| 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 | 35.2 | Very low | 57.7 | Low | 235 Ų | 235 | 153.4 Ų | 153.4 | 100% | 1.158 | 75% | 0.748 | S | S | * | * | 0 | 90.5 | 0 | -83.6 | -172.9 | -97.9 | 0 | 0 | 107.8 | R3 | M1-R3 PolarHBondContact O-N 3.24Š| |||
| 2 | S | 40.5 | Very low | 60.6 | Low | 119 Ų | 119 | 148.8 Ų | 148.8 | 83% | 0.832 | 74% | 0.735 | S | S | * | * | trans | -88.8 | 93.8 | 172.5 | -178.5 | 0 | 0 | 0 | 0 | 106.5 | L4 | S2-L4 PolarHBondContact O-N 3.02Š| ||
| 3 | R | 44 | Very low | 63 | Low | 203 Ų | 203 | 137.4 Ų | 137.4 | 77% | 0.766 | 68% | 0.679 | S | S | * | * | trans | -67.7 | 121.5 | 170.7 | -78.9 | -175.3 | 175.6 | 175.3 | -1.2 | 106.9 | M1 Y5 | M1-R3 PolarHBondContact O-N 3.24Å; R3-Y5 WeakPolarHBondContact O-CD2 3.35Å; R3-Y5 PolarHBondContact O-N 3.42Å | ||
| 4 | L | 40.3 | Very low | 65.1 | Low | 163 Ų | 163 | 133.1 Ų | 133.1 | 85% | 0.853 | 66% | 0.66 | S | S | * | * | trans | -54.1 | 101.7 | 168.5 | -69.6 | 137.9 | 0 | 0 | 0 | 107.6 | S2 D6 | S2-L4 PolarHBondContact O-N 3.02Å; L4-D6 PolarHBondContact O-N 3.13Å | ||
| 5 | Y | 44.4 | Very low | 66.6 | Low | 205 Ų | 205 | 134.1 Ų | 134.1 | 80% | 0.804 | 66% | 0.659 | S | S | * | * | trans | -80.9 | 103.2 | 160.1 | -75.5 | -91 | 0 | 0 | 0 | 105.2 | R3 N7 | R3-Y5 WeakPolarHBondContact O-CD2 3.35Å; R3-Y5 PolarHBondContact O-N 3.42Å; Y5-N7 PolarHBondContact O-N 3.26Å | ||
| 6 | D | 49.1 | Very low | 68.1 | Low | 116 Ų | 116 | 132.3 Ų | 132.3 | 62% | 0.62 | 65% | 0.648 | S | S | * | * | trans | -54.4 | 131.7 | 161.3 | -73.9 | -38 | 0 | 0 | 0 | 107.7 | L4 Y8 | L4-D6 PolarHBondContact O-N 3.13Å; D6-Y8 VanDerWaalsContact C-N 3.25Å; D6-Y8 HydrophobicContact CB-CD2 4.01Å; D6-Y8 HydrophobicContact CB-CE2 3.75Å; D6-Y8 WeakPolarHBondContact O-CD2 3.49Å; D6-Y8 PolarHBondContact O-N 3.16Å | ||
| 7 | N | 51.9 | Low | 69.5 | Low | 172 Ų | 172 | 125.6 Ų | 125.6 | 92% | 0.92 | 62% | 0.616 | S | S | * | * | trans | -64.1 | 77.2 | -179 | -73.4 | -29.5 | 0 | 0 | 0 | 111.3 | Y5 | Y5-N7 PolarHBondContact O-N 3.26Š| ||
| 8 | Y | 64.9 | Low | 70.9 | Confident | 184 Ų | 184 | 118.9 Ų | 118.9 | 72% | 0.722 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 118.2 | 166.7 | -75.8 | -84.4 | 0 | 0 | 0 | 109.1 | D6 N54 | D6-Y8 VanDerWaalsContact C-N 3.25Å; D6-Y8 HydrophobicContact CB-CD2 4.01Å; D6-Y8 HydrophobicContact CB-CE2 3.75Å; D6-Y8 WeakPolarHBondContact O-CD2 3.49Å; D6-Y8 PolarHBondContact O-N 3.16Å; Y8-N54 PolarHBondContact O-ND2 3.23Å |
| 9 | E | 84.5 | Confident | 71.8 | Confident | 173 Ų | 173 | 114.6 Ų | 114.6 | 81% | 0.808 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 143.6 | 170.9 | -70.8 | -177.8 | 169.4 | 0 | 0 | 110.2 | N54 | E9-N54 PolarHBondContact O-ND2 3.37Š|
| 10 | P | 88.1 | Confident | 72.7 | Confident | 62 Ų | 62 | 112.7 Ų | 112.7 | 40% | 0.403 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -57.5 | 139.9 | 175.8 | -23.7 | 32.9 | 0 | 0 | 0 | 112.4 | N54 L56 I76 | P10-N54 CarbonylContact C-O 3.56Å; P10-N54 WeakPolarHBondContact CA-O 3.49Å; P10-L56 HydrophobicContact CB-CB 3.66Å; P10-L56 HydrophobicContact CB-CD2 4.36Å; P10-L56 HydrophobicContact CG-CB 4.11Å; P10-L56 HydrophobicContact CG-CD2 4.03Å; P10-I76 HydrophobicContact CB-CD1 4.1Å; P10-I76 HydrophobicContact CG-CD1 3.95Å |
| 11 | T | 92.1 | Very high | 73.5 | Confident | 55 Ų | 55 | 107.4 Ų | 107.4 | 34% | 0.337 | 53% | 0.53 | S | S | . | . | B | Isolated β-bridge | trans | -80.9 | 132.3 | 175.2 | -52.9 | 0 | 0 | 0 | 0 | 109.7 | L17 K53 N54 | T11-L17 HydrophobicContact CG2-CD2 3.95Å; T11-K53 WeakPolarHBondContact CB-O 3.39Å; T11-K53 PolarHBondContact OG1-O 2.95Å; T11-N54 PolarHBondContact N-O 3.31Å |
| 12 | V | 91.9 | Very high | 76 | Confident | 98 Ų | 98 | 96.8 Ų | 96.8 | 59% | 0.594 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -84.9 | 138.7 | 170.5 | 179.4 | 0 | 0 | 0 | 0 | 109.1 | D14 | V12-D14 VanDerWaalsContact C-N 3.31Å; V12-D14 PolarHBondContact O-N 3.09Å |
| 13 | I | 92.9 | Very high | 78.1 | Confident | 1 Ų | 1 | 93.1 Ų | 93.1 | 1% | 0.005 | 45% | 0.448 | C | S | . | . | trans | -70.1 | 92.5 | 169.7 | -56.6 | 178.3 | 0 | 0 | 0 | 107.8 | L17 L18 L50 I55 I58 D59 N60 L61 | I13-L17 HydrophobicContact CG1-CD2 4.43Å; I13-L18 HydrophobicContact CG2-CD1 4.16Å; I13-L18 HydrophobicContact CG2-CD2 3.63Å; I13-L18 HydrophobicContact CG2-CG 3.84Å; I13-L50 HydrophobicContact CD1-CD1 4.02Å; I13-L50 HydrophobicContact CG1-CD1 4.47Å; I13-L50 HydrophobicContact CG2-CD1 4.39Å; I13-I55 HydrophobicContact CD1-CD1 4.13Å; I13-I55 HydrophobicContact CD1-CG2 4.08Å; I13-I55 HydrophobicContact CG1-CD1 3.83Å; I13-I55 HydrophobicContact CG1-CG1 4.14Å; I13-I55 HydrophobicContact CG1-CG2 4.02Å; I13-I58 HydrophobicContact CD1-CG2 4.37Å; I13-D59 WeakPolarHBondContact CB-O 3.41Å; I13-D59 WeakPolarHBondContact CG2-O 3.17Å; I13-N60 HydrophobicContact CG2-CB 4.42Å; I13-N60 VanDerWaalsContact O-CB 3.25Å; I13-N60 WeakPolarHBondContact O-CB 3.2Å; I13-N60 PolarHBondContact O-ND2 3.32Å; I13-L61 HydrophobicContact CG2-CD2 4.15Å | ||
| 14 | D | 91.5 | Very high | 79.9 | Confident | 78 Ų | 78 | 86.5 Ų | 86.5 | 42% | 0.417 | 43% | 0.433 | S | S | . | . | trans | -105.8 | 173.1 | 176 | 69.9 | 13.1 | 0 | 0 | 0 | 111.5 | V12 Q16 L17 L18 | V12-D14 VanDerWaalsContact C-N 3.31Å; V12-D14 PolarHBondContact O-N 3.09Å; D14-Q16 PolarHBondContact O-N 2.99Å; D14-Q16 WeakPolarHBondContact OD1-CB 3.41Å; D14-Q16 PolarHBondContact OD1-N 3.37Å; D14-Q16 VanDerWaalsContact OD1-N 3.09Å; D14-L17 PolarHBondContact O-N 3.45Å; D14-L17 WeakPolarHBondContact OD1-CB 3.48Å; D14-L17 PolarHBondContact OD1-N 2.92Å; D14-L18 VanDerWaalsContact O-CG 3.29Å; D14-L18 WeakPolarHBondContact O-CG 3.31Å; D14-L18 PolarHBondContact O-N 3.02Å | ||
| 15 | K | 88.2 | Confident | 81.6 | Confident | 147 Ų | 147 | 82.1 Ų | 82.1 | 64% | 0.639 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -59.1 | -31.7 | 179.8 | -170.8 | 176 | -178.7 | 179.5 | 0 | 112.1 | N19 F42 | K15-N19 WeakPolarHBondContact O-CB 3.34Å; K15-N19 PolarHBondContact O-N 3.43Å; K15-N19 PolarHBondContact O-ND2 2.6Å; K15-F42 HydrophobicContact CG-CE2 4.26Å; K15-F42 HydrophobicContact CG-CZ 4.19Å |
| 16 | Q | 90.3 | Very high | 82.8 | Confident | 106 Ų | 106 | 74.5 Ų | 74.5 | 50% | 0.495 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -69.7 | -48.3 | 179.8 | -178.6 | 57.5 | 36 | 0 | 0 | 110.8 | D14 L18 N19 D20 | D14-Q16 PolarHBondContact O-N 2.99Å; D14-Q16 WeakPolarHBondContact OD1-CB 3.41Å; D14-Q16 PolarHBondContact OD1-N 3.37Å; D14-Q16 VanDerWaalsContact OD1-N 3.09Å; Q16-L18 VanDerWaalsContact C-N 3.31Å; Q16-L18 PolarHBondContact O-N 3.28Å; Q16-N19 PolarHBondContact O-N 3.26Å; Q16-D20 PolarHBondContact NE2-OD1 3.34Å; Q16-D20 PolarHBondContact NE2-OD2 2.82Å; Q16-D20 WeakPolarHBondContact O-CB 3.41Å; Q16-D20 VanDerWaalsContact O-CG 3.3Å; Q16-D20 PolarHBondContact O-N 2.96Å |
| 17 | L | 92.8 | Very high | 83.3 | Confident | 19 Ų | 19 | 76.5 Ų | 76.5 | 10% | 0.099 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -58.8 | -43.3 | 175.8 | -179.7 | 64.1 | 0 | 0 | 0 | 111.5 | T11 I13 D14 D20 A21 L50 K53 I55 | T11-L17 HydrophobicContact CG2-CD2 3.95Å; I13-L17 HydrophobicContact CG1-CD2 4.43Å; D14-L17 PolarHBondContact O-N 3.45Å; D14-L17 WeakPolarHBondContact OD1-CB 3.48Å; D14-L17 PolarHBondContact OD1-N 2.92Å; L17-D20 PolarHBondContact O-N 3.22Å; L17-A21 VanDerWaalsContact O-CB 3.25Å; L17-A21 WeakPolarHBondContact O-CB 3.21Å; L17-A21 PolarHBondContact O-N 2.98Å; L17-L50 HydrophobicContact CD2-CD2 4.16Å; L17-L50 HydrophobicContact CG-CD2 4.03Å; L17-K53 HydrophobicContact CD1-CD 3.9Å; L17-K53 HydrophobicContact CD1-CG 4.22Å; L17-I55 HydrophobicContact CD2-CD1 4.3Å |
| 18 | L | 93.3 | Very high | 83.3 | Confident | 5 Ų | 5 | 77.7 Ų | 77.7 | 3% | 0.026 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.5 | -46.9 | 177.9 | -68.5 | 172.2 | 0 | 0 | 0 | 111.7 | I13 D14 Q16 D20 A21 I22 F42 L48 L50 L61 F64 | I13-L18 HydrophobicContact CG2-CD1 4.16Å; I13-L18 HydrophobicContact CG2-CD2 3.63Å; I13-L18 HydrophobicContact CG2-CG 3.84Å; D14-L18 VanDerWaalsContact O-CG 3.29Å; D14-L18 WeakPolarHBondContact O-CG 3.31Å; D14-L18 PolarHBondContact O-N 3.02Å; Q16-L18 VanDerWaalsContact C-N 3.31Å; Q16-L18 PolarHBondContact O-N 3.28Å; L18-D20 PolarHBondContact O-N 2.8Å; L18-A21 PolarHBondContact O-N 3.45Å; L18-I22 WeakPolarHBondContact O-CD1 3.42Å; L18-I22 VanDerWaalsContact O-CG1 3.25Å; L18-I22 WeakPolarHBondContact O-CG1 3.26Å; L18-I22 PolarHBondContact O-N 3Å; L18-F42 HydrophobicContact CB-CE1 4.4Å; L18-F42 HydrophobicContact CB-CZ 4Å; L18-F42 HydrophobicContact CD1-CE2 4.29Å; L18-L48 HydrophobicContact CD2-CD1 4.35Å; L18-L48 HydrophobicContact CD2-CD2 3.92Å; L18-L50 HydrophobicContact CD2-CD1 4.36Å; L18-L61 HydrophobicContact CD2-CD2 3.88Å; L18-F64 HydrophobicContact CB-CZ 4.46Å; L18-F64 HydrophobicContact CD1-CE2 3.89Å; L18-F64 HydrophobicContact CD1-CZ 4.33Å; L18-F64 HydrophobicContact CD2-CE2 3.82Å; L18-F64 HydrophobicContact CD2-CZ 3.85Å; L18-F64 HydrophobicContact CG-CE2 4.37Å; L18-F64 HydrophobicContact CG-CZ 4.44Å |
| 19 | N | 89.7 | Confident | 82.5 | Confident | 37 Ų | 37 | 70.9 Ų | 70.9 | 20% | 0.198 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.3 | -47.3 | 175.2 | -77.2 | -23 | 0 | 0 | 0 | 111.3 | K15 Q16 A21 I22 L23 I40 F42 | K15-N19 WeakPolarHBondContact O-CB 3.34Å; K15-N19 PolarHBondContact O-N 3.43Å; K15-N19 PolarHBondContact O-ND2 2.6Å; Q16-N19 PolarHBondContact O-N 3.26Å; N19-A21 VanDerWaalsContact C-N 3.35Å; N19-A21 PolarHBondContact O-N 2.92Å; N19-I22 PolarHBondContact O-N 2.94Å; N19-L23 WeakPolarHBondContact O-CB 3.47Å; N19-L23 VanDerWaalsContact O-CG 3.23Å; N19-L23 WeakPolarHBondContact O-CG 3.38Å; N19-L23 PolarHBondContact O-N 3.24Å; N19-I40 HydrophobicContact CB-CD1 4.29Å; N19-F42 WeakPolarHBondContact OD1-CE1 3.38Å; N19-F42 VanDerWaalsContact OD1-CZ 3.29Å; N19-F42 WeakPolarHBondContact OD1-CZ 3.39Å |
| 20 | D | 88.9 | Confident | 80.8 | Confident | 76 Ų | 76 | 69.5 Ų | 69.5 | 41% | 0.406 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.6 | -40.6 | 179.9 | -72.5 | -25.3 | 0 | 0 | 0 | 111.9 | Q16 L17 L18 S24 | Q16-D20 PolarHBondContact NE2-OD1 3.34Å; Q16-D20 PolarHBondContact NE2-OD2 2.82Å; Q16-D20 WeakPolarHBondContact O-CB 3.41Å; Q16-D20 VanDerWaalsContact O-CG 3.3Å; Q16-D20 PolarHBondContact O-N 2.96Å; L17-D20 PolarHBondContact O-N 3.22Å; L18-D20 PolarHBondContact O-N 2.8Å; D20-S24 VanDerWaalsContact O-CB 3.32Å; D20-S24 WeakPolarHBondContact O-CB 3.27Å; D20-S24 PolarHBondContact O-N 3.08Å |
| 21 | A | 90.2 | Very high | 78.9 | Confident | 2 Ų | 2 | 70.7 Ų | 70.7 | 2% | 0.017 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.8 | -47.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | L17 L18 N19 S24 L25 L48 R49 L50 | L17-A21 VanDerWaalsContact O-CB 3.25Å; L17-A21 WeakPolarHBondContact O-CB 3.21Å; L17-A21 PolarHBondContact O-N 2.98Å; L18-A21 PolarHBondContact O-N 3.45Å; N19-A21 VanDerWaalsContact C-N 3.35Å; N19-A21 PolarHBondContact O-N 2.92Å; A21-S24 PolarHBondContact O-N 2.78Å; A21-S24 PolarHBondContact O-OG 3.4Å; A21-L25 PolarHBondContact O-N 3.19Å; A21-L48 HydrophobicContact CB-CD1 4.04Å; A21-R49 WeakPolarHBondContact CB-O 3.44Å; A21-L50 HydrophobicContact CB-CD2 3.84Å |
| 22 | I | 87.9 | Confident | 77 | Confident | 12 Ų | 12 | 69 Ų | 69 | 6% | 0.062 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -68.4 | -43.9 | -179.5 | -64.8 | 159.7 | 0 | 0 | 0 | 111.2 | L18 N19 S24 L25 L26 I40 F42 V45 L48 F64 | L18-I22 WeakPolarHBondContact O-CD1 3.42Å; L18-I22 VanDerWaalsContact O-CG1 3.25Å; L18-I22 WeakPolarHBondContact O-CG1 3.26Å; L18-I22 PolarHBondContact O-N 3Å; N19-I22 PolarHBondContact O-N 2.94Å; I22-S24 PolarHBondContact O-N 3.46Å; I22-L25 WeakPolarHBondContact O-CB 3.4Å; I22-L25 PolarHBondContact O-N 3.12Å; I22-L25 VanDerWaalsContact O-N 3.08Å; I22-L26 HydrophobicContact CG2-CD1 4.29Å; I22-L26 PolarHBondContact O-N 3.29Å; I22-L26 VanDerWaalsContact O-N 3.12Å; I22-I40 HydrophobicContact CB-CD1 4.22Å; I22-I40 HydrophobicContact CB-CG2 4.26Å; I22-I40 HydrophobicContact CD1-CG2 3.66Å; I22-I40 HydrophobicContact CG2-CD1 4.1Å; I22-I40 HydrophobicContact CG2-CG2 3.71Å; I22-F42 HydrophobicContact CD1-CD1 3.49Å; I22-F42 VanDerWaalsContact CD1-CD1 3.49Å; I22-F42 HydrophobicContact CD1-CE1 3.49Å; I22-F42 VanDerWaalsContact CD1-CE1 3.49Å; I22-V45 HydrophobicContact CD1-CG2 3.95Å; I22-V45 HydrophobicContact CG1-CG1 4.45Å; I22-V45 HydrophobicContact CG1-CG2 4.35Å; I22-V45 HydrophobicContact CG2-CG2 4.48Å; I22-L48 HydrophobicContact CG1-CD1 4.2Å; I22-F64 HydrophobicContact CD1-CE1 3.97Å; I22-F64 HydrophobicContact CD1-CZ 4.02Å |
| 23 | L | 84.2 | Confident | 75.1 | Confident | 41 Ų | 41 | 71.9 Ų | 71.9 | 22% | 0.215 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.5 | -36 | 175 | -71.4 | 173.3 | 0 | 0 | 0 | 111.9 | N19 L25 L26 K27 K36 I40 | N19-L23 WeakPolarHBondContact O-CB 3.47Å; N19-L23 VanDerWaalsContact O-CG 3.23Å; N19-L23 WeakPolarHBondContact O-CG 3.38Å; N19-L23 PolarHBondContact O-N 3.24Å; L23-L25 VanDerWaalsContact C-N 3.27Å; L23-L25 PolarHBondContact O-N 3.15Å; L23-L26 HydrophobicContact CD2-CD1 4.39Å; L23-L26 PolarHBondContact O-N 2.97Å; L23-K27 WeakPolarHBondContact O-CG 3.22Å; L23-K27 PolarHBondContact O-N 3.41Å; L23-K27 VanDerWaalsContact O-N 3.12Å; L23-K36 HydrophobicContact CD2-CG 4.36Å; L23-I40 HydrophobicContact CD2-CD1 4.03Å; L23-I40 HydrophobicContact CG-CD1 3.88Å |
| 24 | S | 81.5 | Confident | 73 | Confident | 65 Ų | 65 | 77.5 Ų | 77.5 | 46% | 0.455 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65 | -30.9 | 176.5 | 82.3 | 0 | 0 | 0 | 0 | 113 | D20 A21 I22 | D20-S24 VanDerWaalsContact O-CB 3.32Å; D20-S24 WeakPolarHBondContact O-CB 3.27Å; D20-S24 PolarHBondContact O-N 3.08Å; A21-S24 PolarHBondContact O-N 2.78Å; A21-S24 PolarHBondContact O-OG 3.4Å; I22-S24 PolarHBondContact O-N 3.46Å |
| 25 | L | 76.2 | Confident | 71.2 | Confident | 70 Ų | 70 | 75 Ų | 75 | 37% | 0.366 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -73.3 | -38.4 | 174.6 | -66.6 | 170.5 | 0 | 0 | 0 | 111.5 | A21 I22 L23 H47 R49 | A21-L25 PolarHBondContact O-N 3.19Å; I22-L25 WeakPolarHBondContact O-CB 3.4Å; I22-L25 PolarHBondContact O-N 3.12Å; I22-L25 VanDerWaalsContact O-N 3.08Å; L23-L25 VanDerWaalsContact C-N 3.27Å; L23-L25 PolarHBondContact O-N 3.15Å; L25-H47 VanDerWaalsContact CD1-O 3.29Å; L25-H47 WeakPolarHBondContact CD1-O 3.36Å; L25-R49 HydrophobicContact CD2-CB 4.27Å |
| 26 | L | 70 | Confident | 69.6 | Low | 45 Ų | 45 | 74.4 Ų | 74.4 | 24% | 0.236 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -69.2 | -32.1 | 179.6 | -67.6 | 170.5 | 0 | 0 | 0 | 113.3 | I22 L23 K28 G29 A35 | I22-L26 HydrophobicContact CG2-CD1 4.29Å; I22-L26 PolarHBondContact O-N 3.29Å; I22-L26 VanDerWaalsContact O-N 3.12Å; L23-L26 HydrophobicContact CD2-CD1 4.39Å; L23-L26 PolarHBondContact O-N 2.97Å; L26-K28 PolarHBondContact O-N 3.47Å; L26-G29 PolarHBondContact O-N 3.18Å; L26-G29 VanDerWaalsContact O-O 3.1Å; L26-A35 HydrophobicContact CD1-CB 3.79Å |
| 27 | K | 58.1 | Low | 67.9 | Low | 158 Ų | 158 | 77 Ų | 77 | 69% | 0.687 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -9.9 | 179.7 | -78 | 177.9 | -177.3 | 178 | 0 | 115 | L23 G29 | L23-K27 WeakPolarHBondContact O-CG 3.22Å; L23-K27 PolarHBondContact O-N 3.41Å; L23-K27 VanDerWaalsContact O-N 3.12Å; K27-G29 VanDerWaalsContact C-N 3.31Å |
| 28 | K | 53.5 | Low | 66.4 | Low | 197 Ų | 197 | 82.2 Ų | 82.2 | 86% | 0.857 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | 9.6 | 172.7 | -75.7 | -173 | 176.5 | -178.7 | 0 | 114.4 | L26 | L26-K28 PolarHBondContact O-N 3.47Š|
| 29 | G | 47 | Very low | 65.5 | Low | 42 Ų | 42 | 83.8 Ų | 83.8 | 43% | 0.433 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -156.4 | 166.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L26 K27 V31 | L26-G29 PolarHBondContact O-N 3.18Å; L26-G29 VanDerWaalsContact O-O 3.1Å; K27-G29 VanDerWaalsContact C-N 3.31Å; G29-V31 PolarHBondContact O-N 3.33Å |
| 30 | T | 48.7 | Very low | 64.9 | Low | 144 Ų | 144 | 84.2 Ų | 84.2 | 88% | 0.883 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -64.5 | 0.2 | -178.9 | 30.7 | 0 | 0 | 0 | 0 | 115.3 | S32 | T30-S32 VanDerWaalsContact C-N 3.3Å; T30-S32 PolarHBondContact O-N 3.16Å |
| 31 | V | 48.5 | Very low | 64.7 | Low | 87 Ų | 87 | 85.5 Ų | 85.5 | 53% | 0.527 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -84 | -1.9 | -178.2 | -171.4 | 0 | 0 | 0 | 0 | 112.6 | G29 E33 | G29-V31 PolarHBondContact O-N 3.33Å; V31-E33 VanDerWaalsContact C-N 3.28Å; V31-E33 PolarHBondContact O-N 2.82Å |
| 32 | S | 51.8 | Low | 64.7 | Low | 18 Ų | 18 | 86.8 Ų | 86.8 | 13% | 0.126 | 46% | 0.461 | C | S | . | . | G | 310 helix | trans | -68.8 | -14.8 | -176 | -175 | 0 | 0 | 0 | 0 | 115.4 | T30 K36 | T30-S32 VanDerWaalsContact C-N 3.3Å; T30-S32 PolarHBondContact O-N 3.16Å; S32-K36 WeakPolarHBondContact O-CG 3.46Å |
| 33 | E | 52.4 | Low | 64.8 | Low | 160 Ų | 160 | 90.1 Ų | 90.1 | 75% | 0.748 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -45.1 | -179.9 | -75.4 | 174.8 | 171.6 | 0 | 0 | 112.2 | V31 A35 K36 | V31-E33 VanDerWaalsContact C-N 3.28Å; V31-E33 PolarHBondContact O-N 2.82Å; E33-A35 PolarHBondContact O-N 3.16Å; E33-K36 PolarHBondContact O-N 3.4Å |
| 34 | L | 49.3 | Very low | 65 | Low | 118 Ų | 118 | 93.2 Ų | 93.2 | 62% | 0.618 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62 | -41.7 | 177.8 | -74.4 | 157.7 | 0 | 0 | 0 | 112.3 | K36 Q37 | L34-K36 PolarHBondContact O-N 2.66Å; L34-Q37 PolarHBondContact O-N 3.43Å |
| 35 | A | 52.7 | Low | 65.4 | Low | 26 Ų | 26 | 91.1 Ų | 91.1 | 22% | 0.215 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -69.4 | -14.9 | 179 | 0 | 0 | 0 | 0 | 0 | 114.4 | L26 E33 | L26-A35 HydrophobicContact CD1-CB 3.79Å; E33-A35 PolarHBondContact O-N 3.16Å |
| 36 | K | 55.6 | Low | 66.3 | Low | 134 Ų | 134 | 90.9 Ų | 90.9 | 58% | 0.583 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -82 | -27.3 | 174.3 | -76.9 | 179.1 | -178.5 | 178.6 | 0 | 112.5 | L23 S32 E33 L34 | L23-K36 HydrophobicContact CD2-CG 4.36Å; S32-K36 WeakPolarHBondContact O-CG 3.46Å; E33-K36 PolarHBondContact O-N 3.4Å; L34-K36 PolarHBondContact O-N 2.66Å |
| 37 | Q | 53.6 | Low | 67.5 | Low | 160 Ų | 160 | 92.8 Ų | 92.8 | 75% | 0.748 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -74.6 | -44.9 | 179.6 | -77.9 | -179.2 | -30.6 | 0 | 0 | 111.4 | L34 | L34-Q37 PolarHBondContact O-N 3.43Å |
| 38 | D | 62.4 | Low | 69.3 | Low | 129 Ų | 129 | 85.5 Ų | 85.5 | 69% | 0.69 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -87.2 | -7.6 | -174.9 | -66.4 | -18.4 | 0 | 0 | 0 | 114.5 | ||
| 39 | G | 73.5 | Confident | 71.3 | Confident | 39 Ų | 39 | 81.2 Ų | 81.2 | 40% | 0.402 | 43% | 0.434 | S | S | . | . | trans | 78 | 161.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | H41 | G39-H41 PolarHBondContact O-N 3.42Š| ||
| 40 | I | 77.8 | Confident | 73.7 | Confident | 45 Ų | 45 | 79.2 Ų | 79.2 | 23% | 0.231 | 41% | 0.413 | C | S | . | . | trans | -88.1 | 109.3 | -176.1 | -56.6 | 176.3 | 0 | 0 | 0 | 110.2 | N19 I22 L23 F42 | N19-I40 HydrophobicContact CB-CD1 4.29Å; I22-I40 HydrophobicContact CB-CD1 4.22Å; I22-I40 HydrophobicContact CB-CG2 4.26Å; I22-I40 HydrophobicContact CD1-CG2 3.66Å; I22-I40 HydrophobicContact CG2-CD1 4.1Å; I22-I40 HydrophobicContact CG2-CG2 3.71Å; L23-I40 HydrophobicContact CD2-CD1 4.03Å; L23-I40 HydrophobicContact CG-CD1 3.88Å; I40-F42 HydrophobicContact CB-CD1 4.44Å; I40-F42 HydrophobicContact CB-CE1 4.17Å; I40-F42 HydrophobicContact CG2-CD1 3.7Å; I40-F42 HydrophobicContact CG2-CE1 3.73Å; I40-F42 PolarHBondContact O-N 3.37Å | ||
| 41 | H | 84.6 | Confident | 75.9 | Confident | 103 Ų | 103 | 73 Ų | 73 | 48% | 0.477 | 38% | 0.375 | S | S | . | . | trans | -81.2 | 94.8 | 172.3 | -63.6 | -84.9 | 0 | 0 | 0 | 111.2 | G39 E43 N44 | G39-H41 PolarHBondContact O-N 3.42Å; H41-E43 HydrophobicContact CB-CG 4.46Å; H41-E43 PolarHBondContact O-N 3.2Å; H41-E43 VanDerWaalsContact O-N 3.14Å; H41-N44 PolarHBondContact O-N 3.36Å; H41-N44 VanDerWaalsContact O-N 3.11Å | ||
| 42 | F | 89.6 | Confident | 78.1 | Confident | 29 Ų | 29 | 76.4 Ų | 76.4 | 13% | 0.127 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -56.1 | -30.3 | -179.2 | -63.4 | -22.3 | 0 | 0 | 0 | 113.9 | K15 L18 N19 I22 I40 N44 V45 A63 F64 | K15-F42 HydrophobicContact CG-CE2 4.26Å; K15-F42 HydrophobicContact CG-CZ 4.19Å; L18-F42 HydrophobicContact CB-CE1 4.4Å; L18-F42 HydrophobicContact CB-CZ 4Å; L18-F42 HydrophobicContact CD1-CE2 4.29Å; N19-F42 WeakPolarHBondContact OD1-CE1 3.38Å; N19-F42 VanDerWaalsContact OD1-CZ 3.29Å; N19-F42 WeakPolarHBondContact OD1-CZ 3.39Å; I22-F42 HydrophobicContact CD1-CD1 3.49Å; I22-F42 VanDerWaalsContact CD1-CD1 3.49Å; I22-F42 HydrophobicContact CD1-CE1 3.49Å; I22-F42 VanDerWaalsContact CD1-CE1 3.49Å; I40-F42 HydrophobicContact CB-CD1 4.44Å; I40-F42 HydrophobicContact CB-CE1 4.17Å; I40-F42 HydrophobicContact CG2-CD1 3.7Å; I40-F42 HydrophobicContact CG2-CE1 3.73Å; I40-F42 PolarHBondContact O-N 3.37Å; F42-N44 PolarHBondContact O-N 2.87Å; F42-V45 PolarHBondContact O-N 3.48Å; F42-V45 VanDerWaalsContact O-N 3.16Å; F42-A63 CarbonylContact C-O 3.39Å; F42-A63 HydrophobicContact CB-CB 3.82Å; F42-A63 HydrophobicContact CD2-CB 3.9Å; F42-A63 HydrophobicContact CG-CB 4.38Å; F42-F64 HydrophobicContact CB-CD1 4.33Å; F42-F64 HydrophobicContact CB-CD2 4.48Å; F42-F64 HydrophobicContact CB-CE1 4.09Å; F42-F64 HydrophobicContact CB-CE2 4.27Å; F42-F64 HydrophobicContact CB-CZ 4.05Å; F42-F64 HydrophobicContact CD1-CE1 4.3Å; F42-F64 AromaticContact CD1-CZ 3.97Å; F42-F64 HydrophobicContact CD1-CZ 3.97Å; F42-F64 HydrophobicContact CD2-CE2 4.37Å; F42-F64 HydrophobicContact CD2-CZ 4.39Å; F42-F64 HydrophobicContact CG-CE1 4.31Å; F42-F64 HydrophobicContact CG-CE2 4.23Å; F42-F64 AromaticContact CG-CZ 3.89Å; F42-F64 HydrophobicContact CG-CZ 3.89Å; F42-F64 WeakPolarHBondContact O-CD1 3.48Å |
| 43 | E | 89.2 | Confident | 80.2 | Confident | 82 Ų | 82 | 79.1 Ų | 79.1 | 38% | 0.383 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -63.1 | -24 | 179.7 | 62.4 | -172.9 | 173.6 | 0 | 0 | 114.1 | H41 A63 K65 S66 | H41-E43 HydrophobicContact CB-CG 4.46Å; H41-E43 PolarHBondContact O-N 3.2Å; H41-E43 VanDerWaalsContact O-N 3.14Å; E43-A63 VanDerWaalsContact CA-O 3.27Å; E43-A63 WeakPolarHBondContact CA-O 3.49Å; E43-A63 PolarHBondContact N-O 3.42Å; E43-K65 HydrophobicContact CB-CB 4.45Å; E43-K65 HydrophobicContact CB-CD 4.29Å; E43-K65 HydrophobicContact CB-CG 4.5Å; E43-K65 IonicContact OE2-NZ 3.57Å; E43-S66 WeakPolarHBondContact O-CB 3.1Å; E43-S66 PolarHBondContact O-N 3.09Å; E43-S66 PolarHBondContact O-OG 3.42Å |
| 44 | N | 88.4 | Confident | 82.2 | Confident | 107 Ų | 107 | 73.8 Ų | 73.8 | 57% | 0.572 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -96.2 | -6.3 | -179.5 | -65.4 | -28.1 | 0 | 0 | 0 | 113 | H41 F42 T46 | H41-N44 PolarHBondContact O-N 3.36Å; H41-N44 VanDerWaalsContact O-N 3.11Å; F42-N44 PolarHBondContact O-N 2.87Å; N44-T46 PolarHBondContact O-N 3.47Å |
| 45 | V | 91.6 | Very high | 84.5 | Confident | 21 Ų | 21 | 68.2 Ų | 68.2 | 13% | 0.127 | 34% | 0.336 | C | S | . | . | trans | -73.5 | 120.9 | -177.6 | 175.6 | 0 | 0 | 0 | 0 | 109.7 | I22 F42 H47 F64 S66 L67 | I22-V45 HydrophobicContact CD1-CG2 3.95Å; I22-V45 HydrophobicContact CG1-CG1 4.45Å; I22-V45 HydrophobicContact CG1-CG2 4.35Å; I22-V45 HydrophobicContact CG2-CG2 4.48Å; F42-V45 PolarHBondContact O-N 3.48Å; F42-V45 VanDerWaalsContact O-N 3.16Å; V45-H47 VanDerWaalsContact CG1-O 3.25Å; V45-H47 WeakPolarHBondContact CG1-O 3.35Å; V45-F64 HydrophobicContact CB-CD1 3.79Å; V45-F64 HydrophobicContact CB-CE1 3.79Å; V45-F64 HydrophobicContact CG1-CD1 4.04Å; V45-F64 HydrophobicContact CG1-CE1 3.86Å; V45-F64 HydrophobicContact CG2-CE1 4.14Å; V45-S66 CarbonylContact O-C 3.6Å; V45-L67 HydrophobicContact CG1-CD1 4.27Å; V45-L67 WeakPolarHBondContact O-CA 3.49Å; V45-L67 PolarHBondContact O-N 3.18Å | ||
| 46 | T | 94.5 | Very high | 86.5 | Confident | 64 Ų | 64 | 70.2 Ų | 70.2 | 39% | 0.393 | 34% | 0.343 | S | S | . | . | trans | -97.9 | -16.9 | -179.4 | 56 | 0 | 0 | 0 | 0 | 113.4 | N44 V68 K69 | N44-T46 PolarHBondContact O-N 3.47Å; T46-V68 HydrophobicContact CG2-CG2 4.49Å; T46-V68 WeakPolarHBondContact O-CA 3.38Å; T46-V68 WeakPolarHBondContact O-CB 3.31Å; T46-V68 PolarHBondContact O-N 2.96Å; T46-K69 PolarHBondContact O-N 3.23Å | ||
| 47 | H | 95.4 | Very high | 88.5 | Confident | 85 Ų | 85 | 68.4 Ų | 68.4 | 39% | 0.394 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 125.3 | -177.4 | -64.6 | 72.8 | 0 | 0 | 0 | 109.8 | L25 V45 K69 | L25-H47 VanDerWaalsContact CD1-O 3.29Å; L25-H47 WeakPolarHBondContact CD1-O 3.36Å; V45-H47 VanDerWaalsContact CG1-O 3.25Å; V45-H47 WeakPolarHBondContact CG1-O 3.35Å; H47-K69 WeakPolarHBondContact CA-O 3.43Å; H47-K69 VanDerWaalsContact CD2-CD 3.48Å; H47-K69 WeakPolarHBondContact CD2-CD 3.45Å; H47-K69 WeakPolarHBondContact NE2-CD 3.39Å; H47-K69 WeakPolarHBondContact NE2-CE 3.42Å |
| 48 | L | 96 | Very high | 90.5 | Very high | 5 Ų | 5 | 60.8 Ų | 60.8 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 128.6 | 178.1 | -178.2 | 61.4 | 0 | 0 | 0 | 110.1 | L18 A21 I22 L50 L61 F64 L67 K69 L70 Q71 | L18-L48 HydrophobicContact CD2-CD1 4.35Å; L18-L48 HydrophobicContact CD2-CD2 3.92Å; A21-L48 HydrophobicContact CB-CD1 4.04Å; I22-L48 HydrophobicContact CG1-CD1 4.2Å; L48-L50 HydrophobicContact CD1-CD2 4.46Å; L48-L50 HydrophobicContact CD1-CG 4.31Å; L48-L50 HydrophobicContact CD2-CD1 3.89Å; L48-L50 HydrophobicContact CD2-CG 4.34Å; L48-L50 HydrophobicContact CG-CD1 4.13Å; L48-L50 HydrophobicContact CG-CG 4.03Å; L48-L61 HydrophobicContact CD2-CD2 3.69Å; L48-F64 HydrophobicContact CD1-CE1 4.43Å; L48-F64 HydrophobicContact CD1-CZ 4.45Å; L48-F64 HydrophobicContact CD2-CD1 4.43Å; L48-F64 HydrophobicContact CD2-CE1 4.05Å; L48-F64 HydrophobicContact CD2-CE2 4.2Å; L48-F64 HydrophobicContact CD2-CZ 3.93Å; L48-L67 HydrophobicContact CB-CD1 3.7Å; L48-L67 HydrophobicContact CB-CD2 4.18Å; L48-L67 HydrophobicContact CD2-CD2 4.45Å; L48-K69 PolarHBondContact N-O 3.27Å; L48-L70 HydrophobicContact CB-CD1 4.2Å; L48-L70 HydrophobicContact CD2-CD1 4.1Å; L48-L70 HydrophobicContact CG-CD1 4.24Å; L48-Q71 PolarHBondContact O-N 3.44Å |
| 49 | R | 95.7 | Very high | 91.9 | Very high | 107 Ų | 107 | 58.1 Ų | 58.1 | 40% | 0.404 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 114 | -177.8 | 177.5 | 172.9 | 175.5 | -168.3 | 0.2 | 110.2 | A21 L25 D51 Q71 | A21-R49 WeakPolarHBondContact CB-O 3.44Å; L25-R49 HydrophobicContact CD2-CB 4.27Å; R49-D51 WeakPolarHBondContact CD-OD1 3.28Å; R49-D51 WeakPolarHBondContact CG-OD1 3.48Å; R49-D51 IonicContact CZ-OD1 3.28Å; R49-D51 IonicContact CZ-OD2 2.89Å; R49-D51 IonicContact NE-OD1 2.64Å; R49-D51 PolarHBondContact NE-OD1 2.93Å; R49-D51 IonicContact NE-OD2 3.6Å; R49-D51 PolarHBondContact NE-OD2 3.43Å; R49-D51 VanDerWaalsContact NE-OD2 3.15Å; R49-D51 IonicContact NH2-OD1 2.88Å; R49-D51 IonicContact NH2-OD2 3.74Å; R49-D51 PolarHBondContact NH2-OD2 3.34Å; R49-Q71 HydrophobicContact CG-CB 4.46Å |
| 50 | L | 96.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -129.4 | 30.2 | -176.4 | -67.2 | 176.3 | 0 | 0 | 0 | 111.2 | I13 L17 L18 A21 L48 K53 I55 L61 Q71 L72 N75 | I13-L50 HydrophobicContact CD1-CD1 4.02Å; I13-L50 HydrophobicContact CG1-CD1 4.47Å; I13-L50 HydrophobicContact CG2-CD1 4.39Å; L17-L50 HydrophobicContact CD2-CD2 4.16Å; L17-L50 HydrophobicContact CG-CD2 4.03Å; L18-L50 HydrophobicContact CD2-CD1 4.36Å; A21-L50 HydrophobicContact CB-CD2 3.84Å; L48-L50 HydrophobicContact CD1-CD2 4.46Å; L48-L50 HydrophobicContact CD1-CG 4.31Å; L48-L50 HydrophobicContact CD2-CD1 3.89Å; L48-L50 HydrophobicContact CD2-CG 4.34Å; L48-L50 HydrophobicContact CG-CD1 4.13Å; L48-L50 HydrophobicContact CG-CG 4.03Å; L50-K53 WeakPolarHBondContact O-CG 3.43Å; L50-I55 HydrophobicContact CB-CD1 3.89Å; L50-I55 HydrophobicContact CD1-CD1 4.42Å; L50-L61 HydrophobicContact CD1-CD2 4.43Å; L50-Q71 CarbonylContact C-O 3.27Å; L50-Q71 WeakPolarHBondContact CA-O 3.3Å; L50-Q71 PolarHBondContact N-O 2.89Å; L50-L72 HydrophobicContact CB-CD2 3.7Å; L50-L72 HydrophobicContact CD1-CD2 4.01Å; L50-N75 PolarHBondContact O-ND2 3.09Å | ||
| 51 | D | 95.7 | Very high | 93.6 | Very high | 15 Ų | 15 | 57 Ų | 57 | 8% | 0.08 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | 150.4 | 176.7 | 64.1 | -47.6 | 0 | 0 | 0 | 112.6 | R49 K53 Q71 D73 | R49-D51 WeakPolarHBondContact CD-OD1 3.28Å; R49-D51 WeakPolarHBondContact CG-OD1 3.48Å; R49-D51 IonicContact CZ-OD1 3.28Å; R49-D51 IonicContact CZ-OD2 2.89Å; R49-D51 IonicContact NE-OD1 2.64Å; R49-D51 PolarHBondContact NE-OD1 2.93Å; R49-D51 IonicContact NE-OD2 3.6Å; R49-D51 PolarHBondContact NE-OD2 3.43Å; R49-D51 VanDerWaalsContact NE-OD2 3.15Å; R49-D51 IonicContact NH2-OD1 2.88Å; R49-D51 IonicContact NH2-OD2 3.74Å; R49-D51 PolarHBondContact NH2-OD2 3.34Å; D51-K53 VanDerWaalsContact C-N 3.28Å; D51-K53 WeakPolarHBondContact O-CG 3.1Å; D51-K53 PolarHBondContact O-N 3.1Å; D51-Q71 HydrophobicContact CB-CG 4.38Å; D51-D73 WeakPolarHBondContact CA-O 3.47Å; D51-D73 VanDerWaalsContact CB-O 3.31Å; D51-D73 WeakPolarHBondContact CB-O 3.5Å; D51-D73 WeakPolarHBondContact CB-OD1 3.44Å |
| 52 | Y | 94.5 | Very high | 94 | Very high | 157 Ų | 157 | 60.7 Ų | 60.7 | 62% | 0.616 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 40.6 | -179.8 | -59.9 | -93.6 | 0 | 0 | 0 | 113.6 | D73 N74 | Y52-D73 PolarHBondContact N-O 2.99Å; Y52-N74 VanDerWaalsContact CA-O 3.3Å; Y52-N74 WeakPolarHBondContact CA-O 3.47Å; Y52-N74 HydrophobicContact CD1-CB 3.59Å; Y52-N74 HydrophobicContact CD2-CB 3.87Å; Y52-N74 HydrophobicContact CE1-CB 3.48Å; Y52-N74 VanDerWaalsContact CE1-CB 3.48Å; Y52-N74 VanDerWaalsContact CE1-CG 3.47Å; Y52-N74 HydrophobicContact CE2-CB 3.74Å; Y52-N74 HydrophobicContact CG-CB 3.8Å; Y52-N74 VanDerWaalsContact CZ-ND2 3.33Å; Y52-N74 PolarHBondContact N-O 2.85Å; Y52-N74 PolarHBondContact OH-ND2 2.8Å; Y52-N74 VanDerWaalsContact OH-ND2 3.15Å; Y52-N74 PolarHBondContact OH-OD1 3.41Å |
| 53 | K | 95.4 | Very high | 94.1 | Very high | 76 Ų | 76 | 60.2 Ų | 60.2 | 33% | 0.33 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -106.3 | 0.3 | -178.5 | -63.2 | -53.6 | -176.8 | 176.1 | 0 | 114.1 | T11 L17 L50 D51 I55 N75 | T11-K53 WeakPolarHBondContact CB-O 3.39Å; T11-K53 PolarHBondContact OG1-O 2.95Å; L17-K53 HydrophobicContact CD1-CD 3.9Å; L17-K53 HydrophobicContact CD1-CG 4.22Å; L50-K53 WeakPolarHBondContact O-CG 3.43Å; D51-K53 VanDerWaalsContact C-N 3.28Å; D51-K53 WeakPolarHBondContact O-CG 3.1Å; D51-K53 PolarHBondContact O-N 3.1Å; K53-I55 HydrophobicContact CB-CD1 3.6Å; K53-I55 HydrophobicContact CB-CG1 3.67Å; K53-I55 HydrophobicContact CG-CD1 4.26Å; K53-I55 PolarHBondContact O-N 3.37Å; K53-N75 WeakPolarHBondContact CA-OD1 3.42Å; K53-N75 PolarHBondContact N-OD1 3.41Å |
| 54 | N | 95.1 | Very high | 94.3 | Very high | 48 Ų | 48 | 56.3 Ų | 56.3 | 26% | 0.257 | 26% | 0.263 | S | S | . | . | trans | 57.4 | 34.4 | -174.9 | -160.3 | 41.9 | 0 | 0 | 0 | 112.5 | Y8 E9 P10 T11 N75 I76 | Y8-N54 PolarHBondContact O-ND2 3.23Å; E9-N54 PolarHBondContact O-ND2 3.37Å; P10-N54 CarbonylContact C-O 3.56Å; P10-N54 WeakPolarHBondContact CA-O 3.49Å; T11-N54 PolarHBondContact N-O 3.31Å; N54-N75 PolarHBondContact N-OD1 3.1Å; N54-I76 WeakPolarHBondContact OD1-CD1 3.36Å | ||
| 55 | I | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -75.8 | 130.2 | -179.9 | -66 | 162.5 | 0 | 0 | 0 | 109.7 | I13 L17 L50 K53 K57 L72 N75 I76 I77 | I13-I55 HydrophobicContact CD1-CD1 4.13Å; I13-I55 HydrophobicContact CD1-CG2 4.08Å; I13-I55 HydrophobicContact CG1-CD1 3.83Å; I13-I55 HydrophobicContact CG1-CG1 4.14Å; I13-I55 HydrophobicContact CG1-CG2 4.02Å; L17-I55 HydrophobicContact CD2-CD1 4.3Å; L50-I55 HydrophobicContact CB-CD1 3.89Å; L50-I55 HydrophobicContact CD1-CD1 4.42Å; K53-I55 HydrophobicContact CB-CD1 3.6Å; K53-I55 HydrophobicContact CB-CG1 3.67Å; K53-I55 HydrophobicContact CG-CD1 4.26Å; K53-I55 PolarHBondContact O-N 3.37Å; I55-K57 VanDerWaalsContact CG2-O 3.25Å; I55-K57 WeakPolarHBondContact CG2-O 3.46Å; I55-L72 HydrophobicContact CD1-CD2 4.09Å; I55-N75 HydrophobicContact CB-CB 4.17Å; I55-N75 PolarHBondContact N-OD1 2.89Å; I55-I76 CarbonylContact O-C 3.22Å; I55-I76 VanDerWaalsContact O-CG1 3.28Å; I55-I76 WeakPolarHBondContact O-CG1 3.27Å; I55-I76 PolarHBondContact O-N 3.19Å; I55-I77 HydrophobicContact CG2-CD1 4.39Å; I55-I77 HydrophobicContact CG2-CG1 4.12Å; I55-I77 WeakPolarHBondContact O-CG1 3.34Å; I55-I77 PolarHBondContact O-N 3.16Å |
| 56 | L | 95.7 | Very high | 94.6 | Very high | 68 Ų | 68 | 58.8 Ų | 58.8 | 36% | 0.356 | 27% | 0.273 | S | S | . | . | trans | -96.8 | -33.5 | 175.3 | 176.6 | 65.9 | 0 | 0 | 0 | 113.1 | P10 I76 I77 E78 | P10-L56 HydrophobicContact CB-CB 3.66Å; P10-L56 HydrophobicContact CB-CD2 4.36Å; P10-L56 HydrophobicContact CG-CB 4.11Å; P10-L56 HydrophobicContact CG-CD2 4.03Å; L56-I76 HydrophobicContact CB-CD1 4.18Å; L56-I76 HydrophobicContact CB-CG1 4.14Å; L56-I76 HydrophobicContact CD1-CD1 4.37Å; L56-I76 HydrophobicContact CD1-CG1 4.36Å; L56-I76 WeakPolarHBondContact CD1-O 3.42Å; L56-I77 WeakPolarHBondContact O-CA 3.37Å; L56-E78 HydrophobicContact CD1-CG 4.06Å | ||
| 57 | K | 96.3 | Very high | 94.8 | Very high | 97 Ų | 97 | 55.8 Ų | 55.8 | 42% | 0.422 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -133.8 | 134.4 | -176.8 | 174.6 | 169.2 | 174.2 | 122.5 | 0 | 110.1 | I55 D59 E81 | I55-K57 VanDerWaalsContact CG2-O 3.25Å; I55-K57 WeakPolarHBondContact CG2-O 3.46Å; K57-D59 HydrophobicContact CG-CB 4.49Å; K57-E81 VanDerWaalsContact CD-OE1 3.26Å; K57-E81 WeakPolarHBondContact CD-OE1 3.34Å; K57-E81 WeakPolarHBondContact CE-OE1 3.44Å; K57-E81 WeakPolarHBondContact CG-OE1 3.19Å; K57-E81 IonicContact NZ-OE1 2.69Å; K57-E81 PolarHBondContact NZ-OE1 3.46Å; K57-E81 IonicContact NZ-OE2 3.56Å; K57-E81 PolarHBondContact NZ-OE2 3.47Å |
| 58 | I | 96 | Very high | 94.9 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -81.4 | 118.7 | 172 | -50.3 | 166 | 0 | 0 | 0 | 107.6 | I13 L61 L72 I77 E81 I83 L94 | I13-I58 HydrophobicContact CD1-CG2 4.37Å; I58-L61 HydrophobicContact CG2-CD1 3.65Å; I58-L61 HydrophobicContact CG2-CG 4.36Å; I58-L72 HydrophobicContact CD1-CD1 3.79Å; I58-L72 HydrophobicContact CG1-CD1 3.96Å; I58-L72 HydrophobicContact CG2-CD1 4.31Å; I58-I77 HydrophobicContact CD1-CD1 4.18Å; I58-I77 HydrophobicContact CD1-CG2 4.14Å; I58-I77 HydrophobicContact CG1-CD1 3.79Å; I58-I77 HydrophobicContact CG1-CG1 4.31Å; I58-I77 HydrophobicContact CG1-CG2 4.1Å; I58-E81 VanDerWaalsContact CB-O 3.32Å; I58-E81 WeakPolarHBondContact CB-O 3.46Å; I58-I83 HydrophobicContact CG2-CG2 3.55Å; I58-L94 HydrophobicContact CD1-CD2 3.95Å | ||
| 59 | D | 92.5 | Very high | 95 | Very high | 73 Ų | 73 | 57.6 Ų | 57.6 | 39% | 0.39 | 26% | 0.264 | S | S | . | . | trans | -154.3 | 172.2 | -179.6 | -157.1 | -8.9 | 0 | 0 | 0 | 109.5 | I13 K57 L61 | I13-D59 WeakPolarHBondContact CB-O 3.41Å; I13-D59 WeakPolarHBondContact CG2-O 3.17Å; K57-D59 HydrophobicContact CG-CB 4.49Å; D59-L61 PolarHBondContact O-N 3.32Å; D59-L61 VanDerWaalsContact O-N 3.16Å | ||
| 60 | N | 92.3 | Very high | 95.1 | Very high | 59 Ų | 59 | 52.5 Ų | 52.5 | 32% | 0.316 | 25% | 0.245 | S | C | . | . | S | Bend | trans | 59.9 | 23.9 | 175.5 | -63.6 | -48 | 0 | 0 | 0 | 115.1 | I13 | I13-N60 HydrophobicContact CG2-CB 4.42Å; I13-N60 VanDerWaalsContact O-CB 3.25Å; I13-N60 WeakPolarHBondContact O-CB 3.2Å; I13-N60 PolarHBondContact O-ND2 3.32Å |
| 61 | L | 94.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | trans | -94.9 | 3.8 | 174.5 | -59.3 | -173.5 | 0 | 0 | 0 | 113.7 | I13 L18 L48 L50 I58 D59 A63 F64 L70 I83 H85 L86 | I13-L61 HydrophobicContact CG2-CD2 4.15Å; L18-L61 HydrophobicContact CD2-CD2 3.88Å; L48-L61 HydrophobicContact CD2-CD2 3.69Å; L50-L61 HydrophobicContact CD1-CD2 4.43Å; I58-L61 HydrophobicContact CG2-CD1 3.65Å; I58-L61 HydrophobicContact CG2-CG 4.36Å; D59-L61 PolarHBondContact O-N 3.32Å; D59-L61 VanDerWaalsContact O-N 3.16Å; L61-A63 PolarHBondContact O-N 3.26Å; L61-A63 VanDerWaalsContact O-N 3.16Å; L61-F64 HydrophobicContact CB-CD2 4.38Å; L61-F64 HydrophobicContact CD2-CD2 4.12Å; L61-F64 HydrophobicContact CD2-CE2 4.06Å; L61-F64 PolarHBondContact O-N 3.11Å; L61-F64 VanDerWaalsContact O-N 3.11Å; L61-L70 HydrophobicContact CD1-CD1 4.32Å; L61-L70 HydrophobicContact CD1-CD2 3.85Å; L61-I83 HydrophobicContact CD1-CG2 4.05Å; L61-H85 PolarHBondContact O-NE2 2.97Å; L61-L86 HydrophobicContact CD1-CD1 4.49Å | ||
| 62 | W | 92.3 | Very high | 95.3 | Very high | 181 Ų | 181 | 54.2 Ų | 54.2 | 69% | 0.686 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -24.6 | -176.6 | 56 | -99.3 | 0 | 0 | 0 | 114.3 | F64 H85 | W62-F64 VanDerWaalsContact C-N 3.31Å; W62-F64 PolarHBondContact O-N 2.82Å; W62-H85 VanDerWaalsContact CA-NE2 3.3Å; W62-H85 WeakPolarHBondContact CA-NE2 3.48Å; W62-H85 PolarHBondContact N-NE2 3.38Å |
| 63 | A | 91.9 | Very high | 95.5 | Very high | 19 Ų | 19 | 47.4 Ų | 47.4 | 16% | 0.157 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -15.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | F42 E43 L61 K65 | F42-A63 CarbonylContact C-O 3.39Å; F42-A63 HydrophobicContact CB-CB 3.82Å; F42-A63 HydrophobicContact CD2-CB 3.9Å; F42-A63 HydrophobicContact CG-CB 4.38Å; E43-A63 VanDerWaalsContact CA-O 3.27Å; E43-A63 WeakPolarHBondContact CA-O 3.49Å; E43-A63 PolarHBondContact N-O 3.42Å; L61-A63 PolarHBondContact O-N 3.26Å; L61-A63 VanDerWaalsContact O-N 3.16Å; A63-K65 PolarHBondContact O-N 2.98Å; A63-K65 VanDerWaalsContact O-N 3.09Å |
| 64 | F | 94 | Very high | 95.6 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -88.1 | 69.7 | -171.9 | -69.4 | -92.3 | 0 | 0 | 0 | 112.8 | L18 I22 F42 V45 L48 L61 W62 S66 L67 L86 | L18-F64 HydrophobicContact CB-CZ 4.46Å; L18-F64 HydrophobicContact CD1-CE2 3.89Å; L18-F64 HydrophobicContact CD1-CZ 4.33Å; L18-F64 HydrophobicContact CD2-CE2 3.82Å; L18-F64 HydrophobicContact CD2-CZ 3.85Å; L18-F64 HydrophobicContact CG-CE2 4.37Å; L18-F64 HydrophobicContact CG-CZ 4.44Å; I22-F64 HydrophobicContact CD1-CE1 3.97Å; I22-F64 HydrophobicContact CD1-CZ 4.02Å; F42-F64 HydrophobicContact CB-CD1 4.33Å; F42-F64 HydrophobicContact CB-CD2 4.48Å; F42-F64 HydrophobicContact CB-CE1 4.09Å; F42-F64 HydrophobicContact CB-CE2 4.27Å; F42-F64 HydrophobicContact CB-CZ 4.05Å; F42-F64 HydrophobicContact CD1-CE1 4.3Å; F42-F64 AromaticContact CD1-CZ 3.97Å; F42-F64 HydrophobicContact CD1-CZ 3.97Å; F42-F64 HydrophobicContact CD2-CE2 4.37Å; F42-F64 HydrophobicContact CD2-CZ 4.39Å; F42-F64 HydrophobicContact CG-CE1 4.31Å; F42-F64 HydrophobicContact CG-CE2 4.23Å; F42-F64 AromaticContact CG-CZ 3.89Å; F42-F64 HydrophobicContact CG-CZ 3.89Å; F42-F64 WeakPolarHBondContact O-CD1 3.48Å; V45-F64 HydrophobicContact CB-CD1 3.79Å; V45-F64 HydrophobicContact CB-CE1 3.79Å; V45-F64 HydrophobicContact CG1-CD1 4.04Å; V45-F64 HydrophobicContact CG1-CE1 3.86Å; V45-F64 HydrophobicContact CG2-CE1 4.14Å; L48-F64 HydrophobicContact CD1-CE1 4.43Å; L48-F64 HydrophobicContact CD1-CZ 4.45Å; L48-F64 HydrophobicContact CD2-CD1 4.43Å; L48-F64 HydrophobicContact CD2-CE1 4.05Å; L48-F64 HydrophobicContact CD2-CE2 4.2Å; L48-F64 HydrophobicContact CD2-CZ 3.93Å; L61-F64 HydrophobicContact CB-CD2 4.38Å; L61-F64 HydrophobicContact CD2-CD2 4.12Å; L61-F64 HydrophobicContact CD2-CE2 4.06Å; L61-F64 PolarHBondContact O-N 3.11Å; L61-F64 VanDerWaalsContact O-N 3.11Å; W62-F64 VanDerWaalsContact C-N 3.31Å; W62-F64 PolarHBondContact O-N 2.82Å; F64-S66 VanDerWaalsContact C-N 3.3Å; F64-S66 PolarHBondContact O-N 3.02Å; F64-L67 HydrophobicContact CB-CB 4.11Å; F64-L67 HydrophobicContact CB-CD2 4.27Å; F64-L67 HydrophobicContact CD1-CD1 4.33Å; F64-L86 HydrophobicContact CB-CD2 4.11Å; F64-L86 VanDerWaalsContact O-CD2 3.25Å; F64-L86 WeakPolarHBondContact O-CD2 3.48Å | ||
| 65 | K | 91 | Very high | 95.8 | Very high | 134 Ų | 134 | 43.9 Ų | 43.9 | 58% | 0.583 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -25.5 | -175.6 | -61.7 | 175.9 | -172.9 | 163 | 0 | 114.4 | E43 A63 H88 | E43-K65 HydrophobicContact CB-CB 4.45Å; E43-K65 HydrophobicContact CB-CD 4.29Å; E43-K65 HydrophobicContact CB-CG 4.5Å; E43-K65 IonicContact OE2-NZ 3.57Å; A63-K65 PolarHBondContact O-N 2.98Å; A63-K65 VanDerWaalsContact O-N 3.09Å; K65-H88 PolarHBondContact O-CD2 3.45Å |
| 66 | S | 95 | Very high | 95.8 | Very high | 45 Ų | 45 | 46.2 Ų | 46.2 | 32% | 0.315 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | 16.8 | -175.6 | -52 | 0 | 0 | 0 | 0 | 114.2 | E43 V45 F64 V68 | E43-S66 WeakPolarHBondContact O-CB 3.1Å; E43-S66 PolarHBondContact O-N 3.09Å; E43-S66 PolarHBondContact O-OG 3.42Å; V45-S66 CarbonylContact O-C 3.6Å; F64-S66 VanDerWaalsContact C-N 3.3Å; F64-S66 PolarHBondContact O-N 3.02Å; S66-V68 PolarHBondContact O-N 2.96Å |
| 67 | L | 97.3 | Very high | 95.9 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | trans | -68.3 | 126.2 | -173.1 | -160.6 | 61.8 | 0 | 0 | 0 | 111.7 | V45 L48 F64 L70 L86 H88 L89 | V45-L67 HydrophobicContact CG1-CD1 4.27Å; V45-L67 WeakPolarHBondContact O-CA 3.49Å; V45-L67 PolarHBondContact O-N 3.18Å; L48-L67 HydrophobicContact CB-CD1 3.7Å; L48-L67 HydrophobicContact CB-CD2 4.18Å; L48-L67 HydrophobicContact CD2-CD2 4.45Å; F64-L67 HydrophobicContact CB-CB 4.11Å; F64-L67 HydrophobicContact CB-CD2 4.27Å; F64-L67 HydrophobicContact CD1-CD1 4.33Å; L67-L70 HydrophobicContact CD2-CB 4.08Å; L67-L70 HydrophobicContact CD2-CD1 4.22Å; L67-L70 HydrophobicContact CD2-CD2 4.44Å; L67-L70 HydrophobicContact CD2-CG 4.48Å; L67-L86 HydrophobicContact CB-CD2 4.2Å; L67-L86 HydrophobicContact CD2-CD1 3.98Å; L67-L86 HydrophobicContact CD2-CD2 4.32Å; L67-H88 CarbonylContact O-C 3.53Å; L67-L89 HydrophobicContact CB-CD1 4.49Å; L67-L89 HydrophobicContact CD2-CD1 4.38Å; L67-L89 HydrophobicContact CG-CD1 4.1Å; L67-L89 WeakPolarHBondContact O-CA 3.25Å; L67-L89 PolarHBondContact O-N 3.41Å; L67-L89 VanDerWaalsContact O-N 3.17Å | ||
| 68 | V | 98.3 | Very high | 96 | Very high | 37 Ų | 37 | 43.5 Ų | 43.5 | 22% | 0.224 | 21% | 0.21 | C | C | . | . | trans | -108.8 | -35.2 | -179.4 | 178.8 | 0 | 0 | 0 | 0 | 111.3 | T46 S66 R90 W91 | T46-V68 HydrophobicContact CG2-CG2 4.49Å; T46-V68 WeakPolarHBondContact O-CA 3.38Å; T46-V68 WeakPolarHBondContact O-CB 3.31Å; T46-V68 PolarHBondContact O-N 2.96Å; S66-V68 PolarHBondContact O-N 2.96Å; V68-R90 HydrophobicContact CG1-CB 3.97Å; V68-R90 HydrophobicContact CG1-CG 3.97Å; V68-R90 PolarHBondContact O-N 3.18Å; V68-W91 PolarHBondContact O-N 3.18Å; V68-W91 VanDerWaalsContact O-N 3.1Å | ||
| 69 | K | 98.4 | Very high | 96.1 | Very high | 92 Ų | 92 | 49.4 Ų | 49.4 | 40% | 0.4 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 127.6 | 177.5 | -51.4 | -159.4 | -170.4 | 170.9 | 0 | 111.6 | T46 H47 L48 W91 | T46-K69 PolarHBondContact O-N 3.23Å; H47-K69 WeakPolarHBondContact CA-O 3.43Å; H47-K69 VanDerWaalsContact CD2-CD 3.48Å; H47-K69 WeakPolarHBondContact CD2-CD 3.45Å; H47-K69 WeakPolarHBondContact NE2-CD 3.39Å; H47-K69 WeakPolarHBondContact NE2-CE 3.42Å; L48-K69 PolarHBondContact N-O 3.27Å; K69-W91 WeakPolarHBondContact CA-O 3.47Å; K69-W91 HydrophobicContact CB-CB 4.2Å; K69-W91 HydrophobicContact CB-CE3 4.31Å; K69-W91 HydrophobicContact CD-CB 4.06Å; K69-W91 HydrophobicContact CD-CG 4.33Å; K69-W91 HydrophobicContact CG-CB 3.85Å |
| 70 | L | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 119.3 | 176.9 | 178 | 56.5 | 0 | 0 | 0 | 109.5 | L48 L61 L67 L72 I83 L86 L89 W91 L92 D93 | L48-L70 HydrophobicContact CB-CD1 4.2Å; L48-L70 HydrophobicContact CD2-CD1 4.1Å; L48-L70 HydrophobicContact CG-CD1 4.24Å; L61-L70 HydrophobicContact CD1-CD1 4.32Å; L61-L70 HydrophobicContact CD1-CD2 3.85Å; L67-L70 HydrophobicContact CD2-CB 4.08Å; L67-L70 HydrophobicContact CD2-CD1 4.22Å; L67-L70 HydrophobicContact CD2-CD2 4.44Å; L67-L70 HydrophobicContact CD2-CG 4.48Å; L70-L72 HydrophobicContact CD1-CD1 4.09Å; L70-L72 HydrophobicContact CD1-CG 4.02Å; L70-L72 HydrophobicContact CD2-CD1 3.73Å; L70-L72 HydrophobicContact CG-CD1 3.79Å; L70-L72 HydrophobicContact CG-CG 4.08Å; L70-I83 HydrophobicContact CD2-CG2 3.98Å; L70-L86 HydrophobicContact CD2-CD1 3.9Å; L70-L89 HydrophobicContact CB-CD1 3.72Å; L70-L89 HydrophobicContact CB-CD2 4.32Å; L70-W91 PolarHBondContact N-O 3.42Å; L70-L92 HydrophobicContact CB-CD1 4.06Å; L70-L92 HydrophobicContact CD2-CD1 4.03Å; L70-L92 HydrophobicContact CG-CD1 4.03Å; L70-L92 WeakPolarHBondContact O-CA 3.16Å; L70-D93 PolarHBondContact O-N 3.25Å; L70-D93 VanDerWaalsContact O-N 3.09Å |
| 71 | Q | 98.2 | Very high | 96.5 | Very high | 51 Ų | 51 | 46.5 Ų | 46.5 | 24% | 0.238 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 114.7 | 179.4 | -174 | 177.3 | -2.4 | 0 | 0 | 109.4 | L48 R49 L50 D51 D73 W91 | L48-Q71 PolarHBondContact O-N 3.44Å; R49-Q71 HydrophobicContact CG-CB 4.46Å; L50-Q71 CarbonylContact C-O 3.27Å; L50-Q71 WeakPolarHBondContact CA-O 3.3Å; L50-Q71 PolarHBondContact N-O 2.89Å; D51-Q71 HydrophobicContact CB-CG 4.38Å; Q71-D73 VanDerWaalsContact CD-OD1 3.3Å; Q71-D73 WeakPolarHBondContact CG-OD1 3.42Å; Q71-D73 PolarHBondContact NE2-OD1 3.22Å; Q71-W91 HydrophobicContact CB-CZ3 3.87Å; Q71-W91 HydrophobicContact CG-CH2 4.35Å; Q71-W91 HydrophobicContact CG-CZ3 4.18Å |
| 72 | L | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -129.2 | 19.2 | -176.4 | -79.1 | 164.9 | 0 | 0 | 0 | 111.8 | L50 I55 I58 L70 N75 I77 D93 L94 N97 | L50-L72 HydrophobicContact CB-CD2 3.7Å; L50-L72 HydrophobicContact CD1-CD2 4.01Å; I55-L72 HydrophobicContact CD1-CD2 4.09Å; I58-L72 HydrophobicContact CD1-CD1 3.79Å; I58-L72 HydrophobicContact CG1-CD1 3.96Å; I58-L72 HydrophobicContact CG2-CD1 4.31Å; L70-L72 HydrophobicContact CD1-CD1 4.09Å; L70-L72 HydrophobicContact CD1-CG 4.02Å; L70-L72 HydrophobicContact CD2-CD1 3.73Å; L70-L72 HydrophobicContact CG-CD1 3.79Å; L70-L72 HydrophobicContact CG-CG 4.08Å; L72-N75 PolarHBondContact O-ND2 3.32Å; L72-I77 HydrophobicContact CB-CD1 4.03Å; L72-I77 HydrophobicContact CD1-CD1 4.4Å; L72-I77 HydrophobicContact CD2-CD1 4.13Å; L72-I77 HydrophobicContact CG-CD1 4.43Å; L72-D93 CarbonylContact C-O 3.56Å; L72-D93 WeakPolarHBondContact CA-O 3.31Å; L72-D93 PolarHBondContact N-O 2.92Å; L72-L94 HydrophobicContact CB-CD2 3.72Å; L72-L94 HydrophobicContact CD1-CD2 3.87Å; L72-L94 HydrophobicContact CG-CD2 4.46Å; L72-N97 PolarHBondContact O-ND2 3.02Å | ||
| 73 | D | 98.2 | Very high | 96.8 | Very high | 14 Ų | 14 | 39 Ų | 39 | 8% | 0.075 | 20% | 0.2 | C | C | . | . | trans | -68 | 156.8 | -178.8 | 67.4 | -74.3 | 0 | 0 | 0 | 113 | D51 Y52 Q71 N75 D93 S95 | D51-D73 WeakPolarHBondContact CA-O 3.47Å; D51-D73 VanDerWaalsContact CB-O 3.31Å; D51-D73 WeakPolarHBondContact CB-O 3.5Å; D51-D73 WeakPolarHBondContact CB-OD1 3.44Å; Y52-D73 PolarHBondContact N-O 2.99Å; Q71-D73 VanDerWaalsContact CD-OD1 3.3Å; Q71-D73 WeakPolarHBondContact CG-OD1 3.42Å; Q71-D73 PolarHBondContact NE2-OD1 3.22Å; D73-N75 PolarHBondContact O-N 2.97Å; D73-N75 PolarHBondContact O-ND2 2.97Å; D73-D93 PolarHBondContact N-O 3.45Å; D73-S95 CarbonylContact C-O 3.22Å; D73-S95 WeakPolarHBondContact CA-O 3.26Å; D73-S95 WeakPolarHBondContact CB-O 3.27Å | ||
| 74 | N | 98.2 | Very high | 96.9 | Very high | 40 Ų | 40 | 41.6 Ų | 41.6 | 21% | 0.214 | 21% | 0.211 | C | C | . | . | S | Bend | trans | 58.8 | 47.3 | 179.4 | -66.3 | -85.3 | 0 | 0 | 0 | 113.1 | Y52 S95 F96 | Y52-N74 VanDerWaalsContact CA-O 3.3Å; Y52-N74 WeakPolarHBondContact CA-O 3.47Å; Y52-N74 HydrophobicContact CD1-CB 3.59Å; Y52-N74 HydrophobicContact CD2-CB 3.87Å; Y52-N74 HydrophobicContact CE1-CB 3.48Å; Y52-N74 VanDerWaalsContact CE1-CB 3.48Å; Y52-N74 VanDerWaalsContact CE1-CG 3.47Å; Y52-N74 HydrophobicContact CE2-CB 3.74Å; Y52-N74 HydrophobicContact CG-CB 3.8Å; Y52-N74 VanDerWaalsContact CZ-ND2 3.33Å; Y52-N74 PolarHBondContact N-O 2.85Å; Y52-N74 PolarHBondContact OH-ND2 2.8Å; Y52-N74 VanDerWaalsContact OH-ND2 3.15Å; Y52-N74 PolarHBondContact OH-OD1 3.41Å; N74-S95 PolarHBondContact N-O 3.47Å; N74-F96 WeakPolarHBondContact CA-O 3.49Å; N74-F96 HydrophobicContact CB-CB 4.41Å; N74-F96 WeakPolarHBondContact OD1-CB 3.38Å |
| 75 | N | 97.8 | Very high | 96.9 | Very high | 10 Ų | 10 | 44.9 Ų | 44.9 | 5% | 0.053 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -118.9 | -164.6 | 171.5 | -76.9 | -63.3 | 0 | 0 | 0 | 109.7 | L50 K53 N54 I55 L72 D73 I77 F96 N97 | L50-N75 PolarHBondContact O-ND2 3.09Å; K53-N75 WeakPolarHBondContact CA-OD1 3.42Å; K53-N75 PolarHBondContact N-OD1 3.41Å; N54-N75 PolarHBondContact N-OD1 3.1Å; I55-N75 HydrophobicContact CB-CB 4.17Å; I55-N75 PolarHBondContact N-OD1 2.89Å; L72-N75 PolarHBondContact O-ND2 3.32Å; D73-N75 PolarHBondContact O-N 2.97Å; D73-N75 PolarHBondContact O-ND2 2.97Å; N75-I77 HydrophobicContact CB-CD1 4.11Å; N75-I77 HydrophobicContact CB-CG1 4.08Å; N75-F96 PolarHBondContact N-O 3.34Å; N75-N97 VanDerWaalsContact CA-OD1 3.31Å; N75-N97 WeakPolarHBondContact CA-OD1 3.35Å; N75-N97 WeakPolarHBondContact CB-OD1 3.36Å; N75-N97 PolarHBondContact O-OD1 3.45Å |
| 76 | I | 97.3 | Very high | 97.2 | Very high | 49 Ų | 49 | 38.6 Ų | 38.6 | 25% | 0.251 | 20% | 0.199 | S | C | . | . | trans | -121.3 | 27.2 | 178.1 | 56.6 | 169.5 | 0 | 0 | 0 | 111.6 | P10 N54 I55 L56 E78 N97 N98 | P10-I76 HydrophobicContact CB-CD1 4.1Å; P10-I76 HydrophobicContact CG-CD1 3.95Å; N54-I76 WeakPolarHBondContact OD1-CD1 3.36Å; I55-I76 CarbonylContact O-C 3.22Å; I55-I76 VanDerWaalsContact O-CG1 3.28Å; I55-I76 WeakPolarHBondContact O-CG1 3.27Å; I55-I76 PolarHBondContact O-N 3.19Å; L56-I76 HydrophobicContact CB-CD1 4.18Å; L56-I76 HydrophobicContact CB-CG1 4.14Å; L56-I76 HydrophobicContact CD1-CD1 4.37Å; L56-I76 HydrophobicContact CD1-CG1 4.36Å; L56-I76 WeakPolarHBondContact CD1-O 3.42Å; I76-E78 PolarHBondContact O-N 2.56Å; I76-N97 PolarHBondContact N-OD1 3.07Å; I76-N98 PolarHBondContact O-ND2 3.19Å | ||
| 77 | I | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -62.6 | 131.6 | -176.1 | -60.1 | 163.1 | 0 | 0 | 0 | 110.4 | I55 L56 I58 L72 N75 Q79 L94 N97 N98 I99 | I55-I77 HydrophobicContact CG2-CD1 4.39Å; I55-I77 HydrophobicContact CG2-CG1 4.12Å; I55-I77 WeakPolarHBondContact O-CG1 3.34Å; I55-I77 PolarHBondContact O-N 3.16Å; L56-I77 WeakPolarHBondContact O-CA 3.37Å; I58-I77 HydrophobicContact CD1-CD1 4.18Å; I58-I77 HydrophobicContact CD1-CG2 4.14Å; I58-I77 HydrophobicContact CG1-CD1 3.79Å; I58-I77 HydrophobicContact CG1-CG1 4.31Å; I58-I77 HydrophobicContact CG1-CG2 4.1Å; L72-I77 HydrophobicContact CB-CD1 4.03Å; L72-I77 HydrophobicContact CD1-CD1 4.4Å; L72-I77 HydrophobicContact CD2-CD1 4.13Å; L72-I77 HydrophobicContact CG-CD1 4.43Å; N75-I77 HydrophobicContact CB-CD1 4.11Å; N75-I77 HydrophobicContact CB-CG1 4.08Å; I77-Q79 WeakPolarHBondContact CG2-O 3.45Å; I77-L94 HydrophobicContact CD1-CD2 3.99Å; I77-N97 HydrophobicContact CB-CB 4.23Å; I77-N97 VanDerWaalsContact CB-OD1 3.31Å; I77-N97 WeakPolarHBondContact CB-OD1 3.5Å; I77-N97 WeakPolarHBondContact CG1-OD1 3.43Å; I77-N97 PolarHBondContact N-OD1 3.12Å; I77-N98 CarbonylContact O-C 3.49Å; I77-N98 VanDerWaalsContact O-C 3.3Å; I77-N98 WeakPolarHBondContact O-CA 3.35Å; I77-N98 PolarHBondContact O-N 3.36Å; I77-I99 HydrophobicContact CG2-CD1 4.5Å; I77-I99 HydrophobicContact CG2-CG1 4.31Å; I77-I99 PolarHBondContact O-N 3.4Å | ||
| 78 | E | 97.5 | Very high | 97.3 | Very high | 108 Ų | 108 | 43.9 Ų | 43.9 | 51% | 0.505 | 22% | 0.222 | S | C | . | . | trans | -103 | -25.3 | -179.2 | -65.2 | -177.2 | 167.2 | 0 | 0 | 113.2 | L56 I76 N98 I99 | L56-E78 HydrophobicContact CD1-CG 4.06Å; I76-E78 PolarHBondContact O-N 2.56Å; E78-N98 HydrophobicContact CG-CB 4Å; E78-I99 WeakPolarHBondContact O-CA 3.41Å | ||
| 79 | Q | 97.9 | Very high | 97.3 | Very high | 123 Ų | 123 | 42.1 Ų | 42.1 | 58% | 0.575 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -138.6 | 142.1 | -176.3 | -62.8 | -177.9 | 14.2 | 0 | 0 | 110.9 | I77 E81 | I77-Q79 WeakPolarHBondContact CG2-O 3.45Å; Q79-E81 PolarHBondContact O-N 2.97Å |
| 80 | I | 98 | Very high | 97.3 | Very high | 8 Ų | 8 | 43.7 Ų | 43.7 | 4% | 0.041 | 22% | 0.215 | C | C | . | . | trans | -86.1 | 101.1 | 172.6 | -52.7 | 178 | 0 | 0 | 0 | 107.5 | I83 L94 I99 D103 L105 L116 | I80-I83 HydrophobicContact CG2-CD1 3.65Å; I80-I83 HydrophobicContact CG2-CG1 4.19Å; I80-L94 HydrophobicContact CD1-CD1 3.97Å; I80-L94 HydrophobicContact CG1-CD1 3.98Å; I80-L94 HydrophobicContact CG2-CD1 4.33Å; I80-I99 HydrophobicContact CD1-CD1 4.32Å; I80-I99 HydrophobicContact CD1-CG2 4.17Å; I80-I99 HydrophobicContact CG1-CD1 3.83Å; I80-I99 HydrophobicContact CG1-CG1 4.34Å; I80-I99 HydrophobicContact CG1-CG2 3.98Å; I80-D103 WeakPolarHBondContact CB-O 3.31Å; I80-D103 WeakPolarHBondContact CG2-O 3.34Å; I80-L105 HydrophobicContact CD1-CD1 4.49Å; I80-L105 HydrophobicContact CG2-CD2 3.72Å; I80-L105 HydrophobicContact CG2-CG 4.27Å; I80-L116 HydrophobicContact CD1-CD2 3.99Å | ||
| 81 | E | 96.1 | Very high | 97.3 | Very high | 64 Ų | 64 | 46.8 Ų | 46.8 | 30% | 0.299 | 23% | 0.227 | S | C | . | . | trans | -144.1 | 170.2 | 178.7 | 56 | 173.5 | 176.1 | 0 | 0 | 110.2 | K57 I58 Q79 I83 | K57-E81 VanDerWaalsContact CD-OE1 3.26Å; K57-E81 WeakPolarHBondContact CD-OE1 3.34Å; K57-E81 WeakPolarHBondContact CE-OE1 3.44Å; K57-E81 WeakPolarHBondContact CG-OE1 3.19Å; K57-E81 IonicContact NZ-OE1 2.69Å; K57-E81 PolarHBondContact NZ-OE1 3.46Å; K57-E81 IonicContact NZ-OE2 3.56Å; K57-E81 PolarHBondContact NZ-OE2 3.47Å; I58-E81 VanDerWaalsContact CB-O 3.32Å; I58-E81 WeakPolarHBondContact CB-O 3.46Å; Q79-E81 PolarHBondContact O-N 2.97Å; E81-I83 VanDerWaalsContact C-N 3.25Å; E81-I83 PolarHBondContact O-N 3.2Å | ||
| 82 | G | 95.2 | Very high | 97.3 | Very high | 25 Ų | 25 | 44.3 Ų | 44.3 | 26% | 0.258 | 22% | 0.215 | S | C | . | . | S | Bend | trans | 67.5 | 19.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | H85 | G82-H85 PolarHBondContact O-CE1 3.3Å; G82-H85 VanDerWaalsContact O-CE1 3.26Å |
| 83 | I | 96.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -129.1 | 0.2 | 178.4 | 60.4 | 170.4 | 0 | 0 | 0 | 113.8 | I58 L61 L70 I80 E81 H85 L86 L92 L105 L108 | I58-I83 HydrophobicContact CG2-CG2 3.55Å; L61-I83 HydrophobicContact CD1-CG2 4.05Å; L70-I83 HydrophobicContact CD2-CG2 3.98Å; I80-I83 HydrophobicContact CG2-CD1 3.65Å; I80-I83 HydrophobicContact CG2-CG1 4.19Å; E81-I83 VanDerWaalsContact C-N 3.25Å; E81-I83 PolarHBondContact O-N 3.2Å; I83-H85 PolarHBondContact O-N 2.93Å; I83-L86 HydrophobicContact CB-CD1 3.85Å; I83-L86 HydrophobicContact CB-CG 4.39Å; I83-L86 HydrophobicContact CG2-CD1 3.88Å; I83-L86 VanDerWaalsContact O-CB 3.3Å; I83-L86 WeakPolarHBondContact O-CB 3.39Å; I83-L86 WeakPolarHBondContact O-CG 3.39Å; I83-L86 PolarHBondContact O-N 3.43Å; I83-L92 HydrophobicContact CD1-CD2 3.74Å; I83-L105 HydrophobicContact CD1-CD2 4.01Å; I83-L108 HydrophobicContact CD1-CD1 4.09Å; I83-L108 WeakPolarHBondContact O-CD2 3.4Å | ||
| 84 | D | 94.2 | Very high | 97.4 | Very high | 73 Ų | 73 | 44.7 Ų | 44.7 | 39% | 0.39 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -25.4 | -175.7 | 58.9 | -60 | 0 | 0 | 0 | 113.3 | L86 N107 | D84-L86 VanDerWaalsContact C-N 3.31Å; D84-N107 WeakPolarHBondContact O-CB 3.43Å |
| 85 | H | 94.7 | Very high | 97.4 | Very high | 68 Ų | 68 | 43 Ų | 43 | 32% | 0.315 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -9.3 | 174.6 | 62.4 | -82.6 | 0 | 0 | 0 | 114 | L61 W62 G82 I83 T87 | L61-H85 PolarHBondContact O-NE2 2.97Å; W62-H85 VanDerWaalsContact CA-NE2 3.3Å; W62-H85 WeakPolarHBondContact CA-NE2 3.48Å; W62-H85 PolarHBondContact N-NE2 3.38Å; G82-H85 PolarHBondContact O-CE1 3.3Å; G82-H85 VanDerWaalsContact O-CE1 3.26Å; I83-H85 PolarHBondContact O-N 2.93Å; H85-T87 PolarHBondContact O-N 3.43Å |
| 86 | L | 97.1 | Very high | 97.4 | Very high | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | trans | -80.2 | 55.6 | -177.8 | -57.6 | 179.1 | 0 | 0 | 0 | 112.2 | L61 F64 L67 L70 I83 D84 H88 L89 L108 | L61-L86 HydrophobicContact CD1-CD1 4.49Å; F64-L86 HydrophobicContact CB-CD2 4.11Å; F64-L86 VanDerWaalsContact O-CD2 3.25Å; F64-L86 WeakPolarHBondContact O-CD2 3.48Å; L67-L86 HydrophobicContact CB-CD2 4.2Å; L67-L86 HydrophobicContact CD2-CD1 3.98Å; L67-L86 HydrophobicContact CD2-CD2 4.32Å; L70-L86 HydrophobicContact CD2-CD1 3.9Å; I83-L86 HydrophobicContact CB-CD1 3.85Å; I83-L86 HydrophobicContact CB-CG 4.39Å; I83-L86 HydrophobicContact CG2-CD1 3.88Å; I83-L86 VanDerWaalsContact O-CB 3.3Å; I83-L86 WeakPolarHBondContact O-CB 3.39Å; I83-L86 WeakPolarHBondContact O-CG 3.39Å; I83-L86 PolarHBondContact O-N 3.43Å; D84-L86 VanDerWaalsContact C-N 3.31Å; L86-H88 PolarHBondContact O-N 3.01Å; L86-L89 HydrophobicContact CB-CB 4.23Å; L86-L89 WeakPolarHBondContact O-CB 3.32Å; L86-L89 PolarHBondContact O-N 3.24Å; L86-L108 HydrophobicContact CB-CD2 4.17Å; L86-L108 VanDerWaalsContact O-CD2 3.26Å; L86-L108 WeakPolarHBondContact O-CD2 3.47Å | ||
| 87 | T | 96.3 | Very high | 97.5 | Very high | 58 Ų | 58 | 44.6 Ų | 44.6 | 36% | 0.356 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -15.9 | -170.7 | 58.9 | 0 | 0 | 0 | 0 | 114.9 | H85 N110 | H85-T87 PolarHBondContact O-N 3.43Å; T87-N110 PolarHBondContact O-ND2 3.07Å |
| 88 | H | 97.6 | Very high | 97.5 | Very high | 100 Ų | 100 | 46.5 Ų | 46.5 | 46% | 0.463 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -3.8 | 175.4 | -66.3 | -74.4 | 0 | 0 | 0 | 114.2 | K65 L67 L86 R90 | K65-H88 PolarHBondContact O-CD2 3.45Å; L67-H88 CarbonylContact O-C 3.53Å; L86-H88 PolarHBondContact O-N 3.01Å; H88-R90 PolarHBondContact O-N 3.22Å |
| 89 | L | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -64.9 | 130.7 | -176.5 | -158.9 | 73.7 | 0 | 0 | 0 | 111 | L67 L70 L86 L92 L108 N110 L111 | L67-L89 HydrophobicContact CB-CD1 4.49Å; L67-L89 HydrophobicContact CD2-CD1 4.38Å; L67-L89 HydrophobicContact CG-CD1 4.1Å; L67-L89 WeakPolarHBondContact O-CA 3.25Å; L67-L89 PolarHBondContact O-N 3.41Å; L67-L89 VanDerWaalsContact O-N 3.17Å; L70-L89 HydrophobicContact CB-CD1 3.72Å; L70-L89 HydrophobicContact CB-CD2 4.32Å; L86-L89 HydrophobicContact CB-CB 4.23Å; L86-L89 WeakPolarHBondContact O-CB 3.32Å; L86-L89 PolarHBondContact O-N 3.24Å; L89-L92 HydrophobicContact CD2-CB 3.94Å; L89-L92 HydrophobicContact CD2-CD1 4.23Å; L89-L92 HydrophobicContact CD2-CD2 4.26Å; L89-L92 HydrophobicContact CD2-CG 4.37Å; L89-L108 HydrophobicContact CB-CD2 4.38Å; L89-L108 HydrophobicContact CD2-CD1 4.06Å; L89-N110 CarbonylContact O-C 3.58Å; L89-L111 HydrophobicContact CB-CD1 4.46Å; L89-L111 HydrophobicContact CD2-CD1 4.11Å; L89-L111 HydrophobicContact CG-CD1 4.12Å; L89-L111 WeakPolarHBondContact O-CA 3.46Å; L89-L111 PolarHBondContact O-N 3.27Å | ||
| 90 | R | 98.7 | Very high | 97.5 | Very high | 124 Ų | 124 | 40.8 Ų | 40.8 | 47% | 0.468 | 20% | 0.197 | S | C | . | . | trans | -117.1 | -26.1 | 178.4 | -64.2 | -176.2 | -176.2 | -142.2 | 9.7 | 112.9 | V68 H88 E112 D113 | V68-R90 HydrophobicContact CG1-CB 3.97Å; V68-R90 HydrophobicContact CG1-CG 3.97Å; V68-R90 PolarHBondContact O-N 3.18Å; H88-R90 PolarHBondContact O-N 3.22Å; R90-E112 HydrophobicContact CB-CG 4.5Å; R90-E112 WeakPolarHBondContact CD-OE1 3.4Å; R90-E112 IonicContact CZ-OE1 2.81Å; R90-E112 IonicContact NE-OE1 3.79Å; R90-E112 IonicContact NH1-OE1 2.65Å; R90-E112 PolarHBondContact NH1-OE1 2.93Å; R90-E112 WeakPolarHBondContact O-CA 3.38Å; R90-E112 PolarHBondContact O-N 2.7Å; R90-D113 PolarHBondContact O-N 2.9Å | ||
| 91 | W | 98.7 | Very high | 97.5 | Very high | 65 Ų | 65 | 46.8 Ų | 46.8 | 25% | 0.246 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 122.1 | -176.5 | -168.5 | 95.2 | 0 | 0 | 0 | 109.7 | V68 K69 L70 Q71 D93 D113 | V68-W91 PolarHBondContact O-N 3.18Å; V68-W91 VanDerWaalsContact O-N 3.1Å; K69-W91 WeakPolarHBondContact CA-O 3.47Å; K69-W91 HydrophobicContact CB-CB 4.2Å; K69-W91 HydrophobicContact CB-CE3 4.31Å; K69-W91 HydrophobicContact CD-CB 4.06Å; K69-W91 HydrophobicContact CD-CG 4.33Å; K69-W91 HydrophobicContact CG-CB 3.85Å; L70-W91 PolarHBondContact N-O 3.42Å; Q71-W91 HydrophobicContact CB-CZ3 3.87Å; Q71-W91 HydrophobicContact CG-CH2 4.35Å; Q71-W91 HydrophobicContact CG-CZ3 4.18Å; W91-D93 HydrophobicContact CE3-CB 4.28Å; W91-D93 HydrophobicContact CH2-CB 3.14Å; W91-D93 HydrophobicContact CZ2-CB 3.83Å; W91-D93 HydrophobicContact CZ3-CB 3.39Å; W91-D113 WeakPolarHBondContact CA-O 3.47Å; W91-D113 VanDerWaalsContact CD1-OD2 3.24Å; W91-D113 HydrophobicContact CG-CB 4.14Å; W91-D113 VanDerWaalsContact NE1-CG 3.29Å; W91-D113 PolarHBondContact NE1-OD2 3.3Å |
| 92 | L | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 120.8 | 179.9 | 177.8 | 58.1 | 0 | 0 | 0 | 110.1 | L70 I83 L89 L94 L105 L108 L111 D113 L114 T115 | L70-L92 HydrophobicContact CB-CD1 4.06Å; L70-L92 HydrophobicContact CD2-CD1 4.03Å; L70-L92 HydrophobicContact CG-CD1 4.03Å; L70-L92 WeakPolarHBondContact O-CA 3.16Å; I83-L92 HydrophobicContact CD1-CD2 3.74Å; L89-L92 HydrophobicContact CD2-CB 3.94Å; L89-L92 HydrophobicContact CD2-CD1 4.23Å; L89-L92 HydrophobicContact CD2-CD2 4.26Å; L89-L92 HydrophobicContact CD2-CG 4.37Å; L92-L94 HydrophobicContact CD1-CD1 4.11Å; L92-L94 HydrophobicContact CD1-CG 4Å; L92-L94 HydrophobicContact CD2-CD1 3.8Å; L92-L94 HydrophobicContact CG-CD1 3.91Å; L92-L94 HydrophobicContact CG-CG 4.13Å; L92-L105 HydrophobicContact CD2-CD2 3.76Å; L92-L108 HydrophobicContact CD2-CD1 4.3Å; L92-L111 HydrophobicContact CB-CD1 3.83Å; L92-L111 HydrophobicContact CB-CD2 4.44Å; L92-D113 PolarHBondContact N-O 2.76Å; L92-L114 HydrophobicContact CB-CD1 4.26Å; L92-L114 HydrophobicContact CD2-CD1 4Å; L92-L114 HydrophobicContact CG-CD1 4.15Å; L92-T115 PolarHBondContact O-N 3.27Å |
| 93 | D | 98.7 | Very high | 97.7 | Very high | 22 Ų | 22 | 46.4 Ų | 46.4 | 12% | 0.118 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 118.4 | 173.2 | -171.3 | 1.8 | 0 | 0 | 0 | 110.8 | L70 L72 D73 W91 S95 | L70-D93 PolarHBondContact O-N 3.25Å; L70-D93 VanDerWaalsContact O-N 3.09Å; L72-D93 CarbonylContact C-O 3.56Å; L72-D93 WeakPolarHBondContact CA-O 3.31Å; L72-D93 PolarHBondContact N-O 2.92Å; D73-D93 PolarHBondContact N-O 3.45Å; W91-D93 HydrophobicContact CE3-CB 4.28Å; W91-D93 HydrophobicContact CH2-CB 3.14Å; W91-D93 HydrophobicContact CZ2-CB 3.83Å; W91-D93 HydrophobicContact CZ3-CB 3.39Å; D93-S95 WeakPolarHBondContact OD1-CB 3.42Å; D93-S95 PolarHBondContact OD1-N 2.96Å; D93-S95 PolarHBondContact OD1-OG 3.33Å |
| 94 | L | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -123.2 | 22.5 | 179.6 | -76 | 163.9 | 0 | 0 | 0 | 110.2 | I58 L72 I77 I80 L92 N97 I99 T115 L116 N119 | I58-L94 HydrophobicContact CD1-CD2 3.95Å; L72-L94 HydrophobicContact CB-CD2 3.72Å; L72-L94 HydrophobicContact CD1-CD2 3.87Å; L72-L94 HydrophobicContact CG-CD2 4.46Å; I77-L94 HydrophobicContact CD1-CD2 3.99Å; I80-L94 HydrophobicContact CD1-CD1 3.97Å; I80-L94 HydrophobicContact CG1-CD1 3.98Å; I80-L94 HydrophobicContact CG2-CD1 4.33Å; L92-L94 HydrophobicContact CD1-CD1 4.11Å; L92-L94 HydrophobicContact CD1-CG 4Å; L92-L94 HydrophobicContact CD2-CD1 3.8Å; L92-L94 HydrophobicContact CG-CD1 3.91Å; L92-L94 HydrophobicContact CG-CG 4.13Å; L94-N97 PolarHBondContact O-ND2 3.46Å; L94-I99 HydrophobicContact CB-CD1 3.84Å; L94-I99 HydrophobicContact CD1-CD1 4.15Å; L94-I99 HydrophobicContact CD2-CD1 4.21Å; L94-I99 HydrophobicContact CG-CD1 4.31Å; L94-T115 PolarHBondContact N-O 3.14Å; L94-L116 HydrophobicContact CB-CD2 3.65Å; L94-L116 HydrophobicContact CD1-CD2 4Å; L94-L116 HydrophobicContact CG-CD2 4.5Å; L94-N119 PolarHBondContact O-ND2 3.36Å | ||
| 95 | S | 98.6 | Very high | 97.9 | Very high | 4 Ų | 4 | 43.5 Ų | 43.5 | 3% | 0.028 | 20% | 0.204 | C | C | . | . | trans | -63.9 | 155.1 | -178.9 | -57.1 | 0 | 0 | 0 | 0 | 112.6 | D73 N74 D93 N97 T115 Y117 | D73-S95 CarbonylContact C-O 3.22Å; D73-S95 WeakPolarHBondContact CA-O 3.26Å; D73-S95 WeakPolarHBondContact CB-O 3.27Å; N74-S95 PolarHBondContact N-O 3.47Å; D93-S95 WeakPolarHBondContact OD1-CB 3.42Å; D93-S95 PolarHBondContact OD1-N 2.96Å; D93-S95 PolarHBondContact OD1-OG 3.33Å; S95-N97 PolarHBondContact O-N 3.26Å; S95-N97 PolarHBondContact O-ND2 2.96Å; S95-T115 WeakPolarHBondContact OG-CG2 3.46Å; S95-Y117 CarbonylContact C-O 3.2Å; S95-Y117 WeakPolarHBondContact CA-O 3.2Å; S95-Y117 VanDerWaalsContact CB-O 3.23Å; S95-Y117 WeakPolarHBondContact CB-O 3.08Å; S95-Y117 WeakPolarHBondContact OG-CB 3.46Å; S95-Y117 PolarHBondContact OG-N 2.84Å | ||
| 96 | F | 98.5 | Very high | 97.9 | Very high | 85 Ų | 85 | 43.3 Ų | 43.3 | 37% | 0.373 | 20% | 0.204 | S | C | . | . | S | Bend | trans | 56.2 | 50.8 | 178.4 | -54.4 | -92.3 | 0 | 0 | 0 | 112.2 | N74 N75 Y117 N118 | N74-F96 WeakPolarHBondContact CA-O 3.49Å; N74-F96 HydrophobicContact CB-CB 4.41Å; N74-F96 WeakPolarHBondContact OD1-CB 3.38Å; N75-F96 PolarHBondContact N-O 3.34Å; F96-Y117 HydrophobicContact CE2-CD1 4.14Å; F96-Y117 AromaticContact CZ-CD1 3.92Å; F96-Y117 HydrophobicContact CZ-CD1 3.92Å; F96-Y117 HydrophobicContact CZ-CE1 4.1Å; F96-Y117 PolarHBondContact N-O 3Å; F96-N118 VanDerWaalsContact CA-O 3.29Å; F96-N118 WeakPolarHBondContact CA-O 3.32Å; F96-N118 HydrophobicContact CD1-CB 3.9Å; F96-N118 WeakPolarHBondContact CD1-ND2 2.93Å; F96-N118 HydrophobicContact CE1-CB 3.97Å; F96-N118 WeakPolarHBondContact CE1-ND2 3.37Å; F96-N118 HydrophobicContact CG-CB 4.29Å; F96-N118 HydrophobicContact CZ-CB 4.47Å; F96-N118 PolarHBondContact N-O 3.3Å |
| 97 | N | 98.6 | Very high | 97.9 | Very high | 8 Ų | 8 | 47.1 Ų | 47.1 | 4% | 0.043 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -124.4 | -167.4 | 173.7 | -82.1 | -72.4 | 0 | 0 | 0 | 109.8 | L72 N75 I76 I77 L94 S95 I99 N118 N119 | L72-N97 PolarHBondContact O-ND2 3.02Å; N75-N97 VanDerWaalsContact CA-OD1 3.31Å; N75-N97 WeakPolarHBondContact CA-OD1 3.35Å; N75-N97 WeakPolarHBondContact CB-OD1 3.36Å; N75-N97 PolarHBondContact O-OD1 3.45Å; I76-N97 PolarHBondContact N-OD1 3.07Å; I77-N97 HydrophobicContact CB-CB 4.23Å; I77-N97 VanDerWaalsContact CB-OD1 3.31Å; I77-N97 WeakPolarHBondContact CB-OD1 3.5Å; I77-N97 WeakPolarHBondContact CG1-OD1 3.43Å; I77-N97 PolarHBondContact N-OD1 3.12Å; L94-N97 PolarHBondContact O-ND2 3.46Å; S95-N97 PolarHBondContact O-N 3.26Å; S95-N97 PolarHBondContact O-ND2 2.96Å; N97-I99 HydrophobicContact CB-CD1 4.22Å; N97-I99 HydrophobicContact CB-CG1 4.25Å; N97-N118 PolarHBondContact N-O 2.84Å; N97-N119 WeakPolarHBondContact CA-OD1 3.43Å; N97-N119 WeakPolarHBondContact CB-OD1 3.35Å; N97-N119 PolarHBondContact O-OD1 3.16Å |
| 98 | N | 98.2 | Very high | 98 | Very high | 39 Ų | 39 | 44.4 Ų | 44.4 | 21% | 0.209 | 21% | 0.207 | C | C | . | . | trans | -113.6 | 25.9 | 179.6 | -66.1 | -51.6 | 0 | 0 | 0 | 112.8 | I76 I77 E78 E100 N119 R120 | I76-N98 PolarHBondContact O-ND2 3.19Å; I77-N98 CarbonylContact O-C 3.49Å; I77-N98 VanDerWaalsContact O-C 3.3Å; I77-N98 WeakPolarHBondContact O-CA 3.35Å; I77-N98 PolarHBondContact O-N 3.36Å; E78-N98 HydrophobicContact CG-CB 4Å; N98-E100 PolarHBondContact O-N 3.37Å; N98-N119 PolarHBondContact N-OD1 2.83Å; N98-R120 PolarHBondContact OD1-NE 2.72Å; N98-R120 PolarHBondContact OD1-NH2 2.84Å | ||
| 99 | I | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -69.8 | 125.5 | -173.6 | -62 | 162 | 0 | 0 | 0 | 110.7 | I77 E78 I80 L94 N97 K101 L116 N119 R120 I121 | I77-I99 HydrophobicContact CG2-CD1 4.5Å; I77-I99 HydrophobicContact CG2-CG1 4.31Å; I77-I99 PolarHBondContact O-N 3.4Å; E78-I99 WeakPolarHBondContact O-CA 3.41Å; I80-I99 HydrophobicContact CD1-CD1 4.32Å; I80-I99 HydrophobicContact CD1-CG2 4.17Å; I80-I99 HydrophobicContact CG1-CD1 3.83Å; I80-I99 HydrophobicContact CG1-CG1 4.34Å; I80-I99 HydrophobicContact CG1-CG2 3.98Å; L94-I99 HydrophobicContact CB-CD1 3.84Å; L94-I99 HydrophobicContact CD1-CD1 4.15Å; L94-I99 HydrophobicContact CD2-CD1 4.21Å; L94-I99 HydrophobicContact CG-CD1 4.31Å; N97-I99 HydrophobicContact CB-CD1 4.22Å; N97-I99 HydrophobicContact CB-CG1 4.25Å; I99-K101 WeakPolarHBondContact CG2-O 3.28Å; I99-L116 HydrophobicContact CD1-CD2 3.86Å; I99-N119 HydrophobicContact CB-CB 4.31Å; I99-N119 WeakPolarHBondContact CB-OD1 3.42Å; I99-N119 PolarHBondContact N-OD1 3.09Å; I99-R120 CarbonylContact O-C 3.59Å; I99-R120 VanDerWaalsContact O-CA 3.3Å; I99-R120 WeakPolarHBondContact O-CA 3.32Å; I99-R120 PolarHBondContact O-N 2.94Å; I99-I121 HydrophobicContact CG2-CG1 4.38Å; I99-I121 PolarHBondContact O-N 2.97Å | ||
| 100 | E | 98.2 | Very high | 98 | Very high | 112 Ų | 112 | 44.7 Ų | 44.7 | 52% | 0.523 | 21% | 0.214 | S | C | . | . | trans | -97.4 | -26.4 | -180 | -68.3 | -174.9 | 179.6 | 0 | 0 | 113.6 | N98 R120 I121 | N98-E100 PolarHBondContact O-N 3.37Å; E100-R120 HydrophobicContact CG-CB 3.83Å; E100-I121 WeakPolarHBondContact O-CA 3.31Å | ||
| 101 | K | 98 | Very high | 98 | Very high | 133 Ų | 133 | 38.8 Ų | 38.8 | 58% | 0.578 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -137.4 | 144 | -178 | -65.5 | -170.8 | 179.1 | -172.6 | 0 | 111.4 | I99 | I99-K101 WeakPolarHBondContact CG2-O 3.28Š|
| 102 | I | 98 | Very high | 98 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -81.6 | 119.2 | 169.9 | -53.3 | 177.2 | 0 | 0 | 0 | 107 | L105 L116 I121 L124 N126 M127 F136 | I102-L105 HydrophobicContact CG2-CD1 3.63Å; I102-L105 HydrophobicContact CG2-CG 4.47Å; I102-L116 HydrophobicContact CD1-CD1 4.08Å; I102-L116 HydrophobicContact CG1-CD1 4.02Å; I102-I121 HydrophobicContact CD1-CD1 4.35Å; I102-I121 HydrophobicContact CD1-CG2 4.28Å; I102-I121 HydrophobicContact CG1-CD1 3.89Å; I102-I121 HydrophobicContact CG1-CG1 4.4Å; I102-I121 HydrophobicContact CG1-CG2 4.16Å; I102-L124 HydrophobicContact CD1-CD2 4.4Å; I102-N126 WeakPolarHBondContact O-CB 3.03Å; I102-N126 PolarHBondContact O-ND2 2.99Å; I102-M127 HydrophobicContact CD1-CE 3.78Å; I102-M127 HydrophobicContact CD1-SD 3.84Å; I102-M127 HydrophobicContact CG2-CG 3.6Å; I102-M127 HydrophobicContact CG2-SD 3.96Å; I102-F136 HydrophobicContact CD1-CZ 4.17Å | ||
| 103 | D | 96.5 | Very high | 98 | Very high | 81 Ų | 81 | 39.9 Ų | 39.9 | 43% | 0.433 | 20% | 0.201 | S | C | . | . | trans | -156.2 | 176.1 | 178.3 | -159.2 | -4.5 | 0 | 0 | 0 | 109 | I80 L105 Q106 | I80-D103 WeakPolarHBondContact CB-O 3.31Å; I80-D103 WeakPolarHBondContact CG2-O 3.34Å; D103-L105 WeakPolarHBondContact O-CG 3.47Å; D103-L105 PolarHBondContact O-N 3.43Å; D103-L105 VanDerWaalsContact O-N 3.08Å; D103-Q106 PolarHBondContact OD1-NE2 3.01Å | ||
| 104 | G | 96.8 | Very high | 98 | Very high | 12 Ų | 12 | 38.8 Ų | 38.8 | 12% | 0.124 | 20% | 0.195 | C | C | . | . | S | Bend | trans | 67.7 | 9.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 105 | L | 97.9 | Very high | 98 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -101.8 | -0.9 | -179 | -56.2 | -179.8 | 0 | 0 | 0 | 113.3 | I80 I83 L92 I102 D103 N107 L108 L114 M127 L130 | I80-L105 HydrophobicContact CD1-CD1 4.49Å; I80-L105 HydrophobicContact CG2-CD2 3.72Å; I80-L105 HydrophobicContact CG2-CG 4.27Å; I83-L105 HydrophobicContact CD1-CD2 4.01Å; L92-L105 HydrophobicContact CD2-CD2 3.76Å; I102-L105 HydrophobicContact CG2-CD1 3.63Å; I102-L105 HydrophobicContact CG2-CG 4.47Å; D103-L105 WeakPolarHBondContact O-CG 3.47Å; D103-L105 PolarHBondContact O-N 3.43Å; D103-L105 VanDerWaalsContact O-N 3.08Å; L105-N107 PolarHBondContact O-N 2.96Å; L105-N107 VanDerWaalsContact O-N 3.08Å; L105-L108 HydrophobicContact CB-CD1 4.47Å; L105-L108 HydrophobicContact CD2-CD1 3.6Å; L105-L108 WeakPolarHBondContact O-CB 3.47Å; L105-L108 PolarHBondContact O-N 3.26Å; L105-L114 HydrophobicContact CD1-CD1 4.33Å; L105-L114 HydrophobicContact CD1-CD2 3.65Å; L105-M127 HydrophobicContact CD1-CG 4.43Å; L105-L130 HydrophobicContact CB-CD1 4.39Å; L105-L130 HydrophobicContact CB-CD2 4.38Å; L105-L130 HydrophobicContact CD1-CD1 4.14Å; L105-L130 WeakPolarHBondContact O-CD2 3.48Å | ||
| 106 | Q | 96 | Very high | 98 | Very high | 65 Ų | 65 | 39.6 Ų | 39.6 | 30% | 0.304 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -32 | -166.6 | -61.9 | 82.2 | 2.2 | 0 | 0 | 113.5 | D103 N129 | D103-Q106 PolarHBondContact OD1-NE2 3.01Å; Q106-N129 WeakPolarHBondContact O-CB 3.46Å; Q106-N129 PolarHBondContact O-ND2 3.31Å |
| 107 | N | 96.9 | Very high | 98 | Very high | 82 Ų | 82 | 37.7 Ų | 37.7 | 44% | 0.439 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -5.4 | -177 | -68 | -20 | 0 | 0 | 0 | 113.3 | D84 L105 V109 | D84-N107 WeakPolarHBondContact O-CB 3.43Å; L105-N107 PolarHBondContact O-N 2.96Å; L105-N107 VanDerWaalsContact O-N 3.08Å; N107-V109 PolarHBondContact O-N 3.48Å |
| 108 | L | 97.7 | Very high | 98 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -81.3 | 51.1 | -179.9 | -54.6 | -172.6 | 0 | 0 | 0 | 111.7 | I83 L86 L89 L92 L105 N110 L111 L130 | I83-L108 HydrophobicContact CD1-CD1 4.09Å; I83-L108 WeakPolarHBondContact O-CD2 3.4Å; L86-L108 HydrophobicContact CB-CD2 4.17Å; L86-L108 VanDerWaalsContact O-CD2 3.26Å; L86-L108 WeakPolarHBondContact O-CD2 3.47Å; L89-L108 HydrophobicContact CB-CD2 4.38Å; L89-L108 HydrophobicContact CD2-CD1 4.06Å; L92-L108 HydrophobicContact CD2-CD1 4.3Å; L105-L108 HydrophobicContact CB-CD1 4.47Å; L105-L108 HydrophobicContact CD2-CD1 3.6Å; L105-L108 WeakPolarHBondContact O-CB 3.47Å; L105-L108 PolarHBondContact O-N 3.26Å; L108-N110 PolarHBondContact O-N 2.92Å; L108-L111 HydrophobicContact CB-CB 4.27Å; L108-L111 VanDerWaalsContact O-CB 3.3Å; L108-L111 WeakPolarHBondContact O-CB 3.46Å; L108-L111 PolarHBondContact O-N 3.13Å; L108-L130 HydrophobicContact CB-CD2 4.12Å; L108-L130 VanDerWaalsContact O-CD2 3.23Å; L108-L130 WeakPolarHBondContact O-CD2 3.46Å | ||
| 109 | V | 97.4 | Very high | 98 | Very high | 69 Ų | 69 | 38.9 Ų | 38.9 | 42% | 0.418 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -13.8 | -173.7 | -61.1 | 0 | 0 | 0 | 0 | 114.3 | N107 N129 | N107-V109 PolarHBondContact O-N 3.48Å; V109-N129 HydrophobicContact CG1-CB 4.44Å |
| 110 | N | 98.3 | Very high | 98 | Very high | 37 Ų | 37 | 43.9 Ų | 43.9 | 20% | 0.198 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 1.8 | 177.4 | -69.4 | -53 | 0 | 0 | 0 | 114.1 | T87 L89 L108 E112 K132 | T87-N110 PolarHBondContact O-ND2 3.07Å; L89-N110 CarbonylContact O-C 3.58Å; L108-N110 PolarHBondContact O-N 2.92Å; N110-E112 PolarHBondContact O-N 3.21Å; N110-K132 PolarHBondContact OD1-NZ 3.37Å |
| 111 | L | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -65.9 | 125.9 | -177.5 | -156.8 | 70.4 | 0 | 0 | 0 | 111.2 | L89 L92 L108 L114 L130 K132 L133 | L89-L111 HydrophobicContact CB-CD1 4.46Å; L89-L111 HydrophobicContact CD2-CD1 4.11Å; L89-L111 HydrophobicContact CG-CD1 4.12Å; L89-L111 WeakPolarHBondContact O-CA 3.46Å; L89-L111 PolarHBondContact O-N 3.27Å; L92-L111 HydrophobicContact CB-CD1 3.83Å; L92-L111 HydrophobicContact CB-CD2 4.44Å; L108-L111 HydrophobicContact CB-CB 4.27Å; L108-L111 VanDerWaalsContact O-CB 3.3Å; L108-L111 WeakPolarHBondContact O-CB 3.46Å; L108-L111 PolarHBondContact O-N 3.13Å; L111-L114 HydrophobicContact CD2-CB 3.88Å; L111-L114 HydrophobicContact CD2-CD1 4.15Å; L111-L114 HydrophobicContact CD2-CD2 4.41Å; L111-L114 HydrophobicContact CD2-CG 4.37Å; L111-L130 HydrophobicContact CB-CD2 4.12Å; L111-L130 HydrophobicContact CD2-CD1 4.13Å; L111-L130 HydrophobicContact CD2-CD2 4.41Å; L111-K132 CarbonylContact O-C 3.5Å; L111-K132 VanDerWaalsContact O-C 3.27Å; L111-L133 WeakPolarHBondContact O-CA 3.2Å; L111-L133 PolarHBondContact O-N 3.37Å | ||
| 112 | E | 98.7 | Very high | 97.9 | Very high | 56 Ų | 56 | 35.9 Ų | 35.9 | 26% | 0.262 | 19% | 0.186 | S | C | . | . | trans | -110.6 | -31.2 | -178.3 | -65.9 | 174.1 | -155.3 | 0 | 0 | 111.3 | R90 N110 K132 Q134 V135 | R90-E112 HydrophobicContact CB-CG 4.5Å; R90-E112 WeakPolarHBondContact CD-OE1 3.4Å; R90-E112 IonicContact CZ-OE1 2.81Å; R90-E112 IonicContact NE-OE1 3.79Å; R90-E112 IonicContact NH1-OE1 2.65Å; R90-E112 PolarHBondContact NH1-OE1 2.93Å; R90-E112 WeakPolarHBondContact O-CA 3.38Å; R90-E112 PolarHBondContact O-N 2.7Å; N110-E112 PolarHBondContact O-N 3.21Å; E112-K132 HydrophobicContact CG-CB 4.43Å; E112-Q134 WeakPolarHBondContact O-CA 3.4Å; E112-Q134 PolarHBondContact O-N 3.18Å; E112-V135 PolarHBondContact O-N 3.41Å | ||
| 113 | D | 98.7 | Very high | 97.9 | Very high | 32 Ų | 32 | 37.1 Ų | 37.1 | 17% | 0.171 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 120.4 | 179.4 | -171.9 | -26.1 | 0 | 0 | 0 | 110 | R90 W91 L92 T115 V135 | R90-D113 PolarHBondContact O-N 2.9Å; W91-D113 WeakPolarHBondContact CA-O 3.47Å; W91-D113 VanDerWaalsContact CD1-OD2 3.24Å; W91-D113 HydrophobicContact CG-CB 4.14Å; W91-D113 VanDerWaalsContact NE1-CG 3.29Å; W91-D113 PolarHBondContact NE1-OD2 3.3Å; L92-D113 PolarHBondContact N-O 2.76Å; D113-T115 PolarHBondContact OD1-OG1 3.43Å; D113-T115 VanDerWaalsContact OD1-OG1 3.13Å; D113-V135 WeakPolarHBondContact CA-O 3.18Å; D113-V135 HydrophobicContact CB-CB 4.19Å |
| 114 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 118 | 175.2 | 176.1 | 60.5 | 0 | 0 | 0 | 109.4 | L92 L105 L111 L116 M127 L130 L133 V135 F136 S137 | L92-L114 HydrophobicContact CB-CD1 4.26Å; L92-L114 HydrophobicContact CD2-CD1 4Å; L92-L114 HydrophobicContact CG-CD1 4.15Å; L105-L114 HydrophobicContact CD1-CD1 4.33Å; L105-L114 HydrophobicContact CD1-CD2 3.65Å; L111-L114 HydrophobicContact CD2-CB 3.88Å; L111-L114 HydrophobicContact CD2-CD1 4.15Å; L111-L114 HydrophobicContact CD2-CD2 4.41Å; L111-L114 HydrophobicContact CD2-CG 4.37Å; L114-L116 HydrophobicContact CD1-CD1 4.12Å; L114-L116 HydrophobicContact CD1-CG 4.08Å; L114-L116 HydrophobicContact CD2-CD1 3.95Å; L114-L116 HydrophobicContact CG-CD1 4.01Å; L114-L116 HydrophobicContact CG-CG 4.26Å; L114-M127 HydrophobicContact CD2-SD 3.81Å; L114-L130 HydrophobicContact CD2-CD1 4.19Å; L114-L133 HydrophobicContact CB-CD1 3.79Å; L114-V135 PolarHBondContact N-O 3.22Å; L114-F136 HydrophobicContact CB-CD2 4.17Å; L114-F136 HydrophobicContact CD2-CD2 4.1Å; L114-F136 HydrophobicContact CD2-CE2 3.89Å; L114-F136 HydrophobicContact CG-CD2 4.15Å; L114-F136 HydrophobicContact CG-CE2 4.18Å; L114-F136 WeakPolarHBondContact O-CA 3.42Å; L114-S137 PolarHBondContact O-N 3.18Å |
| 115 | T | 98.5 | Very high | 97.9 | Very high | 21 Ų | 21 | 35.7 Ų | 35.7 | 13% | 0.129 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 116.9 | 178.2 | -59.3 | 0 | 0 | 0 | 0 | 110 | L92 L94 S95 D113 | L92-T115 PolarHBondContact O-N 3.27Å; L94-T115 PolarHBondContact N-O 3.14Å; S95-T115 WeakPolarHBondContact OG-CG2 3.46Å; D113-T115 PolarHBondContact OD1-OG1 3.43Å; D113-T115 VanDerWaalsContact OD1-OG1 3.13Å |
| 116 | L | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -124 | 29.4 | -180 | -72.6 | 162.9 | 0 | 0 | 0 | 110.3 | I80 L94 I99 I102 L114 N119 I121 F136 S137 N141 | I80-L116 HydrophobicContact CD1-CD2 3.99Å; L94-L116 HydrophobicContact CB-CD2 3.65Å; L94-L116 HydrophobicContact CD1-CD2 4Å; L94-L116 HydrophobicContact CG-CD2 4.5Å; I99-L116 HydrophobicContact CD1-CD2 3.86Å; I102-L116 HydrophobicContact CD1-CD1 4.08Å; I102-L116 HydrophobicContact CG1-CD1 4.02Å; L114-L116 HydrophobicContact CD1-CD1 4.12Å; L114-L116 HydrophobicContact CD1-CG 4.08Å; L114-L116 HydrophobicContact CD2-CD1 3.95Å; L114-L116 HydrophobicContact CG-CD1 4.01Å; L114-L116 HydrophobicContact CG-CG 4.26Å; L116-N119 PolarHBondContact O-ND2 3.5Å; L116-I121 HydrophobicContact CB-CD1 3.82Å; L116-I121 HydrophobicContact CD1-CD1 3.79Å; L116-I121 HydrophobicContact CD2-CD1 4.24Å; L116-I121 HydrophobicContact CG-CD1 4.18Å; L116-F136 HydrophobicContact CD1-CE2 4.25Å; L116-S137 CarbonylContact C-O 3.46Å; L116-S137 WeakPolarHBondContact CA-O 3.25Å; L116-S137 PolarHBondContact N-O 3.08Å; L116-N141 PolarHBondContact O-ND2 3.09Å | ||
| 117 | Y | 98.4 | Very high | 97.9 | Very high | 45 Ų | 45 | 35.2 Ų | 35.2 | 18% | 0.176 | 18% | 0.182 | C | C | . | . | trans | -63.1 | 137.6 | -175.2 | -171.8 | -89.3 | 0 | 0 | 0 | 111 | S95 F96 G139 N140 | S95-Y117 CarbonylContact C-O 3.2Å; S95-Y117 WeakPolarHBondContact CA-O 3.2Å; S95-Y117 VanDerWaalsContact CB-O 3.23Å; S95-Y117 WeakPolarHBondContact CB-O 3.08Å; S95-Y117 WeakPolarHBondContact OG-CB 3.46Å; S95-Y117 PolarHBondContact OG-N 2.84Å; F96-Y117 HydrophobicContact CE2-CD1 4.14Å; F96-Y117 AromaticContact CZ-CD1 3.92Å; F96-Y117 HydrophobicContact CZ-CD1 3.92Å; F96-Y117 HydrophobicContact CZ-CE1 4.1Å; F96-Y117 PolarHBondContact N-O 3Å; Y117-G139 CarbonylContact C-O 3.57Å; Y117-G139 WeakPolarHBondContact CA-O 3.41Å; Y117-G139 VanDerWaalsContact CD2-CA 3.47Å; Y117-N140 HydrophobicContact CE1-CB 4.22Å; Y117-N140 VanDerWaalsContact CE1-ND2 3.27Å; Y117-N140 WeakPolarHBondContact CE1-ND2 3.17Å; Y117-N140 PolarHBondContact OH-ND2 3.47Å | ||
| 118 | N | 98.6 | Very high | 97.8 | Very high | 65 Ų | 65 | 34.8 Ų | 34.8 | 35% | 0.348 | 18% | 0.177 | S | C | . | . | S | Bend | trans | 57.8 | 63.6 | -179.8 | -161.8 | 43 | 0 | 0 | 0 | 113.1 | F96 N97 G139 N140 | F96-N118 VanDerWaalsContact CA-O 3.29Å; F96-N118 WeakPolarHBondContact CA-O 3.32Å; F96-N118 HydrophobicContact CD1-CB 3.9Å; F96-N118 WeakPolarHBondContact CD1-ND2 2.93Å; F96-N118 HydrophobicContact CE1-CB 3.97Å; F96-N118 WeakPolarHBondContact CE1-ND2 3.37Å; F96-N118 HydrophobicContact CG-CB 4.29Å; F96-N118 HydrophobicContact CZ-CB 4.47Å; F96-N118 PolarHBondContact N-O 3.3Å; N97-N118 PolarHBondContact N-O 2.84Å; N118-G139 PolarHBondContact N-O 3.26Å; N118-N140 WeakPolarHBondContact CA-O 3.28Å; N118-N140 HydrophobicContact CB-CB 3.99Å |
| 119 | N | 98.8 | Very high | 97.7 | Very high | 6 Ų | 6 | 38.7 Ų | 38.7 | 3% | 0.032 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -124.9 | -158.7 | 171.8 | -86.6 | -73.8 | 0 | 0 | 0 | 109.1 | L94 N97 N98 I99 L116 I121 N141 | L94-N119 PolarHBondContact O-ND2 3.36Å; N97-N119 WeakPolarHBondContact CA-OD1 3.43Å; N97-N119 WeakPolarHBondContact CB-OD1 3.35Å; N97-N119 PolarHBondContact O-OD1 3.16Å; N98-N119 PolarHBondContact N-OD1 2.83Å; I99-N119 HydrophobicContact CB-CB 4.31Å; I99-N119 WeakPolarHBondContact CB-OD1 3.42Å; I99-N119 PolarHBondContact N-OD1 3.09Å; L116-N119 PolarHBondContact O-ND2 3.5Å; N119-I121 HydrophobicContact CB-CD1 4.3Å; N119-I121 HydrophobicContact CB-CG1 4.33Å; N119-N141 VanDerWaalsContact CA-OD1 3.27Å; N119-N141 WeakPolarHBondContact CA-OD1 3.3Å; N119-N141 WeakPolarHBondContact CB-OD1 3.42Å; N119-N141 PolarHBondContact N-OD1 2.88Å; N119-N141 PolarHBondContact O-OD1 3.07Å |
| 120 | R | 98.4 | Very high | 97.8 | Very high | 105 Ų | 105 | 35.5 Ų | 35.5 | 40% | 0.396 | 18% | 0.178 | S | C | . | . | trans | -118.6 | 24.7 | -179 | -53.5 | -175.2 | -174.4 | -175.1 | 5.9 | 113.6 | N98 I99 E100 N141 Y142 | N98-R120 PolarHBondContact OD1-NE 2.72Å; N98-R120 PolarHBondContact OD1-NH2 2.84Å; I99-R120 CarbonylContact O-C 3.59Å; I99-R120 VanDerWaalsContact O-CA 3.3Å; I99-R120 WeakPolarHBondContact O-CA 3.32Å; I99-R120 PolarHBondContact O-N 2.94Å; E100-R120 HydrophobicContact CG-CB 3.83Å; R120-N141 PolarHBondContact N-OD1 2.82Å; R120-Y142 HydrophobicContact CB-CD2 4.09Å; R120-Y142 HydrophobicContact CB-CE2 3.91Å; R120-Y142 HydrophobicContact CG-CE2 4.05Å | ||
| 121 | I | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -70.8 | 133.1 | -173.6 | -62.2 | 164 | 0 | 0 | 0 | 111.3 | I99 E100 I102 L116 N119 S123 V138 N141 Y142 I143 | I99-I121 HydrophobicContact CG2-CG1 4.38Å; I99-I121 PolarHBondContact O-N 2.97Å; E100-I121 WeakPolarHBondContact O-CA 3.31Å; I102-I121 HydrophobicContact CD1-CD1 4.35Å; I102-I121 HydrophobicContact CD1-CG2 4.28Å; I102-I121 HydrophobicContact CG1-CD1 3.89Å; I102-I121 HydrophobicContact CG1-CG1 4.4Å; I102-I121 HydrophobicContact CG1-CG2 4.16Å; L116-I121 HydrophobicContact CB-CD1 3.82Å; L116-I121 HydrophobicContact CD1-CD1 3.79Å; L116-I121 HydrophobicContact CD2-CD1 4.24Å; L116-I121 HydrophobicContact CG-CD1 4.18Å; N119-I121 HydrophobicContact CB-CD1 4.3Å; N119-I121 HydrophobicContact CB-CG1 4.33Å; I121-S123 WeakPolarHBondContact CG2-O 3.45Å; I121-V138 HydrophobicContact CB-CG2 4.48Å; I121-V138 HydrophobicContact CD1-CG2 4.09Å; I121-N141 HydrophobicContact CB-CB 4.24Å; I121-N141 WeakPolarHBondContact CB-OD1 3.35Å; I121-N141 PolarHBondContact N-OD1 3.47Å; I121-Y142 CarbonylContact O-C 3.37Å; I121-Y142 WeakPolarHBondContact O-CA 3.34Å; I121-Y142 PolarHBondContact O-N 3.26Å; I121-I143 PolarHBondContact O-N 3.43Å | ||
| 122 | T | 97 | Very high | 97.6 | Very high | 78 Ų | 78 | 43.2 Ų | 43.2 | 48% | 0.479 | 21% | 0.21 | S | C | . | . | trans | -107.9 | -26.1 | 179.9 | 56 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 123 | S | 96 | Very high | 97.6 | Very high | 25 Ų | 25 | 40.5 Ų | 40.5 | 18% | 0.175 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -134.1 | 156.2 | -175.9 | 49.4 | 0 | 0 | 0 | 0 | 111.7 | I121 E125 | I121-S123 WeakPolarHBondContact CG2-O 3.45Å; S123-E125 WeakPolarHBondContact CB-OE2 3.37Å; S123-E125 PolarHBondContact OG-OE2 3.29Å |
| 124 | L | 97.3 | Very high | 97.6 | Very high | 8 Ų | 8 | 42 Ų | 42 | 4% | 0.042 | 20% | 0.204 | C | C | . | . | trans | -102.4 | 109.9 | 173.7 | -58.8 | 179.5 | 0 | 0 | 0 | 107.8 | I102 F136 V138 I143 N148 I149 Y151 L152 | I102-L124 HydrophobicContact CD1-CD2 4.4Å; L124-F136 HydrophobicContact CD2-CE1 3.78Å; L124-F136 HydrophobicContact CD2-CZ 3.94Å; L124-V138 HydrophobicContact CD2-CG1 4.42Å; L124-I143 HydrophobicContact CD2-CD1 3.64Å; L124-I143 HydrophobicContact CG-CD1 4.19Å; L124-N148 HydrophobicContact CD1-CB 4.45Å; L124-I149 HydrophobicContact CD1-CD1 4.41Å; L124-Y151 HydrophobicContact CB-CD1 3.74Å; L124-Y151 HydrophobicContact CB-CE1 4.38Å; L124-Y151 HydrophobicContact CB-CG 4.29Å; L124-Y151 WeakPolarHBondContact O-CD1 3.45Å; L124-L152 HydrophobicContact CD1-CD1 3.97Å; L124-L152 HydrophobicContact CD1-CD2 3.96Å; L124-L152 HydrophobicContact CD1-CG 3.81Å | ||
| 125 | E | 96.5 | Very high | 97.6 | Very high | 56 Ų | 56 | 44.3 Ų | 44.3 | 26% | 0.262 | 22% | 0.217 | S | C | . | . | trans | -155.4 | 166.9 | -170.5 | 58.6 | -169.2 | -146.7 | 0 | 0 | 111.1 | S123 M127 Y151 | S123-E125 WeakPolarHBondContact CB-OE2 3.37Å; S123-E125 PolarHBondContact OG-OE2 3.29Å; E125-M127 VanDerWaalsContact C-N 3.25Å; E125-M127 PolarHBondContact O-N 3.18Å; E125-M127 VanDerWaalsContact O-N 3.16Å; E125-Y151 VanDerWaalsContact C-OH 3.31Å | ||
| 126 | N | 97 | Very high | 97.6 | Very high | 52 Ų | 52 | 43.3 Ų | 43.3 | 28% | 0.278 | 21% | 0.211 | S | C | . | . | S | Bend | trans | 56.5 | 29 | 172.2 | -52.7 | -41.7 | 0 | 0 | 0 | 115.9 | I102 E128 Y151 | I102-N126 WeakPolarHBondContact O-CB 3.03Å; I102-N126 PolarHBondContact O-ND2 2.99Å; N126-E128 VanDerWaalsContact CA-OE2 3.3Å; N126-E128 WeakPolarHBondContact CA-OE2 3.41Å; N126-E128 PolarHBondContact N-OE1 3.15Å; N126-Y151 PolarHBondContact N-OH 3.43Å; N126-Y151 VanDerWaalsContact N-OH 3.15Å |
| 127 | M | 97.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | trans | -116.7 | 10.4 | 177.6 | -67.8 | -174.8 | -63.5 | 0 | 0 | 112.4 | I102 L105 L114 E125 N129 L130 F136 Y151 F155 | I102-M127 HydrophobicContact CD1-CE 3.78Å; I102-M127 HydrophobicContact CD1-SD 3.84Å; I102-M127 HydrophobicContact CG2-CG 3.6Å; I102-M127 HydrophobicContact CG2-SD 3.96Å; L105-M127 HydrophobicContact CD1-CG 4.43Å; L114-M127 HydrophobicContact CD2-SD 3.81Å; E125-M127 VanDerWaalsContact C-N 3.25Å; E125-M127 PolarHBondContact O-N 3.18Å; E125-M127 VanDerWaalsContact O-N 3.16Å; M127-N129 PolarHBondContact O-N 2.69Å; M127-L130 HydrophobicContact CB-CD1 3.85Å; M127-L130 HydrophobicContact CB-CG 4.18Å; M127-L130 HydrophobicContact CG-CD1 3.81Å; M127-L130 WeakPolarHBondContact O-CB 3.47Å; M127-L130 WeakPolarHBondContact O-CG 3.35Å; M127-L130 PolarHBondContact O-N 3.1Å; M127-L130 HydrophobicContact SD-CD1 4.27Å; M127-F136 HydrophobicContact CE-CE1 4.16Å; M127-F136 HydrophobicContact CE-CE2 4.42Å; M127-F136 HydrophobicContact CE-CZ 3.87Å; M127-F136 HydrophobicContact SD-CE2 4.05Å; M127-F136 HydrophobicContact SD-CZ 4.08Å; M127-Y151 HydrophobicContact CB-CE1 4.25Å; M127-Y151 HydrophobicContact CE-CD1 4.41Å; M127-Y151 HydrophobicContact CE-CE1 3.84Å; M127-Y151 PolarHBondContact N-OH 2.92Å; M127-F155 HydrophobicContact CB-CE1 4.27Å; M127-F155 HydrophobicContact CB-CZ 3.66Å; M127-F155 WeakPolarHBondContact O-CE1 3.37Å; M127-F155 WeakPolarHBondContact O-CZ 3.37Å | ||
| 128 | E | 95.2 | Very high | 97.5 | Very high | 74 Ų | 74 | 41.4 Ų | 41.4 | 35% | 0.346 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -32.7 | -169.5 | -62.5 | 71.9 | -155.4 | 0 | 0 | 112.3 | N126 K131 Y151 | N126-E128 VanDerWaalsContact CA-OE2 3.3Å; N126-E128 WeakPolarHBondContact CA-OE2 3.41Å; N126-E128 PolarHBondContact N-OE1 3.15Å; E128-K131 VanDerWaalsContact O-CD 3.25Å; E128-K131 WeakPolarHBondContact O-CD 3.26Å; E128-K131 WeakPolarHBondContact O-CE 3.47Å; E128-K131 PolarHBondContact O-NZ 3.09Å; E128-Y151 PolarHBondContact N-OH 2.96Å; E128-Y151 WeakPolarHBondContact OE1-CE2 3.21Å; E128-Y151 PolarHBondContact OE1-OH 3.38Å |
| 129 | N | 96.3 | Very high | 97.5 | Very high | 82 Ų | 82 | 38.3 Ų | 38.3 | 44% | 0.439 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -9.8 | -178.2 | -68.4 | -11.5 | 0 | 0 | 0 | 114.2 | Q106 V109 M127 K131 | Q106-N129 WeakPolarHBondContact O-CB 3.46Å; Q106-N129 PolarHBondContact O-ND2 3.31Å; V109-N129 HydrophobicContact CG1-CB 4.44Å; M127-N129 PolarHBondContact O-N 2.69Å; N129-K131 PolarHBondContact O-N 3.48Å |
| 130 | L | 97.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | trans | -77.8 | 52.1 | -179.4 | -52.5 | -173.5 | 0 | 0 | 0 | 111.6 | L105 L108 L111 L114 M127 K132 L133 F155 | L105-L130 HydrophobicContact CB-CD1 4.39Å; L105-L130 HydrophobicContact CB-CD2 4.38Å; L105-L130 HydrophobicContact CD1-CD1 4.14Å; L105-L130 WeakPolarHBondContact O-CD2 3.48Å; L108-L130 HydrophobicContact CB-CD2 4.12Å; L108-L130 VanDerWaalsContact O-CD2 3.23Å; L108-L130 WeakPolarHBondContact O-CD2 3.46Å; L111-L130 HydrophobicContact CB-CD2 4.12Å; L111-L130 HydrophobicContact CD2-CD1 4.13Å; L111-L130 HydrophobicContact CD2-CD2 4.41Å; L114-L130 HydrophobicContact CD2-CD1 4.19Å; M127-L130 HydrophobicContact CB-CD1 3.85Å; M127-L130 HydrophobicContact CB-CG 4.18Å; M127-L130 HydrophobicContact CG-CD1 3.81Å; M127-L130 WeakPolarHBondContact O-CB 3.47Å; M127-L130 WeakPolarHBondContact O-CG 3.35Å; M127-L130 PolarHBondContact O-N 3.1Å; M127-L130 HydrophobicContact SD-CD1 4.27Å; L130-K132 PolarHBondContact O-N 3.06Å; L130-K132 VanDerWaalsContact O-N 3.13Å; L130-L133 HydrophobicContact CB-CB 4.23Å; L130-L133 WeakPolarHBondContact O-CB 3.31Å; L130-L133 PolarHBondContact O-N 3.03Å; L130-L133 VanDerWaalsContact O-N 3.07Å; L130-F155 HydrophobicContact CB-CE1 4.21Å; L130-F155 WeakPolarHBondContact O-CD1 3.24Å | ||
| 131 | K | 95.9 | Very high | 97.5 | Very high | 103 Ų | 103 | 36 Ų | 36 | 45% | 0.448 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -20.3 | -172 | -60.6 | -53.5 | -169.2 | -162.1 | 0 | 113.3 | E128 N129 H157 | E128-K131 VanDerWaalsContact O-CD 3.25Å; E128-K131 WeakPolarHBondContact O-CD 3.26Å; E128-K131 WeakPolarHBondContact O-CE 3.47Å; E128-K131 PolarHBondContact O-NZ 3.09Å; N129-K131 PolarHBondContact O-N 3.48Å; K131-H157 PolarHBondContact O-CD2 3.32Å; K131-H157 VanDerWaalsContact O-CD2 3.31Å |
| 132 | K | 98.1 | Very high | 97.5 | Very high | 96 Ų | 96 | 42.4 Ų | 42.4 | 42% | 0.417 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 2 | 177.4 | -61.8 | -169.6 | -171.8 | 171.7 | 0 | 114.3 | N110 L111 E112 L130 Q134 | N110-K132 PolarHBondContact OD1-NZ 3.37Å; L111-K132 CarbonylContact O-C 3.5Å; L111-K132 VanDerWaalsContact O-C 3.27Å; E112-K132 HydrophobicContact CG-CB 4.43Å; L130-K132 PolarHBondContact O-N 3.06Å; L130-K132 VanDerWaalsContact O-N 3.13Å; K132-Q134 PolarHBondContact O-N 3.21Å |
| 133 | L | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -61.5 | 125.4 | -177.7 | -167.5 | 68.1 | 0 | 0 | 0 | 111.1 | L111 L114 L130 F136 F155 H157 L158 | L111-L133 WeakPolarHBondContact O-CA 3.2Å; L111-L133 PolarHBondContact O-N 3.37Å; L114-L133 HydrophobicContact CB-CD1 3.79Å; L130-L133 HydrophobicContact CB-CB 4.23Å; L130-L133 WeakPolarHBondContact O-CB 3.31Å; L130-L133 PolarHBondContact O-N 3.03Å; L130-L133 VanDerWaalsContact O-N 3.07Å; L133-F136 HydrophobicContact CD2-CB 4.07Å; L133-F136 HydrophobicContact CD2-CD2 4.45Å; L133-F136 HydrophobicContact CD2-CG 4.3Å; L133-F155 HydrophobicContact CB-CD1 4.37Å; L133-F155 HydrophobicContact CD2-CD1 4.48Å; L133-H157 CarbonylContact O-C 3.32Å; L133-L158 HydrophobicContact CD2-CD1 4.47Å; L133-L158 HydrophobicContact CG-CD1 4.35Å; L133-L158 WeakPolarHBondContact O-CA 3.47Å; L133-L158 PolarHBondContact O-N 3.46Å | ||
| 134 | Q | 98.3 | Very high | 97.5 | Very high | 64 Ų | 64 | 41.2 Ų | 41.2 | 30% | 0.299 | 20% | 0.2 | S | C | . | . | trans | -116.8 | -37.5 | -178 | -72.2 | 170.9 | 63.8 | 0 | 0 | 112 | E112 K132 H157 Q159 S160 | E112-Q134 WeakPolarHBondContact O-CA 3.4Å; E112-Q134 PolarHBondContact O-N 3.18Å; K132-Q134 PolarHBondContact O-N 3.21Å; Q134-H157 WeakPolarHBondContact CA-O 3.11Å; Q134-H157 HydrophobicContact CG-CB 4.19Å; Q134-H157 WeakPolarHBondContact CG-O 3.21Å; Q134-Q159 PolarHBondContact O-N 2.91Å; Q134-S160 PolarHBondContact O-N 3.15Å | ||
| 135 | V | 98.4 | Very high | 97.3 | Very high | 47 Ų | 47 | 46.4 Ų | 46.4 | 29% | 0.285 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 123.8 | 179.9 | -178.1 | 0 | 0 | 0 | 0 | 108.5 | E112 D113 L114 | E112-V135 PolarHBondContact O-N 3.41Å; D113-V135 WeakPolarHBondContact CA-O 3.18Å; D113-V135 HydrophobicContact CB-CB 4.19Å; L114-V135 PolarHBondContact N-O 3.22Å |
| 136 | F | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 113.3 | 176.6 | -178 | -133.4 | 0 | 0 | 0 | 110.7 | I102 L114 L116 L124 M127 L133 V138 L152 L158 S160 V161 C162 | I102-F136 HydrophobicContact CD1-CZ 4.17Å; L114-F136 HydrophobicContact CB-CD2 4.17Å; L114-F136 HydrophobicContact CD2-CD2 4.1Å; L114-F136 HydrophobicContact CD2-CE2 3.89Å; L114-F136 HydrophobicContact CG-CD2 4.15Å; L114-F136 HydrophobicContact CG-CE2 4.18Å; L114-F136 WeakPolarHBondContact O-CA 3.42Å; L116-F136 HydrophobicContact CD1-CE2 4.25Å; L124-F136 HydrophobicContact CD2-CE1 3.78Å; L124-F136 HydrophobicContact CD2-CZ 3.94Å; M127-F136 HydrophobicContact CE-CE1 4.16Å; M127-F136 HydrophobicContact CE-CE2 4.42Å; M127-F136 HydrophobicContact CE-CZ 3.87Å; M127-F136 HydrophobicContact SD-CE2 4.05Å; M127-F136 HydrophobicContact SD-CZ 4.08Å; L133-F136 HydrophobicContact CD2-CB 4.07Å; L133-F136 HydrophobicContact CD2-CD2 4.45Å; L133-F136 HydrophobicContact CD2-CG 4.3Å; F136-V138 HydrophobicContact CD1-CG1 4.41Å; F136-V138 HydrophobicContact CE1-CB 4.1Å; F136-V138 HydrophobicContact CE1-CG1 3.73Å; F136-V138 HydrophobicContact CE2-CB 4.2Å; F136-V138 HydrophobicContact CZ-CB 3.74Å; F136-V138 HydrophobicContact CZ-CG1 3.9Å; F136-V138 HydrophobicContact CZ-CG2 4.24Å; F136-L152 HydrophobicContact CD1-CD1 4.37Å; F136-L152 HydrophobicContact CD1-CD2 3.95Å; F136-L152 HydrophobicContact CE1-CD2 3.97Å; F136-L158 HydrophobicContact CB-CD1 3.78Å; F136-S160 PolarHBondContact N-O 3.48Å; F136-V161 CarbonylContact O-C 3.56Å; F136-V161 VanDerWaalsContact O-CA 3.26Å; F136-V161 WeakPolarHBondContact O-CA 3.28Å; F136-C162 PolarHBondContact O-N 2.92Å |
| 137 | S | 98.3 | Very high | 96.7 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 115.2 | 178.1 | -178.5 | 0 | 0 | 0 | 0 | 110.2 | L114 L116 | L114-S137 PolarHBondContact O-N 3.18Å; L116-S137 CarbonylContact C-O 3.46Å; L116-S137 WeakPolarHBondContact CA-O 3.25Å; L116-S137 PolarHBondContact N-O 3.08Å |
| 138 | V | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -132.3 | 27.3 | 176.9 | 68.9 | 0 | 0 | 0 | 0 | 110.5 | I121 L124 F136 N141 I143 C162 L163 N166 | I121-V138 HydrophobicContact CB-CG2 4.48Å; I121-V138 HydrophobicContact CD1-CG2 4.09Å; L124-V138 HydrophobicContact CD2-CG1 4.42Å; F136-V138 HydrophobicContact CD1-CG1 4.41Å; F136-V138 HydrophobicContact CE1-CB 4.1Å; F136-V138 HydrophobicContact CE1-CG1 3.73Å; F136-V138 HydrophobicContact CE2-CB 4.2Å; F136-V138 HydrophobicContact CZ-CB 3.74Å; F136-V138 HydrophobicContact CZ-CG1 3.9Å; F136-V138 HydrophobicContact CZ-CG2 4.24Å; V138-N141 HydrophobicContact CG2-CB 4.19Å; V138-N141 PolarHBondContact O-ND2 3.16Å; V138-I143 HydrophobicContact CB-CD1 4.38Å; V138-I143 HydrophobicContact CG1-CD1 3.66Å; V138-I143 HydrophobicContact CG2-CD1 3.79Å; V138-C162 CarbonylContact C-O 3.6Å; V138-C162 PolarHBondContact N-O 3.35Å; V138-L163 HydrophobicContact CG1-CD2 3.57Å; V138-L163 HydrophobicContact CG1-CG 4.27Å; V138-N166 PolarHBondContact O-ND2 3.15Å | ||
| 139 | G | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -59.8 | 159.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y117 N118 N141 C162 H164 | Y117-G139 CarbonylContact C-O 3.57Å; Y117-G139 WeakPolarHBondContact CA-O 3.41Å; Y117-G139 VanDerWaalsContact CD2-CA 3.47Å; N118-G139 PolarHBondContact N-O 3.26Å; G139-N141 VanDerWaalsContact C-N 3.31Å; G139-N141 PolarHBondContact O-N 2.83Å; G139-N141 PolarHBondContact O-ND2 2.91Å; G139-C162 PolarHBondContact N-O 2.92Å; G139-H164 CarbonylContact C-O 3.6Å; G139-H164 WeakPolarHBondContact CA-O 3.33Å | ||
| 140 | N | 98.3 | Very high | 96.2 | Very high | 57 Ų | 57 | 43.6 Ų | 43.6 | 31% | 0.305 | 22% | 0.215 | S | C | . | . | S | Bend | trans | 50.2 | 44.5 | -176.2 | -71.4 | -18 | 0 | 0 | 0 | 114 | Y117 N118 H164 G165 | Y117-N140 HydrophobicContact CE1-CB 4.22Å; Y117-N140 VanDerWaalsContact CE1-ND2 3.27Å; Y117-N140 WeakPolarHBondContact CE1-ND2 3.17Å; Y117-N140 PolarHBondContact OH-ND2 3.47Å; N118-N140 WeakPolarHBondContact CA-O 3.28Å; N118-N140 HydrophobicContact CB-CB 3.99Å; N140-H164 PolarHBondContact N-O 2.85Å; N140-G165 WeakPolarHBondContact OD1-CA 3.45Å |
| 141 | N | 98.6 | Very high | 96.1 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -113.4 | -163.2 | 170.5 | -81.3 | -86.2 | 0 | 0 | 0 | 109.9 | L116 N119 R120 I121 V138 G139 N166 P167 | L116-N141 PolarHBondContact O-ND2 3.09Å; N119-N141 VanDerWaalsContact CA-OD1 3.27Å; N119-N141 WeakPolarHBondContact CA-OD1 3.3Å; N119-N141 WeakPolarHBondContact CB-OD1 3.42Å; N119-N141 PolarHBondContact N-OD1 2.88Å; N119-N141 PolarHBondContact O-OD1 3.07Å; R120-N141 PolarHBondContact N-OD1 2.82Å; I121-N141 HydrophobicContact CB-CB 4.24Å; I121-N141 WeakPolarHBondContact CB-OD1 3.35Å; I121-N141 PolarHBondContact N-OD1 3.47Å; V138-N141 HydrophobicContact CG2-CB 4.19Å; V138-N141 PolarHBondContact O-ND2 3.16Å; G139-N141 VanDerWaalsContact C-N 3.31Å; G139-N141 PolarHBondContact O-N 2.83Å; G139-N141 PolarHBondContact O-ND2 2.91Å; N141-N166 WeakPolarHBondContact CA-OD1 3.18Å; N141-N166 WeakPolarHBondContact CB-OD1 3.35Å; N141-N166 PolarHBondContact N-OD1 3.17Å; N141-N166 PolarHBondContact O-OD1 3.18Å; N141-N166 VanDerWaalsContact O-OD1 3.11Å; N141-P167 WeakPolarHBondContact O-CD 3.32Å |
| 142 | Y | 97.9 | Very high | 96.1 | Very high | 135 Ų | 135 | 41 Ų | 41 | 53% | 0.529 | 20% | 0.203 | S | C | . | . | trans | -111.8 | 25.6 | -177.7 | -61.1 | -74 | 0 | 0 | 0 | 113.7 | R120 I121 T144 N166 | R120-Y142 HydrophobicContact CB-CD2 4.09Å; R120-Y142 HydrophobicContact CB-CE2 3.91Å; R120-Y142 HydrophobicContact CG-CE2 4.05Å; I121-Y142 CarbonylContact O-C 3.37Å; I121-Y142 WeakPolarHBondContact O-CA 3.34Å; I121-Y142 PolarHBondContact O-N 3.26Å; Y142-T144 PolarHBondContact O-N 3.07Å; Y142-T144 PolarHBondContact O-OG1 3.22Å; Y142-N166 PolarHBondContact N-OD1 2.93Å | ||
| 143 | I | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -67.9 | 121.5 | 177 | -58.3 | 166.7 | 0 | 0 | 0 | 109.7 | I121 L124 V138 N148 L163 N166 P167 I168 | I121-I143 PolarHBondContact O-N 3.43Å; L124-I143 HydrophobicContact CD2-CD1 3.64Å; L124-I143 HydrophobicContact CG-CD1 4.19Å; V138-I143 HydrophobicContact CB-CD1 4.38Å; V138-I143 HydrophobicContact CG1-CD1 3.66Å; V138-I143 HydrophobicContact CG2-CD1 3.79Å; I143-N148 HydrophobicContact CG2-CB 4.46Å; I143-L163 HydrophobicContact CD1-CD2 3.87Å; I143-N166 HydrophobicContact CB-CB 4.22Å; I143-N166 WeakPolarHBondContact CB-OD1 3.39Å; I143-N166 PolarHBondContact N-OD1 3.21Å; I143-P167 VanDerWaalsContact O-CD 3.25Å; I143-P167 WeakPolarHBondContact O-CD 3.41Å; I143-I168 HydrophobicContact CG2-CB 4.5Å; I143-I168 HydrophobicContact CG2-CD1 4.31Å; I143-I168 HydrophobicContact CG2-CG2 4.39Å; I143-I168 WeakPolarHBondContact O-CB 3.25Å; I143-I168 PolarHBondContact O-N 3.39Å | ||
| 144 | T | 96 | Very high | 95.7 | Very high | 78 Ų | 78 | 40.8 Ų | 40.8 | 48% | 0.479 | 20% | 0.202 | S | C | . | . | trans | -110.8 | -48.9 | -171.6 | -58.5 | 0 | 0 | 0 | 0 | 113.4 | Y142 P167 | Y142-T144 PolarHBondContact O-N 3.07Å; Y142-T144 PolarHBondContact O-OG1 3.22Å; T144-P167 HydrophobicContact CG2-CB 4.33Å | ||
| 145 | E | 93 | Very high | 95.6 | Very high | 117 Ų | 117 | 38 Ų | 38 | 55% | 0.547 | 19% | 0.189 | S | C | . | . | trans | -83.2 | 136.1 | -171.2 | -62.7 | -58.5 | 151.7 | 0 | 0 | 112.9 | S147 N148 I168 | E145-S147 VanDerWaalsContact C-N 3.26Å; E145-S147 PolarHBondContact O-N 3.17Å; E145-N148 PolarHBondContact O-N 3.11Å; E145-I168 WeakPolarHBondContact O-CD1 3.45Å | ||
| 146 | L | 92 | Very high | 95.3 | Very high | 26 Ų | 26 | 43.5 Ų | 43.5 | 14% | 0.136 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -62.5 | -34.3 | 173.8 | -77.2 | 176.3 | 0 | 0 | 0 | 112 | N148 I149 I168 N171 Y174 Y177 | L146-N148 PolarHBondContact O-N 3.32Å; L146-N148 VanDerWaalsContact O-N 3.15Å; L146-I149 WeakPolarHBondContact O-CB 3.42Å; L146-I149 VanDerWaalsContact O-CG1 3.28Å; L146-I149 WeakPolarHBondContact O-CG1 3.5Å; L146-I149 PolarHBondContact O-N 2.97Å; L146-I168 HydrophobicContact CD2-CD1 3.96Å; L146-I168 HydrophobicContact CD2-CG1 3.65Å; L146-I168 HydrophobicContact CG-CG1 4.26Å; L146-N171 HydrophobicContact CD1-CB 4.43Å; L146-N171 WeakPolarHBondContact CD1-ND2 3.35Å; L146-Y174 HydrophobicContact CD2-CD2 4.47Å; L146-Y177 HydrophobicContact CB-CD1 3.9Å; L146-Y177 HydrophobicContact CB-CE1 3.89Å; L146-Y177 HydrophobicContact CB-CG 4.3Å; L146-Y177 HydrophobicContact CD1-CD2 4.38Å; L146-Y177 HydrophobicContact CD1-CG 4.13Å; L146-Y177 HydrophobicContact CD2-CD1 3.9Å; L146-Y177 HydrophobicContact CD2-CG 4.1Å; L146-Y177 HydrophobicContact CG-CD1 4.33Å; L146-Y177 HydrophobicContact CG-CG 4.43Å; L146-Y177 WeakPolarHBondContact O-CE1 3.38Å |
| 147 | S | 88.9 | Confident | 95.2 | Very high | 65 Ų | 65 | 48.8 Ų | 48.8 | 46% | 0.455 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -57.8 | -28.8 | -178.8 | 53.5 | 0 | 0 | 0 | 0 | 113.6 | E145 I149 K150 | E145-S147 VanDerWaalsContact C-N 3.26Å; E145-S147 PolarHBondContact O-N 3.17Å; S147-I149 PolarHBondContact O-N 3.23Å; S147-I149 VanDerWaalsContact O-N 3.09Å; S147-K150 WeakPolarHBondContact O-CB 3.34Å; S147-K150 PolarHBondContact O-N 3.24Å; S147-K150 VanDerWaalsContact O-N 3.1Å |
| 148 | N | 90.4 | Very high | 95.1 | Very high | 41 Ų | 41 | 48.9 Ų | 48.9 | 22% | 0.219 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -57.9 | -24.4 | 175.9 | -75.3 | -29.7 | 0 | 0 | 0 | 112.7 | L124 I143 E145 L146 K150 Y151 | L124-N148 HydrophobicContact CD1-CB 4.45Å; I143-N148 HydrophobicContact CG2-CB 4.46Å; E145-N148 PolarHBondContact O-N 3.11Å; L146-N148 PolarHBondContact O-N 3.32Å; L146-N148 VanDerWaalsContact O-N 3.15Å; N148-K150 VanDerWaalsContact C-N 3.25Å; N148-K150 PolarHBondContact O-N 3.12Å; N148-Y151 WeakPolarHBondContact O-CB 3.3Å; N148-Y151 PolarHBondContact O-N 3.47Å; N148-Y151 VanDerWaalsContact O-N 3.16Å |
| 149 | I | 95 | Very high | 95.1 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -70.3 | -24.7 | -178.4 | -56 | -61.5 | 0 | 0 | 0 | 111.9 | L124 L146 S147 Y151 L152 L163 I168 Y177 I178 M181 L182 | L124-I149 HydrophobicContact CD1-CD1 4.41Å; L146-I149 WeakPolarHBondContact O-CB 3.42Å; L146-I149 VanDerWaalsContact O-CG1 3.28Å; L146-I149 WeakPolarHBondContact O-CG1 3.5Å; L146-I149 PolarHBondContact O-N 2.97Å; S147-I149 PolarHBondContact O-N 3.23Å; S147-I149 VanDerWaalsContact O-N 3.09Å; I149-Y151 PolarHBondContact O-N 3.19Å; I149-L152 HydrophobicContact CD1-CD1 4.45Å; I149-L152 WeakPolarHBondContact O-CB 3.47Å; I149-L152 PolarHBondContact O-N 3.3Å; I149-L163 HydrophobicContact CD1-CD1 3.53Å; I149-L163 HydrophobicContact CD1-CD2 4.33Å; I149-I168 HydrophobicContact CD1-CD1 3.71Å; I149-I168 HydrophobicContact CG1-CD1 3.6Å; I149-Y177 HydrophobicContact CB-CD1 4.39Å; I149-Y177 HydrophobicContact CB-CE1 4.13Å; I149-I178 HydrophobicContact CB-CD1 4.06Å; I149-I178 HydrophobicContact CD1-CD1 3.63Å; I149-I178 HydrophobicContact CG1-CD1 3.4Å; I149-I178 HydrophobicContact CG2-CD1 3.63Å; I149-M181 HydrophobicContact CG2-CB 4.02Å; I149-L182 HydrophobicContact CG2-CD1 4.12Å; I149-L182 HydrophobicContact CG2-CG 4.15Å |
| 150 | K | 93.4 | Very high | 95.1 | Very high | 76 Ų | 76 | 53.7 Ų | 53.7 | 33% | 0.33 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -57.3 | -33.9 | 172.5 | -64.2 | -172 | -178.5 | -169.3 | 0 | 111.5 | S147 N148 L152 R153 Y177 M181 E208 I212 | S147-K150 WeakPolarHBondContact O-CB 3.34Å; S147-K150 PolarHBondContact O-N 3.24Å; S147-K150 VanDerWaalsContact O-N 3.1Å; N148-K150 VanDerWaalsContact C-N 3.25Å; N148-K150 PolarHBondContact O-N 3.12Å; K150-L152 PolarHBondContact O-N 3.48Å; K150-R153 VanDerWaalsContact O-CB 3.25Å; K150-R153 WeakPolarHBondContact O-CB 3.47Å; K150-R153 WeakPolarHBondContact O-CG 3.16Å; K150-R153 PolarHBondContact O-N 3.34Å; K150-Y177 WeakPolarHBondContact CE-OH 3.44Å; K150-M181 HydrophobicContact CG-SD 4.04Å; K150-E208 WeakPolarHBondContact CE-OE1 3.28Å; K150-E208 IonicContact NZ-OE1 3.79Å; K150-E208 PolarHBondContact NZ-OE1 2.93Å; K150-I212 HydrophobicContact CD-CD1 3.96Å; K150-I212 HydrophobicContact CG-CD1 4.45Å |
| 151 | Y | 95.2 | Very high | 95.1 | Very high | 48 Ų | 48 | 51 Ų | 51 | 19% | 0.188 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -57.2 | -31.9 | 176.4 | -176.2 | -97.7 | 0 | 0 | 0 | 112.7 | L124 E125 N126 M127 E128 N148 I149 R153 Q154 F155 | L124-Y151 HydrophobicContact CB-CD1 3.74Å; L124-Y151 HydrophobicContact CB-CE1 4.38Å; L124-Y151 HydrophobicContact CB-CG 4.29Å; L124-Y151 WeakPolarHBondContact O-CD1 3.45Å; E125-Y151 VanDerWaalsContact C-OH 3.31Å; N126-Y151 PolarHBondContact N-OH 3.43Å; N126-Y151 VanDerWaalsContact N-OH 3.15Å; M127-Y151 HydrophobicContact CB-CE1 4.25Å; M127-Y151 HydrophobicContact CE-CD1 4.41Å; M127-Y151 HydrophobicContact CE-CE1 3.84Å; M127-Y151 PolarHBondContact N-OH 2.92Å; E128-Y151 PolarHBondContact N-OH 2.96Å; E128-Y151 WeakPolarHBondContact OE1-CE2 3.21Å; E128-Y151 PolarHBondContact OE1-OH 3.38Å; N148-Y151 WeakPolarHBondContact O-CB 3.3Å; N148-Y151 PolarHBondContact O-N 3.47Å; N148-Y151 VanDerWaalsContact O-N 3.16Å; I149-Y151 PolarHBondContact O-N 3.19Å; Y151-R153 PolarHBondContact O-N 2.89Å; Y151-Q154 VanDerWaalsContact O-CG 3.31Å; Y151-Q154 WeakPolarHBondContact O-CG 3.13Å; Y151-Q154 PolarHBondContact O-NE2 3.35Å; Y151-F155 HydrophobicContact CD1-CE2 4.2Å; Y151-F155 HydrophobicContact CE1-CE2 4.03Å; Y151-F155 HydrophobicContact CE1-CZ 4.05Å |
| 152 | L | 96.5 | Very high | 95 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -74.8 | -12 | -179.4 | -61.8 | -178.6 | 0 | 0 | 0 | 113.4 | L124 F136 I149 K150 Q154 F155 L158 V161 L182 | L124-L152 HydrophobicContact CD1-CD1 3.97Å; L124-L152 HydrophobicContact CD1-CD2 3.96Å; L124-L152 HydrophobicContact CD1-CG 3.81Å; F136-L152 HydrophobicContact CD1-CD1 4.37Å; F136-L152 HydrophobicContact CD1-CD2 3.95Å; F136-L152 HydrophobicContact CE1-CD2 3.97Å; I149-L152 HydrophobicContact CD1-CD1 4.45Å; I149-L152 WeakPolarHBondContact O-CB 3.47Å; I149-L152 PolarHBondContact O-N 3.3Å; K150-L152 PolarHBondContact O-N 3.48Å; L152-Q154 PolarHBondContact O-N 2.91Å; L152-F155 HydrophobicContact CB-CD2 4.25Å; L152-F155 HydrophobicContact CD2-CD2 3.84Å; L152-F155 HydrophobicContact CD2-CE2 3.71Å; L152-F155 WeakPolarHBondContact O-CD2 3.27Å; L152-F155 PolarHBondContact O-N 3.41Å; L152-F155 VanDerWaalsContact O-N 3.13Å; L152-L158 HydrophobicContact CB-CD2 4.04Å; L152-L158 HydrophobicContact CD1-CD2 4.4Å; L152-V161 HydrophobicContact CD1-CG1 4.4Å; L152-V161 HydrophobicContact CD1-CG2 4.42Å; L152-L182 HydrophobicContact CB-CD1 4.11Å; L152-L182 HydrophobicContact CB-CD2 3.76Å; L152-L182 HydrophobicContact CD1-CD1 4.11Å |
| 153 | R | 94.1 | Very high | 95 | Very high | 37 Ų | 37 | 44.5 Ų | 44.5 | 14% | 0.14 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -62.5 | -28.5 | -179.7 | -71.1 | -171.1 | 56.8 | 96.6 | -5.8 | 113.8 | K150 Y151 F155 M181 L182 E216 | K150-R153 VanDerWaalsContact O-CB 3.25Å; K150-R153 WeakPolarHBondContact O-CB 3.47Å; K150-R153 WeakPolarHBondContact O-CG 3.16Å; K150-R153 PolarHBondContact O-N 3.34Å; Y151-R153 PolarHBondContact O-N 2.89Å; R153-F155 PolarHBondContact O-N 2.83Å; R153-M181 WeakPolarHBondContact CD-O 3.45Å; R153-M181 WeakPolarHBondContact CG-O 3.41Å; R153-M181 PolarHBondContact NH1-O 3.22Å; R153-L182 HydrophobicContact CG-CD2 4.09Å; R153-E216 WeakPolarHBondContact CB-OE1 3.31Å; R153-E216 IonicContact CZ-OE1 2.88Å; R153-E216 IonicContact CZ-OE2 3.62Å; R153-E216 IonicContact NE-OE1 2.66Å; R153-E216 PolarHBondContact NE-OE1 2.92Å; R153-E216 IonicContact NE-OE2 3.61Å; R153-E216 IonicContact NH2-OE1 3.15Å; R153-E216 IonicContact NH2-OE2 3.54Å; R153-E216 PolarHBondContact NH2-OE2 3.3Å |
| 154 | Q | 93 | Very high | 94.9 | Very high | 54 Ų | 54 | 49.3 Ų | 49.3 | 25% | 0.252 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -65.9 | -18.2 | 177.7 | 72.6 | -173.4 | -54.4 | 0 | 0 | 113.6 | Y151 L152 R156 | Y151-Q154 VanDerWaalsContact O-CG 3.31Å; Y151-Q154 WeakPolarHBondContact O-CG 3.13Å; Y151-Q154 PolarHBondContact O-NE2 3.35Å; L152-Q154 PolarHBondContact O-N 2.91Å; Q154-R156 PolarHBondContact O-N 3.33Å |
| 155 | F | 95.7 | Very high | 95 | Very high | 6 Ų | 6 | 47.2 Ų | 47.2 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | trans | -87.8 | 81.6 | 179.2 | -54.5 | -61.1 | 0 | 0 | 0 | 110.5 | M127 L130 L133 Y151 L152 R153 H157 L158 | M127-F155 HydrophobicContact CB-CE1 4.27Å; M127-F155 HydrophobicContact CB-CZ 3.66Å; M127-F155 WeakPolarHBondContact O-CE1 3.37Å; M127-F155 WeakPolarHBondContact O-CZ 3.37Å; L130-F155 HydrophobicContact CB-CE1 4.21Å; L130-F155 WeakPolarHBondContact O-CD1 3.24Å; L133-F155 HydrophobicContact CB-CD1 4.37Å; L133-F155 HydrophobicContact CD2-CD1 4.48Å; Y151-F155 HydrophobicContact CD1-CE2 4.2Å; Y151-F155 HydrophobicContact CE1-CE2 4.03Å; Y151-F155 HydrophobicContact CE1-CZ 4.05Å; L152-F155 HydrophobicContact CB-CD2 4.25Å; L152-F155 HydrophobicContact CD2-CD2 3.84Å; L152-F155 HydrophobicContact CD2-CE2 3.71Å; L152-F155 WeakPolarHBondContact O-CD2 3.27Å; L152-F155 PolarHBondContact O-N 3.41Å; L152-F155 VanDerWaalsContact O-N 3.13Å; R153-F155 PolarHBondContact O-N 2.83Å; F155-H157 PolarHBondContact O-N 3.28Å; F155-H157 VanDerWaalsContact O-N 3.11Å; F155-L158 HydrophobicContact CB-CB 3.72Å; F155-L158 HydrophobicContact CB-CD2 4.22Å; F155-L158 HydrophobicContact CB-CG 4.49Å; F155-L158 HydrophobicContact CD2-CD2 4.42Å; F155-L158 WeakPolarHBondContact O-CB 3.45Å; F155-L158 PolarHBondContact O-N 3.42Å | ||
| 156 | R | 92.7 | Very high | 95.2 | Very high | 163 Ų | 163 | 41.7 Ų | 41.7 | 62% | 0.615 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62 | -22.7 | -174.5 | -62.1 | -175.5 | -179.8 | 176.8 | 0.3 | 114.5 | Q154 | Q154-R156 PolarHBondContact O-N 3.33Š|
| 157 | H | 96.4 | Very high | 95.5 | Very high | 111 Ų | 111 | 42.8 Ų | 42.8 | 51% | 0.514 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 1.2 | 177.7 | -63.8 | -58.5 | 0 | 0 | 0 | 113.7 | K131 L133 Q134 F155 Q159 | K131-H157 PolarHBondContact O-CD2 3.32Å; K131-H157 VanDerWaalsContact O-CD2 3.31Å; L133-H157 CarbonylContact O-C 3.32Å; Q134-H157 WeakPolarHBondContact CA-O 3.11Å; Q134-H157 HydrophobicContact CG-CB 4.19Å; Q134-H157 WeakPolarHBondContact CG-O 3.21Å; F155-H157 PolarHBondContact O-N 3.28Å; F155-H157 VanDerWaalsContact O-N 3.11Å; H157-Q159 WeakPolarHBondContact O-CG 3.38Å; H157-Q159 PolarHBondContact O-N 3.39Å |
| 158 | L | 97.4 | Very high | 95.8 | Very high | 8 Ų | 8 | 39.7 Ų | 39.7 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | trans | -68.7 | 118.2 | -177.5 | -170.6 | 65.6 | 0 | 0 | 0 | 111.2 | L133 F136 L152 F155 V161 L182 | L133-L158 HydrophobicContact CD2-CD1 4.47Å; L133-L158 HydrophobicContact CG-CD1 4.35Å; L133-L158 WeakPolarHBondContact O-CA 3.47Å; L133-L158 PolarHBondContact O-N 3.46Å; F136-L158 HydrophobicContact CB-CD1 3.78Å; L152-L158 HydrophobicContact CB-CD2 4.04Å; L152-L158 HydrophobicContact CD1-CD2 4.4Å; F155-L158 HydrophobicContact CB-CB 3.72Å; F155-L158 HydrophobicContact CB-CD2 4.22Å; F155-L158 HydrophobicContact CB-CG 4.49Å; F155-L158 HydrophobicContact CD2-CD2 4.42Å; F155-L158 WeakPolarHBondContact O-CB 3.45Å; F155-L158 PolarHBondContact O-N 3.42Å; L158-V161 HydrophobicContact CD1-CG2 4.05Å; L158-V161 HydrophobicContact CD2-CG2 3.54Å; L158-V161 HydrophobicContact CG-CG2 3.79Å; L158-L182 HydrophobicContact CD2-CD1 4.47Å | ||
| 159 | Q | 96.7 | Very high | 96 | Very high | 79 Ų | 79 | 39.6 Ų | 39.6 | 37% | 0.369 | 19% | 0.193 | S | C | . | . | trans | -115.9 | -31.1 | -173.5 | -74.5 | 178.9 | 23.2 | 0 | 0 | 112.7 | Q134 H157 L185 F186 Y187 | Q134-Q159 PolarHBondContact O-N 2.91Å; H157-Q159 WeakPolarHBondContact O-CG 3.38Å; H157-Q159 PolarHBondContact O-N 3.39Å; Q159-L185 WeakPolarHBondContact O-CD1 3.26Å; Q159-F186 HydrophobicContact CB-CD2 3.82Å; Q159-F186 HydrophobicContact CG-CD2 3.6Å; Q159-F186 HydrophobicContact CG-CE2 3.85Å; Q159-F186 WeakPolarHBondContact O-CA 3.37Å; Q159-F186 PolarHBondContact O-N 2.96Å; Q159-Y187 PolarHBondContact O-N 3.02Å | ||
| 160 | S | 97.8 | Very high | 96 | Very high | 22 Ų | 22 | 48 Ų | 48 | 15% | 0.154 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 127.9 | -177.8 | -171.3 | 0 | 0 | 0 | 0 | 110.7 | Q134 F136 Y187 | Q134-S160 PolarHBondContact O-N 3.15Å; F136-S160 PolarHBondContact N-O 3.48Å; S160-Y187 WeakPolarHBondContact CA-O 3.19Å |
| 161 | V | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 129.2 | 175.4 | 174.9 | 0 | 0 | 0 | 0 | 109.5 | F136 L152 L158 L163 L182 L185 Y187 L188 D189 | F136-V161 CarbonylContact O-C 3.56Å; F136-V161 VanDerWaalsContact O-CA 3.26Å; F136-V161 WeakPolarHBondContact O-CA 3.28Å; L152-V161 HydrophobicContact CD1-CG1 4.4Å; L152-V161 HydrophobicContact CD1-CG2 4.42Å; L158-V161 HydrophobicContact CD1-CG2 4.05Å; L158-V161 HydrophobicContact CD2-CG2 3.54Å; L158-V161 HydrophobicContact CG-CG2 3.79Å; V161-L163 HydrophobicContact CG1-CD1 3.59Å; V161-L163 HydrophobicContact CG1-CG 3.72Å; V161-L182 HydrophobicContact CG2-CD1 4.3Å; V161-L185 HydrophobicContact CB-CD1 3.95Å; V161-L185 HydrophobicContact CB-CD2 4.5Å; V161-L185 HydrophobicContact CG2-CD1 3.63Å; V161-Y187 PolarHBondContact N-O 3.09Å; V161-L188 CarbonylContact O-C 3.37Å; V161-L188 WeakPolarHBondContact O-CA 3.25Å; V161-D189 PolarHBondContact O-N 2.74Å |
| 162 | C | 97.5 | Very high | 95.7 | Very high | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.02 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 116.6 | 167.6 | -179.4 | 0 | 0 | 0 | 0 | 109.6 | F136 V138 G139 Y190 | F136-C162 PolarHBondContact O-N 2.92Å; V138-C162 CarbonylContact C-O 3.6Å; V138-C162 PolarHBondContact N-O 3.35Å; G139-C162 PolarHBondContact N-O 2.92Å; C162-Y190 HydrophobicContact CB-CE1 4.46Å; C162-Y190 HydrophobicContact CB-CE2 4.26Å; C162-Y190 WeakPolarHBondContact SG-CE2 3.49Å; C162-Y190 VanDerWaalsContact SG-CZ 3.54Å; C162-Y190 PolarHBondContact SG-OH 3.01Å; C162-Y190 VanDerWaalsContact SG-OH 3.39Å |
| 163 | L | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -122 | -1.3 | 177.5 | -80.4 | 159.4 | 0 | 0 | 0 | 111 | V138 I143 I149 V161 G165 N166 Y174 I178 D189 | V138-L163 HydrophobicContact CG1-CD2 3.57Å; V138-L163 HydrophobicContact CG1-CG 4.27Å; I143-L163 HydrophobicContact CD1-CD2 3.87Å; I149-L163 HydrophobicContact CD1-CD1 3.53Å; I149-L163 HydrophobicContact CD1-CD2 4.33Å; V161-L163 HydrophobicContact CG1-CD1 3.59Å; V161-L163 HydrophobicContact CG1-CG 3.72Å; L163-G165 PolarHBondContact O-N 3.29Å; L163-N166 WeakPolarHBondContact O-CB 3.38Å; L163-N166 PolarHBondContact O-N 2.82Å; L163-N166 PolarHBondContact O-ND2 3.5Å; L163-Y174 HydrophobicContact CB-CE2 4.27Å; L163-Y174 WeakPolarHBondContact CB-OH 3.26Å; L163-Y174 HydrophobicContact CD1-CE2 4.32Å; L163-I178 HydrophobicContact CD1-CD1 4.02Å; L163-D189 PolarHBondContact N-OD1 2.96Å | ||
| 164 | H | 96 | Very high | 95.4 | Very high | 101 Ų | 101 | 53.1 Ų | 53.1 | 47% | 0.468 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.3 | 132.5 | 178.7 | -178.1 | 80.4 | 0 | 0 | 0 | 112.5 | G139 N140 N166 D189 | G139-H164 CarbonylContact C-O 3.6Å; G139-H164 WeakPolarHBondContact CA-O 3.33Å; N140-H164 PolarHBondContact N-O 2.85Å; H164-N166 VanDerWaalsContact C-N 3.31Å; H164-D189 HydrophobicContact CB-CB 4.2Å; H164-D189 PolarHBondContact N-OD1 3.18Å |
| 165 | G | 97 | Very high | 95.5 | Very high | 34 Ų | 34 | 55 Ų | 55 | 35% | 0.351 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | -5.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | N140 L163 | N140-G165 WeakPolarHBondContact OD1-CA 3.45Å; L163-G165 PolarHBondContact O-N 3.29Å |
| 166 | N | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -75.4 | 152.1 | 166.9 | -75.7 | -89.5 | 0 | 0 | 0 | 111.5 | V138 N141 Y142 I143 L163 H164 I168 S169 | V138-N166 PolarHBondContact O-ND2 3.15Å; N141-N166 WeakPolarHBondContact CA-OD1 3.18Å; N141-N166 WeakPolarHBondContact CB-OD1 3.35Å; N141-N166 PolarHBondContact N-OD1 3.17Å; N141-N166 PolarHBondContact O-OD1 3.18Å; N141-N166 VanDerWaalsContact O-OD1 3.11Å; Y142-N166 PolarHBondContact N-OD1 2.93Å; I143-N166 HydrophobicContact CB-CB 4.22Å; I143-N166 WeakPolarHBondContact CB-OD1 3.39Å; I143-N166 PolarHBondContact N-OD1 3.21Å; L163-N166 WeakPolarHBondContact O-CB 3.38Å; L163-N166 PolarHBondContact O-N 2.82Å; L163-N166 PolarHBondContact O-ND2 3.5Å; H164-N166 VanDerWaalsContact C-N 3.31Å; N166-I168 HydrophobicContact CB-CG2 3.63Å; N166-I168 PolarHBondContact O-N 2.87Å; N166-I168 VanDerWaalsContact O-N 3.15Å; N166-S169 WeakPolarHBondContact O-CB 3.3Å; N166-S169 PolarHBondContact O-N 3.15Å; N166-S169 PolarHBondContact O-OG 3.47Å |
| 167 | P | 97.6 | Very high | 95.5 | Very high | 49 Ų | 49 | 48.9 Ų | 48.9 | 32% | 0.318 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -50.8 | -36.3 | 173.2 | -26.8 | 32.5 | 0 | 0 | 0 | 114.5 | N141 I143 T144 S169 K170 | N141-P167 WeakPolarHBondContact O-CD 3.32Å; I143-P167 VanDerWaalsContact O-CD 3.25Å; I143-P167 WeakPolarHBondContact O-CD 3.41Å; T144-P167 HydrophobicContact CG2-CB 4.33Å; P167-S169 PolarHBondContact O-N 2.85Å; P167-S169 VanDerWaalsContact O-N 3.16Å; P167-K170 WeakPolarHBondContact O-CB 3.13Å; P167-K170 PolarHBondContact O-N 3.16Å; P167-K170 VanDerWaalsContact O-N 3.09Å |
| 168 | I | 96 | Very high | 95.4 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -53.7 | -31.9 | 175 | -164.3 | -178.3 | 0 | 0 | 0 | 113.3 | I143 E145 L146 I149 N166 K170 N171 Y174 | I143-I168 HydrophobicContact CG2-CB 4.5Å; I143-I168 HydrophobicContact CG2-CD1 4.31Å; I143-I168 HydrophobicContact CG2-CG2 4.39Å; I143-I168 WeakPolarHBondContact O-CB 3.25Å; I143-I168 PolarHBondContact O-N 3.39Å; E145-I168 WeakPolarHBondContact O-CD1 3.45Å; L146-I168 HydrophobicContact CD2-CD1 3.96Å; L146-I168 HydrophobicContact CD2-CG1 3.65Å; L146-I168 HydrophobicContact CG-CG1 4.26Å; I149-I168 HydrophobicContact CD1-CD1 3.71Å; I149-I168 HydrophobicContact CG1-CD1 3.6Å; N166-I168 HydrophobicContact CB-CG2 3.63Å; N166-I168 PolarHBondContact O-N 2.87Å; N166-I168 VanDerWaalsContact O-N 3.15Å; I168-K170 PolarHBondContact O-N 2.57Å; I168-N171 WeakPolarHBondContact O-CB 3.43Å; I168-N171 PolarHBondContact O-N 3.49Å; I168-Y174 HydrophobicContact CG1-CD2 4.2Å; I168-Y174 HydrophobicContact CG2-CD2 4.47Å; I168-Y174 HydrophobicContact CG2-CE2 4.15Å |
| 169 | S | 94.4 | Very high | 95.3 | Very high | 38 Ų | 38 | 43.8 Ų | 43.8 | 27% | 0.266 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -72.2 | -10.2 | -177 | 82.6 | 0 | 0 | 0 | 0 | 113.1 | N166 P167 | N166-S169 WeakPolarHBondContact O-CB 3.3Å; N166-S169 PolarHBondContact O-N 3.15Å; N166-S169 PolarHBondContact O-OG 3.47Å; P167-S169 PolarHBondContact O-N 2.85Å; P167-S169 VanDerWaalsContact O-N 3.16Å |
| 170 | K | 94.5 | Very high | 95.2 | Very high | 176 Ų | 176 | 40.2 Ų | 40.2 | 77% | 0.765 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -87.8 | -6.4 | 175.9 | -60.3 | 178.6 | -178 | 172.9 | 0 | 112.9 | P167 I168 | P167-K170 WeakPolarHBondContact O-CB 3.13Å; P167-K170 PolarHBondContact O-N 3.16Å; P167-K170 VanDerWaalsContact O-N 3.09Å; I168-K170 PolarHBondContact O-N 2.57Å |
| 171 | N | 93.8 | Very high | 95 | Very high | 76 Ų | 76 | 39.1 Ų | 39.1 | 41% | 0.406 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -73.3 | 131.6 | 178.8 | -170.9 | -55 | 0 | 0 | 0 | 110.9 | L146 I168 G173 Y174 | L146-N171 HydrophobicContact CD1-CB 4.43Å; L146-N171 WeakPolarHBondContact CD1-ND2 3.35Å; I168-N171 WeakPolarHBondContact O-CB 3.43Å; I168-N171 PolarHBondContact O-N 3.49Å; N171-G173 PolarHBondContact O-N 3.21Å; N171-G173 PolarHBondContact OD1-N 2.91Å; N171-Y174 WeakPolarHBondContact O-CB 3.29Å; N171-Y174 PolarHBondContact O-N 2.89Å |
| 172 | D | 88.6 | Confident | 94.9 | Very high | 175 Ų | 175 | 39.7 Ų | 39.7 | 94% | 0.936 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -25.8 | -179.1 | -68.3 | -28.7 | 0 | 0 | 0 | 113.5 | ||
| 173 | G | 90.3 | Very high | 94.5 | Very high | 7 Ų | 7 | 42.9 Ų | 42.9 | 7% | 0.072 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -1.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | N171 K175 L176 Y177 | N171-G173 PolarHBondContact O-N 3.21Å; N171-G173 PolarHBondContact OD1-N 2.91Å; G173-K175 PolarHBondContact O-N 3.07Å; G173-L176 PolarHBondContact O-N 3.43Å; G173-Y177 WeakPolarHBondContact O-CB 3.45Å; G173-Y177 PolarHBondContact O-N 3.26Å |
| 174 | Y | 95 | Very high | 94.2 | Very high | 12 Ų | 12 | 47.7 Ų | 47.7 | 5% | 0.047 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -48 | -65.3 | -167.7 | 167.5 | -110.3 | 0 | 0 | 0 | 113.1 | L146 L163 I168 N171 L176 Y177 I178 L188 D189 | L146-Y174 HydrophobicContact CD2-CD2 4.47Å; L163-Y174 HydrophobicContact CB-CE2 4.27Å; L163-Y174 WeakPolarHBondContact CB-OH 3.26Å; L163-Y174 HydrophobicContact CD1-CE2 4.32Å; I168-Y174 HydrophobicContact CG1-CD2 4.2Å; I168-Y174 HydrophobicContact CG2-CD2 4.47Å; I168-Y174 HydrophobicContact CG2-CE2 4.15Å; N171-Y174 WeakPolarHBondContact O-CB 3.29Å; N171-Y174 PolarHBondContact O-N 2.89Å; Y174-L176 VanDerWaalsContact C-N 3.3Å; Y174-L176 PolarHBondContact O-N 3.33Å; Y174-Y177 PolarHBondContact O-N 2.87Å; Y174-I178 HydrophobicContact CD2-CD1 4.07Å; Y174-I178 HydrophobicContact CD2-CG1 3.87Å; Y174-I178 HydrophobicContact CE2-CD1 3.82Å; Y174-I178 HydrophobicContact CE2-CG1 3.61Å; Y174-I178 WeakPolarHBondContact O-CG1 3.49Å; Y174-I178 PolarHBondContact O-N 2.89Å; Y174-L188 HydrophobicContact CE1-CD2 4.42Å; Y174-D189 VanDerWaalsContact CE1-OD2 3.3Å; Y174-D189 WeakPolarHBondContact CE1-OD2 3.16Å; Y174-D189 PolarHBondContact OH-OD1 3.24Å; Y174-D189 PolarHBondContact OH-OD2 3.16Å |
| 175 | K | 93.7 | Very high | 94.1 | Very high | 93 Ų | 93 | 43 Ų | 43 | 40% | 0.404 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58.6 | -40.4 | -176.2 | -65.2 | -167.6 | 177.7 | -167.7 | 0 | 113 | G173 H179 L188 L197 | G173-K175 PolarHBondContact O-N 3.07Å; K175-H179 PolarHBondContact O-CD2 2.86Å; K175-H179 PolarHBondContact O-N 2.81Å; K175-L188 HydrophobicContact CG-CD2 4.4Å; K175-L197 HydrophobicContact CB-CD2 4.47Å |
| 176 | L | 93.7 | Very high | 94 | Very high | 28 Ų | 28 | 46.4 Ų | 46.4 | 15% | 0.147 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.2 | -42.5 | 177.8 | -74.1 | 171 | 0 | 0 | 0 | 111 | G173 Y174 A180 L197 K200 A201 K204 Y205 | G173-L176 PolarHBondContact O-N 3.43Å; Y174-L176 VanDerWaalsContact C-N 3.3Å; Y174-L176 PolarHBondContact O-N 3.33Å; L176-A180 VanDerWaalsContact O-CB 3.29Å; L176-A180 WeakPolarHBondContact O-CB 3.36Å; L176-A180 PolarHBondContact O-N 2.97Å; L176-L197 HydrophobicContact CD2-CD1 3.51Å; L176-L197 HydrophobicContact CD2-CG 4.36Å; L176-L197 HydrophobicContact CG-CD1 4.25Å; L176-K200 HydrophobicContact CD2-CB 4.3Å; L176-K200 HydrophobicContact CD2-CD 4.24Å; L176-K200 HydrophobicContact CD2-CG 4.05Å; L176-A201 HydrophobicContact CB-CB 4.49Å; L176-A201 HydrophobicContact CD2-CB 4.01Å; L176-A201 WeakPolarHBondContact O-CB 3.22Å; L176-K204 HydrophobicContact CD1-CD 4.18Å; L176-Y205 HydrophobicContact CB-CE2 4.16Å |
| 177 | Y | 95 | Very high | 93.9 | Very high | 14 Ų | 14 | 51.8 Ų | 51.8 | 6% | 0.055 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.7 | -45.3 | 179.6 | -168.5 | -92.5 | 0 | 0 | 0 | 111.6 | L146 I149 K150 G173 Y174 H179 A180 M181 Y205 E208 | L146-Y177 HydrophobicContact CB-CD1 3.9Å; L146-Y177 HydrophobicContact CB-CE1 3.89Å; L146-Y177 HydrophobicContact CB-CG 4.3Å; L146-Y177 HydrophobicContact CD1-CD2 4.38Å; L146-Y177 HydrophobicContact CD1-CG 4.13Å; L146-Y177 HydrophobicContact CD2-CD1 3.9Å; L146-Y177 HydrophobicContact CD2-CG 4.1Å; L146-Y177 HydrophobicContact CG-CD1 4.33Å; L146-Y177 HydrophobicContact CG-CG 4.43Å; L146-Y177 WeakPolarHBondContact O-CE1 3.38Å; I149-Y177 HydrophobicContact CB-CD1 4.39Å; I149-Y177 HydrophobicContact CB-CE1 4.13Å; K150-Y177 WeakPolarHBondContact CE-OH 3.44Å; G173-Y177 WeakPolarHBondContact O-CB 3.45Å; G173-Y177 PolarHBondContact O-N 3.26Å; Y174-Y177 PolarHBondContact O-N 2.87Å; Y177-H179 PolarHBondContact O-N 3.44Å; Y177-A180 PolarHBondContact O-N 3.39Å; Y177-M181 HydrophobicContact CD1-CG 3.89Å; Y177-M181 HydrophobicContact CD2-CE 4.45Å; Y177-M181 HydrophobicContact CE1-CG 3.47Å; Y177-M181 VanDerWaalsContact CE1-CG 3.47Å; Y177-M181 HydrophobicContact CE2-CE 3.81Å; Y177-M181 HydrophobicContact CE2-CG 4.26Å; Y177-M181 HydrophobicContact CG-CG 4.45Å; Y177-M181 WeakPolarHBondContact O-CG 3.46Å; Y177-M181 PolarHBondContact O-N 3.28Å; Y177-Y205 HydrophobicContact CD2-CD1 4.21Å; Y177-Y205 AromaticContact CD2-CE1 3.71Å; Y177-Y205 HydrophobicContact CD2-CE1 3.71Å; Y177-Y205 HydrophobicContact CD2-CE2 4.21Å; Y177-Y205 AromaticContact CD2-CZ 3.7Å; Y177-Y205 HydrophobicContact CE2-CD1 4.48Å; Y177-Y205 HydrophobicContact CE2-CE1 4.26Å; Y177-E208 PolarHBondContact OH-OE1 3.37Å |
| 178 | I | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.3 | -47.8 | 177.9 | -54.7 | -50.1 | 0 | 0 | 0 | 111 | I149 L163 Y174 A180 M181 L182 L185 L188 | I149-I178 HydrophobicContact CB-CD1 4.06Å; I149-I178 HydrophobicContact CD1-CD1 3.63Å; I149-I178 HydrophobicContact CG1-CD1 3.4Å; I149-I178 HydrophobicContact CG2-CD1 3.63Å; L163-I178 HydrophobicContact CD1-CD1 4.02Å; Y174-I178 HydrophobicContact CD2-CD1 4.07Å; Y174-I178 HydrophobicContact CD2-CG1 3.87Å; Y174-I178 HydrophobicContact CE2-CD1 3.82Å; Y174-I178 HydrophobicContact CE2-CG1 3.61Å; Y174-I178 WeakPolarHBondContact O-CG1 3.49Å; Y174-I178 PolarHBondContact O-N 2.89Å; I178-A180 VanDerWaalsContact C-N 3.31Å; I178-A180 PolarHBondContact O-N 3.35Å; I178-M181 PolarHBondContact O-N 3.07Å; I178-L182 HydrophobicContact CG2-CD1 3.99Å; I178-L182 WeakPolarHBondContact O-CB 3.44Å; I178-L182 PolarHBondContact O-N 3.45Å; I178-L185 HydrophobicContact CG2-CD2 3.86Å; I178-L188 HydrophobicContact CB-CD1 4.5Å; I178-L188 HydrophobicContact CB-CD2 3.89Å; I178-L188 HydrophobicContact CG1-CD1 4.43Å; I178-L188 HydrophobicContact CG1-CD2 4.13Å; I178-L188 HydrophobicContact CG2-CD1 3.89Å; I178-L188 HydrophobicContact CG2-CD2 3.99Å |
| 179 | H | 94.4 | Very high | 93.9 | Very high | 11 Ų | 11 | 50.7 Ų | 50.7 | 5% | 0.051 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.1 | -26.7 | -179.3 | -69.5 | -43.4 | 0 | 0 | 0 | 113.9 | K175 Y177 T193 L197 A201 | K175-H179 PolarHBondContact O-CD2 2.86Å; K175-H179 PolarHBondContact O-N 2.81Å; Y177-H179 PolarHBondContact O-N 3.44Å; H179-T193 WeakPolarHBondContact CE1-CG2 3.42Å; H179-T193 PolarHBondContact CE1-OG1 3.22Å; H179-T193 WeakPolarHBondContact ND1-CG2 3.45Å; H179-L197 WeakPolarHBondContact CD2-CD2 3.47Å; H179-A201 HydrophobicContact CB-CB 4.02Å |
| 180 | A | 94.4 | Very high | 93.8 | Very high | 4 Ų | 4 | 56.1 Ų | 56.1 | 3% | 0.033 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.9 | -48.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L176 Y177 I178 A201 Y205 I209 | L176-A180 VanDerWaalsContact O-CB 3.29Å; L176-A180 WeakPolarHBondContact O-CB 3.36Å; L176-A180 PolarHBondContact O-N 2.97Å; Y177-A180 PolarHBondContact O-N 3.39Å; I178-A180 VanDerWaalsContact C-N 3.31Å; I178-A180 PolarHBondContact O-N 3.35Å; A180-A201 HydrophobicContact CB-CB 4.01Å; A180-Y205 HydrophobicContact CB-CD2 3.43Å; A180-Y205 VanDerWaalsContact CB-CD2 3.43Å; A180-Y205 HydrophobicContact CB-CE2 4.23Å; A180-Y205 HydrophobicContact CB-CG 4.04Å; A180-I209 HydrophobicContact CB-CD1 3.94Å |
| 181 | M | 94.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -73.4 | -31 | -179 | -65.2 | -59.7 | 138.4 | 0 | 0 | 112.2 | I149 K150 R153 Y177 I178 P183 E208 I209 I212 | I149-M181 HydrophobicContact CG2-CB 4.02Å; K150-M181 HydrophobicContact CG-SD 4.04Å; R153-M181 WeakPolarHBondContact CD-O 3.45Å; R153-M181 WeakPolarHBondContact CG-O 3.41Å; R153-M181 PolarHBondContact NH1-O 3.22Å; Y177-M181 HydrophobicContact CD1-CG 3.89Å; Y177-M181 HydrophobicContact CD2-CE 4.45Å; Y177-M181 HydrophobicContact CE1-CG 3.47Å; Y177-M181 VanDerWaalsContact CE1-CG 3.47Å; Y177-M181 HydrophobicContact CE2-CE 3.81Å; Y177-M181 HydrophobicContact CE2-CG 4.26Å; Y177-M181 HydrophobicContact CG-CG 4.45Å; Y177-M181 WeakPolarHBondContact O-CG 3.46Å; Y177-M181 PolarHBondContact O-N 3.28Å; I178-M181 PolarHBondContact O-N 3.07Å; M181-P183 VanDerWaalsContact O-CD 3.28Å; M181-P183 WeakPolarHBondContact O-CD 3.48Å; M181-E208 HydrophobicContact CE-CG 4.08Å; M181-I209 HydrophobicContact CE-CG1 4.3Å; M181-I212 HydrophobicContact CE-CD1 4.31Å; M181-I212 HydrophobicContact SD-CD1 3.85Å |
| 182 | L | 94.5 | Very high | 93.9 | Very high | 12 Ų | 12 | 59.5 Ų | 59.5 | 6% | 0.063 | 28% | 0.275 | C | S | . | . | trans | -118.8 | 77.3 | -177.3 | -52.9 | -179.7 | 0 | 0 | 0 | 111 | I149 L152 R153 L158 V161 I178 N184 L185 | I149-L182 HydrophobicContact CG2-CD1 4.12Å; I149-L182 HydrophobicContact CG2-CG 4.15Å; L152-L182 HydrophobicContact CB-CD1 4.11Å; L152-L182 HydrophobicContact CB-CD2 3.76Å; L152-L182 HydrophobicContact CD1-CD1 4.11Å; R153-L182 HydrophobicContact CG-CD2 4.09Å; L158-L182 HydrophobicContact CD2-CD1 4.47Å; V161-L182 HydrophobicContact CG2-CD1 4.3Å; I178-L182 HydrophobicContact CG2-CD1 3.99Å; I178-L182 WeakPolarHBondContact O-CB 3.44Å; I178-L182 PolarHBondContact O-N 3.45Å; L182-N184 VanDerWaalsContact C-N 3.28Å; L182-N184 PolarHBondContact O-N 2.88Å; L182-L185 HydrophobicContact CB-CB 4.15Å; L182-L185 VanDerWaalsContact O-CB 3.28Å; L182-L185 WeakPolarHBondContact O-CB 3.42Å; L182-L185 PolarHBondContact O-N 3.31Å | ||
| 183 | P | 88.9 | Confident | 93.9 | Very high | 69 Ų | 69 | 51.9 Ų | 51.9 | 45% | 0.448 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -30.5 | -172.1 | 24.2 | -34.4 | 0 | 0 | 0 | 113.7 | M181 L185 K198 | M181-P183 VanDerWaalsContact O-CD 3.28Å; M181-P183 WeakPolarHBondContact O-CD 3.48Å; P183-L185 VanDerWaalsContact C-N 3.27Å; P183-L185 PolarHBondContact O-N 3.26Å; P183-K198 PolarHBondContact O-NZ 3.32Å |
| 184 | N | 90.9 | Very high | 94 | Very high | 102 Ų | 102 | 55.8 Ų | 55.8 | 55% | 0.545 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 0.6 | -178.1 | -64.4 | -25.2 | 0 | 0 | 0 | 113.9 | L182 F186 | L182-N184 VanDerWaalsContact C-N 3.28Å; L182-N184 PolarHBondContact O-N 2.88Å; N184-F186 PolarHBondContact O-N 2.86Å |
| 185 | L | 94.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | trans | -67.8 | 125.9 | -176.6 | -164.3 | 71.8 | 0 | 0 | 0 | 111.7 | Q159 V161 I178 L182 P183 Y187 L188 T193 K198 | Q159-L185 WeakPolarHBondContact O-CD1 3.26Å; V161-L185 HydrophobicContact CB-CD1 3.95Å; V161-L185 HydrophobicContact CB-CD2 4.5Å; V161-L185 HydrophobicContact CG2-CD1 3.63Å; I178-L185 HydrophobicContact CG2-CD2 3.86Å; L182-L185 HydrophobicContact CB-CB 4.15Å; L182-L185 VanDerWaalsContact O-CB 3.28Å; L182-L185 WeakPolarHBondContact O-CB 3.42Å; L182-L185 PolarHBondContact O-N 3.31Å; P183-L185 VanDerWaalsContact C-N 3.27Å; P183-L185 PolarHBondContact O-N 3.26Å; L185-Y187 WeakPolarHBondContact CG-O 3.2Å; L185-L188 HydrophobicContact CD2-CB 3.85Å; L185-L188 HydrophobicContact CD2-CD1 4.26Å; L185-T193 PolarHBondContact O-OG1 3.03Å; L185-K198 VanDerWaalsContact O-CE 3.31Å; L185-K198 WeakPolarHBondContact O-CE 3.18Å; L185-K198 PolarHBondContact O-NZ 3.31Å | ||
| 186 | F | 95.1 | Very high | 93.7 | Very high | 107 Ų | 107 | 64.4 Ų | 64.4 | 47% | 0.469 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -94 | -33.9 | 174.6 | -69.2 | -54.2 | 0 | 0 | 0 | 113 | Q159 N184 R192 T193 | Q159-F186 HydrophobicContact CB-CD2 3.82Å; Q159-F186 HydrophobicContact CG-CD2 3.6Å; Q159-F186 HydrophobicContact CG-CE2 3.85Å; Q159-F186 WeakPolarHBondContact O-CA 3.37Å; Q159-F186 PolarHBondContact O-N 2.96Å; N184-F186 PolarHBondContact O-N 2.86Å; F186-R192 CarbonylContact O-C 3.3Å; F186-R192 WeakPolarHBondContact O-CA 3.46Å; F186-T193 PolarHBondContact O-N 2.84Å; F186-T193 PolarHBondContact O-OG1 2.77Å |
| 187 | Y | 96.9 | Very high | 93.5 | Very high | 112 Ų | 112 | 65.4 Ų | 65.4 | 44% | 0.439 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 126.8 | -179.3 | -64.3 | -86.5 | 0 | 0 | 0 | 111.1 | Q159 S160 V161 L185 Q191 R192 | Q159-Y187 PolarHBondContact O-N 3.02Å; S160-Y187 WeakPolarHBondContact CA-O 3.19Å; V161-Y187 PolarHBondContact N-O 3.09Å; L185-Y187 WeakPolarHBondContact CG-O 3.2Å; Y187-Q191 CarbonylContact C-O 3.48Å; Y187-Q191 VanDerWaalsContact CA-O 3.3Å; Y187-Q191 WeakPolarHBondContact CA-O 3.46Å; Y187-R192 HydrophobicContact CD1-CB 4.25Å; Y187-R192 HydrophobicContact CE1-CB 3.99Å; Y187-R192 HydrophobicContact CE1-CG 4.48Å |
| 188 | L | 96.7 | Very high | 93.3 | Very high | 6 Ų | 6 | 66.8 Ų | 66.8 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 123.8 | 168.5 | 178 | 58 | 0 | 0 | 0 | 108.5 | V161 Y174 K175 I178 L185 Y190 Q191 | V161-L188 CarbonylContact O-C 3.37Å; V161-L188 WeakPolarHBondContact O-CA 3.25Å; Y174-L188 HydrophobicContact CE1-CD2 4.42Å; K175-L188 HydrophobicContact CG-CD2 4.4Å; I178-L188 HydrophobicContact CB-CD1 4.5Å; I178-L188 HydrophobicContact CB-CD2 3.89Å; I178-L188 HydrophobicContact CG1-CD1 4.43Å; I178-L188 HydrophobicContact CG1-CD2 4.13Å; I178-L188 HydrophobicContact CG2-CD1 3.89Å; I178-L188 HydrophobicContact CG2-CD2 3.99Å; L185-L188 HydrophobicContact CD2-CB 3.85Å; L185-L188 HydrophobicContact CD2-CD1 4.26Å; L188-Y190 VanDerWaalsContact C-N 3.25Å; L188-Y190 PolarHBondContact O-N 3.36Å; L188-Q191 PolarHBondContact N-O 3.31Å; L188-Q191 WeakPolarHBondContact O-CB 3.38Å; L188-Q191 PolarHBondContact O-N 3.39Å |
| 189 | D | 96.2 | Very high | 93.2 | Very high | 22 Ų | 22 | 70 Ų | 70 | 12% | 0.118 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52 | 45.5 | 178.3 | -59 | -34.2 | 0 | 0 | 0 | 112.4 | V161 L163 H164 Y174 Q191 | V161-D189 PolarHBondContact O-N 2.74Å; L163-D189 PolarHBondContact N-OD1 2.96Å; H164-D189 HydrophobicContact CB-CB 4.2Å; H164-D189 PolarHBondContact N-OD1 3.18Å; Y174-D189 VanDerWaalsContact CE1-OD2 3.3Å; Y174-D189 WeakPolarHBondContact CE1-OD2 3.16Å; Y174-D189 PolarHBondContact OH-OD1 3.24Å; Y174-D189 PolarHBondContact OH-OD2 3.16Å; D189-Q191 PolarHBondContact O-N 3.01Å; D189-Q191 VanDerWaalsContact O-N 3.09Å |
| 190 | Y | 93.4 | Very high | 93.2 | Very high | 152 Ų | 152 | 75.5 Ų | 75.5 | 60% | 0.596 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 9.1 | -176.8 | -43.4 | -75.3 | 0 | 0 | 0 | 115.1 | C162 L188 | C162-Y190 HydrophobicContact CB-CE1 4.46Å; C162-Y190 HydrophobicContact CB-CE2 4.26Å; C162-Y190 WeakPolarHBondContact SG-CE2 3.49Å; C162-Y190 VanDerWaalsContact SG-CZ 3.54Å; C162-Y190 PolarHBondContact SG-OH 3.01Å; C162-Y190 VanDerWaalsContact SG-OH 3.39Å; L188-Y190 VanDerWaalsContact C-N 3.25Å; L188-Y190 PolarHBondContact O-N 3.36Å |
| 191 | Q | 94.3 | Very high | 93.1 | Very high | 113 Ų | 113 | 75.3 Ų | 75.3 | 53% | 0.528 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 132.1 | 174.4 | -60.8 | -175.6 | -15 | 0 | 0 | 109.8 | Y187 L188 D189 T193 | Y187-Q191 CarbonylContact C-O 3.48Å; Y187-Q191 VanDerWaalsContact CA-O 3.3Å; Y187-Q191 WeakPolarHBondContact CA-O 3.46Å; L188-Q191 PolarHBondContact N-O 3.31Å; L188-Q191 WeakPolarHBondContact O-CB 3.38Å; L188-Q191 PolarHBondContact O-N 3.39Å; D189-Q191 PolarHBondContact O-N 3.01Å; D189-Q191 VanDerWaalsContact O-N 3.09Å; Q191-T193 PolarHBondContact O-N 2.75Å |
| 192 | R | 94.9 | Very high | 93 | Very high | 210 Ų | 210 | 80.2 Ų | 80.2 | 79% | 0.792 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 132.5 | 173.4 | -175.8 | 177.1 | 175.7 | 177.1 | 0.3 | 109.6 | F186 Y187 | F186-R192 CarbonylContact O-C 3.3Å; F186-R192 WeakPolarHBondContact O-CA 3.46Å; Y187-R192 HydrophobicContact CD1-CB 4.25Å; Y187-R192 HydrophobicContact CE1-CB 3.99Å; Y187-R192 HydrophobicContact CE1-CG 4.48Å |
| 193 | T | 90.3 | Very high | 93 | Very high | 15 Ų | 15 | 86.3 Ų | 86.3 | 9% | 0.092 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 135.5 | 177 | -50.6 | 0 | 0 | 0 | 0 | 111.2 | H179 L185 F186 Q191 K198 | H179-T193 WeakPolarHBondContact CE1-CG2 3.42Å; H179-T193 PolarHBondContact CE1-OG1 3.22Å; H179-T193 WeakPolarHBondContact ND1-CG2 3.45Å; L185-T193 PolarHBondContact O-OG1 3.03Å; F186-T193 PolarHBondContact O-N 2.84Å; F186-T193 PolarHBondContact O-OG1 2.77Å; Q191-T193 PolarHBondContact O-N 2.75Å; T193-K198 HydrophobicContact CG2-CD 3.92Å; T193-K198 HydrophobicContact CG2-CG 3.54Å |
| 194 | D | 90.5 | Very high | 93.3 | Very high | 89 Ų | 89 | 88.6 Ų | 88.6 | 48% | 0.476 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -92.1 | 129.2 | 173.1 | 178.7 | 1.3 | 0 | 0 | 0 | 110.5 | K196 L197 K198 | D194-K196 PolarHBondContact O-N 3.5Å; D194-K196 PolarHBondContact OD1-N 3.43Å; D194-L197 HydrophobicContact CB-CB 4.14Å; D194-L197 WeakPolarHBondContact O-CB 3.42Å; D194-L197 PolarHBondContact O-N 3.06Å; D194-K198 PolarHBondContact O-N 3.18Å |
| 195 | D | 89.6 | Confident | 93.4 | Very high | 119 Ų | 119 | 85.3 Ų | 85.3 | 64% | 0.636 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -59 | -35 | 179 | -64.4 | -30.7 | 0 | 0 | 0 | 112.3 | L197 K198 S199 | D195-L197 VanDerWaalsContact C-N 3.28Å; D195-L197 PolarHBondContact O-N 2.83Å; D195-K198 WeakPolarHBondContact O-CB 3.49Å; D195-K198 PolarHBondContact O-N 3.11Å; D195-S199 PolarHBondContact O-N 2.87Å; D195-S199 PolarHBondContact O-OG 3.39Å |
| 196 | K | 92.8 | Very high | 93.4 | Very high | 167 Ų | 167 | 89.5 Ų | 89.5 | 73% | 0.726 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64.2 | -36.9 | 175.8 | -67.7 | -179.7 | -179.8 | 176.8 | 0 | 111.9 | D194 K200 | D194-K196 PolarHBondContact O-N 3.5Å; D194-K196 PolarHBondContact OD1-N 3.43Å; K196-K200 PolarHBondContact O-N 2.91Å; K196-K200 VanDerWaalsContact O-N 3.15Å |
| 197 | L | 91.1 | Very high | 93.3 | Very high | 48 Ų | 48 | 91.5 Ų | 91.5 | 25% | 0.251 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -69.6 | -38.4 | 176.9 | -173.6 | 66.1 | 0 | 0 | 0 | 110.7 | K175 L176 H179 D194 D195 K200 A201 | K175-L197 HydrophobicContact CB-CD2 4.47Å; L176-L197 HydrophobicContact CD2-CD1 3.51Å; L176-L197 HydrophobicContact CD2-CG 4.36Å; L176-L197 HydrophobicContact CG-CD1 4.25Å; H179-L197 WeakPolarHBondContact CD2-CD2 3.47Å; D194-L197 HydrophobicContact CB-CB 4.14Å; D194-L197 WeakPolarHBondContact O-CB 3.42Å; D194-L197 PolarHBondContact O-N 3.06Å; D195-L197 VanDerWaalsContact C-N 3.28Å; D195-L197 PolarHBondContact O-N 2.83Å; L197-K200 PolarHBondContact O-N 2.74Å; L197-A201 WeakPolarHBondContact O-CB 3.33Å; L197-A201 PolarHBondContact O-N 2.96Å |
| 198 | K | 90.3 | Very high | 93.2 | Very high | 44 Ų | 44 | 88.8 Ų | 88.8 | 19% | 0.191 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -60.3 | -47.9 | 173.4 | -66.7 | -170 | 175.7 | -165.7 | 0 | 111.9 | P183 L185 T193 D194 D195 K200 A201 Y202 | P183-K198 PolarHBondContact O-NZ 3.32Å; L185-K198 VanDerWaalsContact O-CE 3.31Å; L185-K198 WeakPolarHBondContact O-CE 3.18Å; L185-K198 PolarHBondContact O-NZ 3.31Å; T193-K198 HydrophobicContact CG2-CD 3.92Å; T193-K198 HydrophobicContact CG2-CG 3.54Å; D194-K198 PolarHBondContact O-N 3.18Å; D195-K198 WeakPolarHBondContact O-CB 3.49Å; D195-K198 PolarHBondContact O-N 3.11Å; K198-K200 PolarHBondContact O-N 2.97Å; K198-A201 WeakPolarHBondContact O-CB 3.16Å; K198-A201 PolarHBondContact O-N 2.95Å; K198-Y202 PolarHBondContact O-N 3.26Å |
| 199 | S | 92.2 | Very high | 93 | Very high | 68 Ų | 68 | 89 Ų | 89 | 48% | 0.476 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.6 | -47.3 | 178.3 | -57.9 | 0 | 0 | 0 | 0 | 111.6 | D195 A201 Y202 E203 | D195-S199 PolarHBondContact O-N 2.87Å; D195-S199 PolarHBondContact O-OG 3.39Å; S199-A201 VanDerWaalsContact C-N 3.33Å; S199-A201 PolarHBondContact O-N 3.44Å; S199-Y202 PolarHBondContact O-N 3.07Å; S199-E203 WeakPolarHBondContact O-CG 3.26Å; S199-E203 PolarHBondContact O-N 2.83Å |
| 200 | K | 94.4 | Very high | 93 | Very high | 126 Ų | 126 | 91.2 Ų | 91.2 | 55% | 0.548 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.7 | -37.1 | 177.2 | -176.2 | 177.3 | 178.6 | 179.6 | 0 | 112.9 | L176 K196 L197 K198 K204 | L176-K200 HydrophobicContact CD2-CB 4.3Å; L176-K200 HydrophobicContact CD2-CD 4.24Å; L176-K200 HydrophobicContact CD2-CG 4.05Å; K196-K200 PolarHBondContact O-N 2.91Å; K196-K200 VanDerWaalsContact O-N 3.15Å; L197-K200 PolarHBondContact O-N 2.74Å; K198-K200 PolarHBondContact O-N 2.97Å; K200-K204 WeakPolarHBondContact O-CB 3.32Å; K200-K204 PolarHBondContact O-N 3.24Å; K200-K204 VanDerWaalsContact O-N 3.11Å |
| 201 | A | 93.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 90 Ų | 90 | 0% | 0 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -63.5 | -49.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | L176 H179 A180 L197 K198 S199 K204 Y205 | L176-A201 HydrophobicContact CB-CB 4.49Å; L176-A201 HydrophobicContact CD2-CB 4.01Å; L176-A201 WeakPolarHBondContact O-CB 3.22Å; H179-A201 HydrophobicContact CB-CB 4.02Å; A180-A201 HydrophobicContact CB-CB 4.01Å; L197-A201 WeakPolarHBondContact O-CB 3.33Å; L197-A201 PolarHBondContact O-N 2.96Å; K198-A201 WeakPolarHBondContact O-CB 3.16Å; K198-A201 PolarHBondContact O-N 2.95Å; S199-A201 VanDerWaalsContact C-N 3.33Å; S199-A201 PolarHBondContact O-N 3.44Å; A201-K204 PolarHBondContact O-N 3.01Å; A201-Y205 VanDerWaalsContact O-CD2 3.32Å; A201-Y205 WeakPolarHBondContact O-CD2 3.4Å; A201-Y205 PolarHBondContact O-N 3.16Å; A201-Y205 VanDerWaalsContact O-N 3.17Å |
| 202 | Y | 91.8 | Very high | 93 | Very high | 102 Ų | 102 | 85.3 Ų | 85.3 | 40% | 0.4 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.2 | -49 | 177.3 | -176.9 | -98.8 | 0 | 0 | 0 | 111.7 | K198 S199 K204 Y205 Q206 I209 D210 | K198-Y202 PolarHBondContact O-N 3.26Å; S199-Y202 PolarHBondContact O-N 3.07Å; Y202-K204 PolarHBondContact O-N 3.43Å; Y202-Y205 CarbonylContact O-C 3.55Å; Y202-Y205 PolarHBondContact O-N 3.11Å; Y202-Q206 HydrophobicContact CE1-CG 4.21Å; Y202-Q206 VanDerWaalsContact O-CA 3.31Å; Y202-Q206 WeakPolarHBondContact O-CA 3.32Å; Y202-Q206 WeakPolarHBondContact O-CB 3.2Å; Y202-Q206 PolarHBondContact O-N 3.23Å; Y202-I209 HydrophobicContact CD2-CD1 3.58Å; Y202-I209 HydrophobicContact CD2-CG2 4.33Å; Y202-I209 HydrophobicContact CE2-CB 4.38Å; Y202-I209 HydrophobicContact CE2-CD1 4.08Å; Y202-I209 HydrophobicContact CE2-CG2 3.86Å; Y202-I209 HydrophobicContact CG-CD1 4.42Å; Y202-D210 PolarHBondContact OH-OD1 3.47Å |
| 203 | E | 94.1 | Very high | 93 | Very high | 141 Ų | 141 | 77.6 Ų | 77.6 | 66% | 0.659 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -56.4 | -38.1 | 176.6 | -74.6 | 173.1 | -172.3 | 0 | 0 | 112.6 | S199 | S199-E203 WeakPolarHBondContact O-CG 3.26Å; S199-E203 PolarHBondContact O-N 2.83Å |
| 204 | K | 95 | Very high | 93.2 | Very high | 116 Ų | 116 | 80.1 Ų | 80.1 | 50% | 0.504 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -70.4 | -37 | -179.1 | -176.1 | 179.9 | 177.9 | -160.2 | 0 | 113 | L176 K200 A201 Y202 | L176-K204 HydrophobicContact CD1-CD 4.18Å; K200-K204 WeakPolarHBondContact O-CB 3.32Å; K200-K204 PolarHBondContact O-N 3.24Å; K200-K204 VanDerWaalsContact O-N 3.11Å; A201-K204 PolarHBondContact O-N 3.01Å; Y202-K204 PolarHBondContact O-N 3.43Å |
| 205 | Y | 94.2 | Very high | 93.5 | Very high | 33 Ų | 33 | 81.5 Ų | 81.5 | 13% | 0.129 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -112.9 | 17 | -173.3 | -60.9 | -77.2 | 0 | 0 | 0 | 113 | L176 Y177 A180 A201 Y202 L207 E208 I209 | L176-Y205 HydrophobicContact CB-CE2 4.16Å; Y177-Y205 HydrophobicContact CD2-CD1 4.21Å; Y177-Y205 AromaticContact CD2-CE1 3.71Å; Y177-Y205 HydrophobicContact CD2-CE1 3.71Å; Y177-Y205 HydrophobicContact CD2-CE2 4.21Å; Y177-Y205 AromaticContact CD2-CZ 3.7Å; Y177-Y205 HydrophobicContact CE2-CD1 4.48Å; Y177-Y205 HydrophobicContact CE2-CE1 4.26Å; A180-Y205 HydrophobicContact CB-CD2 3.43Å; A180-Y205 VanDerWaalsContact CB-CD2 3.43Å; A180-Y205 HydrophobicContact CB-CE2 4.23Å; A180-Y205 HydrophobicContact CB-CG 4.04Å; A201-Y205 VanDerWaalsContact O-CD2 3.32Å; A201-Y205 WeakPolarHBondContact O-CD2 3.4Å; A201-Y205 PolarHBondContact O-N 3.16Å; A201-Y205 VanDerWaalsContact O-N 3.17Å; Y202-Y205 CarbonylContact O-C 3.55Å; Y202-Y205 PolarHBondContact O-N 3.11Å; Y205-L207 PolarHBondContact O-N 2.88Å; Y205-E208 PolarHBondContact O-N 3.41Å; Y205-E208 VanDerWaalsContact O-N 3.08Å; Y205-I209 WeakPolarHBondContact O-CG1 3.3Å; Y205-I209 PolarHBondContact O-N 3.31Å |
| 206 | Q | 93.5 | Very high | 93.6 | Very high | 90 Ų | 90 | 79.3 Ų | 79.3 | 42% | 0.421 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -50.5 | -51.6 | -171.4 | -176.5 | 177.7 | 11.1 | 0 | 0 | 113 | Y202 E208 I209 D210 | Y202-Q206 HydrophobicContact CE1-CG 4.21Å; Y202-Q206 VanDerWaalsContact O-CA 3.31Å; Y202-Q206 WeakPolarHBondContact O-CA 3.32Å; Y202-Q206 WeakPolarHBondContact O-CB 3.2Å; Y202-Q206 PolarHBondContact O-N 3.23Å; Q206-E208 VanDerWaalsContact C-N 3.33Å; Q206-E208 PolarHBondContact O-N 2.93Å; Q206-I209 PolarHBondContact O-N 2.91Å; Q206-D210 WeakPolarHBondContact CG-OD2 3.46Å; Q206-D210 WeakPolarHBondContact O-CB 3.43Å; Q206-D210 PolarHBondContact O-N 3.46Å |
| 207 | L | 94.1 | Very high | 93.7 | Very high | 148 Ų | 148 | 77.4 Ų | 77.4 | 78% | 0.775 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -59.1 | -42.4 | -179 | -66.1 | 176.1 | 0 | 0 | 0 | 112.8 | Y205 E211 | Y205-L207 PolarHBondContact O-N 2.88Å; L207-E211 PolarHBondContact O-N 3.15Å; L207-E211 VanDerWaalsContact O-N 3.15Å |
| 208 | E | 94 | Very high | 94 | Very high | 56 Ų | 56 | 79 Ų | 79 | 26% | 0.262 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -69.5 | -38.3 | 178.5 | -176.9 | 178.6 | -177.6 | 0 | 0 | 111.1 | K150 Y177 M181 Y205 Q206 I212 | K150-E208 WeakPolarHBondContact CE-OE1 3.28Å; K150-E208 IonicContact NZ-OE1 3.79Å; K150-E208 PolarHBondContact NZ-OE1 2.93Å; Y177-E208 PolarHBondContact OH-OE1 3.37Å; M181-E208 HydrophobicContact CE-CG 4.08Å; Y205-E208 PolarHBondContact O-N 3.41Å; Y205-E208 VanDerWaalsContact O-N 3.08Å; Q206-E208 VanDerWaalsContact C-N 3.33Å; Q206-E208 PolarHBondContact O-N 2.93Å; E208-I212 HydrophobicContact CG-CD1 3.94Å; E208-I212 WeakPolarHBondContact O-CB 3.28Å; E208-I212 WeakPolarHBondContact O-CD1 3.33Å; E208-I212 WeakPolarHBondContact O-CG1 3.41Å; E208-I212 PolarHBondContact O-N 2.81Å |
| 209 | I | 93.4 | Very high | 94.2 | Very high | 9 Ų | 9 | 81.4 Ų | 81.4 | 5% | 0.046 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -67.4 | -44 | 176.9 | -64.7 | 167.6 | 0 | 0 | 0 | 110.6 | A180 M181 Y202 Y205 Q206 E211 I212 V213 | A180-I209 HydrophobicContact CB-CD1 3.94Å; M181-I209 HydrophobicContact CE-CG1 4.3Å; Y202-I209 HydrophobicContact CD2-CD1 3.58Å; Y202-I209 HydrophobicContact CD2-CG2 4.33Å; Y202-I209 HydrophobicContact CE2-CB 4.38Å; Y202-I209 HydrophobicContact CE2-CD1 4.08Å; Y202-I209 HydrophobicContact CE2-CG2 3.86Å; Y202-I209 HydrophobicContact CG-CD1 4.42Å; Y205-I209 WeakPolarHBondContact O-CG1 3.3Å; Y205-I209 PolarHBondContact O-N 3.31Å; Q206-I209 PolarHBondContact O-N 2.91Å; I209-E211 VanDerWaalsContact C-N 3.32Å; I209-E211 PolarHBondContact O-N 3.11Å; I209-I212 PolarHBondContact O-N 3.32Å; I209-V213 HydrophobicContact CG2-CG2 4.02Å; I209-V213 WeakPolarHBondContact O-CB 3.18Å; I209-V213 VanDerWaalsContact O-CG2 3.25Å; I209-V213 WeakPolarHBondContact O-CG2 3.37Å; I209-V213 PolarHBondContact O-N 3.38Å |
| 210 | D | 94.4 | Very high | 94.2 | Very high | 70 Ų | 70 | 82 Ų | 82 | 37% | 0.374 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.9 | -39.6 | -178.6 | -68 | -13.4 | 0 | 0 | 0 | 110.9 | Y202 Q206 S214 | Y202-D210 PolarHBondContact OH-OD1 3.47Å; Q206-D210 WeakPolarHBondContact CG-OD2 3.46Å; Q206-D210 WeakPolarHBondContact O-CB 3.43Å; Q206-D210 PolarHBondContact O-N 3.46Å; D210-S214 WeakPolarHBondContact O-CB 3.47Å; D210-S214 PolarHBondContact O-N 3.06Å |
| 211 | E | 95.6 | Very high | 94.3 | Very high | 125 Ų | 125 | 82.4 Ų | 82.4 | 58% | 0.584 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -61.7 | -52.5 | 172 | -175.9 | 175 | -158.6 | 0 | 0 | 111.6 | L207 I209 V213 S214 E215 | L207-E211 PolarHBondContact O-N 3.15Å; L207-E211 VanDerWaalsContact O-N 3.15Å; I209-E211 VanDerWaalsContact C-N 3.32Å; I209-E211 PolarHBondContact O-N 3.11Å; E211-V213 VanDerWaalsContact C-N 3.34Å; E211-V213 PolarHBondContact O-N 3.25Å; E211-S214 PolarHBondContact O-N 2.87Å; E211-E215 WeakPolarHBondContact O-CG 3.17Å; E211-E215 PolarHBondContact O-N 3.43Å |
| 212 | I | 93.6 | Very high | 94.4 | Very high | 16 Ų | 16 | 86.5 Ų | 86.5 | 8% | 0.082 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -58.7 | -44.5 | 179.2 | -70 | 165.7 | 0 | 0 | 0 | 111.4 | K150 M181 E208 I209 S214 E215 E216 | K150-I212 HydrophobicContact CD-CD1 3.96Å; K150-I212 HydrophobicContact CG-CD1 4.45Å; M181-I212 HydrophobicContact CE-CD1 4.31Å; M181-I212 HydrophobicContact SD-CD1 3.85Å; E208-I212 HydrophobicContact CG-CD1 3.94Å; E208-I212 WeakPolarHBondContact O-CB 3.28Å; E208-I212 WeakPolarHBondContact O-CD1 3.33Å; E208-I212 WeakPolarHBondContact O-CG1 3.41Å; E208-I212 PolarHBondContact O-N 2.81Å; I209-I212 PolarHBondContact O-N 3.32Å; I212-S214 VanDerWaalsContact C-N 3.34Å; I212-S214 PolarHBondContact O-N 2.94Å; I212-E215 PolarHBondContact O-N 2.96Å; I212-E216 HydrophobicContact CG2-CG 4.2Å; I212-E216 WeakPolarHBondContact O-CB 2.9Å; I212-E216 VanDerWaalsContact O-CG 3.26Å; I212-E216 WeakPolarHBondContact O-CG 3.38Å; I212-E216 PolarHBondContact O-N 3.28Å |
| 213 | V | 93.5 | Very high | 94.5 | Very high | 48 Ų | 48 | 85 Ų | 85 | 29% | 0.291 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.1 | -40.3 | -179.5 | 169.1 | 0 | 0 | 0 | 0 | 110.7 | I209 E211 E215 E216 E217 | I209-V213 HydrophobicContact CG2-CG2 4.02Å; I209-V213 WeakPolarHBondContact O-CB 3.18Å; I209-V213 VanDerWaalsContact O-CG2 3.25Å; I209-V213 WeakPolarHBondContact O-CG2 3.37Å; I209-V213 PolarHBondContact O-N 3.38Å; E211-V213 VanDerWaalsContact C-N 3.34Å; E211-V213 PolarHBondContact O-N 3.25Å; V213-E215 VanDerWaalsContact C-N 3.34Å; V213-E215 PolarHBondContact O-N 3.48Å; V213-E216 PolarHBondContact O-N 3.5Å; V213-E217 HydrophobicContact CG1-CG 4.37Å; V213-E217 WeakPolarHBondContact O-CB 3.44Å; V213-E217 WeakPolarHBondContact O-CG 3.14Å; V213-E217 PolarHBondContact O-N 3.44Å |
| 214 | S | 96 | Very high | 94.6 | Very high | 67 Ų | 67 | 84.5 Ų | 84.5 | 47% | 0.469 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.5 | -39.5 | 176.1 | -174.7 | 0 | 0 | 0 | 0 | 112.4 | D210 E211 I212 T218 | D210-S214 WeakPolarHBondContact O-CB 3.47Å; D210-S214 PolarHBondContact O-N 3.06Å; E211-S214 PolarHBondContact O-N 2.87Å; I212-S214 VanDerWaalsContact C-N 3.34Å; I212-S214 PolarHBondContact O-N 2.94Å; S214-T218 WeakPolarHBondContact O-CB 3.47Å; S214-T218 PolarHBondContact O-N 3.3Å; S214-T218 VanDerWaalsContact O-N 3.07Å; S214-T218 PolarHBondContact O-OG1 2.94Å |
| 215 | E | 95.1 | Very high | 94.6 | Very high | 119 Ų | 119 | 83 Ų | 83 | 56% | 0.556 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -65.1 | -45.9 | 173.2 | -69.5 | 178.7 | 165.8 | 0 | 0 | 111.5 | E211 I212 V213 E217 T218 Q219 | E211-E215 WeakPolarHBondContact O-CG 3.17Å; E211-E215 PolarHBondContact O-N 3.43Å; I212-E215 PolarHBondContact O-N 2.96Å; V213-E215 VanDerWaalsContact C-N 3.34Å; V213-E215 PolarHBondContact O-N 3.48Å; E215-E217 PolarHBondContact O-N 3Å; E215-T218 PolarHBondContact O-N 3.39Å; E215-Q219 WeakPolarHBondContact O-CB 3.49Å; E215-Q219 PolarHBondContact O-N 3.43Å |
| 216 | E | 93 | Very high | 94.7 | Very high | 73 Ų | 73 | 90.1 Ų | 90.1 | 34% | 0.341 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.5 | -41.6 | 177.6 | -75.7 | 172.7 | 166.3 | 0 | 0 | 112.2 | R153 I212 V213 L220 | R153-E216 WeakPolarHBondContact CB-OE1 3.31Å; R153-E216 IonicContact CZ-OE1 2.88Å; R153-E216 IonicContact CZ-OE2 3.62Å; R153-E216 IonicContact NE-OE1 2.66Å; R153-E216 PolarHBondContact NE-OE1 2.92Å; R153-E216 IonicContact NE-OE2 3.61Å; R153-E216 IonicContact NH2-OE1 3.15Å; R153-E216 IonicContact NH2-OE2 3.54Å; R153-E216 PolarHBondContact NH2-OE2 3.3Å; I212-E216 HydrophobicContact CG2-CG 4.2Å; I212-E216 WeakPolarHBondContact O-CB 2.9Å; I212-E216 VanDerWaalsContact O-CG 3.26Å; I212-E216 WeakPolarHBondContact O-CG 3.38Å; I212-E216 PolarHBondContact O-N 3.28Å; V213-E216 PolarHBondContact O-N 3.5Å; E216-L220 VanDerWaalsContact O-CB 3.24Å; E216-L220 WeakPolarHBondContact O-CB 3.25Å; E216-L220 PolarHBondContact O-N 2.63Å |
| 217 | E | 95 | Very high | 94.8 | Very high | 127 Ų | 127 | 90.8 Ų | 90.8 | 59% | 0.593 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -66 | -42.7 | 176.2 | -75.8 | -179.8 | 171.7 | 0 | 0 | 111.9 | V213 E215 L220 K221 | V213-E217 HydrophobicContact CG1-CG 4.37Å; V213-E217 WeakPolarHBondContact O-CB 3.44Å; V213-E217 WeakPolarHBondContact O-CG 3.14Å; V213-E217 PolarHBondContact O-N 3.44Å; E215-E217 PolarHBondContact O-N 3Å; E217-L220 PolarHBondContact O-N 3.27Å; E217-K221 PolarHBondContact O-N 3.01Å |
| 218 | T | 97.1 | Very high | 94.9 | Very high | 80 Ų | 80 | 88 Ų | 88 | 49% | 0.491 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.2 | -46.4 | 176.4 | -58.6 | 0 | 0 | 0 | 0 | 110.8 | S214 E215 K221 L222 | S214-T218 WeakPolarHBondContact O-CB 3.47Å; S214-T218 PolarHBondContact O-N 3.3Å; S214-T218 VanDerWaalsContact O-N 3.07Å; S214-T218 PolarHBondContact O-OG1 2.94Å; E215-T218 PolarHBondContact O-N 3.39Å; T218-K221 WeakPolarHBondContact O-CB 3.33Å; T218-K221 PolarHBondContact O-N 3.06Å; T218-L222 HydrophobicContact CG2-CD1 4.39Å; T218-L222 WeakPolarHBondContact O-CG 3.35Å; T218-L222 PolarHBondContact O-N 3.41Å |
| 219 | Q | 93.7 | Very high | 94.9 | Very high | 95 Ų | 95 | 89.4 Ų | 89.4 | 44% | 0.444 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 178 | -172.6 | 59.1 | 46.5 | 0 | 0 | 111.5 | E215 K221 L222 D223 | E215-Q219 WeakPolarHBondContact O-CB 3.49Å; E215-Q219 PolarHBondContact O-N 3.43Å; Q219-K221 VanDerWaalsContact C-N 3.27Å; Q219-K221 PolarHBondContact O-N 2.71Å; Q219-L222 PolarHBondContact O-N 3.17Å; Q219-D223 PolarHBondContact NE2-OD1 3.46Å; Q219-D223 WeakPolarHBondContact O-CB 3.15Å; Q219-D223 VanDerWaalsContact O-CG 3.29Å; Q219-D223 PolarHBondContact O-N 3.31Å |
| 220 | L | 92.9 | Very high | 95 | Very high | 82 Ų | 82 | 94 Ų | 94 | 43% | 0.429 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60 | -38.5 | 176.8 | -178.2 | 62.9 | 0 | 0 | 0 | 112 | E216 E217 K224 | E216-L220 VanDerWaalsContact O-CB 3.24Å; E216-L220 WeakPolarHBondContact O-CB 3.25Å; E216-L220 PolarHBondContact O-N 2.63Å; E217-L220 PolarHBondContact O-N 3.27Å; L220-K224 WeakPolarHBondContact O-CB 3.38Å; L220-K224 PolarHBondContact O-N 3.3Å |
| 221 | K | 96 | Very high | 95 | Very high | 134 Ų | 134 | 93.6 Ų | 93.6 | 58% | 0.583 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -65.1 | -47.7 | 175.9 | -173.7 | -176.2 | 173.7 | -168.6 | 0 | 111.2 | E217 T218 Q219 D223 K224 E225 | E217-K221 PolarHBondContact O-N 3.01Å; T218-K221 WeakPolarHBondContact O-CB 3.33Å; T218-K221 PolarHBondContact O-N 3.06Å; Q219-K221 VanDerWaalsContact C-N 3.27Å; Q219-K221 PolarHBondContact O-N 2.71Å; K221-D223 PolarHBondContact O-N 3.18Å; K221-K224 PolarHBondContact O-N 3.34Å; K221-E225 WeakPolarHBondContact CE-OE1 3.38Å; K221-E225 WeakPolarHBondContact O-CG 3.37Å; K221-E225 PolarHBondContact O-N 2.89Å |
| 222 | L | 96.7 | Very high | 94.9 | Very high | 86 Ų | 86 | 92.4 Ų | 92.4 | 45% | 0.45 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 177.5 | -69 | 173.2 | 0 | 0 | 0 | 112.1 | T218 Q219 K224 E225 R226 | T218-L222 HydrophobicContact CG2-CD1 4.39Å; T218-L222 WeakPolarHBondContact O-CG 3.35Å; T218-L222 PolarHBondContact O-N 3.41Å; Q219-L222 PolarHBondContact O-N 3.17Å; L222-K224 VanDerWaalsContact C-N 3.35Å; L222-E225 PolarHBondContact O-N 3.02Å; L222-R226 VanDerWaalsContact O-CB 3.28Å; L222-R226 WeakPolarHBondContact O-CB 3.09Å; L222-R226 PolarHBondContact O-N 3.36Å |
| 223 | D | 93.7 | Very high | 94.9 | Very high | 69 Ų | 69 | 95.2 Ų | 95.2 | 37% | 0.369 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64 | -41.2 | 177.2 | -72.8 | -19 | 0 | 0 | 0 | 111.3 | Q219 K221 R226 V227 | Q219-D223 PolarHBondContact NE2-OD1 3.46Å; Q219-D223 WeakPolarHBondContact O-CB 3.15Å; Q219-D223 VanDerWaalsContact O-CG 3.29Å; Q219-D223 PolarHBondContact O-N 3.31Å; K221-D223 PolarHBondContact O-N 3.18Å; D223-R226 PolarHBondContact O-N 3.21Å; D223-V227 VanDerWaalsContact O-CG2 3.28Å; D223-V227 WeakPolarHBondContact O-CG2 3.48Å; D223-V227 PolarHBondContact O-N 3.37Å |
| 224 | K | 95.6 | Very high | 95 | Very high | 132 Ų | 132 | 96.8 Ų | 96.8 | 57% | 0.574 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.4 | -48.9 | 175.3 | -178.2 | 179.2 | 171.3 | -177.4 | 0 | 111.4 | L220 K221 L222 R226 V227 E228 | L220-K224 WeakPolarHBondContact O-CB 3.38Å; L220-K224 PolarHBondContact O-N 3.3Å; K221-K224 PolarHBondContact O-N 3.34Å; L222-K224 VanDerWaalsContact C-N 3.35Å; K224-R226 VanDerWaalsContact C-N 3.28Å; K224-R226 PolarHBondContact O-N 2.97Å; K224-V227 PolarHBondContact O-N 3.05Å; K224-E228 WeakPolarHBondContact CE-OE1 3.33Å; K224-E228 IonicContact NZ-OE1 2.66Å; K224-E228 WeakPolarHBondContact O-CB 3.29Å; K224-E228 WeakPolarHBondContact O-CG 3.11Å; K224-E228 PolarHBondContact O-N 2.96Å |
| 225 | E | 96.3 | Very high | 95 | Very high | 83 Ų | 83 | 96.5 Ų | 96.5 | 39% | 0.388 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.6 | -40.8 | 176.5 | -73.8 | 174.6 | -174.5 | 0 | 0 | 111.4 | K221 L222 E228 N229 | K221-E225 WeakPolarHBondContact CE-OE1 3.38Å; K221-E225 WeakPolarHBondContact O-CG 3.37Å; K221-E225 PolarHBondContact O-N 2.89Å; L222-E225 PolarHBondContact O-N 3.02Å; E225-E228 PolarHBondContact O-N 3.35Å; E225-N229 VanDerWaalsContact O-CB 3.3Å; E225-N229 WeakPolarHBondContact O-CB 3.27Å; E225-N229 PolarHBondContact O-N 3.27Å; E225-N229 PolarHBondContact O-ND2 3.01Å |
| 226 | R | 96.1 | Very high | 95.1 | Very high | 184 Ų | 184 | 92.9 Ų | 92.9 | 69% | 0.694 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62.7 | -46.5 | 175.9 | -177.3 | -177.9 | 177.5 | -169.2 | -0.1 | 112.1 | L222 D223 K224 N229 Q230 | L222-R226 VanDerWaalsContact O-CB 3.28Å; L222-R226 WeakPolarHBondContact O-CB 3.09Å; L222-R226 PolarHBondContact O-N 3.36Å; D223-R226 PolarHBondContact O-N 3.21Å; K224-R226 VanDerWaalsContact C-N 3.28Å; K224-R226 PolarHBondContact O-N 2.97Å; R226-N229 PolarHBondContact O-N 2.97Å; R226-Q230 WeakPolarHBondContact O-CB 3.05Å; R226-Q230 PolarHBondContact O-N 2.88Å |
| 227 | V | 95 | Very high | 95.2 | Very high | 103 Ų | 103 | 94 Ų | 94 | 62% | 0.624 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -63.1 | -43.7 | 177.9 | 169.7 | 0 | 0 | 0 | 0 | 110.6 | D223 K224 Q230 A231 | D223-V227 VanDerWaalsContact O-CG2 3.28Å; D223-V227 WeakPolarHBondContact O-CG2 3.48Å; D223-V227 PolarHBondContact O-N 3.37Å; K224-V227 PolarHBondContact O-N 3.05Å; V227-Q230 PolarHBondContact O-N 3.39Å; V227-A231 WeakPolarHBondContact O-CB 3.39Å; V227-A231 PolarHBondContact O-N 2.93Å |
| 228 | E | 95.5 | Very high | 95.3 | Very high | 91 Ų | 91 | 91.8 Ų | 91.8 | 43% | 0.425 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64 | -42.9 | 177.2 | -73.1 | 176.8 | -176.9 | 0 | 0 | 112.1 | K224 E225 A231 K232 | K224-E228 WeakPolarHBondContact CE-OE1 3.33Å; K224-E228 IonicContact NZ-OE1 2.66Å; K224-E228 WeakPolarHBondContact O-CB 3.29Å; K224-E228 WeakPolarHBondContact O-CG 3.11Å; K224-E228 PolarHBondContact O-N 2.96Å; E225-E228 PolarHBondContact O-N 3.35Å; E228-A231 PolarHBondContact O-N 3.43Å; E228-K232 WeakPolarHBondContact O-CG 3.36Å; E228-K232 PolarHBondContact O-N 3.26Å |
| 229 | N | 94 | Very high | 95.3 | Very high | 85 Ų | 85 | 88 Ų | 88 | 46% | 0.455 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.3 | -40 | 176.3 | -73.1 | -21 | 0 | 0 | 0 | 111.9 | E225 R226 A231 K232 I233 | E225-N229 VanDerWaalsContact O-CB 3.3Å; E225-N229 WeakPolarHBondContact O-CB 3.27Å; E225-N229 PolarHBondContact O-N 3.27Å; E225-N229 PolarHBondContact O-ND2 3.01Å; R226-N229 PolarHBondContact O-N 2.97Å; N229-A231 VanDerWaalsContact C-N 3.34Å; N229-A231 PolarHBondContact O-N 3.49Å; N229-K232 PolarHBondContact O-N 2.73Å; N229-I233 WeakPolarHBondContact O-CG1 3.28Å; N229-I233 PolarHBondContact O-N 2.9Å |
| 230 | Q | 95.3 | Very high | 95.5 | Very high | 106 Ų | 106 | 83.9 Ų | 83.9 | 50% | 0.495 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.9 | -40.8 | 175.5 | -174.2 | 58.7 | 51.8 | 0 | 0 | 111.6 | R226 V227 K232 I233 E234 | R226-Q230 WeakPolarHBondContact O-CB 3.05Å; R226-Q230 PolarHBondContact O-N 2.88Å; V227-Q230 PolarHBondContact O-N 3.39Å; Q230-K232 VanDerWaalsContact C-N 3.34Å; Q230-I233 PolarHBondContact O-N 3.43Å; Q230-E234 PolarHBondContact O-N 2.74Å |
| 231 | A | 95.3 | Very high | 95.6 | Very high | 61 Ų | 61 | 80 Ų | 80 | 50% | 0.504 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.6 | -38.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | V227 E228 N229 E234 L235 | V227-A231 WeakPolarHBondContact O-CB 3.39Å; V227-A231 PolarHBondContact O-N 2.93Å; E228-A231 PolarHBondContact O-N 3.43Å; N229-A231 VanDerWaalsContact C-N 3.34Å; N229-A231 PolarHBondContact O-N 3.49Å; A231-E234 PolarHBondContact O-N 2.88Å; A231-L235 WeakPolarHBondContact O-CB 3.14Å; A231-L235 PolarHBondContact O-N 2.96Å |
| 232 | K | 94 | Very high | 95.4 | Very high | 99 Ų | 99 | 76.2 Ų | 76.2 | 43% | 0.43 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.4 | -46.2 | 173.2 | -74.3 | 172.6 | -176.9 | 173.2 | 0 | 112.3 | E228 N229 Q230 E234 L235 Y236 | E228-K232 WeakPolarHBondContact O-CG 3.36Å; E228-K232 PolarHBondContact O-N 3.26Å; N229-K232 PolarHBondContact O-N 2.73Å; Q230-K232 VanDerWaalsContact C-N 3.34Å; K232-E234 VanDerWaalsContact C-N 3.28Å; K232-E234 PolarHBondContact O-N 3.4Å; K232-L235 WeakPolarHBondContact O-CB 3.24Å; K232-L235 PolarHBondContact O-N 3.49Å; K232-Y236 HydrophobicContact CB-CE2 3.94Å; K232-Y236 WeakPolarHBondContact O-CD2 3.4Å; K232-Y236 PolarHBondContact O-N 3.5Å |
| 233 | I | 93.2 | Very high | 94.9 | Very high | 76 Ų | 76 | 72.7 Ų | 72.7 | 39% | 0.39 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.2 | -44.5 | 177.7 | -69.6 | 165.1 | 0 | 0 | 0 | 110.4 | N229 Q230 Y236 K237 | N229-I233 WeakPolarHBondContact O-CG1 3.28Å; N229-I233 PolarHBondContact O-N 2.9Å; Q230-I233 PolarHBondContact O-N 3.43Å; I233-Y236 PolarHBondContact O-N 2.86Å; I233-K237 HydrophobicContact CG2-CD 4.42Å; I233-K237 WeakPolarHBondContact O-CG 3.36Å; I233-K237 PolarHBondContact O-N 3.39Å |
| 234 | E | 95.6 | Very high | 94.6 | Very high | 81 Ų | 81 | 70 Ų | 70 | 38% | 0.379 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.8 | -43 | 178.1 | -173.3 | 55.6 | -148.9 | 0 | 0 | 111.9 | Q230 A231 K232 Y236 K237 Q238 | Q230-E234 PolarHBondContact O-N 2.74Å; A231-E234 PolarHBondContact O-N 2.88Å; K232-E234 VanDerWaalsContact C-N 3.28Å; K232-E234 PolarHBondContact O-N 3.4Å; E234-Y236 VanDerWaalsContact C-N 3.33Å; E234-Y236 PolarHBondContact O-N 3.36Å; E234-K237 PolarHBondContact O-N 3Å; E234-Q238 WeakPolarHBondContact O-CG 3.28Å; E234-Q238 PolarHBondContact O-N 3.02Å; E234-Q238 PolarHBondContact OE1-NE2 3.3Å |
| 235 | L | 96.4 | Very high | 93.8 | Very high | 61 Ų | 61 | 67 Ų | 67 | 32% | 0.319 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.1 | -45.5 | 173.9 | 175.6 | 64 | 0 | 0 | 0 | 111.7 | A231 K232 K237 Q238 A239 I292 | A231-L235 WeakPolarHBondContact O-CB 3.14Å; A231-L235 PolarHBondContact O-N 2.96Å; K232-L235 WeakPolarHBondContact O-CB 3.24Å; K232-L235 PolarHBondContact O-N 3.49Å; L235-K237 VanDerWaalsContact C-N 3.33Å; L235-K237 PolarHBondContact O-N 2.81Å; L235-Q238 PolarHBondContact O-N 2.71Å; L235-A239 WeakPolarHBondContact O-CB 3.35Å; L235-A239 PolarHBondContact O-N 3.05Å; L235-I292 HydrophobicContact CD2-CD1 4.22Å; L235-I292 HydrophobicContact CG-CD1 4.2Å |
| 236 | Y | 96.2 | Very high | 92.9 | Very high | 42 Ų | 42 | 66.1 Ų | 66.1 | 17% | 0.165 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67 | -35.1 | -179.1 | -56.6 | -28.4 | 0 | 0 | 0 | 112.5 | K232 I233 E234 A239 F240 I241 D242 V245 F288 I292 | K232-Y236 HydrophobicContact CB-CE2 3.94Å; K232-Y236 WeakPolarHBondContact O-CD2 3.4Å; K232-Y236 PolarHBondContact O-N 3.5Å; I233-Y236 PolarHBondContact O-N 2.86Å; E234-Y236 VanDerWaalsContact C-N 3.33Å; E234-Y236 PolarHBondContact O-N 3.36Å; Y236-A239 CarbonylContact O-C 3.42Å; Y236-A239 PolarHBondContact O-N 3.32Å; Y236-F240 PolarHBondContact O-N 3.4Å; Y236-I241 HydrophobicContact CD1-CD1 4.44Å; Y236-I241 PolarHBondContact O-N 3.42Å; Y236-D242 PolarHBondContact O-N 3.43Å; Y236-V245 HydrophobicContact CD2-CB 4.29Å; Y236-V245 HydrophobicContact CD2-CG1 3.86Å; Y236-V245 HydrophobicContact CD2-CG2 3.31Å; Y236-V245 HydrophobicContact CE2-CB 4.5Å; Y236-V245 HydrophobicContact CE2-CG1 3.65Å; Y236-V245 HydrophobicContact CE2-CG2 3.9Å; Y236-V245 HydrophobicContact CG-CG2 3.79Å; Y236-F288 AromaticContact CD1-CE2 3.79Å; Y236-F288 HydrophobicContact CD1-CE2 3.79Å; Y236-F288 AromaticContact CD1-CZ 3.89Å; Y236-F288 HydrophobicContact CD1-CZ 3.89Å; Y236-F288 HydrophobicContact CE1-CE1 4.49Å; Y236-F288 AromaticContact CE1-CE2 3.7Å; Y236-F288 HydrophobicContact CE1-CE2 3.7Å; Y236-F288 AromaticContact CE1-CZ 3.34Å; Y236-F288 HydrophobicContact CE1-CZ 3.34Å; Y236-F288 HydrophobicContact CE2-CE2 4.39Å; Y236-F288 HydrophobicContact CE2-CZ 4.44Å; Y236-F288 HydrophobicContact CG-CE2 4.22Å; Y236-F288 AromaticContact CZ-CE2 4Å; Y236-F288 AromaticContact CZ-CZ 3.65Å; Y236-I292 HydrophobicContact CD1-CD1 3.96Å; Y236-I292 HydrophobicContact CE1-CD1 4.03Å |
| 237 | K | 95.8 | Very high | 91.9 | Very high | 98 Ų | 98 | 66.1 Ų | 66.1 | 43% | 0.426 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.8 | -44.9 | 172 | -72.9 | 176.9 | 178.6 | -176.2 | 0 | 112 | I233 E234 L235 A239 F240 D242 | I233-K237 HydrophobicContact CG2-CD 4.42Å; I233-K237 WeakPolarHBondContact O-CG 3.36Å; I233-K237 PolarHBondContact O-N 3.39Å; E234-K237 PolarHBondContact O-N 3Å; L235-K237 VanDerWaalsContact C-N 3.33Å; L235-K237 PolarHBondContact O-N 2.81Å; K237-A239 PolarHBondContact O-N 2.9Å; K237-F240 PolarHBondContact O-N 3.22Å; K237-D242 HydrophobicContact CG-CB 3.86Å |
| 238 | Q | 96.5 | Very high | 91.5 | Very high | 80 Ų | 80 | 65.8 Ų | 65.8 | 37% | 0.374 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -70.2 | -22.5 | 178 | -65.2 | 175.5 | 6.1 | 0 | 0 | 113.3 | E234 L235 F240 H295 R298 | E234-Q238 WeakPolarHBondContact O-CG 3.28Å; E234-Q238 PolarHBondContact O-N 3.02Å; E234-Q238 PolarHBondContact OE1-NE2 3.3Å; L235-Q238 PolarHBondContact O-N 2.71Å; Q238-F240 VanDerWaalsContact C-N 3.35Å; Q238-H295 VanDerWaalsContact CB-CE1 3.47Å; Q238-H295 WeakPolarHBondContact CB-CE1 3.45Å; Q238-H295 PolarHBondContact O-ND1 2.92Å; Q238-H295 VanDerWaalsContact O-ND1 3.13Å; Q238-R298 PolarHBondContact O-NH2 2.94Å |
| 239 | A | 97.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L235 Y236 K237 I241 I292 H295 | L235-A239 WeakPolarHBondContact O-CB 3.35Å; L235-A239 PolarHBondContact O-N 3.05Å; Y236-A239 CarbonylContact O-C 3.42Å; Y236-A239 PolarHBondContact O-N 3.32Å; K237-A239 PolarHBondContact O-N 2.9Å; A239-I241 HydrophobicContact CB-CD1 3.88Å; A239-I241 HydrophobicContact CB-CG1 3.78Å; A239-I241 PolarHBondContact O-N 2.98Å; A239-I292 HydrophobicContact CB-CD1 4.27Å; A239-H295 HydrophobicContact CB-CB 3.79Å |
| 240 | F | 97.3 | Very high | 91.4 | Very high | 8 Ų | 8 | 57.9 Ų | 57.9 | 4% | 0.035 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 16.9 | -178.6 | -40.1 | -53.5 | 0 | 0 | 0 | 115.3 | Y236 K237 Q238 I391 F394 I472 K475 A476 W479 | Y236-F240 PolarHBondContact O-N 3.4Å; K237-F240 PolarHBondContact O-N 3.22Å; Q238-F240 VanDerWaalsContact C-N 3.35Å; F240-I391 HydrophobicContact CE2-CD1 4.12Å; F240-F394 AromaticContact CD2-CE1 3.92Å; F240-F394 HydrophobicContact CD2-CE1 3.92Å; F240-I472 HydrophobicContact CB-CG2 4.35Å; F240-I472 WeakPolarHBondContact O-CG1 3.41Å; F240-K475 HydrophobicContact CB-CB 4.16Å; F240-K475 HydrophobicContact CD1-CB 3.94Å; F240-K475 HydrophobicContact CG-CB 4.28Å; F240-A476 HydrophobicContact CD2-CB 3.71Å; F240-A476 HydrophobicContact CE2-CB 3.85Å; F240-A476 HydrophobicContact CG-CB 4.29Å; F240-W479 HydrophobicContact CE1-CB 3.58Å; F240-W479 HydrophobicContact CE1-CD2 4.18Å; F240-W479 AromaticContact CE1-CG 3.68Å; F240-W479 HydrophobicContact CE1-CG 3.68Å; F240-W479 HydrophobicContact CE2-CE3 4.39Å; F240-W479 HydrophobicContact CZ-CB 3.69Å; F240-W479 AromaticContact CZ-CD2 3.58Å; F240-W479 HydrophobicContact CZ-CD2 3.58Å; F240-W479 AromaticContact CZ-CE3 3.68Å; F240-W479 HydrophobicContact CZ-CE3 3.68Å; F240-W479 AromaticContact CZ-CG 3.57Å; F240-W479 HydrophobicContact CZ-CG 3.57Å |
| 241 | I | 95.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | -118.1 | 15.4 | -171.4 | 59.5 | 178.4 | 0 | 0 | 0 | 113.1 | Y236 A239 G243 M244 F288 I292 | Y236-I241 HydrophobicContact CD1-CD1 4.44Å; Y236-I241 PolarHBondContact O-N 3.42Å; A239-I241 HydrophobicContact CB-CD1 3.88Å; A239-I241 HydrophobicContact CB-CG1 3.78Å; A239-I241 PolarHBondContact O-N 2.98Å; I241-G243 PolarHBondContact O-N 3.48Å; I241-M244 HydrophobicContact CB-CB 4.33Å; I241-M244 HydrophobicContact CB-CG 4.37Å; I241-M244 WeakPolarHBondContact O-CB 3.4Å; I241-M244 PolarHBondContact O-N 3.43Å; I241-F288 HydrophobicContact CB-CD2 4.37Å; I241-F288 HydrophobicContact CD1-CD2 3.51Å; I241-F288 HydrophobicContact CD1-CE2 3.69Å; I241-F288 HydrophobicContact CD1-CG 3.95Å; I241-F288 HydrophobicContact CD1-CZ 4.31Å; I241-F288 VanDerWaalsContact CD1-O 3.25Å; I241-F288 WeakPolarHBondContact CD1-O 3.23Å; I241-F288 HydrophobicContact CG1-CD2 4.08Å; I241-F288 HydrophobicContact CG1-CE2 4.26Å; I241-I292 HydrophobicContact CD1-CD1 3.72Å; I241-I292 HydrophobicContact CD1-CG1 3.74Å | ||
| 242 | D | 92 | Very high | 91.3 | Very high | 55 Ų | 55 | 57 Ų | 57 | 29% | 0.294 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -59.2 | -26.5 | 178.7 | 59.2 | -48 | 0 | 0 | 0 | 113.2 | Y236 K237 M244 V245 K475 | Y236-D242 PolarHBondContact O-N 3.43Å; K237-D242 HydrophobicContact CG-CB 3.86Å; D242-M244 VanDerWaalsContact C-N 3.29Å; D242-M244 PolarHBondContact O-N 3.24Å; D242-V245 WeakPolarHBondContact O-CG2 3.48Å; D242-K475 IonicContact OD1-NZ 2.7Å; D242-K475 PolarHBondContact OD1-NZ 3.32Å; D242-K475 IonicContact OD2-NZ 3.81Å; D242-K475 PolarHBondContact OD2-NZ 3.17Å |
| 243 | G | 87 | Confident | 91.4 | Very high | 13 Ų | 13 | 52.3 Ų | 52.3 | 13% | 0.134 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -70.2 | -20 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | I241 K252 | I241-G243 PolarHBondContact O-N 3.48Å; G243-K252 PolarHBondContact O-NZ 3.01Å |
| 244 | M | 87.4 | Confident | 91.5 | Very high | 13 Ų | 13 | 49 Ų | 49 | 6% | 0.064 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -94.1 | -0.4 | -173.8 | -59.3 | -63.6 | 130.9 | 0 | 0 | 114.3 | I241 D242 D246 I249 V287 F288 F402 F468 I472 | I241-M244 HydrophobicContact CB-CB 4.33Å; I241-M244 HydrophobicContact CB-CG 4.37Å; I241-M244 WeakPolarHBondContact O-CB 3.4Å; I241-M244 PolarHBondContact O-N 3.43Å; D242-M244 VanDerWaalsContact C-N 3.29Å; D242-M244 PolarHBondContact O-N 3.24Å; M244-D246 VanDerWaalsContact C-N 3.26Å; M244-D246 PolarHBondContact O-N 2.91Å; M244-I249 HydrophobicContact CE-CD1 4.41Å; M244-I249 HydrophobicContact SD-CD1 3.54Å; M244-I249 VanDerWaalsContact SD-CD1 3.54Å; M244-V287 HydrophobicContact CG-CG1 4.33Å; M244-F288 HydrophobicContact CB-CB 4.44Å; M244-F288 HydrophobicContact CB-CD2 4.4Å; M244-F402 HydrophobicContact CE-CZ 3.95Å; M244-F402 HydrophobicContact SD-CZ 4.23Å; M244-F468 HydrophobicContact CE-CB 3.63Å; M244-F468 HydrophobicContact CE-CD1 4.1Å; M244-F468 HydrophobicContact CE-CG 3.87Å; M244-I472 HydrophobicContact CE-CD1 4Å; M244-I472 HydrophobicContact CG-CD1 4.25Å |
| 245 | V | 78.9 | Confident | 91.4 | Very high | 68 Ų | 68 | 49 Ų | 49 | 41% | 0.412 | 25% | 0.247 | S | C | . | . | trans | -80.4 | -4.6 | -171.5 | -170.7 | 0 | 0 | 0 | 0 | 112.9 | Y236 D242 F288 | Y236-V245 HydrophobicContact CD2-CB 4.29Å; Y236-V245 HydrophobicContact CD2-CG1 3.86Å; Y236-V245 HydrophobicContact CD2-CG2 3.31Å; Y236-V245 HydrophobicContact CE2-CB 4.5Å; Y236-V245 HydrophobicContact CE2-CG1 3.65Å; Y236-V245 HydrophobicContact CE2-CG2 3.9Å; Y236-V245 HydrophobicContact CG-CG2 3.79Å; D242-V245 WeakPolarHBondContact O-CG2 3.48Å; V245-F288 HydrophobicContact CG2-CE2 4.03Å | ||
| 246 | D | 75.9 | Confident | 91.3 | Very high | 64 Ų | 64 | 51.6 Ų | 51.6 | 34% | 0.342 | 26% | 0.262 | S | S | . | . | trans | -81.4 | 121.7 | -170.4 | -161.2 | -23.9 | 0 | 0 | 0 | 112.1 | M244 N248 I249 K252 | M244-D246 VanDerWaalsContact C-N 3.26Å; M244-D246 PolarHBondContact O-N 2.91Å; D246-N248 PolarHBondContact O-N 3.05Å; D246-N248 VanDerWaalsContact O-N 3.09Å; D246-N248 WeakPolarHBondContact OD1-CA 3.11Å; D246-N248 WeakPolarHBondContact OD1-CB 3.37Å; D246-N248 PolarHBondContact OD1-N 3.22Å; D246-I249 HydrophobicContact CB-CB 4.49Å; D246-I249 WeakPolarHBondContact O-CB 3.42Å; D246-I249 PolarHBondContact O-N 3.13Å; D246-K252 WeakPolarHBondContact OD2-CE 3.4Å; D246-K252 IonicContact OD2-NZ 2.66Å | ||
| 247 | E | 77 | Confident | 91.3 | Very high | 185 Ų | 185 | 49.8 Ų | 49.8 | 86% | 0.864 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -24.4 | 170.8 | -67.1 | -177.6 | 173.8 | 0 | 0 | 111.9 | ||
| 248 | N | 86.1 | Confident | 91.3 | Very high | 96 Ų | 96 | 48.5 Ų | 48.5 | 51% | 0.513 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 30.2 | 177.9 | -58.5 | -64.3 | 0 | 0 | 0 | 112.8 | D246 F250 Q251 K252 | D246-N248 PolarHBondContact O-N 3.05Å; D246-N248 VanDerWaalsContact O-N 3.09Å; D246-N248 WeakPolarHBondContact OD1-CA 3.11Å; D246-N248 WeakPolarHBondContact OD1-CB 3.37Å; D246-N248 PolarHBondContact OD1-N 3.22Å; N248-F250 PolarHBondContact O-N 3.26Å; N248-F250 VanDerWaalsContact O-N 3.09Å; N248-Q251 HydrophobicContact CB-CB 4.11Å; N248-Q251 HydrophobicContact CB-CG 3.97Å; N248-Q251 WeakPolarHBondContact O-CA 3.23Å; N248-Q251 WeakPolarHBondContact O-CB 3.36Å; N248-Q251 PolarHBondContact O-N 3.29Å; N248-K252 PolarHBondContact O-N 2.98Å |
| 249 | I | 92.4 | Very high | 91.3 | Very high | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.015 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -52.9 | -34.6 | 178.2 | -168 | 159.2 | 0 | 0 | 0 | 112.8 | M244 D246 Q251 K252 F280 T281 C284 F468 | M244-I249 HydrophobicContact CE-CD1 4.41Å; M244-I249 HydrophobicContact SD-CD1 3.54Å; M244-I249 VanDerWaalsContact SD-CD1 3.54Å; D246-I249 HydrophobicContact CB-CB 4.49Å; D246-I249 WeakPolarHBondContact O-CB 3.42Å; D246-I249 PolarHBondContact O-N 3.13Å; I249-Q251 VanDerWaalsContact C-N 3.32Å; I249-Q251 PolarHBondContact O-N 3.21Å; I249-K252 VanDerWaalsContact O-CB 3.32Å; I249-K252 WeakPolarHBondContact O-CB 3.27Å; I249-K252 PolarHBondContact O-N 3.28Å; I249-K252 VanDerWaalsContact O-N 3.14Å; I249-F280 HydrophobicContact CG1-CE1 4.3Å; I249-F280 HydrophobicContact CG2-CE1 4.35Å; I249-T281 HydrophobicContact CG2-CG2 4.33Å; I249-C284 HydrophobicContact CD1-CB 3.78Å; I249-C284 HydrophobicContact CG2-CB 4.13Å; I249-F468 HydrophobicContact CG1-CE2 4.4Å |
| 250 | F | 94.8 | Very high | 91.2 | Very high | 7 Ų | 7 | 47.1 Ų | 47.1 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.8 | -40.6 | 173 | 178.8 | -109.3 | 0 | 0 | 0 | 112.9 | N248 K252 L253 F254 I273 F276 S277 F280 | N248-F250 PolarHBondContact O-N 3.26Å; N248-F250 VanDerWaalsContact O-N 3.09Å; F250-K252 PolarHBondContact O-N 2.93Å; F250-L253 HydrophobicContact CD2-CD1 4.11Å; F250-L253 HydrophobicContact CE2-CD1 4.28Å; F250-L253 WeakPolarHBondContact O-CB 3.49Å; F250-L253 PolarHBondContact O-N 2.99Å; F250-F254 HydrophobicContact CD1-CE2 4.21Å; F250-F254 AromaticContact CE1-CE2 3.63Å; F250-F254 HydrophobicContact CE1-CE2 3.63Å; F250-F254 HydrophobicContact CE1-CZ 4.24Å; F250-F254 HydrophobicContact CE2-CE2 4.09Å; F250-F254 AromaticContact CZ-CE2 3.57Å; F250-F254 HydrophobicContact CZ-CE2 3.57Å; F250-F254 AromaticContact CZ-CZ 3.92Å; F250-F254 HydrophobicContact CZ-CZ 3.92Å; F250-I273 HydrophobicContact CE1-CG2 4.09Å; F250-I273 HydrophobicContact CZ-CG2 4.11Å; F250-F276 AromaticContact CE2-CD1 3.47Å; F250-F276 HydrophobicContact CE2-CD1 3.47Å; F250-F276 VanDerWaalsContact CE2-CD1 3.47Å; F250-F276 AromaticContact CE2-CE1 3.66Å; F250-F276 HydrophobicContact CE2-CE1 3.66Å; F250-F276 HydrophobicContact CE2-CG 4.21Å; F250-F276 HydrophobicContact CZ-CD1 4.07Å; F250-S277 WeakPolarHBondContact CD1-OG 3.42Å; F250-S277 WeakPolarHBondContact CG-OG 3.49Å; F250-F280 HydrophobicContact CB-CD1 4.31Å; F250-F280 HydrophobicContact CD2-CB 4.49Å; F250-F280 HydrophobicContact CD2-CD1 4.03Å; F250-F280 HydrophobicContact CD2-CG 4.5Å |
| 251 | Q | 94.1 | Very high | 91.1 | Very high | 95 Ų | 95 | 52.7 Ų | 52.7 | 44% | 0.444 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.3 | -23.9 | 179 | -61.5 | -61 | -34.7 | 0 | 0 | 112.3 | N248 I249 L253 F254 | N248-Q251 HydrophobicContact CB-CB 4.11Å; N248-Q251 HydrophobicContact CB-CG 3.97Å; N248-Q251 WeakPolarHBondContact O-CA 3.23Å; N248-Q251 WeakPolarHBondContact O-CB 3.36Å; N248-Q251 PolarHBondContact O-N 3.29Å; I249-Q251 VanDerWaalsContact C-N 3.32Å; I249-Q251 PolarHBondContact O-N 3.21Å; Q251-L253 PolarHBondContact O-N 2.8Å; Q251-F254 PolarHBondContact O-N 2.77Å |
| 252 | K | 94.4 | Very high | 91.1 | Very high | 52 Ų | 52 | 55.2 Ų | 55.2 | 23% | 0.226 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.1 | -27.1 | 177.1 | -63.8 | -173.2 | -179.6 | 178.8 | 0 | 112.7 | G243 D246 N248 I249 F250 F254 T255 F468 | G243-K252 PolarHBondContact O-NZ 3.01Å; D246-K252 WeakPolarHBondContact OD2-CE 3.4Å; D246-K252 IonicContact OD2-NZ 2.66Å; N248-K252 PolarHBondContact O-N 2.98Å; I249-K252 VanDerWaalsContact O-CB 3.32Å; I249-K252 WeakPolarHBondContact O-CB 3.27Å; I249-K252 PolarHBondContact O-N 3.28Å; I249-K252 VanDerWaalsContact O-N 3.14Å; F250-K252 PolarHBondContact O-N 2.93Å; K252-F254 PolarHBondContact O-N 2.81Å; K252-T255 WeakPolarHBondContact O-CB 3.28Å; K252-T255 PolarHBondContact O-N 2.93Å; K252-T255 PolarHBondContact O-OG1 2.76Å; K252-F468 HydrophobicContact CB-CZ 3.76Å; K252-F468 HydrophobicContact CD-CE1 4.18Å; K252-F468 HydrophobicContact CD-CZ 3.95Å |
| 253 | L | 96.2 | Very high | 91.2 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -30.8 | 174 | -63.5 | -179.3 | 0 | 0 | 0 | 111.6 | F250 Q251 F276 F280 H461 K464 I465 F468 | F250-L253 HydrophobicContact CD2-CD1 4.11Å; F250-L253 HydrophobicContact CE2-CD1 4.28Å; F250-L253 WeakPolarHBondContact O-CB 3.49Å; F250-L253 PolarHBondContact O-N 2.99Å; Q251-L253 PolarHBondContact O-N 2.8Å; L253-F276 HydrophobicContact CD1-CE1 3.85Å; L253-F276 HydrophobicContact CD1-CZ 3.86Å; L253-F280 HydrophobicContact CD1-CD1 4.18Å; L253-F280 HydrophobicContact CD1-CD2 4.34Å; L253-F280 HydrophobicContact CD1-CE1 3.98Å; L253-F280 HydrophobicContact CD1-CE2 4.17Å; L253-F280 HydrophobicContact CD1-CG 4.35Å; L253-F280 HydrophobicContact CD1-CZ 3.98Å; L253-F280 HydrophobicContact CD2-CE1 4.41Å; L253-F280 HydrophobicContact CD2-CE2 4.29Å; L253-F280 HydrophobicContact CD2-CZ 3.85Å; L253-F280 HydrophobicContact CG-CE1 4.14Å; L253-F280 HydrophobicContact CG-CZ 4.07Å; L253-H461 PolarHBondContact O-CD2 3.45Å; L253-K464 HydrophobicContact CD2-CB 4.09Å; L253-K464 HydrophobicContact CD2-CG 4.16Å; L253-I465 HydrophobicContact CD2-CD1 4.34Å; L253-I465 HydrophobicContact CD2-CG1 3.69Å; L253-F468 HydrophobicContact CD2-CE2 4.27Å |
| 254 | F | 96.2 | Very high | 91.6 | Very high | 5 Ų | 5 | 53.8 Ų | 53.8 | 2% | 0.022 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 5.3 | -174.6 | -61.8 | -89 | 0 | 0 | 0 | 114.3 | F250 Q251 K252 D256 D257 R261 L264 H461 | F250-F254 HydrophobicContact CD1-CE2 4.21Å; F250-F254 AromaticContact CE1-CE2 3.63Å; F250-F254 HydrophobicContact CE1-CE2 3.63Å; F250-F254 HydrophobicContact CE1-CZ 4.24Å; F250-F254 HydrophobicContact CE2-CE2 4.09Å; F250-F254 AromaticContact CZ-CE2 3.57Å; F250-F254 HydrophobicContact CZ-CE2 3.57Å; F250-F254 AromaticContact CZ-CZ 3.92Å; F250-F254 HydrophobicContact CZ-CZ 3.92Å; Q251-F254 PolarHBondContact O-N 2.77Å; K252-F254 PolarHBondContact O-N 2.81Å; F254-D256 PolarHBondContact O-N 3.4Å; F254-D257 PolarHBondContact O-N 2.75Å; F254-R261 HydrophobicContact CB-CG 3.88Å; F254-R261 HydrophobicContact CD1-CG 4.45Å; F254-R261 PolarHBondContact O-NE 3.21Å; F254-L264 HydrophobicContact CD1-CD1 3.9Å; F254-L264 HydrophobicContact CD1-CG 4.2Å; F254-L264 HydrophobicContact CD2-CD1 4.23Å; F254-L264 HydrophobicContact CE1-CD1 3.95Å; F254-L264 HydrophobicContact CE1-CD2 3.87Å; F254-L264 HydrophobicContact CE1-CG 3.81Å; F254-L264 HydrophobicContact CE2-CD1 4.3Å; F254-L264 HydrophobicContact CE2-CD2 4.26Å; F254-L264 HydrophobicContact CG-CD1 4.04Å; F254-L264 HydrophobicContact CZ-CD1 4.16Å; F254-L264 HydrophobicContact CZ-CD2 3.65Å; F254-L264 HydrophobicContact CZ-CG 4.09Å; F254-H461 AromaticContact CD1-CE1 3.98Å; F254-H461 AromaticContact CD1-NE2 3.5Å; F254-H461 WeakPolarHBondContact CD1-NE2 3.39Å; F254-H461 AromaticContact CE1-CE1 3.42Å; F254-H461 VanDerWaalsContact CE1-CE1 3.42Å; F254-H461 WeakPolarHBondContact CE1-CE1 2.9Å; F254-H461 AromaticContact CE1-NE2 3.44Å; F254-H461 WeakPolarHBondContact CE1-NE2 3.49Å; F254-H461 AromaticContact CG-NE2 3.95Å; F254-H461 AromaticContact CZ-CE1 3.48Å; F254-H461 VanDerWaalsContact CZ-CE1 3.48Å; F254-H461 WeakPolarHBondContact CZ-CE1 3.48Å; F254-H461 AromaticContact CZ-NE2 3.81Å |
| 255 | T | 92.4 | Very high | 91.8 | Very high | 81 Ų | 81 | 57.2 Ų | 57.2 | 50% | 0.497 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -47 | -175.9 | -53.3 | 0 | 0 | 0 | 0 | 111.4 | K252 | K252-T255 WeakPolarHBondContact O-CB 3.28Å; K252-T255 PolarHBondContact O-N 2.93Å; K252-T255 PolarHBondContact O-OG1 2.76Å |
| 256 | D | 94.2 | Very high | 92.5 | Very high | 117 Ų | 117 | 54.1 Ų | 54.1 | 63% | 0.626 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | 21.2 | -178.5 | -60.5 | -56.9 | 0 | 0 | 0 | 112.2 | F254 P258 | F254-D256 PolarHBondContact O-N 3.4Å; D256-P258 WeakPolarHBondContact O-CD 3.49Å |
| 257 | D | 96.9 | Very high | 93.3 | Very high | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | trans | -118.5 | 90.1 | 179.4 | -176.4 | 9.1 | 0 | 0 | 0 | 110.7 | F254 D259 G260 R261 S457 A460 H461 | F254-D257 PolarHBondContact O-N 2.75Å; D257-D259 PolarHBondContact OD1-N 3.27Å; D257-G260 VanDerWaalsContact CG-N 3.3Å; D257-G260 PolarHBondContact OD1-N 2.81Å; D257-G260 WeakPolarHBondContact OD2-CA 3.44Å; D257-G260 PolarHBondContact OD2-N 2.69Å; D257-R261 WeakPolarHBondContact O-CG 3.44Å; D257-R261 PolarHBondContact O-N 3.41Å; D257-R261 PolarHBondContact O-NE 3.06Å; D257-S457 WeakPolarHBondContact OD2-CA 3.47Å; D257-S457 WeakPolarHBondContact OD2-CB 3.23Å; D257-S457 PolarHBondContact OD2-OG 2.97Å; D257-A460 HydrophobicContact CB-CB 4.13Å; D257-H461 IonicContact OD2-CD2 2.68Å; D257-H461 IonicContact OD2-CE1 3.6Å; D257-H461 IonicContact OD2-NE2 2.96Å; D257-H461 PolarHBondContact OD2-NE2 3.44Å | ||
| 258 | P | 95.6 | Very high | 94 | Very high | 72 Ų | 72 | 47.9 Ų | 47.9 | 47% | 0.468 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.3 | -38.1 | 175.6 | 27.6 | -32.4 | 0 | 0 | 0 | 112.4 | D256 R261 E262 | D256-P258 WeakPolarHBondContact O-CD 3.49Å; P258-R261 PolarHBondContact O-N 3.22Å; P258-E262 PolarHBondContact O-N 3.21Å |
| 259 | D | 95.6 | Very high | 94.5 | Very high | 51 Ų | 51 | 43.3 Ų | 43.3 | 27% | 0.273 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -72.2 | -45 | -174.6 | -67.5 | -35.6 | 0 | 0 | 0 | 111 | D257 R261 E262 L263 I443 A453 | D257-D259 PolarHBondContact OD1-N 3.27Å; D259-R261 VanDerWaalsContact C-N 3.26Å; D259-R261 PolarHBondContact O-N 3.17Å; D259-E262 WeakPolarHBondContact O-CB 3.25Å; D259-E262 PolarHBondContact O-N 3.06Å; D259-E262 VanDerWaalsContact O-N 3.09Å; D259-L263 WeakPolarHBondContact O-CG 3.44Å; D259-L263 PolarHBondContact O-N 2.67Å; D259-I443 HydrophobicContact CB-CD1 4.11Å; D259-A453 HydrophobicContact CB-CB 4.01Å |
| 260 | G | 95.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.6 | -31.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | D257 E262 L263 L264 | D257-G260 VanDerWaalsContact CG-N 3.3Å; D257-G260 PolarHBondContact OD1-N 2.81Å; D257-G260 WeakPolarHBondContact OD2-CA 3.44Å; D257-G260 PolarHBondContact OD2-N 2.69Å; G260-E262 VanDerWaalsContact C-N 3.32Å; G260-E262 PolarHBondContact O-N 3.24Å; G260-L263 CarbonylContact O-C 3.5Å; G260-L263 WeakPolarHBondContact O-CB 3.49Å; G260-L263 PolarHBondContact O-N 2.79Å; G260-L263 VanDerWaalsContact O-N 3.11Å; G260-L264 WeakPolarHBondContact O-CG 3.4Å; G260-L264 PolarHBondContact O-N 2.8Å |
| 261 | R | 96.5 | Very high | 94.7 | Very high | 125 Ų | 125 | 54.6 Ų | 54.6 | 47% | 0.472 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.9 | -38.3 | 172.7 | -77.8 | -178.7 | -74.6 | 169.2 | -8 | 112.5 | F254 D257 P258 D259 L263 L264 | F254-R261 HydrophobicContact CB-CG 3.88Å; F254-R261 HydrophobicContact CD1-CG 4.45Å; F254-R261 PolarHBondContact O-NE 3.21Å; D257-R261 WeakPolarHBondContact O-CG 3.44Å; D257-R261 PolarHBondContact O-N 3.41Å; D257-R261 PolarHBondContact O-NE 3.06Å; P258-R261 PolarHBondContact O-N 3.22Å; D259-R261 VanDerWaalsContact C-N 3.26Å; D259-R261 PolarHBondContact O-N 3.17Å; R261-L263 VanDerWaalsContact C-N 3.33Å; R261-L264 WeakPolarHBondContact O-CB 3.27Å; R261-L264 PolarHBondContact O-N 2.84Å |
| 262 | E | 94.9 | Very high | 94.8 | Very high | 53 Ų | 53 | 50.7 Ų | 50.7 | 25% | 0.248 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -70.3 | -33.2 | 173.3 | -61.2 | -61.4 | 146.9 | 0 | 0 | 111 | P258 D259 G260 L264 V265 S437 A439 L440 I443 | P258-E262 PolarHBondContact O-N 3.21Å; D259-E262 WeakPolarHBondContact O-CB 3.25Å; D259-E262 PolarHBondContact O-N 3.06Å; D259-E262 VanDerWaalsContact O-N 3.09Å; G260-E262 VanDerWaalsContact C-N 3.32Å; G260-E262 PolarHBondContact O-N 3.24Å; E262-L264 VanDerWaalsContact C-N 3.3Å; E262-L264 PolarHBondContact O-N 2.99Å; E262-V265 WeakPolarHBondContact O-CG2 3.14Å; E262-V265 PolarHBondContact O-N 2.83Å; E262-S437 PolarHBondContact OE2-OG 2.72Å; E262-A439 HydrophobicContact CG-CB 3.84Å; E262-L440 HydrophobicContact CB-CB 4.37Å; E262-L440 HydrophobicContact CB-CD1 4.17Å; E262-I443 HydrophobicContact CB-CD1 3.71Å; E262-I443 HydrophobicContact CG-CD1 4.31Å |
| 263 | L | 94.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.3 | -27.3 | 175 | -63.8 | 174.8 | 0 | 0 | 0 | 113 | D259 G260 R261 V265 V266 L269 L416 I443 F444 L454 | D259-L263 WeakPolarHBondContact O-CG 3.44Å; D259-L263 PolarHBondContact O-N 2.67Å; G260-L263 CarbonylContact O-C 3.5Å; G260-L263 WeakPolarHBondContact O-CB 3.49Å; G260-L263 PolarHBondContact O-N 2.79Å; G260-L263 VanDerWaalsContact O-N 3.11Å; R261-L263 VanDerWaalsContact C-N 3.33Å; L263-V265 PolarHBondContact O-N 3.4Å; L263-V266 PolarHBondContact O-N 3.1Å; L263-L269 HydrophobicContact CB-CD1 4.12Å; L263-L269 HydrophobicContact CD2-CD1 4.15Å; L263-L416 HydrophobicContact CD1-CD1 4.39Å; L263-I443 HydrophobicContact CD2-CG2 4.33Å; L263-F444 HydrophobicContact CD2-CE2 3.98Å; L263-F444 HydrophobicContact CD2-CZ 4.09Å; L263-L454 HydrophobicContact CD1-CD2 3.64Å |
| 264 | L | 94.1 | Very high | 94.9 | Very high | 36 Ų | 36 | 54.4 Ų | 54.4 | 19% | 0.188 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -22.7 | 177.8 | -73.1 | 178.6 | 0 | 0 | 0 | 113.7 | F254 G260 R261 E262 Y270 I273 | F254-L264 HydrophobicContact CD1-CD1 3.9Å; F254-L264 HydrophobicContact CD1-CG 4.2Å; F254-L264 HydrophobicContact CD2-CD1 4.23Å; F254-L264 HydrophobicContact CE1-CD1 3.95Å; F254-L264 HydrophobicContact CE1-CD2 3.87Å; F254-L264 HydrophobicContact CE1-CG 3.81Å; F254-L264 HydrophobicContact CE2-CD1 4.3Å; F254-L264 HydrophobicContact CE2-CD2 4.26Å; F254-L264 HydrophobicContact CG-CD1 4.04Å; F254-L264 HydrophobicContact CZ-CD1 4.16Å; F254-L264 HydrophobicContact CZ-CD2 3.65Å; F254-L264 HydrophobicContact CZ-CG 4.09Å; G260-L264 WeakPolarHBondContact O-CG 3.4Å; G260-L264 PolarHBondContact O-N 2.8Å; R261-L264 WeakPolarHBondContact O-CB 3.27Å; R261-L264 PolarHBondContact O-N 2.84Å; E262-L264 VanDerWaalsContact C-N 3.3Å; E262-L264 PolarHBondContact O-N 2.99Å; L264-Y270 VanDerWaalsContact O-CE1 3.31Å; L264-Y270 WeakPolarHBondContact O-CE1 3.43Å; L264-I273 HydrophobicContact CD2-CD1 3.86Å; L264-I273 HydrophobicContact CD2-CG1 4.11Å; L264-I273 HydrophobicContact CD2-CG2 3.63Å |
| 265 | V | 92.3 | Very high | 95 | Very high | 85 Ų | 85 | 57.6 Ų | 57.6 | 52% | 0.515 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 1.7 | -179.3 | -58.4 | 0 | 0 | 0 | 0 | 113.7 | E262 L263 P267 Y270 L440 | E262-V265 WeakPolarHBondContact O-CG2 3.14Å; E262-V265 PolarHBondContact O-N 2.83Å; L263-V265 PolarHBondContact O-N 3.4Å; V265-P267 WeakPolarHBondContact O-CD 3.32Å; V265-Y270 PolarHBondContact O-OH 3.46Å; V265-L440 HydrophobicContact CG2-CD2 4.19Å |
| 266 | V | 93.1 | Very high | 95.2 | Very high | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.018 | 27% | 0.271 | C | S | . | . | trans | -86.1 | 113.7 | -178.7 | -177.3 | 0 | 0 | 0 | 0 | 110.3 | L263 E268 L269 Y270 I423 L440 F444 | L263-V266 PolarHBondContact O-N 3.1Å; V266-E268 VanDerWaalsContact C-N 3.28Å; V266-E268 HydrophobicContact CG1-CB 4.46Å; V266-E268 WeakPolarHBondContact CG1-OE2 3.43Å; V266-E268 PolarHBondContact O-N 2.91Å; V266-L269 HydrophobicContact CB-CB 4.42Å; V266-L269 HydrophobicContact CB-CD1 3.94Å; V266-L269 HydrophobicContact CB-CG 4Å; V266-L269 HydrophobicContact CG1-CD1 4.24Å; V266-L269 HydrophobicContact CG1-CG 3.98Å; V266-L269 HydrophobicContact CG2-CD1 4.43Å; V266-L269 WeakPolarHBondContact O-CB 3.1Å; V266-L269 PolarHBondContact O-N 3.49Å; V266-Y270 VanDerWaalsContact O-CD1 3.25Å; V266-Y270 WeakPolarHBondContact O-CD1 3.48Å; V266-Y270 WeakPolarHBondContact O-CE1 3.4Å; V266-I423 HydrophobicContact CG1-CD1 3.98Å; V266-I423 HydrophobicContact CG1-CG2 4.15Å; V266-L440 HydrophobicContact CG2-CD1 3.85Å; V266-L440 HydrophobicContact CG2-CD2 4.28Å; V266-F444 HydrophobicContact CG2-CE2 4.35Å | ||
| 267 | P | 92.3 | Very high | 95.3 | Very high | 54 Ų | 54 | 49.8 Ų | 49.8 | 35% | 0.351 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -58.1 | -35.3 | -172.7 | -26.8 | 36 | 0 | 0 | 0 | 115 | V265 L269 Y270 | V265-P267 WeakPolarHBondContact O-CD 3.32Å; P267-L269 PolarHBondContact O-N 3.04Å; P267-Y270 HydrophobicContact CB-CD2 4.37Å; P267-Y270 HydrophobicContact CB-CE2 4.06Å; P267-Y270 HydrophobicContact CG-CE2 4.42Å; P267-Y270 WeakPolarHBondContact O-CB 3.41Å; P267-Y270 PolarHBondContact O-N 2.83Å |
| 268 | E | 92.7 | Very high | 95.3 | Very high | 64 Ų | 64 | 55.4 Ų | 55.4 | 30% | 0.299 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -64.5 | -20.8 | 178.5 | -66.6 | 90.1 | 157.9 | 0 | 0 | 113.1 | V266 I423 R426 | V266-E268 VanDerWaalsContact C-N 3.28Å; V266-E268 HydrophobicContact CG1-CB 4.46Å; V266-E268 WeakPolarHBondContact CG1-OE2 3.43Å; V266-E268 PolarHBondContact O-N 2.91Å; E268-I423 HydrophobicContact CB-CD1 3.79Å; E268-I423 HydrophobicContact CB-CG1 4Å; E268-I423 HydrophobicContact CG-CG1 4.25Å; E268-R426 IonicContact OE1-CZ 3.33Å; E268-R426 IonicContact OE1-NH1 3.61Å; E268-R426 PolarHBondContact OE1-NH1 3.19Å |
| 269 | L | 95.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -94.2 | -11.4 | -178.8 | -57.1 | -175.1 | 0 | 0 | 0 | 113 | L263 V266 P267 N271 S272 I273 L416 L419 I423 | L263-L269 HydrophobicContact CB-CD1 4.12Å; L263-L269 HydrophobicContact CD2-CD1 4.15Å; V266-L269 HydrophobicContact CB-CB 4.42Å; V266-L269 HydrophobicContact CB-CD1 3.94Å; V266-L269 HydrophobicContact CB-CG 4Å; V266-L269 HydrophobicContact CG1-CD1 4.24Å; V266-L269 HydrophobicContact CG1-CG 3.98Å; V266-L269 HydrophobicContact CG2-CD1 4.43Å; V266-L269 WeakPolarHBondContact O-CB 3.1Å; V266-L269 PolarHBondContact O-N 3.49Å; P267-L269 PolarHBondContact O-N 3.04Å; L269-N271 PolarHBondContact O-N 3.32Å; L269-S272 WeakPolarHBondContact O-CB 3.32Å; L269-S272 PolarHBondContact O-N 3.22Å; L269-I273 HydrophobicContact CB-CD1 3.82Å; L269-I273 HydrophobicContact CB-CG1 4.42Å; L269-I273 WeakPolarHBondContact O-CG1 3.25Å; L269-I273 PolarHBondContact O-N 3.35Å; L269-L416 HydrophobicContact CB-CD2 4.28Å; L269-L416 HydrophobicContact CD1-CD2 4.01Å; L269-L416 HydrophobicContact CD2-CD2 3.73Å; L269-L416 HydrophobicContact CG-CD2 4.21Å; L269-L419 HydrophobicContact CD2-CB 3.9Å; L269-L419 HydrophobicContact CD2-CD1 3.91Å; L269-I423 HydrophobicContact CD1-CD1 4.49Å; L269-I423 HydrophobicContact CD2-CD1 3.56Å; L269-I423 HydrophobicContact CG-CD1 3.93Å |
| 270 | Y | 95.5 | Very high | 95.5 | Very high | 117 Ų | 117 | 53.6 Ų | 53.6 | 46% | 0.459 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -54.8 | -45.4 | -172.5 | -70.3 | -6.8 | 0 | 0 | 0 | 113.5 | L264 V265 V266 P267 S272 I273 E274 | L264-Y270 VanDerWaalsContact O-CE1 3.31Å; L264-Y270 WeakPolarHBondContact O-CE1 3.43Å; V265-Y270 PolarHBondContact O-OH 3.46Å; V266-Y270 VanDerWaalsContact O-CD1 3.25Å; V266-Y270 WeakPolarHBondContact O-CD1 3.48Å; V266-Y270 WeakPolarHBondContact O-CE1 3.4Å; P267-Y270 HydrophobicContact CB-CD2 4.37Å; P267-Y270 HydrophobicContact CB-CE2 4.06Å; P267-Y270 HydrophobicContact CG-CE2 4.42Å; P267-Y270 WeakPolarHBondContact O-CB 3.41Å; P267-Y270 PolarHBondContact O-N 2.83Å; Y270-S272 VanDerWaalsContact C-N 3.29Å; Y270-S272 PolarHBondContact O-N 3.03Å; Y270-I273 HydrophobicContact CD1-CD1 4.49Å; Y270-I273 PolarHBondContact O-N 3.17Å; Y270-E274 WeakPolarHBondContact O-CB 3.42Å; Y270-E274 PolarHBondContact O-N 3.35Å |
| 271 | N | 96.7 | Very high | 95.5 | Very high | 130 Ų | 130 | 55.9 Ų | 55.9 | 70% | 0.695 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -62.4 | -36.7 | 179.4 | -66.7 | -24.7 | 0 | 0 | 0 | 112.3 | L269 F275 | L269-N271 PolarHBondContact O-N 3.32Å; N271-F275 VanDerWaalsContact O-CB 3.28Å; N271-F275 WeakPolarHBondContact O-CB 3.49Å; N271-F275 PolarHBondContact O-N 3.27Å; N271-F275 VanDerWaalsContact O-N 3.16Å |
| 272 | S | 96.1 | Very high | 95.4 | Very high | 13 Ų | 13 | 55 Ų | 55 | 9% | 0.091 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -72.7 | -39.9 | 178.3 | -66.4 | 0 | 0 | 0 | 0 | 111.3 | L269 Y270 F276 | L269-S272 WeakPolarHBondContact O-CB 3.32Å; L269-S272 PolarHBondContact O-N 3.22Å; Y270-S272 VanDerWaalsContact C-N 3.29Å; Y270-S272 PolarHBondContact O-N 3.03Å; S272-F276 WeakPolarHBondContact O-CB 2.88Å; S272-F276 PolarHBondContact O-N 3.42Å; S272-F276 VanDerWaalsContact O-N 3.07Å |
| 273 | I | 96.5 | Very high | 95.5 | Very high | 17 Ų | 17 | 54.1 Ų | 54.1 | 9% | 0.087 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.5 | -49.3 | 176.4 | -66.9 | 160 | 0 | 0 | 0 | 110.7 | F250 L264 L269 Y270 F275 F276 S277 Y412 | F250-I273 HydrophobicContact CE1-CG2 4.09Å; F250-I273 HydrophobicContact CZ-CG2 4.11Å; L264-I273 HydrophobicContact CD2-CD1 3.86Å; L264-I273 HydrophobicContact CD2-CG1 4.11Å; L264-I273 HydrophobicContact CD2-CG2 3.63Å; L269-I273 HydrophobicContact CB-CD1 3.82Å; L269-I273 HydrophobicContact CB-CG1 4.42Å; L269-I273 WeakPolarHBondContact O-CG1 3.25Å; L269-I273 PolarHBondContact O-N 3.35Å; Y270-I273 HydrophobicContact CD1-CD1 4.49Å; Y270-I273 PolarHBondContact O-N 3.17Å; I273-F275 PolarHBondContact O-N 2.89Å; I273-F276 PolarHBondContact O-N 3.34Å; I273-S277 VanDerWaalsContact O-CB 3.27Å; I273-S277 WeakPolarHBondContact O-CB 3.32Å; I273-S277 PolarHBondContact O-N 3.05Å; I273-Y412 HydrophobicContact CG1-CE2 3.94Å |
| 274 | E | 96.6 | Very high | 95.6 | Very high | 115 Ų | 115 | 54.2 Ų | 54.2 | 54% | 0.537 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.9 | -48.5 | 179.6 | -175.5 | 175.6 | -159.1 | 0 | 0 | 110.8 | Y270 F276 S277 E278 | Y270-E274 WeakPolarHBondContact O-CB 3.42Å; Y270-E274 PolarHBondContact O-N 3.35Å; E274-F276 VanDerWaalsContact C-N 3.33Å; E274-F276 PolarHBondContact O-N 3.18Å; E274-S277 PolarHBondContact O-N 3.03Å; E274-E278 WeakPolarHBondContact O-CG 3.47Å; E274-E278 PolarHBondContact O-N 3.3Å |
| 275 | F | 97.1 | Very high | 95.6 | Very high | 72 Ų | 72 | 58.2 Ų | 58.2 | 32% | 0.316 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.4 | -40.4 | 177.9 | -177.7 | -92.7 | 0 | 0 | 0 | 113.1 | N271 I273 K279 R415 | N271-F275 VanDerWaalsContact O-CB 3.28Å; N271-F275 WeakPolarHBondContact O-CB 3.49Å; N271-F275 PolarHBondContact O-N 3.27Å; N271-F275 VanDerWaalsContact O-N 3.16Å; I273-F275 PolarHBondContact O-N 2.89Å; F275-K279 HydrophobicContact CD1-CD 4.29Å; F275-K279 HydrophobicContact CE1-CD 3.75Å; F275-K279 HydrophobicContact CE2-CD 4.45Å; F275-K279 HydrophobicContact CZ-CD 3.88Å; F275-K279 WeakPolarHBondContact O-CG 3.2Å; F275-K279 PolarHBondContact O-N 3Å; F275-R415 VanDerWaalsContact CE1-NH2 3.26Å |
| 276 | F | 97.7 | Very high | 95.8 | Very high | 5 Ų | 5 | 56.6 Ų | 56.6 | 2% | 0.022 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.6 | -46.9 | 176.6 | 176.5 | -135.6 | 0 | 0 | 0 | 111 | F250 L253 S272 I273 E274 E278 K279 F280 L408 Q409 Y412 | F250-F276 AromaticContact CE2-CD1 3.47Å; F250-F276 HydrophobicContact CE2-CD1 3.47Å; F250-F276 VanDerWaalsContact CE2-CD1 3.47Å; F250-F276 AromaticContact CE2-CE1 3.66Å; F250-F276 HydrophobicContact CE2-CE1 3.66Å; F250-F276 HydrophobicContact CE2-CG 4.21Å; F250-F276 HydrophobicContact CZ-CD1 4.07Å; L253-F276 HydrophobicContact CD1-CE1 3.85Å; L253-F276 HydrophobicContact CD1-CZ 3.86Å; S272-F276 WeakPolarHBondContact O-CB 2.88Å; S272-F276 PolarHBondContact O-N 3.42Å; S272-F276 VanDerWaalsContact O-N 3.07Å; I273-F276 PolarHBondContact O-N 3.34Å; E274-F276 VanDerWaalsContact C-N 3.33Å; E274-F276 PolarHBondContact O-N 3.18Å; F276-E278 PolarHBondContact O-N 2.93Å; F276-K279 PolarHBondContact O-N 3.26Å; F276-F280 HydrophobicContact CD2-CB 4.27Å; F276-F280 HydrophobicContact CE2-CB 3.98Å; F276-F280 HydrophobicContact CE2-CD2 4.3Å; F276-F280 HydrophobicContact CE2-CG 4.43Å; F276-F280 HydrophobicContact CZ-CB 4.4Å; F276-F280 HydrophobicContact CZ-CD2 4.32Å; F276-F280 HydrophobicContact CZ-CG 4.47Å; F276-F280 WeakPolarHBondContact O-CB 3.31Å; F276-F280 PolarHBondContact O-N 2.9Å; F276-L408 HydrophobicContact CD2-CB 3.98Å; F276-L408 HydrophobicContact CE2-CB 3.81Å; F276-Q409 HydrophobicContact CE2-CB 4.29Å; F276-Q409 HydrophobicContact CZ-CB 4.04Å; F276-Y412 HydrophobicContact CB-CD2 3.74Å; F276-Y412 HydrophobicContact CB-CE2 4.42Å; F276-Y412 HydrophobicContact CB-CG 4.05Å; F276-Y412 AromaticContact CD1-CD1 3.69Å; F276-Y412 HydrophobicContact CD1-CD1 3.69Å; F276-Y412 AromaticContact CD1-CD2 3.84Å; F276-Y412 HydrophobicContact CD1-CD2 3.84Å; F276-Y412 HydrophobicContact CD1-CE1 4.1Å; F276-Y412 HydrophobicContact CD1-CE2 4.24Å; F276-Y412 AromaticContact CD1-CG 3.54Å; F276-Y412 HydrophobicContact CD1-CG 3.54Å; F276-Y412 AromaticContact CE1-CD1 3.93Å; F276-Y412 HydrophobicContact CE1-CD1 3.93Å; F276-Y412 HydrophobicContact CE1-CE1 4.37Å; F276-Y412 HydrophobicContact CE1-CG 4.17Å; F276-Y412 HydrophobicContact CG-CD1 4.41Å; F276-Y412 HydrophobicContact CG-CD2 4.01Å; F276-Y412 AromaticContact CG-CG 3.82Å; F276-Y412 HydrophobicContact CG-CG 3.82Å |
| 277 | S | 96.3 | Very high | 96 | Very high | 30 Ų | 30 | 56.5 Ų | 56.5 | 21% | 0.21 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -55.7 | -48.8 | 178.6 | 179.5 | 0 | 0 | 0 | 0 | 112.6 | F250 I273 E274 K279 T281 | F250-S277 WeakPolarHBondContact CD1-OG 3.42Å; F250-S277 WeakPolarHBondContact CG-OG 3.49Å; I273-S277 VanDerWaalsContact O-CB 3.27Å; I273-S277 WeakPolarHBondContact O-CB 3.32Å; I273-S277 PolarHBondContact O-N 3.05Å; E274-S277 PolarHBondContact O-N 3.03Å; S277-K279 PolarHBondContact O-N 3.39Å; S277-T281 WeakPolarHBondContact O-CB 3.23Å; S277-T281 PolarHBondContact O-N 3.05Å; S277-T281 PolarHBondContact O-OG1 3.35Å |
| 278 | E | 96.3 | Very high | 96.2 | Very high | 121 Ų | 121 | 56.1 Ų | 56.1 | 57% | 0.565 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -60.1 | -47.4 | 179.2 | -73.7 | -175 | 161.5 | 0 | 0 | 111.8 | E274 F276 H282 | E274-E278 WeakPolarHBondContact O-CG 3.47Å; E274-E278 PolarHBondContact O-N 3.3Å; F276-E278 PolarHBondContact O-N 2.93Å; E278-H282 VanDerWaalsContact O-CB 3.31Å; E278-H282 WeakPolarHBondContact O-CB 3.43Å; E278-H282 PolarHBondContact O-N 3.29Å |
| 279 | K | 97.7 | Very high | 96.4 | Very high | 84 Ų | 84 | 57.8 Ų | 57.8 | 37% | 0.365 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -71.4 | -41.8 | -177.8 | -72.3 | -168.6 | 170.2 | -167.1 | 0 | 112.8 | F275 F276 S277 H282 Q283 L408 | F275-K279 HydrophobicContact CD1-CD 4.29Å; F275-K279 HydrophobicContact CE1-CD 3.75Å; F275-K279 HydrophobicContact CE2-CD 4.45Å; F275-K279 HydrophobicContact CZ-CD 3.88Å; F275-K279 WeakPolarHBondContact O-CG 3.2Å; F275-K279 PolarHBondContact O-N 3Å; F276-K279 PolarHBondContact O-N 3.26Å; S277-K279 PolarHBondContact O-N 3.39Å; K279-H282 WeakPolarHBondContact O-CB 3.43Å; K279-H282 PolarHBondContact O-N 3.04Å; K279-Q283 PolarHBondContact O-N 3.26Å; K279-L408 HydrophobicContact CB-CD1 3.75Å; K279-L408 HydrophobicContact CB-CD2 3.91Å; K279-L408 HydrophobicContact CB-CG 4.48Å; K279-L408 HydrophobicContact CD-CD2 3.54Å; K279-L408 HydrophobicContact CG-CD2 4.42Å |
| 280 | F | 97.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.8 | -48.2 | 176.4 | 177.4 | -99 | 0 | 0 | 0 | 110.9 | I249 F250 L253 F276 H282 Q283 C284 C405 I465 F468 | I249-F280 HydrophobicContact CG1-CE1 4.3Å; I249-F280 HydrophobicContact CG2-CE1 4.35Å; F250-F280 HydrophobicContact CB-CD1 4.31Å; F250-F280 HydrophobicContact CD2-CB 4.49Å; F250-F280 HydrophobicContact CD2-CD1 4.03Å; F250-F280 HydrophobicContact CD2-CG 4.5Å; L253-F280 HydrophobicContact CD1-CD1 4.18Å; L253-F280 HydrophobicContact CD1-CD2 4.34Å; L253-F280 HydrophobicContact CD1-CE1 3.98Å; L253-F280 HydrophobicContact CD1-CE2 4.17Å; L253-F280 HydrophobicContact CD1-CG 4.35Å; L253-F280 HydrophobicContact CD1-CZ 3.98Å; L253-F280 HydrophobicContact CD2-CE1 4.41Å; L253-F280 HydrophobicContact CD2-CE2 4.29Å; L253-F280 HydrophobicContact CD2-CZ 3.85Å; L253-F280 HydrophobicContact CG-CE1 4.14Å; L253-F280 HydrophobicContact CG-CZ 4.07Å; F276-F280 HydrophobicContact CD2-CB 4.27Å; F276-F280 HydrophobicContact CE2-CB 3.98Å; F276-F280 HydrophobicContact CE2-CD2 4.3Å; F276-F280 HydrophobicContact CE2-CG 4.43Å; F276-F280 HydrophobicContact CZ-CB 4.4Å; F276-F280 HydrophobicContact CZ-CD2 4.32Å; F276-F280 HydrophobicContact CZ-CG 4.47Å; F276-F280 WeakPolarHBondContact O-CB 3.31Å; F276-F280 PolarHBondContact O-N 2.9Å; F280-H282 VanDerWaalsContact C-N 3.27Å; F280-H282 PolarHBondContact O-N 3.37Å; F280-Q283 PolarHBondContact O-N 3.47Å; F280-C284 PolarHBondContact O-N 3.27Å; F280-C284 PolarHBondContact O-SG 2.93Å; F280-C405 HydrophobicContact CD2-CB 4.06Å; F280-C405 HydrophobicContact CE2-CB 3.97Å; F280-I465 HydrophobicContact CE2-CD1 4.08Å; F280-I465 HydrophobicContact CE2-CG1 3.91Å; F280-I465 HydrophobicContact CZ-CG1 4.45Å; F280-F468 HydrophobicContact CZ-CE2 4.27Å |
| 281 | T | 95.6 | Very high | 96.6 | Very high | 49 Ų | 49 | 53.3 Ų | 53.3 | 30% | 0.301 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.3 | -37.5 | 177.1 | -55.9 | 0 | 0 | 0 | 0 | 111.2 | I249 S277 C284 K285 | I249-T281 HydrophobicContact CG2-CG2 4.33Å; S277-T281 WeakPolarHBondContact O-CB 3.23Å; S277-T281 PolarHBondContact O-N 3.05Å; S277-T281 PolarHBondContact O-OG1 3.35Å; T281-C284 PolarHBondContact O-N 3.41Å; T281-K285 WeakPolarHBondContact O-CB 3.3Å; T281-K285 PolarHBondContact O-N 2.95Å |
| 282 | H | 95.8 | Very high | 96.6 | Very high | 107 Ų | 107 | 49.7 Ų | 49.7 | 50% | 0.495 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.2 | -45.6 | 174 | -177.8 | 60.3 | 0 | 0 | 0 | 112.5 | E278 K279 F280 K285 L286 | E278-H282 VanDerWaalsContact O-CB 3.31Å; E278-H282 WeakPolarHBondContact O-CB 3.43Å; E278-H282 PolarHBondContact O-N 3.29Å; K279-H282 WeakPolarHBondContact O-CB 3.43Å; K279-H282 PolarHBondContact O-N 3.04Å; F280-H282 VanDerWaalsContact C-N 3.27Å; F280-H282 PolarHBondContact O-N 3.37Å; H282-K285 WeakPolarHBondContact O-CB 3.4Å; H282-K285 PolarHBondContact O-N 3.22Å; H282-L286 WeakPolarHBondContact O-CG 3.11Å; H282-L286 PolarHBondContact O-N 3.13Å |
| 283 | Q | 96.8 | Very high | 96.7 | Very high | 34 Ų | 34 | 55.1 Ų | 55.1 | 16% | 0.159 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 176 | -69.8 | -59.4 | -22.9 | 0 | 0 | 112 | K279 F280 K285 L286 V287 E404 C405 L408 | K279-Q283 PolarHBondContact O-N 3.26Å; F280-Q283 PolarHBondContact O-N 3.47Å; Q283-K285 PolarHBondContact O-N 3.3Å; Q283-L286 WeakPolarHBondContact O-CB 3.31Å; Q283-L286 PolarHBondContact O-N 2.93Å; Q283-V287 PolarHBondContact O-N 3.44Å; Q283-E404 HydrophobicContact CG-CB 4.48Å; Q283-C405 WeakPolarHBondContact CB-SG 3.48Å; Q283-L408 HydrophobicContact CG-CD1 4.02Å |
| 284 | C | 96.1 | Very high | 96.8 | Very high | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.014 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60 | -36.6 | 176.1 | -62.8 | 0 | 0 | 0 | 0 | 112.1 | I249 F280 T281 V287 F288 | I249-C284 HydrophobicContact CD1-CB 3.78Å; I249-C284 HydrophobicContact CG2-CB 4.13Å; F280-C284 PolarHBondContact O-N 3.27Å; F280-C284 PolarHBondContact O-SG 2.93Å; T281-C284 PolarHBondContact O-N 3.41Å; C284-V287 WeakPolarHBondContact O-CB 3.47Å; C284-V287 PolarHBondContact O-N 2.9Å; C284-F288 PolarHBondContact O-N 2.86Å |
| 285 | K | 94.7 | Very high | 96.9 | Very high | 121 Ų | 121 | 50 Ų | 50 | 53% | 0.526 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66 | -38.2 | 174.3 | -176.3 | 178.8 | 174.5 | -177.5 | 0 | 112.4 | T281 H282 Q283 F288 E289 | T281-K285 WeakPolarHBondContact O-CB 3.3Å; T281-K285 PolarHBondContact O-N 2.95Å; H282-K285 WeakPolarHBondContact O-CB 3.4Å; H282-K285 PolarHBondContact O-N 3.22Å; Q283-K285 PolarHBondContact O-N 3.3Å; K285-F288 WeakPolarHBondContact O-CB 3.36Å; K285-F288 PolarHBondContact O-N 3.03Å; K285-E289 WeakPolarHBondContact CE-OE1 3.38Å; K285-E289 WeakPolarHBondContact O-CG 3.41Å; K285-E289 PolarHBondContact O-N 2.92Å |
| 286 | L | 96.6 | Very high | 96.9 | Very high | 50 Ų | 50 | 50.1 Ų | 50.1 | 26% | 0.262 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.8 | -41.7 | 174.4 | -65.7 | 175.7 | 0 | 0 | 0 | 111.3 | H282 Q283 F288 E289 L290 | H282-L286 WeakPolarHBondContact O-CG 3.11Å; H282-L286 PolarHBondContact O-N 3.13Å; Q283-L286 WeakPolarHBondContact O-CB 3.31Å; Q283-L286 PolarHBondContact O-N 2.93Å; L286-F288 VanDerWaalsContact C-N 3.32Å; L286-F288 PolarHBondContact O-N 3.38Å; L286-E289 PolarHBondContact O-N 2.93Å; L286-L290 VanDerWaalsContact O-CB 3.27Å; L286-L290 WeakPolarHBondContact O-CB 3.21Å; L286-L290 PolarHBondContact O-N 3.27Å |
| 287 | V | 97.4 | Very high | 97 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.5 | -44.1 | 172.3 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | M244 Q283 C284 L290 G291 V398 H401 F402 I472 | M244-V287 HydrophobicContact CG-CG1 4.33Å; Q283-V287 PolarHBondContact O-N 3.44Å; C284-V287 WeakPolarHBondContact O-CB 3.47Å; C284-V287 PolarHBondContact O-N 2.9Å; V287-L290 PolarHBondContact O-N 3.4Å; V287-G291 PolarHBondContact O-N 3.46Å; V287-V398 HydrophobicContact CG1-CG1 4.49Å; V287-V398 HydrophobicContact CG1-CG2 4.42Å; V287-H401 HydrophobicContact CG2-CB 3.46Å; V287-H401 VanDerWaalsContact CG2-CB 3.46Å; V287-F402 HydrophobicContact CG1-CE2 4.31Å; V287-F402 HydrophobicContact CG2-CE2 4.26Å; V287-I472 HydrophobicContact CG1-CD1 3.78Å |
| 288 | F | 96.1 | Very high | 97 | Very high | 46 Ų | 46 | 52.6 Ų | 52.6 | 20% | 0.202 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.7 | -48.5 | 176.5 | 178.2 | -85.2 | 0 | 0 | 0 | 112 | Y236 I241 M244 V245 C284 K285 L286 L290 G291 I292 | Y236-F288 AromaticContact CD1-CE2 3.79Å; Y236-F288 HydrophobicContact CD1-CE2 3.79Å; Y236-F288 AromaticContact CD1-CZ 3.89Å; Y236-F288 HydrophobicContact CD1-CZ 3.89Å; Y236-F288 HydrophobicContact CE1-CE1 4.49Å; Y236-F288 AromaticContact CE1-CE2 3.7Å; Y236-F288 HydrophobicContact CE1-CE2 3.7Å; Y236-F288 AromaticContact CE1-CZ 3.34Å; Y236-F288 HydrophobicContact CE1-CZ 3.34Å; Y236-F288 HydrophobicContact CE2-CE2 4.39Å; Y236-F288 HydrophobicContact CE2-CZ 4.44Å; Y236-F288 HydrophobicContact CG-CE2 4.22Å; Y236-F288 AromaticContact CZ-CE2 4Å; Y236-F288 AromaticContact CZ-CZ 3.65Å; I241-F288 HydrophobicContact CB-CD2 4.37Å; I241-F288 HydrophobicContact CD1-CD2 3.51Å; I241-F288 HydrophobicContact CD1-CE2 3.69Å; I241-F288 HydrophobicContact CD1-CG 3.95Å; I241-F288 HydrophobicContact CD1-CZ 4.31Å; I241-F288 VanDerWaalsContact CD1-O 3.25Å; I241-F288 WeakPolarHBondContact CD1-O 3.23Å; I241-F288 HydrophobicContact CG1-CD2 4.08Å; I241-F288 HydrophobicContact CG1-CE2 4.26Å; M244-F288 HydrophobicContact CB-CB 4.44Å; M244-F288 HydrophobicContact CB-CD2 4.4Å; V245-F288 HydrophobicContact CG2-CE2 4.03Å; C284-F288 PolarHBondContact O-N 2.86Å; K285-F288 WeakPolarHBondContact O-CB 3.36Å; K285-F288 PolarHBondContact O-N 3.03Å; L286-F288 VanDerWaalsContact C-N 3.32Å; L286-F288 PolarHBondContact O-N 3.38Å; F288-L290 VanDerWaalsContact C-N 3.34Å; F288-L290 PolarHBondContact O-N 3.07Å; F288-G291 PolarHBondContact O-N 3.35Å; F288-I292 HydrophobicContact CD1-CG1 4.45Å; F288-I292 HydrophobicContact CE1-CG1 4.05Å; F288-I292 HydrophobicContact CZ-CD1 4.48Å; F288-I292 HydrophobicContact CZ-CG1 4.32Å; F288-I292 WeakPolarHBondContact O-CG1 3.05Å; F288-I292 PolarHBondContact O-N 3.45Å; F288-I292 VanDerWaalsContact O-N 3.13Å |
| 289 | E | 96.1 | Very high | 97.1 | Very high | 99 Ų | 99 | 50 Ų | 50 | 46% | 0.463 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.3 | -39.9 | 178.3 | -71.9 | 177.1 | -173.4 | 0 | 0 | 112.2 | K285 L286 I292 K293 | K285-E289 WeakPolarHBondContact CE-OE1 3.38Å; K285-E289 WeakPolarHBondContact O-CG 3.41Å; K285-E289 PolarHBondContact O-N 2.92Å; L286-E289 PolarHBondContact O-N 2.93Å; E289-I292 PolarHBondContact O-N 3.08Å; E289-K293 WeakPolarHBondContact O-CB 3.49Å; E289-K293 PolarHBondContact O-N 3.38Å |
| 290 | L | 97.5 | Very high | 97.1 | Very high | 24 Ų | 24 | 51.7 Ų | 51.7 | 13% | 0.126 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.5 | -47.9 | 173.2 | 177.1 | 67.1 | 0 | 0 | 0 | 111.1 | L286 V287 F288 I292 K293 E294 F394 N397 V398 | L286-L290 VanDerWaalsContact O-CB 3.27Å; L286-L290 WeakPolarHBondContact O-CB 3.21Å; L286-L290 PolarHBondContact O-N 3.27Å; V287-L290 PolarHBondContact O-N 3.4Å; F288-L290 VanDerWaalsContact C-N 3.34Å; F288-L290 PolarHBondContact O-N 3.07Å; L290-I292 PolarHBondContact O-N 2.99Å; L290-K293 PolarHBondContact O-N 3Å; L290-E294 HydrophobicContact CD1-CG 3.97Å; L290-E294 HydrophobicContact CG-CG 4.4Å; L290-E294 WeakPolarHBondContact O-CG 3.48Å; L290-E294 PolarHBondContact O-N 2.88Å; L290-F394 HydrophobicContact CD2-CD2 4.22Å; L290-F394 HydrophobicContact CD2-CE2 4.28Å; L290-F394 HydrophobicContact CG-CD2 4.08Å; L290-F394 HydrophobicContact CG-CE2 4.11Å; L290-N397 HydrophobicContact CD1-CB 4.41Å; L290-N397 HydrophobicContact CD2-CB 3.61Å; L290-V398 HydrophobicContact CD2-CG2 3.93Å |
| 291 | G | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59 | -43.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V287 F288 H295 | V287-G291 PolarHBondContact O-N 3.46Å; F288-G291 PolarHBondContact O-N 3.35Å; G291-H295 WeakPolarHBondContact O-CB 3.42Å; G291-H295 PolarHBondContact O-N 3.2Å |
| 292 | I | 97.6 | Very high | 97.1 | Very high | 53 Ų | 53 | 52.4 Ų | 52.4 | 27% | 0.272 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.6 | -46.1 | 175 | -64.6 | -62.1 | 0 | 0 | 0 | 111.3 | L235 Y236 A239 I241 F288 E289 L290 H295 D296 | L235-I292 HydrophobicContact CD2-CD1 4.22Å; L235-I292 HydrophobicContact CG-CD1 4.2Å; Y236-I292 HydrophobicContact CD1-CD1 3.96Å; Y236-I292 HydrophobicContact CE1-CD1 4.03Å; A239-I292 HydrophobicContact CB-CD1 4.27Å; I241-I292 HydrophobicContact CD1-CD1 3.72Å; I241-I292 HydrophobicContact CD1-CG1 3.74Å; F288-I292 HydrophobicContact CD1-CG1 4.45Å; F288-I292 HydrophobicContact CE1-CG1 4.05Å; F288-I292 HydrophobicContact CZ-CD1 4.48Å; F288-I292 HydrophobicContact CZ-CG1 4.32Å; F288-I292 WeakPolarHBondContact O-CG1 3.05Å; F288-I292 PolarHBondContact O-N 3.45Å; F288-I292 VanDerWaalsContact O-N 3.13Å; E289-I292 PolarHBondContact O-N 3.08Å; L290-I292 PolarHBondContact O-N 2.99Å; I292-H295 PolarHBondContact O-N 2.95Å; I292-D296 PolarHBondContact O-N 3.08Å |
| 293 | K | 98.1 | Very high | 97.2 | Very high | 128 Ų | 128 | 53 Ų | 53 | 56% | 0.557 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -64.5 | -44.2 | -179 | -177.6 | -175.3 | 177.1 | -172 | 0 | 112 | E289 L290 D296 K297 | E289-K293 WeakPolarHBondContact O-CB 3.49Å; E289-K293 PolarHBondContact O-N 3.38Å; L290-K293 PolarHBondContact O-N 3Å; K293-D296 PolarHBondContact O-N 3.01Å; K293-K297 PolarHBondContact O-N 3.3Å |
| 294 | E | 98 | Very high | 97.3 | Very high | 10 Ų | 10 | 54.3 Ų | 54.3 | 5% | 0.047 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -70.5 | -33 | 178 | -68.2 | -52.8 | 129.9 | 0 | 0 | 111.8 | L290 K297 R298 F394 | L290-E294 HydrophobicContact CD1-CG 3.97Å; L290-E294 HydrophobicContact CG-CG 4.4Å; L290-E294 WeakPolarHBondContact O-CG 3.48Å; L290-E294 PolarHBondContact O-N 2.88Å; E294-K297 PolarHBondContact O-N 3.24Å; E294-K297 WeakPolarHBondContact OE1-CE 2.98Å; E294-K297 IonicContact OE1-NZ 3.83Å; E294-K297 PolarHBondContact OE1-NZ 2.92Å; E294-K297 WeakPolarHBondContact OE2-CD 3.13Å; E294-K297 IonicContact OE2-NZ 3.65Å; E294-R298 VanDerWaalsContact C-NH1 3.35Å; E294-R298 WeakPolarHBondContact O-CG 3.43Å; E294-R298 PolarHBondContact O-N 2.79Å; E294-R298 PolarHBondContact O-NH1 3.25Å; E294-F394 HydrophobicContact CB-CD2 3.93Å; E294-F394 HydrophobicContact CB-CG 4.35Å; E294-F394 HydrophobicContact CG-CB 4.22Å; E294-F394 HydrophobicContact CG-CD2 3.74Å; E294-F394 HydrophobicContact CG-CG 4.32Å |
| 295 | H | 98.1 | Very high | 97.3 | Very high | 14 Ų | 14 | 54.8 Ų | 54.8 | 7% | 0.065 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.8 | -45.4 | 171.5 | 176.7 | 73.4 | 0 | 0 | 0 | 112.3 | Q238 A239 G291 I292 K297 R298 N299 | Q238-H295 VanDerWaalsContact CB-CE1 3.47Å; Q238-H295 WeakPolarHBondContact CB-CE1 3.45Å; Q238-H295 PolarHBondContact O-ND1 2.92Å; Q238-H295 VanDerWaalsContact O-ND1 3.13Å; A239-H295 HydrophobicContact CB-CB 3.79Å; G291-H295 WeakPolarHBondContact O-CB 3.42Å; G291-H295 PolarHBondContact O-N 3.2Å; I292-H295 PolarHBondContact O-N 2.95Å; H295-K297 VanDerWaalsContact C-N 3.34Å; H295-K297 PolarHBondContact O-N 3.49Å; H295-R298 PolarHBondContact O-N 3.37Å; H295-N299 PolarHBondContact CD2-ND2 3.35Å; H295-N299 PolarHBondContact CE1-ND2 2.81Å; H295-N299 VanDerWaalsContact CE1-ND2 3.32Å; H295-N299 PolarHBondContact NE2-ND2 3.29Å; H295-N299 PolarHBondContact O-N 2.9Å |
| 296 | D | 98 | Very high | 97.4 | Very high | 74 Ų | 74 | 56.5 Ų | 56.5 | 40% | 0.396 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.9 | -43 | 175.5 | 175.9 | 60.7 | 0 | 0 | 0 | 112.1 | I292 K293 N299 K300 | I292-D296 PolarHBondContact O-N 3.08Å; K293-D296 PolarHBondContact O-N 3.01Å; D296-N299 PolarHBondContact O-N 2.81Å; D296-K300 WeakPolarHBondContact O-CG 3.36Å; D296-K300 PolarHBondContact O-N 2.91Å; D296-K300 VanDerWaalsContact O-N 3.1Å; D296-K300 WeakPolarHBondContact OD1-CE 3.26Å; D296-K300 IonicContact OD1-NZ 3.67Å; D296-K300 WeakPolarHBondContact OD2-CE 3.4Å; D296-K300 IonicContact OD2-NZ 3.51Å; D296-K300 PolarHBondContact OD2-NZ 3.07Å |
| 297 | K | 98.2 | Very high | 97.4 | Very high | 87 Ų | 87 | 57.9 Ų | 57.9 | 38% | 0.378 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61 | -46.5 | 174.5 | -69.1 | 174.8 | 176.5 | 177.3 | 0 | 111.9 | K293 E294 H295 N299 K300 E301 M390 | K293-K297 PolarHBondContact O-N 3.3Å; E294-K297 PolarHBondContact O-N 3.24Å; E294-K297 WeakPolarHBondContact OE1-CE 2.98Å; E294-K297 IonicContact OE1-NZ 3.83Å; E294-K297 PolarHBondContact OE1-NZ 2.92Å; E294-K297 WeakPolarHBondContact OE2-CD 3.13Å; E294-K297 IonicContact OE2-NZ 3.65Å; H295-K297 VanDerWaalsContact C-N 3.34Å; H295-K297 PolarHBondContact O-N 3.49Å; K297-N299 VanDerWaalsContact C-N 3.31Å; K297-N299 PolarHBondContact O-N 2.9Å; K297-K300 WeakPolarHBondContact O-CB 3.17Å; K297-K300 PolarHBondContact O-N 3.32Å; K297-E301 PolarHBondContact O-N 3.13Å; K297-M390 VanDerWaalsContact C-CE 3.42Å; K297-M390 HydrophobicContact CB-CE 3.55Å |
| 298 | R | 97.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 60 Ų | 60 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.7 | -41.8 | 179 | -72.9 | -171.6 | -55.6 | -90.2 | 8 | 111.6 | Q238 E294 H295 K300 E301 I302 L387 M390 | Q238-R298 PolarHBondContact O-NH2 2.94Å; E294-R298 VanDerWaalsContact C-NH1 3.35Å; E294-R298 WeakPolarHBondContact O-CG 3.43Å; E294-R298 PolarHBondContact O-N 2.79Å; E294-R298 PolarHBondContact O-NH1 3.25Å; H295-R298 PolarHBondContact O-N 3.37Å; R298-K300 VanDerWaalsContact C-N 3.34Å; R298-K300 PolarHBondContact O-N 3.03Å; R298-E301 PolarHBondContact O-N 3.31Å; R298-I302 VanDerWaalsContact O-CG1 3.3Å; R298-I302 WeakPolarHBondContact O-CG1 3.45Å; R298-I302 PolarHBondContact O-N 3.26Å; R298-L387 HydrophobicContact CG-CD1 4.39Å; R298-M390 HydrophobicContact CB-CE 4.29Å; R298-M390 HydrophobicContact CG-CE 3.77Å |
| 299 | N | 97.2 | Very high | 97.4 | Very high | 67 Ų | 67 | 57.9 Ų | 57.9 | 36% | 0.358 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.7 | -40 | 177.3 | -73.6 | -20.8 | 0 | 0 | 0 | 112.4 | H295 D296 K297 E301 I302 E303 | H295-N299 PolarHBondContact CD2-ND2 3.35Å; H295-N299 PolarHBondContact CE1-ND2 2.81Å; H295-N299 VanDerWaalsContact CE1-ND2 3.32Å; H295-N299 PolarHBondContact NE2-ND2 3.29Å; H295-N299 PolarHBondContact O-N 2.9Å; D296-N299 PolarHBondContact O-N 2.81Å; K297-N299 VanDerWaalsContact C-N 3.31Å; K297-N299 PolarHBondContact O-N 2.9Å; N299-E301 VanDerWaalsContact C-N 3.34Å; N299-I302 PolarHBondContact O-N 2.59Å; N299-E303 WeakPolarHBondContact O-CB 3.37Å; N299-E303 PolarHBondContact O-N 2.73Å |
| 300 | K | 98 | Very high | 97.4 | Very high | 119 Ų | 119 | 57.5 Ų | 57.5 | 52% | 0.517 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.2 | -40.1 | 175 | -73.4 | 168.1 | 177.9 | 164.2 | 0 | 112.2 | D296 K297 R298 E303 S304 | D296-K300 WeakPolarHBondContact O-CG 3.36Å; D296-K300 PolarHBondContact O-N 2.91Å; D296-K300 VanDerWaalsContact O-N 3.1Å; D296-K300 WeakPolarHBondContact OD1-CE 3.26Å; D296-K300 IonicContact OD1-NZ 3.67Å; D296-K300 WeakPolarHBondContact OD2-CE 3.4Å; D296-K300 IonicContact OD2-NZ 3.51Å; D296-K300 PolarHBondContact OD2-NZ 3.07Å; K297-K300 WeakPolarHBondContact O-CB 3.17Å; K297-K300 PolarHBondContact O-N 3.32Å; R298-K300 VanDerWaalsContact C-N 3.34Å; R298-K300 PolarHBondContact O-N 3.03Å; K300-E303 PolarHBondContact O-N 2.94Å; K300-S304 WeakPolarHBondContact O-CB 3.47Å; K300-S304 PolarHBondContact O-N 2.97Å |
| 301 | E | 97.6 | Very high | 97.4 | Very high | 45 Ų | 45 | 62 Ų | 62 | 21% | 0.21 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.7 | -45.8 | 175.1 | -177.5 | 61.3 | -169.7 | 0 | 0 | 111.3 | K297 R298 N299 E303 S304 F305 F383 N386 M390 | K297-E301 PolarHBondContact O-N 3.13Å; R298-E301 PolarHBondContact O-N 3.31Å; N299-E301 VanDerWaalsContact C-N 3.34Å; E301-E303 VanDerWaalsContact C-N 3.31Å; E301-E303 PolarHBondContact O-N 3.49Å; E301-S304 PolarHBondContact O-N 2.79Å; E301-F305 WeakPolarHBondContact O-CB 3.4Å; E301-F305 PolarHBondContact O-N 2.9Å; E301-F383 HydrophobicContact CG-CD2 3.98Å; E301-F383 HydrophobicContact CG-CE2 3.92Å; E301-N386 HydrophobicContact CG-CB 4.49Å; E301-N386 WeakPolarHBondContact OE1-CB 3.2Å; E301-N386 PolarHBondContact OE1-ND2 2.98Å; E301-M390 HydrophobicContact CB-CE 4.45Å; E301-M390 HydrophobicContact CB-SD 4.05Å; E301-M390 HydrophobicContact CG-SD 4.13Å |
| 302 | I | 96.6 | Very high | 97.3 | Very high | 19 Ų | 19 | 62.4 Ų | 62.4 | 10% | 0.097 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.9 | -41.9 | 175.6 | -69.8 | 164.8 | 0 | 0 | 0 | 111.3 | R298 N299 R306 F383 W479 | R298-I302 VanDerWaalsContact O-CG1 3.3Å; R298-I302 WeakPolarHBondContact O-CG1 3.45Å; R298-I302 PolarHBondContact O-N 3.26Å; N299-I302 PolarHBondContact O-N 2.59Å; I302-R306 WeakPolarHBondContact O-CB 3.26Å; I302-R306 VanDerWaalsContact O-CG 3.27Å; I302-R306 WeakPolarHBondContact O-CG 3.13Å; I302-R306 PolarHBondContact O-N 3.39Å; I302-F383 HydrophobicContact CG1-CE2 3.98Å; I302-F383 HydrophobicContact CG1-CZ 3.88Å; I302-W479 HydrophobicContact CD1-CH2 4.03Å; I302-W479 HydrophobicContact CD1-CZ2 3.94Å |
| 303 | E | 97.3 | Very high | 97.2 | Very high | 118 Ų | 118 | 62.5 Ų | 62.5 | 55% | 0.551 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -64.5 | -45.1 | 176.8 | -175.3 | 179.7 | -176.2 | 0 | 0 | 111.4 | N299 K300 E301 R306 N307 | N299-E303 WeakPolarHBondContact O-CB 3.37Å; N299-E303 PolarHBondContact O-N 2.73Å; K300-E303 PolarHBondContact O-N 2.94Å; E301-E303 VanDerWaalsContact C-N 3.31Å; E301-E303 PolarHBondContact O-N 3.49Å; E303-R306 PolarHBondContact O-N 2.88Å; E303-N307 WeakPolarHBondContact O-CB 3.46Å; E303-N307 VanDerWaalsContact O-CG 3.24Å; E303-N307 PolarHBondContact O-N 2.99Å; E303-N307 PolarHBondContact O-ND2 3.39Å; E303-N307 VanDerWaalsContact O-ND2 3.15Å |
| 304 | S | 97.5 | Very high | 97.2 | Very high | 62 Ų | 62 | 61.2 Ų | 61.2 | 43% | 0.434 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.8 | -48.8 | 176.3 | -170 | 0 | 0 | 0 | 0 | 111.6 | K300 E301 R306 N307 C308 | K300-S304 WeakPolarHBondContact O-CB 3.47Å; K300-S304 PolarHBondContact O-N 2.97Å; E301-S304 PolarHBondContact O-N 2.79Å; S304-R306 PolarHBondContact O-N 2.95Å; S304-N307 WeakPolarHBondContact O-CB 3.4Å; S304-N307 PolarHBondContact O-N 2.8Å; S304-C308 PolarHBondContact O-N 3.36Å; S304-C308 PolarHBondContact O-SG 2.93Å; S304-C308 VanDerWaalsContact O-SG 3.39Å |
| 305 | F | 97.3 | Very high | 97.1 | Very high | 13 Ų | 13 | 65.2 Ų | 65.2 | 6% | 0.057 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.6 | -49 | 175.9 | 169.2 | -106 | 0 | 0 | 0 | 112.2 | E301 N307 C308 I309 L379 I380 F383 I487 | E301-F305 WeakPolarHBondContact O-CB 3.4Å; E301-F305 PolarHBondContact O-N 2.9Å; F305-N307 VanDerWaalsContact C-N 3.32Å; F305-N307 PolarHBondContact O-N 3.2Å; F305-C308 WeakPolarHBondContact O-CB 3.3Å; F305-C308 PolarHBondContact O-N 2.98Å; F305-C308 VanDerWaalsContact O-N 3.17Å; F305-I309 HydrophobicContact CD2-CG1 4.2Å; F305-I309 HydrophobicContact CE1-CG1 4.06Å; F305-I309 HydrophobicContact CE2-CD1 3.85Å; F305-I309 HydrophobicContact CE2-CG1 3.69Å; F305-I309 HydrophobicContact CZ-CD1 3.88Å; F305-I309 HydrophobicContact CZ-CG1 3.61Å; F305-I309 WeakPolarHBondContact O-CG1 3.31Å; F305-I309 PolarHBondContact O-N 3.11Å; F305-L379 HydrophobicContact CE2-CB 4.2Å; F305-I380 HydrophobicContact CE2-CG1 4.06Å; F305-I380 HydrophobicContact CZ-CG1 3.88Å; F305-F383 HydrophobicContact CB-CB 4.47Å; F305-F383 HydrophobicContact CB-CD2 3.53Å; F305-F383 HydrophobicContact CB-CE2 4.01Å; F305-F383 HydrophobicContact CB-CG 4.13Å; F305-F383 HydrophobicContact CD1-CD2 4.26Å; F305-F383 HydrophobicContact CD1-CE2 4.45Å; F305-F383 HydrophobicContact CD1-CG 4.27Å; F305-F383 HydrophobicContact CD2-CB 3.53Å; F305-F383 HydrophobicContact CD2-CD2 4.09Å; F305-F383 AromaticContact CD2-CG 3.79Å; F305-F383 HydrophobicContact CD2-CG 3.79Å; F305-F383 HydrophobicContact CE2-CB 3.94Å; F305-F383 HydrophobicContact CE2-CG 4.28Å; F305-F383 HydrophobicContact CG-CB 4.04Å; F305-F383 HydrophobicContact CG-CD1 4.43Å; F305-F383 AromaticContact CG-CD2 3.69Å; F305-F383 HydrophobicContact CG-CD2 3.69Å; F305-F383 HydrophobicContact CG-CE2 4.25Å; F305-F383 AromaticContact CG-CG 3.78Å; F305-F383 HydrophobicContact CG-CG 3.78Å; F305-I487 HydrophobicContact CD1-CD1 4.42Å; F305-I487 HydrophobicContact CE1-CD1 3.94Å; F305-I487 HydrophobicContact CE1-CG1 4.3Å; F305-I487 HydrophobicContact CE1-CG2 3.73Å; F305-I487 HydrophobicContact CZ-CG2 3.57Å |
| 306 | R | 96 | Very high | 97 | Very high | 157 Ų | 157 | 65.2 Ų | 65.2 | 59% | 0.592 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -59 | -43.5 | 177.8 | -76.3 | 174.2 | 179.4 | 165 | 2.5 | 111.9 | I302 E303 S304 C308 I309 D310 | I302-R306 WeakPolarHBondContact O-CB 3.26Å; I302-R306 VanDerWaalsContact O-CG 3.27Å; I302-R306 WeakPolarHBondContact O-CG 3.13Å; I302-R306 PolarHBondContact O-N 3.39Å; E303-R306 PolarHBondContact O-N 2.88Å; S304-R306 PolarHBondContact O-N 2.95Å; R306-C308 VanDerWaalsContact C-N 3.33Å; R306-C308 PolarHBondContact O-N 3.26Å; R306-I309 PolarHBondContact O-N 3.23Å; R306-D310 WeakPolarHBondContact O-CB 3.41Å; R306-D310 PolarHBondContact O-N 3.43Å |
| 307 | N | 97.3 | Very high | 96.8 | Very high | 78 Ų | 78 | 63.3 Ų | 63.3 | 42% | 0.417 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.4 | -41 | 177.2 | -72.5 | -31.5 | 0 | 0 | 0 | 112 | E303 S304 F305 D310 Q311 | E303-N307 WeakPolarHBondContact O-CB 3.46Å; E303-N307 VanDerWaalsContact O-CG 3.24Å; E303-N307 PolarHBondContact O-N 2.99Å; E303-N307 PolarHBondContact O-ND2 3.39Å; E303-N307 VanDerWaalsContact O-ND2 3.15Å; S304-N307 WeakPolarHBondContact O-CB 3.4Å; S304-N307 PolarHBondContact O-N 2.8Å; F305-N307 VanDerWaalsContact C-N 3.32Å; F305-N307 PolarHBondContact O-N 3.2Å; N307-D310 PolarHBondContact O-N 3.4Å; N307-Q311 WeakPolarHBondContact O-CB 3.49Å; N307-Q311 VanDerWaalsContact O-CG 3.23Å; N307-Q311 WeakPolarHBondContact O-CG 3.44Å; N307-Q311 PolarHBondContact O-N 2.97Å |
| 308 | C | 97.4 | Very high | 96.8 | Very high | 46 Ų | 46 | 64.2 Ų | 64.2 | 31% | 0.311 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 176 | -69.1 | 0 | 0 | 0 | 0 | 112 | S304 F305 R306 Q311 A312 L379 | S304-C308 PolarHBondContact O-N 3.36Å; S304-C308 PolarHBondContact O-SG 2.93Å; S304-C308 VanDerWaalsContact O-SG 3.39Å; F305-C308 WeakPolarHBondContact O-CB 3.3Å; F305-C308 PolarHBondContact O-N 2.98Å; F305-C308 VanDerWaalsContact O-N 3.17Å; R306-C308 VanDerWaalsContact C-N 3.33Å; R306-C308 PolarHBondContact O-N 3.26Å; C308-Q311 PolarHBondContact O-N 3.09Å; C308-A312 PolarHBondContact O-N 2.9Å; C308-L379 HydrophobicContact CB-CD1 4.12Å; C308-L379 HydrophobicContact CB-CD2 3.97Å |
| 309 | I | 95.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61 | -46.5 | 176.4 | -67.7 | -69.2 | 0 | 0 | 0 | 111 | F305 R306 Q311 A312 K313 I376 L379 | F305-I309 HydrophobicContact CD2-CG1 4.2Å; F305-I309 HydrophobicContact CE1-CG1 4.06Å; F305-I309 HydrophobicContact CE2-CD1 3.85Å; F305-I309 HydrophobicContact CE2-CG1 3.69Å; F305-I309 HydrophobicContact CZ-CD1 3.88Å; F305-I309 HydrophobicContact CZ-CG1 3.61Å; F305-I309 WeakPolarHBondContact O-CG1 3.31Å; F305-I309 PolarHBondContact O-N 3.11Å; R306-I309 PolarHBondContact O-N 3.23Å; I309-Q311 VanDerWaalsContact C-N 3.33Å; I309-Q311 PolarHBondContact O-N 2.96Å; I309-A312 PolarHBondContact O-N 2.98Å; I309-K313 HydrophobicContact CG2-CD 3.96Å; I309-K313 HydrophobicContact CG2-CG 4.45Å; I309-K313 WeakPolarHBondContact O-CG 3.26Å; I309-K313 PolarHBondContact O-N 2.88Å; I309-I376 HydrophobicContact CD1-CB 4.23Å; I309-I376 HydrophobicContact CD1-CG1 3.81Å; I309-I376 HydrophobicContact CD1-CG2 3.94Å; I309-L379 HydrophobicContact CD1-CB 4.07Å; I309-L379 HydrophobicContact CD1-CD1 3.8Å; I309-L379 HydrophobicContact CG1-CD1 4.43Å |
| 310 | D | 96 | Very high | 96.6 | Very high | 91 Ų | 91 | 65.9 Ų | 65.9 | 49% | 0.487 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.7 | -38.4 | -179.7 | -74.9 | -17.8 | 0 | 0 | 0 | 111.9 | R306 N307 K313 M314 | R306-D310 WeakPolarHBondContact O-CB 3.41Å; R306-D310 PolarHBondContact O-N 3.43Å; N307-D310 PolarHBondContact O-N 3.4Å; D310-K313 PolarHBondContact O-N 3.29Å; D310-M314 VanDerWaalsContact O-CB 3.29Å; D310-M314 WeakPolarHBondContact O-CB 3.27Å; D310-M314 PolarHBondContact O-N 3.03Å |
| 311 | Q | 97.4 | Very high | 96.5 | Very high | 118 Ų | 118 | 66.6 Ų | 66.6 | 55% | 0.551 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -63.3 | -45.6 | 173.2 | -74.1 | 174 | 14.6 | 0 | 0 | 112 | N307 C308 I309 K313 M314 L315 | N307-Q311 WeakPolarHBondContact O-CB 3.49Å; N307-Q311 VanDerWaalsContact O-CG 3.23Å; N307-Q311 WeakPolarHBondContact O-CG 3.44Å; N307-Q311 PolarHBondContact O-N 2.97Å; C308-Q311 PolarHBondContact O-N 3.09Å; I309-Q311 VanDerWaalsContact C-N 3.33Å; I309-Q311 PolarHBondContact O-N 2.96Å; Q311-K313 PolarHBondContact O-N 3.41Å; Q311-M314 PolarHBondContact O-N 3.08Å; Q311-L315 WeakPolarHBondContact O-CG 3.27Å; Q311-L315 PolarHBondContact O-N 3.45Å |
| 312 | A | 96.5 | Very high | 96.4 | Very high | 10 Ų | 10 | 70.5 Ų | 70.5 | 8% | 0.083 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | C308 I309 M314 L315 N316 L372 | C308-A312 PolarHBondContact O-N 2.9Å; I309-A312 PolarHBondContact O-N 2.98Å; A312-M314 PolarHBondContact O-N 2.8Å; A312-L315 PolarHBondContact O-N 2.97Å; A312-N316 WeakPolarHBondContact O-CB 3.43Å; A312-N316 PolarHBondContact O-N 3.29Å; A312-L372 HydrophobicContact CB-CD1 3.8Å |
| 313 | K | 95.5 | Very high | 96.4 | Very high | 55 Ų | 55 | 72.4 Ų | 72.4 | 24% | 0.239 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 174.5 | -72.2 | 170.8 | -179.6 | 168.1 | 0 | 112 | I309 D310 Q311 N316 A317 E491 | I309-K313 HydrophobicContact CG2-CD 3.96Å; I309-K313 HydrophobicContact CG2-CG 4.45Å; I309-K313 WeakPolarHBondContact O-CG 3.26Å; I309-K313 PolarHBondContact O-N 2.88Å; D310-K313 PolarHBondContact O-N 3.29Å; Q311-K313 PolarHBondContact O-N 3.41Å; K313-N316 PolarHBondContact O-N 3.47Å; K313-A317 WeakPolarHBondContact O-CB 3.47Å; K313-A317 PolarHBondContact O-N 3.38Å; K313-E491 WeakPolarHBondContact CE-OE2 3.42Å; K313-E491 VanDerWaalsContact NZ-CD 3.35Å; K313-E491 IonicContact NZ-OE1 3.78Å; K313-E491 PolarHBondContact NZ-OE1 3.13Å; K313-E491 IonicContact NZ-OE2 3.84Å; K313-E491 PolarHBondContact NZ-OE2 3.37Å |
| 314 | M | 96.7 | Very high | 96.4 | Very high | 100 Ų | 100 | 68.6 Ų | 68.6 | 49% | 0.493 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.4 | -48.4 | 179.8 | -173.6 | -170.9 | 71.5 | 0 | 0 | 111.3 | D310 Q311 A312 N316 A317 E318 | D310-M314 VanDerWaalsContact O-CB 3.29Å; D310-M314 WeakPolarHBondContact O-CB 3.27Å; D310-M314 PolarHBondContact O-N 3.03Å; Q311-M314 PolarHBondContact O-N 3.08Å; A312-M314 PolarHBondContact O-N 2.8Å; M314-N316 PolarHBondContact O-N 2.94Å; M314-A317 WeakPolarHBondContact O-CB 3.25Å; M314-A317 PolarHBondContact O-N 3.48Å; M314-E318 WeakPolarHBondContact O-CG 3.22Å; M314-E318 PolarHBondContact O-N 2.98Å |
| 315 | L | 96.9 | Very high | 96.4 | Very high | 94 Ų | 94 | 70.3 Ų | 70.3 | 49% | 0.492 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 178.6 | -69.9 | 172.2 | 0 | 0 | 0 | 111.8 | Q311 A312 A317 E318 L319 | Q311-L315 WeakPolarHBondContact O-CG 3.27Å; Q311-L315 PolarHBondContact O-N 3.45Å; A312-L315 PolarHBondContact O-N 2.97Å; L315-A317 VanDerWaalsContact C-N 3.33Å; L315-A317 PolarHBondContact O-N 2.88Å; L315-E318 PolarHBondContact O-N 3.3Å; L315-L319 WeakPolarHBondContact O-CG 3.33Å; L315-L319 PolarHBondContact O-N 2.94Å |
| 316 | N | 95.8 | Very high | 96.3 | Very high | 15 Ų | 15 | 74 Ų | 74 | 8% | 0.08 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.8 | -41.5 | 174.7 | -179.7 | -80.8 | 0 | 0 | 0 | 112.2 | A312 K313 M314 E318 L319 S320 N368 L372 | A312-N316 WeakPolarHBondContact O-CB 3.43Å; A312-N316 PolarHBondContact O-N 3.29Å; K313-N316 PolarHBondContact O-N 3.47Å; M314-N316 PolarHBondContact O-N 2.94Å; N316-E318 PolarHBondContact O-N 3.17Å; N316-L319 PolarHBondContact O-N 3.33Å; N316-S320 WeakPolarHBondContact O-CB 3Å; N316-S320 PolarHBondContact O-N 3.49Å; N316-S320 PolarHBondContact O-OG 3.41Å; N316-N368 VanDerWaalsContact ND2-C 3.27Å; N316-N368 PolarHBondContact ND2-O 3.35Å; N316-L372 HydrophobicContact CB-CB 4.35Å; N316-L372 HydrophobicContact CB-CD1 4.28Å; N316-L372 HydrophobicContact CB-CD2 3.78Å; N316-L372 HydrophobicContact CB-CG 4.35Å |
| 317 | A | 94.8 | Very high | 96.4 | Very high | 33 Ų | 33 | 67.1 Ų | 67.1 | 27% | 0.273 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.7 | -40.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | K313 M314 L315 S320 K321 | K313-A317 WeakPolarHBondContact O-CB 3.47Å; K313-A317 PolarHBondContact O-N 3.38Å; M314-A317 WeakPolarHBondContact O-CB 3.25Å; M314-A317 PolarHBondContact O-N 3.48Å; L315-A317 VanDerWaalsContact C-N 3.33Å; L315-A317 PolarHBondContact O-N 2.88Å; A317-S320 PolarHBondContact O-N 3.08Å; A317-K321 WeakPolarHBondContact O-CB 3.4Å; A317-K321 VanDerWaalsContact O-CG 3.22Å; A317-K321 WeakPolarHBondContact O-CG 3.41Å; A317-K321 PolarHBondContact O-N 3.47Å |
| 318 | E | 96.9 | Very high | 96.3 | Very high | 107 Ų | 107 | 66.7 Ų | 66.7 | 50% | 0.5 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.1 | -45.1 | 175.2 | -72.4 | -178.6 | 165.5 | 0 | 0 | 112.4 | M314 L315 N316 S320 K321 K322 | M314-E318 WeakPolarHBondContact O-CG 3.22Å; M314-E318 PolarHBondContact O-N 2.98Å; L315-E318 PolarHBondContact O-N 3.3Å; N316-E318 PolarHBondContact O-N 3.17Å; E318-S320 PolarHBondContact O-N 2.93Å; E318-K321 PolarHBondContact O-N 2.92Å; E318-K322 WeakPolarHBondContact O-CB 3.3Å; E318-K322 PolarHBondContact O-N 2.92Å |
| 319 | L | 95.8 | Very high | 96.3 | Very high | 100 Ų | 100 | 70.6 Ų | 70.6 | 52% | 0.524 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60 | -45.8 | 175.1 | -71.3 | 173.4 | 0 | 0 | 0 | 111.5 | L315 N316 K322 K323 | L315-L319 WeakPolarHBondContact O-CG 3.33Å; L315-L319 PolarHBondContact O-N 2.94Å; N316-L319 PolarHBondContact O-N 3.33Å; L319-K322 PolarHBondContact O-N 2.97Å; L319-K323 WeakPolarHBondContact O-CG 3.46Å; L319-K323 PolarHBondContact O-N 2.86Å; L319-K323 VanDerWaalsContact O-N 3.13Å |
| 320 | S | 95.2 | Very high | 96.4 | Very high | 2 Ų | 2 | 73.3 Ų | 73.3 | 1% | 0.014 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.1 | -46 | 178.4 | -60.8 | 0 | 0 | 0 | 0 | 111.7 | N316 A317 E318 K322 K323 I324 | N316-S320 WeakPolarHBondContact O-CB 3Å; N316-S320 PolarHBondContact O-N 3.49Å; N316-S320 PolarHBondContact O-OG 3.41Å; A317-S320 PolarHBondContact O-N 3.08Å; E318-S320 PolarHBondContact O-N 2.93Å; S320-K322 VanDerWaalsContact C-N 3.33Å; S320-K322 PolarHBondContact O-N 3.32Å; S320-K323 PolarHBondContact O-N 2.9Å; S320-I324 VanDerWaalsContact O-CG1 3.3Å; S320-I324 WeakPolarHBondContact O-CG1 3.3Å; S320-I324 PolarHBondContact O-N 3.13Å |
| 321 | K | 95.8 | Very high | 96.3 | Very high | 134 Ų | 134 | 69.2 Ų | 69.2 | 58% | 0.583 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -59.5 | -42.9 | 176.6 | -77.8 | 171.8 | -177.5 | 175.7 | 0 | 111.9 | A317 E318 I324 N325 | A317-K321 WeakPolarHBondContact O-CB 3.4Å; A317-K321 VanDerWaalsContact O-CG 3.22Å; A317-K321 WeakPolarHBondContact O-CG 3.41Å; A317-K321 PolarHBondContact O-N 3.47Å; E318-K321 PolarHBondContact O-N 2.92Å; K321-I324 PolarHBondContact O-N 3.32Å; K321-N325 WeakPolarHBondContact O-CB 3.41Å; K321-N325 PolarHBondContact O-N 3.46Å; K321-N325 PolarHBondContact O-ND2 2.74Å |
| 322 | K | 97 | Very high | 96.2 | Very high | 128 Ų | 128 | 68.7 Ų | 68.7 | 56% | 0.557 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -58.8 | -48.5 | 176.8 | -178.1 | 178.6 | 173.2 | -178.5 | 0 | 111.2 | E318 L319 S320 N325 E326 | E318-K322 WeakPolarHBondContact O-CB 3.3Å; E318-K322 PolarHBondContact O-N 2.92Å; L319-K322 PolarHBondContact O-N 2.97Å; S320-K322 VanDerWaalsContact C-N 3.33Å; S320-K322 PolarHBondContact O-N 3.32Å; K322-N325 PolarHBondContact O-N 3.07Å; K322-E326 WeakPolarHBondContact CE-OE1 3.38Å; K322-E326 WeakPolarHBondContact O-CG 3.18Å; K322-E326 PolarHBondContact O-N 2.92Å |
| 323 | K | 95.7 | Very high | 96.2 | Very high | 59 Ų | 59 | 74.2 Ų | 74.2 | 26% | 0.257 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 178.3 | -69.5 | -54.4 | -161 | 147.7 | 0 | 113.2 | L319 S320 N325 E326 F327 L361 E364 | L319-K323 WeakPolarHBondContact O-CG 3.46Å; L319-K323 PolarHBondContact O-N 2.86Å; L319-K323 VanDerWaalsContact O-N 3.13Å; S320-K323 PolarHBondContact O-N 2.9Å; K323-N325 PolarHBondContact O-N 3.19Å; K323-E326 PolarHBondContact O-N 3.06Å; K323-F327 WeakPolarHBondContact O-CB 3.33Å; K323-F327 PolarHBondContact O-N 2.9Å; K323-L361 HydrophobicContact CB-CD1 4.04Å; K323-E364 WeakPolarHBondContact CD-OE2 3.45Å; K323-E364 WeakPolarHBondContact CE-OE2 3.4Å; K323-E364 IonicContact NZ-OE1 2.79Å; K323-E364 PolarHBondContact NZ-OE1 2.8Å; K323-E364 IonicContact NZ-OE2 2.79Å; K323-E364 PolarHBondContact NZ-OE2 2.97Å |
| 324 | I | 96.8 | Very high | 96.1 | Very high | 37 Ų | 37 | 72.3 Ų | 72.3 | 19% | 0.19 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 176.2 | -69.7 | 167.3 | 0 | 0 | 0 | 110.9 | S320 K321 F327 K328 L365 F506 | S320-I324 VanDerWaalsContact O-CG1 3.3Å; S320-I324 WeakPolarHBondContact O-CG1 3.3Å; S320-I324 PolarHBondContact O-N 3.13Å; K321-I324 PolarHBondContact O-N 3.32Å; I324-F327 PolarHBondContact O-N 3.16Å; I324-K328 HydrophobicContact CG2-CG 4.33Å; I324-K328 WeakPolarHBondContact O-CB 3.46Å; I324-K328 WeakPolarHBondContact O-CG 3.3Å; I324-K328 PolarHBondContact O-N 3.26Å; I324-L365 HydrophobicContact CD1-CD1 4.42Å; I324-L365 HydrophobicContact CD1-CD2 4.41Å; I324-L365 HydrophobicContact CG1-CD1 4.3Å; I324-L365 HydrophobicContact CG1-CD2 4.32Å; I324-F506 HydrophobicContact CD1-CE1 4.22Å; I324-F506 HydrophobicContact CG1-CE1 3.93Å; I324-F506 HydrophobicContact CG1-CZ 4.23Å; I324-F506 HydrophobicContact CG2-CE1 4.29Å; I324-F506 HydrophobicContact CG2-CE2 4.45Å; I324-F506 HydrophobicContact CG2-CZ 3.72Å |
| 325 | N | 97 | Very high | 96 | Very high | 99 Ų | 99 | 69 Ų | 69 | 53% | 0.529 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.4 | -41.8 | 178.6 | -71.5 | -19.4 | 0 | 0 | 0 | 112.3 | K321 K322 K323 F327 K328 L329 | K321-N325 WeakPolarHBondContact O-CB 3.41Å; K321-N325 PolarHBondContact O-N 3.46Å; K321-N325 PolarHBondContact O-ND2 2.74Å; K322-N325 PolarHBondContact O-N 3.07Å; K323-N325 PolarHBondContact O-N 3.19Å; N325-F327 VanDerWaalsContact C-N 3.3Å; N325-F327 PolarHBondContact O-N 3.42Å; N325-K328 PolarHBondContact O-N 3Å; N325-L329 WeakPolarHBondContact O-CG 3.26Å; N325-L329 PolarHBondContact O-N 2.92Å; N325-L329 VanDerWaalsContact O-N 3.08Å |
| 326 | E | 97 | Very high | 95.9 | Very high | 89 Ų | 89 | 70.5 Ų | 70.5 | 42% | 0.416 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -57.9 | -44.8 | 173.1 | -74.7 | 170.7 | -175.1 | 0 | 0 | 110.8 | K322 K323 Y330 | K322-E326 WeakPolarHBondContact CE-OE1 3.38Å; K322-E326 WeakPolarHBondContact O-CG 3.18Å; K322-E326 PolarHBondContact O-N 2.92Å; K323-E326 PolarHBondContact O-N 3.06Å; E326-Y330 PolarHBondContact O-N 3.21Å |
| 327 | F | 97.5 | Very high | 95.7 | Very high | 14 Ų | 14 | 73.2 Ų | 73.2 | 6% | 0.061 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.8 | -41.9 | 176.4 | -174.1 | -88.1 | 0 | 0 | 0 | 112.7 | K323 I324 N325 L329 Y330 Q331 Y354 N357 V358 L361 L510 | K323-F327 WeakPolarHBondContact O-CB 3.33Å; K323-F327 PolarHBondContact O-N 2.9Å; I324-F327 PolarHBondContact O-N 3.16Å; N325-F327 VanDerWaalsContact C-N 3.3Å; N325-F327 PolarHBondContact O-N 3.42Å; F327-L329 VanDerWaalsContact C-N 3.33Å; F327-L329 PolarHBondContact O-N 2.86Å; F327-Y330 HydrophobicContact CD2-CD1 4.19Å; F327-Y330 AromaticContact CE2-CD1 3.99Å; F327-Y330 HydrophobicContact CE2-CD1 3.99Å; F327-Y330 HydrophobicContact CE2-CE1 4.17Å; F327-Y330 HydrophobicContact CZ-CD1 4.38Å; F327-Y330 CarbonylContact O-C 3.55Å; F327-Y330 WeakPolarHBondContact O-CA 3.48Å; F327-Y330 WeakPolarHBondContact O-CB 3.14Å; F327-Y330 PolarHBondContact O-N 2.89Å; F327-Y330 VanDerWaalsContact O-N 3.1Å; F327-Q331 HydrophobicContact CD1-CB 4.43Å; F327-Q331 HydrophobicContact CE1-CB 4.12Å; F327-Q331 WeakPolarHBondContact O-CB 2.93Å; F327-Q331 PolarHBondContact O-N 2.97Å; F327-Y354 HydrophobicContact CE1-CE2 4.16Å; F327-Y354 HydrophobicContact CZ-CD2 4.42Å; F327-Y354 AromaticContact CZ-CE2 3.72Å; F327-Y354 HydrophobicContact CZ-CE2 3.72Å; F327-Y354 AromaticContact CZ-CZ 3.93Å; F327-N357 HydrophobicContact CE2-CB 4.04Å; F327-V358 HydrophobicContact CE1-CG2 4.36Å; F327-V358 HydrophobicContact CE2-CG2 4.07Å; F327-V358 HydrophobicContact CZ-CB 4.41Å; F327-V358 HydrophobicContact CZ-CG2 3.46Å; F327-V358 VanDerWaalsContact CZ-CG2 3.46Å; F327-L361 HydrophobicContact CB-CD1 4.36Å; F327-L361 HydrophobicContact CB-CD2 3.8Å; F327-L361 HydrophobicContact CD1-CD2 3.93Å; F327-L361 HydrophobicContact CD2-CB 4.15Å; F327-L361 HydrophobicContact CD2-CD2 3.96Å; F327-L361 HydrophobicContact CG-CD2 3.6Å; F327-L510 HydrophobicContact CD1-CD1 3.9Å; F327-L510 HydrophobicContact CD1-CD2 4.47Å; F327-L510 HydrophobicContact CE1-CD1 3.61Å; F327-L510 HydrophobicContact CE1-CD2 4.03Å; F327-L510 HydrophobicContact CE1-CG 4.32Å; F327-L510 HydrophobicContact CZ-CD1 4.29Å |
| 328 | K | 95.9 | Very high | 95.5 | Very high | 69 Ų | 69 | 71.6 Ų | 71.6 | 30% | 0.3 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.9 | -40.1 | 179 | -76.5 | -73.1 | 173.2 | -167.4 | 0 | 112.1 | I324 N325 Y330 Q331 D332 L510 D513 | I324-K328 HydrophobicContact CG2-CG 4.33Å; I324-K328 WeakPolarHBondContact O-CB 3.46Å; I324-K328 WeakPolarHBondContact O-CG 3.3Å; I324-K328 PolarHBondContact O-N 3.26Å; N325-K328 PolarHBondContact O-N 3Å; K328-Y330 VanDerWaalsContact C-N 3.33Å; K328-Y330 PolarHBondContact O-N 2.95Å; K328-Q331 WeakPolarHBondContact O-CB 3.31Å; K328-Q331 PolarHBondContact O-N 2.63Å; K328-D332 PolarHBondContact O-N 2.95Å; K328-L510 VanDerWaalsContact NZ-CD2 3.29Å; K328-D513 IonicContact NZ-OD2 3.94Å |
| 329 | L | 96.7 | Very high | 95.2 | Very high | 127 Ų | 127 | 70.5 Ų | 70.5 | 67% | 0.665 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -63.9 | -37.5 | 173.1 | -68.6 | 172.7 | 0 | 0 | 0 | 112.5 | N325 F327 K333 | N325-L329 WeakPolarHBondContact O-CG 3.26Å; N325-L329 PolarHBondContact O-N 2.92Å; N325-L329 VanDerWaalsContact O-N 3.08Å; F327-L329 VanDerWaalsContact C-N 3.33Å; F327-L329 PolarHBondContact O-N 2.86Å; L329-K333 PolarHBondContact O-N 2.97Å |
| 330 | Y | 97 | Very high | 95 | Very high | 58 Ų | 58 | 72.2 Ų | 72.2 | 23% | 0.227 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.2 | -44.6 | 172.6 | 163.1 | -100 | 0 | 0 | 0 | 111.8 | E326 F327 K328 D332 K333 I334 Y354 N357 | E326-Y330 PolarHBondContact O-N 3.21Å; F327-Y330 HydrophobicContact CD2-CD1 4.19Å; F327-Y330 AromaticContact CE2-CD1 3.99Å; F327-Y330 HydrophobicContact CE2-CD1 3.99Å; F327-Y330 HydrophobicContact CE2-CE1 4.17Å; F327-Y330 HydrophobicContact CZ-CD1 4.38Å; F327-Y330 CarbonylContact O-C 3.55Å; F327-Y330 WeakPolarHBondContact O-CA 3.48Å; F327-Y330 WeakPolarHBondContact O-CB 3.14Å; F327-Y330 PolarHBondContact O-N 2.89Å; F327-Y330 VanDerWaalsContact O-N 3.1Å; K328-Y330 VanDerWaalsContact C-N 3.33Å; K328-Y330 PolarHBondContact O-N 2.95Å; Y330-D332 PolarHBondContact O-N 3.25Å; Y330-K333 WeakPolarHBondContact O-CB 3.36Å; Y330-K333 PolarHBondContact O-N 3.42Å; Y330-I334 HydrophobicContact CD2-CG1 3.84Å; Y330-I334 HydrophobicContact CE1-CG1 4.1Å; Y330-I334 HydrophobicContact CE2-CD1 3.77Å; Y330-I334 HydrophobicContact CE2-CG1 3.29Å; Y330-I334 HydrophobicContact CG-CG1 4.44Å; Y330-I334 VanDerWaalsContact CZ-CG1 3.44Å; Y330-I334 PolarHBondContact O-N 3.01Å; Y330-Y354 AromaticContact CE1-CD2 3.94Å; Y330-Y354 HydrophobicContact CE1-CD2 3.94Å; Y330-N357 HydrophobicContact CE1-CB 3.75Å; Y330-N357 PolarHBondContact OH-ND2 2.93Å |
| 331 | Q | 95.7 | Very high | 94.5 | Very high | 5 Ų | 5 | 73.3 Ų | 73.3 | 2% | 0.023 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57.1 | -50.2 | 177.7 | 179.7 | 176.9 | 22.3 | 0 | 0 | 111 | F327 K328 K333 I334 F335 Y354 D513 | F327-Q331 HydrophobicContact CD1-CB 4.43Å; F327-Q331 HydrophobicContact CE1-CB 4.12Å; F327-Q331 WeakPolarHBondContact O-CB 2.93Å; F327-Q331 PolarHBondContact O-N 2.97Å; K328-Q331 WeakPolarHBondContact O-CB 3.31Å; K328-Q331 PolarHBondContact O-N 2.63Å; Q331-K333 PolarHBondContact O-N 2.99Å; Q331-I334 PolarHBondContact O-N 2.84Å; Q331-F335 HydrophobicContact CG-CD1 4.09Å; Q331-F335 HydrophobicContact CG-CD2 4.21Å; Q331-F335 HydrophobicContact CG-CE1 3.9Å; Q331-F335 HydrophobicContact CG-CE2 4.03Å; Q331-F335 HydrophobicContact CG-CG 4.26Å; Q331-F335 HydrophobicContact CG-CZ 3.88Å; Q331-F335 VanDerWaalsContact NE2-CZ 3.35Å; Q331-F335 WeakPolarHBondContact O-CB 3.46Å; Q331-F335 WeakPolarHBondContact O-CD1 3.49Å; Q331-F335 WeakPolarHBondContact O-CG 3.41Å; Q331-F335 PolarHBondContact O-N 2.91Å; Q331-Y354 HydrophobicContact CB-CE2 4.24Å; Q331-Y354 HydrophobicContact CG-CE2 3.98Å; Q331-Y354 PolarHBondContact NE2-OH 2.95Å; Q331-Y354 VanDerWaalsContact NE2-OH 3.13Å; Q331-D513 PolarHBondContact NE2-OD2 3.32Å |
| 332 | D | 95 | Very high | 94 | Very high | 107 Ų | 107 | 73.1 Ų | 73.1 | 57% | 0.572 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -57.9 | -39.2 | 178.8 | -71.2 | -17.4 | 0 | 0 | 0 | 112.1 | K328 Y330 K336 | K328-D332 PolarHBondContact O-N 2.95Å; Y330-D332 PolarHBondContact O-N 3.25Å; D332-K336 WeakPolarHBondContact O-CB 3.08Å; D332-K336 PolarHBondContact O-N 3.22Å |
| 333 | K | 95.2 | Very high | 93.5 | Very high | 127 Ų | 127 | 71 Ų | 71 | 55% | 0.552 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -67.5 | -51.4 | 177.9 | -177 | -170.7 | 166.8 | -163.8 | 0 | 111.4 | L329 Y330 Q331 K336 E337 | L329-K333 PolarHBondContact O-N 2.97Å; Y330-K333 WeakPolarHBondContact O-CB 3.36Å; Y330-K333 PolarHBondContact O-N 3.42Å; Q331-K333 PolarHBondContact O-N 2.99Å; K333-K336 PolarHBondContact O-N 2.74Å; K333-E337 WeakPolarHBondContact CE-OE1 3.48Å; K333-E337 IonicContact NZ-OE1 3.81Å; K333-E337 WeakPolarHBondContact O-CG 3.39Å; K333-E337 PolarHBondContact O-N 2.8Å; K333-E337 VanDerWaalsContact O-N 3.07Å |
| 334 | I | 94.7 | Very high | 93.1 | Very high | 14 Ų | 14 | 70.5 Ų | 70.5 | 7% | 0.072 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.7 | -41.9 | -178.4 | -71.1 | -64.5 | 0 | 0 | 0 | 111.2 | Y330 Q331 K336 E337 L338 Y354 | Y330-I334 HydrophobicContact CD2-CG1 3.84Å; Y330-I334 HydrophobicContact CE1-CG1 4.1Å; Y330-I334 HydrophobicContact CE2-CD1 3.77Å; Y330-I334 HydrophobicContact CE2-CG1 3.29Å; Y330-I334 HydrophobicContact CG-CG1 4.44Å; Y330-I334 VanDerWaalsContact CZ-CG1 3.44Å; Y330-I334 PolarHBondContact O-N 3.01Å; Q331-I334 PolarHBondContact O-N 2.84Å; I334-K336 VanDerWaalsContact C-N 3.26Å; I334-K336 PolarHBondContact O-N 3.41Å; I334-E337 CarbonylContact O-C 3.59Å; I334-E337 PolarHBondContact O-N 3.09Å; I334-L338 HydrophobicContact CG2-CD1 3.74Å; I334-L338 HydrophobicContact CG2-CG 4.01Å; I334-L338 WeakPolarHBondContact O-CG 3.48Å; I334-L338 PolarHBondContact O-N 3.01Å; I334-Y354 HydrophobicContact CG2-CD2 4.26Å |
| 335 | F | 94.6 | Very high | 92.7 | Very high | 32 Ų | 32 | 74.4 Ų | 74.4 | 14% | 0.14 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.1 | -38.2 | 179.3 | -79.8 | 19.9 | 0 | 0 | 0 | 111.3 | Q331 L338 L339 Y354 D513 V514 L517 | Q331-F335 HydrophobicContact CG-CD1 4.09Å; Q331-F335 HydrophobicContact CG-CD2 4.21Å; Q331-F335 HydrophobicContact CG-CE1 3.9Å; Q331-F335 HydrophobicContact CG-CE2 4.03Å; Q331-F335 HydrophobicContact CG-CG 4.26Å; Q331-F335 HydrophobicContact CG-CZ 3.88Å; Q331-F335 VanDerWaalsContact NE2-CZ 3.35Å; Q331-F335 WeakPolarHBondContact O-CB 3.46Å; Q331-F335 WeakPolarHBondContact O-CD1 3.49Å; Q331-F335 WeakPolarHBondContact O-CG 3.41Å; Q331-F335 PolarHBondContact O-N 2.91Å; F335-L338 HydrophobicContact CD1-CD1 4.32Å; F335-L339 VanDerWaalsContact O-CG 3.23Å; F335-L339 WeakPolarHBondContact O-CG 3.46Å; F335-L339 PolarHBondContact O-N 3.32Å; F335-L339 VanDerWaalsContact O-N 3.1Å; F335-Y354 HydrophobicContact CD1-CE2 4.43Å; F335-Y354 HydrophobicContact CE1-CD2 4.15Å; F335-Y354 HydrophobicContact CE1-CE1 4.4Å; F335-Y354 AromaticContact CE1-CE2 3.66Å; F335-Y354 HydrophobicContact CE1-CE2 3.66Å; F335-Y354 AromaticContact CE1-CZ 3.8Å; F335-Y354 HydrophobicContact CZ-CE2 4.35Å; F335-D513 HydrophobicContact CE2-CB 4.04Å; F335-D513 HydrophobicContact CZ-CB 3.89Å; F335-V514 HydrophobicContact CE1-CB 4.09Å; F335-V514 HydrophobicContact CE1-CG2 4.25Å; F335-V514 HydrophobicContact CZ-CB 4.1Å; F335-L517 HydrophobicContact CB-CD2 4.22Å; F335-L517 HydrophobicContact CD1-CD2 4.04Å; F335-L517 HydrophobicContact CD2-CD1 4.15Å; F335-L517 HydrophobicContact CD2-CD2 4.16Å; F335-L517 HydrophobicContact CE1-CD2 4.39Å; F335-L517 HydrophobicContact CE2-CD1 4.49Å; F335-L517 HydrophobicContact CG-CD2 3.9Å |
| 336 | K | 93 | Very high | 92.4 | Very high | 125 Ų | 125 | 74.4 Ų | 74.4 | 54% | 0.543 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 172.3 | -173.7 | 179.4 | 175.8 | -177 | 0 | 112.2 | D332 K333 I334 L339 E340 | D332-K336 WeakPolarHBondContact O-CB 3.08Å; D332-K336 PolarHBondContact O-N 3.22Å; K333-K336 PolarHBondContact O-N 2.74Å; I334-K336 VanDerWaalsContact C-N 3.26Å; I334-K336 PolarHBondContact O-N 3.41Å; K336-L339 PolarHBondContact O-N 2.95Å; K336-E340 WeakPolarHBondContact CE-OE1 3.43Å; K336-E340 IonicContact NZ-OE1 3.96Å; K336-E340 WeakPolarHBondContact O-CG 3.41Å; K336-E340 PolarHBondContact O-N 3.21Å; K336-E340 VanDerWaalsContact O-N 3.16Å |
| 337 | E | 92.2 | Very high | 92.1 | Very high | 71 Ų | 71 | 70.1 Ų | 70.1 | 33% | 0.332 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 177.9 | -71.6 | 175.1 | -179.5 | 0 | 0 | 111.7 | K333 I334 L339 E340 N341 | K333-E337 WeakPolarHBondContact CE-OE1 3.48Å; K333-E337 IonicContact NZ-OE1 3.81Å; K333-E337 WeakPolarHBondContact O-CG 3.39Å; K333-E337 PolarHBondContact O-N 2.8Å; K333-E337 VanDerWaalsContact O-N 3.07Å; I334-E337 CarbonylContact O-C 3.59Å; I334-E337 PolarHBondContact O-N 3.09Å; E337-L339 VanDerWaalsContact C-N 3.34Å; E337-L339 PolarHBondContact O-N 2.82Å; E337-E340 PolarHBondContact O-N 3.32Å; E337-N341 WeakPolarHBondContact O-CB 3.46Å; E337-N341 PolarHBondContact O-N 2.96Å |
| 338 | L | 91.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.4 | -40.8 | 176.3 | -71 | 172.5 | 0 | 0 | 0 | 112.3 | I334 F335 V347 D350 I351 V514 L517 I519 | I334-L338 HydrophobicContact CG2-CD1 3.74Å; I334-L338 HydrophobicContact CG2-CG 4.01Å; I334-L338 WeakPolarHBondContact O-CG 3.48Å; I334-L338 PolarHBondContact O-N 3.01Å; F335-L338 HydrophobicContact CD1-CD1 4.32Å; L338-V347 HydrophobicContact CD2-CB 4.49Å; L338-V347 HydrophobicContact CD2-CG1 4Å; L338-V347 HydrophobicContact CD2-CG2 4.45Å; L338-D350 HydrophobicContact CD2-CB 3.69Å; L338-I351 HydrophobicContact CD1-CG1 4.34Å; L338-I351 HydrophobicContact CD2-CG1 3.99Å; L338-V514 HydrophobicContact CD1-CG2 4.42Å; L338-L517 HydrophobicContact CB-CD2 4.23Å; L338-L517 HydrophobicContact CD1-CD2 4Å; L338-I519 HydrophobicContact CB-CD1 4.37Å; L338-I519 HydrophobicContact CB-CG1 4.39Å; L338-I519 HydrophobicContact CD1-CD1 4.18Å; L338-I519 HydrophobicContact CD2-CD1 4.48Å |
| 339 | L | 90.4 | Very high | 91.6 | Very high | 84 Ų | 84 | 75.4 Ų | 75.4 | 44% | 0.44 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -72.1 | -27.4 | 178.5 | -69.4 | 170.7 | 0 | 0 | 0 | 113.4 | F335 K336 E337 L517 D518 | F335-L339 VanDerWaalsContact O-CG 3.23Å; F335-L339 WeakPolarHBondContact O-CG 3.46Å; F335-L339 PolarHBondContact O-N 3.32Å; F335-L339 VanDerWaalsContact O-N 3.1Å; K336-L339 PolarHBondContact O-N 2.95Å; E337-L339 VanDerWaalsContact C-N 3.34Å; E337-L339 PolarHBondContact O-N 2.82Å; L339-L517 HydrophobicContact CD1-CD1 4.5Å; L339-L517 HydrophobicContact CD2-CD1 4.33Å; L339-L517 HydrophobicContact CD2-CG 4.36Å; L339-D518 WeakPolarHBondContact CD2-O 3.31Å |
| 340 | E | 90.4 | Very high | 91.4 | Very high | 135 Ų | 135 | 70.4 Ų | 70.4 | 63% | 0.631 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -93.4 | -19.9 | -178.8 | -70.4 | 177.8 | -177 | 0 | 0 | 113.3 | K336 E337 | K336-E340 WeakPolarHBondContact CE-OE1 3.43Å; K336-E340 IonicContact NZ-OE1 3.96Å; K336-E340 WeakPolarHBondContact O-CG 3.41Å; K336-E340 PolarHBondContact O-N 3.21Å; K336-E340 VanDerWaalsContact O-N 3.16Å; E337-E340 PolarHBondContact O-N 3.32Å |
| 341 | N | 84.9 | Confident | 91.2 | Very high | 26 Ų | 26 | 69.2 Ų | 69.2 | 14% | 0.139 | 35% | 0.348 | C | S | . | . | trans | -80.3 | 140.7 | -176 | -162.9 | -1.1 | 0 | 0 | 0 | 111.4 | E337 D343 K346 V347 A521 | E337-N341 WeakPolarHBondContact O-CB 3.46Å; E337-N341 PolarHBondContact O-N 2.96Å; N341-D343 PolarHBondContact OD1-N 3.13Å; N341-K346 VanDerWaalsContact ND2-CD 3.31Å; N341-K346 WeakPolarHBondContact ND2-CD 3.34Å; N341-K346 WeakPolarHBondContact ND2-CG 3.32Å; N341-V347 HydrophobicContact CB-CG2 3.78Å; N341-A521 WeakPolarHBondContact O-CB 2.97Å | ||
| 342 | T | 84.8 | Confident | 91.1 | Very high | 130 Ų | 130 | 74 Ų | 74 | 80% | 0.798 | 37% | 0.374 | S | S | * | . | trans | -114.1 | -6.2 | -179.6 | 49 | 0 | 0 | 0 | 0 | 112.8 | S344 | T342-S344 PolarHBondContact O-N 3.15Š| ||
| 343 | D | 88.2 | Confident | 91.1 | Very high | 84 Ų | 84 | 72.9 Ų | 72.9 | 45% | 0.449 | 37% | 0.368 | S | S | . | . | trans | -87 | 104.8 | 176.4 | -174.2 | -13.7 | 0 | 0 | 0 | 109.9 | N341 I345 K346 V347 | N341-D343 PolarHBondContact OD1-N 3.13Å; D343-I345 VanDerWaalsContact C-N 3.29Å; D343-I345 PolarHBondContact O-N 2.78Å; D343-I345 PolarHBondContact OD1-N 3.27Å; D343-I345 VanDerWaalsContact OD1-N 3.13Å; D343-K346 HydrophobicContact CB-CB 4.02Å; D343-K346 PolarHBondContact O-N 2.81Å; D343-V347 WeakPolarHBondContact O-CG2 3.3Å; D343-V347 PolarHBondContact O-N 2.94Å | ||
| 344 | S | 86.6 | Confident | 91.1 | Very high | 48 Ų | 48 | 66.9 Ų | 66.9 | 34% | 0.336 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -57.7 | -36.9 | -178.9 | 162.1 | 0 | 0 | 0 | 0 | 113.1 | T342 V347 E348 | T342-S344 PolarHBondContact O-N 3.15Å; S344-V347 PolarHBondContact O-N 3Å; S344-E348 WeakPolarHBondContact O-CG 3.34Å; S344-E348 PolarHBondContact O-N 2.84Å |
| 345 | I | 88.8 | Confident | 91.1 | Very high | 118 Ų | 118 | 69 Ų | 69 | 61% | 0.605 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -67.3 | -47.1 | -179.7 | -62.6 | 172.9 | 0 | 0 | 0 | 109.5 | D343 V347 E348 D349 | D343-I345 VanDerWaalsContact C-N 3.29Å; D343-I345 PolarHBondContact O-N 2.78Å; D343-I345 PolarHBondContact OD1-N 3.27Å; D343-I345 VanDerWaalsContact OD1-N 3.13Å; I345-V347 VanDerWaalsContact C-N 3.27Å; I345-V347 PolarHBondContact O-N 2.99Å; I345-E348 PolarHBondContact O-N 3.03Å; I345-D349 PolarHBondContact O-N 2.71Å |
| 346 | K | 90 | Very high | 91.2 | Very high | 99 Ų | 99 | 73.1 Ų | 73.1 | 43% | 0.43 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.1 | -36.6 | 178.3 | -175.8 | 177.9 | 167.4 | -148.6 | 0 | 111.7 | N341 D343 D349 D350 | N341-K346 VanDerWaalsContact ND2-CD 3.31Å; N341-K346 WeakPolarHBondContact ND2-CD 3.34Å; N341-K346 WeakPolarHBondContact ND2-CG 3.32Å; D343-K346 HydrophobicContact CB-CB 4.02Å; D343-K346 PolarHBondContact O-N 2.81Å; K346-D349 PolarHBondContact O-N 3.45Å; K346-D350 WeakPolarHBondContact O-CB 3.4Å; K346-D350 PolarHBondContact O-N 2.99Å |
| 347 | V | 90.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.4 | -41 | 176.7 | 164.1 | 0 | 0 | 0 | 0 | 112.1 | L338 N341 D343 S344 I345 D349 D350 I351 I519 A521 L522 | L338-V347 HydrophobicContact CD2-CB 4.49Å; L338-V347 HydrophobicContact CD2-CG1 4Å; L338-V347 HydrophobicContact CD2-CG2 4.45Å; N341-V347 HydrophobicContact CB-CG2 3.78Å; D343-V347 WeakPolarHBondContact O-CG2 3.3Å; D343-V347 PolarHBondContact O-N 2.94Å; S344-V347 PolarHBondContact O-N 3Å; I345-V347 VanDerWaalsContact C-N 3.27Å; I345-V347 PolarHBondContact O-N 2.99Å; V347-D349 VanDerWaalsContact C-N 3.34Å; V347-D350 PolarHBondContact O-N 3.47Å; V347-I351 HydrophobicContact CG1-CD1 4.08Å; V347-I351 VanDerWaalsContact O-CG1 3.31Å; V347-I351 WeakPolarHBondContact O-CG1 3.19Å; V347-I351 PolarHBondContact O-N 3.39Å; V347-I519 HydrophobicContact CG1-CG2 3.6Å; V347-A521 HydrophobicContact CB-CB 4.29Å; V347-A521 HydrophobicContact CG1-CB 4.49Å; V347-A521 HydrophobicContact CG2-CB 3.8Å; V347-L522 HydrophobicContact CG1-CD1 3.8Å; V347-L522 HydrophobicContact CG1-CD2 4.14Å; V347-L522 HydrophobicContact CG1-CG 3.66Å |
| 348 | E | 91.1 | Very high | 91.6 | Very high | 107 Ų | 107 | 66.1 Ų | 66.1 | 50% | 0.5 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.7 | -44.3 | 172.9 | -73.2 | 179.8 | 179.4 | 0 | 0 | 111.3 | S344 I345 I351 L352 L522 | S344-E348 WeakPolarHBondContact O-CG 3.34Å; S344-E348 PolarHBondContact O-N 2.84Å; I345-E348 PolarHBondContact O-N 3.03Å; E348-I351 PolarHBondContact O-N 3.49Å; E348-L352 WeakPolarHBondContact O-CG 3.22Å; E348-L352 PolarHBondContact O-N 3.33Å; E348-L522 HydrophobicContact CG-CD2 3.91Å |
| 349 | D | 92.3 | Very high | 91.9 | Very high | 87 Ų | 87 | 69.3 Ų | 69.3 | 47% | 0.465 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.5 | -45.9 | 174.9 | -70.5 | -23.4 | 0 | 0 | 0 | 111.5 | I345 K346 V347 I351 L352 D353 | I345-D349 PolarHBondContact O-N 2.71Å; K346-D349 PolarHBondContact O-N 3.45Å; V347-D349 VanDerWaalsContact C-N 3.34Å; D349-I351 VanDerWaalsContact C-N 3.32Å; D349-I351 PolarHBondContact O-N 2.96Å; D349-L352 WeakPolarHBondContact O-CB 3.42Å; D349-L352 PolarHBondContact O-N 3.4Å; D349-D353 PolarHBondContact O-N 3.47Å |
| 350 | D | 92.5 | Very high | 92.2 | Very high | 22 Ų | 22 | 70.2 Ų | 70.2 | 12% | 0.118 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.5 | -34.3 | 179.2 | -70.2 | -28.5 | 0 | 0 | 0 | 112 | L338 K346 V347 Y354 | L338-D350 HydrophobicContact CD2-CB 3.69Å; K346-D350 WeakPolarHBondContact O-CB 3.4Å; K346-D350 PolarHBondContact O-N 2.99Å; V347-D350 PolarHBondContact O-N 3.47Å; D350-Y354 WeakPolarHBondContact O-CB 3.49Å; D350-Y354 PolarHBondContact O-N 2.96Å |
| 351 | I | 93.1 | Very high | 92.6 | Very high | 33 Ų | 33 | 64 Ų | 64 | 17% | 0.169 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -71.2 | -40.5 | 174.7 | -69.9 | 168.2 | 0 | 0 | 0 | 111.4 | L338 V347 E348 D349 D353 Y354 N355 V514 I519 L522 | L338-I351 HydrophobicContact CD1-CG1 4.34Å; L338-I351 HydrophobicContact CD2-CG1 3.99Å; V347-I351 HydrophobicContact CG1-CD1 4.08Å; V347-I351 VanDerWaalsContact O-CG1 3.31Å; V347-I351 WeakPolarHBondContact O-CG1 3.19Å; V347-I351 PolarHBondContact O-N 3.39Å; E348-I351 PolarHBondContact O-N 3.49Å; D349-I351 VanDerWaalsContact C-N 3.32Å; D349-I351 PolarHBondContact O-N 2.96Å; I351-D353 VanDerWaalsContact C-N 3.35Å; I351-Y354 PolarHBondContact O-N 3.46Å; I351-N355 WeakPolarHBondContact O-CB 3.27Å; I351-N355 PolarHBondContact O-N 2.95Å; I351-N355 PolarHBondContact O-ND2 3.35Å; I351-N355 VanDerWaalsContact O-ND2 3.12Å; I351-V514 HydrophobicContact CG1-CG2 4.37Å; I351-I519 HydrophobicContact CD1-CD1 3.66Å; I351-I519 HydrophobicContact CG1-CD1 4.21Å; I351-L522 HydrophobicContact CD1-CD1 3.4Å; I351-L522 VanDerWaalsContact CD1-CD1 3.4Å |
| 352 | L | 93.7 | Very high | 93.2 | Very high | 106 Ų | 106 | 66.1 Ų | 66.1 | 56% | 0.555 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -60.5 | -47.9 | 173.8 | -71.5 | 172.1 | 0 | 0 | 0 | 110.1 | E348 D349 Y354 N355 E356 | E348-L352 WeakPolarHBondContact O-CG 3.22Å; E348-L352 PolarHBondContact O-N 3.33Å; D349-L352 WeakPolarHBondContact O-CB 3.42Å; D349-L352 PolarHBondContact O-N 3.4Å; L352-Y354 VanDerWaalsContact C-N 3.33Å; L352-Y354 PolarHBondContact O-N 2.91Å; L352-N355 PolarHBondContact O-N 3.47Å; L352-E356 WeakPolarHBondContact O-CG 3.39Å; L352-E356 PolarHBondContact O-N 3.3Å |
| 353 | D | 94 | Very high | 93.8 | Very high | 83 Ų | 83 | 63.8 Ų | 63.8 | 44% | 0.444 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.3 | -41.5 | 175.6 | -79.9 | -4 | 0 | 0 | 0 | 111.9 | D349 I351 E356 N357 | D349-D353 PolarHBondContact O-N 3.47Å; I351-D353 VanDerWaalsContact C-N 3.35Å; D353-E356 PolarHBondContact O-N 2.76Å; D353-N357 WeakPolarHBondContact O-CB 3.29Å; D353-N357 PolarHBondContact O-N 3.32Å; D353-N357 PolarHBondContact O-ND2 3.39Å |
| 354 | Y | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.5 | -48.9 | 175.1 | 177.5 | -92.8 | 0 | 0 | 0 | 111.6 | F327 Y330 Q331 I334 F335 D350 I351 L352 E356 N357 V358 L510 V514 | F327-Y354 HydrophobicContact CE1-CE2 4.16Å; F327-Y354 HydrophobicContact CZ-CD2 4.42Å; F327-Y354 AromaticContact CZ-CE2 3.72Å; F327-Y354 HydrophobicContact CZ-CE2 3.72Å; F327-Y354 AromaticContact CZ-CZ 3.93Å; Y330-Y354 AromaticContact CE1-CD2 3.94Å; Y330-Y354 HydrophobicContact CE1-CD2 3.94Å; Q331-Y354 HydrophobicContact CB-CE2 4.24Å; Q331-Y354 HydrophobicContact CG-CE2 3.98Å; Q331-Y354 PolarHBondContact NE2-OH 2.95Å; Q331-Y354 VanDerWaalsContact NE2-OH 3.13Å; I334-Y354 HydrophobicContact CG2-CD2 4.26Å; F335-Y354 HydrophobicContact CD1-CE2 4.43Å; F335-Y354 HydrophobicContact CE1-CD2 4.15Å; F335-Y354 HydrophobicContact CE1-CE1 4.4Å; F335-Y354 AromaticContact CE1-CE2 3.66Å; F335-Y354 HydrophobicContact CE1-CE2 3.66Å; F335-Y354 AromaticContact CE1-CZ 3.8Å; F335-Y354 HydrophobicContact CZ-CE2 4.35Å; D350-Y354 WeakPolarHBondContact O-CB 3.49Å; D350-Y354 PolarHBondContact O-N 2.96Å; I351-Y354 PolarHBondContact O-N 3.46Å; L352-Y354 VanDerWaalsContact C-N 3.33Å; L352-Y354 PolarHBondContact O-N 2.91Å; Y354-E356 VanDerWaalsContact C-N 3.32Å; Y354-E356 PolarHBondContact O-N 2.87Å; Y354-N357 CarbonylContact O-C 3.34Å; Y354-N357 PolarHBondContact O-N 3.37Å; Y354-N357 VanDerWaalsContact O-N 3.11Å; Y354-V358 HydrophobicContact CD1-CG2 3.91Å; Y354-V358 HydrophobicContact CE1-CG2 3.43Å; Y354-V358 VanDerWaalsContact CE1-CG2 3.43Å; Y354-V358 HydrophobicContact CE2-CG2 4.4Å; Y354-V358 WeakPolarHBondContact O-CG2 3.47Å; Y354-V358 PolarHBondContact O-N 3.35Å; Y354-L510 PolarHBondContact OH-O 3.35Å; Y354-V514 HydrophobicContact CD1-CB 3.77Å; Y354-V514 HydrophobicContact CD1-CG1 3.65Å; Y354-V514 HydrophobicContact CD1-CG2 3.98Å; Y354-V514 HydrophobicContact CE1-CB 3.57Å; Y354-V514 HydrophobicContact CE1-CG1 3.52Å; Y354-V514 HydrophobicContact CE1-CG2 4.27Å |
| 355 | N | 94.9 | Very high | 94.8 | Very high | 59 Ų | 59 | 60.3 Ų | 60.3 | 32% | 0.316 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.6 | -37.2 | 179.3 | -78.1 | -44.9 | 0 | 0 | 0 | 112.4 | I351 L352 V358 Q359 | I351-N355 WeakPolarHBondContact O-CB 3.27Å; I351-N355 PolarHBondContact O-N 2.95Å; I351-N355 PolarHBondContact O-ND2 3.35Å; I351-N355 VanDerWaalsContact O-ND2 3.12Å; L352-N355 PolarHBondContact O-N 3.47Å; N355-V358 PolarHBondContact O-N 2.88Å; N355-Q359 PolarHBondContact O-N 2.9Å |
| 356 | E | 96.3 | Very high | 95.2 | Very high | 118 Ų | 118 | 57 Ų | 57 | 55% | 0.551 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -62 | -43.6 | 171.5 | -73.4 | -169.7 | 178.1 | 0 | 0 | 111.5 | L352 D353 Y354 Q359 Q360 | L352-E356 WeakPolarHBondContact O-CG 3.39Å; L352-E356 PolarHBondContact O-N 3.3Å; D353-E356 PolarHBondContact O-N 2.76Å; Y354-E356 VanDerWaalsContact C-N 3.32Å; Y354-E356 PolarHBondContact O-N 2.87Å; E356-Q359 PolarHBondContact O-N 3.37Å; E356-Q360 WeakPolarHBondContact O-CG 3.28Å; E356-Q360 PolarHBondContact O-N 3.42Å |
| 357 | N | 96.8 | Very high | 95.6 | Very high | 49 Ų | 49 | 59.3 Ų | 59.3 | 26% | 0.262 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.9 | -36.5 | 176.6 | -76.6 | -58.6 | 0 | 0 | 0 | 112.7 | F327 Y330 D353 Y354 Q359 Q360 L361 | F327-N357 HydrophobicContact CE2-CB 4.04Å; Y330-N357 HydrophobicContact CE1-CB 3.75Å; Y330-N357 PolarHBondContact OH-ND2 2.93Å; D353-N357 WeakPolarHBondContact O-CB 3.29Å; D353-N357 PolarHBondContact O-N 3.32Å; D353-N357 PolarHBondContact O-ND2 3.39Å; Y354-N357 CarbonylContact O-C 3.34Å; Y354-N357 PolarHBondContact O-N 3.37Å; Y354-N357 VanDerWaalsContact O-N 3.11Å; N357-Q359 VanDerWaalsContact C-N 3.33Å; N357-Q360 PolarHBondContact O-N 3.48Å; N357-L361 PolarHBondContact O-N 3.43Å |
| 358 | V | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.3 | -45.2 | 171.1 | 172.5 | 0 | 0 | 0 | 0 | 110.3 | F327 Y354 N355 Q360 L361 W362 I507 L510 R511 | F327-V358 HydrophobicContact CE1-CG2 4.36Å; F327-V358 HydrophobicContact CE2-CG2 4.07Å; F327-V358 HydrophobicContact CZ-CB 4.41Å; F327-V358 HydrophobicContact CZ-CG2 3.46Å; F327-V358 VanDerWaalsContact CZ-CG2 3.46Å; Y354-V358 HydrophobicContact CD1-CG2 3.91Å; Y354-V358 HydrophobicContact CE1-CG2 3.43Å; Y354-V358 VanDerWaalsContact CE1-CG2 3.43Å; Y354-V358 HydrophobicContact CE2-CG2 4.4Å; Y354-V358 WeakPolarHBondContact O-CG2 3.47Å; Y354-V358 PolarHBondContact O-N 3.35Å; N355-V358 PolarHBondContact O-N 2.88Å; V358-Q360 VanDerWaalsContact C-N 3.32Å; V358-Q360 PolarHBondContact O-N 2.76Å; V358-L361 PolarHBondContact O-N 3.18Å; V358-W362 PolarHBondContact O-N 3.44Å; V358-I507 HydrophobicContact CG1-CD1 4.4Å; V358-I507 HydrophobicContact CG1-CG2 3.91Å; V358-L510 HydrophobicContact CG1-CB 4.35Å; V358-L510 HydrophobicContact CG2-CB 4.28Å; V358-R511 HydrophobicContact CG1-CG 4Å |
| 359 | Q | 97.5 | Very high | 96.1 | Very high | 68 Ų | 68 | 55.3 Ų | 55.3 | 32% | 0.318 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.8 | -37 | 177.4 | -174.7 | 58.2 | 49.7 | 0 | 0 | 112 | N355 E356 N357 W362 N363 | N355-Q359 PolarHBondContact O-N 2.9Å; E356-Q359 PolarHBondContact O-N 3.37Å; N357-Q359 VanDerWaalsContact C-N 3.33Å; Q359-W362 PolarHBondContact O-N 2.68Å; Q359-N363 PolarHBondContact NE2-OD1 2.86Å; Q359-N363 VanDerWaalsContact O-CG 3.24Å; Q359-N363 PolarHBondContact O-N 3.16Å; Q359-N363 PolarHBondContact O-ND2 3.42Å |
| 360 | Q | 97.3 | Very high | 96.3 | Very high | 102 Ų | 102 | 54.1 Ų | 54.1 | 48% | 0.477 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 172.7 | -71.5 | 178 | 27.2 | 0 | 0 | 111.7 | E356 N357 V358 W362 N363 E364 | E356-Q360 WeakPolarHBondContact O-CG 3.28Å; E356-Q360 PolarHBondContact O-N 3.42Å; N357-Q360 PolarHBondContact O-N 3.48Å; V358-Q360 VanDerWaalsContact C-N 3.32Å; V358-Q360 PolarHBondContact O-N 2.76Å; Q360-W362 VanDerWaalsContact C-N 3.35Å; Q360-W362 PolarHBondContact O-N 3.09Å; Q360-N363 WeakPolarHBondContact O-CB 3.43Å; Q360-N363 PolarHBondContact O-N 3.32Å; Q360-E364 WeakPolarHBondContact O-CG 3.34Å; Q360-E364 PolarHBondContact O-N 3.22Å |
| 361 | L | 97.9 | Very high | 96.5 | Very high | 6 Ų | 6 | 56 Ų | 56 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60 | -45.3 | 175 | -179.7 | 65.3 | 0 | 0 | 0 | 111.3 | K323 F327 N357 V358 N363 E364 L365 F506 I507 L510 | K323-L361 HydrophobicContact CB-CD1 4.04Å; F327-L361 HydrophobicContact CB-CD1 4.36Å; F327-L361 HydrophobicContact CB-CD2 3.8Å; F327-L361 HydrophobicContact CD1-CD2 3.93Å; F327-L361 HydrophobicContact CD2-CB 4.15Å; F327-L361 HydrophobicContact CD2-CD2 3.96Å; F327-L361 HydrophobicContact CG-CD2 3.6Å; N357-L361 PolarHBondContact O-N 3.43Å; V358-L361 PolarHBondContact O-N 3.18Å; L361-N363 VanDerWaalsContact C-N 3.33Å; L361-N363 PolarHBondContact O-N 3.4Å; L361-E364 PolarHBondContact O-N 3.17Å; L361-L365 HydrophobicContact CD1-CD1 4.24Å; L361-L365 HydrophobicContact CD1-CG 4.14Å; L361-L365 HydrophobicContact CG-CD1 4.05Å; L361-L365 HydrophobicContact CG-CG 4.32Å; L361-L365 WeakPolarHBondContact O-CG 3.29Å; L361-L365 PolarHBondContact O-N 2.96Å; L361-F506 HydrophobicContact CD2-CE1 3.97Å; L361-I507 HydrophobicContact CB-CD1 4.35Å; L361-I507 HydrophobicContact CD2-CD1 4.07Å; L361-I507 HydrophobicContact CG-CD1 4.13Å; L361-L510 HydrophobicContact CD2-CD1 3.81Å |
| 362 | W | 98.2 | Very high | 96.6 | Very high | 69 Ų | 69 | 54.8 Ų | 54.8 | 26% | 0.261 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -56.4 | -48.1 | 174.3 | -179.8 | 94.9 | 0 | 0 | 0 | 111 | V358 Q359 Q360 E364 L365 M366 N504 I507 | V358-W362 PolarHBondContact O-N 3.44Å; Q359-W362 PolarHBondContact O-N 2.68Å; Q360-W362 VanDerWaalsContact C-N 3.35Å; Q360-W362 PolarHBondContact O-N 3.09Å; W362-E364 VanDerWaalsContact C-N 3.31Å; W362-E364 PolarHBondContact O-N 3.04Å; W362-L365 PolarHBondContact O-N 3.29Å; W362-M366 HydrophobicContact CD2-CG 3.81Å; W362-M366 HydrophobicContact CE3-CG 4.2Å; W362-M366 HydrophobicContact CG-CG 4.34Å; W362-M366 HydrophobicContact CH2-CG 4.13Å; W362-M366 HydrophobicContact CZ2-CE 4.33Å; W362-M366 HydrophobicContact CZ2-CG 3.73Å; W362-M366 HydrophobicContact CZ2-SD 4.39Å; W362-M366 HydrophobicContact CZ3-CG 4.35Å; W362-M366 WeakPolarHBondContact O-CB 3.25Å; W362-M366 VanDerWaalsContact O-CG 3.26Å; W362-M366 WeakPolarHBondContact O-CG 3.25Å; W362-M366 PolarHBondContact O-N 3.11Å; W362-N504 PolarHBondContact NE1-OD1 3.1Å; W362-I507 HydrophobicContact CB-CD1 3.86Å; W362-I507 HydrophobicContact CB-CG1 3.84Å; W362-I507 HydrophobicContact CB-CG2 4.07Å; W362-I507 HydrophobicContact CG-CG1 4.19Å; W362-I507 HydrophobicContact CG-CG2 4.29Å |
| 363 | N | 97.7 | Very high | 96.7 | Very high | 82 Ų | 82 | 51.2 Ų | 51.2 | 44% | 0.439 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.2 | -41.3 | 177.7 | -72.7 | -31.8 | 0 | 0 | 0 | 111.7 | Q359 Q360 L361 R367 | Q359-N363 PolarHBondContact NE2-OD1 2.86Å; Q359-N363 VanDerWaalsContact O-CG 3.24Å; Q359-N363 PolarHBondContact O-N 3.16Å; Q359-N363 PolarHBondContact O-ND2 3.42Å; Q360-N363 WeakPolarHBondContact O-CB 3.43Å; Q360-N363 PolarHBondContact O-N 3.32Å; L361-N363 VanDerWaalsContact C-N 3.33Å; L361-N363 PolarHBondContact O-N 3.4Å; N363-R367 WeakPolarHBondContact O-CB 3.37Å; N363-R367 PolarHBondContact O-N 2.96Å |
| 364 | E | 97.4 | Very high | 96.8 | Very high | 55 Ų | 55 | 52.8 Ų | 52.8 | 26% | 0.257 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.9 | -44.6 | 179 | -72.6 | -167.3 | 150.7 | 0 | 0 | 112.6 | K323 Q360 L361 W362 R367 N368 | K323-E364 WeakPolarHBondContact CD-OE2 3.45Å; K323-E364 WeakPolarHBondContact CE-OE2 3.4Å; K323-E364 IonicContact NZ-OE1 2.79Å; K323-E364 PolarHBondContact NZ-OE1 2.8Å; K323-E364 IonicContact NZ-OE2 2.79Å; K323-E364 PolarHBondContact NZ-OE2 2.97Å; Q360-E364 WeakPolarHBondContact O-CG 3.34Å; Q360-E364 PolarHBondContact O-N 3.22Å; L361-E364 PolarHBondContact O-N 3.17Å; W362-E364 VanDerWaalsContact C-N 3.31Å; W362-E364 PolarHBondContact O-N 3.04Å; E364-R367 PolarHBondContact O-N 3.1Å; E364-N368 WeakPolarHBondContact O-CB 3.49Å; E364-N368 PolarHBondContact O-N 3.43Å; E364-N368 PolarHBondContact O-OD1 2.8Å |
| 365 | L | 97.9 | Very high | 96.8 | Very high | 3 Ų | 3 | 56.8 Ų | 56.8 | 2% | 0.016 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.6 | -44.1 | 177.9 | -66.5 | 177.7 | 0 | 0 | 0 | 111.3 | I324 L361 W362 R367 N368 E369 I503 F506 | I324-L365 HydrophobicContact CD1-CD1 4.42Å; I324-L365 HydrophobicContact CD1-CD2 4.41Å; I324-L365 HydrophobicContact CG1-CD1 4.3Å; I324-L365 HydrophobicContact CG1-CD2 4.32Å; L361-L365 HydrophobicContact CD1-CD1 4.24Å; L361-L365 HydrophobicContact CD1-CG 4.14Å; L361-L365 HydrophobicContact CG-CD1 4.05Å; L361-L365 HydrophobicContact CG-CG 4.32Å; L361-L365 WeakPolarHBondContact O-CG 3.29Å; L361-L365 PolarHBondContact O-N 2.96Å; W362-L365 PolarHBondContact O-N 3.29Å; L365-R367 VanDerWaalsContact C-N 3.34Å; L365-R367 PolarHBondContact O-N 2.82Å; L365-N368 PolarHBondContact O-N 2.75Å; L365-E369 PolarHBondContact O-N 2.66Å; L365-I503 HydrophobicContact CB-CD1 4.14Å; L365-I503 HydrophobicContact CB-CG1 4.26Å; L365-I503 HydrophobicContact CB-CG2 3.94Å; L365-I503 HydrophobicContact CD1-CG2 4.26Å; L365-F506 HydrophobicContact CD1-CD1 4.36Å |
| 366 | M | 97.7 | Very high | 96.9 | Very high | 48 Ų | 48 | 54 Ų | 54 | 24% | 0.236 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.6 | -39.4 | 175.1 | -71.3 | -60.7 | -67.1 | 0 | 0 | 111.8 | W362 E369 S370 V500 I503 | W362-M366 HydrophobicContact CD2-CG 3.81Å; W362-M366 HydrophobicContact CE3-CG 4.2Å; W362-M366 HydrophobicContact CG-CG 4.34Å; W362-M366 HydrophobicContact CH2-CG 4.13Å; W362-M366 HydrophobicContact CZ2-CE 4.33Å; W362-M366 HydrophobicContact CZ2-CG 3.73Å; W362-M366 HydrophobicContact CZ2-SD 4.39Å; W362-M366 HydrophobicContact CZ3-CG 4.35Å; W362-M366 WeakPolarHBondContact O-CB 3.25Å; W362-M366 VanDerWaalsContact O-CG 3.26Å; W362-M366 WeakPolarHBondContact O-CG 3.25Å; W362-M366 PolarHBondContact O-N 3.11Å; M366-E369 PolarHBondContact O-N 2.96Å; M366-S370 WeakPolarHBondContact O-CB 3.42Å; M366-S370 PolarHBondContact O-N 2.67Å; M366-V500 HydrophobicContact CE-CG1 4.03Å; M366-V500 HydrophobicContact CE-CG2 4.07Å; M366-V500 HydrophobicContact SD-CG1 4.3Å; M366-V500 HydrophobicContact SD-CG2 4.35Å; M366-I503 HydrophobicContact CG-CG2 4.3Å; M366-I503 HydrophobicContact SD-CB 4.47Å; M366-I503 HydrophobicContact SD-CD1 4.2Å; M366-I503 HydrophobicContact SD-CG2 4.05Å |
| 367 | R | 97.7 | Very high | 96.9 | Very high | 148 Ų | 148 | 50.5 Ų | 50.5 | 56% | 0.558 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -63.9 | -44.9 | 174.4 | -174.3 | -174.2 | 70.1 | 178.9 | -2 | 111.5 | N363 E364 L365 E369 S370 V371 | N363-R367 WeakPolarHBondContact O-CB 3.37Å; N363-R367 PolarHBondContact O-N 2.96Å; E364-R367 PolarHBondContact O-N 3.1Å; L365-R367 VanDerWaalsContact C-N 3.34Å; L365-R367 PolarHBondContact O-N 2.82Å; R367-E369 VanDerWaalsContact C-N 3.3Å; R367-E369 PolarHBondContact O-N 3.15Å; R367-S370 WeakPolarHBondContact O-CB 3.47Å; R367-S370 PolarHBondContact O-N 2.77Å; R367-V371 WeakPolarHBondContact O-CG2 3.47Å; R367-V371 PolarHBondContact O-N 3.47Å |
| 368 | N | 96.2 | Very high | 96.8 | Very high | 22 Ų | 22 | 54.7 Ų | 54.7 | 12% | 0.118 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 176.9 | -70.7 | -10.4 | 0 | 0 | 0 | 110.9 | N316 E364 L365 V371 L372 | N316-N368 VanDerWaalsContact ND2-C 3.27Å; N316-N368 PolarHBondContact ND2-O 3.35Å; E364-N368 WeakPolarHBondContact O-CB 3.49Å; E364-N368 PolarHBondContact O-N 3.43Å; E364-N368 PolarHBondContact O-OD1 2.8Å; L365-N368 PolarHBondContact O-N 2.75Å; N368-V371 PolarHBondContact O-N 2.95Å; N368-L372 PolarHBondContact O-N 3.49Å |
| 369 | E | 96.3 | Very high | 96.8 | Very high | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.009 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 175.5 | 178.7 | 57.5 | -164.4 | 0 | 0 | 112.1 | L365 M366 R367 V371 L372 V373 R495 N496 R499 V500 I503 | L365-E369 PolarHBondContact O-N 2.66Å; M366-E369 PolarHBondContact O-N 2.96Å; R367-E369 VanDerWaalsContact C-N 3.3Å; R367-E369 PolarHBondContact O-N 3.15Å; E369-V371 VanDerWaalsContact C-N 3.34Å; E369-V371 PolarHBondContact O-N 2.88Å; E369-L372 PolarHBondContact O-N 3.44Å; E369-V373 WeakPolarHBondContact O-CG2 3.44Å; E369-V373 PolarHBondContact O-N 3.02Å; E369-R495 IonicContact OE1-CZ 3.43Å; E369-R495 IonicContact OE1-NH1 2.71Å; E369-R495 PolarHBondContact OE1-NH1 3.31Å; E369-R495 IonicContact OE2-NH1 2.63Å; E369-N496 VanDerWaalsContact CG-ND2 3.34Å; E369-N496 WeakPolarHBondContact CG-ND2 3.38Å; E369-N496 PolarHBondContact OE1-ND2 3.2Å; E369-R499 HydrophobicContact CG-CG 4.24Å; E369-R499 WeakPolarHBondContact OE2-CG 3.48Å; E369-V500 HydrophobicContact CG-CG2 4.34Å; E369-I503 HydrophobicContact CB-CD1 4.24Å |
| 370 | S | 95.8 | Very high | 96.7 | Very high | 62 Ų | 62 | 53.2 Ų | 53.2 | 43% | 0.434 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -58.3 | -45.9 | 175.1 | -167.9 | 0 | 0 | 0 | 0 | 111.8 | M366 R367 L372 V373 E374 | M366-S370 WeakPolarHBondContact O-CB 3.42Å; M366-S370 PolarHBondContact O-N 2.67Å; R367-S370 WeakPolarHBondContact O-CB 3.47Å; R367-S370 PolarHBondContact O-N 2.77Å; S370-L372 VanDerWaalsContact C-N 3.34Å; S370-L372 PolarHBondContact O-N 2.94Å; S370-V373 PolarHBondContact O-N 3.26Å; S370-E374 PolarHBondContact O-N 3.38Å; S370-E374 VanDerWaalsContact O-N 3.07Å |
| 371 | V | 96.5 | Very high | 96.7 | Very high | 62 Ų | 62 | 51.7 Ų | 51.7 | 38% | 0.376 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.5 | -40.3 | 176.6 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | R367 N368 E369 V373 E374 Q375 | R367-V371 WeakPolarHBondContact O-CG2 3.47Å; R367-V371 PolarHBondContact O-N 3.47Å; N368-V371 PolarHBondContact O-N 2.95Å; E369-V371 VanDerWaalsContact C-N 3.34Å; E369-V371 PolarHBondContact O-N 2.88Å; V371-V373 VanDerWaalsContact C-N 3.34Å; V371-E374 PolarHBondContact O-N 3.46Å; V371-Q375 WeakPolarHBondContact O-CG 3.39Å; V371-Q375 PolarHBondContact O-N 3.05Å |
| 372 | L | 96.1 | Very high | 96.6 | Very high | 7 Ų | 7 | 57 Ų | 57 | 4% | 0.037 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.9 | -38.1 | 175.8 | 178.1 | 63.8 | 0 | 0 | 0 | 111.9 | A312 N316 N368 E369 S370 Q375 I376 | A312-L372 HydrophobicContact CB-CD1 3.8Å; N316-L372 HydrophobicContact CB-CB 4.35Å; N316-L372 HydrophobicContact CB-CD1 4.28Å; N316-L372 HydrophobicContact CB-CD2 3.78Å; N316-L372 HydrophobicContact CB-CG 4.35Å; N368-L372 PolarHBondContact O-N 3.49Å; E369-L372 PolarHBondContact O-N 3.44Å; S370-L372 VanDerWaalsContact C-N 3.34Å; S370-L372 PolarHBondContact O-N 2.94Å; L372-Q375 PolarHBondContact O-N 3Å; L372-I376 HydrophobicContact CD1-CD1 3.83Å; L372-I376 HydrophobicContact CD1-CG1 4.07Å; L372-I376 HydrophobicContact CD2-CD1 4.36Å; L372-I376 HydrophobicContact CG-CD1 3.84Å; L372-I376 HydrophobicContact CG-CG1 4.41Å; L372-I376 WeakPolarHBondContact O-CB 3.44Å; L372-I376 WeakPolarHBondContact O-CG1 3.44Å; L372-I376 PolarHBondContact O-N 3.31Å |
| 373 | V | 95.8 | Very high | 96.6 | Very high | 31 Ų | 31 | 53.9 Ų | 53.9 | 19% | 0.188 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 174.8 | 170.8 | 0 | 0 | 0 | 0 | 111 | E369 S370 V371 I376 D377 N496 | E369-V373 WeakPolarHBondContact O-CG2 3.44Å; E369-V373 PolarHBondContact O-N 3.02Å; S370-V373 PolarHBondContact O-N 3.26Å; V371-V373 VanDerWaalsContact C-N 3.34Å; V373-I376 PolarHBondContact O-N 3.35Å; V373-D377 WeakPolarHBondContact O-CB 2.89Å; V373-D377 PolarHBondContact O-N 2.96Å; V373-N496 HydrophobicContact CG2-CB 4.05Å; V373-N496 VanDerWaalsContact CG2-ND2 3.27Å; V373-N496 WeakPolarHBondContact CG2-ND2 3.23Å |
| 374 | E | 96 | Very high | 96.6 | Very high | 116 Ų | 116 | 52.7 Ų | 52.7 | 54% | 0.542 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.3 | -47 | 176.3 | -70.6 | 170.4 | -170.1 | 0 | 0 | 111.5 | S370 V371 I376 D377 E378 | S370-E374 PolarHBondContact O-N 3.38Å; S370-E374 VanDerWaalsContact O-N 3.07Å; V371-E374 PolarHBondContact O-N 3.46Å; E374-I376 PolarHBondContact O-N 2.8Å; E374-D377 WeakPolarHBondContact O-CB 3.35Å; E374-D377 PolarHBondContact O-N 3.44Å; E374-D377 VanDerWaalsContact O-N 3.14Å; E374-E378 PolarHBondContact O-N 3.42Å |
| 375 | Q | 95.9 | Very high | 96.6 | Very high | 84 Ų | 84 | 55.9 Ų | 55.9 | 39% | 0.393 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.7 | -43.6 | 176.6 | -72.7 | 175.3 | 5.8 | 0 | 0 | 112.7 | V371 L372 D377 E378 L379 | V371-Q375 WeakPolarHBondContact O-CG 3.39Å; V371-Q375 PolarHBondContact O-N 3.05Å; L372-Q375 PolarHBondContact O-N 3Å; Q375-D377 VanDerWaalsContact C-N 3.28Å; Q375-D377 PolarHBondContact O-N 3.39Å; Q375-E378 PolarHBondContact O-N 2.98Å; Q375-L379 WeakPolarHBondContact O-CG 3.33Å; Q375-L379 PolarHBondContact O-N 3.16Å |
| 376 | I | 96.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.2 | -36.1 | 177 | -74.8 | 174.2 | 0 | 0 | 0 | 110.5 | I309 L372 V373 E374 L379 I380 E491 R495 | I309-I376 HydrophobicContact CD1-CB 4.23Å; I309-I376 HydrophobicContact CD1-CG1 3.81Å; I309-I376 HydrophobicContact CD1-CG2 3.94Å; L372-I376 HydrophobicContact CD1-CD1 3.83Å; L372-I376 HydrophobicContact CD1-CG1 4.07Å; L372-I376 HydrophobicContact CD2-CD1 4.36Å; L372-I376 HydrophobicContact CG-CD1 3.84Å; L372-I376 HydrophobicContact CG-CG1 4.41Å; L372-I376 WeakPolarHBondContact O-CB 3.44Å; L372-I376 WeakPolarHBondContact O-CG1 3.44Å; L372-I376 PolarHBondContact O-N 3.31Å; V373-I376 PolarHBondContact O-N 3.35Å; E374-I376 PolarHBondContact O-N 2.8Å; I376-L379 PolarHBondContact O-N 3Å; I376-I380 HydrophobicContact CG2-CD1 3.63Å; I376-I380 HydrophobicContact CG2-CG1 4.21Å; I376-I380 WeakPolarHBondContact O-CB 3.3Å; I376-I380 WeakPolarHBondContact O-CG1 3.36Å; I376-I380 PolarHBondContact O-N 2.84Å; I376-E491 HydrophobicContact CG2-CB 4.44Å; I376-R495 VanDerWaalsContact CD1-CZ 3.42Å; I376-R495 VanDerWaalsContact CD1-NH2 3.27Å |
| 377 | D | 95.7 | Very high | 96.5 | Very high | 45 Ų | 45 | 56.3 Ų | 56.3 | 24% | 0.241 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 176.3 | -153.4 | 29.7 | 0 | 0 | 0 | 111.8 | V373 E374 Q375 I380 N381 K492 | V373-D377 WeakPolarHBondContact O-CB 2.89Å; V373-D377 PolarHBondContact O-N 2.96Å; E374-D377 WeakPolarHBondContact O-CB 3.35Å; E374-D377 PolarHBondContact O-N 3.44Å; E374-D377 VanDerWaalsContact O-N 3.14Å; Q375-D377 VanDerWaalsContact C-N 3.28Å; Q375-D377 PolarHBondContact O-N 3.39Å; D377-I380 PolarHBondContact O-N 2.98Å; D377-N381 WeakPolarHBondContact O-CB 3.29Å; D377-N381 VanDerWaalsContact O-CG 3.32Å; D377-N381 PolarHBondContact O-N 3.29Å; D377-N381 PolarHBondContact O-ND2 3.4Å; D377-K492 WeakPolarHBondContact OD1-CE 3Å; D377-K492 IonicContact OD1-NZ 3.32Å; D377-K492 PolarHBondContact OD1-NZ 2.83Å; D377-K492 IonicContact OD2-NZ 3.44Å; D377-K492 PolarHBondContact OD2-NZ 3.31Å |
| 378 | E | 96.3 | Very high | 96.6 | Very high | 136 Ų | 136 | 51.4 Ų | 51.4 | 64% | 0.636 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -59 | -46.9 | 173.6 | -70.2 | 177.4 | 178.6 | 0 | 0 | 111.5 | E374 Q375 I380 N381 E382 | E374-E378 PolarHBondContact O-N 3.42Å; Q375-E378 PolarHBondContact O-N 2.98Å; E378-I380 PolarHBondContact O-N 2.85Å; E378-N381 PolarHBondContact O-N 3.02Å; E378-E382 PolarHBondContact O-N 3.48Å |
| 379 | L | 96.7 | Very high | 96.6 | Very high | 37 Ų | 37 | 55.5 Ų | 55.5 | 19% | 0.194 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 177.6 | -71.1 | 173.3 | 0 | 0 | 0 | 112.6 | F305 C308 I309 Q375 I376 F383 | F305-L379 HydrophobicContact CE2-CB 4.2Å; C308-L379 HydrophobicContact CB-CD1 4.12Å; C308-L379 HydrophobicContact CB-CD2 3.97Å; I309-L379 HydrophobicContact CD1-CB 4.07Å; I309-L379 HydrophobicContact CD1-CD1 3.8Å; I309-L379 HydrophobicContact CG1-CD1 4.43Å; Q375-L379 WeakPolarHBondContact O-CG 3.33Å; Q375-L379 PolarHBondContact O-N 3.16Å; I376-L379 PolarHBondContact O-N 3Å; L379-F383 VanDerWaalsContact O-CB 3.3Å; L379-F383 WeakPolarHBondContact O-CB 3.31Å; L379-F383 PolarHBondContact O-N 2.98Å |
| 380 | I | 96.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.6 | -42 | 177.3 | -67.6 | 167.6 | 0 | 0 | 0 | 110.3 | F305 I376 D377 E378 F383 E384 I487 Y488 E491 K492 | F305-I380 HydrophobicContact CE2-CG1 4.06Å; F305-I380 HydrophobicContact CZ-CG1 3.88Å; I376-I380 HydrophobicContact CG2-CD1 3.63Å; I376-I380 HydrophobicContact CG2-CG1 4.21Å; I376-I380 WeakPolarHBondContact O-CB 3.3Å; I376-I380 WeakPolarHBondContact O-CG1 3.36Å; I376-I380 PolarHBondContact O-N 2.84Å; D377-I380 PolarHBondContact O-N 2.98Å; E378-I380 PolarHBondContact O-N 2.85Å; I380-F383 PolarHBondContact O-N 3.36Å; I380-E384 VanDerWaalsContact O-CB 3.26Å; I380-E384 WeakPolarHBondContact O-CB 3.43Å; I380-E384 PolarHBondContact O-N 2.93Å; I380-I487 HydrophobicContact CD1-CG2 4.1Å; I380-I487 HydrophobicContact CG1-CG2 3.86Å; I380-I487 HydrophobicContact CG2-CG2 4.34Å; I380-Y488 HydrophobicContact CB-CE1 4.35Å; I380-Y488 HydrophobicContact CD1-CD1 4.33Å; I380-Y488 HydrophobicContact CG2-CD1 3.98Å; I380-Y488 HydrophobicContact CG2-CD2 3.9Å; I380-Y488 HydrophobicContact CG2-CE1 3.55Å; I380-Y488 HydrophobicContact CG2-CE2 3.46Å; I380-Y488 VanDerWaalsContact CG2-CE2 3.46Å; I380-Y488 HydrophobicContact CG2-CG 4.15Å; I380-E491 HydrophobicContact CD1-CB 4.42Å; I380-K492 HydrophobicContact CD1-CB 4.35Å |
| 381 | N | 96.3 | Very high | 96.8 | Very high | 70 Ų | 70 | 53.9 Ų | 53.9 | 37% | 0.374 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 178 | -75.2 | -55.9 | 0 | 0 | 0 | 112 | D377 E378 E384 L385 Y488 | D377-N381 WeakPolarHBondContact O-CB 3.29Å; D377-N381 VanDerWaalsContact O-CG 3.32Å; D377-N381 PolarHBondContact O-N 3.29Å; D377-N381 PolarHBondContact O-ND2 3.4Å; E378-N381 PolarHBondContact O-N 3.02Å; N381-E384 PolarHBondContact O-N 3.48Å; N381-L385 VanDerWaalsContact O-CG 3.31Å; N381-L385 WeakPolarHBondContact O-CG 3.24Å; N381-L385 PolarHBondContact O-N 3.42Å; N381-Y488 PolarHBondContact OD1-OH 3.24Å |
| 382 | E | 96.8 | Very high | 96.9 | Very high | 117 Ų | 117 | 54.1 Ų | 54.1 | 55% | 0.547 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63 | -47.3 | 175.3 | -174 | 175.8 | -176.9 | 0 | 0 | 111.3 | E378 E384 L385 N386 | E378-E382 PolarHBondContact O-N 3.48Å; E382-E384 VanDerWaalsContact C-N 3.34Å; E382-E384 PolarHBondContact O-N 3.23Å; E382-L385 PolarHBondContact O-N 3.1Å; E382-N386 VanDerWaalsContact O-CG 3.31Å; E382-N386 PolarHBondContact O-N 3.4Å |
| 383 | F | 97.1 | Very high | 97 | Very high | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.018 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.2 | -42.3 | 175.9 | 174.3 | -101.3 | 0 | 0 | 0 | 112.4 | E301 I302 F305 L379 I380 N386 L387 I487 | E301-F383 HydrophobicContact CG-CD2 3.98Å; E301-F383 HydrophobicContact CG-CE2 3.92Å; I302-F383 HydrophobicContact CG1-CE2 3.98Å; I302-F383 HydrophobicContact CG1-CZ 3.88Å; F305-F383 HydrophobicContact CB-CB 4.47Å; F305-F383 HydrophobicContact CB-CD2 3.53Å; F305-F383 HydrophobicContact CB-CE2 4.01Å; F305-F383 HydrophobicContact CB-CG 4.13Å; F305-F383 HydrophobicContact CD1-CD2 4.26Å; F305-F383 HydrophobicContact CD1-CE2 4.45Å; F305-F383 HydrophobicContact CD1-CG 4.27Å; F305-F383 HydrophobicContact CD2-CB 3.53Å; F305-F383 HydrophobicContact CD2-CD2 4.09Å; F305-F383 AromaticContact CD2-CG 3.79Å; F305-F383 HydrophobicContact CD2-CG 3.79Å; F305-F383 HydrophobicContact CE2-CB 3.94Å; F305-F383 HydrophobicContact CE2-CG 4.28Å; F305-F383 HydrophobicContact CG-CB 4.04Å; F305-F383 HydrophobicContact CG-CD1 4.43Å; F305-F383 AromaticContact CG-CD2 3.69Å; F305-F383 HydrophobicContact CG-CD2 3.69Å; F305-F383 HydrophobicContact CG-CE2 4.25Å; F305-F383 AromaticContact CG-CG 3.78Å; F305-F383 HydrophobicContact CG-CG 3.78Å; L379-F383 VanDerWaalsContact O-CB 3.3Å; L379-F383 WeakPolarHBondContact O-CB 3.31Å; L379-F383 PolarHBondContact O-N 2.98Å; I380-F383 PolarHBondContact O-N 3.36Å; F383-N386 PolarHBondContact O-N 3.26Å; F383-L387 HydrophobicContact CE1-CD2 3.9Å; F383-L387 HydrophobicContact CZ-CD1 4.5Å; F383-L387 HydrophobicContact CZ-CD2 3.92Å; F383-L387 VanDerWaalsContact O-CB 3.24Å; F383-L387 WeakPolarHBondContact O-CB 3.3Å; F383-L387 PolarHBondContact O-N 3.32Å; F383-I487 HydrophobicContact CD1-CD1 4Å; F383-I487 HydrophobicContact CE1-CD1 3.36Å; F383-I487 HydrophobicContact CZ-CD1 4.01Å |
| 384 | E | 97.3 | Very high | 97.2 | Very high | 56 Ų | 56 | 54.7 Ų | 54.7 | 26% | 0.262 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 176.6 | 173.1 | 167.3 | -169.6 | 0 | 0 | 111.3 | I380 N381 E382 L387 N388 I484 Y488 | I380-E384 VanDerWaalsContact O-CB 3.26Å; I380-E384 WeakPolarHBondContact O-CB 3.43Å; I380-E384 PolarHBondContact O-N 2.93Å; N381-E384 PolarHBondContact O-N 3.48Å; E382-E384 VanDerWaalsContact C-N 3.34Å; E382-E384 PolarHBondContact O-N 3.23Å; E384-L387 PolarHBondContact O-N 3.19Å; E384-N388 WeakPolarHBondContact CG-ND2 3.38Å; E384-N388 WeakPolarHBondContact O-CB 3.37Å; E384-N388 PolarHBondContact O-N 2.88Å; E384-N388 PolarHBondContact O-ND2 3.16Å; E384-I484 HydrophobicContact CG-CD1 3.94Å; E384-I484 HydrophobicContact CG-CG2 4.44Å; E384-Y488 VanDerWaalsContact OE2-CE2 3.3Å; E384-Y488 WeakPolarHBondContact OE2-CE2 3.5Å; E384-Y488 PolarHBondContact OE2-OH 2.85Å |
| 385 | L | 97.7 | Very high | 97.3 | Very high | 123 Ų | 123 | 50.1 Ų | 50.1 | 64% | 0.644 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -62.2 | -48.1 | 176.4 | -72.2 | 171.9 | 0 | 0 | 0 | 111.7 | N381 E382 L387 N388 D389 | N381-L385 VanDerWaalsContact O-CG 3.31Å; N381-L385 WeakPolarHBondContact O-CG 3.24Å; N381-L385 PolarHBondContact O-N 3.42Å; E382-L385 PolarHBondContact O-N 3.1Å; L385-L387 PolarHBondContact O-N 2.66Å; L385-N388 PolarHBondContact O-N 3.09Å; L385-D389 PolarHBondContact O-N 3.21Å |
| 386 | N | 97.5 | Very high | 97.4 | Very high | 60 Ų | 60 | 52.4 Ų | 52.4 | 32% | 0.321 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61 | -45.8 | 178.3 | -68.3 | -15.3 | 0 | 0 | 0 | 111.1 | E301 E382 F383 N388 D389 M390 | E301-N386 HydrophobicContact CG-CB 4.49Å; E301-N386 WeakPolarHBondContact OE1-CB 3.2Å; E301-N386 PolarHBondContact OE1-ND2 2.98Å; E382-N386 VanDerWaalsContact O-CG 3.31Å; E382-N386 PolarHBondContact O-N 3.4Å; F383-N386 PolarHBondContact O-N 3.26Å; N386-N388 PolarHBondContact O-N 3.14Å; N386-D389 PolarHBondContact O-N 3.25Å; N386-M390 WeakPolarHBondContact O-CG 3.42Å; N386-M390 PolarHBondContact O-N 2.7Å |
| 387 | L | 97.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.8 | -39.5 | -178.8 | -166.8 | 65.6 | 0 | 0 | 0 | 112 | R298 F383 E384 L385 M390 I391 W479 M480 T483 I484 | R298-L387 HydrophobicContact CG-CD1 4.39Å; F383-L387 HydrophobicContact CE1-CD2 3.9Å; F383-L387 HydrophobicContact CZ-CD1 4.5Å; F383-L387 HydrophobicContact CZ-CD2 3.92Å; F383-L387 VanDerWaalsContact O-CB 3.24Å; F383-L387 WeakPolarHBondContact O-CB 3.3Å; F383-L387 PolarHBondContact O-N 3.32Å; E384-L387 PolarHBondContact O-N 3.19Å; L385-L387 PolarHBondContact O-N 2.66Å; L387-M390 PolarHBondContact O-N 3.22Å; L387-I391 HydrophobicContact CG-CG1 4.49Å; L387-I391 WeakPolarHBondContact O-CB 3.37Å; L387-I391 VanDerWaalsContact O-CG1 3.29Å; L387-I391 WeakPolarHBondContact O-CG1 3.48Å; L387-I391 PolarHBondContact O-N 2.89Å; L387-W479 HydrophobicContact CD1-CH2 3.97Å; L387-W479 HydrophobicContact CD1-CZ3 3.85Å; L387-W479 HydrophobicContact CD2-CH2 4.36Å; L387-W479 HydrophobicContact CD2-CZ3 4.11Å; L387-W479 HydrophobicContact CG-CZ3 4.3Å; L387-M480 HydrophobicContact CD2-CG 4.03Å; L387-M480 HydrophobicContact CG-CG 4.18Å; L387-T483 HydrophobicContact CD2-CG2 4.47Å; L387-I484 HydrophobicContact CD2-CD1 4.4Å; L387-I484 HydrophobicContact CD2-CG1 4.14Å |
| 388 | N | 97.8 | Very high | 97.6 | Very high | 45 Ų | 45 | 53 Ų | 53 | 24% | 0.241 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.3 | -46.8 | 173.3 | -85.4 | -71 | 0 | 0 | 0 | 111.4 | E384 L385 N386 M390 I391 N392 M480 | E384-N388 WeakPolarHBondContact CG-ND2 3.38Å; E384-N388 WeakPolarHBondContact O-CB 3.37Å; E384-N388 PolarHBondContact O-N 2.88Å; E384-N388 PolarHBondContact O-ND2 3.16Å; L385-N388 PolarHBondContact O-N 3.09Å; N386-N388 PolarHBondContact O-N 3.14Å; N388-M390 PolarHBondContact O-N 3.14Å; N388-I391 PolarHBondContact O-N 3.05Å; N388-N392 WeakPolarHBondContact O-CB 3.29Å; N388-N392 PolarHBondContact O-N 2.85Å; N388-N392 PolarHBondContact O-ND2 3.28Å; N388-M480 HydrophobicContact CB-SD 4.39Å; N388-M480 WeakPolarHBondContact OD1-CE 3.5Å; N388-M480 PolarHBondContact OD1-SD 3.32Å; N388-M480 VanDerWaalsContact OD1-SD 3.4Å |
| 389 | D | 98.2 | Very high | 97.7 | Very high | 107 Ų | 107 | 49.9 Ų | 49.9 | 57% | 0.572 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -60.3 | -46.1 | 178.1 | -173.1 | 52.7 | 0 | 0 | 0 | 111.6 | L385 N386 I391 N392 T393 | L385-D389 PolarHBondContact O-N 3.21Å; N386-D389 PolarHBondContact O-N 3.25Å; D389-I391 PolarHBondContact O-N 3.49Å; D389-N392 PolarHBondContact O-N 3.45Å; D389-T393 WeakPolarHBondContact O-CB 3.33Å; D389-T393 PolarHBondContact O-N 3.28Å; D389-T393 PolarHBondContact O-OG1 2.98Å |
| 390 | M | 98.2 | Very high | 97.8 | Very high | 30 Ų | 30 | 53 Ų | 53 | 15% | 0.148 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.4 | -44.4 | 177.9 | -68.1 | 174.5 | 78.4 | 0 | 0 | 112.6 | K297 R298 E301 N386 L387 N388 F394 | K297-M390 VanDerWaalsContact C-CE 3.42Å; K297-M390 HydrophobicContact CB-CE 3.55Å; R298-M390 HydrophobicContact CB-CE 4.29Å; R298-M390 HydrophobicContact CG-CE 3.77Å; E301-M390 HydrophobicContact CB-CE 4.45Å; E301-M390 HydrophobicContact CB-SD 4.05Å; E301-M390 HydrophobicContact CG-SD 4.13Å; N386-M390 WeakPolarHBondContact O-CG 3.42Å; N386-M390 PolarHBondContact O-N 2.7Å; L387-M390 PolarHBondContact O-N 3.22Å; N388-M390 PolarHBondContact O-N 3.14Å; M390-F394 VanDerWaalsContact O-CB 3.28Å; M390-F394 WeakPolarHBondContact O-CB 3.35Å; M390-F394 PolarHBondContact O-N 3.45Å |
| 391 | I | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -71 | -42.2 | -178.9 | -70.1 | -72.8 | 0 | 0 | 0 | 111.1 | F240 L387 N388 D389 F394 I395 A476 W479 M480 | F240-I391 HydrophobicContact CE2-CD1 4.12Å; L387-I391 HydrophobicContact CG-CG1 4.49Å; L387-I391 WeakPolarHBondContact O-CB 3.37Å; L387-I391 VanDerWaalsContact O-CG1 3.29Å; L387-I391 WeakPolarHBondContact O-CG1 3.48Å; L387-I391 PolarHBondContact O-N 2.89Å; N388-I391 PolarHBondContact O-N 3.05Å; D389-I391 PolarHBondContact O-N 3.49Å; I391-F394 PolarHBondContact O-N 2.88Å; I391-I395 HydrophobicContact CG2-CD1 3.72Å; I391-I395 HydrophobicContact CG2-CG1 4.48Å; I391-I395 VanDerWaalsContact O-CG1 3.27Å; I391-I395 WeakPolarHBondContact O-CG1 3.44Å; I391-I395 PolarHBondContact O-N 2.91Å; I391-A476 HydrophobicContact CD1-CB 4.35Å; I391-A476 HydrophobicContact CG2-CB 4.28Å; I391-W479 HydrophobicContact CD1-CE3 4.1Å; I391-W479 HydrophobicContact CD1-CZ3 4Å; I391-W479 HydrophobicContact CG1-CZ3 4.45Å; I391-M480 HydrophobicContact CB-SD 3.66Å; I391-M480 HydrophobicContact CG1-CB 4.19Å; I391-M480 HydrophobicContact CG1-CG 4.26Å; I391-M480 HydrophobicContact CG1-SD 3.77Å; I391-M480 HydrophobicContact CG2-CE 4.3Å; I391-M480 HydrophobicContact CG2-SD 3.85Å |
| 392 | N | 98.1 | Very high | 97.9 | Very high | 67 Ų | 67 | 51.5 Ų | 51.5 | 36% | 0.358 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66 | -45.1 | 177.8 | -68.5 | -32.1 | 0 | 0 | 0 | 111.1 | N388 D389 F394 I395 E396 | N388-N392 WeakPolarHBondContact O-CB 3.29Å; N388-N392 PolarHBondContact O-N 2.85Å; N388-N392 PolarHBondContact O-ND2 3.28Å; D389-N392 PolarHBondContact O-N 3.45Å; N392-F394 VanDerWaalsContact C-N 3.29Å; N392-F394 PolarHBondContact O-N 3.35Å; N392-I395 PolarHBondContact O-N 3.28Å; N392-E396 WeakPolarHBondContact O-CG 3.12Å; N392-E396 PolarHBondContact O-N 2.82Å |
| 393 | T | 98.2 | Very high | 98 | Very high | 50 Ų | 50 | 48.2 Ų | 48.2 | 31% | 0.307 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59 | -41.3 | 174.1 | -60.4 | 0 | 0 | 0 | 0 | 111.4 | D389 N397 | D389-T393 WeakPolarHBondContact O-CB 3.33Å; D389-T393 PolarHBondContact O-N 3.28Å; D389-T393 PolarHBondContact O-OG1 2.98Å; T393-N397 VanDerWaalsContact O-CG 3.22Å; T393-N397 PolarHBondContact O-N 3.28Å; T393-N397 VanDerWaalsContact O-N 3.08Å; T393-N397 PolarHBondContact O-ND2 3.37Å |
| 394 | F | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.6 | -47.9 | 175.1 | 170 | -116.2 | 0 | 0 | 0 | 111.7 | F240 L290 E294 M390 I391 N392 E396 N397 V398 I472 A476 | F240-F394 AromaticContact CD2-CE1 3.92Å; F240-F394 HydrophobicContact CD2-CE1 3.92Å; L290-F394 HydrophobicContact CD2-CD2 4.22Å; L290-F394 HydrophobicContact CD2-CE2 4.28Å; L290-F394 HydrophobicContact CG-CD2 4.08Å; L290-F394 HydrophobicContact CG-CE2 4.11Å; E294-F394 HydrophobicContact CB-CD2 3.93Å; E294-F394 HydrophobicContact CB-CG 4.35Å; E294-F394 HydrophobicContact CG-CB 4.22Å; E294-F394 HydrophobicContact CG-CD2 3.74Å; E294-F394 HydrophobicContact CG-CG 4.32Å; M390-F394 VanDerWaalsContact O-CB 3.28Å; M390-F394 WeakPolarHBondContact O-CB 3.35Å; M390-F394 PolarHBondContact O-N 3.45Å; I391-F394 PolarHBondContact O-N 2.88Å; N392-F394 VanDerWaalsContact C-N 3.29Å; N392-F394 PolarHBondContact O-N 3.35Å; F394-E396 PolarHBondContact O-N 2.84Å; F394-N397 PolarHBondContact O-N 3.31Å; F394-V398 HydrophobicContact CD2-CG2 3.91Å; F394-V398 HydrophobicContact CE1-CG2 4.24Å; F394-V398 HydrophobicContact CE2-CG2 3.47Å; F394-V398 VanDerWaalsContact CE2-CG2 3.47Å; F394-V398 HydrophobicContact CG-CG2 4.48Å; F394-V398 HydrophobicContact CZ-CG2 3.67Å; F394-V398 VanDerWaalsContact O-CG2 3.27Å; F394-V398 WeakPolarHBondContact O-CG2 3.27Å; F394-V398 PolarHBondContact O-N 2.67Å; F394-I472 HydrophobicContact CE1-CG2 3.67Å; F394-I472 HydrophobicContact CZ-CG2 3.76Å; F394-A476 HydrophobicContact CD1-CB 4.41Å; F394-A476 HydrophobicContact CE1-CB 4.36Å |
| 395 | I | 98.3 | Very high | 98.1 | Very high | 21 Ų | 21 | 48.2 Ų | 48.2 | 11% | 0.108 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.2 | -42.6 | 179.5 | -69.9 | 164.2 | 0 | 0 | 0 | 111 | I391 N392 V398 E399 A476 K477 | I391-I395 HydrophobicContact CG2-CD1 3.72Å; I391-I395 HydrophobicContact CG2-CG1 4.48Å; I391-I395 VanDerWaalsContact O-CG1 3.27Å; I391-I395 WeakPolarHBondContact O-CG1 3.44Å; I391-I395 PolarHBondContact O-N 2.91Å; N392-I395 PolarHBondContact O-N 3.28Å; I395-V398 PolarHBondContact O-N 3.3Å; I395-E399 WeakPolarHBondContact O-CB 3.44Å; I395-E399 PolarHBondContact O-N 3.39Å; I395-A476 HydrophobicContact CD1-CB 4.34Å; I395-A476 HydrophobicContact CG1-CB 4.43Å; I395-K477 HydrophobicContact CD1-CD 4.45Å; I395-K477 HydrophobicContact CD1-CG 3.91Å |
| 396 | E | 98.4 | Very high | 98.2 | Very high | 132 Ų | 132 | 44.6 Ų | 44.6 | 62% | 0.617 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -61 | -44.9 | 177 | -73.3 | 173.5 | -172.3 | 0 | 0 | 112 | N392 F394 V398 E399 E400 | N392-E396 WeakPolarHBondContact O-CG 3.12Å; N392-E396 PolarHBondContact O-N 2.82Å; F394-E396 PolarHBondContact O-N 2.84Å; E396-V398 VanDerWaalsContact C-N 3.35Å; E396-V398 PolarHBondContact O-N 3.28Å; E396-E399 WeakPolarHBondContact O-CB 3.23Å; E396-E399 PolarHBondContact O-N 2.8Å; E396-E400 PolarHBondContact O-N 3.43Å |
| 397 | N | 98.3 | Very high | 98.2 | Very high | 52 Ų | 52 | 46.7 Ų | 46.7 | 28% | 0.278 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -68.1 | -33.9 | 177.4 | -68.2 | -36.7 | 0 | 0 | 0 | 112.6 | L290 T393 F394 H401 | L290-N397 HydrophobicContact CD1-CB 4.41Å; L290-N397 HydrophobicContact CD2-CB 3.61Å; T393-N397 VanDerWaalsContact O-CG 3.22Å; T393-N397 PolarHBondContact O-N 3.28Å; T393-N397 VanDerWaalsContact O-N 3.08Å; T393-N397 PolarHBondContact O-ND2 3.37Å; F394-N397 PolarHBondContact O-N 3.31Å; N397-H401 PolarHBondContact O-N 3.43Å |
| 398 | V | 98.2 | Very high | 98.3 | Very high | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.024 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.8 | -44.3 | 172.8 | 168.3 | 0 | 0 | 0 | 0 | 110 | V287 L290 F394 I395 E396 E400 H401 F402 I472 | V287-V398 HydrophobicContact CG1-CG1 4.49Å; V287-V398 HydrophobicContact CG1-CG2 4.42Å; L290-V398 HydrophobicContact CD2-CG2 3.93Å; F394-V398 HydrophobicContact CD2-CG2 3.91Å; F394-V398 HydrophobicContact CE1-CG2 4.24Å; F394-V398 HydrophobicContact CE2-CG2 3.47Å; F394-V398 VanDerWaalsContact CE2-CG2 3.47Å; F394-V398 HydrophobicContact CG-CG2 4.48Å; F394-V398 HydrophobicContact CZ-CG2 3.67Å; F394-V398 VanDerWaalsContact O-CG2 3.27Å; F394-V398 WeakPolarHBondContact O-CG2 3.27Å; F394-V398 PolarHBondContact O-N 2.67Å; I395-V398 PolarHBondContact O-N 3.3Å; E396-V398 VanDerWaalsContact C-N 3.35Å; E396-V398 PolarHBondContact O-N 3.28Å; V398-E400 VanDerWaalsContact C-N 3.31Å; V398-E400 PolarHBondContact O-N 2.95Å; V398-H401 PolarHBondContact O-N 2.97Å; V398-F402 HydrophobicContact CG1-CD2 3.58Å; V398-F402 HydrophobicContact CG1-CE2 3.55Å; V398-F402 VanDerWaalsContact O-CD2 3.27Å; V398-F402 WeakPolarHBondContact O-CD2 3.25Å; V398-F402 PolarHBondContact O-N 3.41Å; V398-I472 HydrophobicContact CG1-CB 4.47Å; V398-I472 HydrophobicContact CG1-CD1 4.14Å; V398-I472 HydrophobicContact CG1-CG2 4.21Å; V398-I472 HydrophobicContact CG2-CG2 4.3Å |
| 399 | E | 98.2 | Very high | 98.3 | Very high | 71 Ų | 71 | 45.5 Ų | 45.5 | 33% | 0.332 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.4 | -34.8 | 178 | -170.8 | 58.8 | -149.1 | 0 | 0 | 112.6 | I395 E396 F402 T403 R406 | I395-E399 WeakPolarHBondContact O-CB 3.44Å; I395-E399 PolarHBondContact O-N 3.39Å; E396-E399 WeakPolarHBondContact O-CB 3.23Å; E396-E399 PolarHBondContact O-N 2.8Å; E399-F402 PolarHBondContact O-N 3.25Å; E399-T403 WeakPolarHBondContact O-CB 3.36Å; E399-T403 PolarHBondContact O-N 3Å; E399-T403 PolarHBondContact O-OG1 3.26Å; E399-R406 IonicContact OE1-CZ 3.01Å; E399-R406 IonicContact OE1-NH1 3.59Å; E399-R406 PolarHBondContact OE1-NH1 3.28Å; E399-R406 IonicContact OE1-NH2 2.75Å; E399-R406 PolarHBondContact OE1-NH2 3.45Å |
| 400 | E | 98.3 | Very high | 98.3 | Very high | 103 Ų | 103 | 43.4 Ų | 43.4 | 48% | 0.481 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -58.8 | -50.4 | 171 | -173.8 | -179.2 | 174.3 | 0 | 0 | 110.5 | E396 V398 F402 T403 E404 | E396-E400 PolarHBondContact O-N 3.43Å; V398-E400 VanDerWaalsContact C-N 3.31Å; V398-E400 PolarHBondContact O-N 2.95Å; E400-F402 VanDerWaalsContact C-N 3.34Å; E400-F402 PolarHBondContact O-N 3.48Å; E400-T403 WeakPolarHBondContact O-CB 3.25Å; E400-T403 PolarHBondContact O-N 3.47Å; E400-E404 PolarHBondContact O-N 2.76Å |
| 401 | H | 98.1 | Very high | 98.3 | Very high | 38 Ų | 38 | 45.5 Ų | 45.5 | 18% | 0.176 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.6 | -34.9 | 178.4 | -67.9 | -16 | 0 | 0 | 0 | 113.7 | V287 N397 V398 E404 C405 | V287-H401 HydrophobicContact CG2-CB 3.46Å; V287-H401 VanDerWaalsContact CG2-CB 3.46Å; N397-H401 PolarHBondContact O-N 3.43Å; V398-H401 PolarHBondContact O-N 2.97Å; H401-E404 WeakPolarHBondContact O-CB 3.32Å; H401-E404 PolarHBondContact O-N 2.82Å; H401-C405 PolarHBondContact O-N 2.87Å; H401-C405 PolarHBondContact O-SG 3.36Å; H401-C405 VanDerWaalsContact O-SG 3.39Å |
| 402 | F | 98.1 | Very high | 98.3 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 0% | 0.004 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -75.5 | -27.6 | 175.7 | -77.8 | -67.4 | 0 | 0 | 0 | 113.5 | M244 V287 V398 E399 E400 E404 C405 R406 I465 F468 A469 I472 | M244-F402 HydrophobicContact CE-CZ 3.95Å; M244-F402 HydrophobicContact SD-CZ 4.23Å; V287-F402 HydrophobicContact CG1-CE2 4.31Å; V287-F402 HydrophobicContact CG2-CE2 4.26Å; V398-F402 HydrophobicContact CG1-CD2 3.58Å; V398-F402 HydrophobicContact CG1-CE2 3.55Å; V398-F402 VanDerWaalsContact O-CD2 3.27Å; V398-F402 WeakPolarHBondContact O-CD2 3.25Å; V398-F402 PolarHBondContact O-N 3.41Å; E399-F402 PolarHBondContact O-N 3.25Å; E400-F402 VanDerWaalsContact C-N 3.34Å; E400-F402 PolarHBondContact O-N 3.48Å; F402-E404 PolarHBondContact O-N 2.98Å; F402-C405 HydrophobicContact CD1-CB 4.45Å; F402-C405 WeakPolarHBondContact O-CB 3.35Å; F402-C405 PolarHBondContact O-N 3.5Å; F402-R406 WeakPolarHBondContact O-CG 3.41Å; F402-R406 PolarHBondContact O-N 3.45Å; F402-I465 HydrophobicContact CD1-CG2 3.81Å; F402-F468 HydrophobicContact CE1-CB 3.56Å; F402-F468 HydrophobicContact CE1-CD2 4.36Å; F402-F468 HydrophobicContact CE1-CG 4.47Å; F402-F468 HydrophobicContact CZ-CB 3.64Å; F402-A469 HydrophobicContact CB-CB 4.09Å; F402-A469 HydrophobicContact CD1-CB 4.41Å; F402-A469 HydrophobicContact CD2-CB 3.53Å; F402-A469 HydrophobicContact CE2-CB 4.02Å; F402-A469 HydrophobicContact CG-CB 3.76Å; F402-I472 HydrophobicContact CE2-CD1 3.93Å; F402-I472 HydrophobicContact CZ-CD1 4.26Å |
| 403 | T | 98.5 | Very high | 98.3 | Very high | 48 Ų | 48 | 44.5 Ų | 44.5 | 29% | 0.294 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.2 | -43.9 | 167.2 | -61.1 | 0 | 0 | 0 | 0 | 110.2 | E399 E400 C405 R406 E407 | E399-T403 WeakPolarHBondContact O-CB 3.36Å; E399-T403 PolarHBondContact O-N 3Å; E399-T403 PolarHBondContact O-OG1 3.26Å; E400-T403 WeakPolarHBondContact O-CB 3.25Å; E400-T403 PolarHBondContact O-N 3.47Å; T403-C405 VanDerWaalsContact C-N 3.33Å; T403-C405 PolarHBondContact O-N 3.38Å; T403-R406 VanDerWaalsContact CA-NH2 3.28Å; T403-R406 WeakPolarHBondContact O-CB 3.36Å; T403-R406 PolarHBondContact O-N 3.3Å; T403-R406 PolarHBondContact OG1-NH2 3.38Å; T403-E407 PolarHBondContact O-N 2.98Å |
| 404 | E | 98.4 | Very high | 98.3 | Very high | 60 Ų | 60 | 47.5 Ų | 47.5 | 28% | 0.28 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -69.6 | -35.8 | -178.5 | -92.1 | 59.3 | 164.2 | 0 | 0 | 110.6 | Q283 E400 H401 F402 E407 L408 | Q283-E404 HydrophobicContact CG-CB 4.48Å; E400-E404 PolarHBondContact O-N 2.76Å; H401-E404 WeakPolarHBondContact O-CB 3.32Å; H401-E404 PolarHBondContact O-N 2.82Å; F402-E404 PolarHBondContact O-N 2.98Å; E404-E407 PolarHBondContact O-N 3Å; E404-L408 WeakPolarHBondContact O-CB 3.42Å; E404-L408 WeakPolarHBondContact O-CG 3.29Å; E404-L408 PolarHBondContact O-N 2.98Å |
| 405 | C | 98.3 | Very high | 98.2 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.007 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.5 | -43 | 169.3 | -71.6 | 0 | 0 | 0 | 0 | 112.4 | F280 Q283 H401 F402 T403 L408 Q409 I465 | F280-C405 HydrophobicContact CD2-CB 4.06Å; F280-C405 HydrophobicContact CE2-CB 3.97Å; Q283-C405 WeakPolarHBondContact CB-SG 3.48Å; H401-C405 PolarHBondContact O-N 2.87Å; H401-C405 PolarHBondContact O-SG 3.36Å; H401-C405 VanDerWaalsContact O-SG 3.39Å; F402-C405 HydrophobicContact CD1-CB 4.45Å; F402-C405 WeakPolarHBondContact O-CB 3.35Å; F402-C405 PolarHBondContact O-N 3.5Å; T403-C405 VanDerWaalsContact C-N 3.33Å; T403-C405 PolarHBondContact O-N 3.38Å; C405-L408 PolarHBondContact O-N 2.97Å; C405-Q409 WeakPolarHBondContact O-CB 3.26Å; C405-Q409 PolarHBondContact O-N 3.17Å; C405-I465 HydrophobicContact CB-CD1 4.33Å; C405-I465 HydrophobicContact CB-CG2 3.84Å |
| 406 | R | 98.6 | Very high | 98.2 | Very high | 47 Ų | 47 | 50.9 Ų | 50.9 | 18% | 0.177 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.2 | -38.7 | 176.9 | -70.1 | -179.1 | -70.9 | -106 | -0.8 | 112.2 | E399 F402 T403 Q409 T410 L462 I465 D466 | E399-R406 IonicContact OE1-CZ 3.01Å; E399-R406 IonicContact OE1-NH1 3.59Å; E399-R406 PolarHBondContact OE1-NH1 3.28Å; E399-R406 IonicContact OE1-NH2 2.75Å; E399-R406 PolarHBondContact OE1-NH2 3.45Å; F402-R406 WeakPolarHBondContact O-CG 3.41Å; F402-R406 PolarHBondContact O-N 3.45Å; T403-R406 VanDerWaalsContact CA-NH2 3.28Å; T403-R406 WeakPolarHBondContact O-CB 3.36Å; T403-R406 PolarHBondContact O-N 3.3Å; T403-R406 PolarHBondContact OG1-NH2 3.38Å; R406-Q409 PolarHBondContact O-N 3.15Å; R406-T410 PolarHBondContact O-N 2.64Å; R406-T410 PolarHBondContact O-OG1 3.39Å; R406-L462 HydrophobicContact CB-CD2 4.01Å; R406-L462 HydrophobicContact CG-CD2 3.87Å; R406-I465 HydrophobicContact CG-CG2 3.91Å; R406-D466 WeakPolarHBondContact CD-OD1 3.47Å; R406-D466 IonicContact CZ-OD1 2.67Å; R406-D466 IonicContact NH1-OD1 3.32Å; R406-D466 PolarHBondContact NH1-OD1 2.9Å |
| 407 | E | 98.6 | Very high | 98.1 | Very high | 104 Ų | 104 | 47.4 Ų | 47.4 | 49% | 0.486 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.6 | -41.9 | 173.5 | -68.8 | -170.6 | 171 | 0 | 0 | 111.8 | T403 E404 T410 Q411 | T403-E407 PolarHBondContact O-N 2.98Å; E404-E407 PolarHBondContact O-N 3Å; E407-T410 PolarHBondContact O-N 2.87Å; E407-Q411 WeakPolarHBondContact O-CG 3.48Å; E407-Q411 PolarHBondContact O-N 3.22Å |
| 408 | L | 98.5 | Very high | 98.1 | Very high | 18 Ų | 18 | 51.3 Ų | 51.3 | 9% | 0.094 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 175 | -71.3 | 170.1 | 0 | 0 | 0 | 111.9 | F276 K279 Q283 E404 C405 T410 Q411 Y412 | F276-L408 HydrophobicContact CD2-CB 3.98Å; F276-L408 HydrophobicContact CE2-CB 3.81Å; K279-L408 HydrophobicContact CB-CD1 3.75Å; K279-L408 HydrophobicContact CB-CD2 3.91Å; K279-L408 HydrophobicContact CB-CG 4.48Å; K279-L408 HydrophobicContact CD-CD2 3.54Å; K279-L408 HydrophobicContact CG-CD2 4.42Å; Q283-L408 HydrophobicContact CG-CD1 4.02Å; E404-L408 WeakPolarHBondContact O-CB 3.42Å; E404-L408 WeakPolarHBondContact O-CG 3.29Å; E404-L408 PolarHBondContact O-N 2.98Å; C405-L408 PolarHBondContact O-N 2.97Å; L408-T410 VanDerWaalsContact C-N 3.34Å; L408-Q411 PolarHBondContact O-N 2.98Å; L408-Y412 WeakPolarHBondContact O-CB 3.4Å; L408-Y412 PolarHBondContact O-N 3.15Å |
| 409 | Q | 98.3 | Very high | 98 | Very high | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.009 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.7 | -40.8 | 174.9 | 174.6 | 55.1 | 46.1 | 0 | 0 | 111.4 | F276 C405 R406 Y412 H413 N458 H461 L462 I465 | F276-Q409 HydrophobicContact CE2-CB 4.29Å; F276-Q409 HydrophobicContact CZ-CB 4.04Å; C405-Q409 WeakPolarHBondContact O-CB 3.26Å; C405-Q409 PolarHBondContact O-N 3.17Å; R406-Q409 PolarHBondContact O-N 3.15Å; Q409-Y412 WeakPolarHBondContact O-CB 3.31Å; Q409-Y412 PolarHBondContact O-N 3.39Å; Q409-H413 PolarHBondContact O-N 3.43Å; Q409-N458 PolarHBondContact NE2-OD1 2.94Å; Q409-H461 VanDerWaalsContact CD-CB 3.49Å; Q409-H461 HydrophobicContact CG-CB 4.08Å; Q409-H461 PolarHBondContact OE1-ND1 3.24Å; Q409-L462 HydrophobicContact CB-CD2 4.11Å; Q409-L462 HydrophobicContact CG-CD2 3.75Å; Q409-L462 HydrophobicContact CG-CG 3.96Å; Q409-I465 HydrophobicContact CB-CD1 3.93Å; Q409-I465 HydrophobicContact CG-CD1 4.31Å |
| 410 | T | 98.1 | Very high | 97.9 | Very high | 63 Ų | 63 | 51.1 Ų | 51.1 | 39% | 0.387 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.6 | -47.3 | 175.7 | -56.6 | 0 | 0 | 0 | 0 | 111.2 | R406 E407 L408 Y412 H413 E414 | R406-T410 PolarHBondContact O-N 2.64Å; R406-T410 PolarHBondContact O-OG1 3.39Å; E407-T410 PolarHBondContact O-N 2.87Å; L408-T410 VanDerWaalsContact C-N 3.34Å; T410-Y412 VanDerWaalsContact C-N 3.29Å; T410-Y412 PolarHBondContact O-N 3.23Å; T410-H413 PolarHBondContact O-N 3.11Å; T410-E414 WeakPolarHBondContact O-CG 3.18Å; T410-E414 PolarHBondContact O-N 3.28Å |
| 411 | Q | 98 | Very high | 97.7 | Very high | 74 Ų | 74 | 49.4 Ų | 49.4 | 35% | 0.346 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.9 | -36.7 | 176 | -70.9 | 171.3 | 42.8 | 0 | 0 | 112.3 | E407 L408 R415 | E407-Q411 WeakPolarHBondContact O-CG 3.48Å; E407-Q411 PolarHBondContact O-N 3.22Å; L408-Q411 PolarHBondContact O-N 2.98Å; Q411-R415 VanDerWaalsContact O-CG 3.31Å; Q411-R415 WeakPolarHBondContact O-CG 3.25Å; Q411-R415 PolarHBondContact O-N 3.12Å; Q411-R415 VanDerWaalsContact O-N 3.13Å |
| 412 | Y | 98.2 | Very high | 97.5 | Very high | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.7 | -50.1 | 175 | 171 | -111.5 | 0 | 0 | 0 | 110.9 | I273 F276 L408 Q409 T410 E414 R415 L416 | I273-Y412 HydrophobicContact CG1-CE2 3.94Å; F276-Y412 HydrophobicContact CB-CD2 3.74Å; F276-Y412 HydrophobicContact CB-CE2 4.42Å; F276-Y412 HydrophobicContact CB-CG 4.05Å; F276-Y412 AromaticContact CD1-CD1 3.69Å; F276-Y412 HydrophobicContact CD1-CD1 3.69Å; F276-Y412 AromaticContact CD1-CD2 3.84Å; F276-Y412 HydrophobicContact CD1-CD2 3.84Å; F276-Y412 HydrophobicContact CD1-CE1 4.1Å; F276-Y412 HydrophobicContact CD1-CE2 4.24Å; F276-Y412 AromaticContact CD1-CG 3.54Å; F276-Y412 HydrophobicContact CD1-CG 3.54Å; F276-Y412 AromaticContact CE1-CD1 3.93Å; F276-Y412 HydrophobicContact CE1-CD1 3.93Å; F276-Y412 HydrophobicContact CE1-CE1 4.37Å; F276-Y412 HydrophobicContact CE1-CG 4.17Å; F276-Y412 HydrophobicContact CG-CD1 4.41Å; F276-Y412 HydrophobicContact CG-CD2 4.01Å; F276-Y412 AromaticContact CG-CG 3.82Å; F276-Y412 HydrophobicContact CG-CG 3.82Å; L408-Y412 WeakPolarHBondContact O-CB 3.4Å; L408-Y412 PolarHBondContact O-N 3.15Å; Q409-Y412 WeakPolarHBondContact O-CB 3.31Å; Q409-Y412 PolarHBondContact O-N 3.39Å; T410-Y412 VanDerWaalsContact C-N 3.29Å; T410-Y412 PolarHBondContact O-N 3.23Å; Y412-E414 PolarHBondContact O-N 3.41Å; Y412-R415 PolarHBondContact O-N 2.91Å; Y412-L416 HydrophobicContact CD1-CD1 4.35Å; Y412-L416 HydrophobicContact CD2-CD2 4.43Å; Y412-L416 HydrophobicContact CD2-CG 4.32Å; Y412-L416 HydrophobicContact CE1-CD1 3.68Å; Y412-L416 HydrophobicContact CE1-CG 4.28Å; Y412-L416 HydrophobicContact CE2-CD1 4.07Å; Y412-L416 HydrophobicContact CE2-CD2 3.82Å; Y412-L416 HydrophobicContact CE2-CG 3.97Å; Y412-L416 WeakPolarHBondContact O-CG 3.04Å; Y412-L416 PolarHBondContact O-N 3.08Å |
| 413 | H | 98 | Very high | 97.3 | Very high | 42 Ų | 42 | 49.8 Ų | 49.8 | 19% | 0.194 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.6 | -43.5 | 177.1 | 174.7 | 75.3 | 0 | 0 | 0 | 112.9 | Q409 T410 R415 L416 T417 L454 N458 | Q409-H413 PolarHBondContact O-N 3.43Å; T410-H413 PolarHBondContact O-N 3.11Å; H413-R415 PolarHBondContact O-N 3.32Å; H413-L416 PolarHBondContact O-N 2.88Å; H413-T417 WeakPolarHBondContact O-CB 3.49Å; H413-T417 PolarHBondContact O-N 2.8Å; H413-T417 PolarHBondContact O-OG1 2.97Å; H413-L454 PolarHBondContact CE1-O 3.12Å; H413-L454 PolarHBondContact ND1-O 3.04Å; H413-N458 HydrophobicContact CB-CB 4.23Å; H413-N458 WeakPolarHBondContact CB-OD1 3.42Å |
| 414 | E | 98.1 | Very high | 97.1 | Very high | 112 Ų | 112 | 48.3 Ų | 48.3 | 52% | 0.523 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.2 | -46.5 | 175.5 | -73.5 | 177.7 | 171.5 | 0 | 0 | 111.5 | T410 Y412 L416 T417 D418 | T410-E414 WeakPolarHBondContact O-CG 3.18Å; T410-E414 PolarHBondContact O-N 3.28Å; Y412-E414 PolarHBondContact O-N 3.41Å; E414-L416 PolarHBondContact O-N 2.65Å; E414-T417 WeakPolarHBondContact O-CB 3.3Å; E414-T417 PolarHBondContact O-N 3.46Å; E414-D418 PolarHBondContact O-N 3.37Å |
| 415 | R | 97.4 | Very high | 96.8 | Very high | 90 Ų | 90 | 51 Ų | 51 | 34% | 0.34 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.4 | -40.6 | 177.1 | -73.7 | 179.4 | -172.8 | -173.1 | 6.3 | 112.6 | F275 Q411 Y412 H413 T417 D418 L419 | F275-R415 VanDerWaalsContact CE1-NH2 3.26Å; Q411-R415 VanDerWaalsContact O-CG 3.31Å; Q411-R415 WeakPolarHBondContact O-CG 3.25Å; Q411-R415 PolarHBondContact O-N 3.12Å; Q411-R415 VanDerWaalsContact O-N 3.13Å; Y412-R415 PolarHBondContact O-N 2.91Å; H413-R415 PolarHBondContact O-N 3.32Å; R415-T417 VanDerWaalsContact C-N 3.33Å; R415-D418 PolarHBondContact O-N 2.99Å; R415-L419 VanDerWaalsContact O-CG 3.26Å; R415-L419 WeakPolarHBondContact O-CG 3.19Å; R415-L419 PolarHBondContact O-N 3.02Å; R415-L419 VanDerWaalsContact O-N 3.12Å |
| 416 | L | 97.2 | Very high | 96.5 | Very high | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.016 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.6 | -43.2 | 175.8 | -65.6 | -165.8 | 0 | 0 | 0 | 111 | L263 L269 Y412 H413 E414 D418 L419 C420 L454 | L263-L416 HydrophobicContact CD1-CD1 4.39Å; L269-L416 HydrophobicContact CB-CD2 4.28Å; L269-L416 HydrophobicContact CD1-CD2 4.01Å; L269-L416 HydrophobicContact CD2-CD2 3.73Å; L269-L416 HydrophobicContact CG-CD2 4.21Å; Y412-L416 HydrophobicContact CD1-CD1 4.35Å; Y412-L416 HydrophobicContact CD2-CD2 4.43Å; Y412-L416 HydrophobicContact CD2-CG 4.32Å; Y412-L416 HydrophobicContact CE1-CD1 3.68Å; Y412-L416 HydrophobicContact CE1-CG 4.28Å; Y412-L416 HydrophobicContact CE2-CD1 4.07Å; Y412-L416 HydrophobicContact CE2-CD2 3.82Å; Y412-L416 HydrophobicContact CE2-CG 3.97Å; Y412-L416 WeakPolarHBondContact O-CG 3.04Å; Y412-L416 PolarHBondContact O-N 3.08Å; H413-L416 PolarHBondContact O-N 2.88Å; E414-L416 PolarHBondContact O-N 2.65Å; L416-D418 VanDerWaalsContact C-N 3.27Å; L416-D418 PolarHBondContact O-N 3.35Å; L416-L419 PolarHBondContact O-N 3.49Å; L416-L419 VanDerWaalsContact O-N 3.16Å; L416-C420 WeakPolarHBondContact O-CB 3.45Å; L416-C420 PolarHBondContact O-N 2.82Å; L416-C420 PolarHBondContact O-SG 3.45Å; L416-L454 HydrophobicContact CB-CD2 3.67Å; L416-L454 HydrophobicContact CD1-CD2 3.72Å; L416-L454 HydrophobicContact CG-CD2 4.39Å |
| 417 | T | 97.2 | Very high | 96.1 | Very high | 59 Ų | 59 | 53.4 Ų | 53.4 | 36% | 0.362 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.1 | -35.9 | 178.2 | -58.9 | 0 | 0 | 0 | 0 | 112 | H413 E414 R415 P421 | H413-T417 WeakPolarHBondContact O-CB 3.49Å; H413-T417 PolarHBondContact O-N 2.8Å; H413-T417 PolarHBondContact O-OG1 2.97Å; E414-T417 WeakPolarHBondContact O-CB 3.3Å; E414-T417 PolarHBondContact O-N 3.46Å; R415-T417 VanDerWaalsContact C-N 3.33Å; T417-P421 WeakPolarHBondContact O-CD 3.39Å |
| 418 | D | 96.9 | Very high | 95.7 | Very high | 134 Ų | 134 | 55 Ų | 55 | 72% | 0.717 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -72 | -34.1 | 175.5 | -76 | -17.4 | 0 | 0 | 0 | 113.3 | E414 R415 L416 | E414-D418 PolarHBondContact O-N 3.37Å; R415-D418 PolarHBondContact O-N 2.99Å; L416-D418 VanDerWaalsContact C-N 3.27Å; L416-D418 PolarHBondContact O-N 3.35Å |
| 419 | L | 96.7 | Very high | 95.3 | Very high | 69 Ų | 69 | 63 Ų | 63 | 36% | 0.361 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -84.6 | -36 | -176.6 | -69.1 | 171.5 | 0 | 0 | 0 | 113.2 | L269 R415 L416 P421 G422 I423 | L269-L419 HydrophobicContact CD2-CB 3.9Å; L269-L419 HydrophobicContact CD2-CD1 3.91Å; R415-L419 VanDerWaalsContact O-CG 3.26Å; R415-L419 WeakPolarHBondContact O-CG 3.19Å; R415-L419 PolarHBondContact O-N 3.02Å; R415-L419 VanDerWaalsContact O-N 3.12Å; L416-L419 PolarHBondContact O-N 3.49Å; L416-L419 VanDerWaalsContact O-N 3.16Å; L419-P421 VanDerWaalsContact C-CD 3.44Å; L419-G422 PolarHBondContact O-N 3.43Å; L419-I423 HydrophobicContact CB-CD1 4.44Å; L419-I423 PolarHBondContact O-N 2.84Å |
| 420 | C | 95.8 | Very high | 94.7 | Very high | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.014 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.4 | -31.5 | -172.6 | -73 | 0 | 0 | 0 | 0 | 115.8 | L416 G422 I423 L424 F444 V450 L454 | L416-C420 WeakPolarHBondContact O-CB 3.45Å; L416-C420 PolarHBondContact O-N 2.82Å; L416-C420 PolarHBondContact O-SG 3.45Å; C420-G422 VanDerWaalsContact C-N 3.31Å; C420-G422 PolarHBondContact O-N 3.19Å; C420-I423 PolarHBondContact O-N 2.89Å; C420-I423 VanDerWaalsContact O-N 3.16Å; C420-L424 WeakPolarHBondContact O-CB 3.4Å; C420-L424 PolarHBondContact O-N 2.93Å; C420-F444 HydrophobicContact CB-CE1 4.26Å; C420-V450 HydrophobicContact CB-CG1 3.55Å; C420-L454 HydrophobicContact CB-CD1 4.14Å |
| 421 | P | 94.7 | Very high | 94 | Very high | 67 Ų | 67 | 68 Ų | 68 | 44% | 0.435 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.2 | -40.9 | 174 | -27.5 | 35.4 | 0 | 0 | 0 | 113.1 | T417 L419 I423 E425 | T417-P421 WeakPolarHBondContact O-CD 3.39Å; L419-P421 VanDerWaalsContact C-CD 3.44Å; P421-I423 VanDerWaalsContact C-N 3.34Å; P421-E425 PolarHBondContact O-N 3.41Å; P421-E425 VanDerWaalsContact O-N 3.16Å |
| 422 | G | 93.2 | Very high | 93.1 | Very high | 43 Ų | 43 | 67.9 Ų | 67.9 | 44% | 0.443 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -68.2 | -34.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L419 C420 R426 | L419-G422 PolarHBondContact O-N 3.43Å; C420-G422 VanDerWaalsContact C-N 3.31Å; C420-G422 PolarHBondContact O-N 3.19Å; G422-R426 PolarHBondContact O-N 2.89Å |
| 423 | I | 93.8 | Very high | 91.9 | Very high | 4 Ų | 4 | 74.9 Ų | 74.9 | 2% | 0.021 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -70.3 | -45.6 | 177 | -59.1 | 167.6 | 0 | 0 | 0 | 110.1 | V266 E268 L269 L419 C420 P421 E425 R426 F427 F444 | V266-I423 HydrophobicContact CG1-CD1 3.98Å; V266-I423 HydrophobicContact CG1-CG2 4.15Å; E268-I423 HydrophobicContact CB-CD1 3.79Å; E268-I423 HydrophobicContact CB-CG1 4Å; E268-I423 HydrophobicContact CG-CG1 4.25Å; L269-I423 HydrophobicContact CD1-CD1 4.49Å; L269-I423 HydrophobicContact CD2-CD1 3.56Å; L269-I423 HydrophobicContact CG-CD1 3.93Å; L419-I423 HydrophobicContact CB-CD1 4.44Å; L419-I423 PolarHBondContact O-N 2.84Å; C420-I423 PolarHBondContact O-N 2.89Å; C420-I423 VanDerWaalsContact O-N 3.16Å; P421-I423 VanDerWaalsContact C-N 3.34Å; I423-E425 VanDerWaalsContact C-N 3.31Å; I423-E425 PolarHBondContact O-N 2.9Å; I423-R426 WeakPolarHBondContact O-CB 3.41Å; I423-R426 PolarHBondContact O-N 3.39Å; I423-F427 HydrophobicContact CG2-CD2 3.72Å; I423-F427 HydrophobicContact CG2-CE2 3.63Å; I423-F427 WeakPolarHBondContact O-CD2 3.08Å; I423-F427 PolarHBondContact O-N 3.02Å; I423-F444 HydrophobicContact CB-CE1 3.84Å; I423-F444 HydrophobicContact CB-CZ 4.19Å; I423-F444 HydrophobicContact CG2-CD1 4.12Å; I423-F444 HydrophobicContact CG2-CE1 3.53Å; I423-F444 HydrophobicContact CG2-CE2 4.18Å; I423-F444 HydrophobicContact CG2-CZ 3.57Å |
| 424 | L | 94.6 | Very high | 91 | Very high | 17 Ų | 17 | 77.1 Ų | 77.1 | 9% | 0.089 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -54.9 | -45.3 | 175.5 | 178.8 | 63.2 | 0 | 0 | 0 | 111.6 | C420 R426 F427 M428 F444 K447 V450 | C420-L424 WeakPolarHBondContact O-CB 3.4Å; C420-L424 PolarHBondContact O-N 2.93Å; L424-R426 VanDerWaalsContact C-N 3.26Å; L424-R426 PolarHBondContact O-N 3.46Å; L424-F427 PolarHBondContact O-N 2.72Å; L424-M428 HydrophobicContact CD1-CG 4.31Å; L424-M428 HydrophobicContact CG-CG 4.48Å; L424-M428 HydrophobicContact CG-SD 4.31Å; L424-M428 VanDerWaalsContact O-CG 3.31Å; L424-M428 WeakPolarHBondContact O-CG 3.41Å; L424-M428 PolarHBondContact O-N 3.22Å; L424-F444 HydrophobicContact CB-CD1 4.08Å; L424-F444 HydrophobicContact CD1-CB 4.21Å; L424-F444 HydrophobicContact CD1-CD1 4.28Å; L424-F444 VanDerWaalsContact CD1-O 3.27Å; L424-F444 WeakPolarHBondContact CD1-O 3.49Å; L424-K447 HydrophobicContact CD2-CB 4.17Å; L424-V450 HydrophobicContact CD1-CG2 4.19Å; L424-V450 HydrophobicContact CD2-CG2 4.45Å |
| 425 | E | 93.5 | Very high | 90.4 | Very high | 115 Ų | 115 | 80.8 Ų | 80.8 | 54% | 0.537 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -59.4 | -34 | 176.6 | -75.6 | -173.3 | -166.9 | 0 | 0 | 113.4 | P421 I423 R429 | P421-E425 PolarHBondContact O-N 3.41Å; P421-E425 VanDerWaalsContact O-N 3.16Å; I423-E425 VanDerWaalsContact C-N 3.31Å; I423-E425 PolarHBondContact O-N 2.9Å; E425-R429 WeakPolarHBondContact O-CG 3.27Å; E425-R429 PolarHBondContact O-N 3.26Å |
| 426 | R | 90.6 | Very high | 89.9 | Confident | 71 Ų | 71 | 77.6 Ų | 77.6 | 27% | 0.268 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -73.6 | -43 | 175.5 | -66.8 | -172.1 | 74.8 | -154.9 | -3 | 111.8 | E268 G422 I423 L424 M428 R429 S430 D431 | E268-R426 IonicContact OE1-CZ 3.33Å; E268-R426 IonicContact OE1-NH1 3.61Å; E268-R426 PolarHBondContact OE1-NH1 3.19Å; G422-R426 PolarHBondContact O-N 2.89Å; I423-R426 WeakPolarHBondContact O-CB 3.41Å; I423-R426 PolarHBondContact O-N 3.39Å; L424-R426 VanDerWaalsContact C-N 3.26Å; L424-R426 PolarHBondContact O-N 3.46Å; R426-M428 VanDerWaalsContact C-N 3.31Å; R426-M428 PolarHBondContact O-N 3.41Å; R426-R429 CarbonylContact O-C 3.51Å; R426-R429 WeakPolarHBondContact O-CA 3.42Å; R426-R429 PolarHBondContact O-N 3Å; R426-S430 PolarHBondContact O-N 2.98Å; R426-D431 IonicContact CZ-OD2 3.01Å; R426-D431 IonicContact NE-OD2 2.67Å; R426-D431 PolarHBondContact NE-OD2 3.39Å; R426-D431 IonicContact NH2-OD1 3.89Å; R426-D431 IonicContact NH2-OD2 3.99Å; R426-D431 PolarHBondContact NH2-OD2 3.39Å; R426-D431 PolarHBondContact O-N 3.28Å; R426-D431 VanDerWaalsContact O-N 3.13Å |
| 427 | F | 90.8 | Very high | 89.7 | Confident | 29 Ų | 29 | 79.6 Ų | 79.6 | 13% | 0.127 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -59.4 | -42.6 | 176 | -89.6 | -110.4 | 0 | 0 | 0 | 111.5 | I423 L424 R429 S430 F432 P436 L440 L441 F444 | I423-F427 HydrophobicContact CG2-CD2 3.72Å; I423-F427 HydrophobicContact CG2-CE2 3.63Å; I423-F427 WeakPolarHBondContact O-CD2 3.08Å; I423-F427 PolarHBondContact O-N 3.02Å; L424-F427 PolarHBondContact O-N 2.72Å; F427-R429 PolarHBondContact O-N 3.42Å; F427-S430 PolarHBondContact O-N 2.99Å; F427-F432 HydrophobicContact CB-CE1 4.27Å; F427-F432 HydrophobicContact CD1-CD1 4.44Å; F427-F432 AromaticContact CD1-CE1 3.59Å; F427-F432 HydrophobicContact CD1-CE1 3.59Å; F427-F432 HydrophobicContact CD1-CZ 4.43Å; F427-F432 HydrophobicContact CD2-CE1 4.37Å; F427-F432 HydrophobicContact CE1-CD1 4.43Å; F427-F432 AromaticContact CE1-CE1 3.92Å; F427-F432 HydrophobicContact CE1-CE1 3.92Å; F427-F432 AromaticContact CG-CE1 3.84Å; F427-F432 HydrophobicContact CG-CE1 3.84Å; F427-F432 HydrophobicContact CZ-CE1 4.46Å; F427-P436 HydrophobicContact CE1-CB 4.07Å; F427-P436 HydrophobicContact CE1-CG 4.38Å; F427-L440 HydrophobicContact CE1-CD2 4.24Å; F427-L440 HydrophobicContact CE1-CG 3.97Å; F427-L440 HydrophobicContact CZ-CD2 3.93Å; F427-L440 HydrophobicContact CZ-CG 4.01Å; F427-L441 HydrophobicContact CD1-CD2 4.27Å; F427-L441 HydrophobicContact CE1-CD2 4.49Å; F427-F444 HydrophobicContact CB-CB 3.86Å; F427-F444 HydrophobicContact CD1-CB 3.5Å; F427-F444 HydrophobicContact CD1-CD2 4.16Å; F427-F444 HydrophobicContact CD1-CG 4.03Å; F427-F444 HydrophobicContact CD2-CB 4.39Å; F427-F444 HydrophobicContact CD2-CD2 4.45Å; F427-F444 HydrophobicContact CD2-CG 4.25Å; F427-F444 HydrophobicContact CE1-CB 4.14Å; F427-F444 AromaticContact CE1-CD2 3.97Å; F427-F444 HydrophobicContact CE1-CD2 3.97Å; F427-F444 HydrophobicContact CE1-CG 4.31Å; F427-F444 HydrophobicContact CE2-CD2 4.26Å; F427-F444 HydrophobicContact CE2-CG 4.5Å; F427-F444 HydrophobicContact CG-CB 3.65Å; F427-F444 HydrophobicContact CG-CD2 4.41Å; F427-F444 HydrophobicContact CG-CG 4Å; F427-F444 HydrophobicContact CZ-CD2 4.02Å; F427-F444 HydrophobicContact CZ-CE2 4.49Å |
| 428 | M | 90.3 | Very high | 89.5 | Confident | 136 Ų | 136 | 83.7 Ų | 83.7 | 67% | 0.67 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -63 | -24.6 | 174.5 | -69.7 | -177.1 | 77.5 | 0 | 0 | 113.7 | L424 R426 | L424-M428 HydrophobicContact CD1-CG 4.31Å; L424-M428 HydrophobicContact CG-CG 4.48Å; L424-M428 HydrophobicContact CG-SD 4.31Å; L424-M428 VanDerWaalsContact O-CG 3.31Å; L424-M428 WeakPolarHBondContact O-CG 3.41Å; L424-M428 PolarHBondContact O-N 3.22Å; R426-M428 VanDerWaalsContact C-N 3.31Å; R426-M428 PolarHBondContact O-N 3.41Å |
| 429 | R | 90.1 | Very high | 89.4 | Confident | 188 Ų | 188 | 79.4 Ų | 79.4 | 71% | 0.709 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -0 | 174.8 | -67.7 | 176.4 | -168.4 | -178.8 | 9.5 | 113.4 | E425 R426 F427 D431 | E425-R429 WeakPolarHBondContact O-CG 3.27Å; E425-R429 PolarHBondContact O-N 3.26Å; R426-R429 CarbonylContact O-C 3.51Å; R426-R429 WeakPolarHBondContact O-CA 3.42Å; R426-R429 PolarHBondContact O-N 3Å; F427-R429 PolarHBondContact O-N 3.42Å; R429-D431 HydrophobicContact CB-CB 4.41Å; R429-D431 PolarHBondContact O-N 2.99Å |
| 430 | S | 84.9 | Confident | 89.3 | Confident | 84 Ų | 84 | 76.6 Ų | 76.6 | 59% | 0.587 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 31.6 | -171.5 | -50.9 | 0 | 0 | 0 | 0 | 113.5 | R426 F427 F432 | R426-S430 PolarHBondContact O-N 2.98Å; F427-S430 PolarHBondContact O-N 2.99Å; S430-F432 VanDerWaalsContact CA-CE2 3.47Å; S430-F432 WeakPolarHBondContact O-CD2 3.44Å; S430-F432 PolarHBondContact O-N 2.93Å; S430-F432 VanDerWaalsContact O-N 3.16Å |
| 431 | D | 84.6 | Confident | 89.1 | Confident | 85 Ų | 85 | 79.7 Ų | 79.7 | 46% | 0.455 | 42% | 0.423 | S | S | . | . | trans | -87.8 | 74.6 | 179.4 | 179 | 32.7 | 0 | 0 | 0 | 110.4 | R426 R429 | R426-D431 IonicContact CZ-OD2 3.01Å; R426-D431 IonicContact NE-OD2 2.67Å; R426-D431 PolarHBondContact NE-OD2 3.39Å; R426-D431 IonicContact NH2-OD1 3.89Å; R426-D431 IonicContact NH2-OD2 3.99Å; R426-D431 PolarHBondContact NH2-OD2 3.39Å; R426-D431 PolarHBondContact O-N 3.28Å; R426-D431 VanDerWaalsContact O-N 3.13Å; R429-D431 HydrophobicContact CB-CB 4.41Å; R429-D431 PolarHBondContact O-N 2.99Å | ||
| 432 | F | 78.8 | Confident | 89.1 | Confident | 72 Ų | 72 | 78.9 Ų | 78.9 | 32% | 0.316 | 42% | 0.422 | S | S | . | . | trans | -98.8 | 136.3 | -175.6 | -50.2 | -61.3 | 0 | 0 | 0 | 112.2 | F427 S430 S434 P436 L441 | F427-F432 HydrophobicContact CB-CE1 4.27Å; F427-F432 HydrophobicContact CD1-CD1 4.44Å; F427-F432 AromaticContact CD1-CE1 3.59Å; F427-F432 HydrophobicContact CD1-CE1 3.59Å; F427-F432 HydrophobicContact CD1-CZ 4.43Å; F427-F432 HydrophobicContact CD2-CE1 4.37Å; F427-F432 HydrophobicContact CE1-CD1 4.43Å; F427-F432 AromaticContact CE1-CE1 3.92Å; F427-F432 HydrophobicContact CE1-CE1 3.92Å; F427-F432 AromaticContact CG-CE1 3.84Å; F427-F432 HydrophobicContact CG-CE1 3.84Å; F427-F432 HydrophobicContact CZ-CE1 4.46Å; S430-F432 VanDerWaalsContact CA-CE2 3.47Å; S430-F432 WeakPolarHBondContact O-CD2 3.44Å; S430-F432 PolarHBondContact O-N 2.93Å; S430-F432 VanDerWaalsContact O-N 3.16Å; F432-S434 WeakPolarHBondContact CB-O 3.48Å; F432-P436 HydrophobicContact CD1-CG 3.99Å; F432-P436 HydrophobicContact CD2-CG 4.47Å; F432-P436 HydrophobicContact CE1-CG 3.91Å; F432-P436 HydrophobicContact CE2-CG 4.38Å; F432-P436 HydrophobicContact CG-CG 4.28Å; F432-P436 HydrophobicContact CZ-CG 4.11Å; F432-L441 HydrophobicContact CE1-CD2 4.42Å; F432-L441 HydrophobicContact CZ-CD2 4.02Å | ||
| 433 | Q | 72.5 | Confident | 89.2 | Confident | 150 Ų | 150 | 77.2 Ų | 77.2 | 70% | 0.701 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -75.2 | -31.4 | 168.1 | -67.4 | -175.4 | -1.4 | 0 | 0 | 112 | ||
| 434 | S | 78.9 | Confident | 89.2 | Confident | 90 Ų | 90 | 77.3 Ų | 77.3 | 63% | 0.629 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -145.5 | 153.5 | 177.4 | 54.4 | 0 | 0 | 0 | 0 | 109.6 | F432 P436 | F432-S434 WeakPolarHBondContact CB-O 3.48Å; S434-P436 VanDerWaalsContact O-CD 3.26Å; S434-P436 WeakPolarHBondContact O-CD 3.43Å; S434-P436 VanDerWaalsContact O-N 3.16Å |
| 435 | E | 85.6 | Confident | 89.2 | Confident | 189 Ų | 189 | 81.6 Ų | 81.6 | 88% | 0.883 | 43% | 0.425 | S | S | * | . | trans | -60.4 | 115.3 | 178.6 | -167.8 | 165.6 | -160.1 | 0 | 0 | 110.3 | ||||
| 436 | P | 88.1 | Confident | 89.2 | Confident | 22 Ų | 22 | 79.2 Ų | 79.2 | 14% | 0.143 | 42% | 0.416 | C | S | . | . | trans | -74.1 | 155.5 | -178.9 | 30.7 | -34.7 | 0 | 0 | 0 | 111.2 | F427 F432 S434 L440 L441 | F427-P436 HydrophobicContact CE1-CB 4.07Å; F427-P436 HydrophobicContact CE1-CG 4.38Å; F432-P436 HydrophobicContact CD1-CG 3.99Å; F432-P436 HydrophobicContact CD2-CG 4.47Å; F432-P436 HydrophobicContact CE1-CG 3.91Å; F432-P436 HydrophobicContact CE2-CG 4.38Å; F432-P436 HydrophobicContact CG-CG 4.28Å; F432-P436 HydrophobicContact CZ-CG 4.11Å; S434-P436 VanDerWaalsContact O-CD 3.26Å; S434-P436 WeakPolarHBondContact O-CD 3.43Å; S434-P436 VanDerWaalsContact O-N 3.16Å; P436-L440 HydrophobicContact CB-CB 4.47Å; P436-L440 HydrophobicContact CB-CD2 3.96Å; P436-L440 HydrophobicContact CB-CG 4.42Å; P436-L441 HydrophobicContact CB-CD2 4.33Å; P436-L441 HydrophobicContact CB-CG 4.2Å; P436-L441 HydrophobicContact CG-CD1 4.22Å; P436-L441 HydrophobicContact CG-CD2 3.58Å; P436-L441 HydrophobicContact CG-CG 3.76Å | ||
| 437 | S | 92.4 | Very high | 89.5 | Confident | 46 Ų | 46 | 83.4 Ų | 83.4 | 32% | 0.322 | 44% | 0.436 | S | S | . | . | trans | -67.8 | 156.9 | 173.2 | 69.9 | 0 | 0 | 0 | 0 | 111 | E262 A439 L440 L441 | E262-S437 PolarHBondContact OE2-OG 2.72Å; S437-A439 PolarHBondContact O-N 2.87Å; S437-L440 PolarHBondContact O-N 2.93Å; S437-L440 WeakPolarHBondContact OG-CB 3.42Å; S437-L440 PolarHBondContact OG-N 3.26Å; S437-L441 WeakPolarHBondContact O-CG 3.47Å; S437-L441 PolarHBondContact O-N 3.45Å | ||
| 438 | D | 93 | Very high | 89.8 | Confident | 144 Ų | 144 | 88.6 Ų | 88.6 | 77% | 0.77 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -58.5 | -32.8 | 173 | -70.9 | -24.3 | 0 | 0 | 0 | 111.8 | A442 | D438-A442 WeakPolarHBondContact O-CB 3.41Å; D438-A442 PolarHBondContact O-N 3.45Å |
| 439 | A | 93.9 | Very high | 90.1 | Very high | 45 Ų | 45 | 83.7 Ų | 83.7 | 37% | 0.372 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -70.6 | -44.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | E262 S437 L441 A442 I443 | E262-A439 HydrophobicContact CG-CB 3.84Å; S437-A439 PolarHBondContact O-N 2.87Å; A439-L441 VanDerWaalsContact C-N 3.33Å; A439-L441 PolarHBondContact O-N 3.47Å; A439-A442 WeakPolarHBondContact O-CB 3.45Å; A439-A442 PolarHBondContact O-N 2.9Å; A439-A442 VanDerWaalsContact O-N 3.09Å; A439-I443 PolarHBondContact O-N 3.01Å; A439-I443 VanDerWaalsContact O-N 3.12Å |
| 440 | L | 94.5 | Very high | 90.4 | Very high | 10 Ų | 10 | 75.1 Ų | 75.1 | 5% | 0.052 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65.3 | -37.9 | 175.4 | -175.4 | 61.5 | 0 | 0 | 0 | 111.7 | E262 V265 V266 F427 P436 S437 A442 I443 F444 | E262-L440 HydrophobicContact CB-CB 4.37Å; E262-L440 HydrophobicContact CB-CD1 4.17Å; V265-L440 HydrophobicContact CG2-CD2 4.19Å; V266-L440 HydrophobicContact CG2-CD1 3.85Å; V266-L440 HydrophobicContact CG2-CD2 4.28Å; F427-L440 HydrophobicContact CE1-CD2 4.24Å; F427-L440 HydrophobicContact CE1-CG 3.97Å; F427-L440 HydrophobicContact CZ-CD2 3.93Å; F427-L440 HydrophobicContact CZ-CG 4.01Å; P436-L440 HydrophobicContact CB-CB 4.47Å; P436-L440 HydrophobicContact CB-CD2 3.96Å; P436-L440 HydrophobicContact CB-CG 4.42Å; S437-L440 PolarHBondContact O-N 2.93Å; S437-L440 WeakPolarHBondContact OG-CB 3.42Å; S437-L440 PolarHBondContact OG-N 3.26Å; L440-A442 VanDerWaalsContact C-N 3.27Å; L440-A442 PolarHBondContact O-N 3.43Å; L440-I443 PolarHBondContact O-N 3.19Å; L440-F444 HydrophobicContact CD1-CD2 3.81Å; L440-F444 HydrophobicContact CD1-CE2 3.71Å; L440-F444 HydrophobicContact CG-CD2 4.34Å; L440-F444 PolarHBondContact O-N 3.22Å |
| 441 | L | 93.1 | Very high | 91 | Very high | 67 Ų | 67 | 74.2 Ų | 74.2 | 35% | 0.351 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.7 | -38.5 | 171.4 | -75 | 174 | 0 | 0 | 0 | 111.6 | F427 F432 P436 S437 A439 I443 F444 I445 | F427-L441 HydrophobicContact CD1-CD2 4.27Å; F427-L441 HydrophobicContact CE1-CD2 4.49Å; F432-L441 HydrophobicContact CE1-CD2 4.42Å; F432-L441 HydrophobicContact CZ-CD2 4.02Å; P436-L441 HydrophobicContact CB-CD2 4.33Å; P436-L441 HydrophobicContact CB-CG 4.2Å; P436-L441 HydrophobicContact CG-CD1 4.22Å; P436-L441 HydrophobicContact CG-CD2 3.58Å; P436-L441 HydrophobicContact CG-CG 3.76Å; S437-L441 WeakPolarHBondContact O-CG 3.47Å; S437-L441 PolarHBondContact O-N 3.45Å; A439-L441 VanDerWaalsContact C-N 3.33Å; A439-L441 PolarHBondContact O-N 3.47Å; L441-I443 VanDerWaalsContact C-N 3.33Å; L441-F444 CarbonylContact O-C 3.56Å; L441-F444 PolarHBondContact O-N 2.99Å; L441-I445 WeakPolarHBondContact O-CG1 3.47Å; L441-I445 PolarHBondContact O-N 3.06Å |
| 442 | A | 93.9 | Very high | 91.6 | Very high | 50 Ų | 50 | 74.7 Ų | 74.7 | 41% | 0.413 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.1 | -34.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | D438 A439 L440 I445 | D438-A442 WeakPolarHBondContact O-CB 3.41Å; D438-A442 PolarHBondContact O-N 3.45Å; A439-A442 WeakPolarHBondContact O-CB 3.45Å; A439-A442 PolarHBondContact O-N 2.9Å; A439-A442 VanDerWaalsContact O-N 3.09Å; L440-A442 VanDerWaalsContact C-N 3.27Å; L440-A442 PolarHBondContact O-N 3.43Å; A442-I445 HydrophobicContact CB-CD1 4.44Å; A442-I445 WeakPolarHBondContact O-CG1 3.48Å |
| 443 | I | 95 | Very high | 92.4 | Very high | 7 Ų | 7 | 71.5 Ų | 71.5 | 4% | 0.036 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66.2 | -46.8 | 174.6 | -65.7 | 169.8 | 0 | 0 | 0 | 110.6 | D259 E262 L263 A439 L440 L441 I445 S449 V450 A453 | D259-I443 HydrophobicContact CB-CD1 4.11Å; E262-I443 HydrophobicContact CB-CD1 3.71Å; E262-I443 HydrophobicContact CG-CD1 4.31Å; L263-I443 HydrophobicContact CD2-CG2 4.33Å; A439-I443 PolarHBondContact O-N 3.01Å; A439-I443 VanDerWaalsContact O-N 3.12Å; L440-I443 PolarHBondContact O-N 3.19Å; L441-I443 VanDerWaalsContact C-N 3.33Å; I443-I445 PolarHBondContact O-N 2.97Å; I443-S449 CarbonylContact O-C 3.57Å; I443-S449 WeakPolarHBondContact O-CB 3.34Å; I443-V450 WeakPolarHBondContact O-CG2 3.38Å; I443-V450 PolarHBondContact O-N 3.23Å; I443-A453 HydrophobicContact CB-CB 4.46Å; I443-A453 HydrophobicContact CG1-CB 4.09Å; I443-A453 HydrophobicContact CG2-CB 3.78Å |
| 444 | F | 95.1 | Very high | 93.6 | Very high | 7 Ų | 7 | 64.7 Ų | 64.7 | 3% | 0.031 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 34.3 | -175.9 | -70.8 | -78.1 | 0 | 0 | 0 | 114.2 | L263 V266 C420 I423 L424 F427 L440 L441 V450 | L263-F444 HydrophobicContact CD2-CE2 3.98Å; L263-F444 HydrophobicContact CD2-CZ 4.09Å; V266-F444 HydrophobicContact CG2-CE2 4.35Å; C420-F444 HydrophobicContact CB-CE1 4.26Å; I423-F444 HydrophobicContact CB-CE1 3.84Å; I423-F444 HydrophobicContact CB-CZ 4.19Å; I423-F444 HydrophobicContact CG2-CD1 4.12Å; I423-F444 HydrophobicContact CG2-CE1 3.53Å; I423-F444 HydrophobicContact CG2-CE2 4.18Å; I423-F444 HydrophobicContact CG2-CZ 3.57Å; L424-F444 HydrophobicContact CB-CD1 4.08Å; L424-F444 HydrophobicContact CD1-CB 4.21Å; L424-F444 HydrophobicContact CD1-CD1 4.28Å; L424-F444 VanDerWaalsContact CD1-O 3.27Å; L424-F444 WeakPolarHBondContact CD1-O 3.49Å; F427-F444 HydrophobicContact CB-CB 3.86Å; F427-F444 HydrophobicContact CD1-CB 3.5Å; F427-F444 HydrophobicContact CD1-CD2 4.16Å; F427-F444 HydrophobicContact CD1-CG 4.03Å; F427-F444 HydrophobicContact CD2-CB 4.39Å; F427-F444 HydrophobicContact CD2-CD2 4.45Å; F427-F444 HydrophobicContact CD2-CG 4.25Å; F427-F444 HydrophobicContact CE1-CB 4.14Å; F427-F444 AromaticContact CE1-CD2 3.97Å; F427-F444 HydrophobicContact CE1-CD2 3.97Å; F427-F444 HydrophobicContact CE1-CG 4.31Å; F427-F444 HydrophobicContact CE2-CD2 4.26Å; F427-F444 HydrophobicContact CE2-CG 4.5Å; F427-F444 HydrophobicContact CG-CB 3.65Å; F427-F444 HydrophobicContact CG-CD2 4.41Å; F427-F444 HydrophobicContact CG-CG 4Å; F427-F444 HydrophobicContact CZ-CD2 4.02Å; F427-F444 HydrophobicContact CZ-CE2 4.49Å; L440-F444 HydrophobicContact CD1-CD2 3.81Å; L440-F444 HydrophobicContact CD1-CE2 3.71Å; L440-F444 HydrophobicContact CG-CD2 4.34Å; L440-F444 PolarHBondContact O-N 3.22Å; L441-F444 CarbonylContact O-C 3.56Å; L441-F444 PolarHBondContact O-N 2.99Å; F444-V450 HydrophobicContact CD1-CG2 3.58Å; F444-V450 HydrophobicContact CE1-CG2 3.96Å; F444-V450 HydrophobicContact CG-CG2 4.26Å |
| 445 | I | 92.9 | Very high | 94.5 | Very high | 106 Ų | 106 | 63.1 Ų | 63.1 | 54% | 0.544 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -49.5 | 172.8 | -65.4 | 178 | 0 | 0 | 0 | 110.8 | L441 A442 I443 | L441-I445 WeakPolarHBondContact O-CG1 3.47Å; L441-I445 PolarHBondContact O-N 3.06Å; A442-I445 HydrophobicContact CB-CD1 4.44Å; A442-I445 WeakPolarHBondContact O-CG1 3.48Å; I443-I445 PolarHBondContact O-N 2.97Å |
| 446 | D | 95.1 | Very high | 95.1 | Very high | 66 Ų | 66 | 56.3 Ų | 56.3 | 35% | 0.353 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -154 | 173.3 | -176.4 | 59.9 | 47.3 | 0 | 0 | 0 | 111.1 | E448 S449 V450 | D446-E448 VanDerWaalsContact C-N 3.27Å; D446-E448 PolarHBondContact O-N 3.34Å; D446-E448 WeakPolarHBondContact OD1-CB 3.49Å; D446-E448 PolarHBondContact OD1-N 3.07Å; D446-E448 VanDerWaalsContact OD1-N 3.08Å; D446-S449 PolarHBondContact O-N 2.87Å; D446-S449 WeakPolarHBondContact OD1-CB 3.32Å; D446-S449 PolarHBondContact OD1-N 3.14Å; D446-S449 PolarHBondContact OD1-OG 3.44Å; D446-V450 WeakPolarHBondContact O-CG2 3.35Å; D446-V450 PolarHBondContact O-N 2.87Å; D446-V450 VanDerWaalsContact O-N 3.15Å |
| 447 | K | 95.4 | Very high | 95.6 | Very high | 158 Ų | 158 | 55.3 Ų | 55.3 | 69% | 0.687 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -63.5 | -32.8 | -176.9 | -173.1 | 178.6 | 178.4 | -179.8 | 0 | 112.9 | L424 T451 | L424-K447 HydrophobicContact CD2-CB 4.17Å; K447-T451 WeakPolarHBondContact O-CB 3.36Å; K447-T451 PolarHBondContact O-N 3.44Å; K447-T451 VanDerWaalsContact O-N 3.1Å; K447-T451 PolarHBondContact O-OG1 3.36Å |
| 448 | E | 96.9 | Very high | 95.8 | Very high | 138 Ų | 138 | 54 Ų | 54 | 65% | 0.645 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -70.2 | -45.4 | -179.1 | -175.4 | 175.5 | 172.2 | 0 | 0 | 110.3 | D446 V450 T451 N452 | D446-E448 VanDerWaalsContact C-N 3.27Å; D446-E448 PolarHBondContact O-N 3.34Å; D446-E448 WeakPolarHBondContact OD1-CB 3.49Å; D446-E448 PolarHBondContact OD1-N 3.07Å; D446-E448 VanDerWaalsContact OD1-N 3.08Å; E448-V450 PolarHBondContact O-N 2.83Å; E448-T451 PolarHBondContact O-N 3.17Å; E448-N452 WeakPolarHBondContact O-CB 3.32Å; E448-N452 PolarHBondContact O-N 3.24Å; E448-N452 PolarHBondContact O-ND2 3.05Å |
| 449 | S | 96.4 | Very high | 96.1 | Very high | 33 Ų | 33 | 51.4 Ų | 51.4 | 23% | 0.231 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.1 | -45.5 | 176.7 | -54.8 | 0 | 0 | 0 | 0 | 111.8 | I443 D446 T451 N452 A453 | I443-S449 CarbonylContact O-C 3.57Å; I443-S449 WeakPolarHBondContact O-CB 3.34Å; D446-S449 PolarHBondContact O-N 2.87Å; D446-S449 WeakPolarHBondContact OD1-CB 3.32Å; D446-S449 PolarHBondContact OD1-N 3.14Å; D446-S449 PolarHBondContact OD1-OG 3.44Å; S449-T451 PolarHBondContact O-N 3.48Å; S449-N452 PolarHBondContact O-N 3.19Å; S449-A453 WeakPolarHBondContact O-CB 3.27Å; S449-A453 PolarHBondContact O-N 3Å |
| 450 | V | 96.8 | Very high | 96.3 | Very high | 8 Ų | 8 | 50.5 Ų | 50.5 | 5% | 0.048 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.6 | -46.1 | 174.6 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | C420 L424 I443 F444 D446 E448 A453 L454 | C420-V450 HydrophobicContact CB-CG1 3.55Å; L424-V450 HydrophobicContact CD1-CG2 4.19Å; L424-V450 HydrophobicContact CD2-CG2 4.45Å; I443-V450 WeakPolarHBondContact O-CG2 3.38Å; I443-V450 PolarHBondContact O-N 3.23Å; F444-V450 HydrophobicContact CD1-CG2 3.58Å; F444-V450 HydrophobicContact CE1-CG2 3.96Å; F444-V450 HydrophobicContact CG-CG2 4.26Å; D446-V450 WeakPolarHBondContact O-CG2 3.35Å; D446-V450 PolarHBondContact O-N 2.87Å; D446-V450 VanDerWaalsContact O-N 3.15Å; E448-V450 PolarHBondContact O-N 2.83Å; V450-A453 PolarHBondContact O-N 2.96Å; V450-L454 HydrophobicContact CG1-CD1 4Å; V450-L454 HydrophobicContact CG1-CG 4.44Å; V450-L454 WeakPolarHBondContact O-CB 3.36Å; V450-L454 VanDerWaalsContact O-CG 3.28Å; V450-L454 WeakPolarHBondContact O-CG 3.35Å; V450-L454 PolarHBondContact O-N 3.44Å |
| 451 | T | 97.1 | Very high | 96.4 | Very high | 66 Ų | 66 | 50 Ų | 50 | 41% | 0.405 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.1 | -43.9 | -178 | -58 | 0 | 0 | 0 | 0 | 110.7 | K447 E448 S449 A453 L454 T455 | K447-T451 WeakPolarHBondContact O-CB 3.36Å; K447-T451 PolarHBondContact O-N 3.44Å; K447-T451 VanDerWaalsContact O-N 3.1Å; K447-T451 PolarHBondContact O-OG1 3.36Å; E448-T451 PolarHBondContact O-N 3.17Å; S449-T451 PolarHBondContact O-N 3.48Å; T451-A453 PolarHBondContact O-N 3.33Å; T451-L454 PolarHBondContact O-N 2.98Å; T451-T455 WeakPolarHBondContact O-CB 3.46Å; T451-T455 PolarHBondContact O-N 3.41Å; T451-T455 PolarHBondContact O-OG1 3.18Å; T451-T455 VanDerWaalsContact O-OG1 3.09Å |
| 452 | N | 97.2 | Very high | 96.7 | Very high | 95 Ų | 95 | 48.7 Ų | 48.7 | 51% | 0.508 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.9 | -43.9 | 177.3 | -70.5 | -19.7 | 0 | 0 | 0 | 111.8 | E448 S449 T455 A456 | E448-N452 WeakPolarHBondContact O-CB 3.32Å; E448-N452 PolarHBondContact O-N 3.24Å; E448-N452 PolarHBondContact O-ND2 3.05Å; S449-N452 PolarHBondContact O-N 3.19Å; N452-T455 PolarHBondContact O-N 2.88Å; N452-A456 VanDerWaalsContact O-CB 3.3Å; N452-A456 WeakPolarHBondContact O-CB 3.37Å; N452-A456 PolarHBondContact O-N 3.46Å |
| 453 | A | 97.2 | Very high | 96.9 | Very high | 4 Ų | 4 | 51.1 Ų | 51.1 | 3% | 0.033 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.9 | -45.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D259 I443 S449 V450 T451 T455 A456 S457 | D259-A453 HydrophobicContact CB-CB 4.01Å; I443-A453 HydrophobicContact CB-CB 4.46Å; I443-A453 HydrophobicContact CG1-CB 4.09Å; I443-A453 HydrophobicContact CG2-CB 3.78Å; S449-A453 WeakPolarHBondContact O-CB 3.27Å; S449-A453 PolarHBondContact O-N 3Å; V450-A453 PolarHBondContact O-N 2.96Å; T451-A453 PolarHBondContact O-N 3.33Å; A453-T455 PolarHBondContact O-N 3.46Å; A453-A456 PolarHBondContact O-N 3.04Å; A453-S457 WeakPolarHBondContact O-CB 3.33Å; A453-S457 PolarHBondContact O-N 3.43Å |
| 454 | L | 97.7 | Very high | 96.9 | Very high | 7 Ų | 7 | 52.6 Ų | 52.6 | 4% | 0.037 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.2 | -38.7 | 177.5 | -71.6 | 176.9 | 0 | 0 | 0 | 112.7 | L263 H413 L416 C420 V450 T451 N458 | L263-L454 HydrophobicContact CD1-CD2 3.64Å; H413-L454 PolarHBondContact CE1-O 3.12Å; H413-L454 PolarHBondContact ND1-O 3.04Å; L416-L454 HydrophobicContact CB-CD2 3.67Å; L416-L454 HydrophobicContact CD1-CD2 3.72Å; L416-L454 HydrophobicContact CG-CD2 4.39Å; C420-L454 HydrophobicContact CB-CD1 4.14Å; V450-L454 HydrophobicContact CG1-CD1 4Å; V450-L454 HydrophobicContact CG1-CG 4.44Å; V450-L454 WeakPolarHBondContact O-CB 3.36Å; V450-L454 VanDerWaalsContact O-CG 3.28Å; V450-L454 WeakPolarHBondContact O-CG 3.35Å; V450-L454 PolarHBondContact O-N 3.44Å; T451-L454 PolarHBondContact O-N 2.98Å; L454-N458 VanDerWaalsContact O-CB 3.31Å; L454-N458 WeakPolarHBondContact O-CB 3.29Å; L454-N458 PolarHBondContact O-N 3.46Å; L454-N458 VanDerWaalsContact O-N 3.07Å |
| 455 | T | 97.9 | Very high | 97 | Very high | 58 Ų | 58 | 52.3 Ų | 52.3 | 36% | 0.356 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -69.3 | -45.9 | 176.1 | -61.5 | 0 | 0 | 0 | 0 | 111.1 | T451 N452 A453 S457 N458 D459 | T451-T455 WeakPolarHBondContact O-CB 3.46Å; T451-T455 PolarHBondContact O-N 3.41Å; T451-T455 PolarHBondContact O-OG1 3.18Å; T451-T455 VanDerWaalsContact O-OG1 3.09Å; N452-T455 PolarHBondContact O-N 2.88Å; A453-T455 PolarHBondContact O-N 3.46Å; T455-S457 PolarHBondContact O-N 3.49Å; T455-N458 PolarHBondContact O-N 3.19Å; T455-D459 VanDerWaalsContact O-CG 3.26Å; T455-D459 PolarHBondContact O-N 3.34Å |
| 456 | A | 97.7 | Very high | 97.3 | Very high | 45 Ų | 45 | 50.1 Ų | 50.1 | 37% | 0.372 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N452 A453 D459 A460 | N452-A456 VanDerWaalsContact O-CB 3.3Å; N452-A456 WeakPolarHBondContact O-CB 3.37Å; N452-A456 PolarHBondContact O-N 3.46Å; A453-A456 PolarHBondContact O-N 3.04Å; A456-D459 PolarHBondContact O-N 3Å; A456-A460 WeakPolarHBondContact O-CB 3.35Å; A456-A460 PolarHBondContact O-N 2.82Å |
| 457 | S | 97.9 | Very high | 97.3 | Very high | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.014 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.6 | -46 | 174.5 | 173.1 | 0 | 0 | 0 | 0 | 111.6 | D257 A453 T455 D459 A460 H461 | D257-S457 WeakPolarHBondContact OD2-CA 3.47Å; D257-S457 WeakPolarHBondContact OD2-CB 3.23Å; D257-S457 PolarHBondContact OD2-OG 2.97Å; A453-S457 WeakPolarHBondContact O-CB 3.33Å; A453-S457 PolarHBondContact O-N 3.43Å; T455-S457 PolarHBondContact O-N 3.49Å; S457-D459 PolarHBondContact O-N 2.92Å; S457-A460 PolarHBondContact O-N 3.47Å; S457-H461 PolarHBondContact O-CD2 3.41Å; S457-H461 VanDerWaalsContact O-CD2 3.32Å; S457-H461 VanDerWaalsContact O-CG 3.3Å; S457-H461 PolarHBondContact O-N 3.18Å |
| 458 | N | 97.8 | Very high | 97.4 | Very high | 19 Ų | 19 | 43.7 Ų | 43.7 | 10% | 0.102 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.8 | -45.2 | 177.6 | 179.4 | 73.7 | 0 | 0 | 0 | 112.8 | Q409 H413 L454 T455 H461 L462 | Q409-N458 PolarHBondContact NE2-OD1 2.94Å; H413-N458 HydrophobicContact CB-CB 4.23Å; H413-N458 WeakPolarHBondContact CB-OD1 3.42Å; L454-N458 VanDerWaalsContact O-CB 3.31Å; L454-N458 WeakPolarHBondContact O-CB 3.29Å; L454-N458 PolarHBondContact O-N 3.46Å; L454-N458 VanDerWaalsContact O-N 3.07Å; T455-N458 PolarHBondContact O-N 3.19Å; N458-H461 PolarHBondContact O-N 3.21Å; N458-L462 WeakPolarHBondContact ND2-CD1 3.49Å; N458-L462 WeakPolarHBondContact O-CG 3.45Å; N458-L462 PolarHBondContact O-N 3.01Å |
| 459 | D | 98.1 | Very high | 97.3 | Very high | 89 Ų | 89 | 37.3 Ų | 37.3 | 48% | 0.476 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.1 | -40.9 | 179.5 | -67.3 | -12.5 | 0 | 0 | 0 | 111.2 | T455 A456 S457 L462 L463 | T455-D459 VanDerWaalsContact O-CG 3.26Å; T455-D459 PolarHBondContact O-N 3.34Å; A456-D459 PolarHBondContact O-N 3Å; S457-D459 PolarHBondContact O-N 2.92Å; D459-L462 PolarHBondContact O-N 3.4Å; D459-L463 WeakPolarHBondContact O-CB 3.46Å; D459-L463 PolarHBondContact O-N 3.25Å |
| 460 | A | 97.9 | Very high | 97.4 | Very high | 25 Ų | 25 | 39.8 Ų | 39.8 | 21% | 0.207 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.9 | -44.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D257 A456 S457 K464 | D257-A460 HydrophobicContact CB-CB 4.13Å; A456-A460 WeakPolarHBondContact O-CB 3.35Å; A456-A460 PolarHBondContact O-N 2.82Å; S457-A460 PolarHBondContact O-N 3.47Å; A460-K464 WeakPolarHBondContact O-CB 3.27Å; A460-K464 PolarHBondContact O-N 3.48Å |
| 461 | H | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.6 | -45.6 | 177.4 | -70.3 | -171.3 | 0 | 0 | 0 | 112.2 | L253 F254 D257 Q409 S457 N458 L463 K464 I465 | L253-H461 PolarHBondContact O-CD2 3.45Å; F254-H461 AromaticContact CD1-CE1 3.98Å; F254-H461 AromaticContact CD1-NE2 3.5Å; F254-H461 WeakPolarHBondContact CD1-NE2 3.39Å; F254-H461 AromaticContact CE1-CE1 3.42Å; F254-H461 VanDerWaalsContact CE1-CE1 3.42Å; F254-H461 WeakPolarHBondContact CE1-CE1 2.9Å; F254-H461 AromaticContact CE1-NE2 3.44Å; F254-H461 WeakPolarHBondContact CE1-NE2 3.49Å; F254-H461 AromaticContact CG-NE2 3.95Å; F254-H461 AromaticContact CZ-CE1 3.48Å; F254-H461 VanDerWaalsContact CZ-CE1 3.48Å; F254-H461 WeakPolarHBondContact CZ-CE1 3.48Å; F254-H461 AromaticContact CZ-NE2 3.81Å; D257-H461 IonicContact OD2-CD2 2.68Å; D257-H461 IonicContact OD2-CE1 3.6Å; D257-H461 IonicContact OD2-NE2 2.96Å; D257-H461 PolarHBondContact OD2-NE2 3.44Å; Q409-H461 VanDerWaalsContact CD-CB 3.49Å; Q409-H461 HydrophobicContact CG-CB 4.08Å; Q409-H461 PolarHBondContact OE1-ND1 3.24Å; S457-H461 PolarHBondContact O-CD2 3.41Å; S457-H461 VanDerWaalsContact O-CD2 3.32Å; S457-H461 VanDerWaalsContact O-CG 3.3Å; S457-H461 PolarHBondContact O-N 3.18Å; N458-H461 PolarHBondContact O-N 3.21Å; H461-L463 VanDerWaalsContact C-N 3.34Å; H461-L463 PolarHBondContact O-N 3.34Å; H461-K464 PolarHBondContact O-N 3.3Å; H461-K464 VanDerWaalsContact O-N 3.12Å; H461-I465 VanDerWaalsContact O-CG1 3.26Å; H461-I465 WeakPolarHBondContact O-CG1 3.46Å; H461-I465 PolarHBondContact O-N 3.37Å |
| 462 | L | 98.2 | Very high | 97.4 | Very high | 39 Ų | 39 | 40.1 Ų | 40.1 | 20% | 0.204 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.3 | -45.1 | 178.1 | -73.3 | 174.1 | 0 | 0 | 0 | 111.3 | R406 Q409 N458 D459 K464 I465 D466 | R406-L462 HydrophobicContact CB-CD2 4.01Å; R406-L462 HydrophobicContact CG-CD2 3.87Å; Q409-L462 HydrophobicContact CB-CD2 4.11Å; Q409-L462 HydrophobicContact CG-CD2 3.75Å; Q409-L462 HydrophobicContact CG-CG 3.96Å; N458-L462 WeakPolarHBondContact ND2-CD1 3.49Å; N458-L462 WeakPolarHBondContact O-CG 3.45Å; N458-L462 PolarHBondContact O-N 3.01Å; D459-L462 PolarHBondContact O-N 3.4Å; L462-K464 VanDerWaalsContact C-N 3.26Å; L462-K464 PolarHBondContact O-N 2.89Å; L462-I465 PolarHBondContact O-N 3.36Å; L462-D466 PolarHBondContact O-N 3.39Å |
| 463 | L | 97.8 | Very high | 97.4 | Very high | 101 Ų | 101 | 37 Ų | 37 | 53% | 0.529 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -57.6 | -41.8 | 174.2 | -176.2 | 148.6 | 0 | 0 | 0 | 111.2 | D459 H461 D466 E467 | D459-L463 WeakPolarHBondContact O-CB 3.46Å; D459-L463 PolarHBondContact O-N 3.25Å; H461-L463 VanDerWaalsContact C-N 3.34Å; H461-L463 PolarHBondContact O-N 3.34Å; L463-D466 PolarHBondContact O-N 3.42Å; L463-E467 HydrophobicContact CD2-CG 4.12Å; L463-E467 VanDerWaalsContact CD2-OE1 3.27Å; L463-E467 WeakPolarHBondContact CD2-OE1 3.38Å; L463-E467 WeakPolarHBondContact O-CG 3.42Å; L463-E467 PolarHBondContact O-N 2.9Å |
| 464 | K | 96.7 | Very high | 97.5 | Very high | 39 Ų | 39 | 43.7 Ų | 43.7 | 17% | 0.17 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.5 | -36.9 | 179 | -166.4 | 53.4 | 168 | -172.7 | 0 | 113.4 | L253 A460 H461 L462 D466 E467 F468 | L253-K464 HydrophobicContact CD2-CB 4.09Å; L253-K464 HydrophobicContact CD2-CG 4.16Å; A460-K464 WeakPolarHBondContact O-CB 3.27Å; A460-K464 PolarHBondContact O-N 3.48Å; H461-K464 PolarHBondContact O-N 3.3Å; H461-K464 VanDerWaalsContact O-N 3.12Å; L462-K464 VanDerWaalsContact C-N 3.26Å; L462-K464 PolarHBondContact O-N 2.89Å; K464-D466 VanDerWaalsContact C-N 3.34Å; K464-E467 WeakPolarHBondContact CD-OE2 3.35Å; K464-E467 IonicContact NZ-OE2 2.8Å; K464-E467 PolarHBondContact NZ-OE2 3.49Å; K464-E467 PolarHBondContact O-N 3.1Å; K464-F468 HydrophobicContact CD-CE1 4.28Å; K464-F468 HydrophobicContact CD-CZ 4.2Å; K464-F468 HydrophobicContact CG-CE1 4.4Å; K464-F468 HydrophobicContact CG-CE2 4.07Å; K464-F468 HydrophobicContact CG-CZ 3.85Å; K464-F468 WeakPolarHBondContact O-CD2 3.45Å; K464-F468 WeakPolarHBondContact O-CG 3.46Å; K464-F468 PolarHBondContact O-N 2.9Å |
| 465 | I | 97.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.1 | -42.8 | 174.9 | -67.9 | 170.9 | 0 | 0 | 0 | 110 | L253 F280 F402 C405 R406 Q409 H461 L462 F468 A469 | L253-I465 HydrophobicContact CD2-CD1 4.34Å; L253-I465 HydrophobicContact CD2-CG1 3.69Å; F280-I465 HydrophobicContact CE2-CD1 4.08Å; F280-I465 HydrophobicContact CE2-CG1 3.91Å; F280-I465 HydrophobicContact CZ-CG1 4.45Å; F402-I465 HydrophobicContact CD1-CG2 3.81Å; C405-I465 HydrophobicContact CB-CD1 4.33Å; C405-I465 HydrophobicContact CB-CG2 3.84Å; R406-I465 HydrophobicContact CG-CG2 3.91Å; Q409-I465 HydrophobicContact CB-CD1 3.93Å; Q409-I465 HydrophobicContact CG-CD1 4.31Å; H461-I465 VanDerWaalsContact O-CG1 3.26Å; H461-I465 WeakPolarHBondContact O-CG1 3.46Å; H461-I465 PolarHBondContact O-N 3.37Å; L462-I465 PolarHBondContact O-N 3.36Å; I465-F468 WeakPolarHBondContact O-CB 3.26Å; I465-F468 PolarHBondContact O-N 3.23Å; I465-A469 PolarHBondContact O-N 2.91Å |
| 466 | D | 97.7 | Very high | 97.5 | Very high | 60 Ų | 60 | 43.2 Ų | 43.2 | 32% | 0.321 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67 | -40.5 | 177.6 | -68 | -26.4 | 0 | 0 | 0 | 111.6 | R406 L462 L463 K464 F468 A469 D470 | R406-D466 WeakPolarHBondContact CD-OD1 3.47Å; R406-D466 IonicContact CZ-OD1 2.67Å; R406-D466 IonicContact NH1-OD1 3.32Å; R406-D466 PolarHBondContact NH1-OD1 2.9Å; L462-D466 PolarHBondContact O-N 3.39Å; L463-D466 PolarHBondContact O-N 3.42Å; K464-D466 VanDerWaalsContact C-N 3.34Å; D466-F468 PolarHBondContact O-N 2.98Å; D466-A469 PolarHBondContact O-N 3.44Å; D466-A469 VanDerWaalsContact O-N 3.11Å; D466-D470 WeakPolarHBondContact O-CB 3.18Å; D466-D470 PolarHBondContact O-N 2.97Å |
| 467 | E | 96.3 | Very high | 97.5 | Very high | 81 Ų | 81 | 45.8 Ų | 45.8 | 38% | 0.379 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -56 | -38.6 | 173.3 | -77.1 | -178.2 | 174.3 | 0 | 0 | 112.6 | L463 K464 E471 | L463-E467 HydrophobicContact CD2-CG 4.12Å; L463-E467 VanDerWaalsContact CD2-OE1 3.27Å; L463-E467 WeakPolarHBondContact CD2-OE1 3.38Å; L463-E467 WeakPolarHBondContact O-CG 3.42Å; L463-E467 PolarHBondContact O-N 2.9Å; K464-E467 WeakPolarHBondContact CD-OE2 3.35Å; K464-E467 IonicContact NZ-OE2 2.8Å; K464-E467 PolarHBondContact NZ-OE2 3.49Å; K464-E467 PolarHBondContact O-N 3.1Å; E467-E471 WeakPolarHBondContact O-CB 3.39Å; E467-E471 PolarHBondContact O-N 3.37Å |
| 468 | F | 95.9 | Very high | 97.5 | Very high | 9 Ų | 9 | 51.9 Ų | 51.9 | 4% | 0.039 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.6 | -41.6 | 176.8 | -69.3 | -28.3 | 0 | 0 | 0 | 112.7 | M244 I249 K252 L253 F280 F402 K464 I465 D466 I472 | M244-F468 HydrophobicContact CE-CB 3.63Å; M244-F468 HydrophobicContact CE-CD1 4.1Å; M244-F468 HydrophobicContact CE-CG 3.87Å; I249-F468 HydrophobicContact CG1-CE2 4.4Å; K252-F468 HydrophobicContact CB-CZ 3.76Å; K252-F468 HydrophobicContact CD-CE1 4.18Å; K252-F468 HydrophobicContact CD-CZ 3.95Å; L253-F468 HydrophobicContact CD2-CE2 4.27Å; F280-F468 HydrophobicContact CZ-CE2 4.27Å; F402-F468 HydrophobicContact CE1-CB 3.56Å; F402-F468 HydrophobicContact CE1-CD2 4.36Å; F402-F468 HydrophobicContact CE1-CG 4.47Å; F402-F468 HydrophobicContact CZ-CB 3.64Å; K464-F468 HydrophobicContact CD-CE1 4.28Å; K464-F468 HydrophobicContact CD-CZ 4.2Å; K464-F468 HydrophobicContact CG-CE1 4.4Å; K464-F468 HydrophobicContact CG-CE2 4.07Å; K464-F468 HydrophobicContact CG-CZ 3.85Å; K464-F468 WeakPolarHBondContact O-CD2 3.45Å; K464-F468 WeakPolarHBondContact O-CG 3.46Å; K464-F468 PolarHBondContact O-N 2.9Å; I465-F468 WeakPolarHBondContact O-CB 3.26Å; I465-F468 PolarHBondContact O-N 3.23Å; D466-F468 PolarHBondContact O-N 2.98Å; F468-I472 WeakPolarHBondContact O-CG1 3.32Å; F468-I472 PolarHBondContact O-N 3.47Å |
| 469 | A | 96.8 | Very high | 97.5 | Very high | 4 Ų | 4 | 54 Ų | 54 | 3% | 0.033 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.2 | -46 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111 | F402 I465 D466 E471 I472 N473 | F402-A469 HydrophobicContact CB-CB 4.09Å; F402-A469 HydrophobicContact CD1-CB 4.41Å; F402-A469 HydrophobicContact CD2-CB 3.53Å; F402-A469 HydrophobicContact CE2-CB 4.02Å; F402-A469 HydrophobicContact CG-CB 3.76Å; I465-A469 PolarHBondContact O-N 2.91Å; D466-A469 PolarHBondContact O-N 3.44Å; D466-A469 VanDerWaalsContact O-N 3.11Å; A469-E471 PolarHBondContact O-N 2.8Å; A469-I472 PolarHBondContact O-N 3.37Å; A469-N473 WeakPolarHBondContact O-CB 3.25Å; A469-N473 PolarHBondContact O-N 3.02Å |
| 470 | D | 97.4 | Very high | 97.5 | Very high | 85 Ų | 85 | 50.7 Ų | 50.7 | 46% | 0.455 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.8 | -42.4 | -179.3 | -77.9 | -20 | 0 | 0 | 0 | 111.9 | D466 I472 N473 E474 | D466-D470 WeakPolarHBondContact O-CB 3.18Å; D466-D470 PolarHBondContact O-N 2.97Å; D470-I472 VanDerWaalsContact C-N 3.32Å; D470-I472 PolarHBondContact O-N 3.38Å; D470-N473 WeakPolarHBondContact O-CB 3.3Å; D470-N473 PolarHBondContact O-N 3.43Å; D470-E474 WeakPolarHBondContact O-CB 3.38Å; D470-E474 WeakPolarHBondContact O-CG 3.48Å; D470-E474 PolarHBondContact O-N 3.22Å |
| 471 | E | 96.7 | Very high | 97.4 | Very high | 76 Ų | 76 | 56.7 Ų | 56.7 | 36% | 0.355 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.8 | -43.2 | 178.1 | -174.7 | -179.6 | 179.3 | 0 | 0 | 111.9 | E467 A469 K475 | E467-E471 WeakPolarHBondContact O-CB 3.39Å; E467-E471 PolarHBondContact O-N 3.37Å; A469-E471 PolarHBondContact O-N 2.8Å; E471-K475 HydrophobicContact CG-CD 4.2Å; E471-K475 WeakPolarHBondContact O-CB 3.35Å; E471-K475 VanDerWaalsContact O-CG 3.23Å; E471-K475 WeakPolarHBondContact O-CG 3.49Å; E471-K475 PolarHBondContact O-N 3.38Å; E471-K475 VanDerWaalsContact O-N 3.1Å; E471-K475 VanDerWaalsContact OE1-CE 3.26Å; E471-K475 WeakPolarHBondContact OE1-CE 3.22Å; E471-K475 IonicContact OE1-NZ 3.79Å; E471-K475 PolarHBondContact OE1-NZ 3.4Å |
| 472 | I | 97.8 | Very high | 97.4 | Very high | 4 Ų | 4 | 61.8 Ų | 61.8 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.6 | -45.9 | 177.4 | -64.9 | 171 | 0 | 0 | 0 | 110.2 | F240 M244 V287 F394 V398 F402 F468 A469 D470 K475 A476 | F240-I472 HydrophobicContact CB-CG2 4.35Å; F240-I472 WeakPolarHBondContact O-CG1 3.41Å; M244-I472 HydrophobicContact CE-CD1 4Å; M244-I472 HydrophobicContact CG-CD1 4.25Å; V287-I472 HydrophobicContact CG1-CD1 3.78Å; F394-I472 HydrophobicContact CE1-CG2 3.67Å; F394-I472 HydrophobicContact CZ-CG2 3.76Å; V398-I472 HydrophobicContact CG1-CB 4.47Å; V398-I472 HydrophobicContact CG1-CD1 4.14Å; V398-I472 HydrophobicContact CG1-CG2 4.21Å; V398-I472 HydrophobicContact CG2-CG2 4.3Å; F402-I472 HydrophobicContact CE2-CD1 3.93Å; F402-I472 HydrophobicContact CZ-CD1 4.26Å; F468-I472 WeakPolarHBondContact O-CG1 3.32Å; F468-I472 PolarHBondContact O-N 3.47Å; A469-I472 PolarHBondContact O-N 3.37Å; D470-I472 VanDerWaalsContact C-N 3.32Å; D470-I472 PolarHBondContact O-N 3.38Å; I472-K475 PolarHBondContact O-N 3.42Å; I472-A476 VanDerWaalsContact O-CB 3.28Å; I472-A476 WeakPolarHBondContact O-CB 3.39Å; I472-A476 PolarHBondContact O-N 2.9Å |
| 473 | N | 97.6 | Very high | 97.3 | Very high | 31 Ų | 31 | 61.3 Ų | 61.3 | 17% | 0.166 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.2 | -48.5 | -179.2 | -171.5 | -13.1 | 0 | 0 | 0 | 111.9 | A469 D470 A476 K477 | A469-N473 WeakPolarHBondContact O-CB 3.25Å; A469-N473 PolarHBondContact O-N 3.02Å; D470-N473 WeakPolarHBondContact O-CB 3.3Å; D470-N473 PolarHBondContact O-N 3.43Å; N473-A476 PolarHBondContact O-N 3.43Å; N473-K477 WeakPolarHBondContact O-CB 3.37Å; N473-K477 PolarHBondContact O-N 2.92Å; N473-K477 VanDerWaalsContact OD1-CD 3.26Å; N473-K477 WeakPolarHBondContact OD1-CD 3.42Å; N473-K477 WeakPolarHBondContact OD1-CE 3.44Å; N473-K477 PolarHBondContact OD1-NZ 3.49Å |
| 474 | E | 97.8 | Very high | 97.1 | Very high | 143 Ų | 143 | 57.2 Ų | 57.2 | 67% | 0.668 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -62.3 | -46.7 | 178.3 | -73.5 | -169.6 | 164 | 0 | 0 | 111.8 | D470 A476 K478 | D470-E474 WeakPolarHBondContact O-CB 3.38Å; D470-E474 WeakPolarHBondContact O-CG 3.48Å; D470-E474 PolarHBondContact O-N 3.22Å; E474-A476 PolarHBondContact O-N 2.99Å; E474-K478 WeakPolarHBondContact O-CB 3.41Å; E474-K478 PolarHBondContact O-N 3.21Å |
| 475 | K | 98.2 | Very high | 97.1 | Very high | 55 Ų | 55 | 59.4 Ų | 59.4 | 24% | 0.239 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.2 | -47.1 | 176.3 | -76.2 | 175.2 | -177.1 | 172.4 | 0 | 111.4 | F240 D242 E471 I472 W479 | F240-K475 HydrophobicContact CB-CB 4.16Å; F240-K475 HydrophobicContact CD1-CB 3.94Å; F240-K475 HydrophobicContact CG-CB 4.28Å; D242-K475 IonicContact OD1-NZ 2.7Å; D242-K475 PolarHBondContact OD1-NZ 3.32Å; D242-K475 IonicContact OD2-NZ 3.81Å; D242-K475 PolarHBondContact OD2-NZ 3.17Å; E471-K475 HydrophobicContact CG-CD 4.2Å; E471-K475 WeakPolarHBondContact O-CB 3.35Å; E471-K475 VanDerWaalsContact O-CG 3.23Å; E471-K475 WeakPolarHBondContact O-CG 3.49Å; E471-K475 PolarHBondContact O-N 3.38Å; E471-K475 VanDerWaalsContact O-N 3.1Å; E471-K475 VanDerWaalsContact OE1-CE 3.26Å; E471-K475 WeakPolarHBondContact OE1-CE 3.22Å; E471-K475 IonicContact OE1-NZ 3.79Å; E471-K475 PolarHBondContact OE1-NZ 3.4Å; I472-K475 PolarHBondContact O-N 3.42Å; K475-W479 VanDerWaalsContact O-CB 3.26Å; K475-W479 WeakPolarHBondContact O-CB 3.34Å; K475-W479 PolarHBondContact O-N 3Å |
| 476 | A | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.3 | -49.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F240 I391 F394 I395 I472 N473 E474 W479 M480 | F240-A476 HydrophobicContact CD2-CB 3.71Å; F240-A476 HydrophobicContact CE2-CB 3.85Å; F240-A476 HydrophobicContact CG-CB 4.29Å; I391-A476 HydrophobicContact CD1-CB 4.35Å; I391-A476 HydrophobicContact CG2-CB 4.28Å; F394-A476 HydrophobicContact CD1-CB 4.41Å; F394-A476 HydrophobicContact CE1-CB 4.36Å; I395-A476 HydrophobicContact CD1-CB 4.34Å; I395-A476 HydrophobicContact CG1-CB 4.43Å; I472-A476 VanDerWaalsContact O-CB 3.28Å; I472-A476 WeakPolarHBondContact O-CB 3.39Å; I472-A476 PolarHBondContact O-N 2.9Å; N473-A476 PolarHBondContact O-N 3.43Å; E474-A476 PolarHBondContact O-N 2.99Å; A476-W479 PolarHBondContact O-N 2.9Å; A476-M480 WeakPolarHBondContact O-CB 3.36Å; A476-M480 PolarHBondContact O-N 2.89Å |
| 477 | K | 97.8 | Very high | 96.7 | Very high | 100 Ų | 100 | 61.3 Ų | 61.3 | 44% | 0.435 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.9 | -42 | 178.7 | -77.3 | 179 | 175 | 148.8 | 0 | 112.5 | I395 N473 M480 K481 | I395-K477 HydrophobicContact CD1-CD 4.45Å; I395-K477 HydrophobicContact CD1-CG 3.91Å; N473-K477 WeakPolarHBondContact O-CB 3.37Å; N473-K477 PolarHBondContact O-N 2.92Å; N473-K477 VanDerWaalsContact OD1-CD 3.26Å; N473-K477 WeakPolarHBondContact OD1-CD 3.42Å; N473-K477 WeakPolarHBondContact OD1-CE 3.44Å; N473-K477 PolarHBondContact OD1-NZ 3.49Å; K477-M480 PolarHBondContact O-N 3.25Å; K477-K481 WeakPolarHBondContact O-CB 3.44Å; K477-K481 PolarHBondContact O-N 3.42Å; K477-K481 VanDerWaalsContact O-N 3.08Å |
| 478 | K | 98 | Very high | 96.5 | Very high | 129 Ų | 129 | 59.6 Ų | 59.6 | 56% | 0.561 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -61.3 | -50.7 | 176.8 | -179.4 | 179.9 | 173.8 | -176.9 | 0 | 110.7 | E474 M480 K481 E482 | E474-K478 WeakPolarHBondContact O-CB 3.41Å; E474-K478 PolarHBondContact O-N 3.21Å; K478-M480 VanDerWaalsContact C-N 3.33Å; K478-M480 PolarHBondContact O-N 3.46Å; K478-K481 PolarHBondContact O-N 2.91Å; K478-E482 WeakPolarHBondContact CE-OE1 3.17Å; K478-E482 HydrophobicContact CG-CG 4.47Å; K478-E482 IonicContact NZ-OE1 2.77Å; K478-E482 WeakPolarHBondContact O-CG 3.07Å; K478-E482 PolarHBondContact O-N 3.39Å |
| 479 | W | 98 | Very high | 96.3 | Very high | 63 Ų | 63 | 61.4 Ų | 61.4 | 24% | 0.239 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.3 | -44.4 | 178.6 | 172.8 | 87.2 | 0 | 0 | 0 | 112.2 | F240 I302 L387 I391 K475 A476 K481 E482 T483 | F240-W479 HydrophobicContact CE1-CB 3.58Å; F240-W479 HydrophobicContact CE1-CD2 4.18Å; F240-W479 AromaticContact CE1-CG 3.68Å; F240-W479 HydrophobicContact CE1-CG 3.68Å; F240-W479 HydrophobicContact CE2-CE3 4.39Å; F240-W479 HydrophobicContact CZ-CB 3.69Å; F240-W479 AromaticContact CZ-CD2 3.58Å; F240-W479 HydrophobicContact CZ-CD2 3.58Å; F240-W479 AromaticContact CZ-CE3 3.68Å; F240-W479 HydrophobicContact CZ-CE3 3.68Å; F240-W479 AromaticContact CZ-CG 3.57Å; F240-W479 HydrophobicContact CZ-CG 3.57Å; I302-W479 HydrophobicContact CD1-CH2 4.03Å; I302-W479 HydrophobicContact CD1-CZ2 3.94Å; L387-W479 HydrophobicContact CD1-CH2 3.97Å; L387-W479 HydrophobicContact CD1-CZ3 3.85Å; L387-W479 HydrophobicContact CD2-CH2 4.36Å; L387-W479 HydrophobicContact CD2-CZ3 4.11Å; L387-W479 HydrophobicContact CG-CZ3 4.3Å; I391-W479 HydrophobicContact CD1-CE3 4.1Å; I391-W479 HydrophobicContact CD1-CZ3 4Å; I391-W479 HydrophobicContact CG1-CZ3 4.45Å; K475-W479 VanDerWaalsContact O-CB 3.26Å; K475-W479 WeakPolarHBondContact O-CB 3.34Å; K475-W479 PolarHBondContact O-N 3Å; A476-W479 PolarHBondContact O-N 2.9Å; W479-K481 PolarHBondContact O-N 2.99Å; W479-E482 PolarHBondContact O-N 3.45Å; W479-T483 HydrophobicContact CZ2-CG2 4.42Å; W479-T483 VanDerWaalsContact O-CB 3.27Å; W479-T483 WeakPolarHBondContact O-CB 3.47Å; W479-T483 PolarHBondContact O-N 2.98Å; W479-T483 PolarHBondContact O-OG1 2.88Å |
| 480 | M | 97.3 | Very high | 96 | Very high | 20 Ų | 20 | 62.7 Ų | 62.7 | 10% | 0.099 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.3 | -49.4 | 178.6 | 180 | 178 | 71 | 0 | 0 | 111.2 | L387 N388 I391 A476 K477 K478 E482 T483 I484 | L387-M480 HydrophobicContact CD2-CG 4.03Å; L387-M480 HydrophobicContact CG-CG 4.18Å; N388-M480 HydrophobicContact CB-SD 4.39Å; N388-M480 WeakPolarHBondContact OD1-CE 3.5Å; N388-M480 PolarHBondContact OD1-SD 3.32Å; N388-M480 VanDerWaalsContact OD1-SD 3.4Å; I391-M480 HydrophobicContact CB-SD 3.66Å; I391-M480 HydrophobicContact CG1-CB 4.19Å; I391-M480 HydrophobicContact CG1-CG 4.26Å; I391-M480 HydrophobicContact CG1-SD 3.77Å; I391-M480 HydrophobicContact CG2-CE 4.3Å; I391-M480 HydrophobicContact CG2-SD 3.85Å; A476-M480 WeakPolarHBondContact O-CB 3.36Å; A476-M480 PolarHBondContact O-N 2.89Å; K477-M480 PolarHBondContact O-N 3.25Å; K478-M480 VanDerWaalsContact C-N 3.33Å; K478-M480 PolarHBondContact O-N 3.46Å; M480-E482 PolarHBondContact O-N 3.4Å; M480-T483 PolarHBondContact O-N 2.97Å; M480-I484 HydrophobicContact CG-CD1 3.73Å; M480-I484 WeakPolarHBondContact O-CG1 3.49Å; M480-I484 PolarHBondContact O-N 3.5Å |
| 481 | K | 96.9 | Very high | 95.7 | Very high | 151 Ų | 151 | 61.1 Ų | 61.1 | 66% | 0.657 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -61 | -45.4 | 179 | -177.6 | 179.1 | 178.7 | 179.8 | 0 | 112.2 | K477 K478 W479 T485 | K477-K481 WeakPolarHBondContact O-CB 3.44Å; K477-K481 PolarHBondContact O-N 3.42Å; K477-K481 VanDerWaalsContact O-N 3.08Å; K478-K481 PolarHBondContact O-N 2.91Å; W479-K481 PolarHBondContact O-N 2.99Å; K481-T485 VanDerWaalsContact O-CB 3.3Å; K481-T485 WeakPolarHBondContact O-CB 3.34Å; K481-T485 PolarHBondContact O-N 3.46Å; K481-T485 PolarHBondContact O-OG1 3.22Å |
| 482 | E | 97.4 | Very high | 95.2 | Very high | 108 Ų | 108 | 59.1 Ų | 59.1 | 51% | 0.505 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.9 | -41.8 | 178.9 | -72.9 | 175.4 | 172.2 | 0 | 0 | 111.5 | K478 W479 M480 T485 S486 | K478-E482 WeakPolarHBondContact CE-OE1 3.17Å; K478-E482 HydrophobicContact CG-CG 4.47Å; K478-E482 IonicContact NZ-OE1 2.77Å; K478-E482 WeakPolarHBondContact O-CG 3.07Å; K478-E482 PolarHBondContact O-N 3.39Å; W479-E482 PolarHBondContact O-N 3.45Å; M480-E482 PolarHBondContact O-N 3.4Å; E482-T485 PolarHBondContact O-N 3.3Å; E482-S486 VanDerWaalsContact O-CB 3.29Å; E482-S486 WeakPolarHBondContact O-CB 3.37Å; E482-S486 PolarHBondContact O-N 3.19Å |
| 483 | T | 95.6 | Very high | 94.8 | Very high | 28 Ų | 28 | 64.5 Ų | 64.5 | 17% | 0.172 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.8 | -50.7 | 178 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | L387 W479 M480 T485 S486 I487 | L387-T483 HydrophobicContact CD2-CG2 4.47Å; W479-T483 HydrophobicContact CZ2-CG2 4.42Å; W479-T483 VanDerWaalsContact O-CB 3.27Å; W479-T483 WeakPolarHBondContact O-CB 3.47Å; W479-T483 PolarHBondContact O-N 2.98Å; W479-T483 PolarHBondContact O-OG1 2.88Å; M480-T483 PolarHBondContact O-N 2.97Å; T483-T485 PolarHBondContact O-N 3.24Å; T483-S486 PolarHBondContact O-N 2.96Å; T483-I487 HydrophobicContact CG2-CD1 3.99Å; T483-I487 WeakPolarHBondContact O-CG1 3.33Å; T483-I487 PolarHBondContact O-N 3.47Å |
| 484 | I | 94.3 | Very high | 94.5 | Very high | 16 Ų | 16 | 67.3 Ų | 67.3 | 8% | 0.082 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.9 | -48.2 | 177.8 | -69.3 | 163.1 | 0 | 0 | 0 | 110.2 | E384 L387 M480 S486 I487 Y488 | E384-I484 HydrophobicContact CG-CD1 3.94Å; E384-I484 HydrophobicContact CG-CG2 4.44Å; L387-I484 HydrophobicContact CD2-CD1 4.4Å; L387-I484 HydrophobicContact CD2-CG1 4.14Å; M480-I484 HydrophobicContact CG-CD1 3.73Å; M480-I484 WeakPolarHBondContact O-CG1 3.49Å; M480-I484 PolarHBondContact O-N 3.5Å; I484-S486 VanDerWaalsContact C-N 3.31Å; I484-S486 PolarHBondContact O-N 3.44Å; I484-I487 PolarHBondContact O-N 2.89Å; I484-I487 VanDerWaalsContact O-N 3.16Å; I484-Y488 HydrophobicContact CG2-CD2 3.62Å; I484-Y488 HydrophobicContact CG2-CE2 3.53Å; I484-Y488 WeakPolarHBondContact O-CD2 3.31Å; I484-Y488 PolarHBondContact O-N 3.12Å |
| 485 | T | 95.5 | Very high | 94.3 | Very high | 84 Ų | 84 | 62.3 Ų | 62.3 | 52% | 0.515 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.1 | -43.7 | 179.7 | -56.8 | 0 | 0 | 0 | 0 | 111.5 | K481 E482 T483 I487 Y488 S489 | K481-T485 VanDerWaalsContact O-CB 3.3Å; K481-T485 WeakPolarHBondContact O-CB 3.34Å; K481-T485 PolarHBondContact O-N 3.46Å; K481-T485 PolarHBondContact O-OG1 3.22Å; E482-T485 PolarHBondContact O-N 3.3Å; T483-T485 PolarHBondContact O-N 3.24Å; T485-I487 VanDerWaalsContact C-N 3.33Å; T485-I487 PolarHBondContact O-N 3.43Å; T485-Y488 PolarHBondContact O-N 2.94Å; T485-S489 PolarHBondContact O-N 2.9Å; T485-S489 PolarHBondContact O-OG 3.15Å |
| 486 | S | 95.2 | Very high | 94.1 | Very high | 76 Ų | 76 | 61.9 Ų | 61.9 | 53% | 0.531 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.1 | -37.2 | 178.3 | -176 | 0 | 0 | 0 | 0 | 112.6 | E482 T483 I484 S489 G490 | E482-S486 VanDerWaalsContact O-CB 3.29Å; E482-S486 WeakPolarHBondContact O-CB 3.37Å; E482-S486 PolarHBondContact O-N 3.19Å; T483-S486 PolarHBondContact O-N 2.96Å; I484-S486 VanDerWaalsContact C-N 3.31Å; I484-S486 PolarHBondContact O-N 3.44Å; S486-S489 WeakPolarHBondContact CA-OG 3.48Å; S486-S489 PolarHBondContact O-OG 3.13Å; S486-G490 PolarHBondContact O-N 2.98Å |
| 487 | I | 93.1 | Very high | 93.9 | Very high | 25 Ų | 25 | 69.5 Ų | 69.5 | 13% | 0.128 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.2 | -47.8 | 177.3 | -72.7 | 167.3 | 0 | 0 | 0 | 109.9 | F305 I380 F383 T483 I484 T485 S489 G490 E491 | F305-I487 HydrophobicContact CD1-CD1 4.42Å; F305-I487 HydrophobicContact CE1-CD1 3.94Å; F305-I487 HydrophobicContact CE1-CG1 4.3Å; F305-I487 HydrophobicContact CE1-CG2 3.73Å; F305-I487 HydrophobicContact CZ-CG2 3.57Å; I380-I487 HydrophobicContact CD1-CG2 4.1Å; I380-I487 HydrophobicContact CG1-CG2 3.86Å; I380-I487 HydrophobicContact CG2-CG2 4.34Å; F383-I487 HydrophobicContact CD1-CD1 4Å; F383-I487 HydrophobicContact CE1-CD1 3.36Å; F383-I487 HydrophobicContact CZ-CD1 4.01Å; T483-I487 HydrophobicContact CG2-CD1 3.99Å; T483-I487 WeakPolarHBondContact O-CG1 3.33Å; T483-I487 PolarHBondContact O-N 3.47Å; I484-I487 PolarHBondContact O-N 2.89Å; I484-I487 VanDerWaalsContact O-N 3.16Å; T485-I487 VanDerWaalsContact C-N 3.33Å; T485-I487 PolarHBondContact O-N 3.43Å; I487-S489 VanDerWaalsContact C-N 3.33Å; I487-S489 PolarHBondContact O-N 2.79Å; I487-G490 PolarHBondContact O-N 3.5Å; I487-E491 HydrophobicContact CG2-CB 4.48Å; I487-E491 HydrophobicContact CG2-CG 4.36Å; I487-E491 VanDerWaalsContact O-CB 3.31Å; I487-E491 WeakPolarHBondContact O-CB 3.44Å; I487-E491 PolarHBondContact O-N 3.19Å |
| 488 | Y | 90.8 | Very high | 93.6 | Very high | 44 Ų | 44 | 67.2 Ų | 67.2 | 17% | 0.173 | 34% | 0.336 | C | S | . | . | I | π-helix | trans | -58 | -44.2 | 175.5 | -85.6 | -75.1 | 0 | 0 | 0 | 112.1 | I380 N381 E384 I484 T485 K492 Y493 | I380-Y488 HydrophobicContact CB-CE1 4.35Å; I380-Y488 HydrophobicContact CD1-CD1 4.33Å; I380-Y488 HydrophobicContact CG2-CD1 3.98Å; I380-Y488 HydrophobicContact CG2-CD2 3.9Å; I380-Y488 HydrophobicContact CG2-CE1 3.55Å; I380-Y488 HydrophobicContact CG2-CE2 3.46Å; I380-Y488 VanDerWaalsContact CG2-CE2 3.46Å; I380-Y488 HydrophobicContact CG2-CG 4.15Å; N381-Y488 PolarHBondContact OD1-OH 3.24Å; E384-Y488 VanDerWaalsContact OE2-CE2 3.3Å; E384-Y488 WeakPolarHBondContact OE2-CE2 3.5Å; E384-Y488 PolarHBondContact OE2-OH 2.85Å; I484-Y488 HydrophobicContact CG2-CD2 3.62Å; I484-Y488 HydrophobicContact CG2-CE2 3.53Å; I484-Y488 WeakPolarHBondContact O-CD2 3.31Å; I484-Y488 PolarHBondContact O-N 3.12Å; T485-Y488 PolarHBondContact O-N 2.94Å; Y488-K492 HydrophobicContact CD1-CD 4.09Å; Y488-K492 WeakPolarHBondContact O-CB 3.49Å; Y488-K492 PolarHBondContact O-N 2.98Å; Y488-Y493 WeakPolarHBondContact O-CD2 3.36Å; Y488-Y493 PolarHBondContact O-N 3.31Å |
| 489 | S | 91.9 | Very high | 93.4 | Very high | 48 Ų | 48 | 63.5 Ų | 63.5 | 34% | 0.336 | 32% | 0.319 | S | S | . | . | I | π-helix | trans | -63.5 | -51.6 | 179.5 | 61.4 | 0 | 0 | 0 | 0 | 112.3 | T485 S486 I487 Y493 D494 | T485-S489 PolarHBondContact O-N 2.9Å; T485-S489 PolarHBondContact O-OG 3.15Å; S486-S489 WeakPolarHBondContact CA-OG 3.48Å; S486-S489 PolarHBondContact O-OG 3.13Å; I487-S489 VanDerWaalsContact C-N 3.33Å; I487-S489 PolarHBondContact O-N 2.79Å; S489-Y493 PolarHBondContact O-N 3.39Å; S489-D494 PolarHBondContact O-N 3.19Å |
| 490 | G | 91.3 | Very high | 93.2 | Very high | 30 Ų | 30 | 62.1 Ų | 62.1 | 31% | 0.309 | 32% | 0.317 | S | S | . | . | I | π-helix | trans | -72.7 | -55.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113 | S486 I487 R495 | S486-G490 PolarHBondContact O-N 2.98Å; I487-G490 PolarHBondContact O-N 3.5Å; G490-R495 WeakPolarHBondContact O-CB 3.33Å; G490-R495 PolarHBondContact O-N 2.95Å; G490-R495 VanDerWaalsContact O-N 3.15Å |
| 491 | E | 89.6 | Confident | 93 | Very high | 53 Ų | 53 | 66.1 Ų | 66.1 | 25% | 0.248 | 34% | 0.337 | C | S | . | . | I | π-helix | trans | -78.3 | -31.4 | -170 | -66.1 | -61.5 | 163.9 | 0 | 0 | 113 | K313 I376 I380 I487 R495 | K313-E491 WeakPolarHBondContact CE-OE2 3.42Å; K313-E491 VanDerWaalsContact NZ-CD 3.35Å; K313-E491 IonicContact NZ-OE1 3.78Å; K313-E491 PolarHBondContact NZ-OE1 3.13Å; K313-E491 IonicContact NZ-OE2 3.84Å; K313-E491 PolarHBondContact NZ-OE2 3.37Å; I376-E491 HydrophobicContact CG2-CB 4.44Å; I380-E491 HydrophobicContact CD1-CB 4.42Å; I487-E491 HydrophobicContact CG2-CB 4.48Å; I487-E491 HydrophobicContact CG2-CG 4.36Å; I487-E491 VanDerWaalsContact O-CB 3.31Å; I487-E491 WeakPolarHBondContact O-CB 3.44Å; I487-E491 PolarHBondContact O-N 3.19Å; E491-R495 PolarHBondContact O-NE 3.42Å; E491-R495 PolarHBondContact O-NH2 3.41Å |
| 492 | K | 87 | Confident | 92.8 | Very high | 34 Ų | 34 | 64.1 Ų | 64.1 | 15% | 0.148 | 33% | 0.33 | C | S | . | . | I | π-helix | trans | -91.5 | -65.4 | 178.9 | -163.4 | 176.9 | -175.9 | 170.3 | 0 | 111.4 | D377 I380 Y488 N496 | D377-K492 WeakPolarHBondContact OD1-CE 3Å; D377-K492 IonicContact OD1-NZ 3.32Å; D377-K492 PolarHBondContact OD1-NZ 2.83Å; D377-K492 IonicContact OD2-NZ 3.44Å; D377-K492 PolarHBondContact OD2-NZ 3.31Å; I380-K492 HydrophobicContact CD1-CB 4.35Å; Y488-K492 HydrophobicContact CD1-CD 4.09Å; Y488-K492 WeakPolarHBondContact O-CB 3.49Å; Y488-K492 PolarHBondContact O-N 2.98Å; K492-N496 WeakPolarHBondContact O-CB 3.38Å; K492-N496 PolarHBondContact O-N 3.45Å |
| 493 | Y | 89.2 | Confident | 92.7 | Very high | 117 Ų | 117 | 59.2 Ų | 59.2 | 46% | 0.459 | 31% | 0.307 | S | S | . | . | I | π-helix | trans | -81.2 | -51.7 | -165.9 | -57.2 | -55 | 0 | 0 | 0 | 113.4 | Y488 S489 N496 R497 | Y488-Y493 WeakPolarHBondContact O-CD2 3.36Å; Y488-Y493 PolarHBondContact O-N 3.31Å; S489-Y493 PolarHBondContact O-N 3.39Å; Y493-N496 PolarHBondContact O-N 2.9Å; Y493-R497 WeakPolarHBondContact O-CB 3.47Å; Y493-R497 VanDerWaalsContact O-CG 3.25Å; Y493-R497 WeakPolarHBondContact O-CG 3.5Å; Y493-R497 PolarHBondContact O-N 3.4Å |
| 494 | D | 91.8 | Very high | 92.6 | Very high | 89 Ų | 89 | 60.5 Ų | 60.5 | 48% | 0.476 | 31% | 0.313 | S | S | . | . | I | π-helix | trans | -69.2 | -45.2 | -173.1 | -66.6 | -23.2 | 0 | 0 | 0 | 111.1 | S489 R497 A498 | S489-D494 PolarHBondContact O-N 3.19Å; D494-R497 PolarHBondContact O-N 3.22Å; D494-A498 WeakPolarHBondContact O-CB 3.47Å; D494-A498 PolarHBondContact O-N 2.91Å |
| 495 | R | 93.9 | Very high | 92.5 | Very high | 39 Ų | 39 | 65.9 Ų | 65.9 | 15% | 0.147 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.8 | -47.9 | 174.1 | 175 | -80.5 | -46.5 | -168.5 | -3.5 | 112.3 | E369 I376 G490 E491 R497 A498 R499 | E369-R495 IonicContact OE1-CZ 3.43Å; E369-R495 IonicContact OE1-NH1 2.71Å; E369-R495 PolarHBondContact OE1-NH1 3.31Å; E369-R495 IonicContact OE2-NH1 2.63Å; I376-R495 VanDerWaalsContact CD1-CZ 3.42Å; I376-R495 VanDerWaalsContact CD1-NH2 3.27Å; G490-R495 WeakPolarHBondContact O-CB 3.33Å; G490-R495 PolarHBondContact O-N 2.95Å; G490-R495 VanDerWaalsContact O-N 3.15Å; E491-R495 PolarHBondContact O-NE 3.42Å; E491-R495 PolarHBondContact O-NH2 3.41Å; R495-R497 PolarHBondContact O-N 3.01Å; R495-A498 PolarHBondContact O-N 2.85Å; R495-R499 WeakPolarHBondContact O-CB 3.47Å; R495-R499 PolarHBondContact O-N 2.96Å |
| 496 | N | 93.5 | Very high | 92.5 | Very high | 46 Ų | 46 | 64.6 Ų | 64.6 | 25% | 0.246 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.9 | -44.8 | -179.9 | 174.6 | -109.4 | 0 | 0 | 0 | 111.6 | E369 V373 K492 Y493 A498 R499 V500 | E369-N496 VanDerWaalsContact CG-ND2 3.34Å; E369-N496 WeakPolarHBondContact CG-ND2 3.38Å; E369-N496 PolarHBondContact OE1-ND2 3.2Å; V373-N496 HydrophobicContact CG2-CB 4.05Å; V373-N496 VanDerWaalsContact CG2-ND2 3.27Å; V373-N496 WeakPolarHBondContact CG2-ND2 3.23Å; K492-N496 WeakPolarHBondContact O-CB 3.38Å; K492-N496 PolarHBondContact O-N 3.45Å; Y493-N496 PolarHBondContact O-N 2.9Å; N496-A498 PolarHBondContact O-N 2.9Å; N496-R499 PolarHBondContact O-N 3.43Å; N496-V500 WeakPolarHBondContact O-CB 3.35Å; N496-V500 WeakPolarHBondContact O-CG2 3.49Å; N496-V500 PolarHBondContact O-N 3.43Å |
| 497 | R | 92.9 | Very high | 92.5 | Very high | 159 Ų | 159 | 61 Ų | 61 | 60% | 0.6 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -59.4 | -46.7 | 176.9 | -74.9 | 172.1 | 177.3 | 177.8 | 0.2 | 111.6 | Y493 D494 R495 R499 V500 M501 | Y493-R497 WeakPolarHBondContact O-CB 3.47Å; Y493-R497 VanDerWaalsContact O-CG 3.25Å; Y493-R497 WeakPolarHBondContact O-CG 3.5Å; Y493-R497 PolarHBondContact O-N 3.4Å; D494-R497 PolarHBondContact O-N 3.22Å; R495-R497 PolarHBondContact O-N 3.01Å; R497-R499 VanDerWaalsContact C-N 3.3Å; R497-R499 PolarHBondContact O-N 2.96Å; R497-V500 PolarHBondContact O-N 3.11Å; R497-M501 WeakPolarHBondContact O-CB 3.43Å; R497-M501 VanDerWaalsContact O-CG 3.32Å; R497-M501 WeakPolarHBondContact O-CG 3.35Å; R497-M501 PolarHBondContact O-N 3.34Å |
| 498 | A | 92.3 | Very high | 92.5 | Very high | 52 Ų | 52 | 63.3 Ų | 63.3 | 43% | 0.43 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.1 | -44.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | D494 R495 N496 M501 E502 | D494-A498 WeakPolarHBondContact O-CB 3.47Å; D494-A498 PolarHBondContact O-N 2.91Å; R495-A498 PolarHBondContact O-N 2.85Å; N496-A498 PolarHBondContact O-N 2.9Å; A498-M501 PolarHBondContact O-N 3.07Å; A498-E502 PolarHBondContact O-N 3.21Å |
| 499 | R | 93.3 | Very high | 92.5 | Very high | 51 Ų | 51 | 63.2 Ų | 63.2 | 19% | 0.192 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.9 | -41.9 | -178.3 | -171.2 | 56.3 | 176.2 | 165.5 | 7.8 | 113.4 | E369 R495 N496 R497 M501 E502 I503 | E369-R499 HydrophobicContact CG-CG 4.24Å; E369-R499 WeakPolarHBondContact OE2-CG 3.48Å; R495-R499 WeakPolarHBondContact O-CB 3.47Å; R495-R499 PolarHBondContact O-N 2.96Å; N496-R499 PolarHBondContact O-N 3.43Å; R497-R499 VanDerWaalsContact C-N 3.3Å; R497-R499 PolarHBondContact O-N 2.96Å; R499-M501 VanDerWaalsContact C-N 3.33Å; R499-E502 IonicContact CZ-OE2 2.72Å; R499-E502 IonicContact NH1-OE1 3.4Å; R499-E502 PolarHBondContact NH1-OE1 2.86Å; R499-E502 IonicContact NH1-OE2 2.82Å; R499-E502 PolarHBondContact NH1-OE2 3.27Å; R499-E502 WeakPolarHBondContact O-CB 3.48Å; R499-E502 PolarHBondContact O-N 3.1Å; R499-I503 HydrophobicContact CG-CD1 4.26Å; R499-I503 WeakPolarHBondContact O-CG1 3.41Å; R499-I503 PolarHBondContact O-N 2.79Å |
| 500 | V | 94.3 | Very high | 92.6 | Very high | 34 Ų | 34 | 61 Ų | 61 | 21% | 0.206 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.7 | -41.1 | 175.6 | 169.8 | 0 | 0 | 0 | 0 | 110.8 | M366 E369 N496 R497 I503 N504 | M366-V500 HydrophobicContact CE-CG1 4.03Å; M366-V500 HydrophobicContact CE-CG2 4.07Å; M366-V500 HydrophobicContact SD-CG1 4.3Å; M366-V500 HydrophobicContact SD-CG2 4.35Å; E369-V500 HydrophobicContact CG-CG2 4.34Å; N496-V500 WeakPolarHBondContact O-CB 3.35Å; N496-V500 WeakPolarHBondContact O-CG2 3.49Å; N496-V500 PolarHBondContact O-N 3.43Å; R497-V500 PolarHBondContact O-N 3.11Å; V500-I503 PolarHBondContact O-N 3.28Å; V500-N504 PolarHBondContact O-N 3.49Å; V500-N504 PolarHBondContact O-ND2 3.46Å; V500-N504 VanDerWaalsContact O-ND2 3.17Å |
| 501 | M | 93.3 | Very high | 92.6 | Very high | 105 Ų | 105 | 63.4 Ų | 63.4 | 52% | 0.517 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.1 | -47.8 | 173.3 | -73.7 | -172.9 | -61.1 | 0 | 0 | 111.1 | R497 A498 R499 I503 N504 H505 | R497-M501 WeakPolarHBondContact O-CB 3.43Å; R497-M501 VanDerWaalsContact O-CG 3.32Å; R497-M501 WeakPolarHBondContact O-CG 3.35Å; R497-M501 PolarHBondContact O-N 3.34Å; A498-M501 PolarHBondContact O-N 3.07Å; R499-M501 VanDerWaalsContact C-N 3.33Å; M501-I503 VanDerWaalsContact C-N 3.34Å; M501-I503 PolarHBondContact O-N 3.32Å; M501-N504 PolarHBondContact O-N 3.47Å; M501-H505 PolarHBondContact O-N 3.3Å; M501-H505 PolarHBondContact O-ND1 3.42Å |
| 502 | E | 93 | Very high | 92.7 | Very high | 108 Ų | 108 | 64.6 Ų | 64.6 | 51% | 0.505 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -57.2 | -45.7 | 178.4 | -169.7 | -167.9 | 157.3 | 0 | 0 | 112.3 | A498 R499 N504 H505 F506 | A498-E502 PolarHBondContact O-N 3.21Å; R499-E502 IonicContact CZ-OE2 2.72Å; R499-E502 IonicContact NH1-OE1 3.4Å; R499-E502 PolarHBondContact NH1-OE1 2.86Å; R499-E502 IonicContact NH1-OE2 2.82Å; R499-E502 PolarHBondContact NH1-OE2 3.27Å; R499-E502 WeakPolarHBondContact O-CB 3.48Å; R499-E502 PolarHBondContact O-N 3.1Å; E502-N504 PolarHBondContact O-N 2.98Å; E502-H505 PolarHBondContact O-N 3.19Å; E502-F506 WeakPolarHBondContact O-CB 3.39Å; E502-F506 PolarHBondContact O-N 3.08Å |
| 503 | I | 94.6 | Very high | 93 | Very high | 5 Ų | 5 | 66 Ų | 66 | 3% | 0.026 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.3 | -46.9 | 177 | -69 | 164.1 | 0 | 0 | 0 | 110.6 | L365 M366 E369 R499 V500 M501 F506 I507 | L365-I503 HydrophobicContact CB-CD1 4.14Å; L365-I503 HydrophobicContact CB-CG1 4.26Å; L365-I503 HydrophobicContact CB-CG2 3.94Å; L365-I503 HydrophobicContact CD1-CG2 4.26Å; M366-I503 HydrophobicContact CG-CG2 4.3Å; M366-I503 HydrophobicContact SD-CB 4.47Å; M366-I503 HydrophobicContact SD-CD1 4.2Å; M366-I503 HydrophobicContact SD-CG2 4.05Å; E369-I503 HydrophobicContact CB-CD1 4.24Å; R499-I503 HydrophobicContact CG-CD1 4.26Å; R499-I503 WeakPolarHBondContact O-CG1 3.41Å; R499-I503 PolarHBondContact O-N 2.79Å; V500-I503 PolarHBondContact O-N 3.28Å; M501-I503 VanDerWaalsContact C-N 3.34Å; M501-I503 PolarHBondContact O-N 3.32Å; I503-F506 PolarHBondContact O-N 3.19Å; I503-I507 HydrophobicContact CG2-CG1 4.35Å; I503-I507 WeakPolarHBondContact O-CB 3.46Å; I503-I507 VanDerWaalsContact O-CG1 3.27Å; I503-I507 WeakPolarHBondContact O-CG1 3.48Å; I503-I507 PolarHBondContact O-N 3.35Å |
| 504 | N | 93.8 | Very high | 93.1 | Very high | 56 Ų | 56 | 60.8 Ų | 60.8 | 30% | 0.299 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.2 | -46.1 | -179.5 | -72.6 | -36 | 0 | 0 | 0 | 112 | W362 V500 M501 E502 F506 I507 D508 | W362-N504 PolarHBondContact NE1-OD1 3.1Å; V500-N504 PolarHBondContact O-N 3.49Å; V500-N504 PolarHBondContact O-ND2 3.46Å; V500-N504 VanDerWaalsContact O-ND2 3.17Å; M501-N504 PolarHBondContact O-N 3.47Å; E502-N504 PolarHBondContact O-N 2.98Å; N504-F506 VanDerWaalsContact C-N 3.29Å; N504-F506 PolarHBondContact O-N 3.28Å; N504-I507 PolarHBondContact O-N 2.77Å; N504-D508 VanDerWaalsContact O-CG 3.32Å; N504-D508 PolarHBondContact O-N 2.93Å |
| 505 | H | 93.2 | Very high | 92.9 | Very high | 129 Ų | 129 | 63.2 Ų | 63.2 | 60% | 0.597 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -60.1 | -40.9 | 177.2 | -71.1 | 96.2 | 0 | 0 | 0 | 112 | M501 E502 A509 | M501-H505 PolarHBondContact O-N 3.3Å; M501-H505 PolarHBondContact O-ND1 3.42Å; E502-H505 PolarHBondContact O-N 3.19Å; H505-A509 PolarHBondContact O-N 3.38Å |
| 506 | F | 94.2 | Very high | 92.6 | Very high | 57 Ų | 57 | 67.7 Ų | 67.7 | 25% | 0.25 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.9 | -42.7 | 176.7 | 176.1 | -106.8 | 0 | 0 | 0 | 112.1 | I324 L361 L365 E502 I503 N504 A509 L510 | I324-F506 HydrophobicContact CD1-CE1 4.22Å; I324-F506 HydrophobicContact CG1-CE1 3.93Å; I324-F506 HydrophobicContact CG1-CZ 4.23Å; I324-F506 HydrophobicContact CG2-CE1 4.29Å; I324-F506 HydrophobicContact CG2-CE2 4.45Å; I324-F506 HydrophobicContact CG2-CZ 3.72Å; L361-F506 HydrophobicContact CD2-CE1 3.97Å; L365-F506 HydrophobicContact CD1-CD1 4.36Å; E502-F506 WeakPolarHBondContact O-CB 3.39Å; E502-F506 PolarHBondContact O-N 3.08Å; I503-F506 PolarHBondContact O-N 3.19Å; N504-F506 VanDerWaalsContact C-N 3.29Å; N504-F506 PolarHBondContact O-N 3.28Å; F506-A509 WeakPolarHBondContact O-CB 3.33Å; F506-A509 PolarHBondContact O-N 3.34Å; F506-L510 HydrophobicContact CD1-CD1 4.28Å; F506-L510 HydrophobicContact CE1-CD1 3.64Å; F506-L510 HydrophobicContact CE1-CG 4.31Å; F506-L510 HydrophobicContact CZ-CD1 3.85Å; F506-L510 HydrophobicContact CZ-CD2 4.26Å; F506-L510 HydrophobicContact CZ-CG 4.19Å; F506-L510 PolarHBondContact O-N 2.99Å; F506-L510 VanDerWaalsContact O-N 3.17Å |
| 507 | I | 95.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -69.1 | -38.7 | 179.6 | -69.4 | -67.9 | 0 | 0 | 0 | 111.6 | V358 L361 W362 I503 N504 A509 L510 R511 | V358-I507 HydrophobicContact CG1-CD1 4.4Å; V358-I507 HydrophobicContact CG1-CG2 3.91Å; L361-I507 HydrophobicContact CB-CD1 4.35Å; L361-I507 HydrophobicContact CD2-CD1 4.07Å; L361-I507 HydrophobicContact CG-CD1 4.13Å; W362-I507 HydrophobicContact CB-CD1 3.86Å; W362-I507 HydrophobicContact CB-CG1 3.84Å; W362-I507 HydrophobicContact CB-CG2 4.07Å; W362-I507 HydrophobicContact CG-CG1 4.19Å; W362-I507 HydrophobicContact CG-CG2 4.29Å; I503-I507 HydrophobicContact CG2-CG1 4.35Å; I503-I507 WeakPolarHBondContact O-CB 3.46Å; I503-I507 VanDerWaalsContact O-CG1 3.27Å; I503-I507 WeakPolarHBondContact O-CG1 3.48Å; I503-I507 PolarHBondContact O-N 3.35Å; N504-I507 PolarHBondContact O-N 2.77Å; I507-A509 VanDerWaalsContact C-N 3.3Å; I507-A509 PolarHBondContact O-N 2.99Å; I507-L510 HydrophobicContact CD1-CD1 4.21Å; I507-L510 PolarHBondContact O-N 3.26Å; I507-R511 PolarHBondContact O-N 3.36Å; I507-R511 VanDerWaalsContact O-N 3.1Å |
| 508 | D | 92.4 | Very high | 92.1 | Very high | 73 Ų | 73 | 66.6 Ų | 66.6 | 39% | 0.39 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.5 | -36.4 | 174.5 | -69.2 | -22.9 | 0 | 0 | 0 | 111.5 | N504 R511 N512 | N504-D508 VanDerWaalsContact O-CG 3.32Å; N504-D508 PolarHBondContact O-N 2.93Å; D508-R511 PolarHBondContact O-N 2.87Å; D508-R511 IonicContact OD1-NH1 2.73Å; D508-R511 PolarHBondContact OD1-NH1 2.95Å; D508-N512 VanDerWaalsContact O-CG 3.23Å; D508-N512 PolarHBondContact O-N 3.2Å; D508-N512 PolarHBondContact O-ND2 2.81Å |
| 509 | A | 92.5 | Very high | 91.8 | Very high | 43 Ų | 43 | 64.7 Ų | 64.7 | 36% | 0.355 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | H505 F506 I507 R511 N512 D513 | H505-A509 PolarHBondContact O-N 3.38Å; F506-A509 WeakPolarHBondContact O-CB 3.33Å; F506-A509 PolarHBondContact O-N 3.34Å; I507-A509 VanDerWaalsContact C-N 3.3Å; I507-A509 PolarHBondContact O-N 2.99Å; A509-R511 VanDerWaalsContact C-N 3.33Å; A509-R511 PolarHBondContact O-N 2.9Å; A509-N512 PolarHBondContact O-N 3.24Å; A509-D513 VanDerWaalsContact O-CG 3.29Å; A509-D513 PolarHBondContact O-N 2.92Å |
| 510 | L | 93.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.8 | -36.5 | 176.7 | -65.9 | 178.3 | 0 | 0 | 0 | 113 | F327 K328 Y354 V358 L361 F506 I507 D513 | F327-L510 HydrophobicContact CD1-CD1 3.9Å; F327-L510 HydrophobicContact CD1-CD2 4.47Å; F327-L510 HydrophobicContact CE1-CD1 3.61Å; F327-L510 HydrophobicContact CE1-CD2 4.03Å; F327-L510 HydrophobicContact CE1-CG 4.32Å; F327-L510 HydrophobicContact CZ-CD1 4.29Å; K328-L510 VanDerWaalsContact NZ-CD2 3.29Å; Y354-L510 PolarHBondContact OH-O 3.35Å; V358-L510 HydrophobicContact CG1-CB 4.35Å; V358-L510 HydrophobicContact CG2-CB 4.28Å; L361-L510 HydrophobicContact CD2-CD1 3.81Å; F506-L510 HydrophobicContact CD1-CD1 4.28Å; F506-L510 HydrophobicContact CE1-CD1 3.64Å; F506-L510 HydrophobicContact CE1-CG 4.31Å; F506-L510 HydrophobicContact CZ-CD1 3.85Å; F506-L510 HydrophobicContact CZ-CD2 4.26Å; F506-L510 HydrophobicContact CZ-CG 4.19Å; F506-L510 PolarHBondContact O-N 2.99Å; F506-L510 VanDerWaalsContact O-N 3.17Å; I507-L510 HydrophobicContact CD1-CD1 4.21Å; I507-L510 PolarHBondContact O-N 3.26Å; L510-D513 WeakPolarHBondContact O-CB 3.19Å; L510-D513 PolarHBondContact O-N 3.05Å |
| 511 | R | 91.6 | Very high | 90.8 | Very high | 80 Ų | 80 | 65.6 Ų | 65.6 | 30% | 0.302 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65 | -44.2 | 173.8 | -69.5 | 175.1 | 175.2 | 155 | -4.4 | 111.1 | V358 I507 D508 A509 D513 V514 E515 | V358-R511 HydrophobicContact CG1-CG 4Å; I507-R511 PolarHBondContact O-N 3.36Å; I507-R511 VanDerWaalsContact O-N 3.1Å; D508-R511 PolarHBondContact O-N 2.87Å; D508-R511 IonicContact OD1-NH1 2.73Å; D508-R511 PolarHBondContact OD1-NH1 2.95Å; A509-R511 VanDerWaalsContact C-N 3.33Å; A509-R511 PolarHBondContact O-N 2.9Å; R511-D513 VanDerWaalsContact C-N 3.27Å; R511-D513 PolarHBondContact O-N 3.07Å; R511-V514 VanDerWaalsContact O-CG1 3.25Å; R511-V514 WeakPolarHBondContact O-CG1 3.48Å; R511-V514 PolarHBondContact O-N 3.39Å; R511-E515 WeakPolarHBondContact O-CG 3.43Å; R511-E515 PolarHBondContact O-N 3.05Å |
| 512 | N | 92 | Very high | 90.2 | Very high | 78 Ų | 78 | 63.9 Ų | 63.9 | 42% | 0.417 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.8 | -32.9 | 176.2 | -67.4 | -28.6 | 0 | 0 | 0 | 112.4 | D508 A509 V514 E515 N516 | D508-N512 VanDerWaalsContact O-CG 3.23Å; D508-N512 PolarHBondContact O-N 3.2Å; D508-N512 PolarHBondContact O-ND2 2.81Å; A509-N512 PolarHBondContact O-N 3.24Å; N512-V514 VanDerWaalsContact C-N 3.33Å; N512-V514 PolarHBondContact O-N 3.16Å; N512-E515 PolarHBondContact O-N 3.43Å; N512-N516 WeakPolarHBondContact O-CB 2.92Å; N512-N516 PolarHBondContact O-N 3.44Å; N512-N516 PolarHBondContact O-ND2 3.27Å |
| 513 | D | 92.1 | Very high | 88.9 | Confident | 64 Ų | 64 | 61.1 Ų | 61.1 | 34% | 0.342 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.7 | -42.3 | 179.2 | -73.7 | -15.6 | 0 | 0 | 0 | 111.8 | K328 Q331 F335 A509 L510 R511 L517 | K328-D513 IonicContact NZ-OD2 3.94Å; Q331-D513 PolarHBondContact NE2-OD2 3.32Å; F335-D513 HydrophobicContact CE2-CB 4.04Å; F335-D513 HydrophobicContact CZ-CB 3.89Å; A509-D513 VanDerWaalsContact O-CG 3.29Å; A509-D513 PolarHBondContact O-N 2.92Å; L510-D513 WeakPolarHBondContact O-CB 3.19Å; L510-D513 PolarHBondContact O-N 3.05Å; R511-D513 VanDerWaalsContact C-N 3.27Å; R511-D513 PolarHBondContact O-N 3.07Å; D513-L517 PolarHBondContact O-N 3.37Å |
| 514 | V | 91.2 | Very high | 86.9 | Confident | 7 Ų | 7 | 70.4 Ų | 70.4 | 4% | 0.042 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -78.3 | -36.6 | 179.2 | 68.5 | 0 | 0 | 0 | 0 | 112 | F335 L338 I351 Y354 R511 N512 N516 L517 | F335-V514 HydrophobicContact CE1-CB 4.09Å; F335-V514 HydrophobicContact CE1-CG2 4.25Å; F335-V514 HydrophobicContact CZ-CB 4.1Å; L338-V514 HydrophobicContact CD1-CG2 4.42Å; I351-V514 HydrophobicContact CG1-CG2 4.37Å; Y354-V514 HydrophobicContact CD1-CB 3.77Å; Y354-V514 HydrophobicContact CD1-CG1 3.65Å; Y354-V514 HydrophobicContact CD1-CG2 3.98Å; Y354-V514 HydrophobicContact CE1-CB 3.57Å; Y354-V514 HydrophobicContact CE1-CG1 3.52Å; Y354-V514 HydrophobicContact CE1-CG2 4.27Å; R511-V514 VanDerWaalsContact O-CG1 3.25Å; R511-V514 WeakPolarHBondContact O-CG1 3.48Å; R511-V514 PolarHBondContact O-N 3.39Å; N512-V514 VanDerWaalsContact C-N 3.33Å; N512-V514 PolarHBondContact O-N 3.16Å; V514-N516 VanDerWaalsContact C-N 3.27Å; V514-N516 PolarHBondContact O-N 3.27Å; V514-L517 WeakPolarHBondContact O-CB 3.39Å; V514-L517 PolarHBondContact O-N 3.33Å |
| 515 | E | 88.5 | Confident | 84.1 | Confident | 141 Ų | 141 | 76.6 Ų | 76.6 | 66% | 0.659 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -64.2 | -32.9 | 177.6 | -72.9 | 179.4 | -175.1 | 0 | 0 | 112.5 | R511 N512 | R511-E515 WeakPolarHBondContact O-CG 3.43Å; R511-E515 PolarHBondContact O-N 3.05Å; N512-E515 PolarHBondContact O-N 3.43Å |
| 516 | N | 87.9 | Confident | 83.7 | Confident | 132 Ų | 132 | 74 Ų | 74 | 71% | 0.706 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | 5.3 | 178 | -65.6 | -61.3 | 0 | 0 | 0 | 113.5 | N512 V514 | N512-N516 WeakPolarHBondContact O-CB 2.92Å; N512-N516 PolarHBondContact O-N 3.44Å; N512-N516 PolarHBondContact O-ND2 3.27Å; V514-N516 VanDerWaalsContact C-N 3.27Å; V514-N516 PolarHBondContact O-N 3.27Å |
| 517 | L | 87.9 | Confident | 83.1 | Confident | 39 Ų | 39 | 74.8 Ų | 74.8 | 20% | 0.204 | 43% | 0.425 | C | S | . | . | trans | -76.6 | 125.5 | 177.6 | -167.8 | 66.4 | 0 | 0 | 0 | 109.8 | F335 L338 L339 D513 V514 I519 | F335-L517 HydrophobicContact CB-CD2 4.22Å; F335-L517 HydrophobicContact CD1-CD2 4.04Å; F335-L517 HydrophobicContact CD2-CD1 4.15Å; F335-L517 HydrophobicContact CD2-CD2 4.16Å; F335-L517 HydrophobicContact CE1-CD2 4.39Å; F335-L517 HydrophobicContact CE2-CD1 4.49Å; F335-L517 HydrophobicContact CG-CD2 3.9Å; L338-L517 HydrophobicContact CB-CD2 4.23Å; L338-L517 HydrophobicContact CD1-CD2 4Å; L339-L517 HydrophobicContact CD1-CD1 4.5Å; L339-L517 HydrophobicContact CD2-CD1 4.33Å; L339-L517 HydrophobicContact CD2-CG 4.36Å; D513-L517 PolarHBondContact O-N 3.37Å; V514-L517 WeakPolarHBondContact O-CB 3.39Å; V514-L517 PolarHBondContact O-N 3.33Å; L517-I519 HydrophobicContact CB-CD1 4.37Å; L517-I519 HydrophobicContact CB-CG1 4.09Å; L517-I519 HydrophobicContact CD2-CD1 4.16Å; L517-I519 HydrophobicContact CD2-CG1 3.9Å; L517-I519 HydrophobicContact CG-CD1 4.49Å; L517-I519 HydrophobicContact CG-CG1 3.9Å; L517-I519 PolarHBondContact O-N 3.13Å | ||
| 518 | D | 87 | Confident | 82.4 | Confident | 144 Ų | 144 | 79 Ų | 79 | 77% | 0.77 | 45% | 0.449 | S | S | * | . | trans | -78.3 | 82.6 | 179 | -171.5 | 14.1 | 0 | 0 | 0 | 110.7 | L339 P520 | L339-D518 WeakPolarHBondContact CD2-O 3.31Å; D518-P520 WeakPolarHBondContact O-CD 3.44Å | ||
| 519 | I | 87.1 | Confident | 81.8 | Confident | 12 Ų | 12 | 79.4 Ų | 79.4 | 6% | 0.062 | 45% | 0.452 | C | S | . | . | trans | -86.7 | 113.7 | -172.6 | -60.1 | 170.2 | 0 | 0 | 0 | 110.6 | L338 V347 I351 L517 A521 L522 | L338-I519 HydrophobicContact CB-CD1 4.37Å; L338-I519 HydrophobicContact CB-CG1 4.39Å; L338-I519 HydrophobicContact CD1-CD1 4.18Å; L338-I519 HydrophobicContact CD2-CD1 4.48Å; V347-I519 HydrophobicContact CG1-CG2 3.6Å; I351-I519 HydrophobicContact CD1-CD1 3.66Å; I351-I519 HydrophobicContact CG1-CD1 4.21Å; L517-I519 HydrophobicContact CB-CD1 4.37Å; L517-I519 HydrophobicContact CB-CG1 4.09Å; L517-I519 HydrophobicContact CD2-CD1 4.16Å; L517-I519 HydrophobicContact CD2-CG1 3.9Å; L517-I519 HydrophobicContact CG-CD1 4.49Å; L517-I519 HydrophobicContact CG-CG1 3.9Å; L517-I519 PolarHBondContact O-N 3.13Å; I519-A521 VanDerWaalsContact C-N 3.32Å; I519-A521 PolarHBondContact O-N 3.33Å; I519-L522 HydrophobicContact CB-CD1 4.39Å; I519-L522 HydrophobicContact CD1-CD1 4.23Å; I519-L522 HydrophobicContact CG2-CD1 4.35Å; I519-L522 HydrophobicContact CG2-CG 4.26Å; I519-L522 PolarHBondContact O-N 3.47Å | ||
| 520 | P | 84.4 | Confident | 81.2 | Confident | 82 Ų | 82 | 81.6 Ų | 81.6 | 53% | 0.532 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -62.1 | -32.8 | -172.1 | -24.8 | 34.8 | 0 | 0 | 0 | 115 | D518 L522 G523 | D518-P520 WeakPolarHBondContact O-CD 3.44Å; P520-L522 VanDerWaalsContact C-N 3.33Å; P520-G523 PolarHBondContact O-N 2.98Å |
| 521 | A | 82 | Confident | 80.4 | Confident | 22 Ų | 22 | 87 Ų | 87 | 18% | 0.182 | 49% | 0.488 | C | S | . | . | G | 310 helix | trans | -72.5 | -24.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | N341 V347 I519 G523 | N341-A521 WeakPolarHBondContact O-CB 2.97Å; V347-A521 HydrophobicContact CB-CB 4.29Å; V347-A521 HydrophobicContact CG1-CB 4.49Å; V347-A521 HydrophobicContact CG2-CB 3.8Å; I519-A521 VanDerWaalsContact C-N 3.32Å; I519-A521 PolarHBondContact O-N 3.33Å; A521-G523 VanDerWaalsContact C-N 3.26Å |
| 522 | L | 80.2 | Confident | 79.6 | Confident | 69 Ų | 69 | 87.5 Ų | 87.5 | 36% | 0.361 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -93.4 | 17.8 | 175.7 | -64.9 | 177 | 0 | 0 | 0 | 112 | V347 E348 I351 I519 P520 | V347-L522 HydrophobicContact CG1-CD1 3.8Å; V347-L522 HydrophobicContact CG1-CD2 4.14Å; V347-L522 HydrophobicContact CG1-CG 3.66Å; E348-L522 HydrophobicContact CG-CD2 3.91Å; I351-L522 HydrophobicContact CD1-CD1 3.4Å; I351-L522 VanDerWaalsContact CD1-CD1 3.4Å; I519-L522 HydrophobicContact CB-CD1 4.39Å; I519-L522 HydrophobicContact CD1-CD1 4.23Å; I519-L522 HydrophobicContact CG2-CD1 4.35Å; I519-L522 HydrophobicContact CG2-CG 4.26Å; I519-L522 PolarHBondContact O-N 3.47Å; P520-L522 VanDerWaalsContact C-N 3.33Å |
| 523 | G | 66.1 | Low | 78.6 | Confident | 50 Ų | 50 | 88.2 Ų | 88.2 | 52% | 0.515 | 51% | 0.508 | S | S | . | . | trans | -39.5 | 143.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | P520 A521 S525 | P520-G523 PolarHBondContact O-N 2.98Å; A521-G523 VanDerWaalsContact C-N 3.26Å; G523-S525 PolarHBondContact O-N 3.2Å | ||
| 524 | E | 51.1 | Low | 77.5 | Confident | 200 Ų | 200 | 90.3 Ų | 90.3 | 94% | 0.935 | 52% | 0.522 | S | S | * | . | trans | -22.5 | 105.3 | -173.7 | -67.9 | -177 | 166.6 | 0 | 0 | 113.6 | ||||
| 525 | S | 36.4 | Very low | 76.2 | Confident | 185 Ų | 185 | 97.8 Ų | 97.8 | 100% | 1.294 | 57% | 0.565 | S | S | * | * | trans | -51.9 | 0 | 153.5 | 60.3 | 0 | 0 | 0 | 0 | 111.3 | G523 | G523-S525 PolarHBondContact O-N 3.2Š|
Retrieved 525 of 525 residues in 783 ms
(Link to these results)