3.27Å; L708-S712 WeakPolarHBondContact O-CB 3.43Å; L708-S712 PolarHBondContact O-N 2.85Å; L708-I734 HydrophobicContact CD2-CD1 3.85Å; L708-I734 HydrophobicContact CD2-CG1 4.02Å; L708-I734 HydrophobicContact CD2-CG2 4.04Å |
| 709 | Q | 95.2 | Very high | 92.9 | Very high | 109 Ų | 109 | 64.8 Ų | 64.8 | 51% | 0.509 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 177.3 | -72.5 | 173.5 | 16.5 | 0 | 0 | 111.3 | D705 S712 S713 | D705-Q709 WeakPolarHBondContact O-CB 3.12Å; D705-Q709 VanDerWaalsContact O-CG 3.31Å; D705-Q709 WeakPolarHBondContact O-CG 3.25Å; D705-Q709 PolarHBondContact O-N 3.32Å; D705-Q709 PolarHBondContact OD1-NE2 3.26Å; D705-Q709 PolarHBondContact OD2-NE2 3.46Å; Q709-S712 PolarHBondContact O-N 2.87Å; Q709-S713 WeakPolarHBondContact O-CB 3.49Å; Q709-S713 PolarHBondContact O-N 3.07Å |
| 710 | T | 95.7 | Very high | 92.2 | Very high | 98 Ų | 98 | 63.2 Ų | 63.2 | 60% | 0.601 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -62.8 | -44.4 | 176.2 | -56.1 | 0 | 0 | 0 | 0 | 111.3 | N706 V707 L708 W714 | N706-T710 WeakPolarHBondContact O-CB 3.39Å; N706-T710 PolarHBondContact O-N 3.01Å; N706-T710 PolarHBondContact O-OG1 3.18Å; V707-T710 PolarHBondContact O-N 2.8Å; L708-T710 VanDerWaalsContact C-N 3.33Å; L708-T710 PolarHBondContact O-N 2.93Å; T710-W714 WeakPolarHBondContact O-CB 3.44Å; T710-W714 PolarHBondContact O-N 2.89Å |
| 711 | A | 94.8 | Very high | 91.3 | Very high | 3 Ų | 3 | 67.5 Ų | 67.5 | 3% | 0.025 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68.7 | -38.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L681 V707 L708 W714 F715 I734 | L681-A711 HydrophobicContact CD2-CB 3.87Å; V707-A711 VanDerWaalsContact O-CB 3.26Å; V707-A711 WeakPolarHBondContact O-CB 3.35Å; V707-A711 PolarHBondContact O-N 3.38Å; L708-A711 PolarHBondContact O-N 2.94Å; A711-W714 PolarHBondContact O-N 2.99Å; A711-F715 VanDerWaalsContact O-CB 3.3Å; A711-F715 WeakPolarHBondContact O-CB 3.38Å; A711-F715 PolarHBondContact O-N 2.87Å; A711-I734 HydrophobicContact CB-CD1 4.19Å |
| 712 | S | 94.2 | Very high | 90.7 | Very high | 47 Ų | 47 | 66.9 Ų | 66.9 | 33% | 0.329 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66 | -48.5 | 175.9 | -168.1 | 0 | 0 | 0 | 0 | 111.2 | L708 Q709 W714 F715 D716 | L708-S712 VanDerWaalsContact O-CB 3.27Å; L708-S712 WeakPolarHBondContact O-CB 3.43Å; L708-S712 PolarHBondContact O-N 2.85Å; Q709-S712 PolarHBondContact O-N 2.87Å; S712-W714 VanDerWaalsContact C-N 3.27Å; S712-W714 PolarHBondContact O-N 2.87Å; S712-F715 WeakPolarHBondContact O-CB 3.36Å; S712-F715 PolarHBondContact O-N 3.12Å; S712-F715 VanDerWaalsContact O-N 3.09Å; S712-D716 VanDerWaalsContact O-CG 3.3Å; S712-D716 PolarHBondContact O-N 3.42Å |
| 713 | S | 94.5 | Very high | 90.4 | Very high | 61 Ų | 61 | 65.9 Ų | 65.9 | 43% | 0.427 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.3 | -42.6 | 175.6 | -171.4 | 0 | 0 | 0 | 0 | 111.3 | Q709 D716 E717 | Q709-S713 WeakPolarHBondContact O-CB 3.49Å; Q709-S713 PolarHBondContact O-N 3.07Å; S713-D716 PolarHBondContact O-N 3.44Å; S713-E717 WeakPolarHBondContact O-CG 3.22Å; S713-E717 PolarHBondContact O-N 2.83Å; S713-E717 VanDerWaalsContact O-N 3.09Å |
| 714 | W | 92.7 | Very high | 90.2 | Very high | 31 Ų | 31 | 65.1 Ų | 65.1 | 12% | 0.117 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.9 | -40.5 | 175.4 | 175.8 | 85 | 0 | 0 | 0 | 112.5 | L677 T710 A711 S712 D716 E717 Q718 D726 Y727 R730 | L677-W714 HydrophobicContact CD2-CZ3 4.07Å; T710-W714 WeakPolarHBondContact O-CB 3.44Å; T710-W714 PolarHBondContact O-N 2.89Å; A711-W714 PolarHBondContact O-N 2.99Å; S712-W714 VanDerWaalsContact C-N 3.27Å; S712-W714 PolarHBondContact O-N 2.87Å; W714-D716 VanDerWaalsContact C-N 3.35Å; W714-E717 PolarHBondContact O-N 3.01Å; W714-Q718 HydrophobicContact CD2-CG 3.85Å; W714-Q718 HydrophobicContact CG-CG 4.21Å; W714-Q718 HydrophobicContact CH2-CB 4.49Å; W714-Q718 HydrophobicContact CH2-CG 4.34Å; W714-Q718 HydrophobicContact CZ2-CB 4.22Å; W714-Q718 HydrophobicContact CZ2-CG 3.61Å; W714-Q718 VanDerWaalsContact NE1-CG 3.27Å; W714-Q718 WeakPolarHBondContact O-CB 3.32Å; W714-Q718 WeakPolarHBondContact O-CG 3.38Å; W714-Q718 PolarHBondContact O-N 2.9Å; W714-D726 HydrophobicContact CH2-CB 3.91Å; W714-D726 HydrophobicContact CZ2-CB 3.64Å; W714-Y727 AromaticContact CH2-CD1 3.95Å; W714-Y727 HydrophobicContact CH2-CD1 3.95Å; W714-Y727 HydrophobicContact CH2-CD2 4.32Å; W714-Y727 AromaticContact CH2-CE1 3.82Å; W714-Y727 HydrophobicContact CH2-CE1 3.82Å; W714-Y727 HydrophobicContact CH2-CE2 4.22Å; W714-Y727 HydrophobicContact CH2-CG 4.19Å; W714-Y727 AromaticContact CH2-CZ 3.97Å; W714-Y727 AromaticContact CZ3-CD1 3.83Å; W714-Y727 HydrophobicContact CZ3-CD1 3.83Å; W714-Y727 AromaticContact CZ3-CE1 3.75Å; W714-Y727 HydrophobicContact CZ3-CE1 3.75Å; W714-Y727 HydrophobicContact CZ3-CG 4.45Å; W714-R730 VanDerWaalsContact CE2-NH2 3.29Å; W714-R730 VanDerWaalsContact CG-CZ 3.49Å |
| 715 | F | 92.7 | Very high | 90.2 | Very high | 24 Ų | 24 | 69.7 Ų | 69.7 | 11% | 0.105 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 178.2 | -176.7 | -94.6 | 0 | 0 | 0 | 111.2 | I674 L677 E678 L681 A711 S712 E717 G719 Y727 | I674-F715 HydrophobicContact CG2-CE2 3.99Å; I674-F715 HydrophobicContact CG2-CZ 4.2Å; L677-F715 HydrophobicContact CD2-CD2 4.06Å; E678-F715 HydrophobicContact CB-CE2 4.49Å; E678-F715 HydrophobicContact CB-CZ 4.05Å; E678-F715 HydrophobicContact CG-CZ 4.35Å; L681-F715 HydrophobicContact CD1-CB 4.18Å; L681-F715 HydrophobicContact CD1-CG 4.29Å; A711-F715 VanDerWaalsContact O-CB 3.3Å; A711-F715 WeakPolarHBondContact O-CB 3.38Å; A711-F715 PolarHBondContact O-N 2.87Å; S712-F715 WeakPolarHBondContact O-CB 3.36Å; S712-F715 PolarHBondContact O-N 3.12Å; S712-F715 VanDerWaalsContact O-N 3.09Å; F715-E717 VanDerWaalsContact C-N 3.31Å; F715-E717 PolarHBondContact O-N 3.19Å; F715-G719 WeakPolarHBondContact O-CA 3.44Å; F715-G719 PolarHBondContact O-N 3.26Å; F715-Y727 HydrophobicContact CD2-CE1 4.18Å; F715-Y727 HydrophobicContact CE2-CE1 4.23Å |
| 716 | D | 90.2 | Very high | 90.1 | Very high | 124 Ų | 124 | 69.9 Ų | 69.9 | 66% | 0.663 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -65.2 | -34.3 | 176.3 | -66.1 | -27.1 | 0 | 0 | 0 | 112.3 | S712 S713 W714 | S712-D716 VanDerWaalsContact O-CG 3.3Å; S712-D716 PolarHBondContact O-N 3.42Å; S713-D716 PolarHBondContact O-N 3.44Å; W714-D716 VanDerWaalsContact C-N 3.35Å |
| 717 | E | 89.6 | Confident | 90.1 | Very high | 144 Ų | 144 | 66.4 Ų | 66.4 | 67% | 0.673 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -75.9 | -42.4 | 177.2 | -75.8 | 176.7 | -170.4 | 0 | 0 | 113.6 | S713 W714 F715 | S713-E717 WeakPolarHBondContact O-CG 3.22Å; S713-E717 PolarHBondContact O-N 2.83Å; S713-E717 VanDerWaalsContact O-N 3.09Å; W714-E717 PolarHBondContact O-N 3.01Å; F715-E717 VanDerWaalsContact C-N 3.31Å; F715-E717 PolarHBondContact O-N 3.19Å |
| 718 | Q | 84.6 | Confident | 90 | Very high | 88 Ų | 88 | 67.5 Ų | 67.5 | 41% | 0.411 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -84.5 | -31.1 | -177.8 | -65.1 | -58.7 | -40.9 | 0 | 0 | 113.4 | W714 H720 | W714-Q718 HydrophobicContact CD2-CG 3.85Å; W714-Q718 HydrophobicContact CG-CG 4.21Å; W714-Q718 HydrophobicContact CH2-CB 4.49Å; W714-Q718 HydrophobicContact CH2-CG 4.34Å; W714-Q718 HydrophobicContact CZ2-CB 4.22Å; W714-Q718 HydrophobicContact CZ2-CG 3.61Å; W714-Q718 VanDerWaalsContact NE1-CG 3.27Å; W714-Q718 WeakPolarHBondContact O-CB 3.32Å; W714-Q718 WeakPolarHBondContact O-CG 3.38Å; W714-Q718 PolarHBondContact O-N 2.9Å; Q718-H720 PolarHBondContact O-N 3.37Å |
| 719 | G | 76.4 | Confident | 90 | Very high | 23 Ų | 23 | 71.2 Ų | 71.2 | 24% | 0.237 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | -131.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | F715 Y727 | F715-G719 WeakPolarHBondContact O-CA 3.44Å; F715-G719 PolarHBondContact O-N 3.26Å; G719-Y727 PolarHBondContact O-OH 3.22Å |
| 720 | H | 79.1 | Confident | 90 | Very high | 109 Ų | 109 | 68.3 Ų | 68.3 | 51% | 0.505 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 4.2 | -173.4 | -67.1 | -95 | 0 | 0 | 0 | 114.5 | I674 Q718 | I674-H720 HydrophobicContact CD1-CB 4.22Å; Q718-H720 PolarHBondContact O-N 3.37Å |
| 721 | D | 74.4 | Confident | 90.1 | Very high | 154 Ų | 154 | 64 Ų | 64 | 82% | 0.824 | 34% | 0.336 | S | S | * | . | trans | -103.4 | 10.4 | -170.5 | -64.9 | -40 | 0 | 0 | 0 | 113.6 | ||||
| 722 | G | 82.2 | Confident | 90.2 | Very high | 11 Ų | 11 | 70.2 Ų | 70.2 | 11% | 0.113 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -79.2 | 172.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | L670 Y727 | L670-G722 WeakPolarHBondContact CD1-O 3.36Å; G722-Y727 PolarHBondContact N-OH 2.81Å |
| 723 | L | 88.5 | Confident | 90.4 | Very high | 124 Ų | 124 | 72.2 Ų | 72.2 | 65% | 0.649 | 37% | 0.366 | S | S | * | . | trans | -78.9 | 137.6 | 172.1 | -62.5 | 173.5 | 0 | 0 | 0 | 110.4 | N725 D726 Y727 | L723-N725 PolarHBondContact O-N 2.96Å; L723-D726 WeakPolarHBondContact O-CB 3.46Å; L723-D726 PolarHBondContact O-N 2.73Å; L723-Y727 VanDerWaalsContact O-CD2 3.27Å; L723-Y727 WeakPolarHBondContact O-CD2 3.45Å | ||
| 724 | K | 91.5 | Very high | 90.5 | Very high | 78 Ų | 78 | 69.3 Ų | 69.3 | 34% | 0.339 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -48.6 | -42.9 | 179.5 | -175.4 | -169 | 179.6 | -48.9 | 0 | 112.9 | A669 L670 S673 D726 Y727 D728 | A669-K724 HydrophobicContact CB-CD 4.08Å; L670-K724 HydrophobicContact CB-CB 4.47Å; L670-K724 HydrophobicContact CD1-CB 4.13Å; S673-K724 WeakPolarHBondContact OG-CE 3.36Å; S673-K724 WeakPolarHBondContact OG-CG 3.34Å; S673-K724 PolarHBondContact OG-NZ 2.86Å; K724-D726 PolarHBondContact O-N 2.84Å; K724-Y727 PolarHBondContact O-N 2.86Å; K724-D728 IonicContact NZ-OD1 2.69Å; K724-D728 PolarHBondContact NZ-OD1 2.88Å; K724-D728 IonicContact NZ-OD2 2.72Å; K724-D728 PolarHBondContact NZ-OD2 2.75Å; K724-D728 PolarHBondContact O-N 2.67Å |
| 725 | N | 94.1 | Very high | 90.7 | Very high | 96 Ų | 96 | 71 Ų | 71 | 51% | 0.513 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.1 | -30.9 | -178.4 | -173.8 | 68.7 | 0 | 0 | 0 | 112.8 | L723 D728 I729 | L723-N725 PolarHBondContact O-N 2.96Å; N725-D728 PolarHBondContact O-N 2.95Å; N725-I729 WeakPolarHBondContact ND2-CD1 3.32Å; N725-I729 VanDerWaalsContact O-CG1 3.26Å; N725-I729 WeakPolarHBondContact O-CG1 3.08Å; N725-I729 PolarHBondContact O-N 2.89Å |
| 726 | D | 93.6 | Very high | 90.9 | Very high | 52 Ų | 52 | 73.2 Ų | 73.2 | 28% | 0.278 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -70.7 | -34.2 | 179.4 | -60.8 | -28.8 | 0 | 0 | 0 | 111.9 | W714 L723 K724 R730 | W714-D726 HydrophobicContact CH2-CB 3.91Å; W714-D726 HydrophobicContact CZ2-CB 3.64Å; L723-D726 WeakPolarHBondContact O-CB 3.46Å; L723-D726 PolarHBondContact O-N 2.73Å; K724-D726 PolarHBondContact O-N 2.84Å; D726-R730 PolarHBondContact O-NH1 3.3Å |
| 727 | Y | 95.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -70 | -46 | 170.6 | -60.2 | -89 | 0 | 0 | 0 | 110.6 | L670 I674 L677 W714 F715 G719 G722 L723 K724 I729 R730 I731 | L670-Y727 HydrophobicContact CD1-CD2 3.67Å; L670-Y727 HydrophobicContact CD1-CE2 3.53Å; I674-Y727 HydrophobicContact CB-CE1 4.45Å; I674-Y727 HydrophobicContact CD1-CE2 4.46Å; I674-Y727 HydrophobicContact CG1-CD1 3.92Å; I674-Y727 HydrophobicContact CG1-CD2 4.31Å; I674-Y727 HydrophobicContact CG1-CE1 3.59Å; I674-Y727 HydrophobicContact CG1-CE2 3.99Å; I674-Y727 HydrophobicContact CG1-CG 4.29Å; L677-Y727 HydrophobicContact CD2-CD1 3.8Å; W714-Y727 AromaticContact CH2-CD1 3.95Å; W714-Y727 HydrophobicContact CH2-CD1 3.95Å; W714-Y727 HydrophobicContact CH2-CD2 4.32Å; W714-Y727 AromaticContact CH2-CE1 3.82Å; W714-Y727 HydrophobicContact CH2-CE1 3.82Å; W714-Y727 HydrophobicContact CH2-CE2 4.22Å; W714-Y727 HydrophobicContact CH2-CG 4.19Å; W714-Y727 AromaticContact CH2-CZ 3.97Å; W714-Y727 AromaticContact CZ3-CD1 3.83Å; W714-Y727 HydrophobicContact CZ3-CD1 3.83Å; W714-Y727 AromaticContact CZ3-CE1 3.75Å; W714-Y727 HydrophobicContact CZ3-CE1 3.75Å; W714-Y727 HydrophobicContact CZ3-CG 4.45Å; F715-Y727 HydrophobicContact CD2-CE1 4.18Å; F715-Y727 HydrophobicContact CE2-CE1 4.23Å; G719-Y727 PolarHBondContact O-OH 3.22Å; G722-Y727 PolarHBondContact N-OH 2.81Å; L723-Y727 VanDerWaalsContact O-CD2 3.27Å; L723-Y727 WeakPolarHBondContact O-CD2 3.45Å; K724-Y727 PolarHBondContact O-N 2.86Å; Y727-I729 VanDerWaalsContact C-N 3.3Å; Y727-I729 PolarHBondContact O-N 2.68Å; Y727-R730 PolarHBondContact O-N 2.84Å; Y727-I731 WeakPolarHBondContact O-CD1 3.5Å; Y727-I731 VanDerWaalsContact O-CG1 3.27Å; Y727-I731 WeakPolarHBondContact O-CG1 3.35Å; Y727-I731 PolarHBondContact O-N 3.4Å |
| 728 | D | 95.2 | Very high | 91.4 | Very high | 35 Ų | 35 | 62.6 Ų | 62.6 | 19% | 0.187 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.6 | -38.9 | 179.4 | -72.8 | -18.4 | 0 | 0 | 0 | 112.7 | S673 K724 N725 K732 | S673-D728 PolarHBondContact OG-OD1 3.31Å; K724-D728 IonicContact NZ-OD1 2.69Å; K724-D728 PolarHBondContact NZ-OD1 2.88Å; K724-D728 IonicContact NZ-OD2 2.72Å; K724-D728 PolarHBondContact NZ-OD2 2.75Å; K724-D728 PolarHBondContact O-N 2.67Å; N725-D728 PolarHBondContact O-N 2.95Å; D728-K732 WeakPolarHBondContact O-CB 3.26Å; D728-K732 VanDerWaalsContact O-CG 3.25Å; D728-K732 WeakPolarHBondContact O-CG 3.35Å; D728-K732 PolarHBondContact O-N 3.13Å |
| 729 | I | 95.9 | Very high | 91.9 | Very high | 84 Ų | 84 | 63 Ų | 63 | 43% | 0.431 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.9 | -49.1 | 176.9 | -74.4 | 164.7 | 0 | 0 | 0 | 110.4 | N725 Y727 K732 E733 | N725-I729 WeakPolarHBondContact ND2-CD1 3.32Å; N725-I729 VanDerWaalsContact O-CG1 3.26Å; N725-I729 WeakPolarHBondContact O-CG1 3.08Å; N725-I729 PolarHBondContact O-N 2.89Å; Y727-I729 VanDerWaalsContact C-N 3.3Å; Y727-I729 PolarHBondContact O-N 2.68Å; I729-K732 PolarHBondContact O-N 3.11Å; I729-E733 PolarHBondContact O-N 3.14Å |
| 730 | R | 95.9 | Very high | 92.7 | Very high | 49 Ų | 49 | 64 Ų | 64 | 19% | 0.185 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68 | -40.7 | -179.1 | -72.9 | 169.7 | 176.9 | 74.2 | 3.6 | 112.3 | L677 W714 D726 Y727 K732 E733 I734 | L677-R730 HydrophobicContact CD1-CB 4.1Å; L677-R730 HydrophobicContact CD2-CB 4.27Å; W714-R730 VanDerWaalsContact CE2-NH2 3.29Å; W714-R730 VanDerWaalsContact CG-CZ 3.49Å; D726-R730 PolarHBondContact O-NH1 3.3Å; Y727-R730 PolarHBondContact O-N 2.84Å; R730-K732 VanDerWaalsContact C-N 3.3Å; R730-K732 PolarHBondContact O-N 3.27Å; R730-E733 PolarHBondContact O-N 3.24Å; R730-I734 WeakPolarHBondContact O-CG1 3.48Å; R730-I734 PolarHBondContact O-N 3.07Å |
| 731 | I | 96.6 | Very high | 93.4 | Very high | 7 Ų | 7 | 58.9 Ų | 58.9 | 4% | 0.036 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -55.4 | -49.5 | 172.8 | -71.5 | 162.2 | 0 | 0 | 0 | 109.8 | S673 L676 L677 L680 Y727 Q735 | S673-I731 WeakPolarHBondContact O-CD1 3.31Å; L676-I731 HydrophobicContact CB-CD1 4.2Å; L676-I731 HydrophobicContact CD2-CD1 4.05Å; L676-I731 HydrophobicContact CD2-CG2 4.07Å; L676-I731 HydrophobicContact CG-CD1 4.11Å; L676-I731 HydrophobicContact CG-CG1 4.49Å; L676-I731 HydrophobicContact CG-CG2 4.46Å; L677-I731 HydrophobicContact CB-CD1 4.14Å; L677-I731 HydrophobicContact CB-CG1 3.87Å; L677-I731 HydrophobicContact CD1-CG1 4.07Å; L680-I731 HydrophobicContact CD1-CB 4.3Å; L680-I731 HydrophobicContact CD1-CG1 4.14Å; L680-I731 HydrophobicContact CD1-CG2 3.79Å; Y727-I731 WeakPolarHBondContact O-CD1 3.5Å; Y727-I731 VanDerWaalsContact O-CG1 3.27Å; Y727-I731 WeakPolarHBondContact O-CG1 3.35Å; Y727-I731 PolarHBondContact O-N 3.4Å; I731-Q735 HydrophobicContact CG2-CG 4.27Å; I731-Q735 WeakPolarHBondContact O-CB 3.47Å; I731-Q735 WeakPolarHBondContact O-CG 3.45Å; I731-Q735 PolarHBondContact O-N 2.84Å |
| 732 | K | 97.6 | Very high | 94.4 | Very high | 133 Ų | 133 | 55.3 Ų | 55.3 | 58% | 0.578 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -64.1 | -40.8 | 179.6 | -74.8 | 171.2 | -176.4 | 171.4 | 0 | 112.4 | D728 I729 R730 Q735 S736 | D728-K732 WeakPolarHBondContact O-CB 3.26Å; D728-K732 VanDerWaalsContact O-CG 3.25Å; D728-K732 WeakPolarHBondContact O-CG 3.35Å; D728-K732 PolarHBondContact O-N 3.13Å; I729-K732 PolarHBondContact O-N 3.11Å; R730-K732 VanDerWaalsContact C-N 3.3Å; R730-K732 PolarHBondContact O-N 3.27Å; K732-Q735 PolarHBondContact O-N 2.91Å; K732-S736 WeakPolarHBondContact O-CB 3.36Å; K732-S736 PolarHBondContact O-N 2.97Å |
| 733 | E | 97.3 | Very high | 94.9 | Very high | 89 Ų | 89 | 60.6 Ų | 60.6 | 42% | 0.416 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.6 | -52.3 | 177.7 | -170.8 | 176.1 | -163.8 | 0 | 0 | 111 | V707 I729 R730 Q735 S736 L737 | V707-E733 HydrophobicContact CG1-CG 3.97Å; I729-E733 PolarHBondContact O-N 3.14Å; R730-E733 PolarHBondContact O-N 3.24Å; E733-Q735 PolarHBondContact O-N 3.25Å; E733-S736 PolarHBondContact O-N 3.43Å; E733-S736 PolarHBondContact O-OG 2.82Å; E733-L737 PolarHBondContact O-N 2.98Å |
| 734 | I | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.1 | -47.2 | 176.5 | -64.5 | 165.7 | 0 | 0 | 0 | 110.4 | L677 L681 T684 V707 L708 A711 R730 S736 L737 I738 | L677-I734 HydrophobicContact CD1-CD1 3.77Å; L681-I734 HydrophobicContact CD2-CD1 3.89Å; T684-I734 HydrophobicContact CG2-CG2 4.48Å; V707-I734 HydrophobicContact CG1-CG1 4.04Å; L708-I734 HydrophobicContact CD2-CD1 3.85Å; L708-I734 HydrophobicContact CD2-CG1 4.02Å; L708-I734 HydrophobicContact CD2-CG2 4.04Å; A711-I734 HydrophobicContact CB-CD1 4.19Å; R730-I734 WeakPolarHBondContact O-CG1 3.48Å; R730-I734 PolarHBondContact O-N 3.07Å; I734-S736 VanDerWaalsContact C-N 3.29Å; I734-S736 PolarHBondContact O-N 2.77Å; I734-L737 PolarHBondContact O-N 2.79Å; I734-L737 VanDerWaalsContact O-N 3.13Å; I734-I738 HydrophobicContact CG2-CG2 4.25Å; I734-I738 WeakPolarHBondContact O-CG2 3.13Å; I734-I738 PolarHBondContact O-N 2.79Å |
| 735 | Q | 96.9 | Very high | 95.2 | Very high | 68 Ų | 68 | 51.9 Ų | 51.9 | 32% | 0.318 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57.7 | -41.7 | 178.4 | -78.6 | 177.3 | -14.1 | 0 | 0 | 112 | L680 I731 K732 E733 L737 I738 I739 | L680-Q735 HydrophobicContact CD1-CG 4.23Å; I731-Q735 HydrophobicContact CG2-CG 4.27Å; I731-Q735 WeakPolarHBondContact O-CB 3.47Å; I731-Q735 WeakPolarHBondContact O-CG 3.45Å; I731-Q735 PolarHBondContact O-N 2.84Å; K732-Q735 PolarHBondContact O-N 2.91Å; E733-Q735 PolarHBondContact O-N 3.25Å; Q735-L737 PolarHBondContact O-N 2.72Å; Q735-I738 HydrophobicContact CG-CD1 4.43Å; Q735-I738 WeakPolarHBondContact O-CG1 3.48Å; Q735-I738 PolarHBondContact O-N 2.84Å; Q735-I739 HydrophobicContact CB-CD1 4.33Å; Q735-I739 WeakPolarHBondContact O-CB 3.28Å; Q735-I739 VanDerWaalsContact O-CD1 3.29Å; Q735-I739 WeakPolarHBondContact O-CD1 3.27Å; Q735-I739 WeakPolarHBondContact O-CG1 3.38Å; Q735-I739 PolarHBondContact O-N 3.06Å |
| 736 | S | 97.1 | Very high | 95.1 | Very high | 69 Ų | 69 | 50.5 Ų | 50.5 | 48% | 0.483 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.7 | -30.4 | 179.7 | 77.1 | 0 | 0 | 0 | 0 | 113.1 | K732 E733 I734 P740 | K732-S736 WeakPolarHBondContact O-CB 3.36Å; K732-S736 PolarHBondContact O-N 2.97Å; E733-S736 PolarHBondContact O-N 3.43Å; E733-S736 PolarHBondContact O-OG 2.82Å; I734-S736 VanDerWaalsContact C-N 3.29Å; I734-S736 PolarHBondContact O-N 2.77Å; S736-P740 VanDerWaalsContact O-CD 3.25Å; S736-P740 WeakPolarHBondContact O-CD 3.35Å |
| 737 | L | 95.5 | Very high | 95.1 | Very high | 40 Ų | 40 | 49.7 Ų | 49.7 | 21% | 0.209 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -85.5 | -34.7 | 179.2 | -63.5 | -179.7 | 0 | 0 | 0 | 113 | L704 V707 E733 I734 Q735 | L704-L737 HydrophobicContact CB-CD1 4.46Å; L704-L737 HydrophobicContact CD1-CB 3.75Å; L704-L737 HydrophobicContact CD1-CD1 4.06Å; V707-L737 HydrophobicContact CB-CD1 4.13Å; V707-L737 HydrophobicContact CG1-CD1 4.33Å; V707-L737 HydrophobicContact CG2-CD1 3.87Å; E733-L737 PolarHBondContact O-N 2.98Å; I734-L737 PolarHBondContact O-N 2.79Å; I734-L737 VanDerWaalsContact O-N 3.13Å; Q735-L737 PolarHBondContact O-N 2.72Å |
| 738 | I | 94.4 | Very high | 94.9 | Very high | 5 Ų | 5 | 51.6 Ų | 51.6 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -81.5 | -30.6 | -179.2 | 68.3 | -176.5 | 0 | 0 | 0 | 113 | L680 T684 Y692 L704 I734 Q735 I741 Q742 | L680-I738 HydrophobicContact CD2-CD1 4.2Å; T684-I738 HydrophobicContact CG2-CG2 3.7Å; Y692-I738 HydrophobicContact CE2-CB 4.49Å; Y692-I738 HydrophobicContact CE2-CG2 4.08Å; L704-I738 HydrophobicContact CD1-CG2 3.87Å; L704-I738 HydrophobicContact CD2-CG2 4.02Å; I734-I738 HydrophobicContact CG2-CG2 4.25Å; I734-I738 WeakPolarHBondContact O-CG2 3.13Å; I734-I738 PolarHBondContact O-N 2.79Å; Q735-I738 HydrophobicContact CG-CD1 4.43Å; Q735-I738 WeakPolarHBondContact O-CG1 3.48Å; Q735-I738 PolarHBondContact O-N 2.84Å; I738-I741 PolarHBondContact O-N 3.22Å; I738-I741 VanDerWaalsContact O-N 3.16Å; I738-Q742 WeakPolarHBondContact O-CB 3.47Å; I738-Q742 WeakPolarHBondContact O-CG 3.27Å; I738-Q742 PolarHBondContact O-N 2.97Å |
| 739 | I | 94.9 | Very high | 94.6 | Very high | 97 Ų | 97 | 55.5 Ų | 55.5 | 50% | 0.497 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -55.6 | -47.5 | -176.3 | -77.4 | 163.4 | 0 | 0 | 0 | 111.7 | Q735 I741 Q742 R743 | Q735-I739 HydrophobicContact CB-CD1 4.33Å; Q735-I739 WeakPolarHBondContact O-CB 3.28Å; Q735-I739 VanDerWaalsContact O-CD1 3.29Å; Q735-I739 WeakPolarHBondContact O-CD1 3.27Å; Q735-I739 WeakPolarHBondContact O-CG1 3.38Å; Q735-I739 PolarHBondContact O-N 3.06Å; I739-I741 PolarHBondContact O-N 3.01Å; I739-Q742 PolarHBondContact O-N 3.29Å; I739-R743 WeakPolarHBondContact O-CB 3.5Å; I739-R743 PolarHBondContact O-N 3.4Å |
| 740 | P | 94.5 | Very high | 94.5 | Very high | 45 Ų | 45 | 56.4 Ų | 56.4 | 29% | 0.292 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.9 | -45.1 | 176.6 | -25.4 | 34.9 | 0 | 0 | 0 | 113.1 | S736 R743 R744 | S736-P740 VanDerWaalsContact O-CD 3.25Å; S736-P740 WeakPolarHBondContact O-CD 3.35Å; P740-R743 WeakPolarHBondContact O-CB 3.46Å; P740-R743 PolarHBondContact O-N 2.97Å; P740-R744 WeakPolarHBondContact O-CG 3.2Å; P740-R744 PolarHBondContact O-N 2.71Å |
| 741 | I | 94.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.9 | -45.7 | -179.9 | -57.2 | 173.8 | 0 | 0 | 0 | 110.6 | Y692 L701 L704 I738 I739 R743 R744 S745 | Y692-I741 HydrophobicContact CD1-CB 4.41Å; Y692-I741 HydrophobicContact CD1-CG2 3.48Å; Y692-I741 VanDerWaalsContact CD1-CG2 3.48Å; Y692-I741 HydrophobicContact CE1-CG2 4.21Å; Y692-I741 HydrophobicContact CG-CG2 3.85Å; L701-I741 HydrophobicContact CD2-CD1 4.25Å; L704-I741 HydrophobicContact CD2-CD1 4.3Å; I738-I741 PolarHBondContact O-N 3.22Å; I738-I741 VanDerWaalsContact O-N 3.16Å; I739-I741 PolarHBondContact O-N 3.01Å; I741-R743 VanDerWaalsContact C-N 3.32Å; I741-R743 PolarHBondContact O-N 3.23Å; I741-R744 PolarHBondContact O-N 2.97Å; I741-S745 PolarHBondContact O-N 3.47Å |
| 742 | Q | 93.4 | Very high | 94.1 | Very high | 79 Ų | 79 | 58.6 Ų | 58.6 | 37% | 0.369 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.9 | -37.1 | 176.9 | -72.7 | 178.7 | -15.7 | 0 | 0 | 112.1 | Y692 I738 I739 S745 T746 | Y692-Q742 HydrophobicContact CE1-CG 3.83Å; Y692-Q742 PolarHBondContact OH-NE2 3.39Å; I738-Q742 WeakPolarHBondContact O-CB 3.47Å; I738-Q742 WeakPolarHBondContact O-CG 3.27Å; I738-Q742 PolarHBondContact O-N 2.97Å; I739-Q742 PolarHBondContact O-N 3.29Å; Q742-S745 WeakPolarHBondContact O-CB 3.12Å; Q742-S745 PolarHBondContact O-N 2.96Å; Q742-T746 WeakPolarHBondContact O-CB 3.17Å; Q742-T746 PolarHBondContact O-N 3.37Å; Q742-T746 PolarHBondContact O-OG1 2.87Å |
| 743 | R | 94 | Very high | 93.9 | Very high | 121 Ų | 121 | 60 Ų | 60 | 46% | 0.457 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.7 | -49.3 | 174 | -169.1 | -176.2 | 78.7 | 172.3 | 5 | 110.7 | I739 P740 I741 S745 T746 E747 D847 | I739-R743 WeakPolarHBondContact O-CB 3.5Å; I739-R743 PolarHBondContact O-N 3.4Å; P740-R743 WeakPolarHBondContact O-CB 3.46Å; P740-R743 PolarHBondContact O-N 2.97Å; I741-R743 VanDerWaalsContact C-N 3.32Å; I741-R743 PolarHBondContact O-N 3.23Å; R743-S745 VanDerWaalsContact C-N 3.34Å; R743-S745 PolarHBondContact O-N 2.88Å; R743-T746 PolarHBondContact O-N 2.88Å; R743-E747 WeakPolarHBondContact O-CB 3.05Å; R743-E747 WeakPolarHBondContact O-CG 3.47Å; R743-E747 PolarHBondContact O-N 2.83Å; R743-D847 IonicContact CZ-OD1 3.32Å; R743-D847 IonicContact CZ-OD2 3.84Å; R743-D847 IonicContact NE-OD1 2.8Å; R743-D847 IonicContact NH2-OD1 2.95Å; R743-D847 PolarHBondContact NH2-OD1 2.83Å; R743-D847 IonicContact NH2-OD2 2.89Å; R743-D847 PolarHBondContact NH2-OD2 3.45Å |
| 744 | R | 94.4 | Very high | 93.8 | Very high | 11 Ų | 11 | 56 Ų | 56 | 4% | 0.042 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.2 | -44.2 | 176.6 | -68.6 | -173.1 | -65.1 | -124.8 | 7.3 | 111.7 | Y695 E700 P740 I741 T746 E747 I748 Y845 E846 | Y695-R744 VanDerWaalsContact O-CZ 3.23Å; Y695-R744 PolarHBondContact O-NE 3.04Å; Y695-R744 PolarHBondContact O-NH2 3.39Å; E700-R744 IonicContact OE1-CZ 2.66Å; E700-R744 IonicContact OE1-NH1 3.51Å; E700-R744 PolarHBondContact OE1-NH1 2.89Å; E700-R744 IonicContact OE1-NH2 2.91Å; E700-R744 PolarHBondContact OE1-NH2 3.35Å; E700-R744 IonicContact OE2-CZ 3.39Å; E700-R744 IonicContact OE2-NH1 2.63Å; E700-R744 IonicContact OE2-NH2 2.96Å; E700-R744 PolarHBondContact OE2-NH2 3.03Å; P740-R744 WeakPolarHBondContact O-CG 3.2Å; P740-R744 PolarHBondContact O-N 2.71Å; I741-R744 PolarHBondContact O-N 2.97Å; R744-T746 PolarHBondContact O-N 3.05Å; R744-E747 PolarHBondContact O-N 2.86Å; R744-I748 WeakPolarHBondContact O-CG1 3.44Å; R744-I748 PolarHBondContact O-N 3.33Å; R744-Y845 PolarHBondContact NE-O 3.34Å; R744-Y845 PolarHBondContact NH1-O 2.9Å; R744-E846 VanDerWaalsContact CD-C 3.41Å; R744-E846 WeakPolarHBondContact CD-O 3.32Å |
| 745 | S | 91.4 | Very high | 93.7 | Very high | 8 Ų | 8 | 57.1 Ų | 57.1 | 6% | 0.056 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.5 | -48.3 | 174.9 | -168.5 | 0 | 0 | 0 | 0 | 112.5 | Y695 I741 Q742 R743 I748 K749 | Y695-S745 VanDerWaalsContact CD2-CB 3.47Å; Y695-S745 WeakPolarHBondContact CD2-OG 3.21Å; Y695-S745 WeakPolarHBondContact CE2-OG 3.3Å; I741-S745 PolarHBondContact O-N 3.47Å; Q742-S745 WeakPolarHBondContact O-CB 3.12Å; Q742-S745 PolarHBondContact O-N 2.96Å; R743-S745 VanDerWaalsContact C-N 3.34Å; R743-S745 PolarHBondContact O-N 2.88Å; S745-I748 PolarHBondContact O-N 3.17Å; S745-K749 WeakPolarHBondContact O-CB 3.17Å; S745-K749 VanDerWaalsContact O-CG 3.31Å; S745-K749 WeakPolarHBondContact O-CG 3.41Å; S745-K749 PolarHBondContact O-N 3.1Å |
| 746 | T | 92.3 | Very high | 93.6 | Very high | 68 Ų | 68 | 58.5 Ų | 58.5 | 42% | 0.417 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.7 | -45.3 | -180 | -59.7 | 0 | 0 | 0 | 0 | 111.5 | Q742 R743 R744 I748 K749 H750 | Q742-T746 WeakPolarHBondContact O-CB 3.17Å; Q742-T746 PolarHBondContact O-N 3.37Å; Q742-T746 PolarHBondContact O-OG1 2.87Å; R743-T746 PolarHBondContact O-N 2.88Å; R744-T746 PolarHBondContact O-N 3.05Å; T746-I748 PolarHBondContact O-N 3.02Å; T746-K749 PolarHBondContact O-N 3.22Å; T746-H750 VanDerWaalsContact CG2-CD2 3.47Å; T746-H750 WeakPolarHBondContact CG2-CD2 3.33Å; T746-H750 PolarHBondContact O-CD2 3.47Å; T746-H750 PolarHBondContact O-N 3.46Å |
| 747 | E | 94.1 | Very high | 93.6 | Very high | 35 Ų | 35 | 57.5 Ų | 57.5 | 16% | 0.164 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.2 | -45.8 | 175.7 | -78.8 | -67.9 | 157.3 | 0 | 0 | 111.7 | R743 R744 H750 R751 P848 L851 V852 | R743-E747 WeakPolarHBondContact O-CB 3.05Å; R743-E747 WeakPolarHBondContact O-CG 3.47Å; R743-E747 PolarHBondContact O-N 2.83Å; R744-E747 PolarHBondContact O-N 2.86Å; E747-H750 PolarHBondContact O-N 2.85Å; E747-R751 WeakPolarHBondContact O-CB 3.41Å; E747-R751 PolarHBondContact O-N 2.9Å; E747-P848 HydrophobicContact CB-CG 3.97Å; E747-P848 HydrophobicContact CG-CG 4.19Å; E747-L851 HydrophobicContact CG-CD2 4.43Å; E747-V852 WeakPolarHBondContact O-CG2 3.4Å; E747-V852 WeakPolarHBondContact OE2-CB 3.31Å; E747-V852 VanDerWaalsContact OE2-CG2 3.24Å; E747-V852 WeakPolarHBondContact OE2-CG2 3.29Å; E747-V852 PolarHBondContact OE2-N 3.11Å |
| 748 | I | 90.5 | Very high | 93.7 | Very high | 39 Ų | 39 | 55.6 Ų | 55.6 | 20% | 0.2 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.1 | -44 | 178.9 | -69 | 162.7 | 0 | 0 | 0 | 111.5 | Y695 R744 S745 T746 H750 R751 T844 | Y695-I748 HydrophobicContact CD1-CD1 3.52Å; Y695-I748 HydrophobicContact CE1-CB 4.19Å; Y695-I748 HydrophobicContact CE1-CD1 3.59Å; Y695-I748 HydrophobicContact CE1-CG1 4.5Å; Y695-I748 HydrophobicContact CE1-CG2 4.19Å; R744-I748 WeakPolarHBondContact O-CG1 3.44Å; R744-I748 PolarHBondContact O-N 3.33Å; S745-I748 PolarHBondContact O-N 3.17Å; T746-I748 PolarHBondContact O-N 3.02Å; I748-H750 VanDerWaalsContact C-N 3.3Å; I748-H750 PolarHBondContact O-N 2.88Å; I748-R751 WeakPolarHBondContact O-CB 3.43Å; I748-R751 PolarHBondContact O-N 3.17Å; I748-T844 HydrophobicContact CD1-CG2 4.01Å |
| 749 | K | 89.5 | Confident | 93.8 | Very high | 118 Ų | 118 | 58.8 Ų | 58.8 | 51% | 0.513 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.5 | -36.9 | 178.5 | -75.2 | 173.8 | -178.3 | 172.7 | 0 | 112 | D691 S745 T746 | D691-K749 IonicContact OD2-NZ 3.96Å; D691-K749 PolarHBondContact OD2-NZ 3.19Å; S745-K749 WeakPolarHBondContact O-CB 3.17Å; S745-K749 VanDerWaalsContact O-CG 3.31Å; S745-K749 WeakPolarHBondContact O-CG 3.41Å; S745-K749 PolarHBondContact O-N 3.1Å; T746-K749 PolarHBondContact O-N 3.22Å |
| 750 | H | 93.5 | Very high | 93.9 | Very high | 103 Ų | 103 | 60.1 Ų | 60.1 | 48% | 0.477 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -86.6 | -17.6 | 179.3 | -67.5 | -51.9 | 0 | 0 | 0 | 114.4 | T746 E747 I748 A752 K753 A754 V852 | T746-H750 VanDerWaalsContact CG2-CD2 3.47Å; T746-H750 WeakPolarHBondContact CG2-CD2 3.33Å; T746-H750 PolarHBondContact O-CD2 3.47Å; T746-H750 PolarHBondContact O-N 3.46Å; E747-H750 PolarHBondContact O-N 2.85Å; I748-H750 VanDerWaalsContact C-N 3.3Å; I748-H750 PolarHBondContact O-N 2.88Å; H750-A752 PolarHBondContact O-N 3.11Å; H750-K753 PolarHBondContact O-N 3.18Å; H750-A754 PolarHBondContact O-N 3.31Å; H750-A754 VanDerWaalsContact O-N 3.11Å; H750-V852 HydrophobicContact CB-CG1 4.43Å; H750-V852 HydrophobicContact CB-CG2 4.11Å |
| 751 | R | 93.9 | Very high | 94 | Very high | 33 Ų | 33 | 58.6 Ų | 58.6 | 13% | 0.125 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -51.5 | -52.5 | 179.4 | -171.9 | -168.8 | -63.6 | -176.1 | -5 | 113.3 | E747 I748 K753 A754 I755 L839 V852 | E747-R751 WeakPolarHBondContact O-CB 3.41Å; E747-R751 PolarHBondContact O-N 2.9Å; I748-R751 WeakPolarHBondContact O-CB 3.43Å; I748-R751 PolarHBondContact O-N 3.17Å; R751-K753 VanDerWaalsContact C-N 3.27Å; R751-K753 PolarHBondContact O-N 3.4Å; R751-A754 WeakPolarHBondContact O-CB 3.48Å; R751-A754 PolarHBondContact O-N 2.91Å; R751-A754 VanDerWaalsContact O-N 3.09Å; R751-I755 HydrophobicContact CG-CD1 3.79Å; R751-I755 HydrophobicContact CG-CG1 4.42Å; R751-I755 WeakPolarHBondContact O-CG1 3.46Å; R751-I755 PolarHBondContact O-N 3.18Å; R751-L839 HydrophobicContact CG-CD1 4.33Å; R751-L839 PolarHBondContact NH1-O 3.27Å; R751-V852 HydrophobicContact CB-CG2 4.49Å |
| 752 | A | 90.6 | Very high | 94.2 | Very high | 69 Ų | 69 | 59.3 Ų | 59.3 | 57% | 0.57 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -60.3 | -38.9 | -176 | 0 | 0 | 0 | 0 | 0 | 112.3 | H750 L756 | H750-A752 PolarHBondContact O-N 3.11Å; A752-L756 VanDerWaalsContact O-CB 3.28Å; A752-L756 WeakPolarHBondContact O-CB 3.42Å; A752-L756 PolarHBondContact O-N 2.9Å |
| 753 | K | 93.3 | Very high | 94.3 | Very high | 161 Ų | 161 | 62 Ų | 62 | 70% | 0.7 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -66.9 | -40.7 | 176.7 | -172.6 | 178.4 | 178 | -178.1 | 0 | 111.6 | H750 R751 S757 | H750-K753 PolarHBondContact O-N 3.18Å; R751-K753 VanDerWaalsContact C-N 3.27Å; R751-K753 PolarHBondContact O-N 3.4Å; K753-S757 WeakPolarHBondContact O-CB 3.44Å; K753-S757 PolarHBondContact O-N 2.95Å |
| 754 | A | 94.6 | Very high | 94.4 | Very high | 6 Ų | 6 | 60.2 Ų | 60.2 | 5% | 0.05 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.9 | -45.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | H750 R751 L756 S757 F758 V852 I855 | H750-A754 PolarHBondContact O-N 3.31Å; H750-A754 VanDerWaalsContact O-N 3.11Å; R751-A754 WeakPolarHBondContact O-CB 3.48Å; R751-A754 PolarHBondContact O-N 2.91Å; R751-A754 VanDerWaalsContact O-N 3.09Å; A754-L756 PolarHBondContact O-N 3.4Å; A754-S757 WeakPolarHBondContact O-CB 3.28Å; A754-S757 PolarHBondContact O-N 2.82Å; A754-F758 PolarHBondContact O-N 2.82Å; A754-V852 HydrophobicContact CB-CG1 3.97Å; A754-I855 HydrophobicContact CB-CB 4.37Å; A754-I855 HydrophobicContact CB-CD1 4.5Å; A754-I855 HydrophobicContact CB-CG2 4.01Å |
| 755 | I | 94.9 | Very high | 94.5 | Very high | 23 Ų | 23 | 59.7 Ų | 59.7 | 12% | 0.118 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 176.9 | -66.5 | 172.6 | 0 | 0 | 0 | 111 | R751 S757 F758 N759 L832 T836 I855 | R751-I755 HydrophobicContact CG-CD1 3.79Å; R751-I755 HydrophobicContact CG-CG1 4.42Å; R751-I755 WeakPolarHBondContact O-CG1 3.46Å; R751-I755 PolarHBondContact O-N 3.18Å; I755-S757 VanDerWaalsContact C-N 3.34Å; I755-S757 PolarHBondContact O-N 2.99Å; I755-F758 PolarHBondContact O-N 3.31Å; I755-N759 PolarHBondContact O-N 2.97Å; I755-N759 PolarHBondContact O-ND2 2.83Å; I755-L832 HydrophobicContact CG1-CD1 4.28Å; I755-L832 HydrophobicContact CG2-CD1 4.33Å; I755-T836 HydrophobicContact CD1-CG2 4.17Å; I755-I855 HydrophobicContact CG1-CD1 4.19Å |
| 756 | L | 95.1 | Very high | 94.7 | Very high | 98 Ų | 98 | 63 Ų | 63 | 51% | 0.513 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.8 | -39.1 | 177.9 | -177.4 | 135.7 | 0 | 0 | 0 | 112.2 | A752 A754 K760 | A752-L756 VanDerWaalsContact O-CB 3.28Å; A752-L756 WeakPolarHBondContact O-CB 3.42Å; A752-L756 PolarHBondContact O-N 2.9Å; A754-L756 PolarHBondContact O-N 3.4Å; L756-K760 HydrophobicContact CD2-CD 4.23Å; L756-K760 WeakPolarHBondContact O-CG 3.36Å; L756-K760 PolarHBondContact O-N 2.87Å; L756-K760 VanDerWaalsContact O-N 3.17Å |
| 757 | S | 96 | Very high | 94.9 | Very high | 47 Ų | 47 | 65.8 Ų | 65.8 | 33% | 0.329 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.1 | -48.3 | 173 | -163.2 | 0 | 0 | 0 | 0 | 111.1 | K753 A754 I755 N759 K760 T761 E859 | K753-S757 WeakPolarHBondContact O-CB 3.44Å; K753-S757 PolarHBondContact O-N 2.95Å; A754-S757 WeakPolarHBondContact O-CB 3.28Å; A754-S757 PolarHBondContact O-N 2.82Å; I755-S757 VanDerWaalsContact C-N 3.34Å; I755-S757 PolarHBondContact O-N 2.99Å; S757-N759 PolarHBondContact O-N 2.84Å; S757-K760 WeakPolarHBondContact O-CB 3.4Å; S757-K760 PolarHBondContact O-N 2.86Å; S757-K760 VanDerWaalsContact O-N 3.13Å; S757-T761 PolarHBondContact O-N 3.38Å; S757-T761 PolarHBondContact O-OG1 3.27Å; S757-E859 VanDerWaalsContact C-OE1 3.25Å; S757-E859 WeakPolarHBondContact CB-OE1 2.99Å; S757-E859 PolarHBondContact OG-OE1 2.98Å; S757-E859 PolarHBondContact OG-OE2 2.7Å |
| 758 | F | 97.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 64.4 Ų | 64.4 | 0% | 0.004 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.4 | -39 | -178.5 | -162.4 | -179.4 | 0 | 0 | 0 | 112.2 | A754 I755 K760 T761 I762 W831 L832 I855 K858 E859 L862 | A754-F758 PolarHBondContact O-N 2.82Å; I755-F758 PolarHBondContact O-N 3.31Å; F758-K760 VanDerWaalsContact C-N 3.34Å; F758-K760 PolarHBondContact O-N 2.97Å; F758-T761 CarbonylContact O-C 3.55Å; F758-T761 WeakPolarHBondContact O-CA 3.47Å; F758-T761 WeakPolarHBondContact O-CB 3.17Å; F758-T761 PolarHBondContact O-N 3.42Å; F758-T761 VanDerWaalsContact O-N 3.09Å; F758-I762 HydrophobicContact CD2-CD1 4.35Å; F758-I762 HydrophobicContact CD2-CG1 4.27Å; F758-I762 HydrophobicContact CE2-CD1 4.42Å; F758-I762 HydrophobicContact CE2-CG1 4.29Å; F758-I762 WeakPolarHBondContact O-CG1 3.23Å; F758-I762 PolarHBondContact O-N 3.36Å; F758-W831 HydrophobicContact CD1-CZ3 4.39Å; F758-W831 AromaticContact CE1-CE3 3.83Å; F758-W831 HydrophobicContact CE1-CE3 3.83Å; F758-W831 AromaticContact CE1-CZ3 3.79Å; F758-W831 HydrophobicContact CE1-CZ3 3.79Å; F758-L832 HydrophobicContact CB-CD2 3.96Å; F758-L832 HydrophobicContact CD1-CB 4.35Å; F758-L832 HydrophobicContact CD1-CD1 3.73Å; F758-L832 HydrophobicContact CD1-CD2 3.93Å; F758-L832 HydrophobicContact CD1-CG 4.22Å; F758-L832 HydrophobicContact CE1-CB 4.35Å; F758-L832 HydrophobicContact CE1-CD1 4.37Å; F758-L832 HydrophobicContact CG-CD1 4.46Å; F758-L832 HydrophobicContact CG-CD2 3.93Å; F758-I855 HydrophobicContact CB-CG2 4.37Å; F758-I855 HydrophobicContact CD1-CG2 3.91Å; F758-K858 HydrophobicContact CE1-CB 3.62Å; F758-K858 HydrophobicContact CZ-CB 3.81Å; F758-E859 HydrophobicContact CB-CB 4.25Å; F758-E859 HydrophobicContact CB-CG 4.41Å; F758-E859 HydrophobicContact CD1-CB 4.37Å; F758-E859 HydrophobicContact CD2-CB 3.77Å; F758-E859 HydrophobicContact CD2-CG 4.03Å; F758-E859 HydrophobicContact CE2-CB 4.19Å; F758-E859 HydrophobicContact CG-CB 3.89Å; F758-E859 HydrophobicContact CG-CG 4.35Å; F758-L862 HydrophobicContact CE2-CB 4.33Å; F758-L862 HydrophobicContact CE2-CD2 4.1Å |
| 759 | N | 97 | Very high | 95.1 | Very high | 72 Ų | 72 | 62.9 Ų | 62.9 | 39% | 0.385 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59 | -42.4 | 172.6 | -81.9 | -42.6 | 0 | 0 | 0 | 112.5 | I755 S757 T761 I762 E763 L832 | I755-N759 PolarHBondContact O-N 2.97Å; I755-N759 PolarHBondContact O-ND2 2.83Å; S757-N759 PolarHBondContact O-N 2.84Å; N759-T761 VanDerWaalsContact C-N 3.29Å; N759-T761 PolarHBondContact O-N 3.05Å; N759-I762 WeakPolarHBondContact O-CB 3.46Å; N759-I762 PolarHBondContact O-N 3.15Å; N759-I762 VanDerWaalsContact O-N 3.14Å; N759-E763 WeakPolarHBondContact O-CG 3.39Å; N759-E763 PolarHBondContact O-N 2.69Å; N759-L832 WeakPolarHBondContact OD1-CD2 3.38Å |
| 760 | K | 96.7 | Very high | 95.3 | Very high | 124 Ų | 124 | 61.5 Ų | 61.5 | 54% | 0.539 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62 | -37.7 | 173.7 | -71.8 | 175.8 | 177 | -178 | 0 | 112.1 | L756 S757 F758 I762 E763 L764 | L756-K760 HydrophobicContact CD2-CD 4.23Å; L756-K760 WeakPolarHBondContact O-CG 3.36Å; L756-K760 PolarHBondContact O-N 2.87Å; L756-K760 VanDerWaalsContact O-N 3.17Å; S757-K760 WeakPolarHBondContact O-CB 3.4Å; S757-K760 PolarHBondContact O-N 2.86Å; S757-K760 VanDerWaalsContact O-N 3.13Å; F758-K760 VanDerWaalsContact C-N 3.34Å; F758-K760 PolarHBondContact O-N 2.97Å; K760-I762 VanDerWaalsContact C-N 3.33Å; K760-E763 PolarHBondContact O-N 3.04Å; K760-L764 WeakPolarHBondContact O-CB 3.45Å; K760-L764 PolarHBondContact O-N 2.84Å |
| 761 | T | 97.2 | Very high | 95.2 | Very high | 14 Ų | 14 | 59.3 Ų | 59.3 | 9% | 0.086 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.5 | -36.4 | 174.7 | -63.3 | 0 | 0 | 0 | 0 | 111.5 | S757 F758 N759 L764 A765 E859 L862 S863 I866 | S757-T761 PolarHBondContact O-N 3.38Å; S757-T761 PolarHBondContact O-OG1 3.27Å; F758-T761 CarbonylContact O-C 3.55Å; F758-T761 WeakPolarHBondContact O-CA 3.47Å; F758-T761 WeakPolarHBondContact O-CB 3.17Å; F758-T761 PolarHBondContact O-N 3.42Å; F758-T761 VanDerWaalsContact O-N 3.09Å; N759-T761 VanDerWaalsContact C-N 3.29Å; N759-T761 PolarHBondContact O-N 3.05Å; T761-L764 PolarHBondContact O-N 3.44Å; T761-A765 PolarHBondContact O-N 2.82Å; T761-E859 HydrophobicContact CG2-CG 4.16Å; T761-E859 PolarHBondContact OG1-OE1 2.98Å; T761-L862 HydrophobicContact CG2-CB 4.26Å; T761-L862 HydrophobicContact CG2-CD2 4.03Å; T761-L862 HydrophobicContact CG2-CG 4.09Å; T761-S863 WeakPolarHBondContact CG2-OG 3.28Å; T761-I866 HydrophobicContact CG2-CD1 3.82Å; T761-I866 VanDerWaalsContact O-CD1 3.3Å; T761-I866 WeakPolarHBondContact O-CD1 3.49Å |
| 762 | I | 97.3 | Very high | 95 | Very high | 16 Ų | 16 | 57.7 Ų | 57.7 | 8% | 0.082 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.6 | -42.5 | 172.6 | -67.7 | 165.5 | 0 | 0 | 0 | 111.5 | F758 N759 K760 L764 A765 Q766 M825 K829 L832 L862 | F758-I762 HydrophobicContact CD2-CD1 4.35Å; F758-I762 HydrophobicContact CD2-CG1 4.27Å; F758-I762 HydrophobicContact CE2-CD1 4.42Å; F758-I762 HydrophobicContact CE2-CG1 4.29Å; F758-I762 WeakPolarHBondContact O-CG1 3.23Å; F758-I762 PolarHBondContact O-N 3.36Å; N759-I762 WeakPolarHBondContact O-CB 3.46Å; N759-I762 PolarHBondContact O-N 3.15Å; N759-I762 VanDerWaalsContact O-N 3.14Å; K760-I762 VanDerWaalsContact C-N 3.33Å; I762-L764 VanDerWaalsContact C-N 3.3Å; I762-L764 PolarHBondContact O-N 3.07Å; I762-A765 WeakPolarHBondContact O-CB 3.18Å; I762-A765 PolarHBondContact O-N 3.43Å; I762-Q766 PolarHBondContact O-N 3.08Å; I762-M825 HydrophobicContact CG2-CG 4.17Å; I762-K829 HydrophobicContact CD1-CB 4.29Å; I762-K829 HydrophobicContact CG2-CB 4.48Å; I762-L832 HydrophobicContact CD1-CB 4.48Å; I762-L832 HydrophobicContact CD1-CD2 3.77Å; I762-L862 HydrophobicContact CG1-CD2 3.77Å |
| 763 | E | 96.5 | Very high | 95 | Very high | 136 Ų | 136 | 56.2 Ų | 56.2 | 64% | 0.636 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -61.2 | -40.9 | 174.5 | -71.7 | 175.1 | -178.7 | 0 | 0 | 111.7 | N759 K760 Q766 K767 | N759-E763 WeakPolarHBondContact O-CG 3.39Å; N759-E763 PolarHBondContact O-N 2.69Å; K760-E763 PolarHBondContact O-N 3.04Å; E763-Q766 PolarHBondContact O-N 2.86Å; E763-K767 PolarHBondContact O-N 3.44Å |
| 764 | L | 96.1 | Very high | 94.7 | Very high | 82 Ų | 82 | 53.5 Ų | 53.5 | 43% | 0.429 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 173.8 | -176.9 | 62.7 | 0 | 0 | 0 | 111.1 | K760 T761 I762 Q766 K767 T768 I866 | K760-L764 WeakPolarHBondContact O-CB 3.45Å; K760-L764 PolarHBondContact O-N 2.84Å; T761-L764 PolarHBondContact O-N 3.44Å; I762-L764 VanDerWaalsContact C-N 3.3Å; I762-L764 PolarHBondContact O-N 3.07Å; L764-Q766 VanDerWaalsContact C-N 3.31Å; L764-Q766 PolarHBondContact O-N 3.05Å; L764-K767 WeakPolarHBondContact O-CB 3.38Å; L764-K767 PolarHBondContact O-N 3.33Å; L764-T768 PolarHBondContact O-N 2.82Å; L764-T768 PolarHBondContact O-OG1 3.37Å; L764-T768 VanDerWaalsContact O-OG1 3.05Å; L764-I866 HydrophobicContact CB-CD1 4.2Å; L764-I866 HydrophobicContact CD2-CD1 4.19Å; L764-I866 HydrophobicContact CD2-CG2 3.91Å; L764-I866 HydrophobicContact CG-CD1 4.13Å; L764-I866 HydrophobicContact CG-CG2 3.94Å |
| 765 | A | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.7 | -41.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T761 I762 T768 L769 L821 M825 L862 I866 | T761-A765 PolarHBondContact O-N 2.82Å; I762-A765 WeakPolarHBondContact O-CB 3.18Å; I762-A765 PolarHBondContact O-N 3.43Å; A765-T768 PolarHBondContact O-N 3.19Å; A765-L769 WeakPolarHBondContact O-CB 3.43Å; A765-L769 PolarHBondContact O-N 3.29Å; A765-L821 HydrophobicContact CB-CD1 4.45Å; A765-M825 HydrophobicContact CB-CB 4.22Å; A765-M825 HydrophobicContact CB-CG 3.96Å; A765-M825 HydrophobicContact CB-SD 4.06Å; A765-L862 HydrophobicContact CB-CD1 4.02Å; A765-L862 HydrophobicContact CB-CD2 4.11Å; A765-L862 HydrophobicContact CB-CG 4.28Å; A765-I866 HydrophobicContact CB-CD1 3.79Å; A765-I866 HydrophobicContact CB-CG1 3.91Å |
| 766 | Q | 96.9 | Very high | 93.6 | Very high | 78 Ų | 78 | 53.5 Ų | 53.5 | 36% | 0.364 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.4 | -40.6 | 177 | -177.2 | 62.4 | 72.4 | 0 | 0 | 111.9 | I762 E763 L764 L769 N770 M825 | I762-Q766 PolarHBondContact O-N 3.08Å; E763-Q766 PolarHBondContact O-N 2.86Å; L764-Q766 VanDerWaalsContact C-N 3.31Å; L764-Q766 PolarHBondContact O-N 3.05Å; Q766-L769 PolarHBondContact O-N 3.24Å; Q766-N770 PolarHBondContact NE2-OD1 3.48Å; Q766-N770 VanDerWaalsContact O-CG 3.25Å; Q766-N770 PolarHBondContact O-N 3.49Å; Q766-M825 HydrophobicContact CB-SD 3.83Å |
| 767 | K | 95.2 | Very high | 93 | Very high | 127 Ų | 127 | 53.8 Ų | 53.8 | 55% | 0.552 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -62.2 | -49 | 174.4 | -174.5 | -176.4 | 176.1 | -174.8 | 0 | 110.9 | E763 L764 L769 N770 E771 | E763-K767 PolarHBondContact O-N 3.44Å; L764-K767 WeakPolarHBondContact O-CB 3.38Å; L764-K767 PolarHBondContact O-N 3.33Å; K767-L769 VanDerWaalsContact C-N 3.32Å; K767-L769 PolarHBondContact O-N 3.26Å; K767-N770 PolarHBondContact O-N 3.37Å; K767-E771 VanDerWaalsContact CE-OE1 3.28Å; K767-E771 WeakPolarHBondContact CE-OE1 3.25Å; K767-E771 WeakPolarHBondContact O-CG 3.27Å; K767-E771 PolarHBondContact O-N 3.14Å |
| 768 | T | 94.7 | Very high | 92 | Very high | 5 Ų | 5 | 55.3 Ų | 55.3 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.9 | -44.9 | 175.8 | -60.7 | 0 | 0 | 0 | 0 | 111.3 | L764 A765 N770 E771 M772 L821 M873 | L764-T768 PolarHBondContact O-N 2.82Å; L764-T768 PolarHBondContact O-OG1 3.37Å; L764-T768 VanDerWaalsContact O-OG1 3.05Å; A765-T768 PolarHBondContact O-N 3.19Å; T768-N770 PolarHBondContact O-N 2.93Å; T768-E771 PolarHBondContact O-N 3.23Å; T768-M772 HydrophobicContact CG2-SD 4.22Å; T768-M772 VanDerWaalsContact O-CG 3.28Å; T768-M772 WeakPolarHBondContact O-CG 3.47Å; T768-M772 PolarHBondContact O-N 3.15Å; T768-L821 HydrophobicContact CG2-CD2 3.82Å; T768-M873 HydrophobicContact CG2-CE 3.67Å |
| 769 | L | 94.5 | Very high | 90.8 | Very high | 7 Ų | 7 | 55.5 Ų | 55.5 | 4% | 0.037 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 177.9 | -176.9 | 64.5 | 0 | 0 | 0 | 112.3 | A765 Q766 K767 M772 V773 I818 L821 R822 M825 | A765-L769 WeakPolarHBondContact O-CB 3.43Å; A765-L769 PolarHBondContact O-N 3.29Å; Q766-L769 PolarHBondContact O-N 3.24Å; K767-L769 VanDerWaalsContact C-N 3.32Å; K767-L769 PolarHBondContact O-N 3.26Å; L769-M772 WeakPolarHBondContact O-CB 3.45Å; L769-M772 PolarHBondContact O-N 2.81Å; L769-V773 WeakPolarHBondContact O-CG2 3.34Å; L769-V773 PolarHBondContact O-N 3.44Å; L769-I818 HydrophobicContact CD1-CG2 3.86Å; L769-L821 HydrophobicContact CB-CD2 4.08Å; L769-L821 HydrophobicContact CD1-CB 4.47Å; L769-L821 HydrophobicContact CD1-CD2 4.41Å; L769-R822 HydrophobicContact CD1-CB 4.33Å; L769-R822 HydrophobicContact CD2-CB 3.95Å; L769-R822 HydrophobicContact CD2-CG 4.18Å; L769-M825 HydrophobicContact CD2-CE 3.8Å |
| 770 | N | 93.7 | Very high | 89.6 | Confident | 89 Ų | 89 | 54.3 Ų | 54.3 | 48% | 0.476 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 176.2 | -70.9 | -11.4 | 0 | 0 | 0 | 111.2 | Q766 K767 T768 M772 V773 E774 | Q766-N770 PolarHBondContact NE2-OD1 3.48Å; Q766-N770 VanDerWaalsContact O-CG 3.25Å; Q766-N770 PolarHBondContact O-N 3.49Å; K767-N770 PolarHBondContact O-N 3.37Å; T768-N770 PolarHBondContact O-N 2.93Å; N770-M772 VanDerWaalsContact C-N 3.35Å; N770-M772 PolarHBondContact O-N 2.98Å; N770-V773 PolarHBondContact O-N 3.35Å; N770-E774 WeakPolarHBondContact O-CB 3.45Å; N770-E774 WeakPolarHBondContact O-CG 3.49Å; N770-E774 PolarHBondContact O-N 3.21Å |
| 771 | E | 90.8 | Very high | 88.3 | Confident | 57 Ų | 57 | 54.4 Ų | 54.4 | 27% | 0.266 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.4 | -40.4 | 175.5 | -72.5 | -174.4 | -151.9 | 0 | 0 | 112.2 | K767 T768 V773 E774 L775 M873 R877 | K767-E771 VanDerWaalsContact CE-OE1 3.28Å; K767-E771 WeakPolarHBondContact CE-OE1 3.25Å; K767-E771 WeakPolarHBondContact O-CG 3.27Å; K767-E771 PolarHBondContact O-N 3.14Å; T768-E771 PolarHBondContact O-N 3.23Å; E771-V773 PolarHBondContact O-N 3.29Å; E771-E774 PolarHBondContact O-N 3.38Å; E771-L775 VanDerWaalsContact O-CB 3.3Å; E771-L775 WeakPolarHBondContact O-CB 3.44Å; E771-L775 WeakPolarHBondContact O-CG 3.41Å; E771-L775 PolarHBondContact O-N 3.07Å; E771-M873 HydrophobicContact CB-CE 4.19Å; E771-M873 HydrophobicContact CB-SD 3.52Å; E771-M873 VanDerWaalsContact CB-SD 3.52Å; E771-R877 IonicContact OE2-NH2 3.41Å; E771-R877 PolarHBondContact OE2-NH2 2.64Å |
| 772 | M | 90.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.7 | -44 | 174.6 | -72.3 | 167.7 | 67.8 | 0 | 0 | 111.9 | T768 L769 N770 S776 F813 I818 L821 Y869 M873 | T768-M772 HydrophobicContact CG2-SD 4.22Å; T768-M772 VanDerWaalsContact O-CG 3.28Å; T768-M772 WeakPolarHBondContact O-CG 3.47Å; T768-M772 PolarHBondContact O-N 3.15Å; L769-M772 WeakPolarHBondContact O-CB 3.45Å; L769-M772 PolarHBondContact O-N 2.81Å; N770-M772 VanDerWaalsContact C-N 3.35Å; N770-M772 PolarHBondContact O-N 2.98Å; M772-S776 WeakPolarHBondContact O-CB 3.27Å; M772-S776 PolarHBondContact O-N 3.34Å; M772-S776 PolarHBondContact O-OG 2.92Å; M772-F813 HydrophobicContact CB-CD2 3.81Å; M772-F813 HydrophobicContact CB-CE2 3.93Å; M772-F813 HydrophobicContact CB-CG 4.26Å; M772-F813 HydrophobicContact CB-CZ 4.49Å; M772-F813 HydrophobicContact CE-CB 4.32Å; M772-F813 HydrophobicContact CE-CD1 3.58Å; M772-F813 HydrophobicContact CE-CE1 4.04Å; M772-F813 HydrophobicContact CE-CG 3.88Å; M772-F813 HydrophobicContact CG-CD1 4.3Å; M772-F813 HydrophobicContact CG-CD2 4.03Å; M772-F813 HydrophobicContact CG-CE1 4.07Å; M772-F813 HydrophobicContact CG-CE2 3.79Å; M772-F813 HydrophobicContact CG-CG 4.3Å; M772-F813 HydrophobicContact CG-CZ 3.85Å; M772-I818 HydrophobicContact CE-CG1 4.17Å; M772-L821 HydrophobicContact SD-CD2 3.55Å; M772-L821 VanDerWaalsContact SD-CD2 3.55Å; M772-Y869 HydrophobicContact CE-CD1 3.57Å; M772-Y869 HydrophobicContact CE-CD2 4.44Å; M772-Y869 HydrophobicContact CE-CE1 3.89Å; M772-Y869 HydrophobicContact CE-CG 3.87Å; M772-Y869 HydrophobicContact SD-CD1 4.06Å; M772-Y869 HydrophobicContact SD-CD2 4.31Å; M772-Y869 HydrophobicContact SD-CG 3.76Å; M772-M873 HydrophobicContact CG-CG 4.18Å; M772-M873 HydrophobicContact CG-SD 3.78Å |
| 773 | V | 89.7 | Confident | 85.4 | Confident | 37 Ų | 37 | 55.6 Ų | 55.6 | 22% | 0.224 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.8 | -44.5 | 178.8 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | L769 N770 E771 S776 K777 I818 | L769-V773 WeakPolarHBondContact O-CG2 3.34Å; L769-V773 PolarHBondContact O-N 3.44Å; N770-V773 PolarHBondContact O-N 3.35Å; E771-V773 PolarHBondContact O-N 3.29Å; V773-S776 PolarHBondContact O-N 3.03Å; V773-K777 HydrophobicContact CG1-CD 4.4Å; V773-K777 WeakPolarHBondContact O-CG 3.44Å; V773-K777 PolarHBondContact O-N 2.73Å; V773-I818 HydrophobicContact CG2-CD1 4.43Å; V773-I818 HydrophobicContact CG2-CG2 4.19Å |
| 774 | E | 86.9 | Confident | 83.7 | Confident | 105 Ų | 105 | 59.3 Ų | 59.3 | 49% | 0.491 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.5 | -41.8 | 178.4 | -72.3 | -54.6 | 127.6 | 0 | 0 | 112.1 | N770 E771 S776 K777 L778 | N770-E774 WeakPolarHBondContact O-CB 3.45Å; N770-E774 WeakPolarHBondContact O-CG 3.49Å; N770-E774 PolarHBondContact O-N 3.21Å; E771-E774 PolarHBondContact O-N 3.38Å; E774-S776 VanDerWaalsContact C-N 3.3Å; E774-S776 PolarHBondContact O-N 3.49Å; E774-K777 PolarHBondContact O-N 3.3Å; E774-K777 IonicContact OE1-NZ 2.75Å; E774-K777 PolarHBondContact OE1-NZ 3.08Å; E774-L778 VanDerWaalsContact O-CB 3.29Å; E774-L778 WeakPolarHBondContact O-CB 3.35Å; E774-L778 PolarHBondContact O-N 3.07Å |
| 775 | L | 84.1 | Confident | 82.1 | Confident | 12 Ų | 12 | 59.7 Ų | 59.7 | 6% | 0.063 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.1 | -41.1 | 172.2 | -81.4 | 167 | 0 | 0 | 0 | 111.5 | E771 L778 F779 M873 R877 I880 | E771-L775 VanDerWaalsContact O-CB 3.3Å; E771-L775 WeakPolarHBondContact O-CB 3.44Å; E771-L775 WeakPolarHBondContact O-CG 3.41Å; E771-L775 PolarHBondContact O-N 3.07Å; L775-L778 PolarHBondContact O-N 3.13Å; L775-F779 WeakPolarHBondContact O-CB 3.46Å; L775-F779 PolarHBondContact O-N 3.17Å; L775-M873 HydrophobicContact CD1-CB 3.97Å; L775-M873 HydrophobicContact CD1-CG 3.71Å; L775-M873 HydrophobicContact CD1-SD 3.86Å; L775-R877 HydrophobicContact CD1-CG 4.28Å; L775-R877 HydrophobicContact CD2-CG 4.06Å; L775-I880 HydrophobicContact CD2-CD1 4.08Å |
| 776 | S | 83.2 | Confident | 80.3 | Confident | 17 Ų | 17 | 61 Ų | 61 | 12% | 0.119 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.1 | -39.3 | 177.2 | -58.1 | 0 | 0 | 0 | 0 | 112.5 | M772 V773 E774 S780 | M772-S776 WeakPolarHBondContact O-CB 3.27Å; M772-S776 PolarHBondContact O-N 3.34Å; M772-S776 PolarHBondContact O-OG 2.92Å; V773-S776 PolarHBondContact O-N 3.03Å; E774-S776 VanDerWaalsContact C-N 3.3Å; E774-S776 PolarHBondContact O-N 3.49Å; S776-S780 WeakPolarHBondContact O-CB 3.4Å; S776-S780 PolarHBondContact O-N 3.21Å; S776-S780 PolarHBondContact O-OG 3.17Å |
| 777 | K | 81.6 | Confident | 78.2 | Confident | 103 Ų | 103 | 60.3 Ų | 60.3 | 45% | 0.448 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.1 | -49.8 | 173.8 | -73.1 | 175.6 | -170.6 | 164.9 | 0 | 112 | V773 E774 F779 S780 Q781 | V773-K777 HydrophobicContact CG1-CD 4.4Å; V773-K777 WeakPolarHBondContact O-CG 3.44Å; V773-K777 PolarHBondContact O-N 2.73Å; E774-K777 PolarHBondContact O-N 3.3Å; E774-K777 IonicContact OE1-NZ 2.75Å; E774-K777 PolarHBondContact OE1-NZ 3.08Å; K777-F779 VanDerWaalsContact C-N 3.29Å; K777-F779 PolarHBondContact O-N 2.95Å; K777-S780 WeakPolarHBondContact O-CB 3.36Å; K777-S780 PolarHBondContact O-N 3.01Å; K777-Q781 WeakPolarHBondContact O-CG 3.4Å; K777-Q781 PolarHBondContact O-N 2.91Å |
| 778 | L | 75.5 | Confident | 76 | Confident | 80 Ų | 80 | 58.9 Ų | 58.9 | 42% | 0.419 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -56.9 | -47.5 | -179.8 | -172.9 | 115.9 | 0 | 0 | 0 | 109.8 | E774 L775 S780 Q781 T782 I880 | E774-L778 VanDerWaalsContact O-CB 3.29Å; E774-L778 WeakPolarHBondContact O-CB 3.35Å; E774-L778 PolarHBondContact O-N 3.07Å; L775-L778 PolarHBondContact O-N 3.13Å; L778-S780 PolarHBondContact O-N 3.1Å; L778-Q781 WeakPolarHBondContact O-CB 3.5Å; L778-Q781 PolarHBondContact O-N 3.09Å; L778-Q781 VanDerWaalsContact O-N 3.15Å; L778-T782 PolarHBondContact O-N 3.28Å; L778-T782 PolarHBondContact O-OG1 3.13Å; L778-I880 HydrophobicContact CD2-CD1 4.47Å; L778-I880 HydrophobicContact CD2-CG2 4.45Å |
| 779 | F | 73.4 | Confident | 73.8 | Confident | 4 Ų | 4 | 66.4 Ų | 66.4 | 2% | 0.018 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.4 | -40.8 | 177.2 | -178.7 | -102.1 | 0 | 0 | 0 | 113.3 | L775 K777 Q781 T782 L783 W809 I812 I880 M883 | L775-F779 WeakPolarHBondContact O-CB 3.46Å; L775-F779 PolarHBondContact O-N 3.17Å; K777-F779 VanDerWaalsContact C-N 3.29Å; K777-F779 PolarHBondContact O-N 2.95Å; F779-Q781 VanDerWaalsContact C-N 3.28Å; F779-Q781 PolarHBondContact O-N 2.96Å; F779-T782 PolarHBondContact O-N 2.82Å; F779-L783 HydrophobicContact CD1-CD1 3.86Å; F779-L783 HydrophobicContact CE1-CD1 3.51Å; F779-L783 HydrophobicContact CE1-CG 4.31Å; F779-L783 HydrophobicContact CZ-CD1 4Å; F779-L783 HydrophobicContact CZ-CG 4.41Å; F779-L783 PolarHBondContact O-N 3.23Å; F779-W809 WeakPolarHBondContact CE1-O 3.05Å; F779-W809 AromaticContact CE2-CE3 4Å; F779-W809 HydrophobicContact CE2-CE3 4Å; F779-W809 HydrophobicContact CZ-CB 3.89Å; F779-W809 AromaticContact CZ-CE3 3.82Å; F779-W809 HydrophobicContact CZ-CE3 3.82Å; F779-W809 WeakPolarHBondContact CZ-O 3.18Å; F779-I812 HydrophobicContact CB-CD1 3.31Å; F779-I812 HydrophobicContact CB-CG1 4.02Å; F779-I812 HydrophobicContact CD1-CD1 3.91Å; F779-I812 HydrophobicContact CD1-CG1 3.64Å; F779-I812 HydrophobicContact CD2-CD1 3.6Å; F779-I812 HydrophobicContact CD2-CG1 3.96Å; F779-I812 HydrophobicContact CE1-CG1 3.94Å; F779-I812 HydrophobicContact CE2-CD1 4.33Å; F779-I812 HydrophobicContact CE2-CG1 4.28Å; F779-I812 HydrophobicContact CG-CD1 3.34Å; F779-I812 HydrophobicContact CG-CG1 3.62Å; F779-I812 HydrophobicContact CZ-CG1 4.27Å; F779-I880 HydrophobicContact CD2-CD1 4.37Å; F779-I880 HydrophobicContact CD2-CG1 4.21Å; F779-M883 HydrophobicContact CE2-SD 4.43Å |
| 780 | S | 71.8 | Confident | 71.5 | Confident | 48 Ų | 48 | 70.5 Ų | 70.5 | 34% | 0.336 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.9 | -35.6 | 172.1 | -63.1 | 0 | 0 | 0 | 0 | 112.8 | S776 K777 L778 R784 | S776-S780 WeakPolarHBondContact O-CB 3.4Å; S776-S780 PolarHBondContact O-N 3.21Å; S776-S780 PolarHBondContact O-OG 3.17Å; K777-S780 WeakPolarHBondContact O-CB 3.36Å; K777-S780 PolarHBondContact O-N 3.01Å; L778-S780 PolarHBondContact O-N 3.1Å; S780-R784 WeakPolarHBondContact O-CG 3.14Å; S780-R784 PolarHBondContact O-N 3.37Å |
| 781 | Q | 68.6 | Low | 69.2 | Low | 125 Ų | 125 | 71.7 Ų | 71.7 | 58% | 0.584 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -71.1 | -45.1 | 174.3 | -71 | 174.9 | -1.3 | 0 | 0 | 111.4 | K777 L778 F779 L783 R784 T785 | K777-Q781 WeakPolarHBondContact O-CG 3.4Å; K777-Q781 PolarHBondContact O-N 2.91Å; L778-Q781 WeakPolarHBondContact O-CB 3.5Å; L778-Q781 PolarHBondContact O-N 3.09Å; L778-Q781 VanDerWaalsContact O-N 3.15Å; F779-Q781 VanDerWaalsContact C-N 3.28Å; F779-Q781 PolarHBondContact O-N 2.96Å; Q781-L783 VanDerWaalsContact C-N 3.27Å; Q781-L783 PolarHBondContact O-N 2.95Å; Q781-R784 WeakPolarHBondContact O-CB 3.5Å; Q781-R784 PolarHBondContact O-N 3.49Å; Q781-T785 PolarHBondContact O-N 3.13Å; Q781-T785 VanDerWaalsContact O-N 3.1Å |
| 782 | T | 66.2 | Low | 66.9 | Low | 13 Ų | 13 | 76.4 Ų | 76.4 | 8% | 0.08 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57.2 | -40.4 | 174.3 | -54.7 | 0 | 0 | 0 | 0 | 111.3 | L778 F779 R784 T785 I786 F884 | L778-T782 PolarHBondContact O-N 3.28Å; L778-T782 PolarHBondContact O-OG1 3.13Å; F779-T782 PolarHBondContact O-N 2.82Å; T782-R784 VanDerWaalsContact C-N 3.29Å; T782-R784 PolarHBondContact O-N 3.01Å; T782-T785 PolarHBondContact O-N 3.47Å; T782-T785 PolarHBondContact O-OG1 2.94Å; T782-I786 WeakPolarHBondContact O-CG1 3.12Å; T782-I786 PolarHBondContact O-N 2.82Å; T782-F884 HydrophobicContact CG2-CE1 4.42Å; T782-F884 HydrophobicContact CG2-CE2 4.41Å; T782-F884 HydrophobicContact CG2-CZ 3.98Å |
| 783 | L | 66.4 | Low | 64.3 | Low | 42 Ų | 42 | 81.6 Ų | 81.6 | 22% | 0.22 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -62.8 | -32.3 | 174.3 | -81 | 167.6 | 0 | 0 | 0 | 113.5 | F779 Q781 I786 Q791 W809 | F779-L783 HydrophobicContact CD1-CD1 3.86Å; F779-L783 HydrophobicContact CE1-CD1 3.51Å; F779-L783 HydrophobicContact CE1-CG 4.31Å; F779-L783 HydrophobicContact CZ-CD1 4Å; F779-L783 HydrophobicContact CZ-CG 4.41Å; F779-L783 PolarHBondContact O-N 3.23Å; Q781-L783 VanDerWaalsContact C-N 3.27Å; Q781-L783 PolarHBondContact O-N 2.95Å; L783-I786 HydrophobicContact CD2-CD1 4.44Å; L783-Q791 PolarHBondContact O-NE2 3.38Å; L783-W809 WeakPolarHBondContact CD1-O 3.25Å; L783-W809 HydrophobicContact CD2-CB 4.38Å |
| 784 | R | 62.6 | Low | 61.7 | Low | 215 Ų | 215 | 83.8 Ų | 83.8 | 81% | 0.811 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -77.4 | -25.8 | 177.1 | -69.7 | 176.5 | -168.3 | -163.1 | 3.2 | 113.3 | S780 Q781 T782 I786 | S780-R784 WeakPolarHBondContact O-CG 3.14Å; S780-R784 PolarHBondContact O-N 3.37Å; Q781-R784 WeakPolarHBondContact O-CB 3.5Å; Q781-R784 PolarHBondContact O-N 3.49Å; T782-R784 VanDerWaalsContact C-N 3.29Å; T782-R784 PolarHBondContact O-N 3.01Å; R784-I786 VanDerWaalsContact C-N 3.33Å |
| 785 | T | 61.6 | Low | 59.2 | Low | 90 Ų | 90 | 84 Ų | 84 | 55% | 0.552 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -82.9 | -12.8 | 176.2 | 57.6 | 0 | 0 | 0 | 0 | 112.8 | Q781 T782 P787 | Q781-T785 PolarHBondContact O-N 3.13Å; Q781-T785 VanDerWaalsContact O-N 3.1Å; T782-T785 PolarHBondContact O-N 3.47Å; T782-T785 PolarHBondContact O-OG1 2.94Å; T785-P787 WeakPolarHBondContact O-CD 3.38Å |
| 786 | I | 58 | Low | 56.6 | Low | 27 Ų | 27 | 87.4 Ų | 87.4 | 14% | 0.138 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -73.7 | 116 | 167.9 | -64.2 | 167.1 | 0 | 0 | 0 | 107.7 | T782 L783 R784 Q790 M883 | T782-I786 WeakPolarHBondContact O-CG1 3.12Å; T782-I786 PolarHBondContact O-N 2.82Å; L783-I786 HydrophobicContact CD2-CD1 4.44Å; R784-I786 VanDerWaalsContact C-N 3.33Å; I786-Q790 HydrophobicContact CG2-CB 3.76Å; I786-M883 HydrophobicContact CD1-CE 4.37Å |
| 787 | P | 53 | Low | 54 | Low | 64 Ų | 64 | 93.9 Ų | 93.9 | 42% | 0.416 | 50% | 0.504 | S | S | . | . | trans | -53.3 | 141.6 | 179.4 | -24.6 | 33.8 | 0 | 0 | 0 | 111.6 | T785 E789 Q790 | T785-P787 WeakPolarHBondContact O-CD 3.38Å; P787-E789 PolarHBondContact O-N 3.34Å; P787-Q790 PolarHBondContact O-N 3.13Å | ||
| 788 | S | 49.6 | Very low | 51.6 | Low | 97 Ų | 97 | 94.6 Ų | 94.6 | 68% | 0.678 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -53 | -24.8 | -176.1 | -39.2 | 0 | 0 | 0 | 0 | 114 | Q790 Q791 | S788-Q790 VanDerWaalsContact C-N 3.27Å; S788-Q790 PolarHBondContact O-N 3.08Å; S788-Q791 PolarHBondContact O-N 3.44Å |
| 789 | E | 47.3 | Very low | 49.3 | Very low | 162 Ų | 162 | 96.2 Ų | 96.2 | 76% | 0.757 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -69.3 | -19.5 | 175.5 | -70.9 | 178.2 | 168.7 | 0 | 0 | 113.6 | P787 N793 | P787-E789 PolarHBondContact O-N 3.34Å; E789-N793 PolarHBondContact O-ND2 3.44Å |
| 790 | Q | 47.9 | Very low | 47.2 | Very low | 94 Ų | 94 | 105.3 Ų | 105.3 | 44% | 0.439 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -98.6 | -14.8 | 173.8 | -74 | -173.7 | -9.4 | 0 | 0 | 113.9 | I786 P787 S788 Q792 N793 | I786-Q790 HydrophobicContact CG2-CB 3.76Å; P787-Q790 PolarHBondContact O-N 3.13Å; S788-Q790 VanDerWaalsContact C-N 3.27Å; S788-Q790 PolarHBondContact O-N 3.08Å; Q790-Q792 PolarHBondContact O-N 3.01Å; Q790-N793 PolarHBondContact O-N 2.95Å |
| 791 | Q | 45.7 | Very low | 45 | Very low | 113 Ų | 113 | 112.1 Ų | 112.1 | 53% | 0.528 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -69.4 | -19.6 | 169.9 | -74.7 | -174.7 | -0.5 | 0 | 0 | 112.6 | L783 S788 | L783-Q791 PolarHBondContact O-NE2 3.38Å; S788-Q791 PolarHBondContact O-N 3.44Å |
| 792 | Q | 41.5 | Very low | 43 | Very low | 156 Ų | 156 | 111.7 Ų | 111.7 | 73% | 0.729 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -19.3 | 173.9 | -72 | -173.6 | -10.6 | 0 | 0 | 114.2 | Q790 | Q790-Q792 PolarHBondContact O-N 3.01Š|
| 793 | N | 36.4 | Very low | 41.3 | Very low | 110 Ų | 110 | 115.9 Ų | 115.9 | 59% | 0.588 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -91.5 | -3.7 | -174.3 | -76.9 | -18 | 0 | 0 | 0 | 115.1 | E789 Q790 S795 S796 | E789-N793 PolarHBondContact O-ND2 3.44Å; Q790-N793 PolarHBondContact O-N 2.95Å; N793-S795 PolarHBondContact O-N 2.88Å; N793-S796 PolarHBondContact O-OG 2.91Å; N793-S796 VanDerWaalsContact O-OG 3.12Å |
| 794 | A | 34 | Very low | 39.6 | Very low | 82 Ų | 82 | 123.7 Ų | 123.7 | 68% | 0.678 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -75.2 | -3.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S796 | A794-S796 VanDerWaalsContact C-N 3.35Š|
| 795 | S | 35.6 | Very low | 38.1 | Very low | 110 Ų | 110 | 121.5 Ų | 121.5 | 77% | 0.769 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -93.3 | 15.8 | 176.2 | -57.3 | 0 | 0 | 0 | 0 | 113.9 | N793 | N793-S795 PolarHBondContact O-N 2.88Š|
| 796 | S | 29.8 | Very low | 36.7 | Very low | 83 Ų | 83 | 121.2 Ų | 121.2 | 58% | 0.58 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -120.7 | 58.1 | 179.3 | 59.8 | 0 | 0 | 0 | 0 | 112 | N793 A794 | N793-S796 PolarHBondContact O-OG 2.91Å; N793-S796 VanDerWaalsContact O-OG 3.12Å; A794-S796 VanDerWaalsContact C-N 3.35Å |
| 797 | N | 28.6 | Very low | 35.9 | Very low | 154 Ų | 154 | 122.8 Ų | 122.8 | 82% | 0.824 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -163.4 | 140.1 | 148.5 | -91.6 | -31 | 0 | 0 | 0 | 110.1 | ||
| 798 | S | 29.6 | Very low | 35.6 | Very low | 117 Ų | 117 | 124.8 Ų | 124.8 | 82% | 0.818 | 71% | 0.707 | S | S | * | * | trans | 74.2 | 93.8 | -177.2 | 65.2 | 0 | 0 | 0 | 0 | 116.8 | E800 | S798-E800 PolarHBondContact O-N 2.7Š| ||
| 799 | S | 27.3 | Very low | 35.6 | Very low | 115 Ų | 115 | 123.5 Ų | 123.5 | 80% | 0.804 | 69% | 0.688 | S | S | * | * | trans | -44.5 | 119.8 | 146.8 | 49.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 800 | E | 30.5 | Very low | 35.8 | Very low | 194 Ų | 194 | 122.5 Ų | 122.5 | 91% | 0.907 | 68% | 0.681 | S | S | * | * | trans | -176.8 | 142.2 | 130.6 | -102.7 | 168.3 | -174.6 | 0 | 0 | 110.1 | S798 | S798-E800 PolarHBondContact O-N 2.7Š| ||
| 801 | Q | 24.5 | Very low | 36.3 | Very low | 191 Ų | 191 | 122.9 Ų | 122.9 | 89% | 0.893 | 69% | 0.686 | S | S | * | * | trans | -75 | 118.3 | -171.2 | -64.9 | 167 | -41.4 | 0 | 0 | 111.3 | ||||
| 802 | T | 27.2 | Very low | 37.5 | Very low | 117 Ų | 117 | 117.6 Ų | 117.6 | 72% | 0.718 | 66% | 0.662 | S | S | * | * | trans | -163 | 124.5 | 145.5 | 31.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 803 | S | 30.2 | Very low | 39.4 | Very low | 100 Ų | 100 | 110.3 Ų | 110.3 | 70% | 0.699 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 17.4 | 112.2 | 156.3 | 54 | 0 | 0 | 0 | 0 | 119.1 | E805 | S803-E805 PolarHBondContact O-N 2.77Š|
| 804 | E | 29.8 | Very low | 41.6 | Very low | 206 Ų | 206 | 108.4 Ų | 108.4 | 96% | 0.963 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 24.4 | 50.8 | 150.6 | -66.6 | -175.6 | 163.1 | 0 | 0 | 117.5 | S806 | E804-S806 PolarHBondContact O-N 2.73Š|
| 805 | E | 31.2 | Very low | 43.9 | Very low | 169 Ų | 169 | 111.8 Ų | 111.8 | 79% | 0.79 | 62% | 0.619 | S | S | * | * | trans | -80.9 | 109.2 | 167.5 | -82.1 | -177.3 | 168.9 | 0 | 0 | 108.2 | S803 S807 | S803-E805 PolarHBondContact O-N 2.77Å; E805-S807 PolarHBondContact O-N 2.82Å | ||
| 806 | S | 33.9 | Very low | 46.4 | Very low | 85 Ų | 85 | 111.4 Ų | 111.4 | 59% | 0.594 | 61% | 0.612 | S | S | * | * | trans | -48.3 | 130 | 171.3 | 66.7 | 0 | 0 | 0 | 0 | 109.8 | E804 | E804-S806 PolarHBondContact O-N 2.73Š| ||
| 807 | S | 39.6 | Very low | 49.3 | Very low | 59 Ų | 59 | 108.6 Ų | 108.6 | 41% | 0.413 | 59% | 0.589 | S | S | . | * | trans | -22 | 129.2 | 171.7 | 179.3 | 0 | 0 | 0 | 0 | 113.3 | E805 W809 K810 | E805-S807 PolarHBondContact O-N 2.82Å; S807-W809 PolarHBondContact O-N 2.89Å; S807-K810 PolarHBondContact O-N 3.37Å | ||
| 808 | P | 46.5 | Very low | 52.2 | Low | 106 Ų | 106 | 102.2 Ų | 102.2 | 69% | 0.688 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.6 | -19.2 | -179.3 | -24 | 30.6 | 0 | 0 | 0 | 113.8 | ||
| 809 | W | 49.7 | Very low | 55.1 | Low | 70 Ų | 70 | 99.2 Ų | 99.2 | 27% | 0.265 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 12.1 | -172.4 | -50.6 | 106.2 | 0 | 0 | 0 | 113.4 | F779 L783 S807 W876 E879 M883 | F779-W809 WeakPolarHBondContact CE1-O 3.05Å; F779-W809 AromaticContact CE2-CE3 4Å; F779-W809 HydrophobicContact CE2-CE3 4Å; F779-W809 HydrophobicContact CZ-CB 3.89Å; F779-W809 AromaticContact CZ-CE3 3.82Å; F779-W809 HydrophobicContact CZ-CE3 3.82Å; F779-W809 WeakPolarHBondContact CZ-O 3.18Å; L783-W809 WeakPolarHBondContact CD1-O 3.25Å; L783-W809 HydrophobicContact CD2-CB 4.38Å; S807-W809 PolarHBondContact O-N 2.89Å; W809-W876 HydrophobicContact CE3-CZ3 4.15Å; W809-W876 AromaticContact CZ3-CZ3 3.91Å; W809-W876 HydrophobicContact CZ3-CZ3 3.91Å; W809-E879 HydrophobicContact CH2-CG 4.05Å; W809-E879 HydrophobicContact CZ3-CG 3.9Å; W809-M883 HydrophobicContact CE3-SD 4.27Å; W809-M883 HydrophobicContact CH2-SD 4.15Å; W809-M883 HydrophobicContact CZ3-SD 3.75Å |
| 810 | K | 52.2 | Low | 58.2 | Low | 141 Ų | 141 | 96.6 Ų | 96.6 | 61% | 0.613 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -76.2 | -23.5 | -172.9 | -107.8 | 176.9 | 178.1 | -179.6 | 0 | 114.7 | S807 | S807-K810 PolarHBondContact O-N 3.37Š|
| 811 | N | 59 | Low | 61.2 | Low | 103 Ų | 103 | 87.3 Ų | 87.3 | 55% | 0.551 | 47% | 0.466 | S | S | * | . | trans | -164.7 | 116.7 | 175.1 | -79.2 | -44.1 | 0 | 0 | 0 | 111.5 | F813 | N811-F813 VanDerWaalsContact C-N 3.3Å; N811-F813 PolarHBondContact O-N 3.49Å | ||
| 812 | I | 69.9 | Low | 64.5 | Low | 2 Ų | 2 | 83 Ų | 83 | 1% | 0.01 | 44% | 0.441 | C | S | . | . | S | Bend | trans | -55 | -46.8 | 174.7 | -71.8 | -177.7 | 0 | 0 | 0 | 111.4 | F779 K872 W876 I880 | F779-I812 HydrophobicContact CB-CD1 3.31Å; F779-I812 HydrophobicContact CB-CG1 4.02Å; F779-I812 HydrophobicContact CD1-CD1 3.91Å; F779-I812 HydrophobicContact CD1-CG1 3.64Å; F779-I812 HydrophobicContact CD2-CD1 3.6Å; F779-I812 HydrophobicContact CD2-CG1 3.96Å; F779-I812 HydrophobicContact CE1-CG1 3.94Å; F779-I812 HydrophobicContact CE2-CD1 4.33Å; F779-I812 HydrophobicContact CE2-CG1 4.28Å; F779-I812 HydrophobicContact CG-CD1 3.34Å; F779-I812 HydrophobicContact CG-CG1 3.62Å; F779-I812 HydrophobicContact CZ-CG1 4.27Å; I812-K872 WeakPolarHBondContact O-CE 3.26Å; I812-K872 PolarHBondContact O-NZ 3.49Å; I812-W876 HydrophobicContact CB-CD2 4.45Å; I812-W876 HydrophobicContact CD1-CB 4.5Å; I812-W876 HydrophobicContact CG1-CD2 4.11Å; I812-W876 HydrophobicContact CG1-CE3 4.21Å; I812-W876 HydrophobicContact CG1-CG 4.42Å; I812-W876 HydrophobicContact CG2-CB 4.01Å; I812-W876 VanDerWaalsContact CG2-CD1 3.44Å; I812-W876 HydrophobicContact CG2-CD2 4.01Å; I812-W876 HydrophobicContact CG2-CG 3.58Å; I812-W876 PolarHBondContact O-NE1 3.02Å; I812-I880 HydrophobicContact CD1-CD1 3.78Å |
| 813 | F | 81.5 | Confident | 67.8 | Low | 3 Ų | 3 | 81.8 Ų | 81.8 | 1% | 0.013 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -121.1 | 127.2 | 168.7 | -60.1 | -75.5 | 0 | 0 | 0 | 107 | M772 N811 E817 I818 Y869 K872 M873 | M772-F813 HydrophobicContact CB-CD2 3.81Å; M772-F813 HydrophobicContact CB-CE2 3.93Å; M772-F813 HydrophobicContact CB-CG 4.26Å; M772-F813 HydrophobicContact CB-CZ 4.49Å; M772-F813 HydrophobicContact CE-CB 4.32Å; M772-F813 HydrophobicContact CE-CD1 3.58Å; M772-F813 HydrophobicContact CE-CE1 4.04Å; M772-F813 HydrophobicContact CE-CG 3.88Å; M772-F813 HydrophobicContact CG-CD1 4.3Å; M772-F813 HydrophobicContact CG-CD2 4.03Å; M772-F813 HydrophobicContact CG-CE1 4.07Å; M772-F813 HydrophobicContact CG-CE2 3.79Å; M772-F813 HydrophobicContact CG-CG 4.3Å; M772-F813 HydrophobicContact CG-CZ 3.85Å; N811-F813 VanDerWaalsContact C-N 3.3Å; N811-F813 PolarHBondContact O-N 3.49Å; F813-E817 WeakPolarHBondContact CA-OE2 3.22Å; F813-I818 HydrophobicContact CB-CD1 4.09Å; F813-I818 HydrophobicContact CB-CG1 3.81Å; F813-Y869 HydrophobicContact CD1-CD1 4.24Å; F813-Y869 HydrophobicContact CE1-CD1 4.07Å; F813-K872 HydrophobicContact CD1-CD 4.2Å; F813-K872 HydrophobicContact CE1-CB 4.18Å; F813-K872 HydrophobicContact CE1-CD 3.76Å; F813-K872 HydrophobicContact CE1-CG 3.9Å; F813-K872 HydrophobicContact CZ-CG 4.41Å; F813-M873 HydrophobicContact CE1-CG 4.37Å; F813-M873 HydrophobicContact CE2-CG 3.77Å; F813-M873 HydrophobicContact CZ-CB 4.32Å; F813-M873 HydrophobicContact CZ-CG 3.31Å |
| 814 | N | 82.5 | Confident | 70.8 | Confident | 69 Ų | 69 | 79.3 Ų | 79.3 | 37% | 0.369 | 41% | 0.407 | S | S | . | . | trans | -75.4 | 165.1 | 172.3 | 66.8 | 35.8 | 0 | 0 | 0 | 110.2 | V816 E817 I818 | N814-V816 PolarHBondContact O-N 2.72Å; N814-V816 WeakPolarHBondContact OD1-CA 3.12Å; N814-V816 WeakPolarHBondContact OD1-CB 3.31Å; N814-V816 PolarHBondContact OD1-N 3.07Å; N814-V816 VanDerWaalsContact OD1-N 3.16Å; N814-E817 PolarHBondContact N-OE2 3.39Å; N814-E817 PolarHBondContact O-N 3.46Å; N814-E817 WeakPolarHBondContact OD1-CB 3.37Å; N814-E817 WeakPolarHBondContact OD1-CG 3.21Å; N814-E817 PolarHBondContact OD1-N 2.83Å; N814-I818 PolarHBondContact O-N 3.26Å | ||
| 815 | E | 83.6 | Confident | 73.9 | Confident | 154 Ų | 154 | 70.4 Ų | 70.4 | 72% | 0.72 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -58 | -36.7 | -179.8 | -166.6 | 168.7 | -163.8 | 0 | 0 | 111.5 | E817 I818 D819 | E815-E817 PolarHBondContact O-N 2.94Å; E815-I818 PolarHBondContact O-N 3.21Å; E815-D819 VanDerWaalsContact O-CB 3.27Å; E815-D819 WeakPolarHBondContact O-CB 3.23Å; E815-D819 VanDerWaalsContact O-CG 3.23Å; E815-D819 PolarHBondContact O-N 3.2Å |
| 816 | V | 87.8 | Confident | 77 | Confident | 101 Ų | 101 | 63.7 Ų | 63.7 | 61% | 0.612 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -61.9 | -41 | 177.5 | -177.7 | 0 | 0 | 0 | 0 | 112.4 | N814 D819 T820 | N814-V816 PolarHBondContact O-N 2.72Å; N814-V816 WeakPolarHBondContact OD1-CA 3.12Å; N814-V816 WeakPolarHBondContact OD1-CB 3.31Å; N814-V816 PolarHBondContact OD1-N 3.07Å; N814-V816 VanDerWaalsContact OD1-N 3.16Å; V816-D819 PolarHBondContact O-N 3.32Å; V816-T820 VanDerWaalsContact O-CB 3.32Å; V816-T820 WeakPolarHBondContact O-CB 3.19Å; V816-T820 PolarHBondContact O-N 3.32Å; V816-T820 PolarHBondContact O-OG1 2.81Å |
| 817 | E | 89.5 | Confident | 79.9 | Confident | 24 Ų | 24 | 65.2 Ų | 65.2 | 11% | 0.112 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -69.4 | -44.6 | 179 | -76.5 | 179.4 | 131.5 | 0 | 0 | 111.7 | F813 N814 E815 D819 T820 L821 Y869 K872 | F813-E817 WeakPolarHBondContact CA-OE2 3.22Å; N814-E817 PolarHBondContact N-OE2 3.39Å; N814-E817 PolarHBondContact O-N 3.46Å; N814-E817 WeakPolarHBondContact OD1-CB 3.37Å; N814-E817 WeakPolarHBondContact OD1-CG 3.21Å; N814-E817 PolarHBondContact OD1-N 2.83Å; E815-E817 PolarHBondContact O-N 2.94Å; E817-D819 VanDerWaalsContact C-N 3.3Å; E817-D819 PolarHBondContact O-N 3.42Å; E817-T820 PolarHBondContact O-N 3.05Å; E817-L821 PolarHBondContact O-N 3.22Å; E817-L821 VanDerWaalsContact O-N 3.13Å; E817-Y869 HydrophobicContact CB-CE1 3.87Å; E817-Y869 HydrophobicContact CG-CE1 4.13Å; E817-Y869 PolarHBondContact O-OH 3.21Å; E817-K872 IonicContact OE1-NZ 2.81Å; E817-K872 PolarHBondContact OE1-NZ 2.87Å; E817-K872 IonicContact OE2-NZ 3.85Å; E817-K872 PolarHBondContact OE2-NZ 3.36Å |
| 818 | I | 89.3 | Confident | 82.6 | Confident | 21 Ų | 21 | 62.8 Ų | 62.8 | 11% | 0.108 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 174.8 | -65.5 | 178.3 | 0 | 0 | 0 | 109.5 | L769 M772 V773 F813 N814 E815 T820 R822 | L769-I818 HydrophobicContact CD1-CG2 3.86Å; M772-I818 HydrophobicContact CE-CG1 4.17Å; V773-I818 HydrophobicContact CG2-CD1 4.43Å; V773-I818 HydrophobicContact CG2-CG2 4.19Å; F813-I818 HydrophobicContact CB-CD1 4.09Å; F813-I818 HydrophobicContact CB-CG1 3.81Å; N814-I818 PolarHBondContact O-N 3.26Å; E815-I818 PolarHBondContact O-N 3.21Å; I818-T820 VanDerWaalsContact C-N 3.34Å; I818-R822 WeakPolarHBondContact O-CB 3.48Å; I818-R822 PolarHBondContact O-N 3.3Å |
| 819 | D | 91.4 | Very high | 84.9 | Confident | 54 Ų | 54 | 64.3 Ų | 64.3 | 29% | 0.289 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.3 | -34.7 | 176.2 | -75 | -19.9 | 0 | 0 | 0 | 112.1 | E815 V816 E817 R822 N823 | E815-D819 VanDerWaalsContact O-CB 3.27Å; E815-D819 WeakPolarHBondContact O-CB 3.23Å; E815-D819 VanDerWaalsContact O-CG 3.23Å; E815-D819 PolarHBondContact O-N 3.2Å; V816-D819 PolarHBondContact O-N 3.32Å; E817-D819 VanDerWaalsContact C-N 3.3Å; E817-D819 PolarHBondContact O-N 3.42Å; D819-R822 PolarHBondContact O-N 2.75Å; D819-R822 IonicContact OD1-CZ 3.44Å; D819-R822 IonicContact OD1-NH1 3.7Å; D819-R822 PolarHBondContact OD1-NH1 3.01Å; D819-N823 WeakPolarHBondContact O-CB 3.44Å; D819-N823 PolarHBondContact O-N 3.21Å; D819-N823 PolarHBondContact O-ND2 3.09Å; D819-N823 VanDerWaalsContact O-ND2 3.15Å; D819-N823 PolarHBondContact O-OD1 2.99Å |
| 820 | T | 92.3 | Very high | 87.1 | Confident | 59 Ų | 59 | 64.5 Ų | 64.5 | 36% | 0.362 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.9 | -52 | 177.9 | -62.2 | 0 | 0 | 0 | 0 | 111.1 | V816 E817 I818 N823 K824 | V816-T820 VanDerWaalsContact O-CB 3.32Å; V816-T820 WeakPolarHBondContact O-CB 3.19Å; V816-T820 PolarHBondContact O-N 3.32Å; V816-T820 PolarHBondContact O-OG1 2.81Å; E817-T820 PolarHBondContact O-N 3.05Å; I818-T820 VanDerWaalsContact C-N 3.34Å; T820-N823 PolarHBondContact O-N 3.28Å; T820-K824 WeakPolarHBondContact O-CB 3.28Å; T820-K824 PolarHBondContact O-N 3.2Å |
| 821 | L | 93 | Very high | 89.2 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.3 | -41.1 | 177.4 | -177.9 | 60.9 | 0 | 0 | 0 | 111.3 | A765 T768 L769 M772 E817 K824 M825 L862 E865 Y869 | A765-L821 HydrophobicContact CB-CD1 4.45Å; T768-L821 HydrophobicContact CG2-CD2 3.82Å; L769-L821 HydrophobicContact CB-CD2 4.08Å; L769-L821 HydrophobicContact CD1-CB 4.47Å; L769-L821 HydrophobicContact CD1-CD2 4.41Å; M772-L821 HydrophobicContact SD-CD2 3.55Å; M772-L821 VanDerWaalsContact SD-CD2 3.55Å; E817-L821 PolarHBondContact O-N 3.22Å; E817-L821 VanDerWaalsContact O-N 3.13Å; L821-K824 PolarHBondContact O-N 2.96Å; L821-M825 WeakPolarHBondContact O-CB 3.29Å; L821-M825 PolarHBondContact O-N 3.33Å; L821-L862 HydrophobicContact CD1-CD1 4.36Å; L821-E865 HydrophobicContact CD1-CB 4.2Å; L821-Y869 HydrophobicContact CB-CD2 4.01Å; L821-Y869 HydrophobicContact CB-CE2 3.78Å; L821-Y869 HydrophobicContact CD1-CD2 4.22Å; L821-Y869 HydrophobicContact CD1-CE2 4.45Å; L821-Y869 HydrophobicContact CD2-CD2 3.99Å; L821-Y869 HydrophobicContact CG-CD2 4.29Å; L821-Y869 HydrophobicContact CG-CE2 4.49Å |
| 822 | R | 95.4 | Very high | 91 | Very high | 99 Ų | 99 | 56 Ų | 56 | 37% | 0.374 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.2 | -46.5 | 177.6 | -177.6 | -177.7 | -67.1 | 124.5 | -0.1 | 111.6 | L769 I818 D819 G826 | L769-R822 HydrophobicContact CD1-CB 4.33Å; L769-R822 HydrophobicContact CD2-CB 3.95Å; L769-R822 HydrophobicContact CD2-CG 4.18Å; I818-R822 WeakPolarHBondContact O-CB 3.48Å; I818-R822 PolarHBondContact O-N 3.3Å; D819-R822 PolarHBondContact O-N 2.75Å; D819-R822 IonicContact OD1-CZ 3.44Å; D819-R822 IonicContact OD1-NH1 3.7Å; D819-R822 PolarHBondContact OD1-NH1 3.01Å; R822-G826 PolarHBondContact O-N 3.21Å |
| 823 | N | 94.6 | Very high | 92.2 | Very high | 92 Ų | 92 | 58.7 Ų | 58.7 | 49% | 0.492 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.6 | -47.4 | 178.7 | -68.9 | -17.8 | 0 | 0 | 0 | 110.3 | D819 T820 M825 G826 E827 | D819-N823 WeakPolarHBondContact O-CB 3.44Å; D819-N823 PolarHBondContact O-N 3.21Å; D819-N823 PolarHBondContact O-ND2 3.09Å; D819-N823 VanDerWaalsContact O-ND2 3.15Å; D819-N823 PolarHBondContact O-OD1 2.99Å; T820-N823 PolarHBondContact O-N 3.28Å; N823-M825 VanDerWaalsContact C-N 3.35Å; N823-M825 PolarHBondContact O-N 2.9Å; N823-G826 CarbonylContact O-C 3.56Å; N823-G826 WeakPolarHBondContact O-CA 3.29Å; N823-G826 PolarHBondContact O-N 2.88Å; N823-G826 VanDerWaalsContact O-N 3.11Å; N823-E827 WeakPolarHBondContact O-CB 3.26Å; N823-E827 WeakPolarHBondContact O-CG 3.27Å; N823-E827 PolarHBondContact O-N 3.1Å |
| 824 | K | 94.1 | Very high | 92.8 | Very high | 49 Ų | 49 | 64 Ų | 64 | 21% | 0.213 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.9 | -40.2 | 179 | -168.3 | 69.8 | 177.7 | 178.2 | 0 | 112.6 | T820 L821 S828 E861 L862 E865 | T820-K824 WeakPolarHBondContact O-CB 3.28Å; T820-K824 PolarHBondContact O-N 3.2Å; L821-K824 PolarHBondContact O-N 2.96Å; K824-S828 VanDerWaalsContact O-CB 3.26Å; K824-S828 WeakPolarHBondContact O-CB 3.31Å; K824-S828 PolarHBondContact O-N 3.38Å; K824-S828 PolarHBondContact O-OG 2.81Å; K824-E861 IonicContact NZ-OE2 2.8Å; K824-E861 PolarHBondContact NZ-OE2 3.34Å; K824-L862 HydrophobicContact CG-CD1 4.17Å; K824-E865 HydrophobicContact CG-CG 4.27Å |
| 825 | M | 95.5 | Very high | 93.3 | Very high | 18 Ų | 18 | 61 Ų | 61 | 9% | 0.089 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.9 | -44 | 172.8 | 178.9 | -171.4 | 68.7 | 0 | 0 | 111 | I762 A765 Q766 L769 L821 N823 S828 K829 | I762-M825 HydrophobicContact CG2-CG 4.17Å; A765-M825 HydrophobicContact CB-CB 4.22Å; A765-M825 HydrophobicContact CB-CG 3.96Å; A765-M825 HydrophobicContact CB-SD 4.06Å; Q766-M825 HydrophobicContact CB-SD 3.83Å; L769-M825 HydrophobicContact CD2-CE 3.8Å; L821-M825 WeakPolarHBondContact O-CB 3.29Å; L821-M825 PolarHBondContact O-N 3.33Å; N823-M825 VanDerWaalsContact C-N 3.35Å; N823-M825 PolarHBondContact O-N 2.9Å; M825-S828 PolarHBondContact O-N 3.12Å; M825-K829 VanDerWaalsContact O-CB 3.31Å; M825-K829 WeakPolarHBondContact O-CB 3.27Å; M825-K829 PolarHBondContact O-N 3.17Å |
| 826 | G | 95 | Very high | 93.8 | Very high | 29 Ų | 29 | 55 Ų | 55 | 30% | 0.299 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.4 | -50.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R822 N823 S828 K829 T830 | R822-G826 PolarHBondContact O-N 3.21Å; N823-G826 CarbonylContact O-C 3.56Å; N823-G826 WeakPolarHBondContact O-CA 3.29Å; N823-G826 PolarHBondContact O-N 2.88Å; N823-G826 VanDerWaalsContact O-N 3.11Å; G826-S828 VanDerWaalsContact C-N 3.34Å; G826-S828 PolarHBondContact O-N 2.97Å; G826-K829 PolarHBondContact O-N 3.04Å; G826-T830 WeakPolarHBondContact O-CB 3.44Å; G826-T830 PolarHBondContact O-N 2.77Å; G826-T830 PolarHBondContact O-OG1 2.85Å |
| 827 | E | 95.3 | Very high | 94 | Very high | 116 Ų | 116 | 55.2 Ų | 55.2 | 54% | 0.542 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -56.8 | -45.8 | 173.2 | -73.8 | 172.4 | -169.2 | 0 | 0 | 111.5 | N823 K829 T830 W831 | N823-E827 WeakPolarHBondContact O-CB 3.26Å; N823-E827 WeakPolarHBondContact O-CG 3.27Å; N823-E827 PolarHBondContact O-N 3.1Å; E827-K829 VanDerWaalsContact C-N 3.34Å; E827-K829 PolarHBondContact O-N 2.88Å; E827-T830 PolarHBondContact O-N 3.45Å; E827-W831 WeakPolarHBondContact O-CB 3.44Å; E827-W831 PolarHBondContact O-N 3.01Å |
| 828 | S | 96.4 | Very high | 94.2 | Very high | 9 Ų | 9 | 57.5 Ų | 57.5 | 6% | 0.063 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 179 | -60.3 | 0 | 0 | 0 | 0 | 111.6 | K824 M825 G826 L832 | K824-S828 VanDerWaalsContact O-CB 3.26Å; K824-S828 WeakPolarHBondContact O-CB 3.31Å; K824-S828 PolarHBondContact O-N 3.38Å; K824-S828 PolarHBondContact O-OG 2.81Å; M825-S828 PolarHBondContact O-N 3.12Å; G826-S828 VanDerWaalsContact C-N 3.34Å; G826-S828 PolarHBondContact O-N 2.97Å; S828-L832 WeakPolarHBondContact O-CB 3.06Å; S828-L832 PolarHBondContact O-N 3.34Å |
| 829 | K | 96.1 | Very high | 94.3 | Very high | 137 Ų | 137 | 56.6 Ų | 56.6 | 60% | 0.596 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -67.3 | -45.5 | 177.2 | -174.4 | 177.3 | -178.9 | 177.7 | 0 | 111.7 | I762 M825 G826 E827 A833 | I762-K829 HydrophobicContact CD1-CB 4.29Å; I762-K829 HydrophobicContact CG2-CB 4.48Å; M825-K829 VanDerWaalsContact O-CB 3.31Å; M825-K829 WeakPolarHBondContact O-CB 3.27Å; M825-K829 PolarHBondContact O-N 3.17Å; G826-K829 PolarHBondContact O-N 3.04Å; E827-K829 VanDerWaalsContact C-N 3.34Å; E827-K829 PolarHBondContact O-N 2.88Å; K829-A833 WeakPolarHBondContact O-CB 3.28Å; K829-A833 PolarHBondContact O-N 2.89Å |
| 830 | T | 96 | Very high | 94.2 | Very high | 75 Ų | 75 | 59.7 Ų | 59.7 | 46% | 0.46 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.6 | -50.4 | 176.2 | -60.1 | 0 | 0 | 0 | 0 | 110.5 | G826 E827 L832 A833 E834 | G826-T830 WeakPolarHBondContact O-CB 3.44Å; G826-T830 PolarHBondContact O-N 2.77Å; G826-T830 PolarHBondContact O-OG1 2.85Å; E827-T830 PolarHBondContact O-N 3.45Å; T830-L832 VanDerWaalsContact C-N 3.33Å; T830-L832 PolarHBondContact O-N 3.3Å; T830-A833 PolarHBondContact O-N 3.23Å; T830-A833 VanDerWaalsContact O-N 3.17Å; T830-E834 HydrophobicContact CG2-CG 4.28Å; T830-E834 WeakPolarHBondContact CG2-OE1 3.4Å; T830-E834 WeakPolarHBondContact O-CB 3.31Å; T830-E834 WeakPolarHBondContact O-CG 3.29Å; T830-E834 PolarHBondContact O-N 3.28Å |
| 831 | W | 96.2 | Very high | 94.2 | Very high | 60 Ų | 60 | 64 Ų | 64 | 23% | 0.227 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.6 | -43.5 | 178.4 | -177.5 | 85.5 | 0 | 0 | 0 | 111.6 | F758 E827 S835 I850 T854 I855 K858 | F758-W831 HydrophobicContact CD1-CZ3 4.39Å; F758-W831 AromaticContact CE1-CE3 3.83Å; F758-W831 HydrophobicContact CE1-CE3 3.83Å; F758-W831 AromaticContact CE1-CZ3 3.79Å; F758-W831 HydrophobicContact CE1-CZ3 3.79Å; E827-W831 WeakPolarHBondContact O-CB 3.44Å; E827-W831 PolarHBondContact O-N 3.01Å; W831-S835 WeakPolarHBondContact CZ2-OG 3.33Å; W831-S835 WeakPolarHBondContact O-CA 3.32Å; W831-S835 WeakPolarHBondContact O-CB 3.35Å; W831-S835 PolarHBondContact O-N 2.79Å; W831-S835 PolarHBondContact O-OG 3.05Å; W831-I850 HydrophobicContact CH2-CG2 4.02Å; W831-I850 HydrophobicContact CZ2-CG2 4.17Å; W831-T854 HydrophobicContact CH2-CG2 4.22Å; W831-T854 HydrophobicContact CZ2-CG2 4.04Å; W831-I855 HydrophobicContact CH2-CG1 4.22Å; W831-I855 HydrophobicContact CZ3-CG1 4.47Å; W831-K858 HydrophobicContact CD2-CG 4.12Å; W831-K858 HydrophobicContact CE3-CB 4.12Å; W831-K858 HydrophobicContact CE3-CG 3.97Å; W831-K858 HydrophobicContact CH2-CB 4.17Å; W831-K858 HydrophobicContact CH2-CG 3.69Å; W831-K858 HydrophobicContact CZ2-CG 3.84Å; W831-K858 HydrophobicContact CZ3-CB 3.82Å; W831-K858 HydrophobicContact CZ3-CG 3.76Å |
| 832 | L | 95.8 | Very high | 94 | Very high | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.3 | -40.5 | 177.7 | -176.4 | 58.7 | 0 | 0 | 0 | 111.4 | I755 F758 N759 I762 S828 T830 T836 | I755-L832 HydrophobicContact CG1-CD1 4.28Å; I755-L832 HydrophobicContact CG2-CD1 4.33Å; F758-L832 HydrophobicContact CB-CD2 3.96Å; F758-L832 HydrophobicContact CD1-CB 4.35Å; F758-L832 HydrophobicContact CD1-CD1 3.73Å; F758-L832 HydrophobicContact CD1-CD2 3.93Å; F758-L832 HydrophobicContact CD1-CG 4.22Å; F758-L832 HydrophobicContact CE1-CB 4.35Å; F758-L832 HydrophobicContact CE1-CD1 4.37Å; F758-L832 HydrophobicContact CG-CD1 4.46Å; F758-L832 HydrophobicContact CG-CD2 3.93Å; N759-L832 WeakPolarHBondContact OD1-CD2 3.38Å; I762-L832 HydrophobicContact CD1-CB 4.48Å; I762-L832 HydrophobicContact CD1-CD2 3.77Å; S828-L832 WeakPolarHBondContact O-CB 3.06Å; S828-L832 PolarHBondContact O-N 3.34Å; T830-L832 VanDerWaalsContact C-N 3.33Å; T830-L832 PolarHBondContact O-N 3.3Å; L832-T836 VanDerWaalsContact O-CB 3.23Å; L832-T836 WeakPolarHBondContact O-CB 3.26Å; L832-T836 PolarHBondContact O-N 3.28Å; L832-T836 PolarHBondContact O-OG1 2.91Å |
| 833 | A | 94.3 | Very high | 93.8 | Very high | 60 Ų | 60 | 62.3 Ų | 62.3 | 50% | 0.496 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.7 | -49.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K829 T830 S835 T836 E837 | K829-A833 WeakPolarHBondContact O-CB 3.28Å; K829-A833 PolarHBondContact O-N 2.89Å; T830-A833 PolarHBondContact O-N 3.23Å; T830-A833 VanDerWaalsContact O-N 3.17Å; A833-S835 PolarHBondContact O-N 3.41Å; A833-T836 PolarHBondContact O-N 3Å; A833-E837 WeakPolarHBondContact O-CB 3.36Å; A833-E837 PolarHBondContact O-N 3.14Å |
| 834 | E | 94.7 | Very high | 93.6 | Very high | 114 Ų | 114 | 60.9 Ų | 60.9 | 53% | 0.533 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 176.5 | -70.9 | 174.6 | 175.2 | 0 | 0 | 111.3 | T830 T836 E837 V838 | T830-E834 HydrophobicContact CG2-CG 4.28Å; T830-E834 WeakPolarHBondContact CG2-OE1 3.4Å; T830-E834 WeakPolarHBondContact O-CB 3.31Å; T830-E834 WeakPolarHBondContact O-CG 3.29Å; T830-E834 PolarHBondContact O-N 3.28Å; E834-T836 PolarHBondContact O-N 3.39Å; E834-E837 PolarHBondContact O-N 3.37Å; E834-V838 VanDerWaalsContact O-CG2 3.3Å; E834-V838 WeakPolarHBondContact O-CG2 3.47Å; E834-V838 PolarHBondContact O-N 2.99Å |
| 835 | S | 93.9 | Very high | 93.4 | Very high | 5 Ų | 5 | 63.8 Ų | 63.8 | 4% | 0.035 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 177.3 | -63.8 | 0 | 0 | 0 | 0 | 111.6 | W831 A833 V838 L839 I850 | W831-S835 WeakPolarHBondContact CZ2-OG 3.33Å; W831-S835 WeakPolarHBondContact O-CA 3.32Å; W831-S835 WeakPolarHBondContact O-CB 3.35Å; W831-S835 PolarHBondContact O-N 2.79Å; W831-S835 PolarHBondContact O-OG 3.05Å; A833-S835 PolarHBondContact O-N 3.41Å; S835-V838 PolarHBondContact O-N 3.24Å; S835-L839 VanDerWaalsContact O-CB 3.22Å; S835-L839 WeakPolarHBondContact O-CB 3.39Å; S835-L839 WeakPolarHBondContact O-CD1 3.4Å; S835-L839 WeakPolarHBondContact O-CG 3.4Å; S835-L839 PolarHBondContact O-N 3.43Å; S835-I850 VanDerWaalsContact OG-CD1 3.29Å; S835-I850 WeakPolarHBondContact OG-CD1 3.35Å |
| 836 | T | 92.9 | Very high | 93.2 | Very high | 30 Ų | 30 | 68.1 Ų | 68.1 | 18% | 0.184 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.9 | -42.3 | 176.5 | -57 | 0 | 0 | 0 | 0 | 110.2 | I755 L832 A833 E834 V838 L839 D840 | I755-T836 HydrophobicContact CD1-CG2 4.17Å; L832-T836 VanDerWaalsContact O-CB 3.23Å; L832-T836 WeakPolarHBondContact O-CB 3.26Å; L832-T836 PolarHBondContact O-N 3.28Å; L832-T836 PolarHBondContact O-OG1 2.91Å; A833-T836 PolarHBondContact O-N 3Å; E834-T836 PolarHBondContact O-N 3.39Å; T836-V838 PolarHBondContact O-N 3.44Å; T836-L839 PolarHBondContact O-N 3.15Å; T836-D840 WeakPolarHBondContact O-CB 3.31Å; T836-D840 PolarHBondContact O-N 3.25Å |
| 837 | E | 93 | Very high | 93 | Very high | 104 Ų | 104 | 70.8 Ų | 70.8 | 49% | 0.486 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 176.4 | -174.2 | 178 | 179.8 | 0 | 0 | 112.5 | A833 E834 K841 | A833-E837 WeakPolarHBondContact O-CB 3.36Å; A833-E837 PolarHBondContact O-N 3.14Å; E834-E837 PolarHBondContact O-N 3.37Å; E837-K841 HydrophobicContact CG-CD 4.39Å; E837-K841 WeakPolarHBondContact O-CG 3.45Å; E837-K841 PolarHBondContact O-N 3.01Å; E837-K841 WeakPolarHBondContact OE1-CE 3.5Å; E837-K841 IonicContact OE1-NZ 3.02Å; E837-K841 PolarHBondContact OE1-NZ 2.83Å |
| 838 | V | 92.9 | Very high | 92.8 | Very high | 73 Ų | 73 | 65.7 Ų | 65.7 | 44% | 0.442 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 174.2 | 169.9 | 0 | 0 | 0 | 0 | 110.7 | E834 S835 T836 K841 S842 P849 | E834-V838 VanDerWaalsContact O-CG2 3.3Å; E834-V838 WeakPolarHBondContact O-CG2 3.47Å; E834-V838 PolarHBondContact O-N 2.99Å; S835-V838 PolarHBondContact O-N 3.24Å; T836-V838 PolarHBondContact O-N 3.44Å; V838-K841 PolarHBondContact O-N 3.1Å; V838-S842 WeakPolarHBondContact O-CB 3.38Å; V838-S842 PolarHBondContact O-N 3.28Å; V838-P849 HydrophobicContact CG1-CB 4.27Å; V838-P849 HydrophobicContact CG1-CG 3.55Å |
| 839 | L | 92.5 | Very high | 92.6 | Very high | 2 Ų | 2 | 69.2 Ų | 69.2 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -69 | -36 | 179.2 | -76.4 | 170.4 | 0 | 0 | 0 | 113 | R751 S835 T836 K841 S842 P848 P849 I850 I855 | R751-L839 HydrophobicContact CG-CD1 4.33Å; R751-L839 PolarHBondContact NH1-O 3.27Å; S835-L839 VanDerWaalsContact O-CB 3.22Å; S835-L839 WeakPolarHBondContact O-CB 3.39Å; S835-L839 WeakPolarHBondContact O-CD1 3.4Å; S835-L839 WeakPolarHBondContact O-CG 3.4Å; S835-L839 PolarHBondContact O-N 3.43Å; T836-L839 PolarHBondContact O-N 3.15Å; L839-K841 VanDerWaalsContact C-N 3.3Å; L839-S842 PolarHBondContact O-N 3.33Å; L839-S842 PolarHBondContact O-OG 3.03Å; L839-P848 HydrophobicContact CD2-CB 4.09Å; L839-P849 HydrophobicContact CD2-CG 4.45Å; L839-I850 HydrophobicContact CD1-CB 4.24Å; L839-I850 HydrophobicContact CD2-CB 4.1Å; L839-I850 WeakPolarHBondContact CD2-O 3.5Å; L839-I850 HydrophobicContact CG-CB 4.27Å; L839-I855 HydrophobicContact CD1-CD1 4.12Å |
| 840 | D | 89.5 | Confident | 92.4 | Very high | 118 Ų | 118 | 64 Ų | 64 | 63% | 0.631 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -71.1 | -28 | 177.6 | -73 | -14.2 | 0 | 0 | 0 | 111.9 | T836 | T836-D840 WeakPolarHBondContact O-CB 3.31Å; T836-D840 PolarHBondContact O-N 3.25Å |
| 841 | K | 91 | Very high | 92.3 | Very high | 150 Ų | 150 | 63.4 Ų | 63.4 | 65% | 0.652 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -87.5 | -15.7 | 173.8 | -66.8 | 175 | -170.3 | 171.1 | 0 | 113.5 | E837 V838 L839 | E837-K841 HydrophobicContact CG-CD 4.39Å; E837-K841 WeakPolarHBondContact O-CG 3.45Å; E837-K841 PolarHBondContact O-N 3.01Å; E837-K841 WeakPolarHBondContact OE1-CE 3.5Å; E837-K841 IonicContact OE1-NZ 3.02Å; E837-K841 PolarHBondContact OE1-NZ 2.83Å; V838-K841 PolarHBondContact O-N 3.1Å; L839-K841 VanDerWaalsContact C-N 3.3Å |
| 842 | S | 89.2 | Confident | 92.2 | Very high | 21 Ų | 21 | 61.2 Ų | 61.2 | 15% | 0.147 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -69.6 | 133.7 | -177.5 | 66.7 | 0 | 0 | 0 | 0 | 111.5 | V838 L839 | V838-S842 WeakPolarHBondContact O-CB 3.38Å; V838-S842 PolarHBondContact O-N 3.28Å; L839-S842 PolarHBondContact O-N 3.33Å; L839-S842 PolarHBondContact O-OG 3.03Å |
| 843 | P | 90.6 | Very high | 92.2 | Very high | 42 Ų | 42 | 64 Ų | 64 | 27% | 0.273 | 35% | 0.346 | S | S | . | . | trans | -60.6 | 138.3 | 173.7 | -20.4 | 31.7 | 0 | 0 | 0 | 111.3 | Y845 E846 | P843-Y845 HydrophobicContact CB-CD1 4.14Å; P843-Y845 HydrophobicContact CB-CD2 4.02Å; P843-Y845 HydrophobicContact CB-CE1 3.75Å; P843-Y845 HydrophobicContact CB-CE2 3.6Å; P843-Y845 HydrophobicContact CB-CG 4.27Å; P843-Y845 VanDerWaalsContact CB-CZ 3.47Å; P843-Y845 HydrophobicContact CG-CE2 4.3Å; P843-Y845 PolarHBondContact O-N 3.27Å; P843-E846 HydrophobicContact CB-CB 4.37Å; P843-E846 HydrophobicContact CB-CG 4.23Å; P843-E846 HydrophobicContact CG-CG 4.41Å; P843-E846 PolarHBondContact O-N 3.45Å | ||
| 844 | T | 90.5 | Very high | 92.3 | Very high | 63 Ų | 63 | 64 Ų | 64 | 39% | 0.387 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -16.4 | -178.8 | 52.4 | 0 | 0 | 0 | 0 | 113.5 | K694 Y695 I748 | K694-T844 WeakPolarHBondContact O-CB 3.5Å; K694-T844 PolarHBondContact O-OG1 2.92Å; Y695-T844 WeakPolarHBondContact CA-O 3.36Å; I748-T844 HydrophobicContact CD1-CG2 4.01Å |
| 845 | Y | 90.8 | Very high | 92.3 | Very high | 109 Ų | 109 | 58.6 Ų | 58.6 | 43% | 0.427 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -2.7 | 177.8 | 53.2 | -101.5 | 0 | 0 | 0 | 113.9 | Y695 R744 P843 | Y695-Y845 WeakPolarHBondContact O-CA 3.4Å; R744-Y845 PolarHBondContact NE-O 3.34Å; R744-Y845 PolarHBondContact NH1-O 2.9Å; P843-Y845 HydrophobicContact CB-CD1 4.14Å; P843-Y845 HydrophobicContact CB-CD2 4.02Å; P843-Y845 HydrophobicContact CB-CE1 3.75Å; P843-Y845 HydrophobicContact CB-CE2 3.6Å; P843-Y845 HydrophobicContact CB-CG 4.27Å; P843-Y845 VanDerWaalsContact CB-CZ 3.47Å; P843-Y845 HydrophobicContact CG-CE2 4.3Å; P843-Y845 PolarHBondContact O-N 3.27Å |
| 846 | E | 91.2 | Very high | 92.4 | Very high | 109 Ų | 109 | 63.3 Ų | 63.3 | 51% | 0.509 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -103.9 | 160 | 171.7 | -70.4 | -178.9 | -174 | 0 | 0 | 110.1 | R744 P843 | R744-E846 VanDerWaalsContact CD-C 3.41Å; R744-E846 WeakPolarHBondContact CD-O 3.32Å; P843-E846 HydrophobicContact CB-CB 4.37Å; P843-E846 HydrophobicContact CB-CG 4.23Å; P843-E846 HydrophobicContact CG-CG 4.41Å; P843-E846 PolarHBondContact O-N 3.45Å |
| 847 | D | 90.6 | Very high | 92.6 | Very high | 85 Ų | 85 | 65.1 Ų | 65.1 | 46% | 0.455 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 128.8 | 173.3 | -80.2 | -24.5 | 0 | 0 | 0 | 109.8 | R743 | R743-D847 IonicContact CZ-OD1 3.32Å; R743-D847 IonicContact CZ-OD2 3.84Å; R743-D847 IonicContact NE-OD1 2.8Å; R743-D847 IonicContact NH2-OD1 2.95Å; R743-D847 PolarHBondContact NH2-OD1 2.83Å; R743-D847 IonicContact NH2-OD2 2.89Å; R743-D847 PolarHBondContact NH2-OD2 3.45Å |
| 848 | P | 90 | Very high | 92.7 | Very high | 10 Ų | 10 | 63.3 Ų | 63.3 | 7% | 0.065 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 131.5 | -178.8 | 22.8 | -29.9 | 0 | 0 | 0 | 109 | E747 L839 I850 L851 | E747-P848 HydrophobicContact CB-CG 3.97Å; E747-P848 HydrophobicContact CG-CG 4.19Å; L839-P848 HydrophobicContact CD2-CB 4.09Å; P848-I850 PolarHBondContact O-N 2.9Å; P848-L851 HydrophobicContact CG-CD2 4.07Å |
| 849 | P | 92.1 | Very high | 92.9 | Very high | 83 Ų | 83 | 61.1 Ų | 61.1 | 54% | 0.539 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -63 | -19 | -177.4 | 25.1 | -35.1 | 0 | 0 | 0 | 112.4 | V838 L839 | V838-P849 HydrophobicContact CG1-CB 4.27Å; V838-P849 HydrophobicContact CG1-CG 3.55Å; L839-P849 HydrophobicContact CD2-CG 4.45Å |
| 850 | I | 93.1 | Very high | 93.1 | Very high | 27 Ų | 27 | 64.7 Ų | 64.7 | 14% | 0.138 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -132.2 | 118.5 | 179.1 | -53.5 | 174.7 | 0 | 0 | 0 | 107.9 | W831 S835 L839 P848 T854 I855 | W831-I850 HydrophobicContact CH2-CG2 4.02Å; W831-I850 HydrophobicContact CZ2-CG2 4.17Å; S835-I850 VanDerWaalsContact OG-CD1 3.29Å; S835-I850 WeakPolarHBondContact OG-CD1 3.35Å; L839-I850 HydrophobicContact CD1-CB 4.24Å; L839-I850 HydrophobicContact CD2-CB 4.1Å; L839-I850 WeakPolarHBondContact CD2-O 3.5Å; L839-I850 HydrophobicContact CG-CB 4.27Å; P848-I850 PolarHBondContact O-N 2.9Å; I850-T854 HydrophobicContact CG2-CG2 4.14Å; I850-I855 HydrophobicContact CG2-CG1 4.05Å |
| 851 | L | 94.5 | Very high | 93.4 | Very high | 62 Ų | 62 | 62.1 Ų | 62.1 | 33% | 0.325 | 34% | 0.335 | S | S | . | . | trans | -79.9 | 154.5 | 178.1 | -56.5 | -178.9 | 0 | 0 | 0 | 111 | E747 P848 S853 T854 I855 | E747-L851 HydrophobicContact CG-CD2 4.43Å; P848-L851 HydrophobicContact CG-CD2 4.07Å; L851-S853 WeakPolarHBondContact CB-OG 3.39Å; L851-S853 PolarHBondContact O-N 3.31Å; L851-T854 WeakPolarHBondContact O-CA 3.5Å; L851-T854 VanDerWaalsContact O-CB 3.31Å; L851-T854 WeakPolarHBondContact O-CB 3.48Å; L851-T854 PolarHBondContact O-N 3.5Å; L851-I855 PolarHBondContact O-N 2.93Å | ||
| 852 | V | 94 | Very high | 93.7 | Very high | 15 Ų | 15 | 55 Ų | 55 | 9% | 0.091 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -55.2 | -37.3 | 171.5 | 166.2 | 0 | 0 | 0 | 0 | 111.2 | E747 H750 R751 A754 T854 I855 Q856 | E747-V852 WeakPolarHBondContact O-CG2 3.4Å; E747-V852 WeakPolarHBondContact OE2-CB 3.31Å; E747-V852 VanDerWaalsContact OE2-CG2 3.24Å; E747-V852 WeakPolarHBondContact OE2-CG2 3.29Å; E747-V852 PolarHBondContact OE2-N 3.11Å; H750-V852 HydrophobicContact CB-CG1 4.43Å; H750-V852 HydrophobicContact CB-CG2 4.11Å; R751-V852 HydrophobicContact CB-CG2 4.49Å; A754-V852 HydrophobicContact CB-CG1 3.97Å; V852-T854 VanDerWaalsContact C-N 3.29Å; V852-T854 PolarHBondContact O-N 3.48Å; V852-I855 PolarHBondContact O-N 3.28Å; V852-Q856 HydrophobicContact CG1-CG 4.34Å; V852-Q856 WeakPolarHBondContact O-CG 3.33Å; V852-Q856 PolarHBondContact O-N 2.79Å |
| 853 | S | 94.9 | Very high | 94 | Very high | 63 Ų | 63 | 55.5 Ų | 55.5 | 44% | 0.441 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.9 | -36 | 175 | 57 | 0 | 0 | 0 | 0 | 112.8 | L851 S857 | L851-S853 WeakPolarHBondContact CB-OG 3.39Å; L851-S853 PolarHBondContact O-N 3.31Å; S853-S857 WeakPolarHBondContact O-CB 3.38Å; S853-S857 PolarHBondContact O-N 3.42Å |
| 854 | T | 96 | Very high | 94.2 | Very high | 59 Ų | 59 | 62.8 Ų | 62.8 | 36% | 0.362 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.6 | -42.6 | 175.2 | -53.5 | 0 | 0 | 0 | 0 | 111.3 | W831 I850 L851 V852 S857 K858 | W831-T854 HydrophobicContact CH2-CG2 4.22Å; W831-T854 HydrophobicContact CZ2-CG2 4.04Å; I850-T854 HydrophobicContact CG2-CG2 4.14Å; L851-T854 WeakPolarHBondContact O-CA 3.5Å; L851-T854 VanDerWaalsContact O-CB 3.31Å; L851-T854 WeakPolarHBondContact O-CB 3.48Å; L851-T854 PolarHBondContact O-N 3.5Å; V852-T854 VanDerWaalsContact C-N 3.29Å; V852-T854 PolarHBondContact O-N 3.48Å; T854-S857 WeakPolarHBondContact O-CB 3.5Å; T854-S857 PolarHBondContact O-N 3.5Å; T854-K858 PolarHBondContact O-N 2.97Å |
| 855 | I | 95.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.7 | -47.4 | 175.9 | -59.7 | 175.6 | 0 | 0 | 0 | 110.1 | A754 I755 F758 W831 L839 I850 L851 V852 S857 K858 E859 | A754-I855 HydrophobicContact CB-CB 4.37Å; A754-I855 HydrophobicContact CB-CD1 4.5Å; A754-I855 HydrophobicContact CB-CG2 4.01Å; I755-I855 HydrophobicContact CG1-CD1 4.19Å; F758-I855 HydrophobicContact CB-CG2 4.37Å; F758-I855 HydrophobicContact CD1-CG2 3.91Å; W831-I855 HydrophobicContact CH2-CG1 4.22Å; W831-I855 HydrophobicContact CZ3-CG1 4.47Å; L839-I855 HydrophobicContact CD1-CD1 4.12Å; I850-I855 HydrophobicContact CG2-CG1 4.05Å; L851-I855 PolarHBondContact O-N 2.93Å; V852-I855 PolarHBondContact O-N 3.28Å; I855-S857 VanDerWaalsContact C-N 3.32Å; I855-S857 PolarHBondContact O-N 3.15Å; I855-K858 PolarHBondContact O-N 3.27Å; I855-E859 PolarHBondContact O-N 3.37Å |
| 856 | Q | 96.1 | Very high | 94.6 | Very high | 103 Ų | 103 | 57.3 Ų | 57.3 | 48% | 0.481 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.6 | -38 | 177.6 | -71.4 | 172.1 | -22.1 | 0 | 0 | 112.3 | V852 E859 S860 | V852-Q856 HydrophobicContact CG1-CG 4.34Å; V852-Q856 WeakPolarHBondContact O-CG 3.33Å; V852-Q856 PolarHBondContact O-N 2.79Å; Q856-E859 PolarHBondContact O-N 3.33Å; Q856-S860 WeakPolarHBondContact O-CB 3.45Å; Q856-S860 PolarHBondContact O-N 3.03Å |
| 857 | S | 96.5 | Very high | 94.7 | Very high | 69 Ų | 69 | 56.9 Ų | 56.9 | 48% | 0.483 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 174.1 | -173.1 | 0 | 0 | 0 | 0 | 111.4 | S853 T854 I855 S860 E861 | S853-S857 WeakPolarHBondContact O-CB 3.38Å; S853-S857 PolarHBondContact O-N 3.42Å; T854-S857 WeakPolarHBondContact O-CB 3.5Å; T854-S857 PolarHBondContact O-N 3.5Å; I855-S857 VanDerWaalsContact C-N 3.32Å; I855-S857 PolarHBondContact O-N 3.15Å; S857-S860 WeakPolarHBondContact O-CB 3.25Å; S857-S860 PolarHBondContact O-N 2.88Å; S857-E861 PolarHBondContact O-N 3.36Å; S857-E861 VanDerWaalsContact O-N 3.16Å |
| 858 | K | 96.5 | Very high | 94.9 | Very high | 66 Ų | 66 | 58.7 Ų | 58.7 | 29% | 0.287 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.1 | -39.7 | 177.8 | -74.9 | -66.4 | 178.7 | -159 | 0 | 113.1 | F758 W831 T854 I855 S860 E861 L862 | F758-K858 HydrophobicContact CE1-CB 3.62Å; F758-K858 HydrophobicContact CZ-CB 3.81Å; W831-K858 HydrophobicContact CD2-CG 4.12Å; W831-K858 HydrophobicContact CE3-CB 4.12Å; W831-K858 HydrophobicContact CE3-CG 3.97Å; W831-K858 HydrophobicContact CH2-CB 4.17Å; W831-K858 HydrophobicContact CH2-CG 3.69Å; W831-K858 HydrophobicContact CZ2-CG 3.84Å; W831-K858 HydrophobicContact CZ3-CB 3.82Å; W831-K858 HydrophobicContact CZ3-CG 3.76Å; T854-K858 PolarHBondContact O-N 2.97Å; I855-K858 PolarHBondContact O-N 3.27Å; K858-S860 VanDerWaalsContact C-N 3.31Å; K858-S860 PolarHBondContact O-N 3.38Å; K858-E861 IonicContact NZ-OE1 3.16Å; K858-E861 PolarHBondContact NZ-OE1 3.31Å; K858-E861 IonicContact NZ-OE2 3.99Å; K858-E861 PolarHBondContact NZ-OE2 2.9Å; K858-E861 WeakPolarHBondContact O-CB 3.43Å; K858-E861 PolarHBondContact O-N 3.02Å; K858-L862 PolarHBondContact O-N 3.5Å |
| 859 | E | 97 | Very high | 95 | Very high | 26 Ų | 26 | 58.6 Ų | 58.6 | 12% | 0.121 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56.4 | -47.3 | 171 | 179.8 | -179.4 | -160.8 | 0 | 0 | 111 | S757 F758 T761 I855 Q856 E861 L862 S863 | S757-E859 VanDerWaalsContact C-OE1 3.25Å; S757-E859 WeakPolarHBondContact CB-OE1 2.99Å; S757-E859 PolarHBondContact OG-OE1 2.98Å; S757-E859 PolarHBondContact OG-OE2 2.7Å; F758-E859 HydrophobicContact CB-CB 4.25Å; F758-E859 HydrophobicContact CB-CG 4.41Å; F758-E859 HydrophobicContact CD1-CB 4.37Å; F758-E859 HydrophobicContact CD2-CB 3.77Å; F758-E859 HydrophobicContact CD2-CG 4.03Å; F758-E859 HydrophobicContact CE2-CB 4.19Å; F758-E859 HydrophobicContact CG-CB 3.89Å; F758-E859 HydrophobicContact CG-CG 4.35Å; T761-E859 HydrophobicContact CG2-CG 4.16Å; T761-E859 PolarHBondContact OG1-OE1 2.98Å; I855-E859 PolarHBondContact O-N 3.37Å; Q856-E859 PolarHBondContact O-N 3.33Å; E859-E861 VanDerWaalsContact C-N 3.32Å; E859-E861 PolarHBondContact O-N 3.41Å; E859-L862 PolarHBondContact O-N 3.47Å; E859-L862 VanDerWaalsContact O-N 3.12Å; E859-S863 PolarHBondContact O-N 3.35Å; E859-S863 PolarHBondContact O-OG 3.28Å; E859-S863 VanDerWaalsContact O-OG 3.12Å |
| 860 | S | 96.5 | Very high | 95 | Very high | 77 Ų | 77 | 56.8 Ų | 56.8 | 54% | 0.538 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.8 | -37.5 | 179.9 | -168.8 | 0 | 0 | 0 | 0 | 113.1 | Q856 S857 K858 L862 S863 R864 | Q856-S860 WeakPolarHBondContact O-CB 3.45Å; Q856-S860 PolarHBondContact O-N 3.03Å; S857-S860 WeakPolarHBondContact O-CB 3.25Å; S857-S860 PolarHBondContact O-N 2.88Å; K858-S860 VanDerWaalsContact C-N 3.31Å; K858-S860 PolarHBondContact O-N 3.38Å; S860-L862 PolarHBondContact O-N 2.89Å; S860-S863 PolarHBondContact O-N 3.05Å; S860-R864 WeakPolarHBondContact O-CB 3.43Å; S860-R864 PolarHBondContact O-N 3.42Å |
| 861 | E | 95.7 | Very high | 94.9 | Very high | 64 Ų | 64 | 59.6 Ų | 59.6 | 30% | 0.299 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.4 | -46.1 | 173.6 | -69.4 | 177.5 | -149.8 | 0 | 0 | 111.6 | K824 S857 K858 E859 R864 | K824-E861 IonicContact NZ-OE2 2.8Å; K824-E861 PolarHBondContact NZ-OE2 3.34Å; S857-E861 PolarHBondContact O-N 3.36Å; S857-E861 VanDerWaalsContact O-N 3.16Å; K858-E861 IonicContact NZ-OE1 3.16Å; K858-E861 PolarHBondContact NZ-OE1 3.31Å; K858-E861 IonicContact NZ-OE2 3.99Å; K858-E861 PolarHBondContact NZ-OE2 2.9Å; K858-E861 WeakPolarHBondContact O-CB 3.43Å; K858-E861 PolarHBondContact O-N 3.02Å; E859-E861 VanDerWaalsContact C-N 3.32Å; E859-E861 PolarHBondContact O-N 3.41Å; E861-R864 PolarHBondContact O-N 2.92Å |
| 862 | L | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -70.4 | -42.8 | 178.8 | -178.9 | 60.4 | 0 | 0 | 0 | 111.6 | F758 T761 I762 A765 L821 K824 K858 E859 S860 R864 E865 I866 | F758-L862 HydrophobicContact CE2-CB 4.33Å; F758-L862 HydrophobicContact CE2-CD2 4.1Å; T761-L862 HydrophobicContact CG2-CB 4.26Å; T761-L862 HydrophobicContact CG2-CD2 4.03Å; T761-L862 HydrophobicContact CG2-CG 4.09Å; I762-L862 HydrophobicContact CG1-CD2 3.77Å; A765-L862 HydrophobicContact CB-CD1 4.02Å; A765-L862 HydrophobicContact CB-CD2 4.11Å; A765-L862 HydrophobicContact CB-CG 4.28Å; L821-L862 HydrophobicContact CD1-CD1 4.36Å; K824-L862 HydrophobicContact CG-CD1 4.17Å; K858-L862 PolarHBondContact O-N 3.5Å; E859-L862 PolarHBondContact O-N 3.47Å; E859-L862 VanDerWaalsContact O-N 3.12Å; S860-L862 PolarHBondContact O-N 2.89Å; L862-R864 PolarHBondContact O-N 2.88Å; L862-E865 PolarHBondContact O-N 3.44Å; L862-E865 VanDerWaalsContact O-N 3.11Å; L862-I866 HydrophobicContact CG-CD1 4.15Å; L862-I866 HydrophobicContact CG-CG1 4.48Å; L862-I866 WeakPolarHBondContact O-CG1 3.27Å; L862-I866 PolarHBondContact O-N 3.28Å |
| 863 | S | 95.9 | Very high | 94.3 | Very high | 33 Ų | 33 | 58.2 Ų | 58.2 | 23% | 0.231 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.4 | -35.6 | 176.1 | -58.8 | 0 | 0 | 0 | 0 | 112.3 | T761 E859 S860 I866 N867 | T761-S863 WeakPolarHBondContact CG2-OG 3.28Å; E859-S863 PolarHBondContact O-N 3.35Å; E859-S863 PolarHBondContact O-OG 3.28Å; E859-S863 VanDerWaalsContact O-OG 3.12Å; S860-S863 PolarHBondContact O-N 3.05Å; S863-I866 PolarHBondContact O-N 2.7Å; S863-N867 WeakPolarHBondContact O-CB 3.38Å; S863-N867 PolarHBondContact O-N 3.4Å; S863-N867 PolarHBondContact O-ND2 2.93Å |
| 864 | R | 95.3 | Very high | 94 | Very high | 195 Ų | 195 | 59.4 Ų | 59.4 | 74% | 0.736 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -61.8 | -44.3 | 176 | -175.3 | -179.2 | 175.1 | -175.8 | -2.5 | 112 | S860 E861 L862 N867 Y868 | S860-R864 WeakPolarHBondContact O-CB 3.43Å; S860-R864 PolarHBondContact O-N 3.42Å; E861-R864 PolarHBondContact O-N 2.92Å; L862-R864 PolarHBondContact O-N 2.88Å; R864-N867 PolarHBondContact O-N 3.43Å; R864-Y868 PolarHBondContact O-N 3.34Å; R864-Y868 VanDerWaalsContact O-N 3.11Å |
| 865 | E | 93.6 | Very high | 93.4 | Very high | 54 Ų | 54 | 62.3 Ų | 62.3 | 25% | 0.252 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.7 | -45.1 | 176.6 | -67.4 | -57.8 | 142.3 | 0 | 0 | 111.7 | L821 K824 L862 N867 Y868 Y869 | L821-E865 HydrophobicContact CD1-CB 4.2Å; K824-E865 HydrophobicContact CG-CG 4.27Å; L862-E865 PolarHBondContact O-N 3.44Å; L862-E865 VanDerWaalsContact O-N 3.11Å; E865-N867 VanDerWaalsContact C-N 3.27Å; E865-N867 PolarHBondContact O-N 3Å; E865-Y868 WeakPolarHBondContact O-CB 3.07Å; E865-Y868 PolarHBondContact O-N 2.91Å; E865-Y868 VanDerWaalsContact O-N 3.17Å; E865-Y869 WeakPolarHBondContact O-CD2 3.42Å; E865-Y869 PolarHBondContact O-N 2.82Å; E865-Y869 VanDerWaalsContact O-N 3.08Å |
| 866 | I | 94.9 | Very high | 92.7 | Very high | 2 Ų | 2 | 64.7 Ų | 64.7 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -54.4 | -46.7 | 175.3 | -66.4 | 170.7 | 0 | 0 | 0 | 110.6 | T761 L764 A765 L862 S863 Y868 Y869 T870 | T761-I866 HydrophobicContact CG2-CD1 3.82Å; T761-I866 VanDerWaalsContact O-CD1 3.3Å; T761-I866 WeakPolarHBondContact O-CD1 3.49Å; L764-I866 HydrophobicContact CB-CD1 4.2Å; L764-I866 HydrophobicContact CD2-CD1 4.19Å; L764-I866 HydrophobicContact CD2-CG2 3.91Å; L764-I866 HydrophobicContact CG-CD1 4.13Å; L764-I866 HydrophobicContact CG-CG2 3.94Å; A765-I866 HydrophobicContact CB-CD1 3.79Å; A765-I866 HydrophobicContact CB-CG1 3.91Å; L862-I866 HydrophobicContact CG-CD1 4.15Å; L862-I866 HydrophobicContact CG-CG1 4.48Å; L862-I866 WeakPolarHBondContact O-CG1 3.27Å; L862-I866 PolarHBondContact O-N 3.28Å; S863-I866 PolarHBondContact O-N 2.7Å; I866-Y868 PolarHBondContact O-N 3.5Å; I866-Y869 PolarHBondContact O-N 3.09Å; I866-T870 VanDerWaalsContact O-CB 3.26Å; I866-T870 WeakPolarHBondContact O-CB 3.36Å; I866-T870 PolarHBondContact O-N 3.39Å; I866-T870 PolarHBondContact O-OG1 2.68Å |
| 867 | N | 93.8 | Very high | 92.1 | Very high | 100 Ų | 100 | 64.9 Ų | 64.9 | 54% | 0.535 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.3 | -39.6 | -179 | -75.4 | -23.9 | 0 | 0 | 0 | 112.2 | S863 R864 E865 T871 | S863-N867 WeakPolarHBondContact O-CB 3.38Å; S863-N867 PolarHBondContact O-N 3.4Å; S863-N867 PolarHBondContact O-ND2 2.93Å; R864-N867 PolarHBondContact O-N 3.43Å; E865-N867 VanDerWaalsContact C-N 3.27Å; E865-N867 PolarHBondContact O-N 3Å; N867-T871 WeakPolarHBondContact O-CB 3.35Å; N867-T871 PolarHBondContact O-N 3.42Å; N867-T871 PolarHBondContact O-OG1 3.22Å |
| 868 | Y | 93.9 | Very high | 91.3 | Very high | 124 Ų | 124 | 65.6 Ų | 65.6 | 49% | 0.486 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.8 | -52.8 | 174.8 | 174.5 | -100.7 | 0 | 0 | 0 | 111.3 | R864 E865 I866 T871 K872 | R864-Y868 PolarHBondContact O-N 3.34Å; R864-Y868 VanDerWaalsContact O-N 3.11Å; E865-Y868 WeakPolarHBondContact O-CB 3.07Å; E865-Y868 PolarHBondContact O-N 2.91Å; E865-Y868 VanDerWaalsContact O-N 3.17Å; I866-Y868 PolarHBondContact O-N 3.5Å; Y868-T871 PolarHBondContact O-N 3.4Å; Y868-K872 PolarHBondContact O-N 2.82Å |
| 869 | Y | 93.7 | Very high | 90.3 | Very high | 8 Ų | 8 | 64.2 Ų | 64.2 | 3% | 0.031 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -71.3 | -34.2 | -177.9 | -66.8 | -62.4 | 0 | 0 | 0 | 113.5 | M772 F813 E817 L821 E865 I866 T871 K872 M873 | M772-Y869 HydrophobicContact CE-CD1 3.57Å; M772-Y869 HydrophobicContact CE-CD2 4.44Å; M772-Y869 HydrophobicContact CE-CE1 3.89Å; M772-Y869 HydrophobicContact CE-CG 3.87Å; M772-Y869 HydrophobicContact SD-CD1 4.06Å; M772-Y869 HydrophobicContact SD-CD2 4.31Å; M772-Y869 HydrophobicContact SD-CG 3.76Å; F813-Y869 HydrophobicContact CD1-CD1 4.24Å; F813-Y869 HydrophobicContact CE1-CD1 4.07Å; E817-Y869 HydrophobicContact CB-CE1 3.87Å; E817-Y869 HydrophobicContact CG-CE1 4.13Å; E817-Y869 PolarHBondContact O-OH 3.21Å; L821-Y869 HydrophobicContact CB-CD2 4.01Å; L821-Y869 HydrophobicContact CB-CE2 3.78Å; L821-Y869 HydrophobicContact CD1-CD2 4.22Å; L821-Y869 HydrophobicContact CD1-CE2 4.45Å; L821-Y869 HydrophobicContact CD2-CD2 3.99Å; L821-Y869 HydrophobicContact CG-CD2 4.29Å; L821-Y869 HydrophobicContact CG-CE2 4.49Å; E865-Y869 WeakPolarHBondContact O-CD2 3.42Å; E865-Y869 PolarHBondContact O-N 2.82Å; E865-Y869 VanDerWaalsContact O-N 3.08Å; I866-Y869 PolarHBondContact O-N 3.09Å; Y869-T871 VanDerWaalsContact C-N 3.32Å; Y869-T871 PolarHBondContact O-N 3.32Å; Y869-K872 PolarHBondContact O-N 3.4Å; Y869-M873 WeakPolarHBondContact O-CB 3.45Å; Y869-M873 WeakPolarHBondContact O-CG 3.49Å; Y869-M873 PolarHBondContact O-N 3.34Å |
| 870 | T | 91.6 | Very high | 89.1 | Confident | 44 Ų | 44 | 63.6 Ų | 63.6 | 27% | 0.27 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 173.9 | -57.4 | 0 | 0 | 0 | 0 | 111.1 | I866 M873 N874 | I866-T870 VanDerWaalsContact O-CB 3.26Å; I866-T870 WeakPolarHBondContact O-CB 3.36Å; I866-T870 PolarHBondContact O-N 3.39Å; I866-T870 PolarHBondContact O-OG1 2.68Å; T870-M873 PolarHBondContact O-N 3.35Å; T870-N874 VanDerWaalsContact O-CG 3.31Å; T870-N874 PolarHBondContact O-N 3.41Å; T870-N874 VanDerWaalsContact O-N 3.09Å; T870-N874 PolarHBondContact O-ND2 3.1Å |
| 871 | T | 90.4 | Very high | 88.2 | Confident | 87 Ų | 87 | 62.8 Ų | 62.8 | 53% | 0.534 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.7 | -45.9 | 174.5 | -55.8 | 0 | 0 | 0 | 0 | 110.9 | N867 Y868 Y869 N874 L875 | N867-T871 WeakPolarHBondContact O-CB 3.35Å; N867-T871 PolarHBondContact O-N 3.42Å; N867-T871 PolarHBondContact O-OG1 3.22Å; Y868-T871 PolarHBondContact O-N 3.4Å; Y869-T871 VanDerWaalsContact C-N 3.32Å; Y869-T871 PolarHBondContact O-N 3.32Å; T871-N874 PolarHBondContact O-N 3.32Å; T871-L875 PolarHBondContact O-N 3.13Å |
| 872 | K | 89.7 | Confident | 87.3 | Confident | 46 Ų | 46 | 66.1 Ų | 66.1 | 20% | 0.2 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 177.4 | -169.9 | 172.5 | 179.5 | -171.6 | 0 | 112.4 | I812 F813 E817 Y868 Y869 N874 L875 W876 | I812-K872 WeakPolarHBondContact O-CE 3.26Å; I812-K872 PolarHBondContact O-NZ 3.49Å; F813-K872 HydrophobicContact CD1-CD 4.2Å; F813-K872 HydrophobicContact CE1-CB 4.18Å; F813-K872 HydrophobicContact CE1-CD 3.76Å; F813-K872 HydrophobicContact CE1-CG 3.9Å; F813-K872 HydrophobicContact CZ-CG 4.41Å; E817-K872 IonicContact OE1-NZ 2.81Å; E817-K872 PolarHBondContact OE1-NZ 2.87Å; E817-K872 IonicContact OE2-NZ 3.85Å; E817-K872 PolarHBondContact OE2-NZ 3.36Å; Y868-K872 PolarHBondContact O-N 2.82Å; Y869-K872 PolarHBondContact O-N 3.4Å; K872-N874 VanDerWaalsContact C-N 3.34Å; K872-N874 PolarHBondContact O-N 3.44Å; K872-L875 WeakPolarHBondContact O-CB 3.45Å; K872-L875 PolarHBondContact O-N 3.33Å; K872-W876 PolarHBondContact O-N 2.66Å; K872-W876 VanDerWaalsContact O-N 3.13Å |
| 873 | M | 87.4 | Confident | 86 | Confident | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.01 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.4 | -42.9 | 175.8 | -77.8 | -170 | -63.8 | 0 | 0 | 112.2 | T768 E771 M772 L775 F813 Y869 T870 L875 W876 R877 | T768-M873 HydrophobicContact CG2-CE 3.67Å; E771-M873 HydrophobicContact CB-CE 4.19Å; E771-M873 HydrophobicContact CB-SD 3.52Å; E771-M873 VanDerWaalsContact CB-SD 3.52Å; M772-M873 HydrophobicContact CG-CG 4.18Å; M772-M873 HydrophobicContact CG-SD 3.78Å; L775-M873 HydrophobicContact CD1-CB 3.97Å; L775-M873 HydrophobicContact CD1-CG 3.71Å; L775-M873 HydrophobicContact CD1-SD 3.86Å; F813-M873 HydrophobicContact CE1-CG 4.37Å; F813-M873 HydrophobicContact CE2-CG 3.77Å; F813-M873 HydrophobicContact CZ-CB 4.32Å; F813-M873 HydrophobicContact CZ-CG 3.31Å; Y869-M873 WeakPolarHBondContact O-CB 3.45Å; Y869-M873 WeakPolarHBondContact O-CG 3.49Å; Y869-M873 PolarHBondContact O-N 3.34Å; T870-M873 PolarHBondContact O-N 3.35Å; M873-L875 VanDerWaalsContact C-N 3.32Å; M873-L875 PolarHBondContact O-N 2.8Å; M873-W876 PolarHBondContact O-N 3Å; M873-R877 WeakPolarHBondContact O-CG 3.5Å; M873-R877 PolarHBondContact O-N 3.23Å |
| 874 | N | 86.7 | Confident | 84.8 | Confident | 87 Ų | 87 | 70.8 Ų | 70.8 | 47% | 0.465 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.2 | -37.6 | 179.8 | -71.1 | -25 | 0 | 0 | 0 | 112.5 | T870 T871 K872 S878 | T870-N874 VanDerWaalsContact O-CG 3.31Å; T870-N874 PolarHBondContact O-N 3.41Å; T870-N874 VanDerWaalsContact O-N 3.09Å; T870-N874 PolarHBondContact O-ND2 3.1Å; T871-N874 PolarHBondContact O-N 3.32Å; K872-N874 VanDerWaalsContact C-N 3.34Å; K872-N874 PolarHBondContact O-N 3.44Å; N874-S878 PolarHBondContact O-N 2.71Å; N874-S878 PolarHBondContact O-OG 3.29Å |
| 875 | L | 85.2 | Confident | 83.8 | Confident | 121 Ų | 121 | 63.7 Ų | 63.7 | 63% | 0.634 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -61.3 | -47.2 | 172.6 | -68.7 | 168.7 | 0 | 0 | 0 | 110.9 | T871 K872 M873 S878 E879 | T871-L875 PolarHBondContact O-N 3.13Å; K872-L875 WeakPolarHBondContact O-CB 3.45Å; K872-L875 PolarHBondContact O-N 3.33Å; M873-L875 VanDerWaalsContact C-N 3.32Å; M873-L875 PolarHBondContact O-N 2.8Å; L875-S878 WeakPolarHBondContact O-CB 3.29Å; L875-S878 PolarHBondContact O-N 3.47Å; L875-E879 PolarHBondContact O-N 2.74Å |
| 876 | W | 80.8 | Confident | 82.7 | Confident | 50 Ų | 50 | 66.1 Ų | 66.1 | 19% | 0.189 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -70 | -35.3 | 179.6 | -76.5 | 117.8 | 0 | 0 | 0 | 114.4 | W809 I812 K872 M873 S878 E879 I880 | W809-W876 HydrophobicContact CE3-CZ3 4.15Å; W809-W876 AromaticContact CZ3-CZ3 3.91Å; W809-W876 HydrophobicContact CZ3-CZ3 3.91Å; I812-W876 HydrophobicContact CB-CD2 4.45Å; I812-W876 HydrophobicContact CD1-CB 4.5Å; I812-W876 HydrophobicContact CG1-CD2 4.11Å; I812-W876 HydrophobicContact CG1-CE3 4.21Å; I812-W876 HydrophobicContact CG1-CG 4.42Å; I812-W876 HydrophobicContact CG2-CB 4.01Å; I812-W876 VanDerWaalsContact CG2-CD1 3.44Å; I812-W876 HydrophobicContact CG2-CD2 4.01Å; I812-W876 HydrophobicContact CG2-CG 3.58Å; I812-W876 PolarHBondContact O-NE1 3.02Å; K872-W876 PolarHBondContact O-N 2.66Å; K872-W876 VanDerWaalsContact O-N 3.13Å; M873-W876 PolarHBondContact O-N 3Å; W876-S878 VanDerWaalsContact C-N 3.25Å; W876-S878 PolarHBondContact O-N 3.33Å; W876-E879 HydrophobicContact CE3-CB 4.13Å; W876-E879 HydrophobicContact CE3-CG 4.13Å; W876-E879 HydrophobicContact CZ3-CG 4.2Å; W876-E879 WeakPolarHBondContact O-CB 3.11Å; W876-E879 PolarHBondContact O-N 3.47Å; W876-E879 VanDerWaalsContact O-N 3.16Å; W876-I880 WeakPolarHBondContact O-CG1 3.35Å; W876-I880 PolarHBondContact O-N 3.39Å |
| 877 | R | 81.9 | Confident | 81.1 | Confident | 108 Ų | 108 | 68 Ų | 68 | 41% | 0.408 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.9 | -40.6 | 172.7 | -75.1 | 177.9 | -173.3 | -85.9 | 6.4 | 110.9 | E771 L775 M873 E879 A881 | E771-R877 IonicContact OE2-NH2 3.41Å; E771-R877 PolarHBondContact OE2-NH2 2.64Å; L775-R877 HydrophobicContact CD1-CG 4.28Å; L775-R877 HydrophobicContact CD2-CG 4.06Å; M873-R877 WeakPolarHBondContact O-CG 3.5Å; M873-R877 PolarHBondContact O-N 3.23Å; R877-E879 VanDerWaalsContact C-N 3.32Å; R877-A881 WeakPolarHBondContact O-CB 3.01Å; R877-A881 PolarHBondContact O-N 2.73Å |
| 878 | S | 79.6 | Confident | 79.6 | Confident | 83 Ų | 83 | 66.2 Ų | 66.2 | 58% | 0.58 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -63.5 | -40.9 | 175.2 | -54.2 | 0 | 0 | 0 | 0 | 111.3 | N874 L875 W876 R882 | N874-S878 PolarHBondContact O-N 2.71Å; N874-S878 PolarHBondContact O-OG 3.29Å; L875-S878 WeakPolarHBondContact O-CB 3.29Å; L875-S878 PolarHBondContact O-N 3.47Å; W876-S878 VanDerWaalsContact C-N 3.25Å; W876-S878 PolarHBondContact O-N 3.33Å; S878-R882 PolarHBondContact O-N 3.23Å |
| 879 | E | 75.3 | Confident | 78.3 | Confident | 38 Ų | 38 | 67.4 Ų | 67.4 | 18% | 0.178 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.6 | -45.3 | 178.7 | -170.3 | 52.1 | -132.7 | 0 | 0 | 112.9 | W809 L875 W876 R877 A881 R882 M883 | W809-E879 HydrophobicContact CH2-CG 4.05Å; W809-E879 HydrophobicContact CZ3-CG 3.9Å; L875-E879 PolarHBondContact O-N 2.74Å; W876-E879 HydrophobicContact CE3-CB 4.13Å; W876-E879 HydrophobicContact CE3-CG 4.13Å; W876-E879 HydrophobicContact CZ3-CG 4.2Å; W876-E879 WeakPolarHBondContact O-CB 3.11Å; W876-E879 PolarHBondContact O-N 3.47Å; W876-E879 VanDerWaalsContact O-N 3.16Å; R877-E879 VanDerWaalsContact C-N 3.32Å; E879-A881 VanDerWaalsContact C-N 3.33Å; E879-A881 PolarHBondContact O-N 3.35Å; E879-R882 VanDerWaalsContact O-CB 3.29Å; E879-R882 WeakPolarHBondContact O-CB 3.3Å; E879-R882 PolarHBondContact O-N 3.31Å; E879-R882 VanDerWaalsContact O-N 3.15Å; E879-R882 IonicContact OE1-CZ 3.9Å; E879-R882 IonicContact OE1-NE 3.22Å; E879-R882 PolarHBondContact OE1-NE 2.96Å; E879-R882 IonicContact OE1-NH2 2.6Å; E879-R882 PolarHBondContact OE1-NH2 3.44Å; E879-R882 IonicContact OE2-CZ 2.61Å; E879-R882 VanDerWaalsContact OE2-CZ 3.22Å; E879-R882 IonicContact OE2-NE 2.75Å; E879-R882 PolarHBondContact OE2-NE 3.47Å; E879-R882 IonicContact OE2-NH1 2.66Å; E879-R882 IonicContact OE2-NH2 3.24Å; E879-R882 PolarHBondContact OE2-NH2 3.34Å; E879-M883 WeakPolarHBondContact O-CG 3.32Å; E879-M883 PolarHBondContact O-N 3.41Å |
| 880 | I | 73.1 | Confident | 76.5 | Confident | 13 Ų | 13 | 72.9 Ų | 72.9 | 7% | 0.067 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 175 | -68.7 | 169.3 | 0 | 0 | 0 | 110.9 | L775 L778 F779 I812 W876 R882 M883 F884 | L775-I880 HydrophobicContact CD2-CD1 4.08Å; L778-I880 HydrophobicContact CD2-CD1 4.47Å; L778-I880 HydrophobicContact CD2-CG2 4.45Å; F779-I880 HydrophobicContact CD2-CD1 4.37Å; F779-I880 HydrophobicContact CD2-CG1 4.21Å; I812-I880 HydrophobicContact CD1-CD1 3.78Å; W876-I880 WeakPolarHBondContact O-CG1 3.35Å; W876-I880 PolarHBondContact O-N 3.39Å; I880-R882 VanDerWaalsContact C-N 3.29Å; I880-R882 PolarHBondContact O-N 2.88Å; I880-M883 PolarHBondContact O-N 2.94Å; I880-F884 HydrophobicContact CG2-CD2 3.54Å; I880-F884 HydrophobicContact CG2-CE2 3.48Å; I880-F884 VanDerWaalsContact CG2-CE2 3.48Å; I880-F884 WeakPolarHBondContact O-CD2 3.38Å; I880-F884 PolarHBondContact O-N 3.34Å |
| 881 | A | 77.2 | Confident | 74.6 | Confident | 60 Ų | 60 | 78.9 Ų | 78.9 | 50% | 0.496 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.7 | -39.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | R877 E879 A885 | R877-A881 WeakPolarHBondContact O-CB 3.01Å; R877-A881 PolarHBondContact O-N 2.73Å; E879-A881 VanDerWaalsContact C-N 3.33Å; E879-A881 PolarHBondContact O-N 3.35Å; A881-A885 WeakPolarHBondContact O-CB 3.3Å; A881-A885 PolarHBondContact O-N 2.94Å |
| 882 | R | 77 | Confident | 72.5 | Confident | 133 Ų | 133 | 80.2 Ų | 80.2 | 50% | 0.502 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -58.6 | -47.8 | 171.8 | -174.9 | 178.5 | 75.8 | 163 | 9.4 | 111.3 | S878 E879 I880 A885 E886 | S878-R882 PolarHBondContact O-N 3.23Å; E879-R882 VanDerWaalsContact O-CB 3.29Å; E879-R882 WeakPolarHBondContact O-CB 3.3Å; E879-R882 PolarHBondContact O-N 3.31Å; E879-R882 VanDerWaalsContact O-N 3.15Å; E879-R882 IonicContact OE1-CZ 3.9Å; E879-R882 IonicContact OE1-NE 3.22Å; E879-R882 PolarHBondContact OE1-NE 2.96Å; E879-R882 IonicContact OE1-NH2 2.6Å; E879-R882 PolarHBondContact OE1-NH2 3.44Å; E879-R882 IonicContact OE2-CZ 2.61Å; E879-R882 VanDerWaalsContact OE2-CZ 3.22Å; E879-R882 IonicContact OE2-NE 2.75Å; E879-R882 PolarHBondContact OE2-NE 3.47Å; E879-R882 IonicContact OE2-NH1 2.66Å; E879-R882 IonicContact OE2-NH2 3.24Å; E879-R882 PolarHBondContact OE2-NH2 3.34Å; I880-R882 VanDerWaalsContact C-N 3.29Å; I880-R882 PolarHBondContact O-N 2.88Å; R882-A885 WeakPolarHBondContact O-CB 3.42Å; R882-A885 PolarHBondContact O-N 2.98Å; R882-E886 WeakPolarHBondContact O-CG 3.32Å; R882-E886 PolarHBondContact O-N 3.3Å |
| 883 | M | 68.1 | Low | 70 | Confident | 38 Ų | 38 | 82.9 Ų | 82.9 | 19% | 0.187 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -61.7 | -45.8 | 179.2 | -66.4 | 177.6 | 71.2 | 0 | 0 | 113 | F779 I786 W809 E879 I880 A885 E886 Q887 | F779-M883 HydrophobicContact CE2-SD 4.43Å; I786-M883 HydrophobicContact CD1-CE 4.37Å; W809-M883 HydrophobicContact CE3-SD 4.27Å; W809-M883 HydrophobicContact CH2-SD 4.15Å; W809-M883 HydrophobicContact CZ3-SD 3.75Å; E879-M883 WeakPolarHBondContact O-CG 3.32Å; E879-M883 PolarHBondContact O-N 3.41Å; I880-M883 PolarHBondContact O-N 2.94Å; M883-A885 VanDerWaalsContact C-N 3.31Å; M883-A885 PolarHBondContact O-N 3.4Å; M883-E886 PolarHBondContact O-N 3.36Å; M883-Q887 WeakPolarHBondContact O-CB 3.44Å; M883-Q887 PolarHBondContact O-N 2.87Å |
| 884 | F | 72.5 | Confident | 67.5 | Low | 93 Ų | 93 | 89 Ų | 89 | 41% | 0.408 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.1 | -35 | 176.3 | -82.7 | -68.5 | 0 | 0 | 0 | 112.5 | T782 I880 E886 Q887 S888 | T782-F884 HydrophobicContact CG2-CE1 4.42Å; T782-F884 HydrophobicContact CG2-CE2 4.41Å; T782-F884 HydrophobicContact CG2-CZ 3.98Å; I880-F884 HydrophobicContact CG2-CD2 3.54Å; I880-F884 HydrophobicContact CG2-CE2 3.48Å; I880-F884 VanDerWaalsContact CG2-CE2 3.48Å; I880-F884 WeakPolarHBondContact O-CD2 3.38Å; I880-F884 PolarHBondContact O-N 3.34Å; F884-E886 VanDerWaalsContact C-N 3.34Å; F884-Q887 PolarHBondContact O-N 3.08Å; F884-S888 WeakPolarHBondContact O-CB 3.41Å; F884-S888 PolarHBondContact O-N 3.03Å; F884-S888 PolarHBondContact O-OG 2.92Å |
| 885 | A | 73.8 | Confident | 65.4 | Low | 46 Ų | 46 | 90.5 Ų | 90.5 | 38% | 0.38 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.5 | -37.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A881 R882 M883 S888 K889 | A881-A885 WeakPolarHBondContact O-CB 3.3Å; A881-A885 PolarHBondContact O-N 2.94Å; R882-A885 WeakPolarHBondContact O-CB 3.42Å; R882-A885 PolarHBondContact O-N 2.98Å; M883-A885 VanDerWaalsContact C-N 3.31Å; M883-A885 PolarHBondContact O-N 3.4Å; A885-S888 WeakPolarHBondContact CA-OG 3.22Å; A885-S888 PolarHBondContact O-OG 3.47Å; A885-S888 VanDerWaalsContact O-OG 3.06Å; A885-K889 VanDerWaalsContact O-CG 3.31Å; A885-K889 WeakPolarHBondContact O-CG 3.38Å; A885-K889 PolarHBondContact O-N 3.39Å |
| 886 | E | 70.6 | Confident | 63 | Low | 106 Ų | 106 | 91.5 Ų | 91.5 | 50% | 0.495 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.1 | -42.9 | 173.9 | -73.3 | 174 | -176.6 | 0 | 0 | 111.8 | R882 M883 F884 K889 M890 | R882-E886 WeakPolarHBondContact O-CG 3.32Å; R882-E886 PolarHBondContact O-N 3.3Å; M883-E886 PolarHBondContact O-N 3.36Å; F884-E886 VanDerWaalsContact C-N 3.34Å; E886-K889 WeakPolarHBondContact O-CB 3.03Å; E886-K889 PolarHBondContact O-N 2.98Å; E886-M890 PolarHBondContact O-N 2.71Å |
| 887 | Q | 61.4 | Low | 60.6 | Low | 40 Ų | 40 | 99.1 Ų | 99.1 | 19% | 0.187 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -66.5 | -41.1 | 179.7 | -154.8 | -179.1 | 30.2 | 0 | 0 | 112.2 | M883 F884 K889 M890 Y891 | M883-Q887 WeakPolarHBondContact O-CB 3.44Å; M883-Q887 PolarHBondContact O-N 2.87Å; F884-Q887 PolarHBondContact O-N 3.08Å; Q887-K889 VanDerWaalsContact C-N 3.31Å; Q887-K889 PolarHBondContact O-N 3.34Å; Q887-M890 WeakPolarHBondContact O-CB 3.38Å; Q887-M890 PolarHBondContact O-N 2.74Å; Q887-M890 VanDerWaalsContact O-N 3.1Å; Q887-Y891 HydrophobicContact CG-CD2 4.2Å; Q887-Y891 HydrophobicContact CG-CE2 3.89Å; Q887-Y891 VanDerWaalsContact O-CD2 3.3Å; Q887-Y891 WeakPolarHBondContact O-CD2 3.12Å; Q887-Y891 PolarHBondContact O-N 3.37Å; Q887-Y891 VanDerWaalsContact O-N 3.16Å |
| 888 | S | 62.7 | Low | 58.1 | Low | 64 Ų | 64 | 100.9 Ų | 100.9 | 45% | 0.448 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.4 | -31.2 | 175.3 | 55 | 0 | 0 | 0 | 0 | 113.2 | F884 A885 M890 Y891 T892 | F884-S888 WeakPolarHBondContact O-CB 3.41Å; F884-S888 PolarHBondContact O-N 3.03Å; F884-S888 PolarHBondContact O-OG 2.92Å; A885-S888 WeakPolarHBondContact CA-OG 3.22Å; A885-S888 PolarHBondContact O-OG 3.47Å; A885-S888 VanDerWaalsContact O-OG 3.06Å; S888-M890 VanDerWaalsContact C-N 3.33Å; S888-Y891 PolarHBondContact O-N 3.13Å; S888-T892 WeakPolarHBondContact O-CG2 3.33Å; S888-T892 PolarHBondContact O-N 2.99Å; S888-T892 PolarHBondContact O-OG1 3.18Å |
| 889 | K | 66.4 | Low | 55.6 | Low | 148 Ų | 148 | 105.9 Ų | 105.9 | 64% | 0.643 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.6 | -33.3 | 170.1 | -73.7 | 172.5 | -178 | 177.5 | 0 | 112.7 | A885 E886 Q887 T892 T893 | A885-K889 VanDerWaalsContact O-CG 3.31Å; A885-K889 WeakPolarHBondContact O-CG 3.38Å; A885-K889 PolarHBondContact O-N 3.39Å; E886-K889 WeakPolarHBondContact O-CB 3.03Å; E886-K889 PolarHBondContact O-N 2.98Å; Q887-K889 VanDerWaalsContact C-N 3.31Å; Q887-K889 PolarHBondContact O-N 3.34Å; K889-T892 WeakPolarHBondContact CA-OG1 3.42Å; K889-T892 PolarHBondContact O-OG1 2.67Å; K889-T893 PolarHBondContact O-OG1 3.04Å |
| 890 | M | 54.7 | Low | 53.5 | Low | 123 Ų | 123 | 108.6 Ų | 108.6 | 61% | 0.606 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -73.9 | -33.6 | 176.4 | -68.6 | -166.4 | 126.4 | 0 | 0 | 113.4 | E886 Q887 S888 T893 | E886-M890 PolarHBondContact O-N 2.71Å; Q887-M890 WeakPolarHBondContact O-CB 3.38Å; Q887-M890 PolarHBondContact O-N 2.74Å; Q887-M890 VanDerWaalsContact O-N 3.1Å; S888-M890 VanDerWaalsContact C-N 3.33Å; M890-T893 PolarHBondContact O-OG1 2.88Å |
| 891 | Y | 53 | Low | 51.2 | Low | 171 Ų | 171 | 116.9 Ų | 116.9 | 67% | 0.671 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -83.1 | -12.9 | 177.2 | -75.5 | -73.8 | 0 | 0 | 0 | 114.3 | Q887 S888 | Q887-Y891 HydrophobicContact CG-CD2 4.2Å; Q887-Y891 HydrophobicContact CG-CE2 3.89Å; Q887-Y891 VanDerWaalsContact O-CD2 3.3Å; Q887-Y891 WeakPolarHBondContact O-CD2 3.12Å; Q887-Y891 PolarHBondContact O-N 3.37Å; Q887-Y891 VanDerWaalsContact O-N 3.16Å; S888-Y891 PolarHBondContact O-N 3.13Å |
| 892 | T | 45.2 | Very low | 48.7 | Very low | 114 Ų | 114 | 120.3 Ų | 120.3 | 70% | 0.699 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | 3.5 | 174 | 46.4 | 0 | 0 | 0 | 0 | 113.3 | S888 K889 D894 | S888-T892 WeakPolarHBondContact O-CG2 3.33Å; S888-T892 PolarHBondContact O-N 2.99Å; S888-T892 PolarHBondContact O-OG1 3.18Å; K889-T892 WeakPolarHBondContact CA-OG1 3.42Å; K889-T892 PolarHBondContact O-OG1 2.67Å; T892-D894 PolarHBondContact O-N 3.29Å |
| 893 | T | 37.5 | Very low | 46.8 | Very low | 103 Ų | 103 | 118.9 Ų | 118.9 | 63% | 0.632 | 63% | 0.629 | S | S | * | * | trans | -90.5 | 84.4 | 170.6 | 19.3 | 0 | 0 | 0 | 0 | 110.2 | K889 M890 P895 | K889-T893 PolarHBondContact O-OG1 3.04Å; M890-T893 PolarHBondContact O-OG1 2.88Å; T893-P895 WeakPolarHBondContact O-CD 3.15Å | ||
| 894 | D | 35.9 | Very low | 44.7 | Very low | 129 Ų | 129 | 122.7 Ų | 122.7 | 69% | 0.69 | 66% | 0.655 | S | S | * | * | trans | -57.1 | 119 | 161.2 | -170 | 2.7 | 0 | 0 | 0 | 108.8 | T892 L896 | T892-D894 PolarHBondContact O-N 3.29Å; D894-L896 PolarHBondContact O-N 3.17Å | ||
| 895 | P | 41.8 | Very low | 42.3 | Very low | 120 Ų | 120 | 123 Ų | 123 | 78% | 0.779 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -80.4 | 60.3 | -176.9 | 33.6 | -33.7 | 0 | 0 | 0 | 110.8 | T893 | T893-P895 WeakPolarHBondContact O-CD 3.15Š|
| 896 | L | 35 | Very low | 39.9 | Very low | 142 Ų | 142 | 126.6 Ų | 126.6 | 74% | 0.743 | 69% | 0.686 | S | S | * | * | trans | -145.2 | 74.1 | 169 | -79.6 | 173.3 | 0 | 0 | 0 | 110.5 | D894 | D894-L896 PolarHBondContact O-N 3.17Š| ||
| 897 | K | 30.1 | Very low | 37.7 | Very low | 210 Ų | 210 | 127.8 Ų | 127.8 | 91% | 0.913 | 70% | 0.696 | S | S | * | * | trans | -167.7 | 83.2 | 140.7 | -106.8 | 167.9 | -171.2 | -178.2 | 0 | 110.6 | ||||
| 898 | D | 28.5 | Very low | 36 | Very low | 145 Ų | 145 | 131.9 Ų | 131.9 | 78% | 0.775 | 72% | 0.719 | S | S | * | * | trans | -65.4 | 139.5 | 159 | -141.9 | -2.4 | 0 | 0 | 0 | 109.5 | ||||
| 899 | K | 27.9 | Very low | 34.3 | Very low | 187 Ų | 187 | 136.2 Ų | 136.2 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | trans | 72.1 | 96.6 | 163.5 | -57.9 | 176.3 | -179.6 | 174.4 | 0 | 119.5 | ||||
| 900 | A | 30.5 | Very low | 32.2 | Very low | 96 Ų | 96 | 137.7 Ų | 137.7 | 79% | 0.793 | 75% | 0.746 | S | S | * | * | trans | -160.7 | 106.8 | 133.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 901 | Q | 26.3 | Very low | 30.9 | Very low | 187 Ų | 187 | 141.4 Ų | 141.4 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | trans | 36.8 | 123.7 | 138.3 | -65.3 | 173 | -8.2 | 0 | 0 | 121.4 | ||||
| 902 | T | 24.4 | Very low | 29.4 | Very low | 131 Ų | 131 | 139.8 Ų | 139.8 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | -25.3 | 169.3 | 140.7 | 24.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 903 | P | 37.4 | Very low | 28.5 | Very low | 103 Ų | 103 | 142.2 Ų | 142.2 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | cis | -140.7 | -173.6 | -16.7 | 31.6 | -7.5 | 0 | 0 | 0 | 115 | ||||
| 904 | T | 22.7 | Very low | 28.1 | Very low | 119 Ų | 119 | 142.4 Ų | 142.4 | 73% | 0.73 | 78% | 0.777 | S | S | * | * | trans | 69.2 | 118.8 | 145.2 | 28.9 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 905 | S | 23.4 | Very low | 27.6 | Very low | 98 Ų | 98 | 147 Ų | 147 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | 59.9 | 142.2 | 128.5 | 68.3 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 906 | T | 23.6 | Very low | 26.6 | Very low | 123 Ų | 123 | 147.4 Ų | 147.4 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | 84.5 | 115.7 | 153.7 | 46.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 907 | N | 24.4 | Very low | 26.3 | Very low | 131 Ų | 131 | 149.1 Ų | 149.1 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | trans | 60.3 | 135.6 | 133 | -78.8 | 33.3 | 0 | 0 | 0 | 123.3 | ||||
| 908 | D | 25 | Very low | 26 | Very low | 125 Ų | 125 | 148.3 Ų | 148.3 | 67% | 0.668 | 79% | 0.79 | S | S | * | * | trans | 52.6 | 104.1 | 139.6 | -52.1 | -30.1 | 0 | 0 | 0 | 117.3 | ||||
| 909 | D | 26 | Very low | 25.9 | Very low | 155 Ų | 155 | 147.8 Ų | 147.8 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | 173.9 | 149.8 | 102 | -94.9 | -30.2 | 0 | 0 | 0 | 112.3 | |||||
| 910 | E | 23.2 | Very low | 26 | Very low | 180 Ų | 180 | 146.5 Ų | 146.5 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | trans | -43.3 | 136.6 | 173.5 | -63.5 | 173.4 | 136.6 | 0 | 0 | 114.2 | ||||
| 911 | K | 27 | Very low | 25.6 | Very low | 200 Ų | 200 | 151 Ų | 151 | 87% | 0.87 | 80% | 0.8 | S | S | * | * | trans | -155.6 | 101.8 | 148.8 | -110.7 | 165 | -164.9 | 177.4 | 0 | 112.2 | ||||
| 912 | T | 21.4 | Very low | 25.7 | Very low | 138 Ų | 138 | 151 Ų | 151 | 85% | 0.847 | 80% | 0.799 | S | S | * | * | trans | -28.9 | 128.5 | 148.1 | 9.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 913 | I | 26.2 | Very low | 25.8 | Very low | 164 Ų | 164 | 150 Ų | 150 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | trans | -149.6 | 144.1 | 149.8 | -64.8 | -167.5 | 0 | 0 | 0 | 109.2 | ||||
| 914 | P | 29.3 | Very low | 25.1 | Very low | 107 Ų | 107 | 151.9 Ų | 151.9 | 70% | 0.695 | 81% | 0.805 | S | S | * | * | trans | -106.7 | 167.8 | -157.8 | 39.7 | -30 | 0 | 0 | 0 | 114.2 | ||||
| 915 | R | 25.1 | Very low | 25.2 | Very low | 226 Ų | 226 | 152.6 Ų | 152.6 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | 172.3 | 115.5 | 122.7 | -97.4 | 169.6 | 175.1 | 170 | -0.8 | 113.2 | |||||
| 916 | T | 22.3 | Very low | 25.2 | Very low | 129 Ų | 129 | 158 Ų | 158 | 79% | 0.791 | 82% | 0.821 | S | S | * | * | trans | 5.1 | 117.1 | 132.4 | 49.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 917 | L | 27 | Very low | 25.5 | Very low | 178 Ų | 178 | 157.7 Ų | 157.7 | 93% | 0.932 | 82% | 0.823 | S | S | * | * | trans | -120.8 | 133.1 | 146.8 | -90.2 | 158.2 | 0 | 0 | 0 | 108.2 | ||||
| 918 | K | 25.4 | Very low | 25.6 | Very low | 192 Ų | 192 | 157.9 Ų | 157.9 | 84% | 0.835 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 143.1 | -165.2 | -68.3 | 171.3 | 170.9 | 179.8 | 0 | 111.5 | ||
| 919 | T | 25.5 | Very low | 25.6 | Very low | 135 Ų | 135 | 160.9 Ų | 160.9 | 83% | 0.828 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 116.7 | 161.5 | 44.5 | 0 | 0 | 0 | 0 | 108.8 | ||
| 920 | D | 29.2 | Very low | 25.7 | Very low | 159 Ų | 159 | 160.6 Ų | 160.6 | 85% | 0.85 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 130.9 | 168.1 | -75.9 | -37.4 | 0 | 0 | 0 | 109.7 | ||
| 921 | E | 22.9 | Very low | 25.8 | Very low | 192 Ų | 192 | 158.2 Ų | 158.2 | 90% | 0.897 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -73 | 131.1 | 174 | -64.7 | 173.8 | 148.5 | 0 | 0 | 109.9 | ||
| 922 | E | 27.5 | Very low | 25.9 | Very low | 186 Ų | 186 | 154.5 Ų | 154.5 | 87% | 0.869 | 83% | 0.83 | S | S | * | * | trans | -126.9 | 153 | 163.9 | -98.2 | -163.7 | 163.7 | 0 | 0 | 110.2 | ||||
| 923 | P | 26.9 | Very low | 26.2 | Very low | 111 Ų | 111 | 157.4 Ų | 157.4 | 72% | 0.721 | 83% | 0.834 | S | S | * | * | trans | -97.2 | 150.7 | -133.5 | 9.1 | 8.7 | 0 | 0 | 0 | 114.3 | T925 | P923-T925 PolarHBondContact O-N 3.16Š| ||
| 924 | T | 22.4 | Very low | 26.4 | Very low | 142 Ų | 142 | 155.9 Ų | 155.9 | 87% | 0.871 | 83% | 0.833 | S | S | * | * | trans | -65.1 | 105.8 | 167.4 | 33.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 925 | T | 26.4 | Very low | 26.4 | Very low | 134 Ų | 134 | 156.5 Ų | 156.5 | 82% | 0.822 | 84% | 0.836 | S | S | * | * | trans | -90.3 | 107.3 | 160.5 | 45.2 | 0 | 0 | 0 | 0 | 109.8 | P923 S927 | P923-T925 PolarHBondContact O-N 3.16Å; T925-S927 PolarHBondContact O-N 2.77Å | ||
| 926 | K | 23.2 | Very low | 26.5 | Very low | 211 Ų | 211 | 157.3 Ų | 157.3 | 92% | 0.917 | 84% | 0.839 | S | S | * | * | trans | -62.1 | 119.5 | 163 | -73.6 | 174.6 | 173.9 | 178 | 0 | 109.2 | ||||
| 927 | S | 28.9 | Very low | 26.9 | Very low | 116 Ų | 116 | 157.2 Ų | 157.2 | 81% | 0.811 | 84% | 0.841 | S | S | * | * | trans | -117.5 | 119.9 | 157.4 | 56.2 | 0 | 0 | 0 | 0 | 108.1 | T925 | T925-S927 PolarHBondContact O-N 2.77Š| ||
| 928 | T | 27.2 | Very low | 26.7 | Very low | 135 Ų | 135 | 157.8 Ų | 157.8 | 83% | 0.828 | 84% | 0.839 | S | S | * | * | trans | -59.9 | 145.3 | -176.3 | 31.4 | 0 | 0 | 0 | 0 | 113.7 | D930 | T928-D930 PolarHBondContact O-N 3.1Š| ||
| 929 | E | 25 | Very low | 27.1 | Very low | 188 Ų | 188 | 160.5 Ų | 160.5 | 88% | 0.879 | 86% | 0.862 | S | S | * | * | trans | -48.3 | 127.8 | 160.9 | -66.2 | 167.6 | 143.2 | 0 | 0 | 110.5 | ||||
| 930 | D | 28.6 | Very low | 27.2 | Very low | 150 Ų | 150 | 161.8 Ų | 161.8 | 80% | 0.802 | 86% | 0.863 | S | S | * | * | trans | -129 | 96.6 | 160 | -128.1 | -15.6 | 0 | 0 | 0 | 108.2 | T928 T932 | T928-D930 PolarHBondContact O-N 3.1Å; D930-T932 PolarHBondContact O-N 3.01Å | ||
| 931 | T | 24.7 | Very low | 27.1 | Very low | 130 Ų | 130 | 161.9 Ų | 161.9 | 80% | 0.798 | 86% | 0.864 | S | S | * | * | trans | -70.6 | 110.7 | 168.5 | 37.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 932 | T | 29.6 | Very low | 27.3 | Very low | 121 Ų | 121 | 160.3 Ų | 160.3 | 74% | 0.742 | 86% | 0.862 | S | S | * | * | trans | -141.6 | 88.5 | 156.5 | 38 | 0 | 0 | 0 | 0 | 110.2 | D930 T934 | D930-T932 PolarHBondContact O-N 3.01Å; T932-T934 PolarHBondContact O-N 2.87Å | ||
| 933 | Q | 26.2 | Very low | 27.3 | Very low | 200 Ų | 200 | 158.8 Ų | 158.8 | 94% | 0.935 | 86% | 0.862 | S | S | * | * | trans | -68.9 | 112.7 | 158.5 | -79.3 | 177.3 | -8.5 | 0 | 0 | 107.9 | ||||
| 934 | T | 29.9 | Very low | 27.4 | Very low | 132 Ų | 132 | 161.8 Ų | 161.8 | 81% | 0.81 | 87% | 0.87 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 138.3 | 171.9 | -6.9 | 0 | 0 | 0 | 0 | 109.6 | T932 | T932-T934 PolarHBondContact O-N 2.87Š|
| 935 | P | 29.9 | Very low | 27.7 | Very low | 119 Ų | 119 | 163.1 Ų | 163.1 | 77% | 0.773 | 87% | 0.87 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 153.1 | -163.6 | 1.1 | 19 | 0 | 0 | 0 | 113.3 | ||
| 936 | R | 28.5 | Very low | 27.8 | Very low | 243 Ų | 243 | 165.1 Ų | 165.1 | 92% | 0.917 | 87% | 0.874 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 139 | 167.6 | -94.1 | 179.4 | 177.7 | 178.9 | -1.6 | 111 | ||
| 937 | P | 30.3 | Very low | 28.1 | Very low | 127 Ų | 127 | 161.6 Ų | 161.6 | 83% | 0.825 | 87% | 0.87 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 126.4 | 171.8 | 30.9 | -26.5 | 0 | 0 | 0 | 110.5 | ||
| 938 | E | 23.1 | Very low | 28.1 | Very low | 190 Ų | 190 | 165.4 Ų | 165.4 | 89% | 0.888 | 88% | 0.875 | S | S | * | * | trans | -90 | 113.7 | 158.8 | -78.3 | -178 | 158.9 | 0 | 0 | 108.6 | ||||
| 939 | L | 33.5 | Very low | 28.1 | Very low | 250 Ų | 250 | 168.2 Ų | 168.2 | 100% | 1.309 | 88% | 0.88 | S | S | * | * | trans | -173.4 | 0 | 135.7 | -104.8 | 161.7 | 0 | 0 | 0 | 108.9 |
Retrieved 939 of 939 residues in 1123.7 ms
(Link to these results)