| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 32.2 | Very low | 47.8 | Very low | 241 Ų | 241 | 150.1 Ų | 150.1 | 100% | 1.187 | 75% | 0.746 | S | S | * | * | 0 | 120.4 | 0 | -79.2 | 169.8 | -177 | 0 | 0 | 108.3 | R3 | M1-R3 PolarHBondContact O-N 3.29Š| |||
| 2 | C | 29.2 | Very low | 51.2 | Low | 129 Ų | 129 | 142.9 Ų | 142.9 | 87% | 0.872 | 71% | 0.711 | S | S | * | * | trans | -56.9 | 119.7 | -176.2 | -80.4 | 0 | 0 | 0 | 0 | 111.9 | M4 | C2-M4 PolarHBondContact O-N 3.09Š| ||
| 3 | R | 30.8 | Very low | 54.2 | Low | 249 Ų | 249 | 132.9 Ų | 132.9 | 94% | 0.94 | 67% | 0.665 | S | S | * | * | trans | -69.3 | 107.3 | 162.7 | -85.3 | -177.5 | 169.8 | -179 | -4.2 | 107.8 | M1 S5 | M1-R3 PolarHBondContact O-N 3.29Å; R3-S5 PolarHBondContact O-N 3.36Å | ||
| 4 | M | 36.4 | Very low | 56.8 | Low | 138 Ų | 138 | 128.6 Ų | 128.6 | 68% | 0.68 | 65% | 0.645 | S | S | * | * | trans | -69.8 | 110.2 | 172.6 | -71.5 | -146.6 | -101.9 | 0 | 0 | 109.3 | C2 F6 | C2-M4 PolarHBondContact O-N 3.09Å; M4-F6 HydrophobicContact CB-CD2 3.84Å; M4-F6 HydrophobicContact CB-CE1 4.4Å; M4-F6 HydrophobicContact CB-CE2 3.28Å; M4-F6 HydrophobicContact CB-CZ 3.62Å; M4-F6 HydrophobicContact CE-CE2 4.3Å; M4-F6 HydrophobicContact CE-CZ 3.73Å; M4-F6 HydrophobicContact CG-CE2 4.21Å; M4-F6 HydrophobicContact CG-CZ 4.14Å; M4-F6 WeakPolarHBondContact O-CD2 3.48Å; M4-F6 PolarHBondContact O-N 3.04Å; M4-F6 VanDerWaalsContact O-N 3.16Å; M4-F6 HydrophobicContact SD-CE1 4.15Å; M4-F6 HydrophobicContact SD-CE2 4.16Å; M4-F6 HydrophobicContact SD-CZ 3.5Å; M4-F6 VanDerWaalsContact SD-CZ 3.5Å | ||
| 5 | S | 40.6 | Very low | 59.3 | Low | 97 Ų | 97 | 122.2 Ų | 122.2 | 68% | 0.678 | 62% | 0.62 | S | S | * | * | trans | -73.1 | 93.5 | 168.5 | 161.4 | 0 | 0 | 0 | 0 | 108.9 | R3 K7 | R3-S5 PolarHBondContact O-N 3.36Å; S5-K7 PolarHBondContact O-N 3.4Å | ||
| 6 | F | 45.3 | Very low | 61.5 | Low | 154 Ų | 154 | 114.6 Ų | 114.6 | 68% | 0.675 | 58% | 0.581 | S | S | * | * | trans | -84.3 | 93.8 | 175.1 | -70.1 | -72.3 | 0 | 0 | 0 | 110.9 | M4 K8 | M4-F6 HydrophobicContact CB-CD2 3.84Å; M4-F6 HydrophobicContact CB-CE1 4.4Å; M4-F6 HydrophobicContact CB-CE2 3.28Å; M4-F6 HydrophobicContact CB-CZ 3.62Å; M4-F6 HydrophobicContact CE-CE2 4.3Å; M4-F6 HydrophobicContact CE-CZ 3.73Å; M4-F6 HydrophobicContact CG-CE2 4.21Å; M4-F6 HydrophobicContact CG-CZ 4.14Å; M4-F6 WeakPolarHBondContact O-CD2 3.48Å; M4-F6 PolarHBondContact O-N 3.04Å; M4-F6 VanDerWaalsContact O-N 3.16Å; M4-F6 HydrophobicContact SD-CE1 4.15Å; M4-F6 HydrophobicContact SD-CE2 4.16Å; M4-F6 HydrophobicContact SD-CZ 3.5Å; M4-F6 VanDerWaalsContact SD-CZ 3.5Å; F6-K8 VanDerWaalsContact C-N 3.34Å; F6-K8 PolarHBondContact O-N 3.16Å | ||
| 7 | K | 45.2 | Very low | 63.5 | Low | 195 Ų | 195 | 109.3 Ų | 109.3 | 85% | 0.848 | 55% | 0.554 | S | S | * | * | trans | -90.6 | 35.2 | 174.9 | -85.6 | -171.4 | 173.2 | -175.7 | 0 | 113.9 | S5 | S5-K7 PolarHBondContact O-N 3.4Š| ||
| 8 | K | 48.6 | Very low | 65.3 | Low | 184 Ų | 184 | 110.7 Ų | 110.7 | 80% | 0.8 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -137.4 | 127 | 167.3 | -73.2 | -170.9 | 177.9 | -178.5 | 0 | 109.2 | F6 T10 | F6-K8 VanDerWaalsContact C-N 3.34Å; F6-K8 PolarHBondContact O-N 3.16Å; K8-T10 PolarHBondContact O-N 3.01Å |
| 9 | E | 57.7 | Low | 67 | Low | 95 Ų | 95 | 104.8 Ų | 104.8 | 44% | 0.444 | 52% | 0.522 | S | S | . | . | trans | -52.9 | 104.7 | 168.5 | -74.4 | 174.6 | -171.5 | 0 | 0 | 108.5 | S44 | E9-S44 PolarHBondContact OE1-N 3.01Å; E9-S44 PolarHBondContact OE1-OG 3.49Å | ||
| 10 | T | 74 | Confident | 68.5 | Low | 56 Ų | 56 | 99.6 Ų | 99.6 | 34% | 0.344 | 50% | 0.496 | S | S | . | . | trans | -75.1 | 148.9 | 175.7 | 62.3 | 0 | 0 | 0 | 0 | 108.5 | K8 L12 A13 N14 | K8-T10 PolarHBondContact O-N 3.01Å; T10-L12 PolarHBondContact O-N 3.39Å; T10-A13 PolarHBondContact O-N 3.41Å; T10-A13 WeakPolarHBondContact OG1-CB 3.44Å; T10-A13 PolarHBondContact OG1-N 3.45Å; T10-A13 VanDerWaalsContact OG1-N 3.17Å; T10-N14 PolarHBondContact O-N 3.2Å | ||
| 11 | P | 85.5 | Confident | 69.8 | Low | 113 Ų | 113 | 103.2 Ų | 103.2 | 73% | 0.734 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -51.6 | -30.7 | 174.5 | -28.3 | 34.9 | 0 | 0 | 0 | 113.2 | A15 | P11-A15 WeakPolarHBondContact O-CB 3.43Å; P11-A15 PolarHBondContact O-N 2.69Å |
| 12 | L | 89.6 | Confident | 72.9 | Confident | 64 Ų | 64 | 99.8 Ų | 99.8 | 34% | 0.335 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -71.2 | -42.6 | 175.7 | -67.9 | 172.2 | 0 | 0 | 0 | 113 | T10 N14 A15 A16 L31 R36 V37 | T10-L12 PolarHBondContact O-N 3.39Å; L12-N14 VanDerWaalsContact C-N 3.31Å; L12-N14 PolarHBondContact O-N 3.35Å; L12-A15 PolarHBondContact O-N 3.05Å; L12-A16 PolarHBondContact O-N 3.17Å; L12-L31 HydrophobicContact CD2-CD2 3.97Å; L12-R36 HydrophobicContact CD1-CB 3.94Å; L12-V37 HydrophobicContact CB-CG2 3.9Å |
| 13 | A | 89 | Confident | 76.1 | Confident | 13 Ų | 13 | 95 Ų | 95 | 11% | 0.107 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | T10 A15 A16 F17 | T10-A13 PolarHBondContact O-N 3.41Å; T10-A13 WeakPolarHBondContact OG1-CB 3.44Å; T10-A13 PolarHBondContact OG1-N 3.45Å; T10-A13 VanDerWaalsContact OG1-N 3.17Å; A13-A15 VanDerWaalsContact C-N 3.33Å; A13-A15 PolarHBondContact O-N 3.18Å; A13-A16 WeakPolarHBondContact O-CA 3.31Å; A13-A16 WeakPolarHBondContact O-CB 3.34Å; A13-A16 PolarHBondContact O-N 3.15Å; A13-F17 WeakPolarHBondContact O-CD2 3.24Å; A13-F17 PolarHBondContact O-N 3.32Å |
| 14 | N | 91.4 | Very high | 79.3 | Confident | 72 Ų | 72 | 85.9 Ų | 85.9 | 39% | 0.385 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.9 | -39 | 176.8 | -70.8 | -1.7 | 0 | 0 | 0 | 112.3 | T10 L12 A16 F17 W18 | T10-N14 PolarHBondContact O-N 3.2Å; L12-N14 VanDerWaalsContact C-N 3.31Å; L12-N14 PolarHBondContact O-N 3.35Å; N14-A16 VanDerWaalsContact C-N 3.33Å; N14-F17 PolarHBondContact O-N 3.01Å; N14-W18 WeakPolarHBondContact O-CB 3.32Å; N14-W18 PolarHBondContact O-N 3.49Å |
| 15 | A | 93.8 | Very high | 82.1 | Confident | 33 Ų | 33 | 81.6 Ų | 81.6 | 27% | 0.273 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.2 | -38.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | P11 L12 A13 W18 A19 L31 | P11-A15 WeakPolarHBondContact O-CB 3.43Å; P11-A15 PolarHBondContact O-N 2.69Å; L12-A15 PolarHBondContact O-N 3.05Å; A13-A15 VanDerWaalsContact C-N 3.33Å; A13-A15 PolarHBondContact O-N 3.18Å; A15-W18 PolarHBondContact O-N 3.37Å; A15-A19 WeakPolarHBondContact O-CB 3.41Å; A15-A19 PolarHBondContact O-N 2.79Å; A15-L31 HydrophobicContact CB-CD1 3.93Å |
| 16 | A | 95.4 | Very high | 84.8 | Confident | 0 Ų | 0 | 80.4 Ų | 80.4 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -66.5 | -43.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L12 A13 N14 W18 A19 A20 L31 V37 L49 | L12-A16 PolarHBondContact O-N 3.17Å; A13-A16 WeakPolarHBondContact O-CA 3.31Å; A13-A16 WeakPolarHBondContact O-CB 3.34Å; A13-A16 PolarHBondContact O-N 3.15Å; N14-A16 VanDerWaalsContact C-N 3.33Å; A16-W18 VanDerWaalsContact C-N 3.33Å; A16-W18 PolarHBondContact O-N 3.25Å; A16-A19 PolarHBondContact O-N 3Å; A16-A20 WeakPolarHBondContact O-CB 3.35Å; A16-A20 PolarHBondContact O-N 3.35Å; A16-L31 HydrophobicContact CB-CD1 3.98Å; A16-V37 HydrophobicContact CB-CG1 3.91Å; A16-L49 VanDerWaalsContact C-CD2 3.48Å; A16-L49 HydrophobicContact CB-CD1 4.07Å; A16-L49 HydrophobicContact CB-CD2 3.84Å |
| 17 | F | 95.6 | Very high | 87.2 | Confident | 25 Ų | 25 | 75.7 Ų | 75.7 | 11% | 0.11 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60.4 | -42.3 | 173.6 | -82.6 | -71.2 | 0 | 0 | 0 | 112.1 | A13 N14 A20 R21 D43 T47 L49 V52 | A13-F17 WeakPolarHBondContact O-CD2 3.24Å; A13-F17 PolarHBondContact O-N 3.32Å; N14-F17 PolarHBondContact O-N 3.01Å; F17-A20 PolarHBondContact O-N 2.87Å; F17-R21 VanDerWaalsContact O-CB 3.26Å; F17-R21 WeakPolarHBondContact O-CB 3.27Å; F17-R21 PolarHBondContact O-N 3.41Å; F17-D43 HydrophobicContact CE2-CB 4.29Å; F17-D43 HydrophobicContact CZ-CB 4.12Å; F17-T47 WeakPolarHBondContact CE1-O 3.47Å; F17-T47 WeakPolarHBondContact CZ-O 3.5Å; F17-L49 HydrophobicContact CB-CD2 4.31Å; F17-L49 HydrophobicContact CD1-CD2 3.69Å; F17-L49 HydrophobicContact CD2-CD2 4.12Å; F17-L49 HydrophobicContact CE1-CD2 3.94Å; F17-L49 HydrophobicContact CE2-CD2 4.31Å; F17-L49 HydrophobicContact CG-CD2 3.78Å; F17-L49 HydrophobicContact CZ-CD2 4.22Å; F17-V52 HydrophobicContact CD1-CG2 3.82Å; F17-V52 HydrophobicContact CE1-CG2 4.1Å |
| 18 | W | 95.6 | Very high | 89.7 | Confident | 134 Ų | 134 | 66.4 Ų | 66.4 | 51% | 0.508 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 175.1 | -176.7 | 93.9 | 0 | 0 | 0 | 111.8 | N14 A15 A16 R21 R22 L27 | N14-W18 WeakPolarHBondContact O-CB 3.32Å; N14-W18 PolarHBondContact O-N 3.49Å; A15-W18 PolarHBondContact O-N 3.37Å; A16-W18 VanDerWaalsContact C-N 3.33Å; A16-W18 PolarHBondContact O-N 3.25Å; W18-R21 PolarHBondContact O-N 3.18Å; W18-R22 HydrophobicContact CD2-CG 4Å; W18-R22 HydrophobicContact CE3-CG 4.45Å; W18-R22 HydrophobicContact CG-CG 4.48Å; W18-R22 HydrophobicContact CH2-CG 4.33Å; W18-R22 HydrophobicContact CZ2-CG 3.86Å; W18-R22 WeakPolarHBondContact O-CB 3.37Å; W18-R22 WeakPolarHBondContact O-CG 3.26Å; W18-R22 PolarHBondContact O-N 3.01Å; W18-L27 HydrophobicContact CE3-CD2 4.12Å; W18-L27 HydrophobicContact CZ3-CD2 4.05Å |
| 19 | A | 96.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61 | -47.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A15 A16 R21 R22 G23 N24 L27 L28 | A15-A19 WeakPolarHBondContact O-CB 3.41Å; A15-A19 PolarHBondContact O-N 2.79Å; A16-A19 PolarHBondContact O-N 3Å; A19-R21 PolarHBondContact O-N 3.2Å; A19-R22 PolarHBondContact O-N 3.47Å; A19-G23 PolarHBondContact O-N 3.04Å; A19-N24 HydrophobicContact CB-CB 4.38Å; A19-N24 PolarHBondContact O-N 3.46Å; A19-L27 HydrophobicContact CB-CB 4.14Å; A19-L27 HydrophobicContact CB-CD2 3.96Å; A19-L27 HydrophobicContact CB-CG 3.99Å; A19-L28 HydrophobicContact CB-CB 4.13Å |
| 20 | A | 96.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.2 | -41.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | A16 F17 R22 G23 L28 L49 V52 A53 H58 | A16-A20 WeakPolarHBondContact O-CB 3.35Å; A16-A20 PolarHBondContact O-N 3.35Å; F17-A20 PolarHBondContact O-N 2.87Å; A20-R22 PolarHBondContact O-N 3.32Å; A20-G23 PolarHBondContact O-N 3.39Å; A20-L28 HydrophobicContact CB-CD1 4.44Å; A20-L49 HydrophobicContact CB-CD2 4.35Å; A20-V52 HydrophobicContact CB-CG1 4.35Å; A20-A53 HydrophobicContact CB-CB 4.39Å; A20-H58 PolarHBondContact O-CD2 3.15Å |
| 21 | R | 96.3 | Very high | 94.6 | Very high | 176 Ų | 176 | 60 Ų | 60 | 66% | 0.664 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -68.5 | -31.4 | 179.2 | -173.2 | 173.5 | 176.5 | 174.4 | 0.4 | 113.9 | F17 W18 A19 V52 H58 | F17-R21 VanDerWaalsContact O-CB 3.26Å; F17-R21 WeakPolarHBondContact O-CB 3.27Å; F17-R21 PolarHBondContact O-N 3.41Å; W18-R21 PolarHBondContact O-N 3.18Å; A19-R21 PolarHBondContact O-N 3.2Å; R21-V52 HydrophobicContact CB-CG1 3.56Å; R21-V52 HydrophobicContact CG-CG1 4.19Å; R21-H58 PolarHBondContact O-NE2 3.28Å |
| 22 | R | 97.2 | Very high | 94.9 | Very high | 169 Ų | 169 | 55.3 Ų | 55.3 | 64% | 0.638 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -95.5 | -4.4 | -179.5 | -67.3 | -63.2 | -168 | 176.3 | 2.7 | 113.2 | W18 A19 A20 N24 | W18-R22 HydrophobicContact CD2-CG 4Å; W18-R22 HydrophobicContact CE3-CG 4.45Å; W18-R22 HydrophobicContact CG-CG 4.48Å; W18-R22 HydrophobicContact CH2-CG 4.33Å; W18-R22 HydrophobicContact CZ2-CG 3.86Å; W18-R22 WeakPolarHBondContact O-CB 3.37Å; W18-R22 WeakPolarHBondContact O-CG 3.26Å; W18-R22 PolarHBondContact O-N 3.01Å; A19-R22 PolarHBondContact O-N 3.47Å; A20-R22 PolarHBondContact O-N 3.32Å; R22-N24 VanDerWaalsContact C-N 3.27Å; R22-N24 PolarHBondContact O-N 2.96Å |
| 23 | G | 96.2 | Very high | 95.1 | Very high | 27 Ų | 27 | 57.5 Ų | 57.5 | 28% | 0.278 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 21.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A19 A20 L25 H58 | A19-G23 PolarHBondContact O-N 3.04Å; A20-G23 PolarHBondContact O-N 3.39Å; G23-L25 VanDerWaalsContact C-N 3.28Å; G23-L25 PolarHBondContact O-N 2.87Å; G23-H58 WeakPolarHBondContact CA-CD2 3.46Å; G23-H58 VanDerWaalsContact CA-CG 3.43Å; G23-H58 PolarHBondContact N-CD2 2.84Å; G23-H58 PolarHBondContact N-NE2 2.99Å |
| 24 | N | 97.5 | Very high | 95.1 | Very high | 59 Ų | 59 | 59.4 Ų | 59.4 | 32% | 0.316 | 30% | 0.301 | S | S | . | . | trans | -79 | 80.8 | 178.3 | -170.6 | -21.8 | 0 | 0 | 0 | 110.1 | A19 R22 A26 L27 L28 | A19-N24 HydrophobicContact CB-CB 4.38Å; A19-N24 PolarHBondContact O-N 3.46Å; R22-N24 VanDerWaalsContact C-N 3.27Å; R22-N24 PolarHBondContact O-N 2.96Å; N24-A26 VanDerWaalsContact C-N 3.3Å; N24-A26 PolarHBondContact O-N 3.19Å; N24-A26 PolarHBondContact OD1-N 3.14Å; N24-L27 HydrophobicContact CB-CB 4.26Å; N24-L27 PolarHBondContact O-N 3.35Å; N24-L27 WeakPolarHBondContact OD1-CB 3.44Å; N24-L27 PolarHBondContact OD1-N 3.09Å; N24-L28 WeakPolarHBondContact O-CB 2.81Å; N24-L28 PolarHBondContact O-N 3.42Å | ||
| 25 | L | 97 | Very high | 94.8 | Very high | 47 Ų | 47 | 59.3 Ų | 59.3 | 25% | 0.246 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -56.7 | -41.4 | -178.8 | -179.4 | 65.5 | 0 | 0 | 0 | 112.8 | G23 L28 K29 D60 E64 | G23-L25 VanDerWaalsContact C-N 3.28Å; G23-L25 PolarHBondContact O-N 2.87Å; L25-L28 PolarHBondContact O-N 3.35Å; L25-K29 HydrophobicContact CD1-CD 4.27Å; L25-K29 HydrophobicContact CD1-CG 4.24Å; L25-K29 HydrophobicContact CG-CD 4.09Å; L25-K29 HydrophobicContact CG-CG 4.42Å; L25-K29 WeakPolarHBondContact O-CB 3.4Å; L25-K29 WeakPolarHBondContact O-CG 3.16Å; L25-K29 PolarHBondContact O-N 3.03Å; L25-D60 HydrophobicContact CD2-CB 4.06Å; L25-E64 HydrophobicContact CD1-CB 3.73Å; L25-E64 HydrophobicContact CD1-CG 4.16Å |
| 26 | A | 96.9 | Very high | 94.4 | Very high | 73 Ų | 73 | 66.9 Ų | 66.9 | 60% | 0.603 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -63.4 | -46.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | N24 L30 | N24-A26 VanDerWaalsContact C-N 3.3Å; N24-A26 PolarHBondContact O-N 3.19Å; N24-A26 PolarHBondContact OD1-N 3.14Å; A26-L30 WeakPolarHBondContact O-CB 3.22Å; A26-L30 PolarHBondContact O-N 3.03Å |
| 27 | L | 95.9 | Very high | 94 | Very high | 54 Ų | 54 | 67.5 Ų | 67.5 | 28% | 0.283 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -66.3 | -42 | 176.4 | -179.1 | 59.4 | 0 | 0 | 0 | 111.4 | W18 A19 N24 K29 L30 L31 | W18-L27 HydrophobicContact CE3-CD2 4.12Å; W18-L27 HydrophobicContact CZ3-CD2 4.05Å; A19-L27 HydrophobicContact CB-CB 4.14Å; A19-L27 HydrophobicContact CB-CD2 3.96Å; A19-L27 HydrophobicContact CB-CG 3.99Å; N24-L27 HydrophobicContact CB-CB 4.26Å; N24-L27 PolarHBondContact O-N 3.35Å; N24-L27 WeakPolarHBondContact OD1-CB 3.44Å; N24-L27 PolarHBondContact OD1-N 3.09Å; L27-K29 PolarHBondContact O-N 3.39Å; L27-L30 PolarHBondContact O-N 3.34Å; L27-L31 HydrophobicContact CD1-CD1 4.09Å; L27-L31 HydrophobicContact CD1-CG 4.16Å; L27-L31 HydrophobicContact CG-CD1 3.96Å; L27-L31 HydrophobicContact CG-CG 4.45Å; L27-L31 VanDerWaalsContact O-CG 3.31Å; L27-L31 WeakPolarHBondContact O-CG 3.3Å; L27-L31 PolarHBondContact O-N 2.9Å |
| 28 | L | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.3 | -47.8 | 177.9 | -174.2 | 63.7 | 0 | 0 | 0 | 111.3 | A19 A20 N24 L25 L30 L31 L32 L49 C61 L65 | A19-L28 HydrophobicContact CB-CB 4.13Å; A20-L28 HydrophobicContact CB-CD1 4.44Å; N24-L28 WeakPolarHBondContact O-CB 2.81Å; N24-L28 PolarHBondContact O-N 3.42Å; L25-L28 PolarHBondContact O-N 3.35Å; L28-L30 PolarHBondContact O-N 2.96Å; L28-L31 PolarHBondContact O-N 3.2Å; L28-L32 HydrophobicContact CD1-CD1 4.2Å; L28-L32 HydrophobicContact CD1-CG 4.46Å; L28-L32 HydrophobicContact CG-CD1 3.98Å; L28-L32 WeakPolarHBondContact O-CG 3.2Å; L28-L32 PolarHBondContact O-N 3.37Å; L28-L49 HydrophobicContact CD1-CD1 4.31Å; L28-C61 HydrophobicContact CD2-CB 3.78Å; L28-L65 HydrophobicContact CD1-CD2 4.42Å; L28-L65 HydrophobicContact CD2-CD1 4.21Å; L28-L65 HydrophobicContact CD2-CD2 4.27Å; L28-L65 HydrophobicContact CD2-CG 4.06Å |
| 29 | K | 95.6 | Very high | 93.8 | Very high | 75 Ų | 75 | 66 Ų | 66 | 33% | 0.326 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -57.8 | -47.1 | 175.3 | -79.6 | -179.9 | 166.1 | -179.2 | 0 | 112.4 | L25 L27 L31 L32 N33 E64 | L25-K29 HydrophobicContact CD1-CD 4.27Å; L25-K29 HydrophobicContact CD1-CG 4.24Å; L25-K29 HydrophobicContact CG-CD 4.09Å; L25-K29 HydrophobicContact CG-CG 4.42Å; L25-K29 WeakPolarHBondContact O-CB 3.4Å; L25-K29 WeakPolarHBondContact O-CG 3.16Å; L25-K29 PolarHBondContact O-N 3.03Å; L27-K29 PolarHBondContact O-N 3.39Å; K29-L31 VanDerWaalsContact C-N 3.32Å; K29-L31 PolarHBondContact O-N 3Å; K29-L32 PolarHBondContact O-N 2.91Å; K29-N33 VanDerWaalsContact O-CB 3.24Å; K29-N33 WeakPolarHBondContact O-CB 3.45Å; K29-N33 PolarHBondContact O-N 3.4Å; K29-N33 PolarHBondContact O-ND2 3.27Å; K29-E64 WeakPolarHBondContact CE-OE2 3.14Å; K29-E64 HydrophobicContact CG-CG 3.78Å; K29-E64 IonicContact NZ-OE2 3.37Å; K29-E64 PolarHBondContact NZ-OE2 3.31Å |
| 30 | L | 95.1 | Very high | 93.7 | Very high | 115 Ų | 115 | 67.7 Ų | 67.7 | 60% | 0.602 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -59.9 | -44.4 | 179.4 | -173.3 | 156 | 0 | 0 | 0 | 111.1 | A26 L27 L28 S34 | A26-L30 WeakPolarHBondContact O-CB 3.22Å; A26-L30 PolarHBondContact O-N 3.03Å; L27-L30 PolarHBondContact O-N 3.34Å; L28-L30 PolarHBondContact O-N 2.96Å; L30-S34 PolarHBondContact O-N 2.99Å; L30-S34 VanDerWaalsContact O-N 3.14Å |
| 31 | L | 93.9 | Very high | 93.5 | Very high | 11 Ų | 11 | 68.7 Ų | 68.7 | 6% | 0.058 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.3 | -43.7 | -179.5 | -70 | 171.2 | 0 | 0 | 0 | 112.3 | L12 A15 A16 L27 L28 K29 S34 V37 | L12-L31 HydrophobicContact CD2-CD2 3.97Å; A15-L31 HydrophobicContact CB-CD1 3.93Å; A16-L31 HydrophobicContact CB-CD1 3.98Å; L27-L31 HydrophobicContact CD1-CD1 4.09Å; L27-L31 HydrophobicContact CD1-CG 4.16Å; L27-L31 HydrophobicContact CG-CD1 3.96Å; L27-L31 HydrophobicContact CG-CG 4.45Å; L27-L31 VanDerWaalsContact O-CG 3.31Å; L27-L31 WeakPolarHBondContact O-CG 3.3Å; L27-L31 PolarHBondContact O-N 2.9Å; L28-L31 PolarHBondContact O-N 3.2Å; K29-L31 VanDerWaalsContact C-N 3.32Å; K29-L31 PolarHBondContact O-N 3Å; L31-S34 WeakPolarHBondContact O-CB 3.24Å; L31-S34 PolarHBondContact O-N 3.34Å; L31-S34 PolarHBondContact O-OG 3.17Å; L31-V37 HydrophobicContact CB-CG2 4.46Å |
| 32 | L | 92.2 | Very high | 93.4 | Very high | 14 Ų | 14 | 66.7 Ų | 66.7 | 7% | 0.073 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.5 | -46.4 | 178 | -66.6 | 171.3 | 0 | 0 | 0 | 111.5 | L28 K29 S34 G35 V37 V39 L49 L65 Q68 | L28-L32 HydrophobicContact CD1-CD1 4.2Å; L28-L32 HydrophobicContact CD1-CG 4.46Å; L28-L32 HydrophobicContact CG-CD1 3.98Å; L28-L32 WeakPolarHBondContact O-CG 3.2Å; L28-L32 PolarHBondContact O-N 3.37Å; K29-L32 PolarHBondContact O-N 2.91Å; L32-S34 PolarHBondContact O-N 3.47Å; L32-S34 VanDerWaalsContact O-N 3.16Å; L32-G35 PolarHBondContact O-N 3.14Å; L32-V37 HydrophobicContact CD2-CG1 4.49Å; L32-V39 HydrophobicContact CD2-CB 4.18Å; L32-V39 HydrophobicContact CD2-CG2 4.22Å; L32-L49 HydrophobicContact CD2-CD1 4.15Å; L32-L65 HydrophobicContact CD1-CD2 3.78Å; L32-Q68 HydrophobicContact CD1-CG 4.24Å |
| 33 | N | 93.1 | Very high | 93.2 | Very high | 110 Ų | 110 | 60.6 Ų | 60.6 | 59% | 0.588 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -66.5 | -18.5 | 179.4 | -68.8 | -15.3 | 0 | 0 | 0 | 113.4 | K29 G35 Q68 | K29-N33 VanDerWaalsContact O-CB 3.24Å; K29-N33 WeakPolarHBondContact O-CB 3.45Å; K29-N33 PolarHBondContact O-N 3.4Å; K29-N33 PolarHBondContact O-ND2 3.27Å; N33-G35 PolarHBondContact O-N 3.16Å; N33-Q68 PolarHBondContact OD1-NE2 3.29Å |
| 34 | S | 89.6 | Confident | 93 | Very high | 54 Ų | 54 | 63 Ų | 63 | 38% | 0.378 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -15.5 | 173.6 | 79.8 | 0 | 0 | 0 | 0 | 113.2 | L30 L31 L32 R36 | L30-S34 PolarHBondContact O-N 2.99Å; L30-S34 VanDerWaalsContact O-N 3.14Å; L31-S34 WeakPolarHBondContact O-CB 3.24Å; L31-S34 PolarHBondContact O-N 3.34Å; L31-S34 PolarHBondContact O-OG 3.17Å; L32-S34 PolarHBondContact O-N 3.47Å; L32-S34 VanDerWaalsContact O-N 3.16Å; S34-R36 PolarHBondContact O-N 2.98Å; S34-R36 VanDerWaalsContact O-N 3.17Å; S34-R36 PolarHBondContact OG-N 3.31Å |
| 35 | G | 84.3 | Confident | 92.8 | Very high | 70 Ų | 70 | 65 Ų | 65 | 72% | 0.722 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.4 | 3.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L32 N33 | L32-G35 PolarHBondContact O-N 3.14Å; N33-G35 PolarHBondContact O-N 3.16Å |
| 36 | R | 85.1 | Confident | 92.6 | Very high | 192 Ų | 192 | 63.3 Ų | 63.3 | 73% | 0.725 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -91 | -13.3 | -178.5 | -59.8 | -175.3 | -179.2 | -161.4 | 0.1 | 113.6 | L12 S34 | L12-R36 HydrophobicContact CD1-CB 3.94Å; S34-R36 PolarHBondContact O-N 2.98Å; S34-R36 VanDerWaalsContact O-N 3.17Å; S34-R36 PolarHBondContact OG-N 3.31Å |
| 37 | V | 88.5 | Confident | 92.6 | Very high | 12 Ų | 12 | 60.6 Ų | 60.6 | 7% | 0.073 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -120.7 | 120.7 | 178.8 | -178.8 | 0 | 0 | 0 | 0 | 107.8 | L12 A16 L31 L32 L49 | L12-V37 HydrophobicContact CB-CG2 3.9Å; A16-V37 HydrophobicContact CB-CG1 3.91Å; L31-V37 HydrophobicContact CB-CG2 4.46Å; L32-V37 HydrophobicContact CD2-CG1 4.49Å; V37-L49 HydrophobicContact CG1-CD1 4.39Å |
| 38 | D | 91.8 | Very high | 92.7 | Very high | 108 Ų | 108 | 58 Ų | 58 | 58% | 0.578 | 31% | 0.311 | S | S | * | . | trans | -68.5 | 133.4 | 170.4 | -171.2 | -9.5 | 0 | 0 | 0 | 109.3 | D40 C41 | D38-D40 PolarHBondContact O-N 2.95Å; D38-D40 PolarHBondContact OD1-N 3.22Å; D38-C41 HydrophobicContact CB-CB 4.26Å; D38-C41 WeakPolarHBondContact O-CB 3.45Å; D38-C41 PolarHBondContact O-N 2.97Å; D38-C41 PolarHBondContact O-SG 3.31Å | ||
| 39 | V | 93.8 | Very high | 92.7 | Very high | 19 Ų | 19 | 58 Ų | 58 | 12% | 0.115 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -32 | 179.7 | 71.2 | 0 | 0 | 0 | 0 | 111.3 | L32 C41 L65 Q68 A70 | L32-V39 HydrophobicContact CD2-CB 4.18Å; L32-V39 HydrophobicContact CD2-CG2 4.22Å; V39-C41 VanDerWaalsContact C-N 3.35Å; V39-L65 HydrophobicContact CG2-CD2 3.76Å; V39-Q68 HydrophobicContact CG2-CB 4.04Å; V39-A70 HydrophobicContact CG1-CB 4.47Å; V39-A70 HydrophobicContact CG2-CB 3.81Å |
| 40 | D | 95.5 | Very high | 92.9 | Very high | 37 Ų | 37 | 54.5 Ų | 54.5 | 20% | 0.198 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 21 | 176.8 | -72.2 | -28.8 | 0 | 0 | 0 | 112.7 | D38 R42 A70 D71 L74 | D38-D40 PolarHBondContact O-N 2.95Å; D38-D40 PolarHBondContact OD1-N 3.22Å; D40-R42 WeakPolarHBondContact O-CG 3.43Å; D40-A70 WeakPolarHBondContact OD1-CA 3.39Å; D40-D71 PolarHBondContact OD1-N 3.18Å; D40-D71 PolarHBondContact OD2-N 3.25Å; D40-L74 HydrophobicContact CB-CD1 3.95Å |
| 41 | C | 92.9 | Very high | 93 | Very high | 21 Ų | 21 | 49.1 Ų | 49.1 | 14% | 0.142 | 27% | 0.267 | C | S | . | . | trans | -57.2 | 144.6 | 174.2 | 66.8 | 0 | 0 | 0 | 0 | 111.1 | D38 V39 T48 | D38-C41 HydrophobicContact CB-CB 4.26Å; D38-C41 WeakPolarHBondContact O-CB 3.45Å; D38-C41 PolarHBondContact O-N 2.97Å; D38-C41 PolarHBondContact O-SG 3.31Å; V39-C41 VanDerWaalsContact C-N 3.35Å; C41-T48 WeakPolarHBondContact O-CA 3.45Å | ||
| 42 | R | 93.9 | Very high | 93.2 | Very high | 134 Ų | 134 | 49.8 Ų | 49.8 | 51% | 0.506 | 27% | 0.272 | S | S | . | . | B | Isolated β-bridge | trans | -121.8 | 138.6 | -174.6 | -63.9 | -173.4 | -174.2 | 123.3 | 5 | 111 | D40 T47 T48 L74 | D40-R42 WeakPolarHBondContact O-CG 3.43Å; R42-T47 VanDerWaalsContact CA-O 3.32Å; R42-T47 WeakPolarHBondContact CA-O 3.38Å; R42-T48 HydrophobicContact CG-CG2 4.04Å; R42-L74 VanDerWaalsContact NH2-CD1 3.25Å |
| 43 | D | 92.1 | Very high | 93.5 | Very high | 40 Ų | 40 | 49.1 Ų | 49.1 | 21% | 0.214 | 27% | 0.269 | C | S | . | . | trans | -73.4 | 180 | 167.3 | 76.6 | 0.3 | 0 | 0 | 0 | 111.5 | F17 H45 G46 T47 | F17-D43 HydrophobicContact CE2-CB 4.29Å; F17-D43 HydrophobicContact CZ-CB 4.12Å; D43-H45 PolarHBondContact O-N 3.04Å; D43-H45 WeakPolarHBondContact OD1-CA 3.48Å; D43-H45 PolarHBondContact OD1-N 3.17Å; D43-G46 PolarHBondContact O-N 3.49Å; D43-G46 PolarHBondContact OD1-N 3.3Å; D43-G46 VanDerWaalsContact OD1-N 3.12Å; D43-T47 VanDerWaalsContact CG-CB 3.43Å; D43-T47 PolarHBondContact N-O 3.28Å; D43-T47 WeakPolarHBondContact OD1-CA 3.29Å; D43-T47 VanDerWaalsContact OD1-CB 3.24Å; D43-T47 WeakPolarHBondContact OD1-CB 3.3Å; D43-T47 PolarHBondContact OD1-N 3.17Å; D43-T47 PolarHBondContact OD1-OG1 3.16Å; D43-T47 VanDerWaalsContact OD2-CB 3.29Å; D43-T47 WeakPolarHBondContact OD2-CB 3.26Å; D43-T47 PolarHBondContact OD2-OG1 3.32Å; D43-T47 VanDerWaalsContact OD2-OG1 3.08Å | ||
| 44 | S | 92 | Very high | 93.8 | Very high | 78 Ų | 78 | 43.9 Ų | 43.9 | 55% | 0.545 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -15 | 176 | 45.3 | 0 | 0 | 0 | 0 | 116 | E9 | E9-S44 PolarHBondContact OE1-N 3.01Å; E9-S44 PolarHBondContact OE1-OG 3.49Å |
| 45 | H | 92.7 | Very high | 94.2 | Very high | 100 Ų | 100 | 46.7 Ų | 46.7 | 46% | 0.463 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 7.9 | 178.5 | -56.4 | 87 | 0 | 0 | 0 | 112.9 | D43 T47 R76 E77 | D43-H45 PolarHBondContact O-N 3.04Å; D43-H45 WeakPolarHBondContact OD1-CA 3.48Å; D43-H45 PolarHBondContact OD1-N 3.17Å; H45-T47 VanDerWaalsContact C-N 3.35Å; H45-R76 WeakPolarHBondContact O-CB 3.32Å; H45-E77 WeakPolarHBondContact O-CG 3.34Å; H45-E77 PolarHBondContact O-N 3.38Å |
| 46 | G | 94.7 | Very high | 94.9 | Very high | 12 Ų | 12 | 44.9 Ų | 44.9 | 12% | 0.124 | 22% | 0.222 | C | C | . | . | trans | 79.4 | 11.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | D43 R76 | D43-G46 PolarHBondContact O-N 3.49Å; D43-G46 PolarHBondContact OD1-N 3.3Å; D43-G46 VanDerWaalsContact OD1-N 3.12Å; G46-R76 WeakPolarHBondContact O-CA 3.35Å; G46-R76 WeakPolarHBondContact O-CB 3.48Å | ||
| 47 | T | 96.4 | Very high | 95.5 | Very high | 16 Ų | 16 | 36.5 Ų | 36.5 | 10% | 0.098 | 20% | 0.195 | C | C | . | . | trans | -75.5 | 131.5 | -178.1 | -42.8 | 0 | 0 | 0 | 0 | 110.4 | F17 R42 D43 H45 M51 V52 | F17-T47 WeakPolarHBondContact CE1-O 3.47Å; F17-T47 WeakPolarHBondContact CZ-O 3.5Å; R42-T47 VanDerWaalsContact CA-O 3.32Å; R42-T47 WeakPolarHBondContact CA-O 3.38Å; D43-T47 VanDerWaalsContact CG-CB 3.43Å; D43-T47 PolarHBondContact N-O 3.28Å; D43-T47 WeakPolarHBondContact OD1-CA 3.29Å; D43-T47 VanDerWaalsContact OD1-CB 3.24Å; D43-T47 WeakPolarHBondContact OD1-CB 3.3Å; D43-T47 PolarHBondContact OD1-N 3.17Å; D43-T47 PolarHBondContact OD1-OG1 3.16Å; D43-T47 VanDerWaalsContact OD2-CB 3.29Å; D43-T47 WeakPolarHBondContact OD2-CB 3.26Å; D43-T47 PolarHBondContact OD2-OG1 3.32Å; D43-T47 VanDerWaalsContact OD2-OG1 3.08Å; H45-T47 VanDerWaalsContact C-N 3.35Å; T47-M51 HydrophobicContact CG2-CB 3.85Å; T47-M51 HydrophobicContact CG2-SD 4.1Å; T47-V52 HydrophobicContact CG2-CG2 3.74Å | ||
| 48 | T | 97.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | B | Isolated β-bridge | trans | -94.9 | 165.5 | 177.1 | 66.5 | 0 | 0 | 0 | 0 | 112.6 | C41 R42 L50 M51 V52 L74 | C41-T48 WeakPolarHBondContact O-CA 3.45Å; R42-T48 HydrophobicContact CG-CG2 4.04Å; T48-L50 PolarHBondContact O-N 3.37Å; T48-M51 HydrophobicContact CG2-CE 4.29Å; T48-M51 PolarHBondContact N-SD 2.84Å; T48-M51 WeakPolarHBondContact O-CB 3.47Å; T48-M51 PolarHBondContact O-N 3.14Å; T48-M51 WeakPolarHBondContact OG1-CG 3.41Å; T48-M51 PolarHBondContact OG1-N 3.39Å; T48-V52 PolarHBondContact O-N 3.48Å; T48-L74 HydrophobicContact CG2-CB 4.25Å; T48-L74 HydrophobicContact CG2-CD1 3.77Å |
| 49 | L | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.7 | -40.1 | 172.4 | -63.2 | 177.2 | 0 | 0 | 0 | 111.8 | A16 F17 A20 L28 L32 V37 V52 A53 L65 | A16-L49 VanDerWaalsContact C-CD2 3.48Å; A16-L49 HydrophobicContact CB-CD1 4.07Å; A16-L49 HydrophobicContact CB-CD2 3.84Å; F17-L49 HydrophobicContact CB-CD2 4.31Å; F17-L49 HydrophobicContact CD1-CD2 3.69Å; F17-L49 HydrophobicContact CD2-CD2 4.12Å; F17-L49 HydrophobicContact CE1-CD2 3.94Å; F17-L49 HydrophobicContact CE2-CD2 4.31Å; F17-L49 HydrophobicContact CG-CD2 3.78Å; F17-L49 HydrophobicContact CZ-CD2 4.22Å; A20-L49 HydrophobicContact CB-CD2 4.35Å; L28-L49 HydrophobicContact CD1-CD1 4.31Å; L32-L49 HydrophobicContact CD2-CD1 4.15Å; V37-L49 HydrophobicContact CG1-CD1 4.39Å; L49-V52 PolarHBondContact O-N 3.13Å; L49-A53 PolarHBondContact O-N 3.44Å; L49-L65 HydrophobicContact CB-CD1 3.93Å; L49-L65 HydrophobicContact CB-CD2 3.79Å; L49-L65 HydrophobicContact CD1-CD2 4.02Å |
| 50 | L | 98.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63 | -42.7 | 179 | -175.9 | 64.9 | 0 | 0 | 0 | 111.6 | T48 V52 A53 A54 V62 L65 V66 A70 I72 A82 L98 | T48-L50 PolarHBondContact O-N 3.37Å; L50-V52 VanDerWaalsContact C-N 3.34Å; L50-V52 PolarHBondContact O-N 3.44Å; L50-A53 PolarHBondContact O-N 2.77Å; L50-A54 WeakPolarHBondContact O-CB 3.29Å; L50-A54 PolarHBondContact O-N 2.94Å; L50-V62 HydrophobicContact CD1-CB 4.37Å; L50-V62 HydrophobicContact CD1-CG1 3.88Å; L50-V62 HydrophobicContact CD1-CG2 4.45Å; L50-L65 HydrophobicContact CB-CD1 4.41Å; L50-L65 HydrophobicContact CD1-CB 4.12Å; L50-L65 HydrophobicContact CD1-CD1 4.45Å; L50-V66 HydrophobicContact CD1-CG2 3.92Å; L50-V66 HydrophobicContact CD2-CG2 4.35Å; L50-A70 HydrophobicContact CB-CB 4.5Å; L50-A70 HydrophobicContact CD2-CB 4.3Å; L50-I72 HydrophobicContact CD2-CB 4.46Å; L50-I72 HydrophobicContact CD2-CG1 4.13Å; L50-A82 HydrophobicContact CD2-CB 4Å; L50-A82 HydrophobicContact CG-CB 3.77Å; L50-L98 HydrophobicContact CD1-CD2 4.34Å; L50-L98 HydrophobicContact CD2-CD2 4.39Å |
| 51 | M | 98.5 | Very high | 96.6 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.7 | -42.6 | 175.1 | -71.7 | 170.9 | -169.6 | 0 | 0 | 112.1 | T47 T48 A54 Y55 L74 R76 T80 A82 F85 | T47-M51 HydrophobicContact CG2-CB 3.85Å; T47-M51 HydrophobicContact CG2-SD 4.1Å; T48-M51 HydrophobicContact CG2-CE 4.29Å; T48-M51 PolarHBondContact N-SD 2.84Å; T48-M51 WeakPolarHBondContact O-CB 3.47Å; T48-M51 PolarHBondContact O-N 3.14Å; T48-M51 WeakPolarHBondContact OG1-CG 3.41Å; T48-M51 PolarHBondContact OG1-N 3.39Å; M51-A54 PolarHBondContact O-N 2.88Å; M51-Y55 WeakPolarHBondContact O-CB 3.4Å; M51-Y55 PolarHBondContact O-N 3.02Å; M51-L74 HydrophobicContact CE-CB 4.25Å; M51-L74 WeakPolarHBondContact CE-O 3.46Å; M51-R76 HydrophobicContact CE-CB 4.21Å; M51-R76 HydrophobicContact SD-CB 3.94Å; M51-T80 WeakPolarHBondContact CE-O 3.37Å; M51-A82 HydrophobicContact CG-CB 4.25Å; M51-F85 HydrophobicContact CB-CD2 3.78Å; M51-F85 HydrophobicContact CB-CE2 3.91Å; M51-F85 HydrophobicContact CG-CD2 4.09Å; M51-F85 HydrophobicContact CG-CE2 4.16Å; M51-F85 HydrophobicContact SD-CE2 4.24Å |
| 52 | V | 98 | Very high | 96.8 | Very high | 26 Ų | 26 | 36 Ų | 36 | 16% | 0.158 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.7 | -44.3 | 179.7 | 174.1 | 0 | 0 | 0 | 0 | 111.6 | F17 A20 R21 T47 T48 L49 L50 A54 Y55 A56 | F17-V52 HydrophobicContact CD1-CG2 3.82Å; F17-V52 HydrophobicContact CE1-CG2 4.1Å; A20-V52 HydrophobicContact CB-CG1 4.35Å; R21-V52 HydrophobicContact CB-CG1 3.56Å; R21-V52 HydrophobicContact CG-CG1 4.19Å; T47-V52 HydrophobicContact CG2-CG2 3.74Å; T48-V52 PolarHBondContact O-N 3.48Å; L49-V52 PolarHBondContact O-N 3.13Å; L50-V52 VanDerWaalsContact C-N 3.34Å; L50-V52 PolarHBondContact O-N 3.44Å; V52-A54 VanDerWaalsContact C-N 3.34Å; V52-Y55 PolarHBondContact O-N 2.92Å; V52-A56 WeakPolarHBondContact O-CB 3.36Å; V52-A56 PolarHBondContact O-N 3.07Å |
| 53 | A | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.2 | -39.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | A20 L49 L50 A56 G57 H58 C61 V62 L65 | A20-A53 HydrophobicContact CB-CB 4.39Å; L49-A53 PolarHBondContact O-N 3.44Å; L50-A53 PolarHBondContact O-N 2.77Å; A53-A56 PolarHBondContact O-N 3.34Å; A53-G57 PolarHBondContact O-N 3.12Å; A53-H58 PolarHBondContact O-N 3.47Å; A53-H58 VanDerWaalsContact O-N 3.09Å; A53-C61 HydrophobicContact CB-CB 3.98Å; A53-V62 HydrophobicContact CB-CG2 3.81Å; A53-L65 HydrophobicContact CB-CD1 3.99Å |
| 54 | A | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67 | -40.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L50 M51 V52 A56 G57 V62 A82 A86 H91 V94 | L50-A54 WeakPolarHBondContact O-CB 3.29Å; L50-A54 PolarHBondContact O-N 2.94Å; M51-A54 PolarHBondContact O-N 2.88Å; V52-A54 VanDerWaalsContact C-N 3.34Å; A54-A56 VanDerWaalsContact C-N 3.33Å; A54-G57 PolarHBondContact O-N 2.85Å; A54-V62 HydrophobicContact CB-CG2 4.43Å; A54-A82 HydrophobicContact CB-CB 3.99Å; A54-A82 WeakPolarHBondContact CB-O 3.45Å; A54-A86 HydrophobicContact CB-CB 4.25Å; A54-H91 PolarHBondContact O-CD2 3.01Å; A54-V94 HydrophobicContact CB-CG1 4.04Å |
| 55 | Y | 98.4 | Very high | 97.6 | Very high | 113 Ų | 113 | 31 Ų | 31 | 44% | 0.443 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -62.8 | -38.3 | 172.8 | -178.3 | -87.8 | 0 | 0 | 0 | 112.3 | M51 V52 G57 F85 Q89 H91 | M51-Y55 WeakPolarHBondContact O-CB 3.4Å; M51-Y55 PolarHBondContact O-N 3.02Å; V52-Y55 PolarHBondContact O-N 2.92Å; Y55-G57 VanDerWaalsContact C-N 3.34Å; Y55-F85 HydrophobicContact CD2-CB 4.19Å; Y55-F85 AromaticContact CD2-CD1 3.6Å; Y55-F85 HydrophobicContact CD2-CD1 3.6Å; Y55-F85 HydrophobicContact CD2-CE1 4.23Å; Y55-F85 HydrophobicContact CD2-CG 4.11Å; Y55-F85 HydrophobicContact CE2-CD1 4.34Å; Y55-Q89 HydrophobicContact CD2-CG 3.92Å; Y55-Q89 HydrophobicContact CE2-CG 4Å; Y55-Q89 HydrophobicContact CG-CG 4.33Å; Y55-Q89 VanDerWaalsContact CZ-NE2 3.26Å; Y55-Q89 WeakPolarHBondContact O-CG 3.43Å; Y55-Q89 PolarHBondContact OH-NE2 3.47Å; Y55-H91 PolarHBondContact O-NE2 3.31Å |
| 56 | A | 97.8 | Very high | 97.8 | Very high | 31 Ų | 31 | 26.9 Ų | 26.9 | 26% | 0.256 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -83.3 | -8.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | V52 A53 A54 H58 | V52-A56 WeakPolarHBondContact O-CB 3.36Å; V52-A56 PolarHBondContact O-N 3.07Å; A53-A56 PolarHBondContact O-N 3.34Å; A54-A56 VanDerWaalsContact C-N 3.33Å; A56-H58 VanDerWaalsContact C-N 3.32Å; A56-H58 VanDerWaalsContact CB-CD2 3.4Å; A56-H58 WeakPolarHBondContact CB-CD2 3.36Å; A56-H58 PolarHBondContact O-N 2.96Å |
| 57 | G | 97.8 | Very high | 97.8 | Very high | 16 Ų | 16 | 32.1 Ų | 32.1 | 17% | 0.165 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 19.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | A53 A54 Y55 I59 H91 | A53-G57 PolarHBondContact O-N 3.12Å; A54-G57 PolarHBondContact O-N 2.85Å; Y55-G57 VanDerWaalsContact C-N 3.34Å; G57-I59 PolarHBondContact O-N 3.08Å; G57-H91 WeakPolarHBondContact CA-CD2 3.46Å; G57-H91 VanDerWaalsContact CA-CG 3.45Å; G57-H91 WeakPolarHBondContact CA-NE2 3.4Å; G57-H91 PolarHBondContact N-CD2 3.44Å; G57-H91 VanDerWaalsContact N-CD2 3.31Å; G57-H91 PolarHBondContact N-NE2 2.92Å |
| 58 | H | 98.3 | Very high | 97.7 | Very high | 62 Ų | 62 | 35.1 Ų | 35.1 | 29% | 0.287 | 17% | 0.174 | S | C | . | . | trans | -83.4 | 80.7 | -178.3 | -64.4 | -43.2 | 0 | 0 | 0 | 110.8 | A20 R21 G23 A53 A56 D60 C61 V62 | A20-H58 PolarHBondContact O-CD2 3.15Å; R21-H58 PolarHBondContact O-NE2 3.28Å; G23-H58 WeakPolarHBondContact CA-CD2 3.46Å; G23-H58 VanDerWaalsContact CA-CG 3.43Å; G23-H58 PolarHBondContact N-CD2 2.84Å; G23-H58 PolarHBondContact N-NE2 2.99Å; A53-H58 PolarHBondContact O-N 3.47Å; A53-H58 VanDerWaalsContact O-N 3.09Å; A56-H58 VanDerWaalsContact C-N 3.32Å; A56-H58 VanDerWaalsContact CB-CD2 3.4Å; A56-H58 WeakPolarHBondContact CB-CD2 3.36Å; A56-H58 PolarHBondContact O-N 2.96Å; H58-D60 VanDerWaalsContact C-N 3.26Å; H58-D60 PolarHBondContact O-N 3.49Å; H58-C61 HydrophobicContact CB-CB 4.1Å; H58-C61 WeakPolarHBondContact O-CB 3.49Å; H58-C61 PolarHBondContact O-N 3.04Å; H58-V62 PolarHBondContact O-N 2.88Å | ||
| 59 | I | 97.9 | Very high | 97.6 | Very high | 28 Ų | 28 | 37.7 Ų | 37.7 | 14% | 0.144 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -53.8 | -38 | -175 | -173.6 | 60.6 | 0 | 0 | 0 | 113.5 | G57 C61 V62 R63 V94 F97 | G57-I59 PolarHBondContact O-N 3.08Å; I59-C61 PolarHBondContact O-N 3.19Å; I59-V62 PolarHBondContact O-N 3.49Å; I59-R63 HydrophobicContact CD1-CG 4.42Å; I59-R63 HydrophobicContact CG1-CG 4.41Å; I59-R63 WeakPolarHBondContact O-CB 3.43Å; I59-R63 VanDerWaalsContact O-CG 3.26Å; I59-R63 WeakPolarHBondContact O-CG 3.44Å; I59-R63 PolarHBondContact O-N 3.06Å; I59-V94 HydrophobicContact CB-CG2 4.26Å; I59-V94 HydrophobicContact CD1-CB 4.46Å; I59-V94 HydrophobicContact CD1-CG2 3.93Å; I59-F97 HydrophobicContact CD1-CB 3.84Å; I59-F97 HydrophobicContact CD1-CG 4.14Å |
| 60 | D | 98.3 | Very high | 97.6 | Very high | 97 Ų | 97 | 38 Ų | 38 | 52% | 0.519 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -67.7 | -37.6 | 179.6 | -62.5 | -38.2 | 0 | 0 | 0 | 112.1 | L25 H58 E64 | L25-D60 HydrophobicContact CD2-CB 4.06Å; H58-D60 VanDerWaalsContact C-N 3.26Å; H58-D60 PolarHBondContact O-N 3.49Å; D60-E64 PolarHBondContact O-N 3.44Å |
| 61 | C | 98.2 | Very high | 97.5 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.007 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.2 | -41.1 | 173.2 | -67.5 | 0 | 0 | 0 | 0 | 111.3 | L28 A53 H58 I59 E64 L65 | L28-C61 HydrophobicContact CD2-CB 3.78Å; A53-C61 HydrophobicContact CB-CB 3.98Å; H58-C61 HydrophobicContact CB-CB 4.1Å; H58-C61 WeakPolarHBondContact O-CB 3.49Å; H58-C61 PolarHBondContact O-N 3.04Å; I59-C61 PolarHBondContact O-N 3.19Å; C61-E64 PolarHBondContact O-N 2.95Å; C61-L65 WeakPolarHBondContact O-CB 3.44Å; C61-L65 WeakPolarHBondContact O-CD1 3.33Å; C61-L65 WeakPolarHBondContact O-CG 3.44Å; C61-L65 PolarHBondContact O-N 3.31Å |
| 62 | V | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.7 | -47.9 | 174.4 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | L50 A53 A54 H58 I59 E64 L65 V66 V94 F97 L98 | L50-V62 HydrophobicContact CD1-CB 4.37Å; L50-V62 HydrophobicContact CD1-CG1 3.88Å; L50-V62 HydrophobicContact CD1-CG2 4.45Å; A53-V62 HydrophobicContact CB-CG2 3.81Å; A54-V62 HydrophobicContact CB-CG2 4.43Å; H58-V62 PolarHBondContact O-N 2.88Å; I59-V62 PolarHBondContact O-N 3.49Å; V62-E64 PolarHBondContact O-N 3.27Å; V62-L65 PolarHBondContact O-N 3.46Å; V62-V66 WeakPolarHBondContact O-CG2 3.45Å; V62-V66 PolarHBondContact O-N 3.47Å; V62-V94 HydrophobicContact CG1-CG1 4.22Å; V62-V94 HydrophobicContact CG2-CG1 4.06Å; V62-V94 HydrophobicContact CG2-CG2 4.32Å; V62-F97 HydrophobicContact CG1-CD1 3.74Å; V62-F97 HydrophobicContact CG1-CE1 4.05Å; V62-L98 HydrophobicContact CG1-CD2 4.03Å |
| 63 | R | 98.1 | Very high | 97.5 | Very high | 123 Ų | 123 | 43 Ų | 43 | 46% | 0.464 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -57 | -49.7 | 177.7 | -75.4 | 175.4 | -174.7 | -141 | 7.3 | 111.5 | I59 V66 L67 F97 | I59-R63 HydrophobicContact CD1-CG 4.42Å; I59-R63 HydrophobicContact CG1-CG 4.41Å; I59-R63 WeakPolarHBondContact O-CB 3.43Å; I59-R63 VanDerWaalsContact O-CG 3.26Å; I59-R63 WeakPolarHBondContact O-CG 3.44Å; I59-R63 PolarHBondContact O-N 3.06Å; R63-V66 PolarHBondContact O-N 3.34Å; R63-L67 WeakPolarHBondContact O-CB 3.4Å; R63-L67 VanDerWaalsContact O-CG 3.24Å; R63-L67 WeakPolarHBondContact O-CG 3.46Å; R63-L67 PolarHBondContact O-N 3.47Å; R63-F97 HydrophobicContact CB-CE1 4.45Å; R63-F97 HydrophobicContact CB-CE2 4.44Å; R63-F97 HydrophobicContact CB-CZ 4.06Å; R63-F97 HydrophobicContact CG-CD1 4.4Å; R63-F97 HydrophobicContact CG-CD2 3.98Å; R63-F97 HydrophobicContact CG-CE1 4.03Å; R63-F97 HydrophobicContact CG-CE2 3.58Å; R63-F97 HydrophobicContact CG-CG 4.37Å; R63-F97 HydrophobicContact CG-CZ 3.62Å |
| 64 | E | 97.5 | Very high | 97.4 | Very high | 23 Ų | 23 | 44.1 Ų | 44.1 | 11% | 0.107 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61 | -47.1 | 179.6 | -175.4 | 61.7 | -160.9 | 0 | 0 | 111.9 | L25 K29 D60 C61 V62 V66 L67 Q68 | L25-E64 HydrophobicContact CD1-CB 3.73Å; L25-E64 HydrophobicContact CD1-CG 4.16Å; K29-E64 WeakPolarHBondContact CE-OE2 3.14Å; K29-E64 HydrophobicContact CG-CG 3.78Å; K29-E64 IonicContact NZ-OE2 3.37Å; K29-E64 PolarHBondContact NZ-OE2 3.31Å; D60-E64 PolarHBondContact O-N 3.44Å; C61-E64 PolarHBondContact O-N 2.95Å; V62-E64 PolarHBondContact O-N 3.27Å; E64-V66 VanDerWaalsContact C-N 3.33Å; E64-V66 PolarHBondContact O-N 3.44Å; E64-L67 PolarHBondContact O-N 3.3Å; E64-Q68 HydrophobicContact CG-CG 4.31Å; E64-Q68 WeakPolarHBondContact O-CB 3.37Å; E64-Q68 WeakPolarHBondContact O-CG 3.31Å; E64-Q68 PolarHBondContact O-N 3.43Å; E64-Q68 PolarHBondContact OE1-NE2 3Å |
| 65 | L | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.9 | -43.5 | -179.8 | -72.2 | 165.5 | 0 | 0 | 0 | 111.8 | L28 L32 V39 L49 L50 A53 C61 V62 Q68 G69 A70 | L28-L65 HydrophobicContact CD1-CD2 4.42Å; L28-L65 HydrophobicContact CD2-CD1 4.21Å; L28-L65 HydrophobicContact CD2-CD2 4.27Å; L28-L65 HydrophobicContact CD2-CG 4.06Å; L32-L65 HydrophobicContact CD1-CD2 3.78Å; V39-L65 HydrophobicContact CG2-CD2 3.76Å; L49-L65 HydrophobicContact CB-CD1 3.93Å; L49-L65 HydrophobicContact CB-CD2 3.79Å; L49-L65 HydrophobicContact CD1-CD2 4.02Å; L50-L65 HydrophobicContact CB-CD1 4.41Å; L50-L65 HydrophobicContact CD1-CB 4.12Å; L50-L65 HydrophobicContact CD1-CD1 4.45Å; A53-L65 HydrophobicContact CB-CD1 3.99Å; C61-L65 WeakPolarHBondContact O-CB 3.44Å; C61-L65 WeakPolarHBondContact O-CD1 3.33Å; C61-L65 WeakPolarHBondContact O-CG 3.44Å; C61-L65 PolarHBondContact O-N 3.31Å; V62-L65 PolarHBondContact O-N 3.46Å; L65-Q68 PolarHBondContact O-N 2.87Å; L65-G69 PolarHBondContact O-N 2.98Å; L65-A70 HydrophobicContact CB-CB 4.22Å; L65-A70 WeakPolarHBondContact O-CB 3.22Å; L65-A70 PolarHBondContact O-N 3.45Å |
| 66 | V | 97.3 | Very high | 97.3 | Very high | 13 Ų | 13 | 45.6 Ų | 45.6 | 8% | 0.079 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.5 | -40.2 | 176.9 | 172.3 | 0 | 0 | 0 | 0 | 111.7 | L50 V62 R63 E64 Q68 G69 I72 F97 L98 F101 | L50-V66 HydrophobicContact CD1-CG2 3.92Å; L50-V66 HydrophobicContact CD2-CG2 4.35Å; V62-V66 WeakPolarHBondContact O-CG2 3.45Å; V62-V66 PolarHBondContact O-N 3.47Å; R63-V66 PolarHBondContact O-N 3.34Å; E64-V66 VanDerWaalsContact C-N 3.33Å; E64-V66 PolarHBondContact O-N 3.44Å; V66-Q68 VanDerWaalsContact C-N 3.27Å; V66-Q68 PolarHBondContact O-N 2.98Å; V66-G69 PolarHBondContact O-N 3.47Å; V66-I72 HydrophobicContact CG1-CD1 4.04Å; V66-I72 HydrophobicContact CG2-CD1 4.2Å; V66-I72 HydrophobicContact CG2-CG1 4.02Å; V66-F97 HydrophobicContact CB-CE1 3.9Å; V66-F97 HydrophobicContact CB-CZ 4.31Å; V66-F97 HydrophobicContact CG1-CE1 4.16Å; V66-F97 HydrophobicContact CG1-CZ 4.36Å; V66-F97 HydrophobicContact CG2-CE1 3.91Å; V66-L98 HydrophobicContact CG2-CD2 4.45Å; V66-F101 HydrophobicContact CG1-CB 4.03Å; V66-F101 HydrophobicContact CG1-CD1 3.4Å; V66-F101 VanDerWaalsContact CG1-CD1 3.4Å; V66-F101 HydrophobicContact CG1-CD2 4.12Å; V66-F101 HydrophobicContact CG1-CE1 3.79Å; V66-F101 HydrophobicContact CG1-CE2 4.49Å; V66-F101 HydrophobicContact CG1-CG 3.59Å; V66-F101 HydrophobicContact CG1-CZ 4.32Å |
| 67 | L | 95.3 | Very high | 97.2 | Very high | 122 Ų | 122 | 49.7 Ų | 49.7 | 64% | 0.639 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -65.6 | -30.1 | 175.6 | -72.2 | 170 | 0 | 0 | 0 | 112.9 | R63 E64 G69 | R63-L67 WeakPolarHBondContact O-CB 3.4Å; R63-L67 VanDerWaalsContact O-CG 3.24Å; R63-L67 WeakPolarHBondContact O-CG 3.46Å; R63-L67 PolarHBondContact O-N 3.47Å; E64-L67 PolarHBondContact O-N 3.3Å; L67-G69 PolarHBondContact O-N 3.13Å |
| 68 | Q | 94.8 | Very high | 97.1 | Very high | 79 Ų | 79 | 50.1 Ų | 50.1 | 37% | 0.369 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 3.2 | 173 | -65.4 | -73.6 | -14.8 | 0 | 0 | 112.9 | L32 N33 V39 E64 L65 V66 | L32-Q68 HydrophobicContact CD1-CG 4.24Å; N33-Q68 PolarHBondContact OD1-NE2 3.29Å; V39-Q68 HydrophobicContact CG2-CB 4.04Å; E64-Q68 HydrophobicContact CG-CG 4.31Å; E64-Q68 WeakPolarHBondContact O-CB 3.37Å; E64-Q68 WeakPolarHBondContact O-CG 3.31Å; E64-Q68 PolarHBondContact O-N 3.43Å; E64-Q68 PolarHBondContact OE1-NE2 3Å; L65-Q68 PolarHBondContact O-N 2.87Å; V66-Q68 VanDerWaalsContact C-N 3.27Å; V66-Q68 PolarHBondContact O-N 2.98Å |
| 69 | G | 94.7 | Very high | 97.1 | Very high | 55 Ų | 55 | 47.7 Ų | 47.7 | 57% | 0.567 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 88.8 | 22.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L65 V66 L67 D71 | L65-G69 PolarHBondContact O-N 2.98Å; V66-G69 PolarHBondContact O-N 3.47Å; L67-G69 PolarHBondContact O-N 3.13Å; G69-D71 PolarHBondContact O-N 3.16Å |
| 70 | A | 96.8 | Very high | 97 | Very high | 8 Ų | 8 | 46.8 Ų | 46.8 | 7% | 0.066 | 25% | 0.245 | C | C | . | . | trans | -57 | 133.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V39 D40 L50 L65 I72 | V39-A70 HydrophobicContact CG1-CB 4.47Å; V39-A70 HydrophobicContact CG2-CB 3.81Å; D40-A70 WeakPolarHBondContact OD1-CA 3.39Å; L50-A70 HydrophobicContact CB-CB 4.5Å; L50-A70 HydrophobicContact CD2-CB 4.3Å; L65-A70 HydrophobicContact CB-CB 4.22Å; L65-A70 WeakPolarHBondContact O-CB 3.22Å; L65-A70 PolarHBondContact O-N 3.45Å; A70-I72 PolarHBondContact O-N 3.46Å | ||
| 71 | D | 97.6 | Very high | 97 | Very high | 73 Ų | 73 | 42.5 Ų | 42.5 | 39% | 0.39 | 22% | 0.223 | S | C | . | . | trans | -74.3 | 111.7 | 172.8 | -180 | -5.5 | 0 | 0 | 0 | 110.2 | D40 G69 N73 L74 | D40-D71 PolarHBondContact OD1-N 3.18Å; D40-D71 PolarHBondContact OD2-N 3.25Å; G69-D71 PolarHBondContact O-N 3.16Å; D71-N73 PolarHBondContact O-N 3.23Å; D71-N73 PolarHBondContact OD1-N 3.26Å; D71-L74 HydrophobicContact CB-CD1 3.93Å; D71-L74 HydrophobicContact CB-CD2 4.17Å; D71-L74 HydrophobicContact CB-CG 3.68Å; D71-L74 WeakPolarHBondContact OD2-CD2 3.45Å | ||
| 72 | I | 97.2 | Very high | 97 | Very high | 14 Ų | 14 | 42.5 Ų | 42.5 | 7% | 0.072 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -29.6 | -175.7 | -69.1 | 166.9 | 0 | 0 | 0 | 112.7 | L50 V66 A70 L98 F101 A103 | L50-I72 HydrophobicContact CD2-CB 4.46Å; L50-I72 HydrophobicContact CD2-CG1 4.13Å; V66-I72 HydrophobicContact CG1-CD1 4.04Å; V66-I72 HydrophobicContact CG2-CD1 4.2Å; V66-I72 HydrophobicContact CG2-CG1 4.02Å; A70-I72 PolarHBondContact O-N 3.46Å; I72-L98 HydrophobicContact CG2-CD2 4.21Å; I72-F101 HydrophobicContact CD1-CB 3.21Å; I72-F101 HydrophobicContact CD1-CG 4.32Å; I72-F101 VanDerWaalsContact CD1-O 3.31Å; I72-F101 WeakPolarHBondContact CD1-O 3.38Å; I72-A103 HydrophobicContact CG2-CB 3.61Å |
| 73 | N | 97.6 | Very high | 97 | Very high | 46 Ų | 46 | 42.6 Ų | 42.6 | 25% | 0.246 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 8 | -167.4 | -74.2 | -42.6 | 0 | 0 | 0 | 112.9 | D71 Q75 G102 S104 F107 | D71-N73 PolarHBondContact O-N 3.23Å; D71-N73 PolarHBondContact OD1-N 3.26Å; N73-Q75 PolarHBondContact O-N 3.34Å; N73-G102 PolarHBondContact ND2-O 3.13Å; N73-S104 PolarHBondContact OD1-N 3.43Å; N73-F107 HydrophobicContact CB-CE2 3.49Å; N73-F107 VanDerWaalsContact CB-CE2 3.49Å; N73-F107 HydrophobicContact CB-CZ 3.82Å; N73-F107 WeakPolarHBondContact OD1-CE2 2.92Å |
| 74 | L | 97.8 | Very high | 97.1 | Very high | 23 Ų | 23 | 38 Ų | 38 | 12% | 0.12 | 21% | 0.206 | C | C | . | . | trans | -59.1 | 139.7 | 173.3 | -67.2 | -179.7 | 0 | 0 | 0 | 111.4 | D40 R42 T48 M51 D71 | D40-L74 HydrophobicContact CB-CD1 3.95Å; R42-L74 VanDerWaalsContact NH2-CD1 3.25Å; T48-L74 HydrophobicContact CG2-CB 4.25Å; T48-L74 HydrophobicContact CG2-CD1 3.77Å; M51-L74 HydrophobicContact CE-CB 4.25Å; M51-L74 WeakPolarHBondContact CE-O 3.46Å; D71-L74 HydrophobicContact CB-CD1 3.93Å; D71-L74 HydrophobicContact CB-CD2 4.17Å; D71-L74 HydrophobicContact CB-CG 3.68Å; D71-L74 WeakPolarHBondContact OD2-CD2 3.45Å | ||
| 75 | Q | 97.4 | Very high | 97.1 | Very high | 77 Ų | 77 | 38.1 Ų | 38.1 | 36% | 0.36 | 21% | 0.207 | S | C | . | . | trans | -108.6 | 137.2 | 173.1 | -68.3 | -177.4 | -68.5 | 0 | 0 | 110 | N73 G79 T80 T81 F107 R108 | N73-Q75 PolarHBondContact O-N 3.34Å; Q75-G79 PolarHBondContact NE2-O 3.01Å; Q75-T80 WeakPolarHBondContact CA-O 3.43Å; Q75-T81 HydrophobicContact CG-CG2 3.7Å; Q75-F107 VanDerWaalsContact CD-CD1 3.45Å; Q75-F107 HydrophobicContact CG-CD1 3.96Å; Q75-F107 HydrophobicContact CG-CE1 4.49Å; Q75-F107 HydrophobicContact CG-CG 4.34Å; Q75-R108 PolarHBondContact NE2-O 3.05Å; Q75-R108 VanDerWaalsContact NE2-O 3.13Å | ||
| 76 | R | 96.3 | Very high | 97.2 | Very high | 66 Ų | 66 | 38.1 Ų | 38.1 | 25% | 0.249 | 21% | 0.207 | C | C | . | . | trans | -78.1 | 178.1 | 167 | 83.9 | -177.1 | -161.1 | 87.1 | 2.4 | 110 | H45 G46 M51 S78 G79 T80 | H45-R76 WeakPolarHBondContact O-CB 3.32Å; G46-R76 WeakPolarHBondContact O-CA 3.35Å; G46-R76 WeakPolarHBondContact O-CB 3.48Å; M51-R76 HydrophobicContact CE-CB 4.21Å; M51-R76 HydrophobicContact SD-CB 3.94Å; R76-S78 WeakPolarHBondContact CG-OG 3.2Å; R76-S78 PolarHBondContact NE-OG 2.63Å; R76-S78 PolarHBondContact NH2-OG 2.68Å; R76-S78 PolarHBondContact O-N 2.81Å; R76-G79 PolarHBondContact O-N 3.16Å; R76-T80 WeakPolarHBondContact CD-OG1 3.42Å; R76-T80 WeakPolarHBondContact CG-OG1 3.26Å; R76-T80 PolarHBondContact N-O 3.13Å; R76-T80 PolarHBondContact NE-OG1 3.46Å | ||
| 77 | E | 96.5 | Very high | 97.2 | Very high | 117 Ų | 117 | 37.5 Ų | 37.5 | 55% | 0.547 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -22 | -176.1 | -69 | -179.2 | 174.7 | 0 | 0 | 115.5 | H45 K110 | H45-E77 WeakPolarHBondContact O-CG 3.34Å; H45-E77 PolarHBondContact O-N 3.38Å; E77-K110 WeakPolarHBondContact O-CE 3.24Å; E77-K110 PolarHBondContact O-NZ 3Å |
| 78 | S | 95.9 | Very high | 97.4 | Very high | 25 Ų | 25 | 33.3 Ų | 33.3 | 18% | 0.175 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -5.6 | 175.5 | 61.8 | 0 | 0 | 0 | 0 | 114.3 | R76 T80 T109 K110 | R76-S78 WeakPolarHBondContact CG-OG 3.2Å; R76-S78 PolarHBondContact NE-OG 2.63Å; R76-S78 PolarHBondContact NH2-OG 2.68Å; R76-S78 PolarHBondContact O-N 2.81Å; S78-T80 PolarHBondContact OG-OG1 3.22Å; S78-T109 CarbonylContact O-C 3.38Å; S78-T109 VanDerWaalsContact O-CA 3.24Å; S78-T109 WeakPolarHBondContact O-CA 3.5Å; S78-T109 WeakPolarHBondContact O-CB 3.19Å; S78-K110 PolarHBondContact O-N 3.48Å |
| 79 | G | 96.8 | Very high | 97.6 | Very high | 12 Ų | 12 | 32.5 Ų | 32.5 | 12% | 0.124 | 18% | 0.177 | C | C | . | . | S | Bend | trans | 83.8 | 3.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q75 R76 | Q75-G79 PolarHBondContact NE2-O 3.01Å; R76-G79 PolarHBondContact O-N 3.16Å |
| 80 | T | 97.4 | Very high | 97.7 | Very high | 9 Ų | 9 | 31 Ų | 31 | 6% | 0.055 | 16% | 0.161 | C | C | . | . | trans | -78.1 | 140.8 | 177.2 | 44.4 | 0 | 0 | 0 | 0 | 112 | M51 Q75 R76 S78 F84 T109 | M51-T80 WeakPolarHBondContact CE-O 3.37Å; Q75-T80 WeakPolarHBondContact CA-O 3.43Å; R76-T80 WeakPolarHBondContact CD-OG1 3.42Å; R76-T80 WeakPolarHBondContact CG-OG1 3.26Å; R76-T80 PolarHBondContact N-O 3.13Å; R76-T80 PolarHBondContact NE-OG1 3.46Å; S78-T80 PolarHBondContact OG-OG1 3.22Å; T80-F84 HydrophobicContact CG2-CD1 3.45Å; T80-F84 VanDerWaalsContact CG2-CD1 3.45Å; T80-F84 HydrophobicContact CG2-CD2 4.36Å; T80-F84 HydrophobicContact CG2-CE1 3.6Å; T80-F84 HydrophobicContact CG2-CE2 4.48Å; T80-F84 HydrophobicContact CG2-CG 3.87Å; T80-F84 HydrophobicContact CG2-CZ 4.12Å; T80-T109 HydrophobicContact CG2-CG2 3.34Å | ||
| 81 | T | 98.3 | Very high | 97.8 | Very high | 6 Ų | 6 | 33 Ų | 33 | 4% | 0.037 | 17% | 0.169 | C | C | . | . | trans | -108.3 | 173.6 | 176.6 | 62.4 | 0 | 0 | 0 | 0 | 111.3 | Q75 L83 F84 F85 F107 | Q75-T81 HydrophobicContact CG-CG2 3.7Å; T81-L83 VanDerWaalsContact C-N 3.3Å; T81-L83 PolarHBondContact O-N 3.49Å; T81-F84 WeakPolarHBondContact O-CB 3.39Å; T81-F84 PolarHBondContact O-N 3.41Å; T81-F84 PolarHBondContact OG1-N 2.85Å; T81-F85 WeakPolarHBondContact O-CD2 3.47Å; T81-F85 PolarHBondContact O-N 3.44Å; T81-F107 HydrophobicContact CG2-CB 3.71Å; T81-F107 HydrophobicContact CG2-CD2 3.93Å; T81-F107 HydrophobicContact CG2-CG 3.86Å | ||
| 82 | A | 98.3 | Very high | 97.9 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.008 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.8 | -39.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L50 M51 A54 F84 F85 A86 L98 | L50-A82 HydrophobicContact CD2-CB 4Å; L50-A82 HydrophobicContact CG-CB 3.77Å; M51-A82 HydrophobicContact CG-CB 4.25Å; A54-A82 HydrophobicContact CB-CB 3.99Å; A54-A82 WeakPolarHBondContact CB-O 3.45Å; A82-F84 VanDerWaalsContact C-N 3.33Å; A82-F84 PolarHBondContact O-N 3.25Å; A82-F85 PolarHBondContact O-N 3.29Å; A82-A86 PolarHBondContact O-N 2.93Å; A82-L98 HydrophobicContact CB-CD1 4.23Å |
| 83 | L | 98.7 | Very high | 97.9 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.016 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.2 | -42.9 | 174.6 | -179.8 | 66.3 | 0 | 0 | 0 | 111.5 | T81 F85 A86 A87 V95 L98 F99 A103 S104 A115 L131 | T81-L83 VanDerWaalsContact C-N 3.3Å; T81-L83 PolarHBondContact O-N 3.49Å; L83-F85 PolarHBondContact O-N 2.94Å; L83-A86 PolarHBondContact O-N 3.28Å; L83-A87 VanDerWaalsContact O-CB 3.22Å; L83-A87 WeakPolarHBondContact O-CB 3.29Å; L83-A87 PolarHBondContact O-N 3.2Å; L83-V95 HydrophobicContact CD1-CB 4.37Å; L83-V95 HydrophobicContact CD1-CG1 3.91Å; L83-V95 HydrophobicContact CD1-CG2 4.25Å; L83-L98 HydrophobicContact CB-CD1 4.36Å; L83-F99 HydrophobicContact CD1-CE2 4.24Å; L83-F99 HydrophobicContact CD1-CZ 4.14Å; L83-F99 HydrophobicContact CD2-CE1 3.98Å; L83-F99 HydrophobicContact CD2-CZ 3.99Å; L83-A103 HydrophobicContact CB-CB 4.46Å; L83-A103 HydrophobicContact CD2-CB 4.21Å; L83-S104 WeakPolarHBondContact CD2-O 3.49Å; L83-A115 HydrophobicContact CD2-CB 4.28Å; L83-A115 HydrophobicContact CG-CB 4.04Å; L83-L131 HydrophobicContact CD1-CD2 4.17Å; L83-L131 HydrophobicContact CD2-CD2 4.32Å; L83-L131 HydrophobicContact CG-CD2 4.4Å |
| 84 | F | 98.6 | Very high | 98 | Very high | 25 Ų | 25 | 31.5 Ų | 31.5 | 11% | 0.11 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.5 | -47.9 | 177 | -174.3 | -79.6 | 0 | 0 | 0 | 111.4 | T80 T81 A82 A87 Q88 T109 A118 | T80-F84 HydrophobicContact CG2-CD1 3.45Å; T80-F84 VanDerWaalsContact CG2-CD1 3.45Å; T80-F84 HydrophobicContact CG2-CD2 4.36Å; T80-F84 HydrophobicContact CG2-CE1 3.6Å; T80-F84 HydrophobicContact CG2-CE2 4.48Å; T80-F84 HydrophobicContact CG2-CG 3.87Å; T80-F84 HydrophobicContact CG2-CZ 4.12Å; T81-F84 WeakPolarHBondContact O-CB 3.39Å; T81-F84 PolarHBondContact O-N 3.41Å; T81-F84 PolarHBondContact OG1-N 2.85Å; A82-F84 VanDerWaalsContact C-N 3.33Å; A82-F84 PolarHBondContact O-N 3.25Å; F84-A87 PolarHBondContact O-N 2.97Å; F84-Q88 WeakPolarHBondContact O-CB 3.21Å; F84-Q88 PolarHBondContact O-N 2.93Å; F84-T109 HydrophobicContact CD2-CG2 3.9Å; F84-T109 HydrophobicContact CE2-CG2 3.54Å; F84-T109 HydrophobicContact CZ-CG2 3.88Å; F84-A118 HydrophobicContact CD2-CB 4.4Å; F84-A118 HydrophobicContact CE1-CB 4.13Å; F84-A118 HydrophobicContact CE2-CB 3.9Å; F84-A118 HydrophobicContact CZ-CB 3.75Å |
| 85 | F | 98.5 | Very high | 98 | Very high | 26 Ų | 26 | 30.4 Ų | 30.4 | 11% | 0.114 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.7 | -42.6 | -179.7 | -74.7 | -53.2 | 0 | 0 | 0 | 113.3 | M51 Y55 T81 A82 L83 A87 Q88 Q89 | M51-F85 HydrophobicContact CB-CD2 3.78Å; M51-F85 HydrophobicContact CB-CE2 3.91Å; M51-F85 HydrophobicContact CG-CD2 4.09Å; M51-F85 HydrophobicContact CG-CE2 4.16Å; M51-F85 HydrophobicContact SD-CE2 4.24Å; Y55-F85 HydrophobicContact CD2-CB 4.19Å; Y55-F85 AromaticContact CD2-CD1 3.6Å; Y55-F85 HydrophobicContact CD2-CD1 3.6Å; Y55-F85 HydrophobicContact CD2-CE1 4.23Å; Y55-F85 HydrophobicContact CD2-CG 4.11Å; Y55-F85 HydrophobicContact CE2-CD1 4.34Å; T81-F85 WeakPolarHBondContact O-CD2 3.47Å; T81-F85 PolarHBondContact O-N 3.44Å; A82-F85 PolarHBondContact O-N 3.29Å; L83-F85 PolarHBondContact O-N 2.94Å; F85-A87 VanDerWaalsContact C-N 3.25Å; F85-A87 PolarHBondContact O-N 3.36Å; F85-Q88 PolarHBondContact O-N 2.99Å; F85-Q89 WeakPolarHBondContact O-CG 3.47Å; F85-Q89 PolarHBondContact O-N 3.02Å; F85-Q89 VanDerWaalsContact O-N 3.13Å |
| 86 | A | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.3 | -40.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A54 A82 L83 Q89 G90 H91 V94 V95 L98 | A54-A86 HydrophobicContact CB-CB 4.25Å; A82-A86 PolarHBondContact O-N 2.93Å; L83-A86 PolarHBondContact O-N 3.28Å; A86-Q89 PolarHBondContact O-N 3.49Å; A86-G90 PolarHBondContact O-N 3.09Å; A86-H91 PolarHBondContact O-N 3.36Å; A86-V94 HydrophobicContact CB-CB 4.07Å; A86-V94 HydrophobicContact CB-CG1 3.59Å; A86-V95 HydrophobicContact CB-CG2 3.75Å; A86-L98 HydrophobicContact CB-CD1 4.47Å |
| 87 | A | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68.8 | -40 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L83 F84 F85 Q89 G90 V95 A115 A119 H124 V127 L131 | L83-A87 VanDerWaalsContact O-CB 3.22Å; L83-A87 WeakPolarHBondContact O-CB 3.29Å; L83-A87 PolarHBondContact O-N 3.2Å; F84-A87 PolarHBondContact O-N 2.97Å; F85-A87 VanDerWaalsContact C-N 3.25Å; F85-A87 PolarHBondContact O-N 3.36Å; A87-Q89 VanDerWaalsContact C-N 3.28Å; A87-Q89 PolarHBondContact O-N 3.07Å; A87-G90 PolarHBondContact O-N 3.01Å; A87-V95 HydrophobicContact CB-CG2 4.47Å; A87-A115 HydrophobicContact CB-CB 3.84Å; A87-A119 HydrophobicContact CB-CB 4.27Å; A87-H124 PolarHBondContact O-CD2 3.28Å; A87-V127 HydrophobicContact CB-CG1 3.73Å; A87-L131 HydrophobicContact CB-CD1 4.2Å |
| 88 | Q | 98.4 | Very high | 98.2 | Very high | 34 Ų | 34 | 27.4 Ų | 27.4 | 16% | 0.159 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.3 | -35 | 176.2 | -165.7 | -168.3 | -74.6 | 0 | 0 | 112.7 | F84 F85 A118 Y122 H124 | F84-Q88 WeakPolarHBondContact O-CB 3.21Å; F84-Q88 PolarHBondContact O-N 2.93Å; F85-Q88 PolarHBondContact O-N 2.99Å; Q88-A118 HydrophobicContact CB-CB 4.22Å; Q88-A118 HydrophobicContact CG-CB 4.46Å; Q88-Y122 HydrophobicContact CG-CD2 3.59Å; Q88-Y122 HydrophobicContact CG-CE2 3.32Å; Q88-H124 PolarHBondContact O-CD2 3.48Å; Q88-H124 PolarHBondContact O-NE2 2.86Å; Q88-H124 VanDerWaalsContact O-NE2 3.15Å |
| 89 | Q | 98.5 | Very high | 98.4 | Very high | 63 Ų | 63 | 27.3 Ų | 27.3 | 29% | 0.294 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -97.8 | -1.7 | -177.3 | -60.8 | -62.7 | -27 | 0 | 0 | 113.6 | Y55 F85 A86 A87 H91 | Y55-Q89 HydrophobicContact CD2-CG 3.92Å; Y55-Q89 HydrophobicContact CE2-CG 4Å; Y55-Q89 HydrophobicContact CG-CG 4.33Å; Y55-Q89 VanDerWaalsContact CZ-NE2 3.26Å; Y55-Q89 WeakPolarHBondContact O-CG 3.43Å; Y55-Q89 PolarHBondContact OH-NE2 3.47Å; F85-Q89 WeakPolarHBondContact O-CG 3.47Å; F85-Q89 PolarHBondContact O-N 3.02Å; F85-Q89 VanDerWaalsContact O-N 3.13Å; A86-Q89 PolarHBondContact O-N 3.49Å; A87-Q89 VanDerWaalsContact C-N 3.28Å; A87-Q89 PolarHBondContact O-N 3.07Å; Q89-H91 WeakPolarHBondContact CB-NE2 3.43Å |
| 90 | G | 98.3 | Very high | 98.4 | Very high | 23 Ų | 23 | 29.8 Ų | 29.8 | 24% | 0.237 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | 16.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | A86 A87 N92 H124 | A86-G90 PolarHBondContact O-N 3.09Å; A87-G90 PolarHBondContact O-N 3.01Å; G90-N92 VanDerWaalsContact C-N 3.32Å; G90-N92 PolarHBondContact O-N 3.32Å; G90-H124 WeakPolarHBondContact CA-CD2 3.21Å; G90-H124 PolarHBondContact N-CD2 2.95Å; G90-H124 PolarHBondContact N-NE2 3.27Å |
| 91 | H | 98.6 | Very high | 98.3 | Very high | 49 Ų | 49 | 34.4 Ų | 34.4 | 23% | 0.227 | 18% | 0.178 | C | C | . | . | trans | -79 | 77 | -178.3 | -60 | -45 | 0 | 0 | 0 | 111.5 | A54 Y55 G57 A86 Q89 D93 V94 V95 | A54-H91 PolarHBondContact O-CD2 3.01Å; Y55-H91 PolarHBondContact O-NE2 3.31Å; G57-H91 WeakPolarHBondContact CA-CD2 3.46Å; G57-H91 VanDerWaalsContact CA-CG 3.45Å; G57-H91 WeakPolarHBondContact CA-NE2 3.4Å; G57-H91 PolarHBondContact N-CD2 3.44Å; G57-H91 VanDerWaalsContact N-CD2 3.31Å; G57-H91 PolarHBondContact N-NE2 2.92Å; A86-H91 PolarHBondContact O-N 3.36Å; Q89-H91 WeakPolarHBondContact CB-NE2 3.43Å; H91-D93 VanDerWaalsContact C-N 3.29Å; H91-D93 PolarHBondContact O-N 2.93Å; H91-V94 HydrophobicContact CB-CB 4.01Å; H91-V94 HydrophobicContact CB-CG2 4.02Å; H91-V94 WeakPolarHBondContact O-CB 3.19Å; H91-V94 PolarHBondContact O-N 3.44Å; H91-V94 VanDerWaalsContact O-N 3.15Å; H91-V95 WeakPolarHBondContact O-CG2 3.34Å; H91-V95 PolarHBondContact O-N 2.89Å | ||
| 92 | N | 98.4 | Very high | 98.2 | Very high | 28 Ų | 28 | 36.3 Ų | 36.3 | 15% | 0.15 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.9 | -30.9 | -173 | -169 | 51.8 | 0 | 0 | 0 | 114 | G90 V95 R96 Q126 V127 T130 | G90-N92 VanDerWaalsContact C-N 3.32Å; G90-N92 PolarHBondContact O-N 3.32Å; N92-V95 PolarHBondContact O-N 3.06Å; N92-R96 WeakPolarHBondContact O-CB 3.22Å; N92-R96 WeakPolarHBondContact O-CG 3.47Å; N92-R96 PolarHBondContact O-N 3.49Å; N92-Q126 HydrophobicContact CB-CB 4.27Å; N92-Q126 PolarHBondContact OD1-O 2.8Å; N92-Q126 VanDerWaalsContact OD1-O 3.12Å; N92-V127 HydrophobicContact CB-CG2 3.9Å; N92-T130 WeakPolarHBondContact OD1-CB 3.49Å; N92-T130 PolarHBondContact OD1-OG1 2.89Å |
| 93 | D | 98.4 | Very high | 98.1 | Very high | 74 Ų | 74 | 36.8 Ų | 36.8 | 40% | 0.396 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64.3 | -43.2 | 173.2 | 61.3 | -32.2 | 0 | 0 | 0 | 112.1 | H91 F97 | H91-D93 VanDerWaalsContact C-N 3.29Å; H91-D93 PolarHBondContact O-N 2.93Å; D93-F97 WeakPolarHBondContact O-CB 3.47Å; D93-F97 PolarHBondContact O-N 2.99Å |
| 94 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.1 | -47.1 | 172.6 | 175.1 | 0 | 0 | 0 | 0 | 110.6 | A54 I59 V62 A86 H91 R96 F97 L98 | A54-V94 HydrophobicContact CB-CG1 4.04Å; I59-V94 HydrophobicContact CB-CG2 4.26Å; I59-V94 HydrophobicContact CD1-CB 4.46Å; I59-V94 HydrophobicContact CD1-CG2 3.93Å; V62-V94 HydrophobicContact CG1-CG1 4.22Å; V62-V94 HydrophobicContact CG2-CG1 4.06Å; V62-V94 HydrophobicContact CG2-CG2 4.32Å; A86-V94 HydrophobicContact CB-CB 4.07Å; A86-V94 HydrophobicContact CB-CG1 3.59Å; H91-V94 HydrophobicContact CB-CB 4.01Å; H91-V94 HydrophobicContact CB-CG2 4.02Å; H91-V94 WeakPolarHBondContact O-CB 3.19Å; H91-V94 PolarHBondContact O-N 3.44Å; H91-V94 VanDerWaalsContact O-N 3.15Å; V94-R96 PolarHBondContact O-N 3.35Å; V94-F97 PolarHBondContact O-N 3.24Å; V94-L98 HydrophobicContact CG1-CD1 3.86Å; V94-L98 HydrophobicContact CG1-CG 4.17Å; V94-L98 VanDerWaalsContact O-CG 3.29Å; V94-L98 WeakPolarHBondContact O-CG 3.42Å; V94-L98 PolarHBondContact O-N 3.02Å |
| 95 | V | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.9 | -49.7 | 178 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | L83 A86 A87 H91 N92 F97 L98 F99 V127 T130 L131 | L83-V95 HydrophobicContact CD1-CB 4.37Å; L83-V95 HydrophobicContact CD1-CG1 3.91Å; L83-V95 HydrophobicContact CD1-CG2 4.25Å; A86-V95 HydrophobicContact CB-CG2 3.75Å; A87-V95 HydrophobicContact CB-CG2 4.47Å; H91-V95 WeakPolarHBondContact O-CG2 3.34Å; H91-V95 PolarHBondContact O-N 2.89Å; N92-V95 PolarHBondContact O-N 3.06Å; V95-F97 VanDerWaalsContact C-N 3.32Å; V95-F97 PolarHBondContact O-N 2.74Å; V95-L98 PolarHBondContact O-N 2.87Å; V95-F99 HydrophobicContact CG1-CD2 3.86Å; V95-F99 HydrophobicContact CG1-CE2 3.57Å; V95-F99 VanDerWaalsContact O-CD2 3.27Å; V95-F99 WeakPolarHBondContact O-CD2 3.45Å; V95-F99 PolarHBondContact O-N 3.36Å; V95-F99 VanDerWaalsContact O-N 3.08Å; V95-V127 HydrophobicContact CG2-CG1 4.14Å; V95-V127 HydrophobicContact CG2-CG2 4.33Å; V95-T130 HydrophobicContact CG1-CG2 3.92Å; V95-L131 HydrophobicContact CG1-CD2 4.23Å |
| 96 | R | 98.5 | Very high | 97.7 | Very high | 162 Ų | 162 | 41.8 Ų | 41.8 | 61% | 0.611 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -60.1 | -41.2 | 176.8 | -78.1 | -175.6 | 59.8 | -128.7 | -6.7 | 112.6 | N92 V94 G100 T130 | N92-R96 WeakPolarHBondContact O-CB 3.22Å; N92-R96 WeakPolarHBondContact O-CG 3.47Å; N92-R96 PolarHBondContact O-N 3.49Å; V94-R96 PolarHBondContact O-N 3.35Å; R96-G100 PolarHBondContact O-N 3.31Å; R96-T130 HydrophobicContact CG-CG2 3.66Å |
| 97 | F | 98.4 | Very high | 97.6 | Very high | 35 Ų | 35 | 44.8 Ų | 44.8 | 15% | 0.154 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.5 | -48.1 | 178.2 | -179.9 | -96.2 | 0 | 0 | 0 | 111.4 | I59 V62 R63 V66 D93 V94 V95 F99 G100 F101 | I59-F97 HydrophobicContact CD1-CB 3.84Å; I59-F97 HydrophobicContact CD1-CG 4.14Å; V62-F97 HydrophobicContact CG1-CD1 3.74Å; V62-F97 HydrophobicContact CG1-CE1 4.05Å; R63-F97 HydrophobicContact CB-CE1 4.45Å; R63-F97 HydrophobicContact CB-CE2 4.44Å; R63-F97 HydrophobicContact CB-CZ 4.06Å; R63-F97 HydrophobicContact CG-CD1 4.4Å; R63-F97 HydrophobicContact CG-CD2 3.98Å; R63-F97 HydrophobicContact CG-CE1 4.03Å; R63-F97 HydrophobicContact CG-CE2 3.58Å; R63-F97 HydrophobicContact CG-CG 4.37Å; R63-F97 HydrophobicContact CG-CZ 3.62Å; V66-F97 HydrophobicContact CB-CE1 3.9Å; V66-F97 HydrophobicContact CB-CZ 4.31Å; V66-F97 HydrophobicContact CG1-CE1 4.16Å; V66-F97 HydrophobicContact CG1-CZ 4.36Å; V66-F97 HydrophobicContact CG2-CE1 3.91Å; D93-F97 WeakPolarHBondContact O-CB 3.47Å; D93-F97 PolarHBondContact O-N 2.99Å; V94-F97 PolarHBondContact O-N 3.24Å; V95-F97 VanDerWaalsContact C-N 3.32Å; V95-F97 PolarHBondContact O-N 2.74Å; F97-F99 VanDerWaalsContact C-N 3.28Å; F97-F99 PolarHBondContact O-N 2.96Å; F97-G100 WeakPolarHBondContact O-CA 3.31Å; F97-G100 PolarHBondContact O-N 3.4Å; F97-F101 HydrophobicContact CD2-CD2 4.45Å; F97-F101 HydrophobicContact CD2-CE2 4.03Å; F97-F101 HydrophobicContact CE1-CD2 4.06Å; F97-F101 HydrophobicContact CE1-CE2 4.04Å; F97-F101 AromaticContact CE2-CD2 4Å; F97-F101 HydrophobicContact CE2-CD2 4Å; F97-F101 AromaticContact CE2-CE2 3.28Å; F97-F101 HydrophobicContact CE2-CE2 3.28Å; F97-F101 HydrophobicContact CE2-CZ 4.04Å; F97-F101 AromaticContact CZ-CD2 3.77Å; F97-F101 HydrophobicContact CZ-CD2 3.77Å; F97-F101 AromaticContact CZ-CE2 3.28Å; F97-F101 HydrophobicContact CZ-CE2 3.28Å; F97-F101 AromaticContact CZ-CZ 3.86Å; F97-F101 HydrophobicContact CZ-CZ 3.86Å; F97-F101 WeakPolarHBondContact O-CD2 3.37Å |
| 98 | L | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.8 | -38.9 | 178.7 | -69.3 | 175.9 | 0 | 0 | 0 | 112 | L50 V62 V66 I72 A82 L83 A86 V94 V95 G100 F101 G102 A103 | L50-L98 HydrophobicContact CD1-CD2 4.34Å; L50-L98 HydrophobicContact CD2-CD2 4.39Å; V62-L98 HydrophobicContact CG1-CD2 4.03Å; V66-L98 HydrophobicContact CG2-CD2 4.45Å; I72-L98 HydrophobicContact CG2-CD2 4.21Å; A82-L98 HydrophobicContact CB-CD1 4.23Å; L83-L98 HydrophobicContact CB-CD1 4.36Å; A86-L98 HydrophobicContact CB-CD1 4.47Å; V94-L98 HydrophobicContact CG1-CD1 3.86Å; V94-L98 HydrophobicContact CG1-CG 4.17Å; V94-L98 VanDerWaalsContact O-CG 3.29Å; V94-L98 WeakPolarHBondContact O-CG 3.42Å; V94-L98 PolarHBondContact O-N 3.02Å; V95-L98 PolarHBondContact O-N 2.87Å; L98-G100 VanDerWaalsContact C-N 3.34Å; L98-G100 PolarHBondContact O-N 3.4Å; L98-F101 CarbonylContact O-C 3.5Å; L98-F101 PolarHBondContact O-N 2.93Å; L98-F101 VanDerWaalsContact O-N 3.16Å; L98-G102 PolarHBondContact O-N 3.45Å; L98-A103 HydrophobicContact CB-CB 3.87Å; L98-A103 VanDerWaalsContact O-CB 3.3Å; L98-A103 WeakPolarHBondContact O-CB 3.45Å; L98-A103 PolarHBondContact O-N 2.89Å; L98-A103 VanDerWaalsContact O-N 3.09Å |
| 99 | F | 98.3 | Very high | 97.5 | Very high | 23 Ų | 23 | 47.9 Ų | 47.9 | 10% | 0.101 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.2 | -37.3 | 173.3 | -79.2 | -50.6 | 0 | 0 | 0 | 113.7 | L83 V95 F97 F101 G102 A103 T105 T130 L131 H134 | L83-F99 HydrophobicContact CD1-CE2 4.24Å; L83-F99 HydrophobicContact CD1-CZ 4.14Å; L83-F99 HydrophobicContact CD2-CE1 3.98Å; L83-F99 HydrophobicContact CD2-CZ 3.99Å; V95-F99 HydrophobicContact CG1-CD2 3.86Å; V95-F99 HydrophobicContact CG1-CE2 3.57Å; V95-F99 VanDerWaalsContact O-CD2 3.27Å; V95-F99 WeakPolarHBondContact O-CD2 3.45Å; V95-F99 PolarHBondContact O-N 3.36Å; V95-F99 VanDerWaalsContact O-N 3.08Å; F97-F99 VanDerWaalsContact C-N 3.28Å; F97-F99 PolarHBondContact O-N 2.96Å; F99-F101 PolarHBondContact O-N 3.31Å; F99-G102 PolarHBondContact O-N 3.46Å; F99-G102 VanDerWaalsContact O-N 3.09Å; F99-A103 HydrophobicContact CD1-CB 4.22Å; F99-A103 WeakPolarHBondContact CD1-O 3.42Å; F99-T105 HydrophobicContact CE1-CG2 3.69Å; F99-T105 HydrophobicContact CZ-CG2 3.75Å; F99-T130 HydrophobicContact CD2-CG2 4.03Å; F99-T130 HydrophobicContact CE2-CG2 4.11Å; F99-L131 HydrophobicContact CE2-CD2 3.8Å; F99-L131 HydrophobicContact CZ-CD2 3.58Å; F99-H134 HydrophobicContact CD1-CB 3.83Å; F99-H134 AromaticContact CD1-CG 3.99Å; F99-H134 HydrophobicContact CD2-CB 4Å; F99-H134 AromaticContact CD2-CD2 3.93Å; F99-H134 AromaticContact CD2-CG 3.61Å; F99-H134 AromaticContact CD2-ND1 3.68Å; F99-H134 HydrophobicContact CE1-CB 3.68Å; F99-H134 HydrophobicContact CE2-CB 3.81Å; F99-H134 AromaticContact CE2-CG 3.87Å; F99-H134 AromaticContact CE2-ND1 3.95Å; F99-H134 HydrophobicContact CG-CB 4Å; F99-H134 AromaticContact CG-CD2 3.61Å; F99-H134 AromaticContact CG-CG 3.66Å; F99-H134 HydrophobicContact CZ-CB 3.64Å |
| 100 | G | 97.1 | Very high | 97.4 | Very high | 65 Ų | 65 | 52.1 Ų | 52.1 | 67% | 0.67 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -59.1 | -16.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | R96 F97 L98 | R96-G100 PolarHBondContact O-N 3.31Å; F97-G100 WeakPolarHBondContact O-CA 3.31Å; F97-G100 PolarHBondContact O-N 3.4Å; L98-G100 VanDerWaalsContact C-N 3.34Å; L98-G100 PolarHBondContact O-N 3.4Å |
| 101 | F | 96.5 | Very high | 97.2 | Very high | 105 Ų | 105 | 55 Ų | 55 | 46% | 0.461 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | 17 | 179.3 | -71 | -99.8 | 0 | 0 | 0 | 113.3 | V66 I72 F97 L98 F99 | V66-F101 HydrophobicContact CG1-CB 4.03Å; V66-F101 HydrophobicContact CG1-CD1 3.4Å; V66-F101 VanDerWaalsContact CG1-CD1 3.4Å; V66-F101 HydrophobicContact CG1-CD2 4.12Å; V66-F101 HydrophobicContact CG1-CE1 3.79Å; V66-F101 HydrophobicContact CG1-CE2 4.49Å; V66-F101 HydrophobicContact CG1-CG 3.59Å; V66-F101 HydrophobicContact CG1-CZ 4.32Å; I72-F101 HydrophobicContact CD1-CB 3.21Å; I72-F101 HydrophobicContact CD1-CG 4.32Å; I72-F101 VanDerWaalsContact CD1-O 3.31Å; I72-F101 WeakPolarHBondContact CD1-O 3.38Å; F97-F101 HydrophobicContact CD2-CD2 4.45Å; F97-F101 HydrophobicContact CD2-CE2 4.03Å; F97-F101 HydrophobicContact CE1-CD2 4.06Å; F97-F101 HydrophobicContact CE1-CE2 4.04Å; F97-F101 AromaticContact CE2-CD2 4Å; F97-F101 HydrophobicContact CE2-CD2 4Å; F97-F101 AromaticContact CE2-CE2 3.28Å; F97-F101 HydrophobicContact CE2-CE2 3.28Å; F97-F101 HydrophobicContact CE2-CZ 4.04Å; F97-F101 AromaticContact CZ-CD2 3.77Å; F97-F101 HydrophobicContact CZ-CD2 3.77Å; F97-F101 AromaticContact CZ-CE2 3.28Å; F97-F101 HydrophobicContact CZ-CE2 3.28Å; F97-F101 AromaticContact CZ-CZ 3.86Å; F97-F101 HydrophobicContact CZ-CZ 3.86Å; F97-F101 WeakPolarHBondContact O-CD2 3.37Å; L98-F101 CarbonylContact O-C 3.5Å; L98-F101 PolarHBondContact O-N 2.93Å; L98-F101 VanDerWaalsContact O-N 3.16Å; F99-F101 PolarHBondContact O-N 3.31Å |
| 102 | G | 94.9 | Very high | 97.1 | Very high | 47 Ų | 47 | 52.7 Ų | 52.7 | 49% | 0.485 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | 29.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | N73 L98 F99 S104 | N73-G102 PolarHBondContact ND2-O 3.13Å; L98-G102 PolarHBondContact O-N 3.45Å; F99-G102 PolarHBondContact O-N 3.46Å; F99-G102 VanDerWaalsContact O-N 3.09Å; G102-S104 PolarHBondContact O-N 3.48Å |
| 103 | A | 97.3 | Very high | 97.1 | Very high | 10 Ų | 10 | 51.5 Ų | 51.5 | 8% | 0.083 | 27% | 0.268 | C | S | . | . | trans | -59.4 | 130.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I72 L83 L98 F99 | I72-A103 HydrophobicContact CG2-CB 3.61Å; L83-A103 HydrophobicContact CB-CB 4.46Å; L83-A103 HydrophobicContact CD2-CB 4.21Å; L98-A103 HydrophobicContact CB-CB 3.87Å; L98-A103 VanDerWaalsContact O-CB 3.3Å; L98-A103 WeakPolarHBondContact O-CB 3.45Å; L98-A103 PolarHBondContact O-N 2.89Å; L98-A103 VanDerWaalsContact O-N 3.09Å; F99-A103 HydrophobicContact CD1-CB 4.22Å; F99-A103 WeakPolarHBondContact CD1-O 3.42Å | ||
| 104 | S | 97 | Very high | 97.1 | Very high | 39 Ų | 39 | 48 Ų | 48 | 27% | 0.273 | 25% | 0.249 | S | C | . | . | trans | -91 | 140.8 | 178.2 | 178.7 | 0 | 0 | 0 | 0 | 112.2 | N73 L83 G102 E106 | N73-S104 PolarHBondContact OD1-N 3.43Å; L83-S104 WeakPolarHBondContact CD2-O 3.49Å; G102-S104 PolarHBondContact O-N 3.48Å; S104-E106 VanDerWaalsContact C-N 3.34Å; S104-E106 PolarHBondContact OG-N 3.34Å; S104-E106 VanDerWaalsContact OG-N 3.17Å | ||
| 105 | T | 95.8 | Very high | 97 | Very high | 16 Ų | 16 | 48.3 Ų | 48.3 | 10% | 0.098 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -81.3 | -12.7 | 172.7 | 50.4 | 0 | 0 | 0 | 0 | 113.7 | F99 F107 A136 | F99-T105 HydrophobicContact CE1-CG2 3.69Å; F99-T105 HydrophobicContact CZ-CG2 3.75Å; T105-F107 PolarHBondContact O-N 3.46Å; T105-A136 HydrophobicContact CG2-CB 3.87Å |
| 106 | E | 94.4 | Very high | 97 | Very high | 104 Ų | 104 | 48.4 Ų | 48.4 | 49% | 0.486 | 25% | 0.252 | S | S | . | . | trans | -82.8 | -11.6 | -168 | -59.1 | -52.7 | 113.1 | 0 | 0 | 114.2 | S104 R108 | S104-E106 VanDerWaalsContact C-N 3.34Å; S104-E106 PolarHBondContact OG-N 3.34Å; S104-E106 VanDerWaalsContact OG-N 3.17Å; E106-R108 PolarHBondContact O-N 2.93Å | ||
| 107 | F | 96.6 | Very high | 97 | Very high | 64 Ų | 64 | 40.8 Ų | 40.8 | 28% | 0.281 | 22% | 0.223 | S | C | . | . | trans | -70.7 | 133 | -178.6 | -70.1 | -67.7 | 0 | 0 | 0 | 112 | N73 Q75 T81 T105 | N73-F107 HydrophobicContact CB-CE2 3.49Å; N73-F107 VanDerWaalsContact CB-CE2 3.49Å; N73-F107 HydrophobicContact CB-CZ 3.82Å; N73-F107 WeakPolarHBondContact OD1-CE2 2.92Å; Q75-F107 VanDerWaalsContact CD-CD1 3.45Å; Q75-F107 HydrophobicContact CG-CD1 3.96Å; Q75-F107 HydrophobicContact CG-CE1 4.49Å; Q75-F107 HydrophobicContact CG-CG 4.34Å; T81-F107 HydrophobicContact CG2-CB 3.71Å; T81-F107 HydrophobicContact CG2-CD2 3.93Å; T81-F107 HydrophobicContact CG2-CG 3.86Å; T105-F107 PolarHBondContact O-N 3.46Å | ||
| 108 | R | 96.8 | Very high | 97 | Very high | 92 Ų | 92 | 39.2 Ų | 39.2 | 35% | 0.347 | 22% | 0.217 | S | C | . | . | trans | -117.1 | 143.6 | -178.4 | -64.4 | 178.1 | -170.3 | -93 | -4.7 | 111.7 | Q75 E106 G113 T114 D140 | Q75-R108 PolarHBondContact NE2-O 3.05Å; Q75-R108 VanDerWaalsContact NE2-O 3.13Å; E106-R108 PolarHBondContact O-N 2.93Å; R108-G113 CarbonylContact C-O 3.5Å; R108-G113 VanDerWaalsContact CA-O 3.31Å; R108-G113 WeakPolarHBondContact CA-O 3.41Å; R108-T114 HydrophobicContact CG-CG2 3.89Å; R108-D140 IonicContact CZ-OD1 3.77Å; R108-D140 IonicContact NH1-OD1 3.92Å; R108-D140 PolarHBondContact NH1-OD1 3.49Å; R108-D140 IonicContact NH2-OD1 3.98Å; R108-D140 PolarHBondContact NH2-OD1 3.38Å; R108-D140 IonicContact NH2-OD2 2.68Å | ||
| 109 | T | 97.5 | Very high | 97.1 | Very high | 7 Ų | 7 | 39.2 Ų | 39.2 | 4% | 0.043 | 22% | 0.217 | C | C | . | . | trans | -74.4 | 169.3 | 167 | 59.8 | 0 | 0 | 0 | 0 | 111.2 | S78 T80 F84 D111 G112 G113 | S78-T109 CarbonylContact O-C 3.38Å; S78-T109 VanDerWaalsContact O-CA 3.24Å; S78-T109 WeakPolarHBondContact O-CA 3.5Å; S78-T109 WeakPolarHBondContact O-CB 3.19Å; T80-T109 HydrophobicContact CG2-CG2 3.34Å; F84-T109 HydrophobicContact CD2-CG2 3.9Å; F84-T109 HydrophobicContact CE2-CG2 3.54Å; F84-T109 HydrophobicContact CZ-CG2 3.88Å; T109-D111 WeakPolarHBondContact CB-OD1 3.29Å; T109-D111 PolarHBondContact O-N 2.87Å; T109-D111 VanDerWaalsContact O-N 3.09Å; T109-D111 PolarHBondContact OG1-OD1 3.49Å; T109-G112 PolarHBondContact O-N 3.35Å; T109-G113 PolarHBondContact N-O 3.45Å; T109-G113 WeakPolarHBondContact OG1-CA 3.44Å; T109-G113 PolarHBondContact OG1-N 3.47Å; T109-G113 PolarHBondContact OG1-O 3.31Å | ||
| 110 | K | 96.6 | Very high | 97.1 | Very high | 151 Ų | 151 | 38.1 Ų | 38.1 | 66% | 0.657 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -16.4 | 178.6 | -79.7 | -179.2 | 168.4 | 162.1 | 0 | 114.8 | E77 S78 Y143 | E77-K110 WeakPolarHBondContact O-CE 3.24Å; E77-K110 PolarHBondContact O-NZ 3Å; S78-K110 PolarHBondContact O-N 3.48Å; K110-Y143 WeakPolarHBondContact O-CE2 3.47Å |
| 111 | D | 95.2 | Very high | 97.2 | Very high | 85 Ų | 85 | 38.8 Ų | 38.8 | 46% | 0.455 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 8.3 | 175.3 | 59.6 | -41.8 | 0 | 0 | 0 | 113 | T109 L142 Y143 | T109-D111 WeakPolarHBondContact CB-OD1 3.29Å; T109-D111 PolarHBondContact O-N 2.87Å; T109-D111 VanDerWaalsContact O-N 3.09Å; T109-D111 PolarHBondContact OG1-OD1 3.49Å; D111-L142 WeakPolarHBondContact O-CA 3.43Å; D111-Y143 PolarHBondContact O-N 3.29Å |
| 112 | G | 96.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | S | Bend | trans | 86.8 | 3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | T109 | T109-G112 PolarHBondContact O-N 3.35Š|
| 113 | G | 97.1 | Very high | 97.4 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | trans | -65.5 | 135 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | R108 T109 L142 | R108-G113 CarbonylContact C-O 3.5Å; R108-G113 VanDerWaalsContact CA-O 3.31Å; R108-G113 WeakPolarHBondContact CA-O 3.41Å; T109-G113 PolarHBondContact N-O 3.45Å; T109-G113 WeakPolarHBondContact OG1-CA 3.44Å; T109-G113 PolarHBondContact OG1-N 3.47Å; T109-G113 PolarHBondContact OG1-O 3.31Å; G113-L142 VanDerWaalsContact CA-CD2 3.43Å | ||
| 114 | T | 98.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | trans | -114.5 | 167.9 | 172.2 | 64.9 | 0 | 0 | 0 | 0 | 110.4 | R108 L116 L117 A118 D140 | R108-T114 HydrophobicContact CG-CG2 3.89Å; T114-L116 PolarHBondContact O-N 3.29Å; T114-L117 PolarHBondContact O-N 3.03Å; T114-L117 VanDerWaalsContact O-N 3.13Å; T114-A118 PolarHBondContact O-N 3.13Å; T114-D140 HydrophobicContact CG2-CB 4.23Å; T114-D140 WeakPolarHBondContact CG2-OD2 3.38Å | ||
| 115 | A | 98.3 | Very high | 97.5 | Very high | 6 Ų | 6 | 41.4 Ų | 41.4 | 5% | 0.05 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.6 | -34.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L83 A87 A119 L131 | L83-A115 HydrophobicContact CD2-CB 4.28Å; L83-A115 HydrophobicContact CG-CB 4.04Å; A87-A115 HydrophobicContact CB-CB 3.84Å; A115-A119 WeakPolarHBondContact O-CB 3.15Å; A115-A119 PolarHBondContact O-N 3.22Å; A115-L131 HydrophobicContact CB-CD1 4.11Å; A115-L131 HydrophobicContact CB-CD2 3.91Å; A115-L131 WeakPolarHBondContact O-CD1 3.24Å |
| 116 | L | 98.7 | Very high | 97.7 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.2 | -42.8 | 177.4 | -178.7 | 67.1 | 0 | 0 | 0 | 111.9 | T114 S120 V128 L131 L132 A136 N137 A148 | T114-L116 PolarHBondContact O-N 3.29Å; L116-S120 WeakPolarHBondContact O-CB 3.14Å; L116-S120 PolarHBondContact O-N 3.15Å; L116-S120 PolarHBondContact O-OG 3.17Å; L116-V128 HydrophobicContact CD1-CB 4.44Å; L116-V128 HydrophobicContact CD1-CG1 3.87Å; L116-L131 HydrophobicContact CB-CD1 4.25Å; L116-L131 HydrophobicContact CD1-CB 4.24Å; L116-L131 HydrophobicContact CD1-CD1 4.36Å; L116-L132 HydrophobicContact CD1-CD2 4.1Å; L116-L132 HydrophobicContact CD1-CG 4.07Å; L116-L132 HydrophobicContact CD2-CD2 3.91Å; L116-A136 HydrophobicContact CB-CB 4.23Å; L116-A136 HydrophobicContact CD2-CB 4.29Å; L116-N137 WeakPolarHBondContact CD2-O 3.21Å; L116-A148 HydrophobicContact CG-CB 4.37Å |
| 117 | L | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63 | -45.7 | 176.6 | -65.9 | 176.4 | 0 | 0 | 0 | 110.8 | T114 S120 Q121 D140 L142 A148 L151 | T114-L117 PolarHBondContact O-N 3.03Å; T114-L117 VanDerWaalsContact O-N 3.13Å; L117-S120 PolarHBondContact O-N 3.2Å; L117-Q121 WeakPolarHBondContact O-CB 3.32Å; L117-Q121 PolarHBondContact O-N 3.42Å; L117-D140 HydrophobicContact CD1-CB 4.41Å; L117-L142 HydrophobicContact CD1-CD2 3.85Å; L117-L142 HydrophobicContact CD1-CG 4.18Å; L117-A148 HydrophobicContact CD2-CB 3.99Å; L117-L151 HydrophobicContact CB-CD1 3.92Å; L117-L151 HydrophobicContact CD2-CD1 4.02Å |
| 118 | A | 98.4 | Very high | 98 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 3% | 0.025 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.1 | -52.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F84 Q88 T114 S120 Q121 Y122 | F84-A118 HydrophobicContact CD2-CB 4.4Å; F84-A118 HydrophobicContact CE1-CB 4.13Å; F84-A118 HydrophobicContact CE2-CB 3.9Å; F84-A118 HydrophobicContact CZ-CB 3.75Å; Q88-A118 HydrophobicContact CB-CB 4.22Å; Q88-A118 HydrophobicContact CG-CB 4.46Å; T114-A118 PolarHBondContact O-N 3.13Å; A118-S120 PolarHBondContact O-N 3.25Å; A118-Q121 WeakPolarHBondContact O-CB 3.45Å; A118-Q121 PolarHBondContact O-N 2.89Å; A118-Q121 VanDerWaalsContact O-N 3.11Å; A118-Y122 VanDerWaalsContact O-CD2 3.25Å; A118-Y122 WeakPolarHBondContact O-CD2 3.1Å; A118-Y122 PolarHBondContact O-N 3.45Å; A118-Y122 VanDerWaalsContact O-N 3.16Å |
| 119 | A | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.4 | -36.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A87 A115 G123 H124 V127 V128 L131 | A87-A119 HydrophobicContact CB-CB 4.27Å; A115-A119 WeakPolarHBondContact O-CB 3.15Å; A115-A119 PolarHBondContact O-N 3.22Å; A119-G123 PolarHBondContact O-N 2.96Å; A119-H124 PolarHBondContact O-N 3.4Å; A119-V127 HydrophobicContact CB-CB 4.13Å; A119-V127 HydrophobicContact CB-CG1 3.52Å; A119-V128 HydrophobicContact CB-CG2 3.72Å; A119-L131 HydrophobicContact CB-CD1 3.99Å |
| 120 | S | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -71.8 | -37.3 | 177.9 | -56.4 | 0 | 0 | 0 | 0 | 112.5 | L116 L117 A118 Y122 G123 A148 Y157 | L116-S120 WeakPolarHBondContact O-CB 3.14Å; L116-S120 PolarHBondContact O-N 3.15Å; L116-S120 PolarHBondContact O-OG 3.17Å; L117-S120 PolarHBondContact O-N 3.2Å; A118-S120 PolarHBondContact O-N 3.25Å; S120-Y122 VanDerWaalsContact C-N 3.28Å; S120-Y122 PolarHBondContact O-N 3.07Å; S120-G123 PolarHBondContact O-N 3.4Å; S120-A148 WeakPolarHBondContact CB-O 3.36Å; S120-Y157 WeakPolarHBondContact O-CD2 3.33Å |
| 121 | Q | 98.4 | Very high | 98.2 | Very high | 79 Ų | 79 | 30.8 Ų | 30.8 | 37% | 0.369 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -65.8 | -27.8 | 176.2 | -176.7 | 177.4 | -4.3 | 0 | 0 | 113.4 | L117 A118 L151 Y157 | L117-Q121 WeakPolarHBondContact O-CB 3.32Å; L117-Q121 PolarHBondContact O-N 3.42Å; A118-Q121 WeakPolarHBondContact O-CB 3.45Å; A118-Q121 PolarHBondContact O-N 2.89Å; A118-Q121 VanDerWaalsContact O-N 3.11Å; Q121-L151 HydrophobicContact CB-CB 4.02Å; Q121-L151 HydrophobicContact CB-CD1 4.26Å; Q121-L151 HydrophobicContact CG-CD2 4.49Å; Q121-Y157 VanDerWaalsContact O-CE2 3.23Å; Q121-Y157 WeakPolarHBondContact O-CE2 3.25Å |
| 122 | Y | 98.3 | Very high | 98.4 | Very high | 101 Ų | 101 | 28.4 Ų | 28.4 | 40% | 0.396 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | 3.7 | 178.7 | -65.7 | -78.7 | 0 | 0 | 0 | 113.7 | Q88 A118 S120 H124 | Q88-Y122 HydrophobicContact CG-CD2 3.59Å; Q88-Y122 HydrophobicContact CG-CE2 3.32Å; A118-Y122 VanDerWaalsContact O-CD2 3.25Å; A118-Y122 WeakPolarHBondContact O-CD2 3.1Å; A118-Y122 PolarHBondContact O-N 3.45Å; A118-Y122 VanDerWaalsContact O-N 3.16Å; S120-Y122 VanDerWaalsContact C-N 3.28Å; S120-Y122 PolarHBondContact O-N 3.07Å; Y122-H124 WeakPolarHBondContact CB-NE2 3.38Å |
| 123 | G | 98.2 | Very high | 98.4 | Very high | 20 Ų | 20 | 35.1 Ų | 35.1 | 21% | 0.206 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80 | 18.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | A119 S120 M125 Y157 | A119-G123 PolarHBondContact O-N 2.96Å; S120-G123 PolarHBondContact O-N 3.4Å; G123-M125 PolarHBondContact O-N 2.87Å; G123-Y157 VanDerWaalsContact N-CE2 3.29Å |
| 124 | H | 98.7 | Very high | 98.5 | Very high | 56 Ų | 56 | 39.4 Ų | 39.4 | 26% | 0.259 | 19% | 0.188 | S | C | . | . | trans | -83.6 | 77 | -174.1 | -60 | -48 | 0 | 0 | 0 | 112.2 | A87 Q88 G90 A119 Y122 Q126 V127 V128 | A87-H124 PolarHBondContact O-CD2 3.28Å; Q88-H124 PolarHBondContact O-CD2 3.48Å; Q88-H124 PolarHBondContact O-NE2 2.86Å; Q88-H124 VanDerWaalsContact O-NE2 3.15Å; G90-H124 WeakPolarHBondContact CA-CD2 3.21Å; G90-H124 PolarHBondContact N-CD2 2.95Å; G90-H124 PolarHBondContact N-NE2 3.27Å; A119-H124 PolarHBondContact O-N 3.4Å; Y122-H124 WeakPolarHBondContact CB-NE2 3.38Å; H124-Q126 PolarHBondContact O-N 2.49Å; H124-V127 HydrophobicContact CB-CB 4.02Å; H124-V127 HydrophobicContact CB-CG2 4.16Å; H124-V127 WeakPolarHBondContact O-CB 3.41Å; H124-V127 PolarHBondContact O-N 2.9Å; H124-V128 WeakPolarHBondContact O-CG2 3.45Å; H124-V128 PolarHBondContact O-N 3.04Å | ||
| 125 | M | 98.4 | Very high | 98.4 | Very high | 78 Ų | 78 | 41.8 Ų | 41.8 | 38% | 0.384 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -50.9 | -46.6 | -176.1 | -179 | -168.4 | 66.5 | 0 | 0 | 114.1 | G123 V127 V128 E129 D159 V160 L163 | G123-M125 PolarHBondContact O-N 2.87Å; M125-V127 VanDerWaalsContact C-N 3.28Å; M125-V127 PolarHBondContact O-N 3.48Å; M125-V128 PolarHBondContact O-N 3.08Å; M125-E129 PolarHBondContact O-N 2.78Å; M125-D159 HydrophobicContact CG-CB 4.34Å; M125-D159 HydrophobicContact SD-CB 3.56Å; M125-D159 VanDerWaalsContact SD-CB 3.56Å; M125-V160 HydrophobicContact CB-CG2 4.01Å; M125-L163 HydrophobicContact CG-CD2 4.04Å |
| 126 | Q | 98.6 | Very high | 98.4 | Very high | 122 Ų | 122 | 42 Ų | 42 | 57% | 0.57 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -63.1 | -36.2 | -178.4 | -66.5 | 180 | -1.6 | 0 | 0 | 112.3 | N92 H124 T130 | N92-Q126 HydrophobicContact CB-CB 4.27Å; N92-Q126 PolarHBondContact OD1-O 2.8Å; N92-Q126 VanDerWaalsContact OD1-O 3.12Å; H124-Q126 PolarHBondContact O-N 2.49Å; Q126-T130 WeakPolarHBondContact O-CB 3.24Å; Q126-T130 PolarHBondContact O-N 3.06Å; Q126-T130 PolarHBondContact O-OG1 2.94Å |
| 127 | V | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.9 | -47 | 174.5 | 170.5 | 0 | 0 | 0 | 0 | 110.2 | A87 N92 V95 A119 H124 M125 E129 T130 L131 | A87-V127 HydrophobicContact CB-CG1 3.73Å; N92-V127 HydrophobicContact CB-CG2 3.9Å; V95-V127 HydrophobicContact CG2-CG1 4.14Å; V95-V127 HydrophobicContact CG2-CG2 4.33Å; A119-V127 HydrophobicContact CB-CB 4.13Å; A119-V127 HydrophobicContact CB-CG1 3.52Å; H124-V127 HydrophobicContact CB-CB 4.02Å; H124-V127 HydrophobicContact CB-CG2 4.16Å; H124-V127 WeakPolarHBondContact O-CB 3.41Å; H124-V127 PolarHBondContact O-N 2.9Å; M125-V127 VanDerWaalsContact C-N 3.28Å; M125-V127 PolarHBondContact O-N 3.48Å; V127-E129 VanDerWaalsContact C-N 3.27Å; V127-E129 PolarHBondContact O-N 2.84Å; V127-T130 PolarHBondContact O-N 3.17Å; V127-T130 VanDerWaalsContact O-N 3.13Å; V127-L131 HydrophobicContact CG1-CD1 3.68Å; V127-L131 HydrophobicContact CG1-CG 4.04Å; V127-L131 WeakPolarHBondContact O-CB 3.29Å; V127-L131 VanDerWaalsContact O-CG 3.26Å; V127-L131 WeakPolarHBondContact O-CG 3.5Å; V127-L131 PolarHBondContact O-N 2.87Å |
| 128 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -54.7 | -46.4 | 176.7 | 172 | 0 | 0 | 0 | 0 | 110.5 | L116 A119 H124 M125 T130 L131 L132 V160 L163 L164 | L116-V128 HydrophobicContact CD1-CB 4.44Å; L116-V128 HydrophobicContact CD1-CG1 3.87Å; A119-V128 HydrophobicContact CB-CG2 3.72Å; H124-V128 WeakPolarHBondContact O-CG2 3.45Å; H124-V128 PolarHBondContact O-N 3.04Å; M125-V128 PolarHBondContact O-N 3.08Å; V128-T130 PolarHBondContact O-N 2.96Å; V128-L131 PolarHBondContact O-N 3.09Å; V128-L132 HydrophobicContact CG1-CD1 3.99Å; V128-L132 VanDerWaalsContact O-CG 3.3Å; V128-L132 WeakPolarHBondContact O-CG 3.38Å; V128-L132 PolarHBondContact O-N 3.05Å; V128-V160 HydrophobicContact CG1-CG1 4.46Å; V128-V160 HydrophobicContact CG2-CG1 4.13Å; V128-L163 HydrophobicContact CB-CD2 4.1Å; V128-L163 HydrophobicContact CG1-CD2 3.72Å; V128-L163 HydrophobicContact CG1-CG 4.42Å; V128-L164 HydrophobicContact CG1-CD2 3.96Å; V128-L164 HydrophobicContact CG1-CG 4.38Å |
| 129 | E | 98.7 | Very high | 98.2 | Very high | 77 Ų | 77 | 49.9 Ų | 49.9 | 36% | 0.36 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.3 | -46.4 | 177.2 | -168 | -168.9 | -170.5 | 0 | 0 | 111.7 | M125 V127 L132 K133 L163 | M125-E129 PolarHBondContact O-N 2.78Å; V127-E129 VanDerWaalsContact C-N 3.27Å; V127-E129 PolarHBondContact O-N 2.84Å; E129-L132 PolarHBondContact O-N 3.12Å; E129-K133 HydrophobicContact CG-CD 4.35Å; E129-K133 WeakPolarHBondContact O-CG 2.94Å; E129-K133 PolarHBondContact O-N 3.09Å; E129-K133 VanDerWaalsContact OE1-CE 3.32Å; E129-K133 WeakPolarHBondContact OE1-CE 3.37Å; E129-K133 IonicContact OE1-NZ 2.69Å; E129-K133 PolarHBondContact OE1-NZ 2.94Å; E129-K133 IonicContact OE2-NZ 3.63Å; E129-L163 HydrophobicContact CB-CD2 3.75Å; E129-L163 HydrophobicContact CG-CD1 4.43Å; E129-L163 HydrophobicContact CG-CD2 4.41Å |
| 130 | T | 98.6 | Very high | 98.1 | Very high | 11 Ų | 11 | 50.1 Ų | 50.1 | 7% | 0.067 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.9 | -43.7 | 179.2 | -60.2 | 0 | 0 | 0 | 0 | 111.6 | N92 V95 R96 F99 Q126 V127 V128 K133 H134 | N92-T130 WeakPolarHBondContact OD1-CB 3.49Å; N92-T130 PolarHBondContact OD1-OG1 2.89Å; V95-T130 HydrophobicContact CG1-CG2 3.92Å; R96-T130 HydrophobicContact CG-CG2 3.66Å; F99-T130 HydrophobicContact CD2-CG2 4.03Å; F99-T130 HydrophobicContact CE2-CG2 4.11Å; Q126-T130 WeakPolarHBondContact O-CB 3.24Å; Q126-T130 PolarHBondContact O-N 3.06Å; Q126-T130 PolarHBondContact O-OG1 2.94Å; V127-T130 PolarHBondContact O-N 3.17Å; V127-T130 VanDerWaalsContact O-N 3.13Å; V128-T130 PolarHBondContact O-N 2.96Å; T130-K133 PolarHBondContact O-N 2.86Å; T130-H134 PolarHBondContact O-N 2.77Å; T130-H134 VanDerWaalsContact O-N 3.17Å; T130-H134 PolarHBondContact O-ND1 3.02Å |
| 131 | L | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61 | -45.6 | 178 | -70.1 | 171.1 | 0 | 0 | 0 | 111.3 | L83 A87 V95 F99 A115 L116 A119 V127 V128 K133 H134 G135 A136 | L83-L131 HydrophobicContact CD1-CD2 4.17Å; L83-L131 HydrophobicContact CD2-CD2 4.32Å; L83-L131 HydrophobicContact CG-CD2 4.4Å; A87-L131 HydrophobicContact CB-CD1 4.2Å; V95-L131 HydrophobicContact CG1-CD2 4.23Å; F99-L131 HydrophobicContact CE2-CD2 3.8Å; F99-L131 HydrophobicContact CZ-CD2 3.58Å; A115-L131 HydrophobicContact CB-CD1 4.11Å; A115-L131 HydrophobicContact CB-CD2 3.91Å; A115-L131 WeakPolarHBondContact O-CD1 3.24Å; L116-L131 HydrophobicContact CB-CD1 4.25Å; L116-L131 HydrophobicContact CD1-CB 4.24Å; L116-L131 HydrophobicContact CD1-CD1 4.36Å; A119-L131 HydrophobicContact CB-CD1 3.99Å; V127-L131 HydrophobicContact CG1-CD1 3.68Å; V127-L131 HydrophobicContact CG1-CG 4.04Å; V127-L131 WeakPolarHBondContact O-CB 3.29Å; V127-L131 VanDerWaalsContact O-CG 3.26Å; V127-L131 WeakPolarHBondContact O-CG 3.5Å; V127-L131 PolarHBondContact O-N 2.87Å; V128-L131 PolarHBondContact O-N 3.09Å; L131-K133 PolarHBondContact O-N 2.82Å; L131-H134 CarbonylContact O-C 3.52Å; L131-H134 PolarHBondContact O-N 3.05Å; L131-H134 VanDerWaalsContact O-N 3.15Å; L131-G135 PolarHBondContact O-N 3.3Å; L131-A136 HydrophobicContact CB-CB 3.95Å; L131-A136 WeakPolarHBondContact O-CB 3.45Å; L131-A136 PolarHBondContact O-N 3.04Å |
| 132 | L | 98.3 | Very high | 98 | Very high | 36 Ų | 36 | 50.7 Ų | 50.7 | 19% | 0.188 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 177.5 | -69.2 | 171.8 | 0 | 0 | 0 | 111.9 | L116 V128 E129 H134 G135 I138 L163 L164 | L116-L132 HydrophobicContact CD1-CD2 4.1Å; L116-L132 HydrophobicContact CD1-CG 4.07Å; L116-L132 HydrophobicContact CD2-CD2 3.91Å; V128-L132 HydrophobicContact CG1-CD1 3.99Å; V128-L132 VanDerWaalsContact O-CG 3.3Å; V128-L132 WeakPolarHBondContact O-CG 3.38Å; V128-L132 PolarHBondContact O-N 3.05Å; E129-L132 PolarHBondContact O-N 3.12Å; L132-H134 PolarHBondContact O-N 3.02Å; L132-G135 PolarHBondContact O-N 2.92Å; L132-G135 VanDerWaalsContact O-N 3.14Å; L132-I138 HydrophobicContact CD2-CB 3.99Å; L132-I138 HydrophobicContact CD2-CD1 4.25Å; L132-I138 HydrophobicContact CD2-CG1 4.25Å; L132-L163 HydrophobicContact CD1-CG 4.42Å; L132-L164 HydrophobicContact CD1-CD2 4.39Å |
| 133 | K | 98 | Very high | 97.9 | Very high | 140 Ų | 140 | 53 Ų | 53 | 61% | 0.609 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -61 | -27.3 | 174.8 | -76 | 173.5 | -177.2 | 167 | 0 | 113.2 | E129 T130 L131 | E129-K133 HydrophobicContact CG-CD 4.35Å; E129-K133 WeakPolarHBondContact O-CG 2.94Å; E129-K133 PolarHBondContact O-N 3.09Å; E129-K133 VanDerWaalsContact OE1-CE 3.32Å; E129-K133 WeakPolarHBondContact OE1-CE 3.37Å; E129-K133 IonicContact OE1-NZ 2.69Å; E129-K133 PolarHBondContact OE1-NZ 2.94Å; E129-K133 IonicContact OE2-NZ 3.63Å; T130-K133 PolarHBondContact O-N 2.86Å; L131-K133 PolarHBondContact O-N 2.82Å |
| 134 | H | 98 | Very high | 97.9 | Very high | 92 Ų | 92 | 54.3 Ų | 54.3 | 43% | 0.426 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 19.8 | 178.9 | -65.6 | 80.3 | 0 | 0 | 0 | 113 | F99 T130 L131 L132 | F99-H134 HydrophobicContact CD1-CB 3.83Å; F99-H134 AromaticContact CD1-CG 3.99Å; F99-H134 HydrophobicContact CD2-CB 4Å; F99-H134 AromaticContact CD2-CD2 3.93Å; F99-H134 AromaticContact CD2-CG 3.61Å; F99-H134 AromaticContact CD2-ND1 3.68Å; F99-H134 HydrophobicContact CE1-CB 3.68Å; F99-H134 HydrophobicContact CE2-CB 3.81Å; F99-H134 AromaticContact CE2-CG 3.87Å; F99-H134 AromaticContact CE2-ND1 3.95Å; F99-H134 HydrophobicContact CG-CB 4Å; F99-H134 AromaticContact CG-CD2 3.61Å; F99-H134 AromaticContact CG-CG 3.66Å; F99-H134 HydrophobicContact CZ-CB 3.64Å; T130-H134 PolarHBondContact O-N 2.77Å; T130-H134 VanDerWaalsContact O-N 3.17Å; T130-H134 PolarHBondContact O-ND1 3.02Å; L131-H134 CarbonylContact O-C 3.52Å; L131-H134 PolarHBondContact O-N 3.05Å; L131-H134 VanDerWaalsContact O-N 3.15Å; L132-H134 PolarHBondContact O-N 3.02Å |
| 135 | G | 96.2 | Very high | 97.8 | Very high | 52 Ų | 52 | 52 Ų | 52 | 54% | 0.536 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | 12.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | L131 L132 N137 | L131-G135 PolarHBondContact O-N 3.3Å; L132-G135 PolarHBondContact O-N 2.92Å; L132-G135 VanDerWaalsContact O-N 3.14Å; G135-N137 PolarHBondContact O-N 3.26Å |
| 136 | A | 97.8 | Very high | 97.8 | Very high | 11 Ų | 11 | 48.2 Ų | 48.2 | 9% | 0.091 | 24% | 0.242 | C | C | . | . | trans | -58.6 | 131.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | T105 L116 L131 I138 | T105-A136 HydrophobicContact CG2-CB 3.87Å; L116-A136 HydrophobicContact CB-CB 4.23Å; L116-A136 HydrophobicContact CD2-CB 4.29Å; L131-A136 HydrophobicContact CB-CB 3.95Å; L131-A136 WeakPolarHBondContact O-CB 3.45Å; L131-A136 PolarHBondContact O-N 3.04Å; A136-I138 PolarHBondContact O-N 2.94Å | ||
| 137 | N | 97.8 | Very high | 97.7 | Very high | 65 Ų | 65 | 42.9 Ų | 42.9 | 35% | 0.348 | 22% | 0.217 | S | C | . | . | trans | -73.1 | 112.2 | -178.3 | 179.7 | 12.4 | 0 | 0 | 0 | 111.6 | L116 G135 H139 D140 | L116-N137 WeakPolarHBondContact CD2-O 3.21Å; G135-N137 PolarHBondContact O-N 3.26Å; N137-H139 PolarHBondContact O-N 3.07Å; N137-H139 VanDerWaalsContact O-N 3.13Å; N137-H139 PolarHBondContact OD1-N 3.02Å; N137-D140 PolarHBondContact ND2-OD1 3.14Å; N137-D140 WeakPolarHBondContact O-CB 2.89Å; N137-D140 PolarHBondContact O-N 3.03Å; N137-D140 VanDerWaalsContact O-N 3.16Å | ||
| 138 | I | 97.6 | Very high | 97.7 | Very high | 20 Ų | 20 | 42.9 Ų | 42.9 | 10% | 0.103 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -18.8 | 178.9 | -164.6 | 163.9 | 0 | 0 | 0 | 114.2 | L132 A136 L164 S167 A169 | L132-I138 HydrophobicContact CD2-CB 3.99Å; L132-I138 HydrophobicContact CD2-CD1 4.25Å; L132-I138 HydrophobicContact CD2-CG1 4.25Å; A136-I138 PolarHBondContact O-N 2.94Å; I138-L164 HydrophobicContact CD1-CD2 4.19Å; I138-L164 WeakPolarHBondContact CD1-O 3.35Å; I138-L164 HydrophobicContact CG1-CD2 4.19Å; I138-S167 WeakPolarHBondContact CD1-O 3.4Å; I138-A169 HydrophobicContact CD1-CB 3.87Å; I138-A169 HydrophobicContact CG1-CB 4.08Å |
| 139 | H | 96.4 | Very high | 97.7 | Very high | 86 Ų | 86 | 43 Ų | 43 | 40% | 0.398 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 6.6 | -179.7 | -59.3 | -46.7 | 0 | 0 | 0 | 113.7 | N137 G168 | N137-H139 PolarHBondContact O-N 3.07Å; N137-H139 VanDerWaalsContact O-N 3.13Å; N137-H139 PolarHBondContact OD1-N 3.02Å; H139-G168 PolarHBondContact CE1-O 2.96Å |
| 140 | D | 96.9 | Very high | 97.7 | Very high | 6 Ų | 6 | 39.5 Ų | 39.5 | 3% | 0.032 | 20% | 0.201 | C | C | . | . | trans | -60.9 | 148.4 | 172.5 | -75 | -21.2 | 0 | 0 | 0 | 112.3 | R108 T114 L117 N137 | R108-D140 IonicContact CZ-OD1 3.77Å; R108-D140 IonicContact NH1-OD1 3.92Å; R108-D140 PolarHBondContact NH1-OD1 3.49Å; R108-D140 IonicContact NH2-OD1 3.98Å; R108-D140 PolarHBondContact NH2-OD1 3.38Å; R108-D140 IonicContact NH2-OD2 2.68Å; T114-D140 HydrophobicContact CG2-CB 4.23Å; T114-D140 WeakPolarHBondContact CG2-OD2 3.38Å; L117-D140 HydrophobicContact CD1-CB 4.41Å; N137-D140 PolarHBondContact ND2-OD1 3.14Å; N137-D140 WeakPolarHBondContact O-CB 2.89Å; N137-D140 PolarHBondContact O-N 3.03Å; N137-D140 VanDerWaalsContact O-N 3.16Å | ||
| 141 | Q | 97.2 | Very high | 97.7 | Very high | 65 Ų | 65 | 39.4 Ų | 39.4 | 30% | 0.304 | 20% | 0.201 | S | C | . | . | B | Isolated β-bridge | trans | -139.4 | 147.6 | -175.9 | -64.6 | 176.7 | -6.8 | 0 | 0 | 110.6 | A146 T147 | Q141-A146 VanDerWaalsContact CA-O 3.29Å; Q141-A146 WeakPolarHBondContact CA-O 3.48Å; Q141-T147 HydrophobicContact CG-CG2 3.7Å |
| 142 | L | 98.1 | Very high | 97.7 | Very high | 25 Ų | 25 | 39.4 Ų | 39.4 | 13% | 0.131 | 20% | 0.201 | C | C | . | . | trans | -64.8 | 162.4 | 159.8 | -60.3 | -177.3 | 0 | 0 | 0 | 110 | D111 G113 L117 D144 G145 A146 L151 | D111-L142 WeakPolarHBondContact O-CA 3.43Å; G113-L142 VanDerWaalsContact CA-CD2 3.43Å; L117-L142 HydrophobicContact CD1-CD2 3.85Å; L117-L142 HydrophobicContact CD1-CG 4.18Å; L142-D144 WeakPolarHBondContact CB-OD1 3.44Å; L142-D144 PolarHBondContact O-N 3.07Å; L142-D144 VanDerWaalsContact O-N 3.09Å; L142-G145 WeakPolarHBondContact O-CA 3.23Å; L142-G145 PolarHBondContact O-N 2.88Å; L142-A146 HydrophobicContact CB-CB 4.23Å; L142-A146 HydrophobicContact CD1-CB 4.06Å; L142-A146 HydrophobicContact CG-CB 4.29Å; L142-A146 PolarHBondContact N-O 3.23Å; L142-L151 HydrophobicContact CD1-CD1 4.28Å; L142-L151 HydrophobicContact CD1-CD2 4.25Å | ||
| 143 | Y | 97.2 | Very high | 97.7 | Very high | 151 Ų | 151 | 37.7 Ų | 37.7 | 59% | 0.592 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62 | -17.8 | 179.1 | -68.7 | -16.3 | 0 | 0 | 0 | 114.7 | K110 D111 G145 Q176 | K110-Y143 WeakPolarHBondContact O-CE2 3.47Å; D111-Y143 PolarHBondContact O-N 3.29Å; Y143-G145 VanDerWaalsContact C-N 3.29Å; Y143-Q176 VanDerWaalsContact O-CD 3.25Å; Y143-Q176 PolarHBondContact O-NE2 2.93Å; Y143-Q176 PolarHBondContact O-OE1 3.38Å |
| 144 | D | 96.2 | Very high | 97.7 | Very high | 47 Ų | 47 | 34.5 Ų | 34.5 | 25% | 0.251 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 5 | 173.4 | 67.8 | 7.2 | 0 | 0 | 0 | 113.7 | L142 A146 R175 Q176 | L142-D144 WeakPolarHBondContact CB-OD1 3.44Å; L142-D144 PolarHBondContact O-N 3.07Å; L142-D144 VanDerWaalsContact O-N 3.09Å; D144-A146 WeakPolarHBondContact OD1-CB 3.31Å; D144-A146 PolarHBondContact OD1-N 3.03Å; D144-R175 VanDerWaalsContact CB-NH2 3.31Å; D144-R175 VanDerWaalsContact CG-CZ 3.42Å; D144-R175 WeakPolarHBondContact O-CB 3.27Å; D144-R175 PolarHBondContact O-NE 3.25Å; D144-R175 IonicContact OD1-CZ 3Å; D144-R175 IonicContact OD1-NE 3.78Å; D144-R175 IonicContact OD2-CZ 3.42Å; D144-R175 IonicContact OD2-NE 3.25Å; D144-R175 IonicContact OD2-NH1 3.38Å; D144-R175 PolarHBondContact OD2-NH1 3.49Å; D144-R175 IonicContact OD2-NH2 2.67Å; D144-R175 PolarHBondContact OD2-NH2 3.48Å; D144-Q176 PolarHBondContact O-N 2.63Å |
| 145 | G | 97.1 | Very high | 97.7 | Very high | 6 Ų | 6 | 31.4 Ų | 31.4 | 6% | 0.062 | 17% | 0.172 | C | C | . | . | trans | 86 | 3.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115 | L142 Y143 T147 | L142-G145 WeakPolarHBondContact O-CA 3.23Å; L142-G145 PolarHBondContact O-N 2.88Å; Y143-G145 VanDerWaalsContact C-N 3.29Å; G145-T147 PolarHBondContact O-N 3Å | ||
| 146 | A | 98 | Very high | 97.8 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -68.9 | 120.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q141 L142 D144 F150 L151 R175 | Q141-A146 VanDerWaalsContact CA-O 3.29Å; Q141-A146 WeakPolarHBondContact CA-O 3.48Å; L142-A146 HydrophobicContact CB-CB 4.23Å; L142-A146 HydrophobicContact CD1-CB 4.06Å; L142-A146 HydrophobicContact CG-CB 4.29Å; L142-A146 PolarHBondContact N-O 3.23Å; D144-A146 WeakPolarHBondContact OD1-CB 3.31Å; D144-A146 PolarHBondContact OD1-N 3.03Å; A146-F150 HydrophobicContact CB-CD1 3.86Å; A146-F150 HydrophobicContact CB-CE1 4.47Å; A146-F150 HydrophobicContact CB-CG 4.34Å; A146-L151 HydrophobicContact CB-CD2 4.2Å; A146-L151 HydrophobicContact CB-CG 4.39Å; A146-R175 HydrophobicContact CB-CG 4.16Å | ||
| 147 | T | 98.3 | Very high | 97.8 | Very high | 10 Ų | 10 | 33.4 Ų | 33.4 | 6% | 0.061 | 17% | 0.168 | C | C | . | . | B | Isolated β-bridge | trans | -86.4 | 168.6 | 174.5 | 59.6 | 0 | 0 | 0 | 0 | 111.8 | Q141 G145 L149 F150 L151 Q173 | Q141-T147 HydrophobicContact CG-CG2 3.7Å; G145-T147 PolarHBondContact O-N 3Å; T147-L149 PolarHBondContact O-N 3.15Å; T147-F150 WeakPolarHBondContact O-CB 3.4Å; T147-F150 PolarHBondContact O-N 3.41Å; T147-F150 VanDerWaalsContact O-N 3.1Å; T147-F150 PolarHBondContact OG1-N 2.94Å; T147-F150 VanDerWaalsContact OG1-N 3.15Å; T147-L151 WeakPolarHBondContact O-CG 3.14Å; T147-L151 PolarHBondContact O-N 3.38Å; T147-Q173 HydrophobicContact CG2-CB 4.23Å; T147-Q173 HydrophobicContact CG2-CG 3.76Å |
| 148 | A | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.008 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -53.8 | -41.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112 | L116 L117 S120 L151 A152 L164 | L116-A148 HydrophobicContact CG-CB 4.37Å; L117-A148 HydrophobicContact CD2-CB 3.99Å; S120-A148 WeakPolarHBondContact CB-O 3.36Å; A148-L151 PolarHBondContact O-N 3.36Å; A148-A152 WeakPolarHBondContact O-CB 3.19Å; A148-A152 PolarHBondContact O-N 3.06Å; A148-L164 HydrophobicContact CB-CD1 3.87Å; A148-L164 HydrophobicContact CB-CD2 3.97Å |
| 149 | L | 98.5 | Very high | 97.8 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.9 | -41.7 | 178.1 | -175.3 | 68.4 | 0 | 0 | 0 | 111.5 | T147 A152 A153 I161 L164 L165 A169 P181 M197 | T147-L149 PolarHBondContact O-N 3.15Å; L149-A152 PolarHBondContact O-N 3.24Å; L149-A153 VanDerWaalsContact O-CB 3.24Å; L149-A153 WeakPolarHBondContact O-CB 3.46Å; L149-A153 PolarHBondContact O-N 3.43Å; L149-I161 HydrophobicContact CD1-CB 4.31Å; L149-I161 HydrophobicContact CD1-CG1 4.22Å; L149-I161 HydrophobicContact CD1-CG2 3.91Å; L149-L164 HydrophobicContact CB-CD1 4.41Å; L149-L164 HydrophobicContact CD1-CB 4.32Å; L149-L164 HydrophobicContact CD1-CD1 4.5Å; L149-L165 HydrophobicContact CD1-CD1 4.45Å; L149-L165 HydrophobicContact CD1-CD2 4.12Å; L149-L165 HydrophobicContact CD1-CG 3.96Å; L149-L165 HydrophobicContact CD2-CD2 3.76Å; L149-A169 HydrophobicContact CB-CB 4.34Å; L149-A169 HydrophobicContact CD2-CB 4.45Å; L149-P181 HydrophobicContact CD2-CB 4.44Å; L149-P181 HydrophobicContact CD2-CG 4.33Å; L149-P181 HydrophobicContact CG-CB 4.36Å; L149-M197 HydrophobicContact CD1-CE 3.97Å; L149-M197 HydrophobicContact CG-CE 4.04Å |
| 150 | F | 98.5 | Very high | 97.9 | Very high | 3 Ų | 3 | 31.9 Ų | 31.9 | 1% | 0.013 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.3 | -48.4 | 176 | -176.9 | -81.4 | 0 | 0 | 0 | 111.6 | A146 T147 A152 A153 Q154 R175 T179 P181 I184 | A146-F150 HydrophobicContact CB-CD1 3.86Å; A146-F150 HydrophobicContact CB-CE1 4.47Å; A146-F150 HydrophobicContact CB-CG 4.34Å; T147-F150 WeakPolarHBondContact O-CB 3.4Å; T147-F150 PolarHBondContact O-N 3.41Å; T147-F150 VanDerWaalsContact O-N 3.1Å; T147-F150 PolarHBondContact OG1-N 2.94Å; T147-F150 VanDerWaalsContact OG1-N 3.15Å; F150-A152 PolarHBondContact O-N 3.36Å; F150-A153 WeakPolarHBondContact O-CB 3.24Å; F150-A153 PolarHBondContact O-N 3.37Å; F150-Q154 PolarHBondContact O-N 3.38Å; F150-R175 HydrophobicContact CD2-CG 4Å; F150-R175 HydrophobicContact CE1-CG 4.4Å; F150-R175 HydrophobicContact CE2-CG 3.85Å; F150-R175 HydrophobicContact CG-CG 4.34Å; F150-R175 HydrophobicContact CZ-CG 4.08Å; F150-T179 HydrophobicContact CE2-CG2 3.6Å; F150-T179 HydrophobicContact CZ-CG2 3.96Å; F150-P181 HydrophobicContact CB-CG 4.37Å; F150-P181 HydrophobicContact CD2-CG 4.41Å; F150-I184 HydrophobicContact CD1-CG2 4.48Å; F150-I184 HydrophobicContact CD2-CG2 3.9Å; F150-I184 HydrophobicContact CE1-CB 4.44Å; F150-I184 HydrophobicContact CE1-CG1 4.2Å; F150-I184 HydrophobicContact CE1-CG2 4.2Å; F150-I184 HydrophobicContact CE2-CB 3.88Å; F150-I184 HydrophobicContact CE2-CG1 4.48Å; F150-I184 HydrophobicContact CE2-CG2 3.59Å; F150-I184 HydrophobicContact CG-CG2 4.33Å; F150-I184 HydrophobicContact CZ-CB 3.74Å; F150-I184 HydrophobicContact CZ-CD1 4.41Å; F150-I184 HydrophobicContact CZ-CG1 3.84Å; F150-I184 HydrophobicContact CZ-CG2 3.74Å |
| 151 | L | 98.5 | Very high | 98 | Very high | 10 Ų | 10 | 31.6 Ų | 31.6 | 5% | 0.052 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.4 | -41 | -179.2 | -64.4 | 171.2 | 0 | 0 | 0 | 111.6 | L117 Q121 L142 A146 T147 A148 Q154 G155 | L117-L151 HydrophobicContact CB-CD1 3.92Å; L117-L151 HydrophobicContact CD2-CD1 4.02Å; Q121-L151 HydrophobicContact CB-CB 4.02Å; Q121-L151 HydrophobicContact CB-CD1 4.26Å; Q121-L151 HydrophobicContact CG-CD2 4.49Å; L142-L151 HydrophobicContact CD1-CD1 4.28Å; L142-L151 HydrophobicContact CD1-CD2 4.25Å; A146-L151 HydrophobicContact CB-CD2 4.2Å; A146-L151 HydrophobicContact CB-CG 4.39Å; T147-L151 WeakPolarHBondContact O-CG 3.14Å; T147-L151 PolarHBondContact O-N 3.38Å; A148-L151 PolarHBondContact O-N 3.36Å; L151-Q154 WeakPolarHBondContact O-CB 3.41Å; L151-Q154 PolarHBondContact O-N 3.1Å; L151-G155 PolarHBondContact O-N 2.99Å; L151-G155 VanDerWaalsContact O-N 3.11Å |
| 152 | A | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.7 | -38.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A148 L149 F150 G155 G156 Y157 V160 I161 L164 | A148-A152 WeakPolarHBondContact O-CB 3.19Å; A148-A152 PolarHBondContact O-N 3.06Å; L149-A152 PolarHBondContact O-N 3.24Å; F150-A152 PolarHBondContact O-N 3.36Å; A152-G155 PolarHBondContact O-N 3.46Å; A152-G156 PolarHBondContact O-N 3.03Å; A152-Y157 PolarHBondContact O-N 3.22Å; A152-Y157 VanDerWaalsContact O-N 3.08Å; A152-V160 HydrophobicContact CB-CB 4.2Å; A152-V160 HydrophobicContact CB-CG1 3.68Å; A152-I161 HydrophobicContact CB-CD1 4.43Å; A152-I161 HydrophobicContact CB-CG1 3.74Å; A152-L164 HydrophobicContact CB-CD1 4.24Å |
| 153 | A | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.1 | -39.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L149 F150 G156 I161 P181 I184 A185 H190 V193 M197 | L149-A153 VanDerWaalsContact O-CB 3.24Å; L149-A153 WeakPolarHBondContact O-CB 3.46Å; L149-A153 PolarHBondContact O-N 3.43Å; F150-A153 WeakPolarHBondContact O-CB 3.24Å; F150-A153 PolarHBondContact O-N 3.37Å; A153-G156 PolarHBondContact O-N 3.27Å; A153-I161 HydrophobicContact CB-CD1 4.42Å; A153-P181 HydrophobicContact CB-CB 4.2Å; A153-I184 HydrophobicContact CB-CG2 4.02Å; A153-A185 HydrophobicContact CB-CB 4.29Å; A153-H190 PolarHBondContact O-CD2 3.26Å; A153-V193 HydrophobicContact CB-CG1 4.49Å; A153-M197 HydrophobicContact CB-CE 3.37Å; A153-M197 HydrophobicContact CB-SD 4.36Å |
| 154 | Q | 98.3 | Very high | 98.1 | Very high | 72 Ų | 72 | 26.4 Ų | 26.4 | 34% | 0.336 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -63.3 | -42.4 | 174.3 | -175.1 | -179.5 | -40 | 0 | 0 | 111.6 | F150 L151 I184 M188 H190 | F150-Q154 PolarHBondContact O-N 3.38Å; L151-Q154 WeakPolarHBondContact O-CB 3.41Å; L151-Q154 PolarHBondContact O-N 3.1Å; Q154-I184 HydrophobicContact CB-CG1 3.77Å; Q154-I184 HydrophobicContact CB-CG2 4.49Å; Q154-I184 HydrophobicContact CG-CD1 4.34Å; Q154-I184 HydrophobicContact CG-CG1 3.83Å; Q154-M188 HydrophobicContact CG-CE 3.82Å; Q154-M188 HydrophobicContact CG-CG 4.39Å; Q154-M188 WeakPolarHBondContact O-CG 3.41Å; Q154-H190 PolarHBondContact O-NE2 3.27Å; Q154-H190 VanDerWaalsContact O-NE2 3.13Å |
| 155 | G | 97.4 | Very high | 98.2 | Very high | 28 Ų | 28 | 25.1 Ų | 25.1 | 29% | 0.289 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -77.6 | -15.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | L151 A152 | L151-G155 PolarHBondContact O-N 2.99Å; L151-G155 VanDerWaalsContact O-N 3.11Å; A152-G155 PolarHBondContact O-N 3.46Å |
| 156 | G | 98 | Very high | 98.2 | Very high | 21 Ų | 21 | 28.4 Ų | 28.4 | 22% | 0.216 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 17.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | A152 A153 L158 H190 | A152-G156 PolarHBondContact O-N 3.03Å; A153-G156 PolarHBondContact O-N 3.27Å; G156-L158 PolarHBondContact O-N 3.28Å; G156-H190 WeakPolarHBondContact CA-CD2 3.48Å; G156-H190 WeakPolarHBondContact CA-NE2 3.46Å; G156-H190 PolarHBondContact N-CD2 2.93Å; G156-H190 PolarHBondContact N-NE2 3.47Å |
| 157 | Y | 98.6 | Very high | 98.2 | Very high | 83 Ų | 83 | 31 Ų | 31 | 33% | 0.325 | 18% | 0.176 | S | C | . | . | trans | -81.3 | 84.9 | -172.8 | -52.6 | -59.7 | 0 | 0 | 0 | 111.8 | S120 Q121 G123 A152 D159 V160 I161 | S120-Y157 WeakPolarHBondContact O-CD2 3.33Å; Q121-Y157 VanDerWaalsContact O-CE2 3.23Å; Q121-Y157 WeakPolarHBondContact O-CE2 3.25Å; G123-Y157 VanDerWaalsContact N-CE2 3.29Å; A152-Y157 PolarHBondContact O-N 3.22Å; A152-Y157 VanDerWaalsContact O-N 3.08Å; Y157-D159 VanDerWaalsContact C-N 3.31Å; Y157-D159 PolarHBondContact O-N 2.91Å; Y157-V160 PolarHBondContact O-N 3.48Å; Y157-I161 VanDerWaalsContact O-CG1 3.31Å; Y157-I161 WeakPolarHBondContact O-CG1 3.48Å; Y157-I161 PolarHBondContact O-N 3.49Å | ||
| 158 | L | 97.9 | Very high | 98.1 | Very high | 41 Ų | 41 | 32.7 Ų | 32.7 | 22% | 0.215 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -53.7 | -44 | -174.5 | -171 | 63 | 0 | 0 | 0 | 113.5 | G156 I161 R162 E192 V193 V196 | G156-L158 PolarHBondContact O-N 3.28Å; L158-I161 WeakPolarHBondContact O-CB 3.26Å; L158-I161 PolarHBondContact O-N 3.41Å; L158-R162 WeakPolarHBondContact O-CG 3.41Å; L158-R162 PolarHBondContact O-N 3.03Å; L158-E192 HydrophobicContact CD2-CB 4.26Å; L158-V193 HydrophobicContact CD1-CG2 4.16Å; L158-V196 HydrophobicContact CD1-CB 4.06Å; L158-V196 HydrophobicContact CD1-CG2 3.72Å |
| 159 | D | 98.1 | Very high | 98 | Very high | 98 Ų | 98 | 33.3 Ų | 33.3 | 52% | 0.524 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -68.7 | -39.5 | -176.3 | -60.1 | -34.1 | 0 | 0 | 0 | 112.1 | M125 Y157 I161 R162 L163 | M125-D159 HydrophobicContact CG-CB 4.34Å; M125-D159 HydrophobicContact SD-CB 3.56Å; M125-D159 VanDerWaalsContact SD-CB 3.56Å; Y157-D159 VanDerWaalsContact C-N 3.31Å; Y157-D159 PolarHBondContact O-N 2.91Å; D159-I161 VanDerWaalsContact C-N 3.32Å; D159-I161 PolarHBondContact O-N 3.4Å; D159-R162 PolarHBondContact O-N 3.42Å; D159-L163 WeakPolarHBondContact O-CB 3.42Å; D159-L163 PolarHBondContact O-N 3.16Å |
| 160 | V | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.5 | -43.3 | 172.3 | 175.8 | 0 | 0 | 0 | 0 | 110.5 | M125 V128 A152 Y157 R162 L163 L164 | M125-V160 HydrophobicContact CB-CG2 4.01Å; V128-V160 HydrophobicContact CG1-CG1 4.46Å; V128-V160 HydrophobicContact CG2-CG1 4.13Å; A152-V160 HydrophobicContact CB-CB 4.2Å; A152-V160 HydrophobicContact CB-CG1 3.68Å; Y157-V160 PolarHBondContact O-N 3.48Å; V160-R162 PolarHBondContact O-N 2.98Å; V160-L163 PolarHBondContact O-N 3.11Å; V160-L164 HydrophobicContact CG1-CD1 3.69Å; V160-L164 HydrophobicContact CG1-CG 4.11Å; V160-L164 WeakPolarHBondContact O-CB 3.42Å; V160-L164 VanDerWaalsContact O-CG 3.26Å; V160-L164 WeakPolarHBondContact O-CG 3.35Å; V160-L164 PolarHBondContact O-N 3.21Å |
| 161 | I | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.6 | -45.1 | 179.2 | -69.7 | 166.9 | 0 | 0 | 0 | 111.1 | L149 A152 A153 Y157 L158 D159 L163 L164 L165 V193 M197 | L149-I161 HydrophobicContact CD1-CB 4.31Å; L149-I161 HydrophobicContact CD1-CG1 4.22Å; L149-I161 HydrophobicContact CD1-CG2 3.91Å; A152-I161 HydrophobicContact CB-CD1 4.43Å; A152-I161 HydrophobicContact CB-CG1 3.74Å; A153-I161 HydrophobicContact CB-CD1 4.42Å; Y157-I161 VanDerWaalsContact O-CG1 3.31Å; Y157-I161 WeakPolarHBondContact O-CG1 3.48Å; Y157-I161 PolarHBondContact O-N 3.49Å; L158-I161 WeakPolarHBondContact O-CB 3.26Å; L158-I161 PolarHBondContact O-N 3.41Å; D159-I161 VanDerWaalsContact C-N 3.32Å; D159-I161 PolarHBondContact O-N 3.4Å; I161-L163 VanDerWaalsContact C-N 3.32Å; I161-L163 PolarHBondContact O-N 2.94Å; I161-L164 PolarHBondContact O-N 3.33Å; I161-L165 HydrophobicContact CG2-CD1 3.71Å; I161-L165 HydrophobicContact CG2-CG 4.4Å; I161-L165 WeakPolarHBondContact O-CB 3.4Å; I161-L165 VanDerWaalsContact O-CG 3.24Å; I161-L165 WeakPolarHBondContact O-CG 3.49Å; I161-L165 PolarHBondContact O-N 3.26Å; I161-V193 HydrophobicContact CD1-CB 4.09Å; I161-V193 HydrophobicContact CD1-CG1 3.34Å; I161-V193 HydrophobicContact CD1-CG2 3.61Å; I161-M197 HydrophobicContact CD1-CE 4.11Å; I161-M197 HydrophobicContact CG1-CE 4.4Å; I161-M197 HydrophobicContact CG2-CE 4.08Å; I161-M197 HydrophobicContact CG2-CG 4.48Å |
| 162 | R | 98.3 | Very high | 97.7 | Very high | 96 Ų | 96 | 41.6 Ų | 41.6 | 36% | 0.362 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.4 | -44.9 | 176.2 | -72.1 | 179.2 | -172.4 | -73.3 | 2 | 111.4 | L158 D159 V160 A166 V196 | L158-R162 WeakPolarHBondContact O-CG 3.41Å; L158-R162 PolarHBondContact O-N 3.03Å; D159-R162 PolarHBondContact O-N 3.42Å; V160-R162 PolarHBondContact O-N 2.98Å; R162-A166 VanDerWaalsContact O-CB 3.29Å; R162-A166 WeakPolarHBondContact O-CB 3.41Å; R162-A166 PolarHBondContact O-N 3.22Å; R162-V196 HydrophobicContact CG-CG1 4.34Å; R162-V196 VanDerWaalsContact NH2-CG2 3.29Å |
| 163 | L | 98.5 | Very high | 97.6 | Very high | 35 Ų | 35 | 44.4 Ų | 44.4 | 18% | 0.183 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.6 | -48.3 | 178.5 | 176.6 | 62.8 | 0 | 0 | 0 | 112 | M125 V128 E129 L132 D159 V160 I161 L165 A166 S167 | M125-L163 HydrophobicContact CG-CD2 4.04Å; V128-L163 HydrophobicContact CB-CD2 4.1Å; V128-L163 HydrophobicContact CG1-CD2 3.72Å; V128-L163 HydrophobicContact CG1-CG 4.42Å; E129-L163 HydrophobicContact CB-CD2 3.75Å; E129-L163 HydrophobicContact CG-CD1 4.43Å; E129-L163 HydrophobicContact CG-CD2 4.41Å; L132-L163 HydrophobicContact CD1-CG 4.42Å; D159-L163 WeakPolarHBondContact O-CB 3.42Å; D159-L163 PolarHBondContact O-N 3.16Å; V160-L163 PolarHBondContact O-N 3.11Å; I161-L163 VanDerWaalsContact C-N 3.32Å; I161-L163 PolarHBondContact O-N 2.94Å; L163-L165 PolarHBondContact O-N 2.96Å; L163-A166 PolarHBondContact O-N 2.89Å; L163-S167 WeakPolarHBondContact O-CB 3.45Å; L163-S167 PolarHBondContact O-N 2.97Å; L163-S167 PolarHBondContact O-OG 3.1Å |
| 164 | L | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.5 | -45 | 178.7 | -71.3 | 172.9 | 0 | 0 | 0 | 111.4 | V128 L132 I138 A148 L149 A152 V160 I161 S167 G168 A169 | V128-L164 HydrophobicContact CG1-CD2 3.96Å; V128-L164 HydrophobicContact CG1-CG 4.38Å; L132-L164 HydrophobicContact CD1-CD2 4.39Å; I138-L164 HydrophobicContact CD1-CD2 4.19Å; I138-L164 WeakPolarHBondContact CD1-O 3.35Å; I138-L164 HydrophobicContact CG1-CD2 4.19Å; A148-L164 HydrophobicContact CB-CD1 3.87Å; A148-L164 HydrophobicContact CB-CD2 3.97Å; L149-L164 HydrophobicContact CB-CD1 4.41Å; L149-L164 HydrophobicContact CD1-CB 4.32Å; L149-L164 HydrophobicContact CD1-CD1 4.5Å; A152-L164 HydrophobicContact CB-CD1 4.24Å; V160-L164 HydrophobicContact CG1-CD1 3.69Å; V160-L164 HydrophobicContact CG1-CG 4.11Å; V160-L164 WeakPolarHBondContact O-CB 3.42Å; V160-L164 VanDerWaalsContact O-CG 3.26Å; V160-L164 WeakPolarHBondContact O-CG 3.35Å; V160-L164 PolarHBondContact O-N 3.21Å; I161-L164 PolarHBondContact O-N 3.33Å; L164-S167 CarbonylContact O-C 3.56Å; L164-S167 PolarHBondContact O-N 2.87Å; L164-S167 VanDerWaalsContact O-N 3.14Å; L164-G168 PolarHBondContact O-N 3.02Å; L164-A169 HydrophobicContact CB-CB 3.98Å; L164-A169 WeakPolarHBondContact O-CB 3.49Å; L164-A169 PolarHBondContact O-N 2.89Å |
| 165 | L | 97.6 | Very high | 97.3 | Very high | 21 Ų | 21 | 46.7 Ų | 46.7 | 11% | 0.11 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.3 | -37.3 | 177.4 | -68.9 | 170.7 | 0 | 0 | 0 | 112.2 | L149 I161 L163 S167 G168 V171 V196 R200 | L149-L165 HydrophobicContact CD1-CD1 4.45Å; L149-L165 HydrophobicContact CD1-CD2 4.12Å; L149-L165 HydrophobicContact CD1-CG 3.96Å; L149-L165 HydrophobicContact CD2-CD2 3.76Å; I161-L165 HydrophobicContact CG2-CD1 3.71Å; I161-L165 HydrophobicContact CG2-CG 4.4Å; I161-L165 WeakPolarHBondContact O-CB 3.4Å; I161-L165 VanDerWaalsContact O-CG 3.24Å; I161-L165 WeakPolarHBondContact O-CG 3.49Å; I161-L165 PolarHBondContact O-N 3.26Å; L163-L165 PolarHBondContact O-N 2.96Å; L165-S167 PolarHBondContact O-N 3.31Å; L165-G168 PolarHBondContact O-N 2.92Å; L165-V171 HydrophobicContact CD2-CB 3.92Å; L165-V171 HydrophobicContact CD2-CG2 4.13Å; L165-V196 HydrophobicContact CD1-CG1 4.49Å; L165-R200 HydrophobicContact CD1-CB 3.98Å; L165-R200 HydrophobicContact CD1-CG 3.9Å |
| 166 | A | 97.4 | Very high | 97.3 | Very high | 75 Ų | 75 | 52.2 Ų | 52.2 | 62% | 0.62 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -66.1 | -28.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R162 L163 G168 | R162-A166 VanDerWaalsContact O-CB 3.29Å; R162-A166 WeakPolarHBondContact O-CB 3.41Å; R162-A166 PolarHBondContact O-N 3.22Å; L163-A166 PolarHBondContact O-N 2.89Å; A166-G168 VanDerWaalsContact C-N 3.32Å |
| 167 | S | 97.1 | Very high | 97.1 | Very high | 53 Ų | 53 | 53.4 Ų | 53.4 | 37% | 0.371 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 7.4 | 179.9 | -53.3 | 0 | 0 | 0 | 0 | 113.4 | I138 L163 L164 L165 | I138-S167 WeakPolarHBondContact CD1-O 3.4Å; L163-S167 WeakPolarHBondContact O-CB 3.45Å; L163-S167 PolarHBondContact O-N 2.97Å; L163-S167 PolarHBondContact O-OG 3.1Å; L164-S167 CarbonylContact O-C 3.56Å; L164-S167 PolarHBondContact O-N 2.87Å; L164-S167 VanDerWaalsContact O-N 3.14Å; L165-S167 PolarHBondContact O-N 3.31Å |
| 168 | G | 95.9 | Very high | 96.9 | Very high | 46 Ų | 46 | 50.1 Ų | 50.1 | 47% | 0.474 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.3 | 15.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | H139 L164 L165 A166 K170 | H139-G168 PolarHBondContact CE1-O 2.96Å; L164-G168 PolarHBondContact O-N 3.02Å; L165-G168 PolarHBondContact O-N 2.92Å; A166-G168 VanDerWaalsContact C-N 3.32Å; G168-K170 PolarHBondContact O-N 3.02Å |
| 169 | A | 97.3 | Very high | 96.8 | Very high | 14 Ų | 14 | 48.3 Ų | 48.3 | 12% | 0.116 | 27% | 0.268 | C | S | . | . | trans | -60.2 | 137.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | I138 L149 L164 V171 | I138-A169 HydrophobicContact CD1-CB 3.87Å; I138-A169 HydrophobicContact CG1-CB 4.08Å; L149-A169 HydrophobicContact CB-CB 4.34Å; L149-A169 HydrophobicContact CD2-CB 4.45Å; L164-A169 HydrophobicContact CB-CB 3.98Å; L164-A169 WeakPolarHBondContact O-CB 3.49Å; L164-A169 PolarHBondContact O-N 2.89Å; A169-V171 PolarHBondContact O-N 3.28Å | ||
| 170 | K | 96.8 | Very high | 96.7 | Very high | 125 Ų | 125 | 44 Ų | 44 | 54% | 0.543 | 25% | 0.246 | S | C | . | . | trans | -73.3 | 111.8 | 177.5 | -66.5 | 179.2 | -178.4 | 177.8 | 0 | 110.1 | G168 N172 Q173 | G168-K170 PolarHBondContact O-N 3.02Å; K170-N172 VanDerWaalsContact C-N 3.31Å; K170-N172 PolarHBondContact O-N 2.94Å; K170-Q173 HydrophobicContact CB-CB 3.94Å; K170-Q173 PolarHBondContact O-N 3.19Å | ||
| 171 | V | 96.8 | Very high | 96.7 | Very high | 23 Ų | 23 | 43.9 Ų | 43.9 | 14% | 0.139 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -36.1 | -175.5 | 66.6 | 0 | 0 | 0 | 0 | 113.7 | L165 A169 P181 A202 | L165-V171 HydrophobicContact CD2-CB 3.92Å; L165-V171 HydrophobicContact CD2-CG2 4.13Å; A169-V171 PolarHBondContact O-N 3.28Å; V171-P181 WeakPolarHBondContact O-CG 3.24Å; V171-A202 HydrophobicContact CG2-CB 3.77Å |
| 172 | N | 95.8 | Very high | 96.6 | Very high | 42 Ų | 42 | 44 Ų | 44 | 23% | 0.225 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 4.5 | -173.3 | -66.3 | -29.9 | 0 | 0 | 0 | 114.6 | K170 P174 G201 A202 E203 | K170-N172 VanDerWaalsContact C-N 3.31Å; K170-N172 PolarHBondContact O-N 2.94Å; N172-P174 WeakPolarHBondContact O-CD 3.09Å; N172-G201 PolarHBondContact ND2-O 2.69Å; N172-A202 WeakPolarHBondContact OD1-CA 3.45Å; N172-E203 WeakPolarHBondContact ND2-CG 3.39Å; N172-E203 PolarHBondContact ND2-OE1 3.21Å; N172-E203 PolarHBondContact OD1-N 3.44Å |
| 173 | Q | 96.3 | Very high | 96.5 | Very high | 58 Ų | 58 | 40 Ų | 40 | 27% | 0.271 | 23% | 0.231 | S | C | . | . | trans | -63.3 | 111.6 | -174.7 | -178.3 | 63.1 | 56.2 | 0 | 0 | 110.8 | T147 K170 P181 | T147-Q173 HydrophobicContact CG2-CB 4.23Å; T147-Q173 HydrophobicContact CG2-CG 3.76Å; K170-Q173 HydrophobicContact CB-CB 3.94Å; K170-Q173 PolarHBondContact O-N 3.19Å; Q173-P181 WeakPolarHBondContact O-CD 3.45Å | ||
| 174 | P | 94.8 | Very high | 96.4 | Very high | 54 Ų | 54 | 38.8 Ų | 38.8 | 35% | 0.351 | 22% | 0.224 | S | C | . | . | trans | -84.8 | 160.4 | -177.6 | 35.5 | -34 | 0 | 0 | 0 | 111.5 | N172 T179 | N172-P174 WeakPolarHBondContact O-CD 3.09Å; P174-T179 CarbonylContact C-O 3.21Å; P174-T179 VanDerWaalsContact CA-O 3.27Å; P174-T179 WeakPolarHBondContact CA-O 3.49Å | ||
| 175 | R | 95.9 | Very high | 96.4 | Very high | 66 Ų | 66 | 38.8 Ų | 38.8 | 25% | 0.249 | 22% | 0.224 | C | C | . | . | trans | -67.3 | 171.1 | 161.6 | -76.8 | -174 | 60.1 | 174.3 | -6.2 | 111.7 | D144 A146 F150 D177 G178 T179 | D144-R175 VanDerWaalsContact CB-NH2 3.31Å; D144-R175 VanDerWaalsContact CG-CZ 3.42Å; D144-R175 WeakPolarHBondContact O-CB 3.27Å; D144-R175 PolarHBondContact O-NE 3.25Å; D144-R175 IonicContact OD1-CZ 3Å; D144-R175 IonicContact OD1-NE 3.78Å; D144-R175 IonicContact OD2-CZ 3.42Å; D144-R175 IonicContact OD2-NE 3.25Å; D144-R175 IonicContact OD2-NH1 3.38Å; D144-R175 PolarHBondContact OD2-NH1 3.49Å; D144-R175 IonicContact OD2-NH2 2.67Å; D144-R175 PolarHBondContact OD2-NH2 3.48Å; A146-R175 HydrophobicContact CB-CG 4.16Å; F150-R175 HydrophobicContact CD2-CG 4Å; F150-R175 HydrophobicContact CE1-CG 4.4Å; F150-R175 HydrophobicContact CE2-CG 3.85Å; F150-R175 HydrophobicContact CG-CG 4.34Å; F150-R175 HydrophobicContact CZ-CG 4.08Å; R175-D177 WeakPolarHBondContact CB-OD1 3.36Å; R175-D177 PolarHBondContact O-N 3.2Å; R175-G178 PolarHBondContact O-N 3.01Å; R175-T179 PolarHBondContact N-O 2.98Å | ||
| 176 | Q | 95.8 | Very high | 96.4 | Very high | 145 Ų | 145 | 37.8 Ų | 37.8 | 68% | 0.678 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -29.3 | 177.4 | -71.5 | 178 | -12.3 | 0 | 0 | 114.2 | Y143 D144 G178 N209 | Y143-Q176 VanDerWaalsContact O-CD 3.25Å; Y143-Q176 PolarHBondContact O-NE2 2.93Å; Y143-Q176 PolarHBondContact O-OE1 3.38Å; D144-Q176 PolarHBondContact O-N 2.63Å; Q176-G178 PolarHBondContact O-N 3.41Å; Q176-N209 PolarHBondContact O-ND2 3.38Å |
| 177 | D | 94 | Very high | 96.3 | Very high | 46 Ų | 46 | 36.6 Ų | 36.6 | 25% | 0.246 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 9.7 | 177.5 | 69.7 | -12.7 | 0 | 0 | 0 | 113.7 | R175 T179 R208 N209 | R175-D177 WeakPolarHBondContact CB-OD1 3.36Å; R175-D177 PolarHBondContact O-N 3.2Å; D177-T179 VanDerWaalsContact C-N 3.35Å; D177-T179 WeakPolarHBondContact OD1-CB 3.38Å; D177-T179 PolarHBondContact OD1-N 2.95Å; D177-T179 VanDerWaalsContact OD1-N 3.16Å; D177-T179 PolarHBondContact OD1-OG1 3.44Å; D177-T179 PolarHBondContact OD2-OG1 3.26Å; D177-R208 IonicContact OD1-NH1 3.12Å; D177-R208 IonicContact OD2-CZ 3.87Å; D177-R208 VanDerWaalsContact OD2-CZ 3.25Å; D177-R208 IonicContact OD2-NH1 2.69Å; D177-R208 PolarHBondContact OD2-NH1 3.32Å; D177-R208 IonicContact OD2-NH2 3.81Å; D177-R208 PolarHBondContact OD2-NH2 3.37Å; D177-N209 VanDerWaalsContact C-CG 3.4Å; D177-N209 WeakPolarHBondContact CA-ND2 3.45Å; D177-N209 WeakPolarHBondContact O-CB 3.21Å; D177-N209 PolarHBondContact O-N 3.04Å; D177-N209 PolarHBondContact O-ND2 2.74Å; D177-N209 PolarHBondContact O-OD1 3.12Å |
| 178 | G | 94.8 | Very high | 96.3 | Very high | 14 Ų | 14 | 37.6 Ų | 37.6 | 14% | 0.144 | 20% | 0.2 | C | C | . | . | S | Bend | trans | 82 | 8.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | R175 Q176 A180 | R175-G178 PolarHBondContact O-N 3.01Å; Q176-G178 PolarHBondContact O-N 3.41Å; G178-A180 PolarHBondContact O-N 3.43Å |
| 179 | T | 96.5 | Very high | 96.3 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.018 | 19% | 0.188 | C | C | . | . | trans | -74 | 113.2 | 179.4 | -44.8 | 0 | 0 | 0 | 0 | 111.9 | F150 P174 R175 D177 W183 I184 R208 | F150-T179 HydrophobicContact CE2-CG2 3.6Å; F150-T179 HydrophobicContact CZ-CG2 3.96Å; P174-T179 CarbonylContact C-O 3.21Å; P174-T179 VanDerWaalsContact CA-O 3.27Å; P174-T179 WeakPolarHBondContact CA-O 3.49Å; R175-T179 PolarHBondContact N-O 2.98Å; D177-T179 VanDerWaalsContact C-N 3.35Å; D177-T179 WeakPolarHBondContact OD1-CB 3.38Å; D177-T179 PolarHBondContact OD1-N 2.95Å; D177-T179 VanDerWaalsContact OD1-N 3.16Å; D177-T179 PolarHBondContact OD1-OG1 3.44Å; D177-T179 PolarHBondContact OD2-OG1 3.26Å; T179-W183 HydrophobicContact CG2-CB 4.25Å; T179-W183 HydrophobicContact CG2-CD2 3.98Å; T179-W183 HydrophobicContact CG2-CE3 3.3Å; T179-W183 HydrophobicContact CG2-CG 4.37Å; T179-W183 HydrophobicContact CG2-CZ3 3.86Å; T179-I184 HydrophobicContact CG2-CB 4.32Å; T179-R208 PolarHBondContact OG1-NH1 3.01Å | ||
| 180 | A | 96.3 | Very high | 96.4 | Very high | 6 Ų | 6 | 38.4 Ų | 38.4 | 5% | 0.05 | 20% | 0.195 | C | C | . | . | trans | -78.9 | 155.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G178 L182 W183 I184 A206 | G178-A180 PolarHBondContact O-N 3.43Å; A180-L182 VanDerWaalsContact C-N 3.28Å; A180-L182 PolarHBondContact O-N 2.86Å; A180-W183 WeakPolarHBondContact O-CB 3.33Å; A180-W183 PolarHBondContact O-N 2.98Å; A180-I184 PolarHBondContact O-N 3.18Å; A180-A206 HydrophobicContact CB-CB 4.33Å | ||
| 181 | P | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56.1 | -38.6 | 175 | -27.2 | 36.4 | 0 | 0 | 0 | 113.7 | L149 F150 A153 V171 Q173 W183 I184 A185 M197 | L149-P181 HydrophobicContact CD2-CB 4.44Å; L149-P181 HydrophobicContact CD2-CG 4.33Å; L149-P181 HydrophobicContact CG-CB 4.36Å; F150-P181 HydrophobicContact CB-CG 4.37Å; F150-P181 HydrophobicContact CD2-CG 4.41Å; A153-P181 HydrophobicContact CB-CB 4.2Å; V171-P181 WeakPolarHBondContact O-CG 3.24Å; Q173-P181 WeakPolarHBondContact O-CD 3.45Å; P181-W183 VanDerWaalsContact C-N 3.32Å; P181-W183 PolarHBondContact O-N 3.38Å; P181-I184 WeakPolarHBondContact O-CG2 3.34Å; P181-I184 PolarHBondContact O-N 2.97Å; P181-A185 PolarHBondContact O-N 3.5Å; P181-A185 VanDerWaalsContact O-N 3.1Å; P181-M197 HydrophobicContact CB-CE 3.83Å; P181-M197 HydrophobicContact CB-SD 4.05Å |
| 182 | L | 97 | Very high | 96.4 | Very high | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.3 | -42.1 | 175.5 | -174.3 | 73 | 0 | 0 | 0 | 111.7 | A180 I184 A185 S186 V194 M197 L198 A202 L230 | A180-L182 VanDerWaalsContact C-N 3.28Å; A180-L182 PolarHBondContact O-N 2.86Å; L182-I184 PolarHBondContact O-N 3.08Å; L182-A185 PolarHBondContact O-N 3.2Å; L182-S186 PolarHBondContact O-N 3.4Å; L182-S186 PolarHBondContact O-OG 3.3Å; L182-V194 HydrophobicContact CD1-CB 4.26Å; L182-V194 HydrophobicContact CD1-CG1 3.99Å; L182-V194 HydrophobicContact CD1-CG2 4.29Å; L182-M197 HydrophobicContact CB-SD 4.46Å; L182-M197 HydrophobicContact CD1-CB 3.81Å; L182-M197 HydrophobicContact CD1-SD 4.5Å; L182-L198 HydrophobicContact CD1-CD2 4.3Å; L182-L198 HydrophobicContact CD1-CG 4.07Å; L182-L198 HydrophobicContact CD2-CD2 3.83Å; L182-L198 HydrophobicContact CD2-CG 4.49Å; L182-A202 HydrophobicContact CB-CB 4.23Å; L182-A202 HydrophobicContact CD1-CB 4.2Å; L182-A202 HydrophobicContact CD2-CB 4.13Å; L182-A202 HydrophobicContact CG-CB 4.43Å; L182-L230 HydrophobicContact CD2-CD2 4.32Å |
| 183 | W | 96.2 | Very high | 96.5 | Very high | 12 Ų | 12 | 35.3 Ų | 35.3 | 5% | 0.045 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.7 | -44.7 | -178.7 | -171.9 | 104.2 | 0 | 0 | 0 | 111.7 | T179 A180 P181 S186 Q187 R208 T212 T213 K217 | T179-W183 HydrophobicContact CG2-CB 4.25Å; T179-W183 HydrophobicContact CG2-CD2 3.98Å; T179-W183 HydrophobicContact CG2-CE3 3.3Å; T179-W183 HydrophobicContact CG2-CG 4.37Å; T179-W183 HydrophobicContact CG2-CZ3 3.86Å; A180-W183 WeakPolarHBondContact O-CB 3.33Å; A180-W183 PolarHBondContact O-N 2.98Å; P181-W183 VanDerWaalsContact C-N 3.32Å; P181-W183 PolarHBondContact O-N 3.38Å; W183-S186 PolarHBondContact O-N 3.23Å; W183-Q187 HydrophobicContact CE3-CB 4.32Å; W183-Q187 HydrophobicContact CZ3-CB 4.15Å; W183-Q187 PolarHBondContact O-N 3.11Å; W183-R208 HydrophobicContact CD2-CG 4.23Å; W183-R208 HydrophobicContact CG-CG 4.39Å; W183-R208 HydrophobicContact CZ2-CG 4.43Å; W183-T212 HydrophobicContact CZ2-CG2 4.17Å; W183-T212 PolarHBondContact NE1-O 3.32Å; W183-T212 VanDerWaalsContact NE1-O 3.1Å; W183-T213 VanDerWaalsContact CD1-C 3.43Å; W183-T213 PolarHBondContact NE1-O 2.98Å; W183-K217 HydrophobicContact CH2-CD 4.13Å; W183-K217 HydrophobicContact CH2-CG 4.13Å; W183-K217 HydrophobicContact CZ2-CB 4.09Å; W183-K217 HydrophobicContact CZ2-CD 3.76Å; W183-K217 HydrophobicContact CZ2-CG 3.71Å |
| 184 | I | 97.5 | Very high | 96.5 | Very high | 9 Ų | 9 | 32.6 Ų | 32.6 | 5% | 0.046 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.4 | -37 | 179.4 | -168.8 | 62.3 | 0 | 0 | 0 | 111.6 | F150 A153 Q154 T179 A180 P181 L182 S186 Q187 M188 | F150-I184 HydrophobicContact CD1-CG2 4.48Å; F150-I184 HydrophobicContact CD2-CG2 3.9Å; F150-I184 HydrophobicContact CE1-CB 4.44Å; F150-I184 HydrophobicContact CE1-CG1 4.2Å; F150-I184 HydrophobicContact CE1-CG2 4.2Å; F150-I184 HydrophobicContact CE2-CB 3.88Å; F150-I184 HydrophobicContact CE2-CG1 4.48Å; F150-I184 HydrophobicContact CE2-CG2 3.59Å; F150-I184 HydrophobicContact CG-CG2 4.33Å; F150-I184 HydrophobicContact CZ-CB 3.74Å; F150-I184 HydrophobicContact CZ-CD1 4.41Å; F150-I184 HydrophobicContact CZ-CG1 3.84Å; F150-I184 HydrophobicContact CZ-CG2 3.74Å; A153-I184 HydrophobicContact CB-CG2 4.02Å; Q154-I184 HydrophobicContact CB-CG1 3.77Å; Q154-I184 HydrophobicContact CB-CG2 4.49Å; Q154-I184 HydrophobicContact CG-CD1 4.34Å; Q154-I184 HydrophobicContact CG-CG1 3.83Å; T179-I184 HydrophobicContact CG2-CB 4.32Å; A180-I184 PolarHBondContact O-N 3.18Å; P181-I184 WeakPolarHBondContact O-CG2 3.34Å; P181-I184 PolarHBondContact O-N 2.97Å; L182-I184 PolarHBondContact O-N 3.08Å; I184-S186 VanDerWaalsContact C-N 3.32Å; I184-S186 PolarHBondContact O-N 2.91Å; I184-Q187 HydrophobicContact CD1-CB 4.37Å; I184-Q187 VanDerWaalsContact CD1-OE1 3.28Å; I184-Q187 PolarHBondContact O-N 3.36Å; I184-M188 HydrophobicContact CD1-CE 3.94Å; I184-M188 WeakPolarHBondContact O-CG 3.27Å; I184-M188 PolarHBondContact O-N 2.95Å |
| 185 | A | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.3 | -42.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A153 P181 L182 M188 G189 H190 V193 V194 | A153-A185 HydrophobicContact CB-CB 4.29Å; P181-A185 PolarHBondContact O-N 3.5Å; P181-A185 VanDerWaalsContact O-N 3.1Å; L182-A185 PolarHBondContact O-N 3.2Å; A185-M188 PolarHBondContact O-N 3.5Å; A185-G189 PolarHBondContact O-N 3.33Å; A185-H190 PolarHBondContact O-N 3.19Å; A185-V193 HydrophobicContact CB-CB 4.35Å; A185-V193 HydrophobicContact CB-CG1 3.67Å; A185-V194 HydrophobicContact CB-CG2 3.89Å |
| 186 | S | 96.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.3 | -35.9 | 174.8 | -61.5 | 0 | 0 | 0 | 0 | 113.2 | L182 W183 I184 M188 G189 V194 Y223 | L182-S186 PolarHBondContact O-N 3.4Å; L182-S186 PolarHBondContact O-OG 3.3Å; W183-S186 PolarHBondContact O-N 3.23Å; I184-S186 VanDerWaalsContact C-N 3.32Å; I184-S186 PolarHBondContact O-N 2.91Å; S186-M188 VanDerWaalsContact C-N 3.27Å; S186-M188 PolarHBondContact O-N 3.31Å; S186-G189 PolarHBondContact O-N 3.4Å; S186-V194 WeakPolarHBondContact OG-CG2 3.38Å; S186-Y223 WeakPolarHBondContact O-CD2 3.45Å |
| 187 | Q | 95.8 | Very high | 96.6 | Very high | 49 Ų | 49 | 24.6 Ų | 24.6 | 23% | 0.229 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.4 | -32.3 | 173.3 | 176.8 | 178.9 | 8.8 | 0 | 0 | 112.6 | W183 I184 K217 Y223 | W183-Q187 HydrophobicContact CE3-CB 4.32Å; W183-Q187 HydrophobicContact CZ3-CB 4.15Å; W183-Q187 PolarHBondContact O-N 3.11Å; I184-Q187 HydrophobicContact CD1-CB 4.37Å; I184-Q187 VanDerWaalsContact CD1-OE1 3.28Å; I184-Q187 PolarHBondContact O-N 3.36Å; Q187-K217 HydrophobicContact CB-CG 3.87Å; Q187-K217 HydrophobicContact CG-CG 4.16Å; Q187-Y223 VanDerWaalsContact O-CE2 3.29Å; Q187-Y223 WeakPolarHBondContact O-CE2 3.48Å |
| 188 | M | 97.4 | Very high | 96.7 | Very high | 74 Ų | 74 | 23 Ų | 23 | 37% | 0.365 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -90.9 | -8.2 | -179.6 | -61.4 | -55.3 | -175.1 | 0 | 0 | 113 | Q154 I184 A185 S186 H190 | Q154-M188 HydrophobicContact CG-CE 3.82Å; Q154-M188 HydrophobicContact CG-CG 4.39Å; Q154-M188 WeakPolarHBondContact O-CG 3.41Å; I184-M188 HydrophobicContact CD1-CE 3.94Å; I184-M188 WeakPolarHBondContact O-CG 3.27Å; I184-M188 PolarHBondContact O-N 2.95Å; A185-M188 PolarHBondContact O-N 3.5Å; S186-M188 VanDerWaalsContact C-N 3.27Å; S186-M188 PolarHBondContact O-N 3.31Å; M188-H190 VanDerWaalsContact CB-CD2 3.5Å; M188-H190 WeakPolarHBondContact CB-CD2 3.47Å; M188-H190 WeakPolarHBondContact CB-NE2 3.41Å |
| 189 | G | 97 | Very high | 96.7 | Very high | 22 Ų | 22 | 27 Ų | 27 | 23% | 0.227 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | 17.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | A185 S186 S191 Y223 | A185-G189 PolarHBondContact O-N 3.33Å; S186-G189 PolarHBondContact O-N 3.4Å; G189-S191 PolarHBondContact O-N 3.49Å; G189-Y223 VanDerWaalsContact CA-CD2 3.41Å |
| 190 | H | 98.1 | Very high | 96.6 | Very high | 56 Ų | 56 | 32.4 Ų | 32.4 | 26% | 0.259 | 16% | 0.156 | S | C | . | . | trans | -83.4 | 79.2 | -174.8 | -58.9 | -46.4 | 0 | 0 | 0 | 111.7 | A153 Q154 G156 A185 M188 E192 V193 V194 | A153-H190 PolarHBondContact O-CD2 3.26Å; Q154-H190 PolarHBondContact O-NE2 3.27Å; Q154-H190 VanDerWaalsContact O-NE2 3.13Å; G156-H190 WeakPolarHBondContact CA-CD2 3.48Å; G156-H190 WeakPolarHBondContact CA-NE2 3.46Å; G156-H190 PolarHBondContact N-CD2 2.93Å; G156-H190 PolarHBondContact N-NE2 3.47Å; A185-H190 PolarHBondContact O-N 3.19Å; M188-H190 VanDerWaalsContact CB-CD2 3.5Å; M188-H190 WeakPolarHBondContact CB-CD2 3.47Å; M188-H190 WeakPolarHBondContact CB-NE2 3.41Å; H190-E192 PolarHBondContact O-N 3.44Å; H190-V193 HydrophobicContact CB-CB 3.86Å; H190-V193 HydrophobicContact CB-CG2 3.99Å; H190-V193 WeakPolarHBondContact O-CB 3.26Å; H190-V193 PolarHBondContact O-N 3.25Å; H190-V194 WeakPolarHBondContact O-CG2 3.32Å; H190-V194 PolarHBondContact O-N 3.06Å | ||
| 191 | S | 96.7 | Very high | 96.5 | Very high | 26 Ų | 26 | 34.4 Ų | 34.4 | 18% | 0.182 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -56.2 | -45.8 | -175.6 | 53.5 | 0 | 0 | 0 | 0 | 113.9 | G189 V193 V194 R195 | G189-S191 PolarHBondContact O-N 3.49Å; S191-V193 VanDerWaalsContact C-N 3.31Å; S191-V193 PolarHBondContact O-N 3.44Å; S191-V194 WeakPolarHBondContact O-CB 3.42Å; S191-V194 PolarHBondContact O-N 3.36Å; S191-R195 WeakPolarHBondContact O-CB 3.38Å; S191-R195 PolarHBondContact O-N 3.1Å |
| 192 | E | 97.3 | Very high | 96.3 | Very high | 96 Ų | 96 | 34.9 Ų | 34.9 | 45% | 0.449 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -63.1 | -37.1 | 178.1 | -73.3 | -58.5 | 127.6 | 0 | 0 | 112.8 | L158 H190 R195 V196 | L158-E192 HydrophobicContact CD2-CB 4.26Å; H190-E192 PolarHBondContact O-N 3.44Å; E192-R195 PolarHBondContact O-N 3.09Å; E192-V196 WeakPolarHBondContact O-CG2 3.43Å; E192-V196 PolarHBondContact O-N 3.24Å |
| 193 | V | 98 | Very high | 96.1 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.018 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.5 | -47 | 174.4 | 169.5 | 0 | 0 | 0 | 0 | 110.4 | A153 L158 I161 A185 H190 S191 R195 V196 M197 | A153-V193 HydrophobicContact CB-CG1 4.49Å; L158-V193 HydrophobicContact CD1-CG2 4.16Å; I161-V193 HydrophobicContact CD1-CB 4.09Å; I161-V193 HydrophobicContact CD1-CG1 3.34Å; I161-V193 HydrophobicContact CD1-CG2 3.61Å; A185-V193 HydrophobicContact CB-CB 4.35Å; A185-V193 HydrophobicContact CB-CG1 3.67Å; H190-V193 HydrophobicContact CB-CB 3.86Å; H190-V193 HydrophobicContact CB-CG2 3.99Å; H190-V193 WeakPolarHBondContact O-CB 3.26Å; H190-V193 PolarHBondContact O-N 3.25Å; S191-V193 VanDerWaalsContact C-N 3.31Å; S191-V193 PolarHBondContact O-N 3.44Å; V193-R195 VanDerWaalsContact C-N 3.32Å; V193-R195 PolarHBondContact O-N 3Å; V193-V196 PolarHBondContact O-N 3.16Å; V193-M197 HydrophobicContact CG1-CE 3.93Å; V193-M197 HydrophobicContact CG1-CG 4.26Å; V193-M197 HydrophobicContact CG1-SD 4.06Å; V193-M197 WeakPolarHBondContact O-CB 3.4Å; V193-M197 WeakPolarHBondContact O-CG 3.5Å; V193-M197 PolarHBondContact O-N 2.6Å |
| 194 | V | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -55.8 | -49.1 | 176.5 | 166.3 | 0 | 0 | 0 | 0 | 110.3 | L182 A185 S186 H190 S191 V196 M197 L198 V226 E229 L230 | L182-V194 HydrophobicContact CD1-CB 4.26Å; L182-V194 HydrophobicContact CD1-CG1 3.99Å; L182-V194 HydrophobicContact CD1-CG2 4.29Å; A185-V194 HydrophobicContact CB-CG2 3.89Å; S186-V194 WeakPolarHBondContact OG-CG2 3.38Å; H190-V194 WeakPolarHBondContact O-CG2 3.32Å; H190-V194 PolarHBondContact O-N 3.06Å; S191-V194 WeakPolarHBondContact O-CB 3.42Å; S191-V194 PolarHBondContact O-N 3.36Å; V194-V196 PolarHBondContact O-N 3.31Å; V194-M197 PolarHBondContact O-N 3.19Å; V194-L198 HydrophobicContact CG1-CD1 3.84Å; V194-L198 VanDerWaalsContact O-CG 3.27Å; V194-L198 WeakPolarHBondContact O-CG 3.23Å; V194-L198 PolarHBondContact O-N 2.58Å; V194-V226 HydrophobicContact CG1-CG1 4.4Å; V194-V226 HydrophobicContact CG2-CG1 4.1Å; V194-E229 HydrophobicContact CG1-CB 4.27Å; V194-L230 HydrophobicContact CG1-CD2 3.92Å; V194-L230 HydrophobicContact CG1-CG 3.99Å |
| 195 | R | 96.1 | Very high | 95.2 | Very high | 95 Ų | 95 | 44.9 Ų | 44.9 | 36% | 0.358 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -56 | -50.5 | 176.9 | -177.7 | 177.3 | -177.9 | -82.4 | -6.7 | 112.2 | S191 E192 V193 L198 L199 E229 | S191-R195 WeakPolarHBondContact O-CB 3.38Å; S191-R195 PolarHBondContact O-N 3.1Å; E192-R195 PolarHBondContact O-N 3.09Å; V193-R195 VanDerWaalsContact C-N 3.32Å; V193-R195 PolarHBondContact O-N 3Å; R195-L198 PolarHBondContact O-N 3.42Å; R195-L199 HydrophobicContact CG-CD1 4.32Å; R195-L199 WeakPolarHBondContact O-CG 3.44Å; R195-L199 PolarHBondContact O-N 2.81Å; R195-E229 HydrophobicContact CB-CG 4.16Å; R195-E229 WeakPolarHBondContact CB-OE2 3.47Å; R195-E229 WeakPolarHBondContact CD-OE2 3.36Å; R195-E229 VanDerWaalsContact CG-OE2 3.24Å; R195-E229 WeakPolarHBondContact CG-OE2 3.16Å; R195-E229 IonicContact NE-OE2 3.45Å |
| 196 | V | 96.6 | Very high | 94.7 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.018 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65 | -40.5 | -179.9 | 168.3 | 0 | 0 | 0 | 0 | 112 | L158 R162 L165 E192 V193 V194 L199 R200 | L158-V196 HydrophobicContact CD1-CB 4.06Å; L158-V196 HydrophobicContact CD1-CG2 3.72Å; R162-V196 HydrophobicContact CG-CG1 4.34Å; R162-V196 VanDerWaalsContact NH2-CG2 3.29Å; L165-V196 HydrophobicContact CD1-CG1 4.49Å; E192-V196 WeakPolarHBondContact O-CG2 3.43Å; E192-V196 PolarHBondContact O-N 3.24Å; V193-V196 PolarHBondContact O-N 3.16Å; V194-V196 PolarHBondContact O-N 3.31Å; V196-L199 PolarHBondContact O-N 3.13Å; V196-R200 HydrophobicContact CG1-CG 4.42Å; V196-R200 WeakPolarHBondContact O-CB 3.31Å; V196-R200 VanDerWaalsContact O-CG 3.23Å; V196-R200 WeakPolarHBondContact O-CG 3.46Å; V196-R200 PolarHBondContact O-N 3.42Å |
| 197 | M | 95.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.5 | -44.9 | 177.3 | -76.1 | -168.5 | 170.8 | 0 | 0 | 111.5 | L149 A153 I161 P181 L182 V193 V194 L199 R200 G201 A202 | L149-M197 HydrophobicContact CD1-CE 3.97Å; L149-M197 HydrophobicContact CG-CE 4.04Å; A153-M197 HydrophobicContact CB-CE 3.37Å; A153-M197 HydrophobicContact CB-SD 4.36Å; I161-M197 HydrophobicContact CD1-CE 4.11Å; I161-M197 HydrophobicContact CG1-CE 4.4Å; I161-M197 HydrophobicContact CG2-CE 4.08Å; I161-M197 HydrophobicContact CG2-CG 4.48Å; P181-M197 HydrophobicContact CB-CE 3.83Å; P181-M197 HydrophobicContact CB-SD 4.05Å; L182-M197 HydrophobicContact CB-SD 4.46Å; L182-M197 HydrophobicContact CD1-CB 3.81Å; L182-M197 HydrophobicContact CD1-SD 4.5Å; V193-M197 HydrophobicContact CG1-CE 3.93Å; V193-M197 HydrophobicContact CG1-CG 4.26Å; V193-M197 HydrophobicContact CG1-SD 4.06Å; V193-M197 WeakPolarHBondContact O-CB 3.4Å; V193-M197 WeakPolarHBondContact O-CG 3.5Å; V193-M197 PolarHBondContact O-N 2.6Å; V194-M197 PolarHBondContact O-N 3.19Å; M197-L199 PolarHBondContact O-N 3.46Å; M197-R200 CarbonylContact O-C 3.56Å; M197-R200 WeakPolarHBondContact O-CA 3.44Å; M197-R200 PolarHBondContact O-N 3.34Å; M197-G201 PolarHBondContact O-N 3Å; M197-A202 VanDerWaalsContact C-CB 3.4Å; M197-A202 HydrophobicContact CB-CB 3.83Å; M197-A202 WeakPolarHBondContact O-CB 3.42Å; M197-A202 PolarHBondContact O-N 3.34Å |
| 198 | L | 94.8 | Very high | 94.1 | Very high | 12 Ų | 12 | 48.4 Ų | 48.4 | 6% | 0.063 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.5 | -45.2 | 175.7 | -69 | 166.9 | 0 | 0 | 0 | 111.8 | L182 V194 R195 R200 G201 R204 L230 F233 | L182-L198 HydrophobicContact CD1-CD2 4.3Å; L182-L198 HydrophobicContact CD1-CG 4.07Å; L182-L198 HydrophobicContact CD2-CD2 3.83Å; L182-L198 HydrophobicContact CD2-CG 4.49Å; V194-L198 HydrophobicContact CG1-CD1 3.84Å; V194-L198 VanDerWaalsContact O-CG 3.27Å; V194-L198 WeakPolarHBondContact O-CG 3.23Å; V194-L198 PolarHBondContact O-N 2.58Å; R195-L198 PolarHBondContact O-N 3.42Å; L198-R200 PolarHBondContact O-N 2.67Å; L198-R200 VanDerWaalsContact O-N 3.14Å; L198-G201 PolarHBondContact O-N 3.23Å; L198-R204 HydrophobicContact CD2-CB 3.75Å; L198-R204 HydrophobicContact CD2-CG 4.08Å; L198-L230 HydrophobicContact CD1-CD2 4.11Å; L198-F233 HydrophobicContact CB-CD1 3.85Å; L198-F233 HydrophobicContact CB-CD2 3.9Å; L198-F233 HydrophobicContact CB-CE1 3.75Å; L198-F233 HydrophobicContact CB-CE2 3.79Å; L198-F233 HydrophobicContact CB-CG 3.93Å; L198-F233 HydrophobicContact CB-CZ 3.72Å; L198-F233 HydrophobicContact CD1-CB 4.37Å; L198-F233 HydrophobicContact CD1-CD2 3.52Å; L198-F233 HydrophobicContact CD1-CE2 3.92Å; L198-F233 HydrophobicContact CD1-CG 3.97Å; L198-F233 HydrophobicContact CD2-CG 4.49Å; L198-F233 HydrophobicContact CG-CD2 4.26Å; L198-F233 HydrophobicContact CG-CG 4.35Å |
| 199 | L | 95.1 | Very high | 93.8 | Very high | 99 Ų | 99 | 49.7 Ų | 49.7 | 52% | 0.518 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.2 | -23.2 | 173.8 | -72.1 | 172.9 | 0 | 0 | 0 | 113.4 | R195 V196 M197 F233 | R195-L199 HydrophobicContact CG-CD1 4.32Å; R195-L199 WeakPolarHBondContact O-CG 3.44Å; R195-L199 PolarHBondContact O-N 2.81Å; V196-L199 PolarHBondContact O-N 3.13Å; M197-L199 PolarHBondContact O-N 3.46Å; L199-F233 HydrophobicContact CD2-CE1 4.04Å; L199-F233 HydrophobicContact CD2-CZ 3.69Å; L199-F233 HydrophobicContact CG-CE1 4.41Å; L199-F233 HydrophobicContact CG-CZ 3.84Å |
| 200 | R | 95.1 | Very high | 93.3 | Very high | 115 Ų | 115 | 52.4 Ų | 52.4 | 43% | 0.434 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | 16.8 | 179.4 | -65.7 | -67.1 | -168.1 | 98.9 | 1 | 113 | L165 V196 M197 L198 | L165-R200 HydrophobicContact CD1-CB 3.98Å; L165-R200 HydrophobicContact CD1-CG 3.9Å; V196-R200 HydrophobicContact CG1-CG 4.42Å; V196-R200 WeakPolarHBondContact O-CB 3.31Å; V196-R200 VanDerWaalsContact O-CG 3.23Å; V196-R200 WeakPolarHBondContact O-CG 3.46Å; V196-R200 PolarHBondContact O-N 3.42Å; M197-R200 CarbonylContact O-C 3.56Å; M197-R200 WeakPolarHBondContact O-CA 3.44Å; M197-R200 PolarHBondContact O-N 3.34Å; L198-R200 PolarHBondContact O-N 2.67Å; L198-R200 VanDerWaalsContact O-N 3.14Å |
| 201 | G | 92.8 | Very high | 92.7 | Very high | 48 Ų | 48 | 50.1 Ų | 50.1 | 50% | 0.495 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | 21.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | N172 M197 L198 E203 | N172-G201 PolarHBondContact ND2-O 2.69Å; M197-G201 PolarHBondContact O-N 3Å; L198-G201 PolarHBondContact O-N 3.23Å; G201-E203 PolarHBondContact O-N 3.3Å |
| 202 | A | 94.2 | Very high | 92.3 | Very high | 11 Ų | 11 | 50 Ų | 50 | 9% | 0.091 | 26% | 0.264 | C | S | . | . | trans | -62.9 | 135.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V171 N172 L182 M197 R204 | V171-A202 HydrophobicContact CG2-CB 3.77Å; N172-A202 WeakPolarHBondContact OD1-CA 3.45Å; L182-A202 HydrophobicContact CB-CB 4.23Å; L182-A202 HydrophobicContact CD1-CB 4.2Å; L182-A202 HydrophobicContact CD2-CB 4.13Å; L182-A202 HydrophobicContact CG-CB 4.43Å; M197-A202 VanDerWaalsContact C-CB 3.4Å; M197-A202 HydrophobicContact CB-CB 3.83Å; M197-A202 WeakPolarHBondContact O-CB 3.42Å; M197-A202 PolarHBondContact O-N 3.34Å; A202-R204 PolarHBondContact O-N 3.08Å | ||
| 203 | E | 91.7 | Very high | 92 | Very high | 116 Ų | 116 | 46 Ų | 46 | 54% | 0.542 | 25% | 0.246 | S | C | . | . | trans | -71.3 | 99.2 | 175 | -78.7 | 163.6 | -137.5 | 0 | 0 | 110.2 | N172 G201 D205 A206 | N172-E203 WeakPolarHBondContact ND2-CG 3.39Å; N172-E203 PolarHBondContact ND2-OE1 3.21Å; N172-E203 PolarHBondContact OD1-N 3.44Å; G201-E203 PolarHBondContact O-N 3.3Å; E203-D205 VanDerWaalsContact C-N 3.28Å; E203-D205 PolarHBondContact O-N 3.38Å; E203-A206 HydrophobicContact CB-CB 3.85Å; E203-A206 WeakPolarHBondContact O-CB 3.42Å; E203-A206 PolarHBondContact O-N 3.47Å | ||
| 204 | R | 88.1 | Confident | 91.7 | Very high | 45 Ų | 45 | 45.9 Ų | 45.9 | 17% | 0.17 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -44.4 | -179.4 | -173.3 | -158.4 | 60.2 | -105.8 | 7.3 | 113.3 | L198 A202 L230 F233 S234 T236 | L198-R204 HydrophobicContact CD2-CB 3.75Å; L198-R204 HydrophobicContact CD2-CG 4.08Å; A202-R204 PolarHBondContact O-N 3.08Å; R204-L230 VanDerWaalsContact CD-O 3.32Å; R204-L230 WeakPolarHBondContact CD-O 3.29Å; R204-L230 HydrophobicContact CG-CD2 3.79Å; R204-F233 PolarHBondContact NH1-O 3.44Å; R204-S234 PolarHBondContact NH2-OG 2.86Å; R204-S234 VanDerWaalsContact NH2-OG 3.07Å; R204-T236 PolarHBondContact NH2-OG1 3.24Å |
| 205 | D | 86.9 | Confident | 91.4 | Very high | 72 Ų | 72 | 46.3 Ų | 46.3 | 39% | 0.385 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 10 | -174.2 | -56.2 | -37.5 | 0 | 0 | 0 | 113.5 | E203 A207 | E203-D205 VanDerWaalsContact C-N 3.28Å; E203-D205 PolarHBondContact O-N 3.38Å; D205-A207 PolarHBondContact O-N 2.88Å; D205-A207 VanDerWaalsContact O-N 3.09Å |
| 206 | A | 87.9 | Confident | 91.1 | Very high | 25 Ų | 25 | 42 Ų | 42 | 21% | 0.207 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -54.4 | 122.4 | 175 | 0 | 0 | 0 | 0 | 0 | 109.6 | A180 E203 | A180-A206 HydrophobicContact CB-CB 4.33Å; E203-A206 HydrophobicContact CB-CB 3.85Å; E203-A206 WeakPolarHBondContact O-CB 3.42Å; E203-A206 PolarHBondContact O-N 3.47Å |
| 207 | A | 87.9 | Confident | 90.8 | Very high | 52 Ų | 52 | 44.2 Ų | 44.2 | 43% | 0.43 | 24% | 0.241 | S | C | . | . | P | Polyproline II helix | trans | -101.1 | 140.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | D205 T213 | D205-A207 PolarHBondContact O-N 2.88Å; D205-A207 VanDerWaalsContact O-N 3.09Å; A207-T213 HydrophobicContact CB-CG2 4.23Å |
| 208 | R | 91.4 | Very high | 90.7 | Very high | 46 Ų | 46 | 44.2 Ų | 44.2 | 17% | 0.174 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -60.9 | 170.9 | 165.4 | -82.4 | 177.1 | 56.3 | 92.5 | 16.1 | 111.4 | D177 T179 W183 D210 G211 T212 | D177-R208 IonicContact OD1-NH1 3.12Å; D177-R208 IonicContact OD2-CZ 3.87Å; D177-R208 VanDerWaalsContact OD2-CZ 3.25Å; D177-R208 IonicContact OD2-NH1 2.69Å; D177-R208 PolarHBondContact OD2-NH1 3.32Å; D177-R208 IonicContact OD2-NH2 3.81Å; D177-R208 PolarHBondContact OD2-NH2 3.37Å; T179-R208 PolarHBondContact OG1-NH1 3.01Å; W183-R208 HydrophobicContact CD2-CG 4.23Å; W183-R208 HydrophobicContact CG-CG 4.39Å; W183-R208 HydrophobicContact CZ2-CG 4.43Å; R208-D210 WeakPolarHBondContact CB-OD1 3.32Å; R208-D210 IonicContact CZ-OD2 3.82Å; R208-D210 IonicContact NE-OD2 3.53Å; R208-D210 PolarHBondContact NE-OD2 3.1Å; R208-D210 VanDerWaalsContact NE-OD2 3.12Å; R208-D210 IonicContact NH2-OD2 3.34Å; R208-D210 PolarHBondContact O-N 2.92Å; R208-D210 VanDerWaalsContact O-N 3.13Å; R208-G211 WeakPolarHBondContact O-CA 3.46Å; R208-G211 PolarHBondContact O-N 3.41Å; R208-T212 PolarHBondContact N-O 3.22Å |
| 209 | N | 90.6 | Very high | 90.5 | Very high | 101 Ų | 101 | 43.6 Ų | 43.6 | 54% | 0.54 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -32.6 | 176.3 | -67.9 | -5.7 | 0 | 0 | 0 | 112.9 | Q176 D177 G211 K241 | Q176-N209 PolarHBondContact O-ND2 3.38Å; D177-N209 VanDerWaalsContact C-CG 3.4Å; D177-N209 WeakPolarHBondContact CA-ND2 3.45Å; D177-N209 WeakPolarHBondContact O-CB 3.21Å; D177-N209 PolarHBondContact O-N 3.04Å; D177-N209 PolarHBondContact O-ND2 2.74Å; D177-N209 PolarHBondContact O-OD1 3.12Å; N209-G211 PolarHBondContact O-N 3.07Å; N209-K241 PolarHBondContact O-NZ 3.49Å |
| 210 | D | 86.8 | Confident | 90.2 | Very high | 80 Ų | 80 | 43 Ų | 43 | 43% | 0.428 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -6.9 | 174.9 | 59.4 | 35.4 | 0 | 0 | 0 | 114.4 | R208 T212 | R208-D210 WeakPolarHBondContact CB-OD1 3.32Å; R208-D210 IonicContact CZ-OD2 3.82Å; R208-D210 IonicContact NE-OD2 3.53Å; R208-D210 PolarHBondContact NE-OD2 3.1Å; R208-D210 VanDerWaalsContact NE-OD2 3.12Å; R208-D210 IonicContact NH2-OD2 3.34Å; R208-D210 PolarHBondContact O-N 2.92Å; R208-D210 VanDerWaalsContact O-N 3.13Å; D210-T212 WeakPolarHBondContact OD1-CA 3.47Å; D210-T212 WeakPolarHBondContact OD1-CB 3.39Å; D210-T212 PolarHBondContact OD1-N 3.15Å; D210-T212 PolarHBondContact OD1-OG1 3.37Å |
| 211 | G | 86 | Confident | 90 | Very high | 7 Ų | 7 | 42.7 Ų | 42.7 | 7% | 0.072 | 24% | 0.237 | C | C | . | . | S | Bend | trans | 90.4 | -0.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | R208 N209 L240 | R208-G211 WeakPolarHBondContact O-CA 3.46Å; R208-G211 PolarHBondContact O-N 3.41Å; N209-G211 PolarHBondContact O-N 3.07Å; G211-L240 WeakPolarHBondContact O-CD2 3.27Å |
| 212 | T | 88.5 | Confident | 90 | Very high | 25 Ų | 25 | 40.9 Ų | 40.9 | 15% | 0.153 | 22% | 0.218 | C | C | . | . | trans | -75 | 124.8 | -179.1 | -48.6 | 0 | 0 | 0 | 0 | 111.7 | W183 R208 D210 L216 K217 L240 | W183-T212 HydrophobicContact CZ2-CG2 4.17Å; W183-T212 PolarHBondContact NE1-O 3.32Å; W183-T212 VanDerWaalsContact NE1-O 3.1Å; R208-T212 PolarHBondContact N-O 3.22Å; D210-T212 WeakPolarHBondContact OD1-CA 3.47Å; D210-T212 WeakPolarHBondContact OD1-CB 3.39Å; D210-T212 PolarHBondContact OD1-N 3.15Å; D210-T212 PolarHBondContact OD1-OG1 3.37Å; T212-L216 HydrophobicContact CG2-CB 4.11Å; T212-K217 HydrophobicContact CG2-CB 4.33Å; T212-L240 HydrophobicContact CG2-CD2 4.27Å | ||
| 213 | T | 91 | Very high | 90 | Very high | 10 Ų | 10 | 44.3 Ų | 44.3 | 6% | 0.061 | 23% | 0.229 | C | C | . | . | trans | -91.8 | 167 | 172.7 | 71.2 | 0 | 0 | 0 | 0 | 112 | W183 A207 L215 L216 K217 | W183-T213 VanDerWaalsContact CD1-C 3.43Å; W183-T213 PolarHBondContact NE1-O 2.98Å; A207-T213 HydrophobicContact CB-CG2 4.23Å; T213-L215 VanDerWaalsContact C-N 3.3Å; T213-L215 PolarHBondContact O-N 3.04Å; T213-L216 HydrophobicContact CG2-CD1 4.24Å; T213-L216 PolarHBondContact O-N 3.13Å; T213-L216 WeakPolarHBondContact OG1-CD1 3.5Å; T213-L216 PolarHBondContact OG1-N 2.76Å; T213-K217 PolarHBondContact O-N 3.4Å; T213-K217 VanDerWaalsContact O-N 3.16Å | ||
| 214 | A | 91.8 | Very high | 90.1 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 2% | 0.017 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.5 | -42.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | K217 A218 L230 | A214-K217 PolarHBondContact O-N 2.92Å; A214-A218 WeakPolarHBondContact O-CB 3.36Å; A214-A218 PolarHBondContact O-N 3.43Å; A214-L230 HydrophobicContact CB-CD1 4.22Å; A214-L230 HydrophobicContact CB-CD2 4.32Å |
| 215 | L | 90.9 | Very high | 90.4 | Very high | 9 Ų | 9 | 43 Ų | 43 | 5% | 0.047 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.6 | -47.1 | 179.1 | -178.3 | 68.6 | 0 | 0 | 0 | 112.2 | T213 K217 A218 A219 I227 L230 L231 L237 A246 | T213-L215 VanDerWaalsContact C-N 3.3Å; T213-L215 PolarHBondContact O-N 3.04Å; L215-K217 VanDerWaalsContact C-N 3.26Å; L215-K217 PolarHBondContact O-N 3.2Å; L215-A218 PolarHBondContact O-N 2.99Å; L215-A219 WeakPolarHBondContact O-CB 3.4Å; L215-A219 PolarHBondContact O-N 3.27Å; L215-I227 HydrophobicContact CD1-CB 4.42Å; L215-I227 HydrophobicContact CD1-CG1 4.27Å; L215-I227 HydrophobicContact CD1-CG2 4Å; L215-L230 HydrophobicContact CB-CD1 4.14Å; L215-L230 HydrophobicContact CD1-CB 4.24Å; L215-L230 HydrophobicContact CD1-CD1 4.2Å; L215-L231 HydrophobicContact CD1-CD2 4.49Å; L215-L237 HydrophobicContact CD2-CD2 3.86Å; L215-A246 HydrophobicContact CD2-CB 4.28Å; L215-A246 HydrophobicContact CG-CB 4.29Å |
| 216 | L | 88.9 | Confident | 90.8 | Very high | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.4 | -40.2 | 178 | -77.5 | 158.1 | 0 | 0 | 0 | 111.5 | T212 T213 N220 L240 S245 A246 | T212-L216 HydrophobicContact CG2-CB 4.11Å; T213-L216 HydrophobicContact CG2-CD1 4.24Å; T213-L216 PolarHBondContact O-N 3.13Å; T213-L216 WeakPolarHBondContact OG1-CD1 3.5Å; T213-L216 PolarHBondContact OG1-N 2.76Å; L216-N220 WeakPolarHBondContact O-CB 3.47Å; L216-N220 PolarHBondContact O-N 3.41Å; L216-N220 VanDerWaalsContact O-N 3.09Å; L216-L240 HydrophobicContact CD1-CB 4.44Å; L216-L240 HydrophobicContact CD1-CD1 4.4Å; L216-L240 HydrophobicContact CD1-CD2 3.55Å; L216-L240 HydrophobicContact CD1-CG 3.47Å; L216-L240 VanDerWaalsContact CD1-CG 3.47Å; L216-L240 HydrophobicContact CD2-CD1 4.16Å; L216-L240 HydrophobicContact CD2-CG 3.95Å; L216-L240 HydrophobicContact CG-CG 4.26Å; L216-S245 VanDerWaalsContact CD2-C 3.42Å; L216-A246 HydrophobicContact CD2-CB 4.21Å; L216-A246 VanDerWaalsContact CD2-N 3.27Å |
| 217 | K | 91.4 | Very high | 90.9 | Very high | 49 Ų | 49 | 38.4 Ų | 38.4 | 21% | 0.213 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -70.1 | -42.6 | 178.7 | -164.5 | 61.8 | 168.5 | -172.5 | 0 | 112.2 | W183 Q187 T212 T213 A214 L215 N220 K221 | W183-K217 HydrophobicContact CH2-CD 4.13Å; W183-K217 HydrophobicContact CH2-CG 4.13Å; W183-K217 HydrophobicContact CZ2-CB 4.09Å; W183-K217 HydrophobicContact CZ2-CD 3.76Å; W183-K217 HydrophobicContact CZ2-CG 3.71Å; Q187-K217 HydrophobicContact CB-CG 3.87Å; Q187-K217 HydrophobicContact CG-CG 4.16Å; T212-K217 HydrophobicContact CG2-CB 4.33Å; T213-K217 PolarHBondContact O-N 3.4Å; T213-K217 VanDerWaalsContact O-N 3.16Å; A214-K217 PolarHBondContact O-N 2.92Å; L215-K217 VanDerWaalsContact C-N 3.26Å; L215-K217 PolarHBondContact O-N 3.2Å; K217-N220 PolarHBondContact O-N 3.01Å; K217-K221 PolarHBondContact O-N 3.4Å; K217-K221 VanDerWaalsContact O-N 3.11Å |
| 218 | A | 92.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.5 | -41.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A214 L215 K221 G222 Y223 V226 I227 | A214-A218 WeakPolarHBondContact O-CB 3.36Å; A214-A218 PolarHBondContact O-N 3.43Å; L215-A218 PolarHBondContact O-N 2.99Å; A218-K221 CarbonylContact O-C 3.59Å; A218-K221 PolarHBondContact O-N 3.1Å; A218-G222 PolarHBondContact O-N 3.38Å; A218-Y223 PolarHBondContact O-N 2.67Å; A218-V226 HydrophobicContact CB-CB 4.19Å; A218-V226 HydrophobicContact CB-CG1 3.68Å; A218-I227 HydrophobicContact CB-CG1 3.86Å |
| 219 | A | 90.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.4 | -45.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L215 K221 G222 I227 A246 A250 L262 | L215-A219 WeakPolarHBondContact O-CB 3.4Å; L215-A219 PolarHBondContact O-N 3.27Å; A219-K221 VanDerWaalsContact C-N 3.29Å; A219-K221 PolarHBondContact O-N 2.79Å; A219-G222 PolarHBondContact O-N 3.12Å; A219-I227 HydrophobicContact CB-CD1 4.3Å; A219-A246 HydrophobicContact CB-CB 4.18Å; A219-A250 HydrophobicContact CB-CB 4.38Å; A219-L262 HydrophobicContact CB-CD1 4.11Å |
| 220 | N | 89.7 | Confident | 91.2 | Very high | 85 Ų | 85 | 33.8 Ų | 33.8 | 46% | 0.455 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61.9 | -37 | 175.5 | -169.2 | -7.2 | 0 | 0 | 0 | 112 | L216 K217 A249 S253 | L216-N220 WeakPolarHBondContact O-CB 3.47Å; L216-N220 PolarHBondContact O-N 3.41Å; L216-N220 VanDerWaalsContact O-N 3.09Å; K217-N220 PolarHBondContact O-N 3.01Å; N220-A249 HydrophobicContact CB-CB 4.12Å; N220-S253 WeakPolarHBondContact O-CB 3.42Å |
| 221 | K | 91.4 | Very high | 91.2 | Very high | 110 Ų | 110 | 31.4 Ų | 31.4 | 48% | 0.478 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -83 | -15.1 | 179.6 | -73.8 | -70.3 | -173.1 | 175.3 | 0 | 114.4 | K217 A218 A219 Y223 | K217-K221 PolarHBondContact O-N 3.4Å; K217-K221 VanDerWaalsContact O-N 3.11Å; A218-K221 CarbonylContact O-C 3.59Å; A218-K221 PolarHBondContact O-N 3.1Å; A219-K221 VanDerWaalsContact C-N 3.29Å; A219-K221 PolarHBondContact O-N 2.79Å; K221-Y223 HydrophobicContact CB-CD2 3.65Å; K221-Y223 HydrophobicContact CB-CE1 4.46Å; K221-Y223 HydrophobicContact CB-CE2 3.47Å; K221-Y223 VanDerWaalsContact CB-CE2 3.47Å; K221-Y223 HydrophobicContact CB-CG 4.24Å; K221-Y223 HydrophobicContact CG-CE2 3.99Å |
| 222 | G | 92.1 | Very high | 91.3 | Very high | 9 Ų | 9 | 37.7 Ų | 37.7 | 9% | 0.093 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | 15.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | A218 A219 N224 N255 | A218-G222 PolarHBondContact O-N 3.38Å; A219-G222 PolarHBondContact O-N 3.12Å; G222-N224 PolarHBondContact O-N 2.86Å; G222-N224 PolarHBondContact O-ND2 3.41Å; G222-N255 VanDerWaalsContact CA-ND2 3.26Å; G222-N255 WeakPolarHBondContact CA-ND2 3.08Å |
| 223 | Y | 94.6 | Very high | 90.9 | Very high | 83 Ų | 83 | 40.3 Ų | 40.3 | 33% | 0.325 | 19% | 0.192 | S | C | . | . | trans | -82.5 | 85.4 | -175.3 | -59.5 | -41.5 | 0 | 0 | 0 | 111.8 | S186 Q187 G189 A218 K221 D225 V226 I227 | S186-Y223 WeakPolarHBondContact O-CD2 3.45Å; Q187-Y223 VanDerWaalsContact O-CE2 3.29Å; Q187-Y223 WeakPolarHBondContact O-CE2 3.48Å; G189-Y223 VanDerWaalsContact CA-CD2 3.41Å; A218-Y223 PolarHBondContact O-N 2.67Å; K221-Y223 HydrophobicContact CB-CD2 3.65Å; K221-Y223 HydrophobicContact CB-CE1 4.46Å; K221-Y223 HydrophobicContact CB-CE2 3.47Å; K221-Y223 VanDerWaalsContact CB-CE2 3.47Å; K221-Y223 HydrophobicContact CB-CG 4.24Å; K221-Y223 HydrophobicContact CG-CE2 3.99Å; Y223-D225 PolarHBondContact O-N 3.01Å; Y223-V226 PolarHBondContact O-N 3.3Å; Y223-I227 WeakPolarHBondContact O-CD1 3.48Å; Y223-I227 VanDerWaalsContact O-CG1 3.29Å; Y223-I227 WeakPolarHBondContact O-CG1 3.47Å; Y223-I227 PolarHBondContact O-N 3.29Å; Y223-I227 VanDerWaalsContact O-N 3.07Å | ||
| 224 | N | 93 | Very high | 90.1 | Very high | 34 Ų | 34 | 41 Ų | 41 | 18% | 0.182 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -54.6 | -48.8 | -178.2 | -54.9 | -60.5 | 0 | 0 | 0 | 112 | G222 V226 I227 E228 K257 T258 L261 | G222-N224 PolarHBondContact O-N 2.86Å; G222-N224 PolarHBondContact O-ND2 3.41Å; N224-V226 VanDerWaalsContact C-N 3.3Å; N224-V226 PolarHBondContact O-N 3.45Å; N224-I227 CarbonylContact O-C 3.6Å; N224-I227 WeakPolarHBondContact O-CA 3.4Å; N224-I227 WeakPolarHBondContact O-CB 3.38Å; N224-I227 PolarHBondContact O-N 3.05Å; N224-E228 WeakPolarHBondContact O-CG 3.29Å; N224-E228 PolarHBondContact O-N 3.41Å; N224-K257 WeakPolarHBondContact OD1-CB 3.46Å; N224-T258 WeakPolarHBondContact OD1-CG2 3.19Å; N224-T258 PolarHBondContact OD1-N 2.84Å; N224-L261 HydrophobicContact CB-CD1 3.77Å |
| 225 | D | 94.9 | Very high | 88.8 | Confident | 100 Ų | 100 | 45.2 Ų | 45.2 | 54% | 0.535 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.7 | -38.3 | -176.7 | -50.2 | -16.1 | 0 | 0 | 0 | 112 | Y223 E229 | Y223-D225 PolarHBondContact O-N 3.01Å; D225-E229 WeakPolarHBondContact O-CG 3.45Å; D225-E229 PolarHBondContact O-N 3.14Å |
| 226 | V | 94.6 | Very high | 87.7 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.7 | -41.5 | 174.3 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | V194 A218 Y223 N224 E229 L230 | V194-V226 HydrophobicContact CG1-CG1 4.4Å; V194-V226 HydrophobicContact CG2-CG1 4.1Å; A218-V226 HydrophobicContact CB-CB 4.19Å; A218-V226 HydrophobicContact CB-CG1 3.68Å; Y223-V226 PolarHBondContact O-N 3.3Å; N224-V226 VanDerWaalsContact C-N 3.3Å; N224-V226 PolarHBondContact O-N 3.45Å; V226-E229 PolarHBondContact O-N 3.07Å; V226-L230 HydrophobicContact CG1-CD1 3.81Å; V226-L230 HydrophobicContact CG1-CG 4.35Å; V226-L230 WeakPolarHBondContact O-CB 3.39Å; V226-L230 VanDerWaalsContact O-CG 3.27Å; V226-L230 WeakPolarHBondContact O-CG 3.45Å; V226-L230 PolarHBondContact O-N 3.37Å |
| 227 | I | 91.5 | Very high | 86.9 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 178.1 | -67.3 | 161.3 | 0 | 0 | 0 | 109.8 | L215 A218 A219 Y223 N224 E229 L230 L231 T258 L262 | L215-I227 HydrophobicContact CD1-CB 4.42Å; L215-I227 HydrophobicContact CD1-CG1 4.27Å; L215-I227 HydrophobicContact CD1-CG2 4Å; A218-I227 HydrophobicContact CB-CG1 3.86Å; A219-I227 HydrophobicContact CB-CD1 4.3Å; Y223-I227 WeakPolarHBondContact O-CD1 3.48Å; Y223-I227 VanDerWaalsContact O-CG1 3.29Å; Y223-I227 WeakPolarHBondContact O-CG1 3.47Å; Y223-I227 PolarHBondContact O-N 3.29Å; Y223-I227 VanDerWaalsContact O-N 3.07Å; N224-I227 CarbonylContact O-C 3.6Å; N224-I227 WeakPolarHBondContact O-CA 3.4Å; N224-I227 WeakPolarHBondContact O-CB 3.38Å; N224-I227 PolarHBondContact O-N 3.05Å; I227-E229 PolarHBondContact O-N 3.44Å; I227-L230 PolarHBondContact O-N 3.35Å; I227-L231 HydrophobicContact CG2-CD1 3.59Å; I227-L231 HydrophobicContact CG2-CG 4.12Å; I227-L231 WeakPolarHBondContact O-CB 2.96Å; I227-L231 WeakPolarHBondContact O-CG 3.39Å; I227-L231 PolarHBondContact O-N 3.31Å; I227-T258 HydrophobicContact CD1-CG2 3.49Å; I227-T258 VanDerWaalsContact CD1-CG2 3.49Å; I227-L262 HydrophobicContact CG2-CD2 4.25Å |
| 228 | E | 91.7 | Very high | 85.6 | Confident | 81 Ų | 81 | 48.4 Ų | 48.4 | 38% | 0.379 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -58 | -46.6 | 176.2 | -72.2 | 179.4 | -165.1 | 0 | 0 | 111.6 | N224 L231 K232 L261 | N224-E228 WeakPolarHBondContact O-CG 3.29Å; N224-E228 PolarHBondContact O-N 3.41Å; E228-L231 PolarHBondContact O-N 3.16Å; E228-K232 VanDerWaalsContact O-CG 3.31Å; E228-K232 WeakPolarHBondContact O-CG 3.11Å; E228-K232 PolarHBondContact O-N 3.36Å; E228-K232 VanDerWaalsContact O-N 3.08Å; E228-L261 HydrophobicContact CG-CD1 4.12Å; E228-L261 HydrophobicContact CG-CD2 4.22Å |
| 229 | E | 92.4 | Very high | 84.4 | Confident | 19 Ų | 19 | 53.1 Ų | 53.1 | 9% | 0.089 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 175.7 | -72 | -56.5 | 138 | 0 | 0 | 112.3 | V194 R195 D225 V226 I227 L231 K232 F233 | V194-E229 HydrophobicContact CG1-CB 4.27Å; R195-E229 HydrophobicContact CB-CG 4.16Å; R195-E229 WeakPolarHBondContact CB-OE2 3.47Å; R195-E229 WeakPolarHBondContact CD-OE2 3.36Å; R195-E229 VanDerWaalsContact CG-OE2 3.24Å; R195-E229 WeakPolarHBondContact CG-OE2 3.16Å; R195-E229 IonicContact NE-OE2 3.45Å; D225-E229 WeakPolarHBondContact O-CG 3.45Å; D225-E229 PolarHBondContact O-N 3.14Å; V226-E229 PolarHBondContact O-N 3.07Å; I227-E229 PolarHBondContact O-N 3.44Å; E229-L231 PolarHBondContact O-N 3.09Å; E229-K232 PolarHBondContact O-N 2.87Å; E229-K232 IonicContact OE1-NZ 3.66Å; E229-K232 PolarHBondContact OE1-NZ 3.29Å; E229-F233 WeakPolarHBondContact O-CD2 3.39Å |
| 230 | L | 90.6 | Very high | 83 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 177.7 | -71.9 | 167 | 0 | 0 | 0 | 112.3 | L182 V194 L198 R204 A214 L215 V226 I227 F233 | L182-L230 HydrophobicContact CD2-CD2 4.32Å; V194-L230 HydrophobicContact CG1-CD2 3.92Å; V194-L230 HydrophobicContact CG1-CG 3.99Å; L198-L230 HydrophobicContact CD1-CD2 4.11Å; R204-L230 VanDerWaalsContact CD-O 3.32Å; R204-L230 WeakPolarHBondContact CD-O 3.29Å; R204-L230 HydrophobicContact CG-CD2 3.79Å; A214-L230 HydrophobicContact CB-CD1 4.22Å; A214-L230 HydrophobicContact CB-CD2 4.32Å; L215-L230 HydrophobicContact CB-CD1 4.14Å; L215-L230 HydrophobicContact CD1-CB 4.24Å; L215-L230 HydrophobicContact CD1-CD1 4.2Å; V226-L230 HydrophobicContact CG1-CD1 3.81Å; V226-L230 HydrophobicContact CG1-CG 4.35Å; V226-L230 WeakPolarHBondContact O-CB 3.39Å; V226-L230 VanDerWaalsContact O-CG 3.27Å; V226-L230 WeakPolarHBondContact O-CG 3.45Å; V226-L230 PolarHBondContact O-N 3.37Å; I227-L230 PolarHBondContact O-N 3.35Å; L230-F233 PolarHBondContact O-N 2.94Å |
| 231 | L | 87.6 | Confident | 81.6 | Confident | 30 Ų | 30 | 57 Ų | 57 | 16% | 0.157 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -70.2 | -30.3 | -178.8 | -70.2 | 173.8 | 0 | 0 | 0 | 112.8 | L215 I227 E228 E229 F233 S234 L237 A265 | L215-L231 HydrophobicContact CD1-CD2 4.49Å; I227-L231 HydrophobicContact CG2-CD1 3.59Å; I227-L231 HydrophobicContact CG2-CG 4.12Å; I227-L231 WeakPolarHBondContact O-CB 2.96Å; I227-L231 WeakPolarHBondContact O-CG 3.39Å; I227-L231 PolarHBondContact O-N 3.31Å; E228-L231 PolarHBondContact O-N 3.16Å; E229-L231 PolarHBondContact O-N 3.09Å; L231-F233 PolarHBondContact O-N 3.11Å; L231-S234 WeakPolarHBondContact CA-O 3.32Å; L231-S234 CarbonylContact O-C 3.58Å; L231-S234 PolarHBondContact O-N 3.45Å; L231-S234 VanDerWaalsContact O-O 3.12Å; L231-L237 HydrophobicContact CD2-CD2 3.81Å; L231-A265 HydrophobicContact CD1-CB 3.79Å; L231-A265 HydrophobicContact CD2-CB 3.96Å; L231-A265 HydrophobicContact CG-CB 4.48Å |
| 232 | K | 87.7 | Confident | 80 | Confident | 139 Ų | 139 | 55.5 Ų | 55.5 | 60% | 0.604 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -59.1 | -33.4 | 173.9 | -75 | 169.5 | -166.3 | 172.7 | 0 | 112.6 | E228 E229 | E228-K232 VanDerWaalsContact O-CG 3.31Å; E228-K232 WeakPolarHBondContact O-CG 3.11Å; E228-K232 PolarHBondContact O-N 3.36Å; E228-K232 VanDerWaalsContact O-N 3.08Å; E229-K232 PolarHBondContact O-N 2.87Å; E229-K232 IonicContact OE1-NZ 3.66Å; E229-K232 PolarHBondContact OE1-NZ 3.29Å |
| 233 | F | 80.4 | Confident | 78.8 | Confident | 80 Ų | 80 | 55.8 Ų | 55.8 | 35% | 0.351 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -88.1 | -12.9 | -178.9 | -74.2 | -99.2 | 0 | 0 | 0 | 113.3 | L198 L199 R204 E229 L230 L231 | L198-F233 HydrophobicContact CB-CD1 3.85Å; L198-F233 HydrophobicContact CB-CD2 3.9Å; L198-F233 HydrophobicContact CB-CE1 3.75Å; L198-F233 HydrophobicContact CB-CE2 3.79Å; L198-F233 HydrophobicContact CB-CG 3.93Å; L198-F233 HydrophobicContact CB-CZ 3.72Å; L198-F233 HydrophobicContact CD1-CB 4.37Å; L198-F233 HydrophobicContact CD1-CD2 3.52Å; L198-F233 HydrophobicContact CD1-CE2 3.92Å; L198-F233 HydrophobicContact CD1-CG 3.97Å; L198-F233 HydrophobicContact CD2-CG 4.49Å; L198-F233 HydrophobicContact CG-CD2 4.26Å; L198-F233 HydrophobicContact CG-CG 4.35Å; L199-F233 HydrophobicContact CD2-CE1 4.04Å; L199-F233 HydrophobicContact CD2-CZ 3.69Å; L199-F233 HydrophobicContact CG-CE1 4.41Å; L199-F233 HydrophobicContact CG-CZ 3.84Å; R204-F233 PolarHBondContact NH1-O 3.44Å; E229-F233 WeakPolarHBondContact O-CD2 3.39Å; L230-F233 PolarHBondContact O-N 2.94Å; L231-F233 PolarHBondContact O-N 3.11Å |
| 234 | S | 74.5 | Confident | 77.9 | Confident | 23 Ų | 23 | 52.7 Ų | 52.7 | 16% | 0.161 | 28% | 0.278 | C | S | . | . | trans | -178.5 | 145 | 163.7 | 173.9 | 0 | 0 | 0 | 0 | 111.4 | R204 L231 T236 | R204-S234 PolarHBondContact NH2-OG 2.86Å; R204-S234 VanDerWaalsContact NH2-OG 3.07Å; L231-S234 WeakPolarHBondContact CA-O 3.32Å; L231-S234 CarbonylContact O-C 3.58Å; L231-S234 PolarHBondContact O-N 3.45Å; L231-S234 VanDerWaalsContact O-O 3.12Å; S234-T236 VanDerWaalsContact C-N 3.27Å; S234-T236 PolarHBondContact O-N 3.49Å; S234-T236 WeakPolarHBondContact OG-CG2 3.36Å; S234-T236 PolarHBondContact OG-N 3.26Å; S234-T236 VanDerWaalsContact OG-N 3.12Å; S234-T236 PolarHBondContact OG-OG1 3.06Å; S234-T236 VanDerWaalsContact OG-OG1 3.1Å | ||
| 235 | P | 63.4 | Low | 77.5 | Confident | 92 Ų | 92 | 51.5 Ų | 51.5 | 60% | 0.597 | 27% | 0.272 | S | S | * | . | trans | -78.3 | -3.4 | 175 | 33.7 | -36.3 | 0 | 0 | 0 | 114 | L237 | P235-L237 PolarHBondContact O-N 2.73Å; P235-L237 VanDerWaalsContact O-N 3.14Å | ||
| 236 | T | 69.6 | Low | 77 | Confident | 72 Ų | 72 | 46.8 Ų | 46.8 | 44% | 0.442 | 25% | 0.247 | S | C | . | . | trans | -66.5 | 118 | -175.9 | 59 | 0 | 0 | 0 | 0 | 111.3 | R204 S234 G238 | R204-T236 PolarHBondContact NH2-OG1 3.24Å; S234-T236 VanDerWaalsContact C-N 3.27Å; S234-T236 PolarHBondContact O-N 3.49Å; S234-T236 WeakPolarHBondContact OG-CG2 3.36Å; S234-T236 PolarHBondContact OG-N 3.26Å; S234-T236 VanDerWaalsContact OG-N 3.12Å; S234-T236 PolarHBondContact OG-OG1 3.06Å; S234-T236 VanDerWaalsContact OG-OG1 3.1Å; T236-G238 PolarHBondContact O-N 2.97Å | ||
| 237 | L | 71.5 | Confident | 76.5 | Confident | 40 Ų | 40 | 46.8 Ų | 46.8 | 21% | 0.209 | 25% | 0.247 | C | C | . | . | trans | -89.3 | 104.6 | 178.7 | -61.7 | 169.9 | 0 | 0 | 0 | 109.1 | L215 L231 P235 L262 A265 A267 | L215-L237 HydrophobicContact CD2-CD2 3.86Å; L231-L237 HydrophobicContact CD2-CD2 3.81Å; P235-L237 PolarHBondContact O-N 2.73Å; P235-L237 VanDerWaalsContact O-N 3.14Å; L237-L262 HydrophobicContact CD2-CD2 3.74Å; L237-A265 HydrophobicContact CD2-CB 4.44Å; L237-A267 HydrophobicContact CD1-CB 3.42Å; L237-A267 VanDerWaalsContact CD1-CB 3.42Å | ||
| 238 | G | 64.5 | Low | 76.3 | Confident | 17 Ų | 17 | 46.8 Ų | 46.8 | 18% | 0.175 | 25% | 0.247 | C | C | . | . | trans | -58.7 | 142.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | T236 | T236-G238 PolarHBondContact O-N 2.97Š| ||
| 239 | I | 65.6 | Low | 76 | Confident | 98 Ų | 98 | 43.4 Ų | 43.4 | 50% | 0.503 | 23% | 0.233 | S | C | . | . | B | Isolated β-bridge | trans | -112.2 | 130.6 | 175.3 | -56 | 172.2 | 0 | 0 | 0 | 108 | L271 | I239-L271 HydrophobicContact CD1-CD2 3.95Å; I239-L271 HydrophobicContact CG1-CD2 4.31Å |
| 240 | L | 61.9 | Low | 75.7 | Confident | 29 Ų | 29 | 42.5 Ų | 42.5 | 15% | 0.152 | 23% | 0.228 | C | C | . | . | trans | -64.6 | 159.9 | 174.8 | -75.6 | 168.7 | 0 | 0 | 0 | 111.7 | G211 T212 L216 N242 G243 T244 | G211-L240 WeakPolarHBondContact O-CD2 3.27Å; T212-L240 HydrophobicContact CG2-CD2 4.27Å; L216-L240 HydrophobicContact CD1-CB 4.44Å; L216-L240 HydrophobicContact CD1-CD1 4.4Å; L216-L240 HydrophobicContact CD1-CD2 3.55Å; L216-L240 HydrophobicContact CD1-CG 3.47Å; L216-L240 VanDerWaalsContact CD1-CG 3.47Å; L216-L240 HydrophobicContact CD2-CD1 4.16Å; L216-L240 HydrophobicContact CD2-CG 3.95Å; L216-L240 HydrophobicContact CG-CG 4.26Å; L240-N242 WeakPolarHBondContact CB-OD1 3.42Å; L240-N242 PolarHBondContact O-N 3.41Å; L240-G243 PolarHBondContact O-N 3.18Å; L240-T244 VanDerWaalsContact CB-O 3.25Å; L240-T244 WeakPolarHBondContact CB-O 3.06Å; L240-T244 HydrophobicContact CD1-CG2 3.78Å; L240-T244 WeakPolarHBondContact CG-O 3.22Å; L240-T244 PolarHBondContact N-O 3.32Å | ||
| 241 | K | 60.5 | Low | 75.6 | Confident | 137 Ų | 137 | 42.4 Ų | 42.4 | 60% | 0.596 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -23.3 | 172.2 | -71.8 | 178.3 | -178.2 | 175.5 | 0 | 113.5 | N209 G243 K274 | N209-K241 PolarHBondContact O-NZ 3.49Å; K241-G243 VanDerWaalsContact C-N 3.34Å; K241-K274 WeakPolarHBondContact O-CE 3.39Å; K241-K274 PolarHBondContact O-NZ 3.27Å |
| 242 | N | 57.2 | Low | 75.5 | Confident | 80 Ų | 80 | 46 Ų | 46 | 43% | 0.428 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 10.8 | 175.4 | 70.9 | -8.8 | 0 | 0 | 0 | 113.4 | L240 T244 K274 | L240-N242 WeakPolarHBondContact CB-OD1 3.42Å; L240-N242 PolarHBondContact O-N 3.41Å; N242-T244 VanDerWaalsContact CG-OG1 3.31Å; N242-T244 PolarHBondContact ND2-OG1 3.11Å; N242-T244 PolarHBondContact O-N 3.03Å; N242-T244 WeakPolarHBondContact OD1-CB 2.99Å; N242-T244 PolarHBondContact OD1-N 2.9Å; N242-T244 PolarHBondContact OD1-OG1 3.4Å; N242-K274 WeakPolarHBondContact O-CB 3.5Å; N242-K274 VanDerWaalsContact O-CG 3.24Å; N242-K274 WeakPolarHBondContact O-CG 3.03Å; N242-K274 PolarHBondContact O-N 3.41Å |
| 243 | G | 67.1 | Low | 75.3 | Confident | 14 Ų | 14 | 41 Ų | 41 | 14% | 0.144 | 23% | 0.23 | C | C | . | . | S | Bend | trans | 77.8 | -3.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L240 K241 S245 | L240-G243 PolarHBondContact O-N 3.18Å; K241-G243 VanDerWaalsContact C-N 3.34Å; G243-S245 PolarHBondContact O-N 2.94Å |
| 244 | T | 76.3 | Confident | 75.6 | Confident | 18 Ų | 18 | 38.7 Ų | 38.7 | 11% | 0.11 | 23% | 0.228 | C | C | . | . | trans | -71.2 | 120.8 | 178.2 | -59.4 | 0 | 0 | 0 | 0 | 110.4 | L240 N242 H248 | L240-T244 VanDerWaalsContact CB-O 3.25Å; L240-T244 WeakPolarHBondContact CB-O 3.06Å; L240-T244 HydrophobicContact CD1-CG2 3.78Å; L240-T244 WeakPolarHBondContact CG-O 3.22Å; L240-T244 PolarHBondContact N-O 3.32Å; N242-T244 VanDerWaalsContact CG-OG1 3.31Å; N242-T244 PolarHBondContact ND2-OG1 3.11Å; N242-T244 PolarHBondContact O-N 3.03Å; N242-T244 WeakPolarHBondContact OD1-CB 2.99Å; N242-T244 PolarHBondContact OD1-N 2.9Å; N242-T244 PolarHBondContact OD1-OG1 3.4Å; T244-H248 HydrophobicContact CG2-CB 3.67Å | ||
| 245 | S | 85.1 | Confident | 76.2 | Confident | 10 Ų | 10 | 40.3 Ų | 40.3 | 7% | 0.07 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -87.6 | 169.1 | 174 | 70.6 | 0 | 0 | 0 | 0 | 112.5 | L216 G243 L247 H248 A249 | L216-S245 VanDerWaalsContact CD2-C 3.42Å; G243-S245 PolarHBondContact O-N 2.94Å; S245-L247 PolarHBondContact O-N 2.9Å; S245-L247 PolarHBondContact OG-N 3.4Å; S245-H248 PolarHBondContact N-ND1 3.07Å; S245-H248 PolarHBondContact O-N 3.31Å; S245-H248 VanDerWaalsContact O-N 3.16Å; S245-H248 PolarHBondContact OG-ND1 3.36Å; S245-A249 PolarHBondContact O-N 2.91Å |
| 246 | A | 83.3 | Confident | 77.4 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.008 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -55.2 | -32.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L215 L216 A219 A249 A250 L262 | L215-A246 HydrophobicContact CD2-CB 4.28Å; L215-A246 HydrophobicContact CG-CB 4.29Å; L216-A246 HydrophobicContact CD2-CB 4.21Å; L216-A246 VanDerWaalsContact CD2-N 3.27Å; A219-A246 HydrophobicContact CB-CB 4.18Å; A246-A249 PolarHBondContact O-N 3.43Å; A246-A250 WeakPolarHBondContact O-CB 3.4Å; A246-A250 PolarHBondContact O-N 3.19Å; A246-L262 HydrophobicContact CB-CD1 4Å; A246-L262 HydrophobicContact CB-CD2 3.92Å; A246-L262 WeakPolarHBondContact O-CD1 3.14Å |
| 247 | L | 85.3 | Confident | 78.3 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.9 | -43.9 | 177.9 | -172.6 | 62.3 | 0 | 0 | 0 | 112.3 | S245 A249 A250 V251 V259 L262 L263 A267 P269 P279 L292 | S245-L247 PolarHBondContact O-N 2.9Å; S245-L247 PolarHBondContact OG-N 3.4Å; L247-A249 VanDerWaalsContact C-N 3.29Å; L247-A249 PolarHBondContact O-N 3.41Å; L247-A250 PolarHBondContact O-N 3.24Å; L247-V251 HydrophobicContact CD1-CG2 4.35Å; L247-V251 HydrophobicContact CG-CG2 4.47Å; L247-V251 WeakPolarHBondContact O-CB 3.26Å; L247-V251 VanDerWaalsContact O-CG2 3.25Å; L247-V251 WeakPolarHBondContact O-CG2 3.39Å; L247-V251 PolarHBondContact O-N 2.84Å; L247-V259 HydrophobicContact CD1-CG1 4Å; L247-L262 HydrophobicContact CD1-CB 4.31Å; L247-L263 HydrophobicContact CD1-CD2 4.18Å; L247-L263 HydrophobicContact CD1-CG 4.15Å; L247-L263 HydrophobicContact CD2-CD2 3.9Å; L247-A267 HydrophobicContact CB-CB 4.07Å; L247-A267 HydrophobicContact CD1-CB 4.46Å; L247-A267 HydrophobicContact CD2-CB 4.01Å; L247-A267 HydrophobicContact CG-CB 4.42Å; L247-P269 HydrophobicContact CD2-CB 4.08Å; L247-P279 HydrophobicContact CD2-CB 4.33Å; L247-P279 HydrophobicContact CD2-CG 4.12Å; L247-P279 HydrophobicContact CG-CB 4.2Å; L247-P279 HydrophobicContact CG-CG 4.28Å; L247-L292 HydrophobicContact CD1-CD2 4.19Å; L247-L292 HydrophobicContact CD2-CD2 4.04Å; L247-L292 HydrophobicContact CG-CD2 4.32Å |
| 248 | H | 86.7 | Confident | 79.2 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.1 | -44.7 | 174.1 | -67.4 | 86.9 | 0 | 0 | 0 | 111.1 | T244 S245 V251 L252 L271 N273 E277 P279 L282 | T244-H248 HydrophobicContact CG2-CB 3.67Å; S245-H248 PolarHBondContact N-ND1 3.07Å; S245-H248 PolarHBondContact O-N 3.31Å; S245-H248 VanDerWaalsContact O-N 3.16Å; S245-H248 PolarHBondContact OG-ND1 3.36Å; H248-V251 PolarHBondContact O-N 3.17Å; H248-L252 WeakPolarHBondContact O-CB 3.1Å; H248-L252 WeakPolarHBondContact O-CG 3.25Å; H248-L252 PolarHBondContact O-N 3.32Å; H248-L271 PolarHBondContact CE1-O 3.01Å; H248-L271 PolarHBondContact NE2-O 3.11Å; H248-N273 PolarHBondContact NE2-N 3.16Å; H248-E277 PolarHBondContact NE2-O 3.22Å; H248-P279 WeakPolarHBondContact NE2-CD 3.42Å; H248-L282 HydrophobicContact CB-CD1 4.01Å |
| 249 | A | 84.7 | Confident | 80.3 | Confident | 9 Ų | 9 | 39.7 Ų | 39.7 | 7% | 0.074 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.2 | -43 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | N220 S245 A246 L247 S253 | N220-A249 HydrophobicContact CB-CB 4.12Å; S245-A249 PolarHBondContact O-N 2.91Å; A246-A249 PolarHBondContact O-N 3.43Å; L247-A249 VanDerWaalsContact C-N 3.29Å; L247-A249 PolarHBondContact O-N 3.41Å; A249-S253 PolarHBondContact O-N 3.28Å; A249-S253 VanDerWaalsContact O-N 3.09Å |
| 250 | A | 86.5 | Confident | 81.4 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.4 | -42.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A219 A246 L247 S253 G254 T258 V259 L262 | A219-A250 HydrophobicContact CB-CB 4.38Å; A246-A250 WeakPolarHBondContact O-CB 3.4Å; A246-A250 PolarHBondContact O-N 3.19Å; L247-A250 PolarHBondContact O-N 3.24Å; A250-S253 PolarHBondContact O-N 3.35Å; A250-S253 PolarHBondContact O-OG 2.86Å; A250-G254 PolarHBondContact O-N 3.01Å; A250-T258 WeakPolarHBondContact CB-OG1 3.14Å; A250-V259 HydrophobicContact CB-CG2 3.89Å; A250-L262 HydrophobicContact CB-CD1 3.55Å |
| 251 | V | 87.9 | Confident | 82.6 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.4 | -42.9 | 179.2 | 175.1 | 0 | 0 | 0 | 0 | 111.7 | L247 H248 S253 G254 V259 P279 L282 T283 I288 L292 | L247-V251 HydrophobicContact CD1-CG2 4.35Å; L247-V251 HydrophobicContact CG-CG2 4.47Å; L247-V251 WeakPolarHBondContact O-CB 3.26Å; L247-V251 VanDerWaalsContact O-CG2 3.25Å; L247-V251 WeakPolarHBondContact O-CG2 3.39Å; L247-V251 PolarHBondContact O-N 2.84Å; H248-V251 PolarHBondContact O-N 3.17Å; V251-S253 VanDerWaalsContact C-N 3.27Å; V251-S253 PolarHBondContact O-N 2.96Å; V251-G254 PolarHBondContact O-N 3.03Å; V251-V259 HydrophobicContact CB-CG2 4.49Å; V251-V259 HydrophobicContact CG2-CG1 4.42Å; V251-V259 HydrophobicContact CG2-CG2 3.69Å; V251-P279 WeakPolarHBondContact CG1-O 3.38Å; V251-P279 HydrophobicContact CG2-CB 4.14Å; V251-L282 HydrophobicContact CG1-CB 4.42Å; V251-T283 VanDerWaalsContact CG1-CB 3.44Å; V251-T283 HydrophobicContact CG1-CG2 3.42Å; V251-T283 VanDerWaalsContact CG1-CG2 3.42Å; V251-I288 HydrophobicContact CB-CG2 4.46Å; V251-I288 HydrophobicContact CG1-CG2 3.98Å; V251-I288 HydrophobicContact CG2-CG2 3.92Å; V251-L292 HydrophobicContact CG2-CD1 4.07Å; V251-L292 HydrophobicContact CG2-CD2 4.33Å |
| 252 | L | 85.6 | Confident | 83.8 | Confident | 104 Ų | 104 | 30 Ų | 30 | 55% | 0.545 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -59.2 | -38.1 | 173.6 | -79.1 | 168.9 | 0 | 0 | 0 | 112.4 | H248 G254 L282 | H248-L252 WeakPolarHBondContact O-CB 3.1Å; H248-L252 WeakPolarHBondContact O-CG 3.25Å; H248-L252 PolarHBondContact O-N 3.32Å; L252-G254 PolarHBondContact O-N 2.89Å; L252-L282 HydrophobicContact CD1-CD1 4.07Å; L252-L282 HydrophobicContact CD2-CB 3.86Å; L252-L282 HydrophobicContact CD2-CD1 4.28Å; L252-L282 HydrophobicContact CD2-CD2 4.26Å; L252-L282 HydrophobicContact CD2-CG 4.36Å; L252-L282 HydrophobicContact CG-CB 4.1Å; L252-L282 HydrophobicContact CG-CD1 3.92Å; L252-L282 HydrophobicContact CG-CG 4.49Å |
| 253 | S | 84.4 | Confident | 85.2 | Confident | 36 Ų | 36 | 26.9 Ų | 26.9 | 25% | 0.252 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -69.6 | -16.6 | 177.5 | 80.2 | 0 | 0 | 0 | 0 | 113.6 | N220 A249 A250 V251 N255 | N220-S253 WeakPolarHBondContact O-CB 3.42Å; A249-S253 PolarHBondContact O-N 3.28Å; A249-S253 VanDerWaalsContact O-N 3.09Å; A250-S253 PolarHBondContact O-N 3.35Å; A250-S253 PolarHBondContact O-OG 2.86Å; V251-S253 VanDerWaalsContact C-N 3.27Å; V251-S253 PolarHBondContact O-N 2.96Å; S253-N255 VanDerWaalsContact C-N 3.26Å; S253-N255 WeakPolarHBondContact CB-ND2 3.42Å; S253-N255 PolarHBondContact O-N 3.43Å; S253-N255 PolarHBondContact OG-N 2.92Å; S253-N255 PolarHBondContact OG-ND2 3.23Å |
| 254 | G | 85.9 | Confident | 86.1 | Confident | 30 Ų | 30 | 33.2 Ų | 33.2 | 31% | 0.309 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | 9.4 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | A250 V251 L252 I256 | A250-G254 PolarHBondContact O-N 3.01Å; V251-G254 PolarHBondContact O-N 3.03Å; L252-G254 PolarHBondContact O-N 2.89Å; G254-I256 PolarHBondContact O-N 3.4Å |
| 255 | N | 86.9 | Confident | 86.4 | Confident | 57 Ų | 57 | 33.8 Ų | 33.8 | 31% | 0.305 | 19% | 0.187 | S | C | . | . | trans | -81.9 | 102.4 | -178 | -75.6 | -62.2 | 0 | 0 | 0 | 111.7 | G222 S253 K257 T258 V259 | G222-N255 VanDerWaalsContact CA-ND2 3.26Å; G222-N255 WeakPolarHBondContact CA-ND2 3.08Å; S253-N255 VanDerWaalsContact C-N 3.26Å; S253-N255 WeakPolarHBondContact CB-ND2 3.42Å; S253-N255 PolarHBondContact O-N 3.43Å; S253-N255 PolarHBondContact OG-N 2.92Å; S253-N255 PolarHBondContact OG-ND2 3.23Å; N255-K257 VanDerWaalsContact C-N 3.3Å; N255-K257 PolarHBondContact O-N 3.44Å; N255-T258 HydrophobicContact CB-CG2 4.06Å; N255-T258 WeakPolarHBondContact CB-OG1 3.24Å; N255-T258 PolarHBondContact O-N 2.98Å; N255-T258 PolarHBondContact O-OG1 2.99Å; N255-V259 WeakPolarHBondContact O-CG2 3.17Å; N255-V259 PolarHBondContact O-N 3.43Å; N255-V259 VanDerWaalsContact O-N 3.16Å | ||
| 256 | I | 89.1 | Confident | 86.2 | Confident | 55 Ų | 55 | 36.1 Ų | 36.1 | 28% | 0.282 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60 | -40.4 | -177.9 | -57.9 | 172.3 | 0 | 0 | 0 | 111.6 | G254 V259 A260 R287 I288 L291 | G254-I256 PolarHBondContact O-N 3.4Å; I256-V259 PolarHBondContact O-N 3.16Å; I256-A260 PolarHBondContact O-N 2.89Å; I256-R287 HydrophobicContact CD1-CB 3.86Å; I256-R287 HydrophobicContact CD1-CG 4.42Å; I256-I288 HydrophobicContact CG1-CD1 4.29Å; I256-I288 HydrophobicContact CG1-CG1 3.83Å; I256-L291 HydrophobicContact CG2-CD1 3.52Å |
| 257 | K | 89.2 | Confident | 86.3 | Confident | 154 Ų | 154 | 36.5 Ų | 36.5 | 67% | 0.67 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -65 | -45.4 | -179.5 | -69.3 | -174.3 | 177.9 | -175.4 | 0 | 112.2 | N224 N255 V259 A260 L261 | N224-K257 WeakPolarHBondContact OD1-CB 3.46Å; N255-K257 VanDerWaalsContact C-N 3.3Å; N255-K257 PolarHBondContact O-N 3.44Å; K257-V259 VanDerWaalsContact C-N 3.32Å; K257-V259 PolarHBondContact O-N 3.23Å; K257-A260 PolarHBondContact O-N 3.33Å; K257-L261 WeakPolarHBondContact O-CG 3.24Å; K257-L261 PolarHBondContact O-N 3.42Å |
| 258 | T | 88.6 | Confident | 86.2 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.9 | -38.6 | 178.1 | 55.5 | 0 | 0 | 0 | 0 | 111.5 | N224 I227 A250 N255 L261 L262 | N224-T258 WeakPolarHBondContact OD1-CG2 3.19Å; N224-T258 PolarHBondContact OD1-N 2.84Å; I227-T258 HydrophobicContact CD1-CG2 3.49Å; I227-T258 VanDerWaalsContact CD1-CG2 3.49Å; A250-T258 WeakPolarHBondContact CB-OG1 3.14Å; N255-T258 HydrophobicContact CB-CG2 4.06Å; N255-T258 WeakPolarHBondContact CB-OG1 3.24Å; N255-T258 PolarHBondContact O-N 2.98Å; N255-T258 PolarHBondContact O-OG1 2.99Å; T258-L261 PolarHBondContact O-N 3.4Å; T258-L262 WeakPolarHBondContact O-CB 3.46Å; T258-L262 VanDerWaalsContact O-CG 3.22Å; T258-L262 WeakPolarHBondContact O-CG 3.46Å; T258-L262 PolarHBondContact O-N 2.81Å |
| 259 | V | 88.4 | Confident | 86 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.4 | -47.4 | 174.1 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | L247 A250 V251 N255 I256 K257 L262 L263 I288 L292 | L247-V259 HydrophobicContact CD1-CG1 4Å; A250-V259 HydrophobicContact CB-CG2 3.89Å; V251-V259 HydrophobicContact CB-CG2 4.49Å; V251-V259 HydrophobicContact CG2-CG1 4.42Å; V251-V259 HydrophobicContact CG2-CG2 3.69Å; N255-V259 WeakPolarHBondContact O-CG2 3.17Å; N255-V259 PolarHBondContact O-N 3.43Å; N255-V259 VanDerWaalsContact O-N 3.16Å; I256-V259 PolarHBondContact O-N 3.16Å; K257-V259 VanDerWaalsContact C-N 3.32Å; K257-V259 PolarHBondContact O-N 3.23Å; V259-L262 PolarHBondContact O-N 3.4Å; V259-L263 HydrophobicContact CG1-CD1 3.82Å; V259-L263 HydrophobicContact CG1-CG 4.35Å; V259-L263 WeakPolarHBondContact O-CB 3.5Å; V259-L263 VanDerWaalsContact O-CG 3.24Å; V259-L263 WeakPolarHBondContact O-CG 3.33Å; V259-L263 PolarHBondContact O-N 3.39Å; V259-I288 HydrophobicContact CG1-CG2 4.21Å; V259-I288 HydrophobicContact CG2-CG2 4.16Å; V259-L292 HydrophobicContact CG1-CD2 4.25Å |
| 260 | A | 88.6 | Confident | 85.9 | Confident | 27 Ų | 27 | 43.7 Ų | 43.7 | 22% | 0.223 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.8 | -48.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I256 K257 L262 L263 E264 L291 | I256-A260 PolarHBondContact O-N 2.89Å; K257-A260 PolarHBondContact O-N 3.33Å; A260-L262 VanDerWaalsContact C-N 3.35Å; A260-L262 PolarHBondContact O-N 3.35Å; A260-L263 PolarHBondContact O-N 2.94Å; A260-E264 WeakPolarHBondContact O-CG 3.45Å; A260-E264 PolarHBondContact O-N 2.9Å; A260-L291 HydrophobicContact CB-CD1 4.47Å |
| 261 | L | 87.2 | Confident | 85.8 | Confident | 32 Ų | 32 | 46.4 Ų | 46.4 | 17% | 0.168 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.6 | -43.7 | 178.3 | -73.7 | 172.3 | 0 | 0 | 0 | 112.5 | N224 E228 K257 T258 E264 A265 | N224-L261 HydrophobicContact CB-CD1 3.77Å; E228-L261 HydrophobicContact CG-CD1 4.12Å; E228-L261 HydrophobicContact CG-CD2 4.22Å; K257-L261 WeakPolarHBondContact O-CG 3.24Å; K257-L261 PolarHBondContact O-N 3.42Å; T258-L261 PolarHBondContact O-N 3.4Å; L261-E264 PolarHBondContact O-N 2.62Å; L261-A265 WeakPolarHBondContact O-CB 3.38Å; L261-A265 PolarHBondContact O-N 3.4Å |
| 262 | L | 86.6 | Confident | 85.6 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.5 | -39 | 179.1 | -70 | 169.8 | 0 | 0 | 0 | 111.8 | A219 I227 L237 A246 L247 A250 T258 V259 A260 A265 G266 A267 | A219-L262 HydrophobicContact CB-CD1 4.11Å; I227-L262 HydrophobicContact CG2-CD2 4.25Å; L237-L262 HydrophobicContact CD2-CD2 3.74Å; A246-L262 HydrophobicContact CB-CD1 4Å; A246-L262 HydrophobicContact CB-CD2 3.92Å; A246-L262 WeakPolarHBondContact O-CD1 3.14Å; L247-L262 HydrophobicContact CD1-CB 4.31Å; A250-L262 HydrophobicContact CB-CD1 3.55Å; T258-L262 WeakPolarHBondContact O-CB 3.46Å; T258-L262 VanDerWaalsContact O-CG 3.22Å; T258-L262 WeakPolarHBondContact O-CG 3.46Å; T258-L262 PolarHBondContact O-N 2.81Å; V259-L262 PolarHBondContact O-N 3.4Å; A260-L262 VanDerWaalsContact C-N 3.35Å; A260-L262 PolarHBondContact O-N 3.35Å; L262-A265 CarbonylContact O-C 3.56Å; L262-A265 PolarHBondContact O-N 3.28Å; L262-G266 PolarHBondContact O-N 3.27Å; L262-A267 HydrophobicContact CB-CB 4.06Å; L262-A267 WeakPolarHBondContact O-CB 3.39Å; L262-A267 PolarHBondContact O-N 3.22Å |
| 263 | L | 86.4 | Confident | 85.6 | Confident | 15 Ų | 15 | 47.2 Ų | 47.2 | 8% | 0.079 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.6 | -39.2 | 174.7 | -70.7 | 171.5 | 0 | 0 | 0 | 111.9 | L247 V259 A260 A265 G266 P269 L291 L292 K295 | L247-L263 HydrophobicContact CD1-CD2 4.18Å; L247-L263 HydrophobicContact CD1-CG 4.15Å; L247-L263 HydrophobicContact CD2-CD2 3.9Å; V259-L263 HydrophobicContact CG1-CD1 3.82Å; V259-L263 HydrophobicContact CG1-CG 4.35Å; V259-L263 WeakPolarHBondContact O-CB 3.5Å; V259-L263 VanDerWaalsContact O-CG 3.24Å; V259-L263 WeakPolarHBondContact O-CG 3.33Å; V259-L263 PolarHBondContact O-N 3.39Å; A260-L263 PolarHBondContact O-N 2.94Å; L263-A265 VanDerWaalsContact C-N 3.28Å; L263-A265 PolarHBondContact O-N 2.67Å; L263-G266 PolarHBondContact O-N 3.09Å; L263-G266 VanDerWaalsContact O-N 3.11Å; L263-P269 HydrophobicContact CD2-CB 4.26Å; L263-P269 HydrophobicContact CD2-CG 4.42Å; L263-L291 HydrophobicContact CD1-CB 4.27Å; L263-L292 HydrophobicContact CD1-CD2 4.28Å; L263-L292 HydrophobicContact CD2-CD2 4.3Å; L263-K295 HydrophobicContact CB-CG 4.47Å; L263-K295 HydrophobicContact CD1-CG 4.4Å; L263-K295 HydrophobicContact CD2-CB 4.36Å |
| 264 | E | 85.7 | Confident | 85.5 | Confident | 148 Ų | 148 | 53.3 Ų | 53.3 | 69% | 0.692 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -63.5 | -35.6 | 173.1 | -74.6 | 175.5 | -177 | 0 | 0 | 111.9 | A260 L261 G266 | A260-E264 WeakPolarHBondContact O-CG 3.45Å; A260-E264 PolarHBondContact O-N 2.9Å; L261-E264 PolarHBondContact O-N 2.62Å; E264-G266 PolarHBondContact O-N 3.29Å |
| 265 | A | 82.1 | Confident | 85.3 | Confident | 30 Ų | 30 | 55.2 Ų | 55.2 | 25% | 0.248 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | 2.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L231 L237 L261 L262 L263 | L231-A265 HydrophobicContact CD1-CB 3.79Å; L231-A265 HydrophobicContact CD2-CB 3.96Å; L231-A265 HydrophobicContact CG-CB 4.48Å; L237-A265 HydrophobicContact CD2-CB 4.44Å; L261-A265 WeakPolarHBondContact O-CB 3.38Å; L261-A265 PolarHBondContact O-N 3.4Å; L262-A265 CarbonylContact O-C 3.56Å; L262-A265 PolarHBondContact O-N 3.28Å; L263-A265 VanDerWaalsContact C-N 3.28Å; L263-A265 PolarHBondContact O-N 2.67Å |
| 266 | G | 82 | Confident | 85.1 | Confident | 59 Ų | 59 | 57.5 Ų | 57.5 | 61% | 0.608 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.5 | 23.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L262 L263 E264 D268 | L262-G266 PolarHBondContact O-N 3.27Å; L263-G266 PolarHBondContact O-N 3.09Å; L263-G266 VanDerWaalsContact O-N 3.11Å; E264-G266 PolarHBondContact O-N 3.29Å; G266-D268 PolarHBondContact O-N 3.38Å |
| 267 | A | 84.3 | Confident | 84.9 | Confident | 9 Ų | 9 | 58.6 Ų | 58.6 | 7% | 0.074 | 32% | 0.321 | C | S | . | . | trans | -62.9 | 128 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | L237 L247 L262 P269 | L237-A267 HydrophobicContact CD1-CB 3.42Å; L237-A267 VanDerWaalsContact CD1-CB 3.42Å; L247-A267 HydrophobicContact CB-CB 4.07Å; L247-A267 HydrophobicContact CD1-CB 4.46Å; L247-A267 HydrophobicContact CD2-CB 4.01Å; L247-A267 HydrophobicContact CG-CB 4.42Å; L262-A267 HydrophobicContact CB-CB 4.06Å; L262-A267 WeakPolarHBondContact O-CB 3.39Å; L262-A267 PolarHBondContact O-N 3.22Å; A267-P269 WeakPolarHBondContact O-CD 3.49Å | ||
| 268 | D | 82.7 | Confident | 84.7 | Confident | 81 Ų | 81 | 52.4 Ų | 52.4 | 43% | 0.433 | 30% | 0.296 | S | S | . | . | trans | -77.1 | 113.2 | 176.9 | -173.7 | -4 | 0 | 0 | 0 | 110.7 | G266 S270 L271 | G266-D268 PolarHBondContact O-N 3.38Å; D268-S270 VanDerWaalsContact CG-OG 3.27Å; D268-S270 PolarHBondContact O-N 3.38Å; D268-S270 WeakPolarHBondContact OD1-CA 3.21Å; D268-S270 WeakPolarHBondContact OD1-CB 3.25Å; D268-S270 PolarHBondContact OD1-N 3.2Å; D268-S270 PolarHBondContact OD1-OG 3Å; D268-S270 PolarHBondContact OD2-OG 3.49Å; D268-L271 HydrophobicContact CB-CB 4.3Å | ||
| 269 | P | 83.1 | Confident | 84.5 | Confident | 10 Ų | 10 | 52.4 Ų | 52.4 | 7% | 0.065 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -13.6 | 175.7 | 32.1 | -35.4 | 0 | 0 | 0 | 113.2 | L247 L263 A267 P279 L292 E296 | L247-P269 HydrophobicContact CD2-CB 4.08Å; L263-P269 HydrophobicContact CD2-CB 4.26Å; L263-P269 HydrophobicContact CD2-CG 4.42Å; A267-P269 WeakPolarHBondContact O-CD 3.49Å; P269-P279 WeakPolarHBondContact O-CD 3.46Å; P269-L292 HydrophobicContact CB-CD2 4.02Å; P269-E296 HydrophobicContact CB-CG 4.28Å; P269-E296 HydrophobicContact CG-CG 3.87Å |
| 270 | S | 83.7 | Confident | 84.4 | Confident | 69 Ų | 69 | 53.5 Ų | 53.5 | 48% | 0.483 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -7.2 | -179.1 | 75.6 | 0 | 0 | 0 | 0 | 114 | D268 R272 L278 | D268-S270 VanDerWaalsContact CG-OG 3.27Å; D268-S270 PolarHBondContact O-N 3.38Å; D268-S270 WeakPolarHBondContact OD1-CA 3.21Å; D268-S270 WeakPolarHBondContact OD1-CB 3.25Å; D268-S270 PolarHBondContact OD1-N 3.2Å; D268-S270 PolarHBondContact OD1-OG 3Å; D268-S270 PolarHBondContact OD2-OG 3.49Å; S270-R272 PolarHBondContact O-N 3.26Å; S270-L278 VanDerWaalsContact O-CD2 3.29Å; S270-L278 WeakPolarHBondContact O-CD2 3.29Å |
| 271 | L | 84.4 | Confident | 84.2 | Confident | 58 Ų | 58 | 57.6 Ų | 57.6 | 30% | 0.304 | 32% | 0.319 | S | S | . | . | trans | -67.6 | 126 | 177.7 | -173.4 | 72.4 | 0 | 0 | 0 | 110 | I239 H248 D268 P279 | I239-L271 HydrophobicContact CD1-CD2 3.95Å; I239-L271 HydrophobicContact CG1-CD2 4.31Å; H248-L271 PolarHBondContact CE1-O 3.01Å; H248-L271 PolarHBondContact NE2-O 3.11Å; D268-L271 HydrophobicContact CB-CB 4.3Å; L271-P279 WeakPolarHBondContact O-CD 3.49Å | ||
| 272 | R | 83.6 | Confident | 84.1 | Confident | 104 Ų | 104 | 57.8 Ų | 57.8 | 39% | 0.392 | 32% | 0.32 | S | S | . | . | trans | -92.8 | 144.3 | 174.9 | -65.8 | -172 | 178 | -93 | -4.1 | 111.7 | S270 N276 E277 L278 E281 | S270-R272 PolarHBondContact O-N 3.26Å; R272-N276 WeakPolarHBondContact CD-OD1 3.32Å; R272-N276 PolarHBondContact NH1-O 2.85Å; R272-E277 WeakPolarHBondContact CA-O 3.39Å; R272-L278 HydrophobicContact CG-CD2 3.75Å; R272-L278 HydrophobicContact CG-CG 4.06Å; R272-E281 IonicContact NH1-OE1 2.63Å; R272-E281 PolarHBondContact NH1-OE1 2.9Å; R272-E281 IonicContact NH1-OE2 3.52Å; R272-E281 IonicContact NH2-OE1 2.96Å | ||
| 273 | N | 84.2 | Confident | 84.1 | Confident | 17 Ų | 17 | 58.9 Ų | 58.9 | 9% | 0.091 | 33% | 0.327 | C | S | . | . | trans | -74.8 | 177.1 | 169.4 | 72.4 | 13.2 | 0 | 0 | 0 | 111.4 | H248 A275 N276 E277 | H248-N273 PolarHBondContact NE2-N 3.16Å; N273-A275 PolarHBondContact O-N 2.9Å; N273-A275 VanDerWaalsContact OD1-C 3.28Å; N273-A275 VanDerWaalsContact OD1-CA 3.28Å; N273-A275 WeakPolarHBondContact OD1-CA 3.45Å; N273-A275 WeakPolarHBondContact OD1-CB 3.42Å; N273-A275 PolarHBondContact OD1-N 3.07Å; N273-N276 WeakPolarHBondContact O-CA 3.35Å; N273-N276 PolarHBondContact O-N 3.06Å; N273-N276 PolarHBondContact OD1-N 2.93Å; N273-E277 PolarHBondContact N-O 3.39Å; N273-E277 VanDerWaalsContact N-O 3.11Å; N273-E277 PolarHBondContact ND2-OE2 2.98Å; N273-E277 PolarHBondContact OD1-N 3.38Å | ||
| 274 | K | 82.6 | Confident | 84 | Confident | 164 Ų | 164 | 68 Ų | 68 | 71% | 0.713 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -17.9 | 176.1 | -75.9 | -171.8 | -177.5 | 173.4 | 0 | 114.6 | K241 N242 N276 | K241-K274 WeakPolarHBondContact O-CE 3.39Å; K241-K274 PolarHBondContact O-NZ 3.27Å; N242-K274 WeakPolarHBondContact O-CB 3.5Å; N242-K274 VanDerWaalsContact O-CG 3.24Å; N242-K274 WeakPolarHBondContact O-CG 3.03Å; N242-K274 PolarHBondContact O-N 3.41Å; K274-N276 PolarHBondContact O-N 3.12Å |
| 275 | A | 81 | Confident | 84.1 | Confident | 70 Ų | 70 | 63.6 Ų | 63.6 | 58% | 0.579 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | 5.2 | 170 | 0 | 0 | 0 | 0 | 0 | 112.3 | N273 E277 | N273-A275 PolarHBondContact O-N 2.9Å; N273-A275 VanDerWaalsContact OD1-C 3.28Å; N273-A275 VanDerWaalsContact OD1-CA 3.28Å; N273-A275 WeakPolarHBondContact OD1-CA 3.45Å; N273-A275 WeakPolarHBondContact OD1-CB 3.42Å; N273-A275 PolarHBondContact OD1-N 3.07Å; A275-E277 HydrophobicContact CB-CG 4.07Å; A275-E277 PolarHBondContact O-N 3.2Å |
| 276 | N | 82.9 | Confident | 84.3 | Confident | 106 Ų | 106 | 67.4 Ų | 67.4 | 57% | 0.567 | 36% | 0.36 | S | S | * | . | trans | 63.1 | 25.9 | -177.7 | -161.9 | 47.2 | 0 | 0 | 0 | 113.4 | R272 N273 K274 | R272-N276 WeakPolarHBondContact CD-OD1 3.32Å; R272-N276 PolarHBondContact NH1-O 2.85Å; N273-N276 WeakPolarHBondContact O-CA 3.35Å; N273-N276 PolarHBondContact O-N 3.06Å; N273-N276 PolarHBondContact OD1-N 2.93Å; K274-N276 PolarHBondContact O-N 3.12Å | ||
| 277 | E | 84.8 | Confident | 84.5 | Confident | 78 Ų | 78 | 72.6 Ų | 72.6 | 36% | 0.364 | 36% | 0.361 | S | S | . | . | trans | -95.6 | 139.2 | 179.3 | -56.2 | 167.2 | 125.7 | 0 | 0 | 110.7 | H248 R272 N273 A275 E281 L282 | H248-E277 PolarHBondContact NE2-O 3.22Å; R272-E277 WeakPolarHBondContact CA-O 3.39Å; N273-E277 PolarHBondContact N-O 3.39Å; N273-E277 VanDerWaalsContact N-O 3.11Å; N273-E277 PolarHBondContact ND2-OE2 2.98Å; N273-E277 PolarHBondContact OD1-N 3.38Å; A275-E277 HydrophobicContact CB-CG 4.07Å; A275-E277 PolarHBondContact O-N 3.2Å; E277-E281 VanDerWaalsContact CA-OE2 3.27Å; E277-E281 WeakPolarHBondContact CA-OE2 3.39Å; E277-L282 HydrophobicContact CB-CD2 4.14Å | ||
| 278 | L | 86.8 | Confident | 84.7 | Confident | 24 Ų | 24 | 72.1 Ų | 72.1 | 13% | 0.126 | 36% | 0.357 | C | S | . | . | trans | -82.9 | 152.8 | 169 | -74.6 | 166.7 | 0 | 0 | 0 | 111 | S270 R272 A280 E281 L282 | S270-L278 VanDerWaalsContact O-CD2 3.29Å; S270-L278 WeakPolarHBondContact O-CD2 3.29Å; R272-L278 HydrophobicContact CG-CD2 3.75Å; R272-L278 HydrophobicContact CG-CG 4.06Å; L278-A280 PolarHBondContact O-N 3.41Å; L278-A280 VanDerWaalsContact O-N 3.14Å; L278-E281 HydrophobicContact CB-CB 4.49Å; L278-E281 HydrophobicContact CB-CG 4.03Å; L278-E281 PolarHBondContact N-OE2 3.46Å; L278-E281 WeakPolarHBondContact O-CB 3.28Å; L278-E281 PolarHBondContact O-N 2.93Å; L278-L282 PolarHBondContact O-N 3.36Å | ||
| 279 | P | 84.3 | Confident | 84.9 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -50.8 | -39.5 | 169.8 | -25.1 | 32.4 | 0 | 0 | 0 | 112.6 | L247 H248 V251 P269 L271 E281 L282 L292 | L247-P279 HydrophobicContact CD2-CB 4.33Å; L247-P279 HydrophobicContact CD2-CG 4.12Å; L247-P279 HydrophobicContact CG-CB 4.2Å; L247-P279 HydrophobicContact CG-CG 4.28Å; H248-P279 WeakPolarHBondContact NE2-CD 3.42Å; V251-P279 WeakPolarHBondContact CG1-O 3.38Å; V251-P279 HydrophobicContact CG2-CB 4.14Å; P269-P279 WeakPolarHBondContact O-CD 3.46Å; L271-P279 WeakPolarHBondContact O-CD 3.49Å; P279-E281 VanDerWaalsContact C-N 3.29Å; P279-E281 PolarHBondContact O-N 3.09Å; P279-L282 PolarHBondContact O-N 3.26Å; P279-L292 HydrophobicContact CB-CD1 4.41Å; P279-L292 HydrophobicContact CB-CD2 4.45Å |
| 280 | A | 85.2 | Confident | 85 | Confident | 23 Ų | 23 | 76.3 Ų | 76.3 | 19% | 0.19 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -65.4 | -28.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L278 L282 L289 L292 | L278-A280 PolarHBondContact O-N 3.41Å; L278-A280 VanDerWaalsContact O-N 3.14Å; A280-L282 VanDerWaalsContact C-N 3.26Å; A280-L282 PolarHBondContact O-N 2.89Å; A280-L289 HydrophobicContact CB-CD2 4.06Å; A280-L289 VanDerWaalsContact O-CD2 3.28Å; A280-L289 WeakPolarHBondContact O-CD2 3.49Å; A280-L292 HydrophobicContact CB-CD1 3.9Å |
| 281 | E | 85.6 | Confident | 85.1 | Confident | 112 Ų | 112 | 75.6 Ų | 75.6 | 52% | 0.523 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -75.9 | -18.7 | 179.3 | -66.9 | 165.6 | -178.8 | 0 | 0 | 111.7 | R272 E277 L278 P279 T283 | R272-E281 IonicContact NH1-OE1 2.63Å; R272-E281 PolarHBondContact NH1-OE1 2.9Å; R272-E281 IonicContact NH1-OE2 3.52Å; R272-E281 IonicContact NH2-OE1 2.96Å; E277-E281 VanDerWaalsContact CA-OE2 3.27Å; E277-E281 WeakPolarHBondContact CA-OE2 3.39Å; L278-E281 HydrophobicContact CB-CB 4.49Å; L278-E281 HydrophobicContact CB-CG 4.03Å; L278-E281 PolarHBondContact N-OE2 3.46Å; L278-E281 WeakPolarHBondContact O-CB 3.28Å; L278-E281 PolarHBondContact O-N 2.93Å; P279-E281 VanDerWaalsContact C-N 3.29Å; P279-E281 PolarHBondContact O-N 3.09Å; E281-T283 VanDerWaalsContact C-N 3.35Å; E281-T283 PolarHBondContact O-N 3.04Å |
| 282 | L | 84.8 | Confident | 85.2 | Confident | 36 Ų | 36 | 72.8 Ų | 72.8 | 19% | 0.188 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -84.4 | -2.7 | -177.2 | -61.7 | 179.1 | 0 | 0 | 0 | 114.3 | H248 V251 L252 E277 L278 P279 A280 | H248-L282 HydrophobicContact CB-CD1 4.01Å; V251-L282 HydrophobicContact CG1-CB 4.42Å; L252-L282 HydrophobicContact CD1-CD1 4.07Å; L252-L282 HydrophobicContact CD2-CB 3.86Å; L252-L282 HydrophobicContact CD2-CD1 4.28Å; L252-L282 HydrophobicContact CD2-CD2 4.26Å; L252-L282 HydrophobicContact CD2-CG 4.36Å; L252-L282 HydrophobicContact CG-CB 4.1Å; L252-L282 HydrophobicContact CG-CD1 3.92Å; L252-L282 HydrophobicContact CG-CG 4.49Å; E277-L282 HydrophobicContact CB-CD2 4.14Å; L278-L282 PolarHBondContact O-N 3.36Å; P279-L282 PolarHBondContact O-N 3.26Å; A280-L282 VanDerWaalsContact C-N 3.26Å; A280-L282 PolarHBondContact O-N 2.89Å |
| 283 | T | 85.6 | Confident | 85.2 | Confident | 23 Ų | 23 | 75.5 Ų | 75.5 | 14% | 0.141 | 35% | 0.353 | C | S | . | . | trans | -135.9 | 146 | -177.7 | -167.1 | 0 | 0 | 0 | 0 | 113.4 | V251 E281 N285 I288 L289 | V251-T283 VanDerWaalsContact CG1-CB 3.44Å; V251-T283 HydrophobicContact CG1-CG2 3.42Å; V251-T283 VanDerWaalsContact CG1-CG2 3.42Å; E281-T283 VanDerWaalsContact C-N 3.35Å; E281-T283 PolarHBondContact O-N 3.04Å; T283-N285 WeakPolarHBondContact OG1-CB 3.41Å; T283-N285 PolarHBondContact OG1-N 3.11Å; T283-N285 VanDerWaalsContact OG1-N 3.11Å; T283-I288 HydrophobicContact CG2-CB 4.17Å; T283-I288 HydrophobicContact CG2-CG2 3.9Å; T283-L289 HydrophobicContact CG2-CD2 3.9Å; T283-L289 HydrophobicContact CG2-CG 4.11Å | ||
| 284 | K | 85.1 | Confident | 84.9 | Confident | 206 Ų | 206 | 78.7 Ų | 78.7 | 90% | 0.896 | 38% | 0.376 | S | S | * | . | trans | -100.4 | 3.2 | 168.7 | -61.5 | -179.1 | -179.6 | 178.9 | 0 | 112.1 | E286 | K284-E286 PolarHBondContact O-N 3.05Š| ||
| 285 | N | 87.6 | Confident | 84.3 | Confident | 56 Ų | 56 | 77 Ų | 77 | 30% | 0.299 | 37% | 0.369 | S | S | . | . | trans | -81.3 | 107.8 | -176.3 | -171.4 | -28.6 | 0 | 0 | 0 | 110.8 | T283 R287 I288 L289 | T283-N285 WeakPolarHBondContact OG1-CB 3.41Å; T283-N285 PolarHBondContact OG1-N 3.11Å; T283-N285 VanDerWaalsContact OG1-N 3.11Å; N285-R287 PolarHBondContact O-N 3.23Å; N285-R287 VanDerWaalsContact O-N 3.09Å; N285-R287 WeakPolarHBondContact OD1-CB 3.45Å; N285-R287 PolarHBondContact OD1-N 3.5Å; N285-I288 HydrophobicContact CB-CB 4.28Å; N285-I288 HydrophobicContact CB-CD1 4.04Å; N285-I288 HydrophobicContact CB-CG1 4.12Å; N285-I288 PolarHBondContact O-N 3.47Å; N285-L289 PolarHBondContact O-N 3.14Å | ||
| 286 | E | 86.4 | Confident | 83.6 | Confident | 110 Ų | 110 | 76.4 Ų | 76.4 | 51% | 0.514 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -54.3 | -28.4 | 179.7 | -73.4 | -61.9 | 150.1 | 0 | 0 | 114.8 | K284 R290 | K284-E286 PolarHBondContact O-N 3.05Å; E286-R290 WeakPolarHBondContact O-CB 3.4Å; E286-R290 WeakPolarHBondContact O-CG 3.14Å; E286-R290 PolarHBondContact O-N 3.48Å; E286-R290 VanDerWaalsContact O-N 3.08Å; E286-R290 PolarHBondContact O-NE 3.31Å |
| 287 | R | 87.1 | Confident | 82.3 | Confident | 168 Ų | 168 | 73.9 Ų | 73.9 | 63% | 0.634 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -73 | -41.6 | 177.2 | -65.1 | -175.9 | -179.8 | -178.5 | 0.4 | 111.3 | I256 N285 R290 L291 | I256-R287 HydrophobicContact CD1-CB 3.86Å; I256-R287 HydrophobicContact CD1-CG 4.42Å; N285-R287 PolarHBondContact O-N 3.23Å; N285-R287 VanDerWaalsContact O-N 3.09Å; N285-R287 WeakPolarHBondContact OD1-CB 3.45Å; N285-R287 PolarHBondContact OD1-N 3.5Å; R287-R290 PolarHBondContact O-N 2.9Å; R287-L291 WeakPolarHBondContact O-CG 3.46Å; R287-L291 PolarHBondContact O-N 3.34Å; R287-L291 VanDerWaalsContact O-N 3.15Å |
| 288 | I | 86.6 | Confident | 80.3 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -68.6 | -43.4 | 177.3 | -61.9 | 179.8 | 0 | 0 | 0 | 109.7 | V251 I256 V259 T283 N285 R290 L291 L292 | V251-I288 HydrophobicContact CB-CG2 4.46Å; V251-I288 HydrophobicContact CG1-CG2 3.98Å; V251-I288 HydrophobicContact CG2-CG2 3.92Å; I256-I288 HydrophobicContact CG1-CD1 4.29Å; I256-I288 HydrophobicContact CG1-CG1 3.83Å; V259-I288 HydrophobicContact CG1-CG2 4.21Å; V259-I288 HydrophobicContact CG2-CG2 4.16Å; T283-I288 HydrophobicContact CG2-CB 4.17Å; T283-I288 HydrophobicContact CG2-CG2 3.9Å; N285-I288 HydrophobicContact CB-CB 4.28Å; N285-I288 HydrophobicContact CB-CD1 4.04Å; N285-I288 HydrophobicContact CB-CG1 4.12Å; N285-I288 PolarHBondContact O-N 3.47Å; I288-R290 VanDerWaalsContact C-N 3.3Å; I288-R290 PolarHBondContact O-N 3.37Å; I288-L291 WeakPolarHBondContact O-CB 3.35Å; I288-L291 PolarHBondContact O-N 2.94Å; I288-L291 VanDerWaalsContact O-N 3.09Å; I288-L292 HydrophobicContact CG2-CD1 4Å; I288-L292 HydrophobicContact CG2-CG 4.33Å; I288-L292 WeakPolarHBondContact O-CG 3.27Å; I288-L292 PolarHBondContact O-N 3.11Å |
| 289 | L | 86.8 | Confident | 78.3 | Confident | 17 Ų | 17 | 85.2 Ų | 85.2 | 9% | 0.089 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -57.9 | -42.2 | 175.2 | -69.3 | 175.3 | 0 | 0 | 0 | 112.1 | A280 T283 N285 L291 L292 R293 | A280-L289 HydrophobicContact CB-CD2 4.06Å; A280-L289 VanDerWaalsContact O-CD2 3.28Å; A280-L289 WeakPolarHBondContact O-CD2 3.49Å; T283-L289 HydrophobicContact CG2-CD2 3.9Å; T283-L289 HydrophobicContact CG2-CG 4.11Å; N285-L289 PolarHBondContact O-N 3.14Å; L289-L291 VanDerWaalsContact C-N 3.34Å; L289-L291 PolarHBondContact O-N 2.71Å; L289-L292 PolarHBondContact O-N 3.39Å; L289-R293 WeakPolarHBondContact O-CB 3.26Å; L289-R293 VanDerWaalsContact O-CG 3.26Å; L289-R293 WeakPolarHBondContact O-CG 3.4Å; L289-R293 PolarHBondContact O-N 3.15Å |
| 290 | R | 86.4 | Confident | 76 | Confident | 162 Ų | 162 | 95.1 Ų | 95.1 | 61% | 0.611 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -61.5 | -39.9 | 174.4 | -83.7 | -177 | -95.8 | 173.6 | -14.9 | 112.9 | E286 R287 I288 S294 | E286-R290 WeakPolarHBondContact O-CB 3.4Å; E286-R290 WeakPolarHBondContact O-CG 3.14Å; E286-R290 PolarHBondContact O-N 3.48Å; E286-R290 VanDerWaalsContact O-N 3.08Å; E286-R290 PolarHBondContact O-NE 3.31Å; R287-R290 PolarHBondContact O-N 2.9Å; I288-R290 VanDerWaalsContact C-N 3.3Å; I288-R290 PolarHBondContact O-N 3.37Å; R290-S294 WeakPolarHBondContact O-CB 3.28Å; R290-S294 PolarHBondContact O-N 3.48Å; R290-S294 VanDerWaalsContact O-N 3.11Å; R290-S294 PolarHBondContact O-OG 3.08Å |
| 291 | L | 86.2 | Confident | 73.7 | Confident | 53 Ų | 53 | 102.8 Ų | 102.8 | 28% | 0.277 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.4 | -39.6 | 177.1 | -72.7 | 173.2 | 0 | 0 | 0 | 112.8 | I256 A260 L263 R287 I288 L289 S294 | I256-L291 HydrophobicContact CG2-CD1 3.52Å; A260-L291 HydrophobicContact CB-CD1 4.47Å; L263-L291 HydrophobicContact CD1-CB 4.27Å; R287-L291 WeakPolarHBondContact O-CG 3.46Å; R287-L291 PolarHBondContact O-N 3.34Å; R287-L291 VanDerWaalsContact O-N 3.15Å; I288-L291 WeakPolarHBondContact O-CB 3.35Å; I288-L291 PolarHBondContact O-N 2.94Å; I288-L291 VanDerWaalsContact O-N 3.09Å; L289-L291 VanDerWaalsContact C-N 3.34Å; L289-L291 PolarHBondContact O-N 2.71Å; L291-S294 PolarHBondContact O-OG 3.25Å |
| 292 | L | 85.3 | Confident | 73.1 | Confident | 0 Ų | 0 | 102.3 Ų | 102.3 | 0% | 0 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -66.5 | -45.9 | 177.1 | -66.6 | 170.5 | 0 | 0 | 0 | 110.8 | L247 V251 V259 L263 P269 P279 A280 I288 L289 S294 K295 E296 | L247-L292 HydrophobicContact CD1-CD2 4.19Å; L247-L292 HydrophobicContact CD2-CD2 4.04Å; L247-L292 HydrophobicContact CG-CD2 4.32Å; V251-L292 HydrophobicContact CG2-CD1 4.07Å; V251-L292 HydrophobicContact CG2-CD2 4.33Å; V259-L292 HydrophobicContact CG1-CD2 4.25Å; L263-L292 HydrophobicContact CD1-CD2 4.28Å; L263-L292 HydrophobicContact CD2-CD2 4.3Å; P269-L292 HydrophobicContact CB-CD2 4.02Å; P279-L292 HydrophobicContact CB-CD1 4.41Å; P279-L292 HydrophobicContact CB-CD2 4.45Å; A280-L292 HydrophobicContact CB-CD1 3.9Å; I288-L292 HydrophobicContact CG2-CD1 4Å; I288-L292 HydrophobicContact CG2-CG 4.33Å; I288-L292 WeakPolarHBondContact O-CG 3.27Å; I288-L292 PolarHBondContact O-N 3.11Å; L289-L292 PolarHBondContact O-N 3.39Å; L292-S294 VanDerWaalsContact C-N 3.33Å; L292-S294 PolarHBondContact O-N 3.45Å; L292-K295 PolarHBondContact O-N 3.02Å; L292-E296 PolarHBondContact O-N 2.89Å |
| 293 | R | 83.4 | Confident | 72.5 | Confident | 160 Ų | 160 | 105.8 Ų | 105.8 | 60% | 0.604 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.2 | -29.4 | 179.6 | -71.3 | 176.7 | -174 | 176.8 | 5.1 | 114 | L289 K295 | L289-R293 WeakPolarHBondContact O-CB 3.26Å; L289-R293 VanDerWaalsContact O-CG 3.26Å; L289-R293 WeakPolarHBondContact O-CG 3.4Å; L289-R293 PolarHBondContact O-N 3.15Å; R293-K295 PolarHBondContact O-N 3.03Å |
| 294 | S | 78.8 | Confident | 71.8 | Confident | 84 Ų | 84 | 110.4 Ų | 110.4 | 59% | 0.587 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -14.7 | 177.9 | 68 | 0 | 0 | 0 | 0 | 113.3 | R290 L291 L292 | R290-S294 WeakPolarHBondContact O-CB 3.28Å; R290-S294 PolarHBondContact O-N 3.48Å; R290-S294 VanDerWaalsContact O-N 3.11Å; R290-S294 PolarHBondContact O-OG 3.08Å; L291-S294 PolarHBondContact O-OG 3.25Å; L292-S294 VanDerWaalsContact C-N 3.33Å; L292-S294 PolarHBondContact O-N 3.45Å |
| 295 | K | 70.7 | Confident | 71 | Confident | 128 Ų | 128 | 104.8 Ų | 104.8 | 56% | 0.557 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.9 | -13.5 | -179.4 | -67.4 | -68.1 | -173 | 172.1 | 0 | 113.7 | L263 L292 R293 G297 | L263-K295 HydrophobicContact CB-CG 4.47Å; L263-K295 HydrophobicContact CD1-CG 4.4Å; L263-K295 HydrophobicContact CD2-CB 4.36Å; L292-K295 PolarHBondContact O-N 3.02Å; R293-K295 PolarHBondContact O-N 3.03Å; K295-G297 PolarHBondContact O-N 3.09Å; K295-G297 VanDerWaalsContact O-N 3.12Å |
| 296 | E | 65.1 | Low | 70 | Confident | 58 Ų | 58 | 107.8 Ų | 107.8 | 27% | 0.271 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -64.9 | 103.5 | 158.6 | -74.1 | 179.3 | -174.9 | 0 | 0 | 108.1 | P269 L292 | P269-E296 HydrophobicContact CB-CG 4.28Å; P269-E296 HydrophobicContact CG-CG 3.87Å; L292-E296 PolarHBondContact O-N 2.89Å |
| 297 | G | 54.8 | Low | 68.9 | Low | 54 Ų | 54 | 107.7 Ų | 107.7 | 56% | 0.557 | 53% | 0.533 | S | S | * | . | trans | -54.6 | 163.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K295 R299 | K295-G297 PolarHBondContact O-N 3.09Å; K295-G297 VanDerWaalsContact O-N 3.12Å; G297-R299 PolarHBondContact O-N 2.99Å | ||
| 298 | P | 43.2 | Very low | 67.6 | Low | 126 Ų | 126 | 103.4 Ų | 103.4 | 82% | 0.818 | 53% | 0.526 | S | S | * | . | trans | -55.3 | 121.8 | -175.8 | 24.1 | -31.9 | 0 | 0 | 0 | 108.9 | K300 | P298-K300 PolarHBondContact O-N 2.98Š| ||
| 299 | R | 44.4 | Very low | 66.1 | Low | 214 Ų | 214 | 111.3 Ų | 111.3 | 81% | 0.808 | 57% | 0.567 | S | S | * | * | trans | -51.3 | 109.7 | 172.6 | -72.8 | -177.4 | -175.2 | -176.6 | -0.4 | 106.6 | G297 S301 | G297-R299 PolarHBondContact O-N 2.99Å; R299-S301 VanDerWaalsContact C-N 3.26Å; R299-S301 PolarHBondContact O-N 3.3Å | ||
| 300 | K | 37.1 | Very low | 64.4 | Low | 207 Ų | 207 | 119.2 Ų | 119.2 | 90% | 0.9 | 61% | 0.606 | S | S | * | * | trans | -65.6 | 98.3 | 167.5 | -71.8 | -172.8 | 177.9 | -178.6 | 0 | 105.8 | P298 | P298-K300 PolarHBondContact O-N 2.98Š| ||
| 301 | S | 37.5 | Very low | 62.4 | Low | 184 Ų | 184 | 115.3 Ų | 115.3 | 100% | 1.287 | 61% | 0.606 | S | S | * | * | trans | -58.8 | 0 | 162.9 | 49 | 0 | 0 | 0 | 0 | 110.8 | R299 | R299-S301 VanDerWaalsContact C-N 3.26Å; R299-S301 PolarHBondContact O-N 3.3Å |
Retrieved 301 of 301 residues in 163.7 ms
(Link to these results)