| 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 | 63.9 | Low | 86.5 | Confident | 117 Ų | 117 | 61.5 Ų | 61.5 | 58% | 0.576 | 31% | 0.308 | S | S | * | . | 0 | 161.3 | 0 | -136.2 | -175.9 | -157.4 | 0 | 0 | 108.7 | I6 A29 | M1-I6 HydrophobicContact CB-CD1 4.45Å; M1-I6 HydrophobicContact SD-CG1 4.2Å; M1-A29 HydrophobicContact CE-CB 3.66Å; M1-A29 HydrophobicContact SD-CB 3.51Å; M1-A29 VanDerWaalsContact SD-CB 3.51Å | |||
| 2 | D | 79.7 | Confident | 86.8 | Confident | 85 Ų | 85 | 56.8 Ų | 56.8 | 46% | 0.455 | 29% | 0.286 | S | S | . | . | trans | -71.2 | 125.6 | 170.3 | -179.6 | -3.1 | 0 | 0 | 0 | 109.1 | N4 T5 | D2-N4 PolarHBondContact O-N 3.3Å; D2-N4 VanDerWaalsContact O-N 3.13Å; D2-N4 PolarHBondContact OD1-N 3.15Å; D2-N4 VanDerWaalsContact OD1-N 3.09Å; D2-N4 PolarHBondContact OD1-ND2 3.46Å; D2-N4 VanDerWaalsContact OD1-ND2 3.13Å; D2-T5 WeakPolarHBondContact O-CB 3.36Å; D2-T5 PolarHBondContact O-N 3.02Å | ||
| 3 | P | 84.8 | Confident | 86.9 | Confident | 54 Ų | 54 | 54.5 Ų | 54.5 | 35% | 0.351 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -51.1 | -32.2 | 176.3 | -28.3 | 34.9 | 0 | 0 | 0 | 114.1 | T5 I6 I7 T38 | P3-T5 VanDerWaalsContact C-N 3.31Å; P3-T5 PolarHBondContact O-N 2.93Å; P3-I6 PolarHBondContact O-N 3.25Å; P3-I7 WeakPolarHBondContact O-CD1 3.23Å; P3-I7 VanDerWaalsContact O-CG1 3.31Å; P3-I7 WeakPolarHBondContact O-CG1 3.42Å; P3-I7 PolarHBondContact O-N 3.02Å; P3-T38 HydrophobicContact CB-CG2 4.12Å; P3-T38 HydrophobicContact CG-CG2 3.99Å |
| 4 | N | 88.2 | Confident | 86.9 | Confident | 97 Ų | 97 | 57.3 Ų | 57.3 | 52% | 0.519 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.3 | -36.6 | 179.1 | -65.9 | -53.8 | 0 | 0 | 0 | 112.7 | D2 I6 I7 E8 | D2-N4 PolarHBondContact O-N 3.3Å; D2-N4 VanDerWaalsContact O-N 3.13Å; D2-N4 PolarHBondContact OD1-N 3.15Å; D2-N4 VanDerWaalsContact OD1-N 3.09Å; D2-N4 PolarHBondContact OD1-ND2 3.46Å; D2-N4 VanDerWaalsContact OD1-ND2 3.13Å; N4-I6 VanDerWaalsContact C-N 3.32Å; N4-I6 PolarHBondContact O-N 3.01Å; N4-I7 PolarHBondContact O-N 3.34Å; N4-E8 WeakPolarHBondContact O-CG 3.27Å; N4-E8 PolarHBondContact O-N 3.19Å |
| 5 | T | 88 | Confident | 86.8 | Confident | 40 Ų | 40 | 58.3 Ų | 58.3 | 25% | 0.245 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.1 | -38.6 | 177.8 | -51.4 | 0 | 0 | 0 | 0 | 111.5 | D2 P3 A9 | D2-T5 WeakPolarHBondContact O-CB 3.36Å; D2-T5 PolarHBondContact O-N 3.02Å; P3-T5 VanDerWaalsContact C-N 3.31Å; P3-T5 PolarHBondContact O-N 2.93Å; T5-A9 WeakPolarHBondContact O-CB 3.16Å; T5-A9 PolarHBondContact O-N 3.27Å |
| 6 | I | 90.2 | Very high | 86.5 | Confident | 3 Ų | 3 | 62.1 Ų | 62.1 | 2% | 0.015 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.1 | -41.4 | 176.4 | -58.2 | 173.7 | 0 | 0 | 0 | 109.9 | M1 P3 N4 E8 A9 L10 L26 F35 T38 L39 I42 | M1-I6 HydrophobicContact CB-CD1 4.45Å; M1-I6 HydrophobicContact SD-CG1 4.2Å; P3-I6 PolarHBondContact O-N 3.25Å; N4-I6 VanDerWaalsContact C-N 3.32Å; N4-I6 PolarHBondContact O-N 3.01Å; I6-E8 PolarHBondContact O-N 2.64Å; I6-A9 PolarHBondContact O-N 3.23Å; I6-L10 HydrophobicContact CG2-CD1 4.08Å; I6-L10 HydrophobicContact CG2-CG 4.33Å; I6-L10 WeakPolarHBondContact O-CB 3.46Å; I6-L10 VanDerWaalsContact O-CG 3.29Å; I6-L10 WeakPolarHBondContact O-CG 3.49Å; I6-L10 PolarHBondContact O-N 3.47Å; I6-L26 HydrophobicContact CG2-CD2 4.22Å; I6-F35 HydrophobicContact CD1-CD2 3.77Å; I6-F35 HydrophobicContact CD1-CE2 3.74Å; I6-F35 HydrophobicContact CG1-CE2 4.05Å; I6-F35 HydrophobicContact CG2-CE2 4.42Å; I6-T38 HydrophobicContact CD1-CG2 3.86Å; I6-L39 HydrophobicContact CG2-CD2 3.75Å; I6-I42 HydrophobicContact CB-CD1 3.73Å; I6-I42 HydrophobicContact CD1-CD1 4.39Å; I6-I42 HydrophobicContact CG2-CD1 3.6Å |
| 7 | I | 91.8 | Very high | 86.4 | Confident | 22 Ų | 22 | 63.6 Ų | 63.6 | 11% | 0.113 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 177 | -68.6 | 160.9 | 0 | 0 | 0 | 111.4 | P3 N4 L10 R11 I42 L48 V52 | P3-I7 WeakPolarHBondContact O-CD1 3.23Å; P3-I7 VanDerWaalsContact O-CG1 3.31Å; P3-I7 WeakPolarHBondContact O-CG1 3.42Å; P3-I7 PolarHBondContact O-N 3.02Å; N4-I7 PolarHBondContact O-N 3.34Å; I7-L10 PolarHBondContact O-N 2.79Å; I7-R11 WeakPolarHBondContact O-CG 3.39Å; I7-R11 PolarHBondContact O-N 3.02Å; I7-I42 HydrophobicContact CD1-CG1 4.37Å; I7-I42 HydrophobicContact CG1-CD1 4.03Å; I7-I42 HydrophobicContact CG1-CG1 4.09Å; I7-I42 HydrophobicContact CG1-CG2 4Å; I7-L48 HydrophobicContact CD1-CD1 3.93Å; I7-L48 HydrophobicContact CD1-CD2 4.05Å; I7-L48 HydrophobicContact CG1-CD1 3.96Å; I7-L48 HydrophobicContact CG1-CD2 4.43Å; I7-L48 HydrophobicContact CG2-CD2 4.01Å; I7-V52 HydrophobicContact CG2-CG1 4.27Å |
| 8 | E | 90.8 | Very high | 86.4 | Confident | 134 Ų | 134 | 65.2 Ų | 65.2 | 63% | 0.626 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -64.7 | -41.8 | 176.4 | -74.2 | -177.6 | 171 | 0 | 0 | 111.9 | N4 I6 R11 G12 | N4-E8 WeakPolarHBondContact O-CG 3.27Å; N4-E8 PolarHBondContact O-N 3.19Å; I6-E8 PolarHBondContact O-N 2.64Å; E8-R11 WeakPolarHBondContact O-CB 3.32Å; E8-R11 PolarHBondContact O-N 2.98Å; E8-G12 PolarHBondContact O-N 3.41Å |
| 9 | A | 90.6 | Very high | 86.4 | Confident | 3 Ų | 3 | 69.2 Ų | 69.2 | 3% | 0.025 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.3 | -46.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | T5 I6 R11 G12 T13 A22 Q25 L26 | T5-A9 WeakPolarHBondContact O-CB 3.16Å; T5-A9 PolarHBondContact O-N 3.27Å; I6-A9 PolarHBondContact O-N 3.23Å; A9-R11 VanDerWaalsContact C-N 3.28Å; A9-R11 PolarHBondContact O-N 2.83Å; A9-G12 CarbonylContact O-C 3.59Å; A9-G12 WeakPolarHBondContact O-CA 3.37Å; A9-G12 PolarHBondContact O-N 3.49Å; A9-T13 WeakPolarHBondContact O-CG2 3.46Å; A9-T13 PolarHBondContact O-N 2.86Å; A9-A22 VanDerWaalsContact O-CB 3.24Å; A9-A22 WeakPolarHBondContact O-CB 3.46Å; A9-Q25 HydrophobicContact CB-CG 4.49Å; A9-L26 HydrophobicContact CB-CD1 4.47Å; A9-L26 HydrophobicContact CB-CD2 3.86Å; A9-L26 HydrophobicContact CB-CG 3.88Å |
| 10 | L | 91.6 | Very high | 86.2 | Confident | 1 Ų | 1 | 72.1 Ų | 72.1 | 1% | 0.005 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -58.4 | -39.2 | 174.8 | -70.8 | 172.4 | 0 | 0 | 0 | 112 | I6 I7 T13 L26 L39 I42 V52 A55 | I6-L10 HydrophobicContact CG2-CD1 4.08Å; I6-L10 HydrophobicContact CG2-CG 4.33Å; I6-L10 WeakPolarHBondContact O-CB 3.46Å; I6-L10 VanDerWaalsContact O-CG 3.29Å; I6-L10 WeakPolarHBondContact O-CG 3.49Å; I6-L10 PolarHBondContact O-N 3.47Å; I7-L10 PolarHBondContact O-N 2.79Å; L10-T13 PolarHBondContact O-N 3.14Å; L10-T13 PolarHBondContact O-OG1 3.24Å; L10-L26 HydrophobicContact CD2-CD1 4.05Å; L10-L26 HydrophobicContact CD2-CD2 4.42Å; L10-L39 HydrophobicContact CD1-CD2 4.2Å; L10-I42 HydrophobicContact CD1-CG2 3.98Å; L10-V52 HydrophobicContact CB-CG1 4.23Å; L10-A55 HydrophobicContact CB-CB 4.44Å; L10-A55 HydrophobicContact CD2-CB 4.28Å |
| 11 | R | 91.5 | Very high | 86.2 | Confident | 120 Ų | 120 | 71.7 Ų | 71.7 | 45% | 0.453 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 171.7 | -79.1 | 177.5 | 173.1 | -173 | -5 | 112.3 | I7 E8 A9 T13 M14 D49 V52 | I7-R11 WeakPolarHBondContact O-CG 3.39Å; I7-R11 PolarHBondContact O-N 3.02Å; E8-R11 WeakPolarHBondContact O-CB 3.32Å; E8-R11 PolarHBondContact O-N 2.98Å; A9-R11 VanDerWaalsContact C-N 3.28Å; A9-R11 PolarHBondContact O-N 2.83Å; R11-T13 VanDerWaalsContact C-N 3.26Å; R11-T13 PolarHBondContact O-N 3.44Å; R11-M14 HydrophobicContact CG-CE 4.36Å; R11-M14 PolarHBondContact O-N 3.46Å; R11-D49 IonicContact NH2-OD2 3.19Å; R11-D49 PolarHBondContact NH2-OD2 2.79Å; R11-V52 HydrophobicContact CG-CG1 4.31Å; R11-V52 HydrophobicContact CG-CG2 3.54Å |
| 12 | G | 90.1 | Very high | 87.3 | Confident | 5 Ų | 5 | 66.3 Ų | 66.3 | 5% | 0.052 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62 | -29.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | E8 A9 M14 D15 L18 R19 | E8-G12 PolarHBondContact O-N 3.41Å; A9-G12 CarbonylContact O-C 3.59Å; A9-G12 WeakPolarHBondContact O-CA 3.37Å; A9-G12 PolarHBondContact O-N 3.49Å; G12-M14 PolarHBondContact O-N 3.38Å; G12-D15 PolarHBondContact O-N 3.23Å; G12-D15 VanDerWaalsContact O-N 3.14Å; G12-D15 VanDerWaalsContact O-O 3.1Å; G12-L18 CarbonylContact O-C 3.56Å; G12-R19 WeakPolarHBondContact O-CA 3.32Å; G12-R19 PolarHBondContact O-N 3.09Å |
| 13 | T | 88.4 | Confident | 87.7 | Confident | 28 Ų | 28 | 66.1 Ų | 66.1 | 17% | 0.172 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -19.6 | 176.3 | 65.6 | 0 | 0 | 0 | 0 | 114 | A9 L10 R11 A22 E23 L26 | A9-T13 WeakPolarHBondContact O-CG2 3.46Å; A9-T13 PolarHBondContact O-N 2.86Å; L10-T13 PolarHBondContact O-N 3.14Å; L10-T13 PolarHBondContact O-OG1 3.24Å; R11-T13 VanDerWaalsContact C-N 3.26Å; R11-T13 PolarHBondContact O-N 3.44Å; T13-A22 HydrophobicContact CG2-CB 3.87Å; T13-E23 HydrophobicContact CG2-CG 4.29Å; T13-L26 HydrophobicContact CG2-CD1 3.62Å |
| 14 | M | 86.4 | Confident | 87.7 | Confident | 93 Ų | 93 | 71 Ų | 71 | 46% | 0.458 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -11.3 | 177.4 | -55.7 | -175.6 | -65.6 | 0 | 0 | 112.9 | R11 G12 P51 V52 | R11-M14 HydrophobicContact CG-CE 4.36Å; R11-M14 PolarHBondContact O-N 3.46Å; G12-M14 PolarHBondContact O-N 3.38Å; M14-P51 HydrophobicContact CE-CB 4.14Å; M14-P51 HydrophobicContact SD-CB 3.62Å; M14-V52 HydrophobicContact CE-CG2 3.89Å |
| 15 | D | 85.5 | Confident | 87.7 | Confident | 72 Ų | 72 | 70 Ų | 70 | 39% | 0.385 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -101.3 | 116.1 | 178.1 | -175.5 | -20.4 | 0 | 0 | 0 | 109.3 | G12 A17 L18 R19 | G12-D15 PolarHBondContact O-N 3.23Å; G12-D15 VanDerWaalsContact O-N 3.14Å; G12-D15 VanDerWaalsContact O-O 3.1Å; D15-A17 PolarHBondContact O-N 3Å; D15-A17 WeakPolarHBondContact OD1-CB 3.46Å; D15-A17 PolarHBondContact OD1-N 3.24Å; D15-L18 HydrophobicContact CB-CB 4.24Å; D15-L18 HydrophobicContact CB-CD1 4.34Å; D15-L18 HydrophobicContact CB-CG 4.4Å; D15-L18 PolarHBondContact O-N 3.33Å; D15-R19 PolarHBondContact O-N 3.17Å |
| 16 | P | 82 | Confident | 87.7 | Confident | 119 Ų | 119 | 68.1 Ų | 68.1 | 77% | 0.773 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -31.9 | 178.9 | -27.1 | 34.5 | 0 | 0 | 0 | 114.1 | L18 | P16-L18 VanDerWaalsContact C-N 3.35Š|
| 17 | A | 85.6 | Confident | 87.4 | Confident | 88 Ų | 88 | 72.1 Ų | 72.1 | 73% | 0.727 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -20.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | D15 | D15-A17 PolarHBondContact O-N 3Å; D15-A17 WeakPolarHBondContact OD1-CB 3.46Å; D15-A17 PolarHBondContact OD1-N 3.24Å |
| 18 | L | 85.7 | Confident | 87 | Confident | 92 Ų | 92 | 78.5 Ų | 78.5 | 48% | 0.482 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | -10.4 | -176.1 | -61.6 | 176.6 | 0 | 0 | 0 | 113.3 | G12 D15 P16 E20 A21 A22 | G12-L18 CarbonylContact O-C 3.56Å; D15-L18 HydrophobicContact CB-CB 4.24Å; D15-L18 HydrophobicContact CB-CD1 4.34Å; D15-L18 HydrophobicContact CB-CG 4.4Å; D15-L18 PolarHBondContact O-N 3.33Å; P16-L18 VanDerWaalsContact C-N 3.35Å; L18-E20 PolarHBondContact O-N 3.43Å; L18-A21 PolarHBondContact O-N 3.48Å; L18-A21 VanDerWaalsContact O-N 3.15Å; L18-A22 WeakPolarHBondContact O-CB 3.47Å; L18-A22 PolarHBondContact O-N 3.3Å |
| 19 | R | 86 | Confident | 86.6 | Confident | 141 Ų | 141 | 72.4 Ų | 72.4 | 53% | 0.532 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -51.8 | -55.1 | -170.5 | -169.1 | 175.8 | -162.7 | 159.1 | 9 | 113.9 | G12 D15 A21 A22 E23 | G12-R19 WeakPolarHBondContact O-CA 3.32Å; G12-R19 PolarHBondContact O-N 3.09Å; D15-R19 PolarHBondContact O-N 3.17Å; R19-A21 VanDerWaalsContact C-N 3.32Å; R19-A21 PolarHBondContact O-N 2.75Å; R19-A22 PolarHBondContact O-N 3.47Å; R19-E23 HydrophobicContact CG-CG 4.46Å; R19-E23 WeakPolarHBondContact CG-OE1 3.37Å; R19-E23 IonicContact NE-OE1 2.96Å; R19-E23 PolarHBondContact NE-OE1 3.08Å; R19-E23 WeakPolarHBondContact O-CB 3.42Å; R19-E23 WeakPolarHBondContact O-CG 3.41Å; R19-E23 PolarHBondContact O-N 2.97Å |
| 20 | E | 83.2 | Confident | 86.2 | Confident | 128 Ų | 128 | 72.8 Ų | 72.8 | 60% | 0.598 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -59.9 | -41.7 | -179.6 | -75.4 | -171.4 | -163.3 | 0 | 0 | 112.7 | L18 R24 | L18-E20 PolarHBondContact O-N 3.43Å; E20-R24 WeakPolarHBondContact O-CG 3.3Å; E20-R24 PolarHBondContact O-N 3.11Å; E20-R24 IonicContact OE2-CZ 3.97Å; E20-R24 IonicContact OE2-NH2 2.68Å; E20-R24 PolarHBondContact OE2-NH2 3.34Å |
| 21 | A | 86.5 | Confident | 85.7 | Confident | 63 Ų | 63 | 79.5 Ų | 79.5 | 52% | 0.521 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -68 | -41.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111 | L18 R19 Q25 | L18-A21 PolarHBondContact O-N 3.48Å; L18-A21 VanDerWaalsContact O-N 3.15Å; R19-A21 VanDerWaalsContact C-N 3.32Å; R19-A21 PolarHBondContact O-N 2.75Å; A21-Q25 WeakPolarHBondContact O-CB 3.44Å; A21-Q25 PolarHBondContact O-N 3.09Å |
| 22 | A | 87.3 | Confident | 85.3 | Confident | 5 Ų | 5 | 75.6 Ų | 75.6 | 4% | 0.041 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.1 | -44 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A9 T13 L18 R19 Q25 L26 | A9-A22 VanDerWaalsContact O-CB 3.24Å; A9-A22 WeakPolarHBondContact O-CB 3.46Å; T13-A22 HydrophobicContact CG2-CB 3.87Å; L18-A22 WeakPolarHBondContact O-CB 3.47Å; L18-A22 PolarHBondContact O-N 3.3Å; R19-A22 PolarHBondContact O-N 3.47Å; A22-Q25 PolarHBondContact O-N 3.29Å; A22-L26 WeakPolarHBondContact O-CG 3.45Å; A22-L26 PolarHBondContact O-N 2.95Å |
| 23 | E | 86.6 | Confident | 84.9 | Confident | 81 Ų | 81 | 80 Ų | 80 | 38% | 0.379 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64 | -42.7 | 177.4 | -75.3 | 175.1 | -174.7 | 0 | 0 | 111.5 | T13 R19 Q25 L26 N27 | T13-E23 HydrophobicContact CG2-CG 4.29Å; R19-E23 HydrophobicContact CG-CG 4.46Å; R19-E23 WeakPolarHBondContact CG-OE1 3.37Å; R19-E23 IonicContact NE-OE1 2.96Å; R19-E23 PolarHBondContact NE-OE1 3.08Å; R19-E23 WeakPolarHBondContact O-CB 3.42Å; R19-E23 WeakPolarHBondContact O-CG 3.41Å; R19-E23 PolarHBondContact O-N 2.97Å; E23-Q25 VanDerWaalsContact C-N 3.32Å; E23-Q25 PolarHBondContact O-N 3.06Å; E23-L26 PolarHBondContact O-N 2.99Å; E23-N27 VanDerWaalsContact O-CB 3.29Å; E23-N27 WeakPolarHBondContact O-CB 3.49Å; E23-N27 PolarHBondContact O-N 3.32Å; E23-N27 PolarHBondContact O-ND2 3.41Å |
| 24 | R | 85.7 | Confident | 84.8 | Confident | 155 Ų | 155 | 81.8 Ų | 81.8 | 59% | 0.585 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -59.2 | -44 | 172.1 | -74.4 | -179 | -162.8 | 147.5 | 17 | 111.6 | E20 N27 E28 | E20-R24 WeakPolarHBondContact O-CG 3.3Å; E20-R24 PolarHBondContact O-N 3.11Å; E20-R24 IonicContact OE2-CZ 3.97Å; E20-R24 IonicContact OE2-NH2 2.68Å; E20-R24 PolarHBondContact OE2-NH2 3.34Å; R24-N27 PolarHBondContact O-N 3.25Å; R24-E28 WeakPolarHBondContact O-CG 3.42Å; R24-E28 PolarHBondContact O-N 3.48Å |
| 25 | Q | 87.2 | Confident | 85 | Confident | 76 Ų | 76 | 77.4 Ų | 77.4 | 36% | 0.355 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 179.9 | -169.8 | 175.5 | 9.7 | 0 | 0 | 112.5 | A9 A21 A22 E23 E28 A29 | A9-Q25 HydrophobicContact CB-CG 4.49Å; A21-Q25 WeakPolarHBondContact O-CB 3.44Å; A21-Q25 PolarHBondContact O-N 3.09Å; A22-Q25 PolarHBondContact O-N 3.29Å; E23-Q25 VanDerWaalsContact C-N 3.32Å; E23-Q25 PolarHBondContact O-N 3.06Å; Q25-E28 PolarHBondContact O-N 3.11Å; Q25-A29 VanDerWaalsContact O-CB 3.25Å; Q25-A29 WeakPolarHBondContact O-CB 3.5Å; Q25-A29 PolarHBondContact O-N 2.99Å |
| 26 | L | 88.2 | Confident | 85.3 | Confident | 1 Ų | 1 | 74 Ų | 74 | 1% | 0.005 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66.8 | -38.9 | 174.3 | -69.1 | 169.9 | 0 | 0 | 0 | 111.5 | I6 A9 L10 T13 A22 E23 E28 A29 H30 F35 Y59 | I6-L26 HydrophobicContact CG2-CD2 4.22Å; A9-L26 HydrophobicContact CB-CD1 4.47Å; A9-L26 HydrophobicContact CB-CD2 3.86Å; A9-L26 HydrophobicContact CB-CG 3.88Å; L10-L26 HydrophobicContact CD2-CD1 4.05Å; L10-L26 HydrophobicContact CD2-CD2 4.42Å; T13-L26 HydrophobicContact CG2-CD1 3.62Å; A22-L26 WeakPolarHBondContact O-CG 3.45Å; A22-L26 PolarHBondContact O-N 2.95Å; E23-L26 PolarHBondContact O-N 2.99Å; L26-E28 VanDerWaalsContact C-N 3.34Å; L26-E28 PolarHBondContact O-N 3.06Å; L26-A29 PolarHBondContact O-N 3.49Å; L26-H30 PolarHBondContact O-N 3.43Å; L26-F35 HydrophobicContact CD2-CZ 4.27Å; L26-Y59 HydrophobicContact CB-CE2 3.67Å; L26-Y59 HydrophobicContact CD1-CD2 3.95Å; L26-Y59 HydrophobicContact CD1-CE2 3.86Å; L26-Y59 HydrophobicContact CG-CE2 4.31Å; L26-Y59 PolarHBondContact O-OH 3.17Å |
| 27 | N | 83.8 | Confident | 85.8 | Confident | 87 Ų | 87 | 68.7 Ų | 68.7 | 47% | 0.465 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.3 | -30.8 | 175.8 | -80.2 | -26.2 | 0 | 0 | 0 | 113.1 | E23 R24 H30 Y59 | E23-N27 VanDerWaalsContact O-CB 3.29Å; E23-N27 WeakPolarHBondContact O-CB 3.49Å; E23-N27 PolarHBondContact O-N 3.32Å; E23-N27 PolarHBondContact O-ND2 3.41Å; R24-N27 PolarHBondContact O-N 3.25Å; N27-H30 PolarHBondContact O-CE1 3.45Å; N27-H30 PolarHBondContact O-ND1 2.94Å; N27-Y59 PolarHBondContact OD1-OH 2.95Å |
| 28 | E | 83.6 | Confident | 86.1 | Confident | 157 Ų | 157 | 65.4 Ų | 65.4 | 73% | 0.734 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -75.3 | -36 | 170.6 | -71.9 | 177.6 | -176.1 | 0 | 0 | 111.6 | R24 Q25 L26 | R24-E28 WeakPolarHBondContact O-CG 3.42Å; R24-E28 PolarHBondContact O-N 3.48Å; Q25-E28 PolarHBondContact O-N 3.11Å; L26-E28 VanDerWaalsContact C-N 3.34Å; L26-E28 PolarHBondContact O-N 3.06Å |
| 29 | A | 82.7 | Confident | 86.5 | Confident | 5 Ų | 5 | 61 Ų | 61 | 4% | 0.041 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -74.3 | -31 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | M1 Q25 L26 K31 S32 F35 | M1-A29 HydrophobicContact CE-CB 3.66Å; M1-A29 HydrophobicContact SD-CB 3.51Å; M1-A29 VanDerWaalsContact SD-CB 3.51Å; Q25-A29 VanDerWaalsContact O-CB 3.25Å; Q25-A29 WeakPolarHBondContact O-CB 3.5Å; Q25-A29 PolarHBondContact O-N 2.99Å; L26-A29 PolarHBondContact O-N 3.49Å; A29-K31 PolarHBondContact O-N 3.34Å; A29-K31 VanDerWaalsContact O-N 3.09Å; A29-S32 WeakPolarHBondContact O-CB 3.49Å; A29-S32 PolarHBondContact O-N 3.31Å; A29-S32 PolarHBondContact O-OG 2.85Å; A29-F35 HydrophobicContact CB-CD2 4.01Å; A29-F35 HydrophobicContact CB-CE2 3.57Å; A29-F35 HydrophobicContact CB-CZ 4.33Å; A29-F35 WeakPolarHBondContact O-CD2 3.39Å |
| 30 | H | 82.9 | Confident | 87 | Confident | 12 Ų | 12 | 54.9 Ų | 54.9 | 6% | 0.056 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -24.3 | -168.5 | 79.4 | -90.4 | 0 | 0 | 0 | 114.2 | L26 N27 S32 F35 M63 Y81 | L26-H30 PolarHBondContact O-N 3.43Å; N27-H30 PolarHBondContact O-CE1 3.45Å; N27-H30 PolarHBondContact O-ND1 2.94Å; H30-S32 PolarHBondContact O-N 3.12Å; H30-F35 HydrophobicContact CB-CD1 3.95Å; H30-F35 HydrophobicContact CB-CE1 3.72Å; H30-F35 HydrophobicContact CB-CZ 4.29Å; H30-M63 HydrophobicContact CB-CE 4.04Å; H30-M63 HydrophobicContact CB-SD 3.71Å; H30-Y81 AromaticContact CD2-CD1 3.94Å; H30-Y81 AromaticContact CD2-CE1 3.7Å; H30-Y81 PolarHBondContact O-OH 2.63Å |
| 31 | K | 81.8 | Confident | 87.5 | Confident | 141 Ų | 141 | 54.9 Ų | 54.9 | 61% | 0.613 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -6.4 | 177.3 | -61.8 | -175.3 | 179.7 | 179 | 0 | 113.8 | A29 Y81 | A29-K31 PolarHBondContact O-N 3.34Å; A29-K31 VanDerWaalsContact O-N 3.09Å; K31-Y81 HydrophobicContact CB-CE2 4.26Å; K31-Y81 HydrophobicContact CG-CD2 4.1Å; K31-Y81 HydrophobicContact CG-CE2 4.22Å |
| 32 | S | 83.1 | Confident | 87.8 | Confident | 38 Ų | 38 | 52.2 Ų | 52.2 | 27% | 0.266 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -76.2 | 142.8 | 179.2 | 66 | 0 | 0 | 0 | 0 | 112.1 | A29 H30 F35 | A29-S32 WeakPolarHBondContact O-CB 3.49Å; A29-S32 PolarHBondContact O-N 3.31Å; A29-S32 PolarHBondContact O-OG 2.85Å; H30-S32 PolarHBondContact O-N 3.12Å; S32-F35 VanDerWaalsContact O-CB 3.25Å; S32-F35 WeakPolarHBondContact O-CB 3.5Å; S32-F35 PolarHBondContact O-N 2.86Å |
| 33 | L | 79.9 | Confident | 88.2 | Confident | 97 Ų | 97 | 52 Ų | 52 | 51% | 0.508 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 140.2 | 174.3 | -160 | 85.8 | 0 | 0 | 0 | 110 | F35 P84 | L33-F35 PolarHBondContact O-N 2.8Å; L33-P84 HydrophobicContact CD1-CB 4.15Å; L33-P84 HydrophobicContact CD1-CG 4.23Å |
| 34 | N | 86.9 | Confident | 88.6 | Confident | 66 Ų | 66 | 50.4 Ų | 50.4 | 35% | 0.353 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | 7.2 | -179.1 | -56.3 | -47.1 | 0 | 0 | 0 | 115.3 | T38 D87 | N34-T38 WeakPolarHBondContact O-CB 3.39Å; N34-T38 PolarHBondContact O-N 2.88Å; N34-T38 PolarHBondContact O-OG1 2.91Å; N34-D87 WeakPolarHBondContact CA-OD1 3.44Å; N34-D87 WeakPolarHBondContact CA-OD2 3.45Å; N34-D87 PolarHBondContact N-OD2 2.86Å |
| 35 | F | 90.7 | Very high | 89 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.009 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.3 | -48.2 | -178.8 | 179.9 | -97.7 | 0 | 0 | 0 | 111.9 | I6 L26 A29 H30 S32 L33 S37 T38 L39 Y59 | I6-F35 HydrophobicContact CD1-CD2 3.77Å; I6-F35 HydrophobicContact CD1-CE2 3.74Å; I6-F35 HydrophobicContact CG1-CE2 4.05Å; I6-F35 HydrophobicContact CG2-CE2 4.42Å; L26-F35 HydrophobicContact CD2-CZ 4.27Å; A29-F35 HydrophobicContact CB-CD2 4.01Å; A29-F35 HydrophobicContact CB-CE2 3.57Å; A29-F35 HydrophobicContact CB-CZ 4.33Å; A29-F35 WeakPolarHBondContact O-CD2 3.39Å; H30-F35 HydrophobicContact CB-CD1 3.95Å; H30-F35 HydrophobicContact CB-CE1 3.72Å; H30-F35 HydrophobicContact CB-CZ 4.29Å; S32-F35 VanDerWaalsContact O-CB 3.25Å; S32-F35 WeakPolarHBondContact O-CB 3.5Å; S32-F35 PolarHBondContact O-N 2.86Å; L33-F35 PolarHBondContact O-N 2.8Å; F35-S37 VanDerWaalsContact C-N 3.35Å; F35-S37 PolarHBondContact O-N 2.95Å; F35-T38 PolarHBondContact O-N 3.18Å; F35-T38 VanDerWaalsContact O-N 3.16Å; F35-L39 HydrophobicContact CD1-CD1 3.79Å; F35-L39 HydrophobicContact CD1-CG 4.3Å; F35-L39 HydrophobicContact CE1-CD1 3.24Å; F35-L39 HydrophobicContact CE1-CG 3.92Å; F35-L39 HydrophobicContact CZ-CD1 3.81Å; F35-L39 HydrophobicContact CZ-CD2 4.39Å; F35-L39 HydrophobicContact CZ-CG 4.11Å; F35-L39 PolarHBondContact O-N 3.43Å; F35-Y59 HydrophobicContact CE1-CD1 4.24Å; F35-Y59 AromaticContact CE1-CE1 3.74Å; F35-Y59 HydrophobicContact CE1-CE1 3.74Å; F35-Y59 HydrophobicContact CZ-CE1 4.04Å |
| 36 | V | 92.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65 | -41.5 | -179.3 | -175.2 | 0 | 0 | 0 | 0 | 110.4 | T38 L39 L40 L60 I83 D87 I91 | V36-T38 VanDerWaalsContact C-N 3.34Å; V36-T38 PolarHBondContact O-N 3.36Å; V36-L39 WeakPolarHBondContact O-CB 3.41Å; V36-L39 PolarHBondContact O-N 3.13Å; V36-L40 PolarHBondContact O-N 3.25Å; V36-L40 VanDerWaalsContact O-N 3.11Å; V36-L60 HydrophobicContact CG1-CD1 3.48Å; V36-L60 VanDerWaalsContact CG1-CD1 3.48Å; V36-I83 HydrophobicContact CB-CG2 4.41Å; V36-I83 HydrophobicContact CG2-CD1 4.22Å; V36-I83 HydrophobicContact CG2-CG1 4.16Å; V36-I83 HydrophobicContact CG2-CG2 4Å; V36-D87 HydrophobicContact CB-CB 4.33Å; V36-I91 HydrophobicContact CG1-CD1 3.94Å; V36-I91 HydrophobicContact CG1-CG1 3.82Å |
| 37 | S | 92.4 | Very high | 89.4 | Confident | 8 Ų | 8 | 58 Ų | 58 | 6% | 0.056 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 172.7 | -62.4 | 0 | 0 | 0 | 0 | 112.6 | F35 L40 Q41 D87 C90 | F35-S37 VanDerWaalsContact C-N 3.35Å; F35-S37 PolarHBondContact O-N 2.95Å; S37-L40 PolarHBondContact O-N 3.46Å; S37-Q41 WeakPolarHBondContact O-CG 3.45Å; S37-Q41 PolarHBondContact O-N 3.33Å; S37-Q41 VanDerWaalsContact O-N 3.14Å; S37-D87 VanDerWaalsContact CB-OD1 3.27Å; S37-D87 WeakPolarHBondContact CB-OD1 3.36Å; S37-D87 PolarHBondContact N-OD1 3.44Å; S37-D87 VanDerWaalsContact N-OD1 3.07Å; S37-D87 PolarHBondContact OG-OD1 3.24Å; S37-C90 VanDerWaalsContact OG-CB 3.26Å; S37-C90 WeakPolarHBondContact OG-CB 3.23Å; S37-C90 PolarHBondContact OG-SG 3.06Å |
| 38 | T | 92.7 | Very high | 89.8 | Confident | 19 Ų | 19 | 55 Ų | 55 | 12% | 0.117 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.5 | -38.3 | 178.4 | -54.7 | 0 | 0 | 0 | 0 | 111.1 | P3 I6 N34 F35 V36 L40 Q41 I42 | P3-T38 HydrophobicContact CB-CG2 4.12Å; P3-T38 HydrophobicContact CG-CG2 3.99Å; I6-T38 HydrophobicContact CD1-CG2 3.86Å; N34-T38 WeakPolarHBondContact O-CB 3.39Å; N34-T38 PolarHBondContact O-N 2.88Å; N34-T38 PolarHBondContact O-OG1 2.91Å; F35-T38 PolarHBondContact O-N 3.18Å; F35-T38 VanDerWaalsContact O-N 3.16Å; V36-T38 VanDerWaalsContact C-N 3.34Å; V36-T38 PolarHBondContact O-N 3.36Å; T38-L40 VanDerWaalsContact C-N 3.34Å; T38-L40 PolarHBondContact O-N 3.38Å; T38-Q41 WeakPolarHBondContact O-CB 3.23Å; T38-Q41 PolarHBondContact O-N 3.05Å; T38-I42 HydrophobicContact CG2-CD1 3.95Å; T38-I42 HydrophobicContact CG2-CG1 4.41Å; T38-I42 VanDerWaalsContact O-CG1 3.3Å; T38-I42 WeakPolarHBondContact O-CG1 3.38Å; T38-I42 PolarHBondContact O-N 3.39Å |
| 39 | L | 93.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.2 | -40.7 | 174.3 | -80.8 | 177.1 | 0 | 0 | 0 | 112.6 | I6 L10 F35 V36 I42 T43 Y59 L60 | I6-L39 HydrophobicContact CG2-CD2 3.75Å; L10-L39 HydrophobicContact CD1-CD2 4.2Å; F35-L39 HydrophobicContact CD1-CD1 3.79Å; F35-L39 HydrophobicContact CD1-CG 4.3Å; F35-L39 HydrophobicContact CE1-CD1 3.24Å; F35-L39 HydrophobicContact CE1-CG 3.92Å; F35-L39 HydrophobicContact CZ-CD1 3.81Å; F35-L39 HydrophobicContact CZ-CD2 4.39Å; F35-L39 HydrophobicContact CZ-CG 4.11Å; F35-L39 PolarHBondContact O-N 3.43Å; V36-L39 WeakPolarHBondContact O-CB 3.41Å; V36-L39 PolarHBondContact O-N 3.13Å; L39-I42 PolarHBondContact O-N 2.76Å; L39-T43 WeakPolarHBondContact O-CB 3.39Å; L39-T43 PolarHBondContact O-N 2.99Å; L39-T43 PolarHBondContact O-OG1 3.42Å; L39-Y59 HydrophobicContact CD1-CD1 3.64Å; L39-Y59 HydrophobicContact CD1-CE1 4.28Å; L39-L60 HydrophobicContact CB-CD1 4.41Å |
| 40 | L | 95.3 | Very high | 90.6 | Very high | 11 Ų | 11 | 55.2 Ų | 55.2 | 6% | 0.058 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 174.5 | -178 | 62.6 | 0 | 0 | 0 | 111.2 | V36 S37 T38 T43 M44 L60 I91 N94 A98 L110 | V36-L40 PolarHBondContact O-N 3.25Å; V36-L40 VanDerWaalsContact O-N 3.11Å; S37-L40 PolarHBondContact O-N 3.46Å; T38-L40 VanDerWaalsContact C-N 3.34Å; T38-L40 PolarHBondContact O-N 3.38Å; L40-T43 WeakPolarHBondContact O-CB 3.43Å; L40-T43 PolarHBondContact O-N 2.71Å; L40-M44 HydrophobicContact CD1-CG 4.27Å; L40-M44 WeakPolarHBondContact O-CG 3.25Å; L40-M44 PolarHBondContact O-N 2.99Å; L40-L60 HydrophobicContact CB-CD2 4.16Å; L40-L60 HydrophobicContact CD1-CD2 3.92Å; L40-I91 HydrophobicContact CB-CD1 3.78Å; L40-I91 HydrophobicContact CD2-CD1 3.63Å; L40-I91 HydrophobicContact CG-CD1 4.29Å; L40-N94 HydrophobicContact CD2-CB 3.84Å; L40-A98 HydrophobicContact CD1-CB 3.94Å; L40-L110 HydrophobicContact CD1-CD2 4.01Å |
| 41 | Q | 94.3 | Very high | 91.1 | Very high | 129 Ų | 129 | 57.7 Ų | 57.7 | 60% | 0.603 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -62.2 | -43.8 | 176.2 | -69.3 | 176.6 | 0.9 | 0 | 0 | 112.4 | S37 T38 M44 S45 | S37-Q41 WeakPolarHBondContact O-CG 3.45Å; S37-Q41 PolarHBondContact O-N 3.33Å; S37-Q41 VanDerWaalsContact O-N 3.14Å; T38-Q41 WeakPolarHBondContact O-CB 3.23Å; T38-Q41 PolarHBondContact O-N 3.05Å; Q41-M44 PolarHBondContact O-N 3.32Å; Q41-S45 PolarHBondContact O-N 2.85Å |
| 42 | I | 93.7 | Very high | 91.7 | Very high | 7 Ų | 7 | 51.1 Ų | 51.1 | 4% | 0.036 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.8 | -48.1 | 175.9 | -71.8 | 168 | 0 | 0 | 0 | 110 | I6 I7 L10 T38 L39 M44 S45 L48 | I6-I42 HydrophobicContact CB-CD1 3.73Å; I6-I42 HydrophobicContact CD1-CD1 4.39Å; I6-I42 HydrophobicContact CG2-CD1 3.6Å; I7-I42 HydrophobicContact CD1-CG1 4.37Å; I7-I42 HydrophobicContact CG1-CD1 4.03Å; I7-I42 HydrophobicContact CG1-CG1 4.09Å; I7-I42 HydrophobicContact CG1-CG2 4Å; L10-I42 HydrophobicContact CD1-CG2 3.98Å; T38-I42 HydrophobicContact CG2-CD1 3.95Å; T38-I42 HydrophobicContact CG2-CG1 4.41Å; T38-I42 VanDerWaalsContact O-CG1 3.3Å; T38-I42 WeakPolarHBondContact O-CG1 3.38Å; T38-I42 PolarHBondContact O-N 3.39Å; L39-I42 PolarHBondContact O-N 2.76Å; I42-M44 PolarHBondContact O-N 3Å; I42-S45 WeakPolarHBondContact O-CB 3.41Å; I42-S45 PolarHBondContact O-N 2.92Å; I42-S45 VanDerWaalsContact O-N 3.12Å; I42-L48 HydrophobicContact CB-CD1 4.45Å; I42-L48 HydrophobicContact CG2-CD1 3.65Å |
| 43 | T | 94.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.6 | -38.6 | 178.7 | -64.1 | 0 | 0 | 0 | 0 | 112.3 | L39 L40 R53 V57 I106 | L39-T43 WeakPolarHBondContact O-CB 3.39Å; L39-T43 PolarHBondContact O-N 2.99Å; L39-T43 PolarHBondContact O-OG1 3.42Å; L40-T43 WeakPolarHBondContact O-CB 3.43Å; L40-T43 PolarHBondContact O-N 2.71Å; T43-R53 PolarHBondContact O-NE 3.42Å; T43-R53 PolarHBondContact O-NH2 3.3Å; T43-V57 HydrophobicContact CG2-CB 3.62Å; T43-V57 HydrophobicContact CG2-CG2 3.91Å; T43-V57 PolarHBondContact OG1-N 3.48Å; T43-I106 HydrophobicContact CG2-CG2 3.58Å |
| 44 | M | 94.8 | Very high | 92.9 | Very high | 48 Ų | 48 | 48.6 Ų | 48.6 | 24% | 0.236 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -90.1 | -2.3 | -178 | -65.2 | -55.2 | -60.1 | 0 | 0 | 114.1 | L40 Q41 I42 E46 A98 H101 L110 | L40-M44 HydrophobicContact CD1-CG 4.27Å; L40-M44 WeakPolarHBondContact O-CG 3.25Å; L40-M44 PolarHBondContact O-N 2.99Å; Q41-M44 PolarHBondContact O-N 3.32Å; I42-M44 PolarHBondContact O-N 3Å; M44-E46 PolarHBondContact O-N 3.41Å; M44-A98 HydrophobicContact CE-CB 4.26Å; M44-A98 HydrophobicContact CG-CB 3.95Å; M44-A98 HydrophobicContact SD-CB 3.8Å; M44-H101 HydrophobicContact CE-CB 4.19Å; M44-L110 HydrophobicContact SD-CD1 4.2Å |
| 45 | S | 94.4 | Very high | 93.2 | Very high | 34 Ų | 34 | 46.2 Ų | 46.2 | 24% | 0.238 | 24% | 0.236 | C | C | . | . | trans | -73.8 | 112.6 | 179.2 | -176.8 | 0 | 0 | 0 | 0 | 111.7 | Q41 I42 Q47 L48 R53 | Q41-S45 PolarHBondContact O-N 2.85Å; I42-S45 WeakPolarHBondContact O-CB 3.41Å; I42-S45 PolarHBondContact O-N 2.92Å; I42-S45 VanDerWaalsContact O-N 3.12Å; S45-Q47 PolarHBondContact O-N 3.46Å; S45-L48 PolarHBondContact O-N 3.48Å; S45-R53 WeakPolarHBondContact O-CD 3.33Å | ||
| 46 | E | 91.2 | Very high | 93.4 | Very high | 171 Ų | 171 | 46.1 Ų | 46.1 | 80% | 0.799 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -12.5 | 175.4 | -63.8 | -176.8 | 171.9 | 0 | 0 | 113.6 | M44 L48 | M44-E46 PolarHBondContact O-N 3.41Å; E46-L48 VanDerWaalsContact C-N 3.26Å; E46-L48 PolarHBondContact O-N 3.33Å |
| 47 | Q | 92.4 | Very high | 93.6 | Very high | 185 Ų | 185 | 46.1 Ų | 46.1 | 86% | 0.864 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78 | -12.1 | 176.7 | -61.5 | -178.9 | -6.1 | 0 | 0 | 112.9 | S45 | S45-Q47 PolarHBondContact O-N 3.46Š|
| 48 | L | 92.5 | Very high | 93.7 | Very high | 26 Ų | 26 | 49.2 Ų | 49.2 | 14% | 0.136 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -100.2 | 144.4 | -179.9 | -62.8 | 177.4 | 0 | 0 | 0 | 111.1 | I7 I42 S45 E46 R53 | I7-L48 HydrophobicContact CD1-CD1 3.93Å; I7-L48 HydrophobicContact CD1-CD2 4.05Å; I7-L48 HydrophobicContact CG1-CD1 3.96Å; I7-L48 HydrophobicContact CG1-CD2 4.43Å; I7-L48 HydrophobicContact CG2-CD2 4.01Å; I42-L48 HydrophobicContact CB-CD1 4.45Å; I42-L48 HydrophobicContact CG2-CD1 3.65Å; S45-L48 PolarHBondContact O-N 3.48Å; E46-L48 VanDerWaalsContact C-N 3.26Å; E46-L48 PolarHBondContact O-N 3.33Å; L48-R53 HydrophobicContact CB-CG 3.89Å; L48-R53 VanDerWaalsContact O-CD 3.22Å; L48-R53 WeakPolarHBondContact O-CD 3.49Å |
| 49 | D | 92.6 | Very high | 93.7 | Very high | 97 Ų | 97 | 49.9 Ų | 49.9 | 52% | 0.519 | 25% | 0.251 | S | S | . | . | trans | -62.1 | 144.7 | 175.9 | -48.5 | -57.9 | 0 | 0 | 0 | 110.7 | R11 P51 V52 R53 | R11-D49 IonicContact NH2-OD2 3.19Å; R11-D49 PolarHBondContact NH2-OD2 2.79Å; D49-P51 VanDerWaalsContact C-CD 3.45Å; D49-P51 VanDerWaalsContact C-N 3.35Å; D49-V52 PolarHBondContact O-N 3.39Å; D49-V52 VanDerWaalsContact O-N 3.11Å; D49-R53 PolarHBondContact O-N 2.99Å | ||
| 50 | L | 91.6 | Very high | 93.8 | Very high | 69 Ų | 69 | 49.9 Ų | 49.9 | 36% | 0.361 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -53.5 | -40.8 | -176.7 | -175.2 | 63 | 0 | 0 | 0 | 114 | V52 R53 Q54 P103 L105 I106 | L50-V52 VanDerWaalsContact C-N 3.33Å; L50-V52 PolarHBondContact O-N 2.82Å; L50-R53 PolarHBondContact O-N 3.01Å; L50-Q54 HydrophobicContact CD1-CG 4.35Å; L50-Q54 HydrophobicContact CG-CG 4.31Å; L50-Q54 WeakPolarHBondContact O-CG 3.27Å; L50-Q54 PolarHBondContact O-N 3.31Å; L50-P103 HydrophobicContact CD1-CG 4.04Å; L50-L105 HydrophobicContact CD2-CD1 4.35Å; L50-I106 HydrophobicContact CD1-CD1 3.95Å; L50-I106 HydrophobicContact CD1-CG1 4.23Å |
| 51 | P | 93.1 | Very high | 93.8 | Very high | 63 Ų | 63 | 51.8 Ų | 51.8 | 41% | 0.409 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.9 | -39.1 | 177.9 | -26.5 | 36.6 | 0 | 0 | 0 | 113.8 | M14 D49 R53 Q54 A55 | M14-P51 HydrophobicContact CE-CB 4.14Å; M14-P51 HydrophobicContact SD-CB 3.62Å; D49-P51 VanDerWaalsContact C-CD 3.45Å; D49-P51 VanDerWaalsContact C-N 3.35Å; P51-R53 VanDerWaalsContact C-N 3.34Å; P51-Q54 WeakPolarHBondContact O-CB 3.36Å; P51-Q54 PolarHBondContact O-N 3.18Å; P51-A55 PolarHBondContact O-N 3.24Å |
| 52 | V | 93.6 | Very high | 93.7 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.018 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67.7 | -39.7 | 177.9 | -176.5 | 0 | 0 | 0 | 0 | 110.7 | I7 L10 R11 M14 D49 L50 Q54 A55 G56 | I7-V52 HydrophobicContact CG2-CG1 4.27Å; L10-V52 HydrophobicContact CB-CG1 4.23Å; R11-V52 HydrophobicContact CG-CG1 4.31Å; R11-V52 HydrophobicContact CG-CG2 3.54Å; M14-V52 HydrophobicContact CE-CG2 3.89Å; D49-V52 PolarHBondContact O-N 3.39Å; D49-V52 VanDerWaalsContact O-N 3.11Å; L50-V52 VanDerWaalsContact C-N 3.33Å; L50-V52 PolarHBondContact O-N 2.82Å; V52-Q54 VanDerWaalsContact C-N 3.33Å; V52-A55 PolarHBondContact O-N 3.44Å; V52-G56 PolarHBondContact O-N 3.17Å |
| 53 | R | 95.9 | Very high | 93.7 | Very high | 27 Ų | 27 | 49.3 Ų | 49.3 | 10% | 0.102 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67.2 | -36.3 | 176.5 | -61.7 | 169.6 | 62.1 | -179.4 | 2.4 | 111.5 | T43 S45 L48 D49 L50 P51 G56 V57 I106 | T43-R53 PolarHBondContact O-NE 3.42Å; T43-R53 PolarHBondContact O-NH2 3.3Å; S45-R53 WeakPolarHBondContact O-CD 3.33Å; L48-R53 HydrophobicContact CB-CG 3.89Å; L48-R53 VanDerWaalsContact O-CD 3.22Å; L48-R53 WeakPolarHBondContact O-CD 3.49Å; D49-R53 PolarHBondContact O-N 2.99Å; L50-R53 PolarHBondContact O-N 3.01Å; P51-R53 VanDerWaalsContact C-N 3.34Å; R53-G56 PolarHBondContact O-N 3.17Å; R53-V57 PolarHBondContact O-N 3.43Å; R53-I106 HydrophobicContact CB-CD1 3.63Å |
| 54 | Q | 93.7 | Very high | 93.7 | Very high | 55 Ų | 55 | 49.3 Ų | 49.3 | 26% | 0.257 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64.3 | -47.8 | 173.2 | -75.5 | 173.6 | -39 | 0 | 0 | 111.6 | L50 P51 V52 G56 V57 I58 | L50-Q54 HydrophobicContact CD1-CG 4.35Å; L50-Q54 HydrophobicContact CG-CG 4.31Å; L50-Q54 WeakPolarHBondContact O-CG 3.27Å; L50-Q54 PolarHBondContact O-N 3.31Å; P51-Q54 WeakPolarHBondContact O-CB 3.36Å; P51-Q54 PolarHBondContact O-N 3.18Å; V52-Q54 VanDerWaalsContact C-N 3.33Å; Q54-G56 VanDerWaalsContact C-N 3.27Å; Q54-G56 PolarHBondContact O-N 3.37Å; Q54-V57 VanDerWaalsContact O-CG1 3.3Å; Q54-V57 WeakPolarHBondContact O-CG1 3.37Å; Q54-V57 PolarHBondContact O-N 2.96Å; Q54-I58 WeakPolarHBondContact O-CB 3.26Å; Q54-I58 WeakPolarHBondContact O-CD1 3.44Å; Q54-I58 VanDerWaalsContact O-CG1 3.23Å; Q54-I58 WeakPolarHBondContact O-CG1 3.36Å; Q54-I58 PolarHBondContact O-N 3.4Å |
| 55 | A | 92.6 | Very high | 93.6 | Very high | 16 Ų | 16 | 49.5 Ų | 49.5 | 13% | 0.132 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.5 | -43.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L10 P51 V52 I58 Y59 | L10-A55 HydrophobicContact CB-CB 4.44Å; L10-A55 HydrophobicContact CD2-CB 4.28Å; P51-A55 PolarHBondContact O-N 3.24Å; V52-A55 PolarHBondContact O-N 3.44Å; A55-I58 PolarHBondContact O-N 3.18Å; A55-Y59 PolarHBondContact O-N 2.95Å |
| 56 | G | 94.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.8 | -46.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | V52 R53 Q54 Y59 L60 | V52-G56 PolarHBondContact O-N 3.17Å; R53-G56 PolarHBondContact O-N 3.17Å; Q54-G56 VanDerWaalsContact C-N 3.27Å; Q54-G56 PolarHBondContact O-N 3.37Å; G56-Y59 PolarHBondContact O-N 3.49Å; G56-L60 WeakPolarHBondContact O-CB 3.38Å; G56-L60 PolarHBondContact O-N 3.35Å |
| 57 | V | 96.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -72.1 | -32.7 | 180 | 76.1 | 0 | 0 | 0 | 0 | 112.6 | T43 R53 Q54 L60 K61 I106 Q109 L110 | T43-V57 HydrophobicContact CG2-CB 3.62Å; T43-V57 HydrophobicContact CG2-CG2 3.91Å; T43-V57 PolarHBondContact OG1-N 3.48Å; R53-V57 PolarHBondContact O-N 3.43Å; Q54-V57 VanDerWaalsContact O-CG1 3.3Å; Q54-V57 WeakPolarHBondContact O-CG1 3.37Å; Q54-V57 PolarHBondContact O-N 2.96Å; V57-L60 PolarHBondContact O-N 2.94Å; V57-K61 WeakPolarHBondContact O-CB 3.48Å; V57-K61 PolarHBondContact O-N 2.83Å; V57-I106 HydrophobicContact CB-CG2 4.28Å; V57-I106 HydrophobicContact CG1-CG1 4.48Å; V57-I106 HydrophobicContact CG1-CG2 4.41Å; V57-I106 HydrophobicContact CG2-CG2 4.09Å; V57-Q109 HydrophobicContact CB-CB 4.23Å; V57-Q109 HydrophobicContact CG1-CB 3.65Å; V57-Q109 HydrophobicContact CG1-CG 3.74Å; V57-Q109 HydrophobicContact CG2-CB 3.58Å; V57-L110 HydrophobicContact CG2-CD2 3.71Å; V57-L110 HydrophobicContact CG2-CG 3.82Å |
| 58 | I | 93.9 | Very high | 93.3 | Very high | 73 Ų | 73 | 37.2 Ų | 37.2 | 37% | 0.374 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.4 | -45.4 | 174.5 | -70 | 165.7 | 0 | 0 | 0 | 109.5 | Q54 A55 K61 N62 | Q54-I58 WeakPolarHBondContact O-CB 3.26Å; Q54-I58 WeakPolarHBondContact O-CD1 3.44Å; Q54-I58 VanDerWaalsContact O-CG1 3.23Å; Q54-I58 WeakPolarHBondContact O-CG1 3.36Å; Q54-I58 PolarHBondContact O-N 3.4Å; A55-I58 PolarHBondContact O-N 3.18Å; I58-K61 WeakPolarHBondContact O-CB 3.49Å; I58-K61 PolarHBondContact O-N 2.89Å; I58-N62 VanDerWaalsContact O-CG 3.29Å; I58-N62 PolarHBondContact O-N 2.9Å; I58-N62 PolarHBondContact O-OD1 2.87Å |
| 59 | Y | 93.8 | Very high | 93.1 | Very high | 34 Ų | 34 | 37.4 Ų | 37.4 | 13% | 0.133 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.6 | -42.4 | 175.7 | -160.4 | -79.6 | 0 | 0 | 0 | 111.7 | L26 N27 F35 L39 A55 G56 K61 N62 M63 | L26-Y59 HydrophobicContact CB-CE2 3.67Å; L26-Y59 HydrophobicContact CD1-CD2 3.95Å; L26-Y59 HydrophobicContact CD1-CE2 3.86Å; L26-Y59 HydrophobicContact CG-CE2 4.31Å; L26-Y59 PolarHBondContact O-OH 3.17Å; N27-Y59 PolarHBondContact OD1-OH 2.95Å; F35-Y59 HydrophobicContact CE1-CD1 4.24Å; F35-Y59 AromaticContact CE1-CE1 3.74Å; F35-Y59 HydrophobicContact CE1-CE1 3.74Å; F35-Y59 HydrophobicContact CZ-CE1 4.04Å; L39-Y59 HydrophobicContact CD1-CD1 3.64Å; L39-Y59 HydrophobicContact CD1-CE1 4.28Å; A55-Y59 PolarHBondContact O-N 2.95Å; G56-Y59 PolarHBondContact O-N 3.49Å; Y59-K61 PolarHBondContact O-N 3.29Å; Y59-N62 PolarHBondContact O-N 3.37Å; Y59-M63 HydrophobicContact CD1-CG 3.7Å; Y59-M63 HydrophobicContact CE1-CE 3.96Å; Y59-M63 HydrophobicContact CE1-CG 3.6Å; Y59-M63 HydrophobicContact CE1-SD 3.96Å; Y59-M63 WeakPolarHBondContact O-CB 3.47Å; Y59-M63 VanDerWaalsContact O-CG 3.3Å; Y59-M63 WeakPolarHBondContact O-CG 3.47Å; Y59-M63 PolarHBondContact O-N 2.84Å |
| 60 | L | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.5 | -44.2 | 174.7 | 178.1 | 62.3 | 0 | 0 | 0 | 111.9 | V36 L39 L40 G56 V57 M63 I64 L110 | V36-L60 HydrophobicContact CG1-CD1 3.48Å; V36-L60 VanDerWaalsContact CG1-CD1 3.48Å; L39-L60 HydrophobicContact CB-CD1 4.41Å; L40-L60 HydrophobicContact CB-CD2 4.16Å; L40-L60 HydrophobicContact CD1-CD2 3.92Å; G56-L60 WeakPolarHBondContact O-CB 3.38Å; G56-L60 PolarHBondContact O-N 3.35Å; V57-L60 PolarHBondContact O-N 2.94Å; L60-M63 WeakPolarHBondContact O-CB 3.45Å; L60-M63 PolarHBondContact O-N 3.26Å; L60-I64 HydrophobicContact CD1-CD1 3.84Å; L60-I64 HydrophobicContact CD1-CG1 4.26Å; L60-I64 HydrophobicContact CG-CD1 3.98Å; L60-I64 WeakPolarHBondContact O-CG1 3.38Å; L60-I64 PolarHBondContact O-N 3.48Å; L60-L110 HydrophobicContact CD2-CD2 4.09Å |
| 61 | K | 95.8 | Very high | 91.6 | Very high | 51 Ų | 51 | 39.8 Ų | 39.8 | 22% | 0.222 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59 | -49.2 | 175.1 | 178.3 | -154.7 | 65.6 | 178.9 | 0 | 110.9 | V57 I58 Y59 M63 I64 T65 T112 C113 | V57-K61 WeakPolarHBondContact O-CB 3.48Å; V57-K61 PolarHBondContact O-N 2.83Å; I58-K61 WeakPolarHBondContact O-CB 3.49Å; I58-K61 PolarHBondContact O-N 2.89Å; Y59-K61 PolarHBondContact O-N 3.29Å; K61-M63 VanDerWaalsContact C-N 3.3Å; K61-M63 PolarHBondContact O-N 3.48Å; K61-I64 PolarHBondContact O-N 3.46Å; K61-T65 VanDerWaalsContact O-CB 3.31Å; K61-T65 WeakPolarHBondContact O-CB 3.38Å; K61-T65 PolarHBondContact O-N 3.08Å; K61-T65 PolarHBondContact O-OG1 2.92Å; K61-T112 HydrophobicContact CD-CG2 4.02Å; K61-T112 HydrophobicContact CG-CG2 4Å; K61-C113 VanDerWaalsContact CA-SG 3.5Å |
| 62 | N | 92.4 | Very high | 90 | Very high | 77 Ų | 77 | 46.2 Ų | 46.2 | 41% | 0.412 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.1 | -42.2 | 179.8 | -67.1 | -5.4 | 0 | 0 | 0 | 110.9 | I58 Y59 T65 Q66 | I58-N62 VanDerWaalsContact O-CG 3.29Å; I58-N62 PolarHBondContact O-N 2.9Å; I58-N62 PolarHBondContact O-OD1 2.87Å; Y59-N62 PolarHBondContact O-N 3.37Å; N62-T65 PolarHBondContact O-N 2.9Å; N62-Q66 VanDerWaalsContact O-CB 3.23Å; N62-Q66 WeakPolarHBondContact O-CB 3.38Å; N62-Q66 PolarHBondContact O-N 2.83Å |
| 63 | M | 92.9 | Very high | 88.3 | Confident | 6 Ų | 6 | 49 Ų | 49 | 3% | 0.03 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58 | -50.9 | 174.4 | -75.7 | -82.1 | 104.1 | 0 | 0 | 112.7 | H30 Y59 L60 K61 Q66 Y67 | H30-M63 HydrophobicContact CB-CE 4.04Å; H30-M63 HydrophobicContact CB-SD 3.71Å; Y59-M63 HydrophobicContact CD1-CG 3.7Å; Y59-M63 HydrophobicContact CE1-CE 3.96Å; Y59-M63 HydrophobicContact CE1-CG 3.6Å; Y59-M63 HydrophobicContact CE1-SD 3.96Å; Y59-M63 WeakPolarHBondContact O-CB 3.47Å; Y59-M63 VanDerWaalsContact O-CG 3.3Å; Y59-M63 WeakPolarHBondContact O-CG 3.47Å; Y59-M63 PolarHBondContact O-N 2.84Å; L60-M63 WeakPolarHBondContact O-CB 3.45Å; L60-M63 PolarHBondContact O-N 3.26Å; K61-M63 VanDerWaalsContact C-N 3.3Å; K61-M63 PolarHBondContact O-N 3.48Å; M63-Q66 PolarHBondContact O-N 3.27Å; M63-Y67 HydrophobicContact CE-CD2 3.48Å; M63-Y67 VanDerWaalsContact CE-CD2 3.48Å; M63-Y67 HydrophobicContact CE-CE2 3.15Å; M63-Y67 WeakPolarHBondContact O-CB 3.42Å; M63-Y67 WeakPolarHBondContact O-CD2 3.2Å; M63-Y67 PolarHBondContact O-N 2.88Å; M63-Y67 HydrophobicContact SD-CD2 4.06Å; M63-Y67 HydrophobicContact SD-CE2 4.3Å |
| 64 | I | 94.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.8 | -43.7 | -179.5 | -70 | 171.8 | 0 | 0 | 0 | 110.5 | L60 K61 Q66 W68 I83 I91 C113 H116 I117 | L60-I64 HydrophobicContact CD1-CD1 3.84Å; L60-I64 HydrophobicContact CD1-CG1 4.26Å; L60-I64 HydrophobicContact CG-CD1 3.98Å; L60-I64 WeakPolarHBondContact O-CG1 3.38Å; L60-I64 PolarHBondContact O-N 3.48Å; K61-I64 PolarHBondContact O-N 3.46Å; I64-Q66 VanDerWaalsContact C-N 3.32Å; I64-Q66 PolarHBondContact O-N 2.96Å; I64-W68 HydrophobicContact CB-CE3 4.46Å; I64-W68 HydrophobicContact CG1-CE3 4.05Å; I64-W68 HydrophobicContact CG1-CZ3 4.35Å; I64-W68 HydrophobicContact CG2-CB 4.24Å; I64-W68 HydrophobicContact CG2-CD2 4.36Å; I64-W68 HydrophobicContact CG2-CE3 4.06Å; I64-W68 HydrophobicContact CG2-CG 4.47Å; I64-W68 WeakPolarHBondContact O-CB 3.47Å; I64-W68 PolarHBondContact O-N 3.46Å; I64-W68 VanDerWaalsContact O-N 3.16Å; I64-I83 HydrophobicContact CG1-CD1 4.38Å; I64-I91 HydrophobicContact CD1-CG2 4.22Å; I64-C113 HydrophobicContact CD1-CB 3.67Å; I64-C113 HydrophobicContact CG2-CB 4.44Å; I64-H116 HydrophobicContact CG2-CB 4.05Å; I64-I117 HydrophobicContact CD1-CD1 4.41Å; I64-I117 HydrophobicContact CG2-CG1 4.01Å |
| 65 | T | 91.4 | Very high | 84.3 | Confident | 53 Ų | 53 | 54.5 Ų | 54.5 | 33% | 0.325 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 179.9 | -54.7 | 0 | 0 | 0 | 0 | 111.4 | K61 N62 | K61-T65 VanDerWaalsContact O-CB 3.31Å; K61-T65 WeakPolarHBondContact O-CB 3.38Å; K61-T65 PolarHBondContact O-N 3.08Å; K61-T65 PolarHBondContact O-OG1 2.92Å; N62-T65 PolarHBondContact O-N 2.9Å |
| 66 | Q | 89 | Confident | 82.8 | Confident | 88 Ų | 88 | 57.6 Ų | 57.6 | 41% | 0.411 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -86.6 | -37.6 | -172.4 | -170.1 | 175.4 | 15.2 | 0 | 0 | 114 | N62 M63 I64 R71 | N62-Q66 VanDerWaalsContact O-CB 3.23Å; N62-Q66 WeakPolarHBondContact O-CB 3.38Å; N62-Q66 PolarHBondContact O-N 2.83Å; M63-Q66 PolarHBondContact O-N 3.27Å; I64-Q66 VanDerWaalsContact C-N 3.32Å; I64-Q66 PolarHBondContact O-N 2.96Å; Q66-R71 PolarHBondContact O-NH2 3.4Å |
| 67 | Y | 91.4 | Very high | 81.2 | Confident | 41 Ų | 41 | 63.4 Ų | 63.4 | 16% | 0.161 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -120.8 | 5.5 | -166.4 | -53.3 | -72 | 0 | 0 | 0 | 114.6 | M63 Y81 I83 | M63-Y67 HydrophobicContact CE-CD2 3.48Å; M63-Y67 VanDerWaalsContact CE-CD2 3.48Å; M63-Y67 HydrophobicContact CE-CE2 3.15Å; M63-Y67 WeakPolarHBondContact O-CB 3.42Å; M63-Y67 WeakPolarHBondContact O-CD2 3.2Å; M63-Y67 PolarHBondContact O-N 2.88Å; M63-Y67 HydrophobicContact SD-CD2 4.06Å; M63-Y67 HydrophobicContact SD-CE2 4.3Å; Y67-Y81 AromaticContact CD1-CD1 3.69Å; Y67-Y81 HydrophobicContact CD1-CD1 3.69Å; Y67-Y81 HydrophobicContact CD1-CE1 4.46Å; Y67-Y81 VanDerWaalsContact CD1-O 3.29Å; Y67-Y81 WeakPolarHBondContact CD1-O 3.45Å; Y67-Y81 HydrophobicContact CD2-CD1 4.48Å; Y67-Y81 HydrophobicContact CE1-CD1 4.13Å; Y67-Y81 AromaticContact CG-CD1 3.85Å; Y67-Y81 HydrophobicContact CG-CD1 3.85Å; Y67-Y81 HydrophobicContact CG-CE1 4.17Å; Y67-I83 PolarHBondContact O-N 2.99Å |
| 68 | W | 93 | Very high | 79.6 | Confident | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.008 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -75.2 | -42.2 | 170.5 | -160.6 | -84.5 | 0 | 0 | 0 | 114.2 | I64 I83 R88 I91 R92 I117 D121 | I64-W68 HydrophobicContact CB-CE3 4.46Å; I64-W68 HydrophobicContact CG1-CE3 4.05Å; I64-W68 HydrophobicContact CG1-CZ3 4.35Å; I64-W68 HydrophobicContact CG2-CB 4.24Å; I64-W68 HydrophobicContact CG2-CD2 4.36Å; I64-W68 HydrophobicContact CG2-CE3 4.06Å; I64-W68 HydrophobicContact CG2-CG 4.47Å; I64-W68 WeakPolarHBondContact O-CB 3.47Å; I64-W68 PolarHBondContact O-N 3.46Å; I64-W68 VanDerWaalsContact O-N 3.16Å; W68-I83 HydrophobicContact CE3-CD1 3.91Å; W68-R88 HydrophobicContact CD2-CG 4.35Å; W68-R88 HydrophobicContact CE3-CG 4.15Å; W68-R88 VanDerWaalsContact CH2-CA 3.49Å; W68-R88 HydrophobicContact CH2-CB 3.62Å; W68-R88 HydrophobicContact CH2-CG 3.8Å; W68-R88 HydrophobicContact CZ2-CB 3.85Å; W68-R88 HydrophobicContact CZ2-CG 3.97Å; W68-R88 HydrophobicContact CZ3-CB 4.15Å; W68-R88 HydrophobicContact CZ3-CG 3.88Å; W68-R88 VanDerWaalsContact O-CZ 3.3Å; W68-R88 PolarHBondContact O-NH2 3.03Å; W68-I91 HydrophobicContact CH2-CB 4.08Å; W68-I91 HydrophobicContact CH2-CG2 4.13Å; W68-I91 HydrophobicContact CZ3-CB 4.14Å; W68-I91 HydrophobicContact CZ3-CG1 4.5Å; W68-I91 HydrophobicContact CZ3-CG2 4.11Å; W68-R92 HydrophobicContact CH2-CG 4.38Å; W68-R92 HydrophobicContact CZ2-CG 4.23Å; W68-I117 HydrophobicContact CD2-CG1 3.97Å; W68-I117 HydrophobicContact CE3-CG1 4.16Å; W68-I117 HydrophobicContact CH2-CD1 3.95Å; W68-I117 HydrophobicContact CH2-CG1 3.9Å; W68-I117 HydrophobicContact CH2-CG2 4.31Å; W68-I117 HydrophobicContact CZ2-CB 4.19Å; W68-I117 HydrophobicContact CZ2-CD1 4.22Å; W68-I117 HydrophobicContact CZ2-CG1 3.73Å; W68-I117 HydrophobicContact CZ2-CG2 3.58Å; W68-I117 HydrophobicContact CZ3-CD1 4.2Å; W68-I117 HydrophobicContact CZ3-CG1 4.13Å; W68-D121 WeakPolarHBondContact CZ2-OD2 3.39Å; W68-D121 PolarHBondContact NE1-OD2 3.17Å |
| 69 | P | 87.4 | Confident | 78.3 | Confident | 30 Ų | 30 | 71.6 Ų | 71.6 | 20% | 0.195 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -63.7 | 138.1 | 177.8 | -14.8 | 27.1 | 0 | 0 | 0 | 111.2 | R71 | P69-R71 PolarHBondContact O-N 2.89Š|
| 70 | D | 80.4 | Confident | 77.5 | Confident | 83 Ų | 83 | 72 Ų | 72 | 44% | 0.444 | 41% | 0.409 | S | S | . | . | trans | -72.8 | 111.4 | 167 | -63.7 | -27.2 | 0 | 0 | 0 | 107.3 | R88 R125 | D70-R88 IonicContact OD1-CZ 3.19Å; D70-R88 VanDerWaalsContact OD1-CZ 3.28Å; D70-R88 IonicContact OD1-NH1 2.76Å; D70-R88 PolarHBondContact OD1-NH1 3.25Å; D70-R88 IonicContact OD1-NH2 3.72Å; D70-R88 PolarHBondContact OD1-NH2 3.03Å; D70-R88 IonicContact OD2-NH1 3.5Å; D70-R125 IonicContact OD1-NH1 3.28Å; D70-R125 IonicContact OD2-CZ 2.62Å; D70-R125 IonicContact OD2-NH1 2.72Å; D70-R125 PolarHBondContact OD2-NH1 3.17Å; D70-R125 IonicContact OD2-NH2 2.76Å; D70-R125 PolarHBondContact OD2-NH2 3.28Å | ||
| 71 | R | 72.2 | Confident | 76.9 | Confident | 133 Ų | 133 | 74.4 Ų | 74.4 | 50% | 0.502 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -86.3 | 130.5 | 177.2 | -64.9 | -177.4 | -172.9 | -155.8 | -1.3 | 108.9 | Q66 P69 T73 P80 | Q66-R71 PolarHBondContact O-NH2 3.4Å; P69-R71 PolarHBondContact O-N 2.89Å; R71-T73 PolarHBondContact O-N 3.49Å; R71-P80 HydrophobicContact CB-CB 4.39Å; R71-P80 HydrophobicContact CB-CG 3.56Å; R71-P80 HydrophobicContact CG-CG 4.45Å |
| 72 | E | 60.6 | Low | 76.5 | Confident | 198 Ų | 198 | 74.3 Ų | 74.3 | 93% | 0.925 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 128.3 | 174.5 | -70.7 | -173.8 | 164.4 | 0 | 0 | 110 | ||
| 73 | T | 56.6 | Low | 76.4 | Confident | 61 Ų | 61 | 70.7 Ų | 70.7 | 37% | 0.374 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -85.1 | 116.3 | 175.2 | -38.1 | 0 | 0 | 0 | 0 | 108.5 | R71 D77 S79 | R71-T73 PolarHBondContact O-N 3.49Å; T73-D77 HydrophobicContact CG2-CB 4.27Å; T73-D77 WeakPolarHBondContact CG2-O 3.42Å; T73-S79 PolarHBondContact OG1-OG 3.4Å |
| 74 | A | 57.3 | Low | 76.3 | Confident | 55 Ų | 55 | 72.2 Ų | 72.2 | 46% | 0.455 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 144.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110 | G76 D77 | A74-G76 PolarHBondContact O-N 3.18Å; A74-D77 PolarHBondContact O-N 2.99Å |
| 75 | P | 49.8 | Very low | 76.1 | Confident | 143 Ų | 143 | 76.8 Ų | 76.8 | 93% | 0.929 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 106 | -178 | -16.4 | 27.5 | 0 | 0 | 0 | 111.2 | ||
| 76 | G | 60.6 | Low | 76.1 | Confident | 82 Ų | 82 | 79.9 Ų | 79.9 | 85% | 0.845 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 122.7 | -18.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | A74 | A74-G76 PolarHBondContact O-N 3.18Š|
| 77 | D | 60.6 | Low | 76.2 | Confident | 121 Ų | 121 | 75.7 Ų | 75.7 | 65% | 0.647 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -85 | 153 | 179.5 | -91.2 | -30.6 | 0 | 0 | 0 | 113.4 | T73 A74 S79 | T73-D77 HydrophobicContact CG2-CB 4.27Å; T73-D77 WeakPolarHBondContact CG2-O 3.42Å; A74-D77 PolarHBondContact O-N 2.99Å; D77-S79 PolarHBondContact O-N 3.39Å |
| 78 | I | 62.9 | Low | 76.3 | Confident | 160 Ų | 160 | 74.1 Ų | 74.1 | 82% | 0.821 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 122.9 | 171.9 | -57.9 | 171.3 | 0 | 0 | 0 | 107 | P80 | I78-P80 VanDerWaalsContact O-N 3.1Š|
| 79 | S | 66 | Low | 76.3 | Confident | 85 Ų | 85 | 79.1 Ų | 79.1 | 59% | 0.594 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -48.8 | 122.2 | 177.5 | -64 | 0 | 0 | 0 | 0 | 110.5 | T73 D77 | T73-S79 PolarHBondContact OG1-OG 3.4Å; D77-S79 PolarHBondContact O-N 3.39Å |
| 80 | P | 77.5 | Confident | 76.6 | Confident | 44 Ų | 44 | 79.4 Ų | 79.4 | 29% | 0.286 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 146.5 | -179 | 22.4 | -32.2 | 0 | 0 | 0 | 109.8 | R71 I78 T82 | R71-P80 HydrophobicContact CB-CB 4.39Å; R71-P80 HydrophobicContact CB-CG 3.56Å; R71-P80 HydrophobicContact CG-CG 4.45Å; I78-P80 VanDerWaalsContact O-N 3.1Å; P80-T82 PolarHBondContact O-N 3.34Å |
| 81 | Y | 82.8 | Confident | 77.4 | Confident | 50 Ų | 50 | 75.5 Ų | 75.5 | 20% | 0.196 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 127.7 | 177.2 | 173.4 | -96.9 | 0 | 0 | 0 | 109.5 | H30 K31 Y67 | H30-Y81 AromaticContact CD2-CD1 3.94Å; H30-Y81 AromaticContact CD2-CE1 3.7Å; H30-Y81 PolarHBondContact O-OH 2.63Å; K31-Y81 HydrophobicContact CB-CE2 4.26Å; K31-Y81 HydrophobicContact CG-CD2 4.1Å; K31-Y81 HydrophobicContact CG-CE2 4.22Å; Y67-Y81 AromaticContact CD1-CD1 3.69Å; Y67-Y81 HydrophobicContact CD1-CD1 3.69Å; Y67-Y81 HydrophobicContact CD1-CE1 4.46Å; Y67-Y81 VanDerWaalsContact CD1-O 3.29Å; Y67-Y81 WeakPolarHBondContact CD1-O 3.45Å; Y67-Y81 HydrophobicContact CD2-CD1 4.48Å; Y67-Y81 HydrophobicContact CE1-CD1 4.13Å; Y67-Y81 AromaticContact CG-CD1 3.85Å; Y67-Y81 HydrophobicContact CG-CD1 3.85Å; Y67-Y81 HydrophobicContact CG-CE1 4.17Å |
| 82 | T | 88.4 | Confident | 78.5 | Confident | 49 Ų | 49 | 69.5 Ų | 69.5 | 30% | 0.301 | 40% | 0.401 | S | S | . | . | trans | -123.6 | 147.3 | 171.8 | 55.9 | 0 | 0 | 0 | 0 | 108.7 | P80 | P80-T82 PolarHBondContact O-N 3.34Š| ||
| 83 | I | 90.2 | Very high | 80.1 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.005 | 38% | 0.375 | C | S | . | . | trans | -59 | 127 | 176.8 | -62.9 | 169.4 | 0 | 0 | 0 | 108.9 | V36 I64 Y67 W68 D87 R88 | V36-I83 HydrophobicContact CB-CG2 4.41Å; V36-I83 HydrophobicContact CG2-CD1 4.22Å; V36-I83 HydrophobicContact CG2-CG1 4.16Å; V36-I83 HydrophobicContact CG2-CG2 4Å; I64-I83 HydrophobicContact CG1-CD1 4.38Å; Y67-I83 PolarHBondContact O-N 2.99Å; W68-I83 HydrophobicContact CE3-CD1 3.91Å; I83-D87 HydrophobicContact CG2-CB 3.6Å; I83-R88 HydrophobicContact CB-CG 4.12Å; I83-R88 HydrophobicContact CG2-CG 3.85Å; I83-R88 PolarHBondContact O-NE 3Å; I83-R88 VanDerWaalsContact O-NE 3.11Å | ||
| 84 | P | 90 | Very high | 82 | Confident | 37 Ų | 37 | 64.8 Ų | 64.8 | 24% | 0.24 | 38% | 0.377 | C | S | . | . | trans | -55.5 | 144 | 179.4 | -26 | 34.3 | 0 | 0 | 0 | 112.3 | L33 E86 D87 R88 | L33-P84 HydrophobicContact CD1-CB 4.15Å; L33-P84 HydrophobicContact CD1-CG 4.23Å; P84-E86 PolarHBondContact O-N 2.9Å; P84-E86 VanDerWaalsContact O-N 3.16Å; P84-D87 WeakPolarHBondContact O-CA 3.48Å; P84-D87 WeakPolarHBondContact O-CB 3.39Å; P84-D87 PolarHBondContact O-N 3.43Å; P84-R88 PolarHBondContact O-N 3.27Å | ||
| 85 | E | 90.4 | Very high | 83.9 | Confident | 96 Ų | 96 | 62.2 Ų | 62.2 | 45% | 0.449 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61 | -29 | -177.1 | -172.2 | 56.9 | -150 | 0 | 0 | 113.1 | R88 H89 R92 | E85-R88 PolarHBondContact O-N 3.22Å; E85-R88 WeakPolarHBondContact OE2-CD 3.23Å; E85-R88 IonicContact OE2-NH1 2.9Å; E85-H89 WeakPolarHBondContact O-CB 3.45Å; E85-H89 PolarHBondContact O-N 3.37Å; E85-R92 IonicContact OE1-CZ 2.75Å; E85-R92 IonicContact OE1-NH1 2.93Å; E85-R92 PolarHBondContact OE1-NH1 3.24Å; E85-R92 IonicContact OE1-NH2 3.9Å; E85-R92 PolarHBondContact OE1-NH2 3.43Å; E85-R92 IonicContact OE2-NH2 3.44Å |
| 86 | E | 90 | Very high | 86.1 | Confident | 118 Ų | 118 | 55.4 Ų | 55.4 | 55% | 0.551 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -62 | -44.2 | 172.3 | -174.7 | 175 | -171.9 | 0 | 0 | 111.8 | P84 C90 | P84-E86 PolarHBondContact O-N 2.9Å; P84-E86 VanDerWaalsContact O-N 3.16Å; E86-C90 WeakPolarHBondContact O-CB 3.39Å; E86-C90 PolarHBondContact O-N 3.44Å |
| 87 | D | 92 | Very high | 87.8 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67 | -43.5 | 174 | -89.9 | -54.8 | 0 | 0 | 0 | 110.9 | N34 V36 S37 I83 P84 H89 C90 I91 | N34-D87 WeakPolarHBondContact CA-OD1 3.44Å; N34-D87 WeakPolarHBondContact CA-OD2 3.45Å; N34-D87 PolarHBondContact N-OD2 2.86Å; V36-D87 HydrophobicContact CB-CB 4.33Å; S37-D87 VanDerWaalsContact CB-OD1 3.27Å; S37-D87 WeakPolarHBondContact CB-OD1 3.36Å; S37-D87 PolarHBondContact N-OD1 3.44Å; S37-D87 VanDerWaalsContact N-OD1 3.07Å; S37-D87 PolarHBondContact OG-OD1 3.24Å; I83-D87 HydrophobicContact CG2-CB 3.6Å; P84-D87 WeakPolarHBondContact O-CA 3.48Å; P84-D87 WeakPolarHBondContact O-CB 3.39Å; P84-D87 PolarHBondContact O-N 3.43Å; D87-H89 VanDerWaalsContact C-N 3.34Å; D87-H89 PolarHBondContact O-N 3.31Å; D87-C90 WeakPolarHBondContact O-CB 3.39Å; D87-C90 PolarHBondContact O-N 2.99Å; D87-I91 WeakPolarHBondContact O-CG1 3.41Å; D87-I91 PolarHBondContact O-N 3.1Å |
| 88 | R | 93.8 | Very high | 89.5 | Confident | 9 Ų | 9 | 47.9 Ų | 47.9 | 3% | 0.034 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.6 | -45.9 | 176.8 | -67.2 | -177.9 | 177.4 | 165.5 | -2.8 | 111.4 | W68 D70 I83 P84 E85 I91 R92 | W68-R88 HydrophobicContact CD2-CG 4.35Å; W68-R88 HydrophobicContact CE3-CG 4.15Å; W68-R88 VanDerWaalsContact CH2-CA 3.49Å; W68-R88 HydrophobicContact CH2-CB 3.62Å; W68-R88 HydrophobicContact CH2-CG 3.8Å; W68-R88 HydrophobicContact CZ2-CB 3.85Å; W68-R88 HydrophobicContact CZ2-CG 3.97Å; W68-R88 HydrophobicContact CZ3-CB 4.15Å; W68-R88 HydrophobicContact CZ3-CG 3.88Å; W68-R88 VanDerWaalsContact O-CZ 3.3Å; W68-R88 PolarHBondContact O-NH2 3.03Å; D70-R88 IonicContact OD1-CZ 3.19Å; D70-R88 VanDerWaalsContact OD1-CZ 3.28Å; D70-R88 IonicContact OD1-NH1 2.76Å; D70-R88 PolarHBondContact OD1-NH1 3.25Å; D70-R88 IonicContact OD1-NH2 3.72Å; D70-R88 PolarHBondContact OD1-NH2 3.03Å; D70-R88 IonicContact OD2-NH1 3.5Å; I83-R88 HydrophobicContact CB-CG 4.12Å; I83-R88 HydrophobicContact CG2-CG 3.85Å; I83-R88 PolarHBondContact O-NE 3Å; I83-R88 VanDerWaalsContact O-NE 3.11Å; P84-R88 PolarHBondContact O-N 3.27Å; E85-R88 PolarHBondContact O-N 3.22Å; E85-R88 WeakPolarHBondContact OE2-CD 3.23Å; E85-R88 IonicContact OE2-NH1 2.9Å; R88-I91 PolarHBondContact O-N 3.26Å; R88-R92 WeakPolarHBondContact O-CG 3.09Å; R88-R92 PolarHBondContact O-N 3.06Å |
| 89 | H | 93.5 | Very high | 91.1 | Very high | 106 Ų | 106 | 40.3 Ų | 40.3 | 49% | 0.491 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.1 | -45.9 | 176.6 | -177.9 | 64.5 | 0 | 0 | 0 | 111.8 | E85 D87 I91 R92 E93 | E85-H89 WeakPolarHBondContact O-CB 3.45Å; E85-H89 PolarHBondContact O-N 3.37Å; D87-H89 VanDerWaalsContact C-N 3.34Å; D87-H89 PolarHBondContact O-N 3.31Å; H89-I91 VanDerWaalsContact C-N 3.33Å; H89-I91 PolarHBondContact O-N 3.01Å; H89-R92 PolarHBondContact O-N 2.88Å; H89-E93 IonicContact CE1-OE1 3.07Å; H89-E93 WeakPolarHBondContact O-CG 3.39Å; H89-E93 PolarHBondContact O-N 3.35Å |
| 90 | C | 93.9 | Very high | 92.5 | Very high | 37 Ų | 37 | 36.9 Ų | 36.9 | 25% | 0.25 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.2 | -43.8 | 175.9 | -177.7 | 0 | 0 | 0 | 0 | 112.3 | S37 E86 D87 E93 N94 | S37-C90 VanDerWaalsContact OG-CB 3.26Å; S37-C90 WeakPolarHBondContact OG-CB 3.23Å; S37-C90 PolarHBondContact OG-SG 3.06Å; E86-C90 WeakPolarHBondContact O-CB 3.39Å; E86-C90 PolarHBondContact O-N 3.44Å; D87-C90 WeakPolarHBondContact O-CB 3.39Å; D87-C90 PolarHBondContact O-N 2.99Å; C90-E93 PolarHBondContact O-N 3.33Å; C90-N94 PolarHBondContact O-N 3.27Å; C90-N94 PolarHBondContact O-ND2 2.87Å |
| 91 | I | 96.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.5 | -47.3 | 177 | -64.2 | -58.9 | 0 | 0 | 0 | 111 | V36 L40 I64 W68 D87 R88 H89 E93 N94 I95 I117 | V36-I91 HydrophobicContact CG1-CD1 3.94Å; V36-I91 HydrophobicContact CG1-CG1 3.82Å; L40-I91 HydrophobicContact CB-CD1 3.78Å; L40-I91 HydrophobicContact CD2-CD1 3.63Å; L40-I91 HydrophobicContact CG-CD1 4.29Å; I64-I91 HydrophobicContact CD1-CG2 4.22Å; W68-I91 HydrophobicContact CH2-CB 4.08Å; W68-I91 HydrophobicContact CH2-CG2 4.13Å; W68-I91 HydrophobicContact CZ3-CB 4.14Å; W68-I91 HydrophobicContact CZ3-CG1 4.5Å; W68-I91 HydrophobicContact CZ3-CG2 4.11Å; D87-I91 WeakPolarHBondContact O-CG1 3.41Å; D87-I91 PolarHBondContact O-N 3.1Å; R88-I91 PolarHBondContact O-N 3.26Å; H89-I91 VanDerWaalsContact C-N 3.33Å; H89-I91 PolarHBondContact O-N 3.01Å; I91-E93 PolarHBondContact O-N 3.02Å; I91-N94 PolarHBondContact O-N 3.39Å; I91-N94 VanDerWaalsContact O-N 3.09Å; I91-I95 HydrophobicContact CG2-CB 4.26Å; I91-I95 HydrophobicContact CG2-CD1 4.02Å; I91-I95 VanDerWaalsContact O-CB 3.25Å; I91-I95 WeakPolarHBondContact O-CB 3.37Å; I91-I95 WeakPolarHBondContact O-CG2 3.46Å; I91-I95 PolarHBondContact O-N 3.36Å; I91-I117 HydrophobicContact CG2-CD1 3.66Å |
| 92 | R | 95.2 | Very high | 93.8 | Very high | 8 Ų | 8 | 38.5 Ų | 38.5 | 3% | 0.03 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56 | -39.6 | 175.9 | -72.8 | -178.4 | -155.4 | 118.5 | -2.4 | 112.3 | W68 E85 R88 H89 N94 I117 D121 W126 | W68-R92 HydrophobicContact CH2-CG 4.38Å; W68-R92 HydrophobicContact CZ2-CG 4.23Å; E85-R92 IonicContact OE1-CZ 2.75Å; E85-R92 IonicContact OE1-NH1 2.93Å; E85-R92 PolarHBondContact OE1-NH1 3.24Å; E85-R92 IonicContact OE1-NH2 3.9Å; E85-R92 PolarHBondContact OE1-NH2 3.43Å; E85-R92 IonicContact OE2-NH2 3.44Å; R88-R92 WeakPolarHBondContact O-CG 3.09Å; R88-R92 PolarHBondContact O-N 3.06Å; H89-R92 PolarHBondContact O-N 2.88Å; R92-N94 VanDerWaalsContact C-N 3.31Å; R92-N94 PolarHBondContact O-N 2.94Å; R92-I117 HydrophobicContact CG-CG2 4.16Å; R92-D121 IonicContact CZ-OD2 2.85Å; R92-D121 IonicContact NE-OD2 3.08Å; R92-D121 PolarHBondContact NE-OD2 3.28Å; R92-D121 IonicContact NH2-OD1 2.9Å; R92-D121 IonicContact NH2-OD2 3.93Å; R92-D121 PolarHBondContact NH2-OD2 3Å; R92-W126 HydrophobicContact CB-CD2 4.25Å; R92-W126 HydrophobicContact CB-CZ2 3.95Å; R92-W126 HydrophobicContact CG-CD2 3.86Å; R92-W126 HydrophobicContact CG-CE3 4.33Å; R92-W126 HydrophobicContact CG-CG 4.1Å; R92-W126 HydrophobicContact CG-CZ2 4.23Å; R92-W126 VanDerWaalsContact O-CZ2 3.29Å; R92-W126 WeakPolarHBondContact O-CZ2 3.23Å |
| 93 | E | 94.4 | Very high | 94.1 | Very high | 82 Ų | 82 | 38.3 Ų | 38.3 | 38% | 0.383 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -70.6 | -20.6 | 179.3 | -76.9 | -58.4 | 132 | 0 | 0 | 114.3 | H89 C90 I91 K132 | H89-E93 IonicContact CE1-OE1 3.07Å; H89-E93 WeakPolarHBondContact O-CG 3.39Å; H89-E93 PolarHBondContact O-N 3.35Å; C90-E93 PolarHBondContact O-N 3.33Å; I91-E93 PolarHBondContact O-N 3.02Å; E93-K132 PolarHBondContact O-NZ 2.73Å |
| 94 | N | 96.1 | Very high | 94.1 | Very high | 78 Ų | 78 | 45 Ų | 45 | 42% | 0.417 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -124.5 | -17 | -171 | -66.2 | -80 | 0 | 0 | 0 | 115 | L40 C90 I91 R92 V96 E97 A98 | L40-N94 HydrophobicContact CD2-CB 3.84Å; C90-N94 PolarHBondContact O-N 3.27Å; C90-N94 PolarHBondContact O-ND2 2.87Å; I91-N94 PolarHBondContact O-N 3.39Å; I91-N94 VanDerWaalsContact O-N 3.09Å; R92-N94 VanDerWaalsContact C-N 3.31Å; R92-N94 PolarHBondContact O-N 2.94Å; N94-V96 VanDerWaalsContact C-N 3.31Å; N94-V96 PolarHBondContact O-N 2.89Å; N94-E97 PolarHBondContact O-N 3.17Å; N94-A98 WeakPolarHBondContact O-CB 3.41Å; N94-A98 PolarHBondContact O-N 3.39Å |
| 95 | I | 97 | Very high | 94.2 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63 | -35.5 | -172.5 | -165.9 | 92.9 | 0 | 0 | 0 | 112.4 | I91 A98 I99 L110 C113 I114 W126 | I91-I95 HydrophobicContact CG2-CB 4.26Å; I91-I95 HydrophobicContact CG2-CD1 4.02Å; I91-I95 VanDerWaalsContact O-CB 3.25Å; I91-I95 WeakPolarHBondContact O-CB 3.37Å; I91-I95 WeakPolarHBondContact O-CG2 3.46Å; I91-I95 PolarHBondContact O-N 3.36Å; I95-A98 WeakPolarHBondContact O-CB 3.43Å; I95-A98 PolarHBondContact O-N 3.26Å; I95-I99 HydrophobicContact CG1-CD1 4.26Å; I95-I99 VanDerWaalsContact O-CG1 3.3Å; I95-I99 WeakPolarHBondContact O-CG1 3.32Å; I95-I99 PolarHBondContact O-N 3.42Å; I95-L110 HydrophobicContact CD1-CD2 3.94Å; I95-C113 HydrophobicContact CD1-CB 4.02Å; I95-I114 HydrophobicContact CG1-CB 4.34Å; I95-I114 HydrophobicContact CG2-CD1 4.06Å; I95-I114 HydrophobicContact CG2-CG1 4.2Å; I95-W126 HydrophobicContact CG2-CH2 3.74Å; I95-W126 HydrophobicContact CG2-CZ2 4.23Å |
| 96 | V | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.5 | -48.4 | -179.8 | 174.9 | 0 | 0 | 0 | 0 | 110.5 | N94 A98 I99 I100 I114 I129 K132 Y136 I148 | N94-V96 VanDerWaalsContact C-N 3.31Å; N94-V96 PolarHBondContact O-N 2.89Å; V96-A98 VanDerWaalsContact C-N 3.29Å; V96-A98 PolarHBondContact O-N 2.87Å; V96-I99 PolarHBondContact O-N 3.3Å; V96-I100 HydrophobicContact CG1-CD1 4.15Å; V96-I100 WeakPolarHBondContact O-CG1 3.4Å; V96-I100 PolarHBondContact O-N 2.91Å; V96-I114 HydrophobicContact CG2-CD1 4.05Å; V96-I129 HydrophobicContact CG2-CD1 3.52Å; V96-K132 HydrophobicContact CB-CD 4.26Å; V96-K132 HydrophobicContact CG2-CD 4.14Å; V96-Y136 HydrophobicContact CG1-CD2 4.29Å; V96-Y136 HydrophobicContact CG1-CE2 4.45Å; V96-I148 HydrophobicContact CG1-CD1 3.48Å; V96-I148 VanDerWaalsContact CG1-CD1 3.48Å |
| 97 | E | 95.6 | Very high | 94.8 | Very high | 41 Ų | 41 | 40.4 Ų | 40.4 | 19% | 0.192 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.3 | -35.2 | 176.7 | -65.5 | 77.4 | -173.7 | 0 | 0 | 110.9 | N94 I100 H101 K132 Y136 | N94-E97 PolarHBondContact O-N 3.17Å; E97-I100 PolarHBondContact O-N 3.4Å; E97-H101 PolarHBondContact O-N 3.26Å; E97-H101 VanDerWaalsContact O-N 3.11Å; E97-H101 PolarHBondContact O-ND1 3.04Å; E97-K132 VanDerWaalsContact CD-NZ 3.3Å; E97-K132 IonicContact OE1-NZ 2.74Å; E97-K132 PolarHBondContact OE1-NZ 2.87Å; E97-K132 IonicContact OE2-NZ 3.2Å; E97-K132 PolarHBondContact OE2-NZ 2.76Å; E97-Y136 HydrophobicContact CG-CE2 4.39Å; E97-Y136 WeakPolarHBondContact CG-OH 3.28Å; E97-Y136 PolarHBondContact OE1-OH 3.19Å |
| 98 | A | 96.7 | Very high | 94.8 | Very high | 5 Ų | 5 | 44.1 Ų | 44.1 | 4% | 0.041 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.7 | -42.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L40 M44 N94 I95 V96 I100 H101 S102 L110 | L40-A98 HydrophobicContact CD1-CB 3.94Å; M44-A98 HydrophobicContact CE-CB 4.26Å; M44-A98 HydrophobicContact CG-CB 3.95Å; M44-A98 HydrophobicContact SD-CB 3.8Å; N94-A98 WeakPolarHBondContact O-CB 3.41Å; N94-A98 PolarHBondContact O-N 3.39Å; I95-A98 WeakPolarHBondContact O-CB 3.43Å; I95-A98 PolarHBondContact O-N 3.26Å; V96-A98 VanDerWaalsContact C-N 3.29Å; V96-A98 PolarHBondContact O-N 2.87Å; A98-I100 PolarHBondContact O-N 2.77Å; A98-H101 PolarHBondContact O-N 3.4Å; A98-S102 WeakPolarHBondContact O-CB 3.28Å; A98-S102 PolarHBondContact O-N 3.37Å; A98-S102 PolarHBondContact O-OG 3.15Å; A98-L110 HydrophobicContact CB-CD1 3.78Å |
| 99 | I | 97 | Very high | 94.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64 | -40.3 | 175.7 | -70 | 165.5 | 0 | 0 | 0 | 111.2 | I95 V96 S102 R107 L110 I114 G147 C151 | I95-I99 HydrophobicContact CG1-CD1 4.26Å; I95-I99 VanDerWaalsContact O-CG1 3.3Å; I95-I99 WeakPolarHBondContact O-CG1 3.32Å; I95-I99 PolarHBondContact O-N 3.42Å; V96-I99 PolarHBondContact O-N 3.3Å; I99-S102 PolarHBondContact O-OG 3.29Å; I99-R107 HydrophobicContact CG2-CG 3.92Å; I99-R107 WeakPolarHBondContact O-CD 3.46Å; I99-R107 WeakPolarHBondContact O-CG 3.36Å; I99-R107 PolarHBondContact O-NE 2.97Å; I99-L110 HydrophobicContact CD1-CB 4.35Å; I99-L110 HydrophobicContact CG1-CB 3.59Å; I99-L110 HydrophobicContact CG1-CD1 4.35Å; I99-I114 HydrophobicContact CD1-CB 3.95Å; I99-I114 HydrophobicContact CD1-CD1 3.99Å; I99-I114 HydrophobicContact CD1-CG2 3.73Å; I99-G147 WeakPolarHBondContact CG2-O 3.42Å; I99-C151 VanDerWaalsContact CD1-SG 3.59Å |
| 100 | I | 95.2 | Very high | 95.1 | Very high | 14 Ų | 14 | 40.9 Ų | 40.9 | 7% | 0.072 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.8 | -46.2 | 178.9 | -73.5 | 167.4 | 0 | 0 | 0 | 111.9 | V96 E97 A98 Y136 C144 | V96-I100 HydrophobicContact CG1-CD1 4.15Å; V96-I100 WeakPolarHBondContact O-CG1 3.4Å; V96-I100 PolarHBondContact O-N 2.91Å; E97-I100 PolarHBondContact O-N 3.4Å; A98-I100 PolarHBondContact O-N 2.77Å; I100-Y136 HydrophobicContact CD1-CD1 3.81Å; I100-Y136 HydrophobicContact CD1-CD2 3.93Å; I100-Y136 HydrophobicContact CD1-CE1 4.03Å; I100-Y136 HydrophobicContact CD1-CE2 4.15Å; I100-Y136 HydrophobicContact CD1-CG 3.76Å; I100-C144 HydrophobicContact CD1-CB 4.25Å; I100-C144 HydrophobicContact CG1-CB 4.42Å; I100-C144 HydrophobicContact CG2-CB 3.9Å |
| 101 | H | 93.9 | Very high | 95.3 | Very high | 125 Ų | 125 | 39.7 Ų | 39.7 | 58% | 0.579 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -95.6 | -10.8 | -170.6 | -57.5 | 99.4 | 0 | 0 | 0 | 114.2 | M44 E97 A98 | M44-H101 HydrophobicContact CE-CB 4.19Å; E97-H101 PolarHBondContact O-N 3.26Å; E97-H101 VanDerWaalsContact O-N 3.11Å; E97-H101 PolarHBondContact O-ND1 3.04Å; A98-H101 PolarHBondContact O-N 3.4Å |
| 102 | S | 94.5 | Very high | 95.2 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.014 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -74.9 | 149.5 | -177.7 | 50.1 | 0 | 0 | 0 | 0 | 112.9 | A98 I99 R107 | A98-S102 WeakPolarHBondContact O-CB 3.28Å; A98-S102 PolarHBondContact O-N 3.37Å; A98-S102 PolarHBondContact O-OG 3.15Å; I99-S102 PolarHBondContact O-OG 3.29Å; S102-R107 VanDerWaalsContact O-CZ 3.27Å; S102-R107 PolarHBondContact O-NE 3.28Å; S102-R107 VanDerWaalsContact O-NE 3.13Å; S102-R107 PolarHBondContact O-NH2 2.97Å; S102-R107 WeakPolarHBondContact OG-CA 3.21Å; S102-R107 WeakPolarHBondContact OG-CB 3.44Å |
| 103 | P | 93.3 | Very high | 95.3 | Very high | 46 Ų | 46 | 41.7 Ų | 41.7 | 30% | 0.299 | 21% | 0.212 | S | C | . | . | trans | -67.8 | 159.7 | 168.2 | 30.5 | -35.7 | 0 | 0 | 0 | 111.2 | L50 L105 I106 R107 | L50-P103 HydrophobicContact CD1-CG 4.04Å; P103-L105 PolarHBondContact O-N 3.46Å; P103-I106 HydrophobicContact CG-CB 4.17Å; P103-I106 HydrophobicContact CG-CD1 3.77Å; P103-I106 HydrophobicContact CG-CG1 4.02Å; P103-I106 PolarHBondContact O-N 3.27Å; P103-R107 WeakPolarHBondContact O-CB 3.31Å; P103-R107 PolarHBondContact O-N 2.8Å | ||
| 104 | E | 91.2 | Very high | 95.4 | Very high | 141 Ų | 141 | 37.8 Ų | 37.8 | 66% | 0.659 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -49.7 | -49.8 | -172.3 | -178.4 | 168.5 | -164.6 | 0 | 0 | 114.1 | I106 R107 V108 | E104-I106 PolarHBondContact O-N 3.19Å; E104-R107 WeakPolarHBondContact O-CB 3.38Å; E104-R107 PolarHBondContact O-N 2.93Å; E104-V108 HydrophobicContact CG-CG2 4.47Å; E104-V108 WeakPolarHBondContact O-CG2 3.46Å; E104-V108 PolarHBondContact O-N 3.46Å |
| 105 | L | 91.6 | Very high | 95.4 | Very high | 101 Ų | 101 | 36 Ų | 36 | 53% | 0.529 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62 | -30.1 | -177.9 | -62.2 | 172.9 | 0 | 0 | 0 | 113.3 | L50 P103 | L50-L105 HydrophobicContact CD2-CD1 4.35Å; P103-L105 PolarHBondContact O-N 3.46Å |
| 106 | I | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -83.1 | -40.3 | 173.7 | -64.9 | 178.4 | 0 | 0 | 0 | 110.1 | T43 L50 R53 V57 P103 E104 V108 Q109 L110 | T43-I106 HydrophobicContact CG2-CG2 3.58Å; L50-I106 HydrophobicContact CD1-CD1 3.95Å; L50-I106 HydrophobicContact CD1-CG1 4.23Å; R53-I106 HydrophobicContact CB-CD1 3.63Å; V57-I106 HydrophobicContact CB-CG2 4.28Å; V57-I106 HydrophobicContact CG1-CG1 4.48Å; V57-I106 HydrophobicContact CG1-CG2 4.41Å; V57-I106 HydrophobicContact CG2-CG2 4.09Å; P103-I106 HydrophobicContact CG-CB 4.17Å; P103-I106 HydrophobicContact CG-CD1 3.77Å; P103-I106 HydrophobicContact CG-CG1 4.02Å; P103-I106 PolarHBondContact O-N 3.27Å; E104-I106 PolarHBondContact O-N 3.19Å; I106-V108 VanDerWaalsContact C-N 3.34Å; I106-V108 PolarHBondContact O-N 3.32Å; I106-Q109 PolarHBondContact O-N 3.44Å; I106-Q109 VanDerWaalsContact O-N 3.16Å; I106-L110 HydrophobicContact CG2-CD1 3.87Å; I106-L110 HydrophobicContact CG2-CG 4.13Å; I106-L110 PolarHBondContact O-N 3.12Å |
| 107 | R | 96 | Very high | 95.4 | Very high | 53 Ų | 53 | 37.9 Ų | 37.9 | 20% | 0.2 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.4 | -40.8 | -176.7 | -164.8 | -176.6 | -50.7 | 135 | -0.4 | 112.5 | I99 S102 P103 E104 Q109 L110 T111 L150 | I99-R107 HydrophobicContact CG2-CG 3.92Å; I99-R107 WeakPolarHBondContact O-CD 3.46Å; I99-R107 WeakPolarHBondContact O-CG 3.36Å; I99-R107 PolarHBondContact O-NE 2.97Å; S102-R107 VanDerWaalsContact O-CZ 3.27Å; S102-R107 PolarHBondContact O-NE 3.28Å; S102-R107 VanDerWaalsContact O-NE 3.13Å; S102-R107 PolarHBondContact O-NH2 2.97Å; S102-R107 WeakPolarHBondContact OG-CA 3.21Å; S102-R107 WeakPolarHBondContact OG-CB 3.44Å; P103-R107 WeakPolarHBondContact O-CB 3.31Å; P103-R107 PolarHBondContact O-N 2.8Å; E104-R107 WeakPolarHBondContact O-CB 3.38Å; E104-R107 PolarHBondContact O-N 2.93Å; R107-Q109 VanDerWaalsContact C-N 3.32Å; R107-Q109 PolarHBondContact O-N 3.44Å; R107-L110 PolarHBondContact O-N 3.29Å; R107-T111 WeakPolarHBondContact O-CB 3.5Å; R107-T111 PolarHBondContact O-N 2.99Å; R107-T111 PolarHBondContact O-OG1 2.86Å; R107-L150 VanDerWaalsContact CD-CD1 3.48Å; R107-L150 HydrophobicContact CG-CD1 3.99Å |
| 108 | V | 93.8 | Very high | 95.4 | Very high | 79 Ų | 79 | 35.9 Ų | 35.9 | 48% | 0.479 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -58.3 | -46.5 | 176.2 | 174.8 | 0 | 0 | 0 | 0 | 110.4 | E104 I106 T111 T112 | E104-V108 HydrophobicContact CG-CG2 4.47Å; E104-V108 WeakPolarHBondContact O-CG2 3.46Å; E104-V108 PolarHBondContact O-N 3.46Å; I106-V108 VanDerWaalsContact C-N 3.34Å; I106-V108 PolarHBondContact O-N 3.32Å; V108-T111 WeakPolarHBondContact O-CB 3.42Å; V108-T111 PolarHBondContact O-N 3.31Å; V108-T112 PolarHBondContact O-N 3.26Å; V108-T112 VanDerWaalsContact O-N 3.14Å; V108-T112 PolarHBondContact O-OG1 3.17Å |
| 109 | Q | 96.1 | Very high | 95.3 | Very high | 47 Ų | 47 | 41.2 Ų | 41.2 | 22% | 0.22 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.3 | -42.4 | -179.6 | -54 | -61.9 | -32.5 | 0 | 0 | 111.8 | V57 I106 R107 T111 T112 C113 | V57-Q109 HydrophobicContact CB-CB 4.23Å; V57-Q109 HydrophobicContact CG1-CB 3.65Å; V57-Q109 HydrophobicContact CG1-CG 3.74Å; V57-Q109 HydrophobicContact CG2-CB 3.58Å; I106-Q109 PolarHBondContact O-N 3.44Å; I106-Q109 VanDerWaalsContact O-N 3.16Å; R107-Q109 VanDerWaalsContact C-N 3.32Å; R107-Q109 PolarHBondContact O-N 3.44Å; Q109-T111 VanDerWaalsContact C-N 3.26Å; Q109-T111 PolarHBondContact O-N 2.94Å; Q109-T112 WeakPolarHBondContact O-CB 3.35Å; Q109-T112 PolarHBondContact O-N 3.01Å; Q109-T112 VanDerWaalsContact O-N 3.15Å; Q109-C113 PolarHBondContact O-N 2.92Å; Q109-C113 PolarHBondContact O-SG 3.46Å |
| 110 | L | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64 | -31.4 | 174.1 | -67.9 | 176.6 | 0 | 0 | 0 | 112.8 | L40 M44 V57 L60 I95 A98 I99 I106 R107 T112 C113 I114 | L40-L110 HydrophobicContact CD1-CD2 4.01Å; M44-L110 HydrophobicContact SD-CD1 4.2Å; V57-L110 HydrophobicContact CG2-CD2 3.71Å; V57-L110 HydrophobicContact CG2-CG 3.82Å; L60-L110 HydrophobicContact CD2-CD2 4.09Å; I95-L110 HydrophobicContact CD1-CD2 3.94Å; A98-L110 HydrophobicContact CB-CD1 3.78Å; I99-L110 HydrophobicContact CD1-CB 4.35Å; I99-L110 HydrophobicContact CG1-CB 3.59Å; I99-L110 HydrophobicContact CG1-CD1 4.35Å; I106-L110 HydrophobicContact CG2-CD1 3.87Å; I106-L110 HydrophobicContact CG2-CG 4.13Å; I106-L110 PolarHBondContact O-N 3.12Å; R107-L110 PolarHBondContact O-N 3.29Å; L110-T112 VanDerWaalsContact C-N 3.31Å; L110-C113 WeakPolarHBondContact O-CB 3.35Å; L110-C113 PolarHBondContact O-N 3.13Å; L110-I114 PolarHBondContact O-N 3.01Å |
| 111 | T | 96.6 | Very high | 95.1 | Very high | 11 Ų | 11 | 44.1 Ų | 44.1 | 7% | 0.067 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.4 | -35.1 | 175 | -58.1 | 0 | 0 | 0 | 0 | 110.9 | R107 V108 Q109 I114 H115 L150 Q154 | R107-T111 WeakPolarHBondContact O-CB 3.5Å; R107-T111 PolarHBondContact O-N 2.99Å; R107-T111 PolarHBondContact O-OG1 2.86Å; V108-T111 WeakPolarHBondContact O-CB 3.42Å; V108-T111 PolarHBondContact O-N 3.31Å; Q109-T111 VanDerWaalsContact C-N 3.26Å; Q109-T111 PolarHBondContact O-N 2.94Å; T111-I114 WeakPolarHBondContact O-CG2 3.17Å; T111-H115 PolarHBondContact O-N 2.92Å; T111-L150 HydrophobicContact CG2-CB 4.3Å; T111-Q154 HydrophobicContact CG2-CG 3.58Å |
| 112 | T | 94.8 | Very high | 95.1 | Very high | 50 Ų | 50 | 39.2 Ų | 39.2 | 31% | 0.307 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -65.4 | -42.9 | 169.4 | -52.9 | 0 | 0 | 0 | 0 | 111.2 | K61 V108 Q109 L110 I114 H115 H116 | K61-T112 HydrophobicContact CD-CG2 4.02Å; K61-T112 HydrophobicContact CG-CG2 4Å; V108-T112 PolarHBondContact O-N 3.26Å; V108-T112 VanDerWaalsContact O-N 3.14Å; V108-T112 PolarHBondContact O-OG1 3.17Å; Q109-T112 WeakPolarHBondContact O-CB 3.35Å; Q109-T112 PolarHBondContact O-N 3.01Å; Q109-T112 VanDerWaalsContact O-N 3.15Å; L110-T112 VanDerWaalsContact C-N 3.31Å; T112-I114 PolarHBondContact O-N 3.34Å; T112-H115 WeakPolarHBondContact O-CB 3.33Å; T112-H115 PolarHBondContact O-N 3.39Å; T112-H116 PolarHBondContact O-CD2 3.16Å; T112-H116 PolarHBondContact O-N 3.47Å |
| 113 | C | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.5 | -51.3 | 176 | -60.2 | 0 | 0 | 0 | 0 | 112.1 | K61 I64 I95 Q109 L110 H115 H116 I117 | K61-C113 VanDerWaalsContact CA-SG 3.5Å; I64-C113 HydrophobicContact CD1-CB 3.67Å; I64-C113 HydrophobicContact CG2-CB 4.44Å; I95-C113 HydrophobicContact CD1-CB 4.02Å; Q109-C113 PolarHBondContact O-N 2.92Å; Q109-C113 PolarHBondContact O-SG 3.46Å; L110-C113 WeakPolarHBondContact O-CB 3.35Å; L110-C113 PolarHBondContact O-N 3.13Å; C113-H115 VanDerWaalsContact C-N 3.26Å; C113-H115 PolarHBondContact O-N 3.43Å; C113-H116 PolarHBondContact O-N 3.15Å; C113-I117 WeakPolarHBondContact O-CG1 3.43Å; C113-I117 PolarHBondContact O-N 2.74Å; C113-I117 VanDerWaalsContact O-N 3.07Å |
| 114 | I | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.7 | -30.1 | -178 | -157.8 | 174.8 | 0 | 0 | 0 | 112.2 | I95 V96 I99 L110 T111 T112 I117 I118 W126 I129 C151 Q154 | I95-I114 HydrophobicContact CG1-CB 4.34Å; I95-I114 HydrophobicContact CG2-CD1 4.06Å; I95-I114 HydrophobicContact CG2-CG1 4.2Å; V96-I114 HydrophobicContact CG2-CD1 4.05Å; I99-I114 HydrophobicContact CD1-CB 3.95Å; I99-I114 HydrophobicContact CD1-CD1 3.99Å; I99-I114 HydrophobicContact CD1-CG2 3.73Å; L110-I114 PolarHBondContact O-N 3.01Å; T111-I114 WeakPolarHBondContact O-CG2 3.17Å; T112-I114 PolarHBondContact O-N 3.34Å; I114-I117 PolarHBondContact O-N 3.22Å; I114-I118 HydrophobicContact CG1-CD1 4.07Å; I114-I118 HydrophobicContact CG1-CG1 4.31Å; I114-I118 WeakPolarHBondContact O-CB 3.34Å; I114-I118 VanDerWaalsContact O-CG1 3.25Å; I114-I118 WeakPolarHBondContact O-CG1 3.43Å; I114-I118 PolarHBondContact O-N 3.43Å; I114-W126 HydrophobicContact CD1-CH2 4Å; I114-W126 HydrophobicContact CD1-CZ3 4.43Å; I114-W126 HydrophobicContact CG1-CH2 3.93Å; I114-W126 HydrophobicContact CG1-CZ3 3.97Å; I114-I129 HydrophobicContact CD1-CD1 3.96Å; I114-C151 HydrophobicContact CD1-CB 4.02Å; I114-Q154 HydrophobicContact CG2-CB 4.18Å; I114-Q154 HydrophobicContact CG2-CG 3.87Å |
| 115 | H | 96.4 | Very high | 94.6 | Very high | 41 Ų | 41 | 43.6 Ų | 43.6 | 19% | 0.19 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.2 | -50.3 | 173 | -179.7 | 74.5 | 0 | 0 | 0 | 111.7 | T111 T112 C113 I117 I118 K119 Q154 | T111-H115 PolarHBondContact O-N 2.92Å; T112-H115 WeakPolarHBondContact O-CB 3.33Å; T112-H115 PolarHBondContact O-N 3.39Å; C113-H115 VanDerWaalsContact C-N 3.26Å; C113-H115 PolarHBondContact O-N 3.43Å; H115-I117 VanDerWaalsContact C-N 3.34Å; H115-I117 PolarHBondContact O-N 3.13Å; H115-I118 PolarHBondContact O-N 3.07Å; H115-K119 WeakPolarHBondContact O-CB 3.09Å; H115-K119 PolarHBondContact O-N 2.74Å; H115-Q154 HydrophobicContact CB-CB 4.15Å; H115-Q154 HydrophobicContact CB-CG 4.05Å; H115-Q154 PolarHBondContact ND1-OE1 3.39Å; H115-Q154 VanDerWaalsContact ND1-OE1 3.14Å |
| 116 | H | 95.7 | Very high | 94.7 | Very high | 39 Ų | 39 | 39.2 Ų | 39.2 | 18% | 0.181 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63 | -38.8 | 176.5 | -76.3 | -78.9 | 0 | 0 | 0 | 112.4 | I64 T112 C113 K119 H120 | I64-H116 HydrophobicContact CG2-CB 4.05Å; T112-H116 PolarHBondContact O-CD2 3.16Å; T112-H116 PolarHBondContact O-N 3.47Å; C113-H116 PolarHBondContact O-N 3.15Å; H116-K119 PolarHBondContact O-N 3.4Å; H116-H120 PolarHBondContact O-CD2 2.56Å; H116-H120 PolarHBondContact O-N 3.44Å |
| 117 | I | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.5 | -48.3 | 176.8 | -61.3 | 167.8 | 0 | 0 | 0 | 110.5 | I64 W68 I91 R92 C113 I114 H115 K119 H120 D121 W126 | I64-I117 HydrophobicContact CD1-CD1 4.41Å; I64-I117 HydrophobicContact CG2-CG1 4.01Å; W68-I117 HydrophobicContact CD2-CG1 3.97Å; W68-I117 HydrophobicContact CE3-CG1 4.16Å; W68-I117 HydrophobicContact CH2-CD1 3.95Å; W68-I117 HydrophobicContact CH2-CG1 3.9Å; W68-I117 HydrophobicContact CH2-CG2 4.31Å; W68-I117 HydrophobicContact CZ2-CB 4.19Å; W68-I117 HydrophobicContact CZ2-CD1 4.22Å; W68-I117 HydrophobicContact CZ2-CG1 3.73Å; W68-I117 HydrophobicContact CZ2-CG2 3.58Å; W68-I117 HydrophobicContact CZ3-CD1 4.2Å; W68-I117 HydrophobicContact CZ3-CG1 4.13Å; I91-I117 HydrophobicContact CG2-CD1 3.66Å; R92-I117 HydrophobicContact CG-CG2 4.16Å; C113-I117 WeakPolarHBondContact O-CG1 3.43Å; C113-I117 PolarHBondContact O-N 2.74Å; C113-I117 VanDerWaalsContact O-N 3.07Å; I114-I117 PolarHBondContact O-N 3.22Å; H115-I117 VanDerWaalsContact C-N 3.34Å; H115-I117 PolarHBondContact O-N 3.13Å; I117-K119 VanDerWaalsContact C-N 3.3Å; I117-K119 PolarHBondContact O-N 3.17Å; I117-H120 PolarHBondContact O-N 2.91Å; I117-D121 VanDerWaalsContact O-CB 3.32Å; I117-D121 WeakPolarHBondContact O-CB 3.46Å; I117-D121 PolarHBondContact O-N 2.72Å; I117-W126 HydrophobicContact CB-CZ3 4.12Å; I117-W126 HydrophobicContact CG2-CD2 4.42Å; I117-W126 HydrophobicContact CG2-CE3 3.48Å; I117-W126 VanDerWaalsContact CG2-CE3 3.48Å; I117-W126 HydrophobicContact CG2-CH2 4.3Å; I117-W126 HydrophobicContact CG2-CZ3 3.4Å; I117-W126 VanDerWaalsContact CG2-CZ3 3.4Å |
| 118 | I | 96 | Very high | 94.3 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.5 | -44 | 177.8 | -73.3 | 168.8 | 0 | 0 | 0 | 110.7 | I114 H115 H120 D121 Y122 W126 Q154 L155 N158 | I114-I118 HydrophobicContact CG1-CD1 4.07Å; I114-I118 HydrophobicContact CG1-CG1 4.31Å; I114-I118 WeakPolarHBondContact O-CB 3.34Å; I114-I118 VanDerWaalsContact O-CG1 3.25Å; I114-I118 WeakPolarHBondContact O-CG1 3.43Å; I114-I118 PolarHBondContact O-N 3.43Å; H115-I118 PolarHBondContact O-N 3.07Å; I118-H120 PolarHBondContact O-N 2.89Å; I118-D121 PolarHBondContact O-N 2.93Å; I118-Y122 PolarHBondContact O-N 2.67Å; I118-W126 HydrophobicContact CG1-CZ3 4.16Å; I118-Q154 HydrophobicContact CD1-CB 4.01Å; I118-L155 HydrophobicContact CD1-CB 4.2Å; I118-L155 HydrophobicContact CG2-CD1 3.88Å; I118-N158 HydrophobicContact CG2-CB 3.93Å |
| 119 | K | 94 | Very high | 94.4 | Very high | 117 Ų | 117 | 38.8 Ų | 38.8 | 51% | 0.509 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -54.1 | -40.5 | -179.6 | -178.6 | 179.2 | 178.8 | 178.5 | 0 | 113 | H115 H116 I117 N158 | H115-K119 WeakPolarHBondContact O-CB 3.09Å; H115-K119 PolarHBondContact O-N 2.74Å; H116-K119 PolarHBondContact O-N 3.4Å; I117-K119 VanDerWaalsContact C-N 3.3Å; I117-K119 PolarHBondContact O-N 3.17Å; K119-N158 WeakPolarHBondContact CA-OD1 3.35Å; K119-N158 WeakPolarHBondContact CB-OD1 3.31Å |
| 120 | H | 92.7 | Very high | 94.3 | Very high | 72 Ų | 72 | 37.9 Ų | 37.9 | 33% | 0.333 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -96.3 | -28 | -176 | -67.9 | -68.6 | 0 | 0 | 0 | 114 | H116 I117 I118 | H116-H120 PolarHBondContact O-CD2 2.56Å; H116-H120 PolarHBondContact O-N 3.44Å; I117-H120 PolarHBondContact O-N 2.91Å; I118-H120 PolarHBondContact O-N 2.89Å |
| 121 | D | 94.7 | Very high | 94.1 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.011 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -110.1 | -18.8 | -169.7 | -68.1 | -19.9 | 0 | 0 | 0 | 115 | W68 R92 I117 I118 S124 R125 W126 | W68-D121 WeakPolarHBondContact CZ2-OD2 3.39Å; W68-D121 PolarHBondContact NE1-OD2 3.17Å; R92-D121 IonicContact CZ-OD2 2.85Å; R92-D121 IonicContact NE-OD2 3.08Å; R92-D121 PolarHBondContact NE-OD2 3.28Å; R92-D121 IonicContact NH2-OD1 2.9Å; R92-D121 IonicContact NH2-OD2 3.93Å; R92-D121 PolarHBondContact NH2-OD2 3Å; I117-D121 VanDerWaalsContact O-CB 3.32Å; I117-D121 WeakPolarHBondContact O-CB 3.46Å; I117-D121 PolarHBondContact O-N 2.72Å; I118-D121 PolarHBondContact O-N 2.93Å; D121-S124 PolarHBondContact O-N 3.03Å; D121-R125 HydrophobicContact CB-CB 3.99Å; D121-R125 CarbonylContact O-C 3.54Å; D121-R125 WeakPolarHBondContact O-CA 3.34Å; D121-R125 PolarHBondContact O-N 3.32Å; D121-W126 HydrophobicContact CB-CB 3.8Å; D121-W126 PolarHBondContact O-N 3.26Å |
| 122 | Y | 93.9 | Very high | 94 | Very high | 23 Ų | 23 | 44.3 Ų | 44.3 | 9% | 0.09 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 129.1 | -179.4 | 179.7 | -91.5 | 0 | 0 | 0 | 111.9 | I118 I129 V130 L155 Y159 P169 | I118-Y122 PolarHBondContact O-N 2.67Å; Y122-I129 HydrophobicContact CD2-CG2 3.71Å; Y122-I129 HydrophobicContact CE2-CG2 4.27Å; Y122-I129 HydrophobicContact CG-CG2 4.42Å; Y122-V130 HydrophobicContact CD2-CG2 4.43Å; Y122-V130 HydrophobicContact CE2-CG2 3.51Å; Y122-L155 HydrophobicContact CD1-CD1 3.43Å; Y122-L155 VanDerWaalsContact CD1-CD1 3.43Å; Y122-L155 HydrophobicContact CD2-CD1 4.43Å; Y122-L155 HydrophobicContact CE1-CD1 3.57Å; Y122-L155 HydrophobicContact CG-CD1 3.9Å; Y122-Y159 AromaticContact CD1-CE2 3.83Å; Y122-Y159 HydrophobicContact CD1-CE2 3.83Å; Y122-Y159 AromaticContact CD1-CZ 3.99Å; Y122-Y159 VanDerWaalsContact CD1-OH 3.31Å; Y122-Y159 WeakPolarHBondContact CD1-OH 3.18Å; Y122-Y159 AromaticContact CE1-CE2 3.97Å; Y122-Y159 HydrophobicContact CE1-CE2 3.97Å; Y122-Y159 PolarHBondContact O-OH 3.39Å; Y122-P169 HydrophobicContact CE1-CB 3.88Å; Y122-P169 PolarHBondContact OH-O 3.36Å; Y122-P169 VanDerWaalsContact OH-O 3.13Å |
| 123 | P | 91.1 | Very high | 94.1 | Very high | 54 Ų | 54 | 42 Ų | 42 | 35% | 0.351 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -94.2 | -2.5 | 9.3 | 38.2 | -37.7 | 0 | 0 | 0 | 114.9 | T127 Y159 P169 | P123-T127 WeakPolarHBondContact O-CG2 3.38Å; P123-Y159 WeakPolarHBondContact CD-OH 3.5Å; P123-P169 HydrophobicContact CB-CB 4.04Å; P123-P169 HydrophobicContact CB-CG 4.48Å; P123-P169 HydrophobicContact CG-CB 3.86Å; P123-P169 HydrophobicContact CG-CG 3.77Å |
| 124 | S | 88.2 | Confident | 93.9 | Very high | 94 Ų | 94 | 42.2 Ų | 42.2 | 66% | 0.657 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -50.3 | -165.3 | 56.3 | 0 | 0 | 0 | 0 | 114.8 | D121 | D121-S124 PolarHBondContact O-N 3.03Š|
| 125 | R | 89 | Confident | 93.8 | Very high | 132 Ų | 132 | 48.9 Ų | 48.9 | 50% | 0.498 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -19.8 | -173.3 | -65.3 | -179.6 | 179.2 | -178 | 1.6 | 113.7 | D70 D121 | D70-R125 IonicContact OD1-NH1 3.28Å; D70-R125 IonicContact OD2-CZ 2.62Å; D70-R125 IonicContact OD2-NH1 2.72Å; D70-R125 PolarHBondContact OD2-NH1 3.17Å; D70-R125 IonicContact OD2-NH2 2.76Å; D70-R125 PolarHBondContact OD2-NH2 3.28Å; D121-R125 HydrophobicContact CB-CB 3.99Å; D121-R125 CarbonylContact O-C 3.54Å; D121-R125 WeakPolarHBondContact O-CA 3.34Å; D121-R125 PolarHBondContact O-N 3.32Å |
| 126 | W | 93.8 | Very high | 93.7 | Very high | 9 Ų | 9 | 49 Ų | 49 | 3% | 0.034 | 25% | 0.25 | C | S | . | . | trans | -138.3 | 66.7 | -173.5 | -167.4 | 35.1 | 0 | 0 | 0 | 114 | R92 I95 I114 I117 I118 D121 A128 I129 | R92-W126 HydrophobicContact CB-CD2 4.25Å; R92-W126 HydrophobicContact CB-CZ2 3.95Å; R92-W126 HydrophobicContact CG-CD2 3.86Å; R92-W126 HydrophobicContact CG-CE3 4.33Å; R92-W126 HydrophobicContact CG-CG 4.1Å; R92-W126 HydrophobicContact CG-CZ2 4.23Å; R92-W126 VanDerWaalsContact O-CZ2 3.29Å; R92-W126 WeakPolarHBondContact O-CZ2 3.23Å; I95-W126 HydrophobicContact CG2-CH2 3.74Å; I95-W126 HydrophobicContact CG2-CZ2 4.23Å; I114-W126 HydrophobicContact CD1-CH2 4Å; I114-W126 HydrophobicContact CD1-CZ3 4.43Å; I114-W126 HydrophobicContact CG1-CH2 3.93Å; I114-W126 HydrophobicContact CG1-CZ3 3.97Å; I117-W126 HydrophobicContact CB-CZ3 4.12Å; I117-W126 HydrophobicContact CG2-CD2 4.42Å; I117-W126 HydrophobicContact CG2-CE3 3.48Å; I117-W126 VanDerWaalsContact CG2-CE3 3.48Å; I117-W126 HydrophobicContact CG2-CH2 4.3Å; I117-W126 HydrophobicContact CG2-CZ3 3.4Å; I117-W126 VanDerWaalsContact CG2-CZ3 3.4Å; I118-W126 HydrophobicContact CG1-CZ3 4.16Å; D121-W126 HydrophobicContact CB-CB 3.8Å; D121-W126 PolarHBondContact O-N 3.26Å; W126-A128 VanDerWaalsContact C-N 3.33Å; W126-A128 PolarHBondContact O-N 3.26Å; W126-I129 HydrophobicContact CD2-CB 3.95Å; W126-I129 HydrophobicContact CD2-CG2 4.46Å; W126-I129 HydrophobicContact CE3-CB 4.09Å; W126-I129 HydrophobicContact CE3-CG1 4.48Å; W126-I129 HydrophobicContact CE3-CG2 4.48Å; W126-I129 HydrophobicContact CH2-CB 4.27Å; W126-I129 HydrophobicContact CH2-CD1 3.74Å; W126-I129 HydrophobicContact CH2-CG1 4.13Å; W126-I129 HydrophobicContact CZ2-CB 4.1Å; W126-I129 HydrophobicContact CZ2-CD1 3.92Å; W126-I129 HydrophobicContact CZ2-CG1 4.35Å; W126-I129 HydrophobicContact CZ3-CB 4.25Å; W126-I129 HydrophobicContact CZ3-CD1 4.27Å; W126-I129 HydrophobicContact CZ3-CG1 4.18Å; W126-I129 VanDerWaalsContact O-CG2 3.25Å; W126-I129 WeakPolarHBondContact O-CG2 3.49Å | ||
| 127 | T | 91.2 | Very high | 93.6 | Very high | 89 Ų | 89 | 47.3 Ų | 47.3 | 55% | 0.546 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -30 | 174.5 | 53.5 | 0 | 0 | 0 | 0 | 113.5 | P123 I129 V130 | P123-T127 WeakPolarHBondContact O-CG2 3.38Å; T127-I129 PolarHBondContact O-N 2.64Å; T127-V130 PolarHBondContact O-N 3.47Å; T127-V130 VanDerWaalsContact O-N 3.1Å |
| 128 | A | 93.3 | Very high | 93.3 | Very high | 34 Ų | 34 | 51.9 Ų | 51.9 | 28% | 0.281 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.2 | -16.7 | -176 | 0 | 0 | 0 | 0 | 0 | 114.7 | W126 V130 D131 K132 | W126-A128 VanDerWaalsContact C-N 3.33Å; W126-A128 PolarHBondContact O-N 3.26Å; A128-V130 PolarHBondContact O-N 3.34Å; A128-D131 PolarHBondContact O-N 2.99Å; A128-K132 PolarHBondContact O-N 2.89Å |
| 129 | I | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.7 | -37.7 | 173.4 | -173.6 | 52.1 | 0 | 0 | 0 | 111.9 | V96 I114 Y122 W126 T127 K132 I133 | V96-I129 HydrophobicContact CG2-CD1 3.52Å; I114-I129 HydrophobicContact CD1-CD1 3.96Å; Y122-I129 HydrophobicContact CD2-CG2 3.71Å; Y122-I129 HydrophobicContact CE2-CG2 4.27Å; Y122-I129 HydrophobicContact CG-CG2 4.42Å; W126-I129 HydrophobicContact CD2-CB 3.95Å; W126-I129 HydrophobicContact CD2-CG2 4.46Å; W126-I129 HydrophobicContact CE3-CB 4.09Å; W126-I129 HydrophobicContact CE3-CG1 4.48Å; W126-I129 HydrophobicContact CE3-CG2 4.48Å; W126-I129 HydrophobicContact CH2-CB 4.27Å; W126-I129 HydrophobicContact CH2-CD1 3.74Å; W126-I129 HydrophobicContact CH2-CG1 4.13Å; W126-I129 HydrophobicContact CZ2-CB 4.1Å; W126-I129 HydrophobicContact CZ2-CD1 3.92Å; W126-I129 HydrophobicContact CZ2-CG1 4.35Å; W126-I129 HydrophobicContact CZ3-CB 4.25Å; W126-I129 HydrophobicContact CZ3-CD1 4.27Å; W126-I129 HydrophobicContact CZ3-CG1 4.18Å; W126-I129 VanDerWaalsContact O-CG2 3.25Å; W126-I129 WeakPolarHBondContact O-CG2 3.49Å; T127-I129 PolarHBondContact O-N 2.64Å; I129-K132 PolarHBondContact O-N 3.15Å; I129-I133 HydrophobicContact CD1-CD1 4.1Å; I129-I133 HydrophobicContact CD1-CG1 4.2Å; I129-I133 HydrophobicContact CG1-CD1 3.9Å; I129-I133 HydrophobicContact CG1-CG1 4.45Å; I129-I133 WeakPolarHBondContact O-CB 3.34Å; I129-I133 VanDerWaalsContact O-CG1 3.23Å; I129-I133 WeakPolarHBondContact O-CG1 3.49Å; I129-I133 PolarHBondContact O-N 3.04Å |
| 130 | V | 95.1 | Very high | 92.7 | Very high | 28 Ų | 28 | 55.1 Ų | 55.1 | 17% | 0.17 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.8 | -43.4 | 177.6 | 176.6 | 0 | 0 | 0 | 0 | 109.9 | Y122 T127 A128 K132 I133 G134 L155 A173 F177 | Y122-V130 HydrophobicContact CD2-CG2 4.43Å; Y122-V130 HydrophobicContact CE2-CG2 3.51Å; T127-V130 PolarHBondContact O-N 3.47Å; T127-V130 VanDerWaalsContact O-N 3.1Å; A128-V130 PolarHBondContact O-N 3.34Å; V130-K132 PolarHBondContact O-N 2.97Å; V130-I133 PolarHBondContact O-N 3.34Å; V130-G134 PolarHBondContact O-N 3.48Å; V130-L155 HydrophobicContact CG2-CD2 4.35Å; V130-A173 HydrophobicContact CG1-CB 4.44Å; V130-A173 HydrophobicContact CG2-CB 4.23Å; V130-F177 HydrophobicContact CB-CZ 4.33Å; V130-F177 HydrophobicContact CG1-CE2 3.89Å; V130-F177 HydrophobicContact CG1-CZ 3.6Å; V130-F177 WeakPolarHBondContact O-CZ 3.48Å |
| 131 | D | 94.2 | Very high | 92.5 | Very high | 116 Ų | 116 | 55.7 Ų | 55.7 | 62% | 0.62 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -63.2 | -43.5 | 177.9 | -60.8 | -39.9 | 0 | 0 | 0 | 111.6 | A128 G134 F135 | A128-D131 PolarHBondContact O-N 2.99Å; D131-G134 PolarHBondContact O-N 3.48Å; D131-F135 WeakPolarHBondContact O-CB 3.39Å; D131-F135 PolarHBondContact O-N 2.92Å |
| 132 | K | 94.2 | Very high | 92.1 | Very high | 31 Ų | 31 | 58.2 Ų | 58.2 | 14% | 0.135 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 175.5 | -76.8 | -164.2 | 172.6 | -152.1 | 0 | 112.2 | E93 V96 E97 A128 I129 V130 G134 F135 Y136 | E93-K132 PolarHBondContact O-NZ 2.73Å; V96-K132 HydrophobicContact CB-CD 4.26Å; V96-K132 HydrophobicContact CG2-CD 4.14Å; E97-K132 VanDerWaalsContact CD-NZ 3.3Å; E97-K132 IonicContact OE1-NZ 2.74Å; E97-K132 PolarHBondContact OE1-NZ 2.87Å; E97-K132 IonicContact OE2-NZ 3.2Å; E97-K132 PolarHBondContact OE2-NZ 2.76Å; A128-K132 PolarHBondContact O-N 2.89Å; I129-K132 PolarHBondContact O-N 3.15Å; V130-K132 PolarHBondContact O-N 2.97Å; K132-G134 VanDerWaalsContact C-N 3.34Å; K132-G134 PolarHBondContact O-N 2.95Å; K132-F135 PolarHBondContact O-N 3.37Å; K132-Y136 WeakPolarHBondContact O-CD2 3.47Å; K132-Y136 PolarHBondContact O-N 3.38Å; K132-Y136 VanDerWaalsContact O-N 3.11Å |
| 133 | I | 95.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.8 | -47.6 | 175.5 | -69.8 | 167.1 | 0 | 0 | 0 | 110.3 | I129 V130 F135 L137 I148 C151 L152 L155 F177 | I129-I133 HydrophobicContact CD1-CD1 4.1Å; I129-I133 HydrophobicContact CD1-CG1 4.2Å; I129-I133 HydrophobicContact CG1-CD1 3.9Å; I129-I133 HydrophobicContact CG1-CG1 4.45Å; I129-I133 WeakPolarHBondContact O-CB 3.34Å; I129-I133 VanDerWaalsContact O-CG1 3.23Å; I129-I133 WeakPolarHBondContact O-CG1 3.49Å; I129-I133 PolarHBondContact O-N 3.04Å; V130-I133 PolarHBondContact O-N 3.34Å; I133-F135 PolarHBondContact O-N 2.81Å; I133-L137 WeakPolarHBondContact O-CB 3.38Å; I133-L137 PolarHBondContact O-N 2.79Å; I133-I148 HydrophobicContact CB-CD1 4.32Å; I133-I148 HydrophobicContact CB-CG1 4.21Å; I133-I148 HydrophobicContact CG1-CD1 3.89Å; I133-I148 HydrophobicContact CG1-CG1 4.14Å; I133-I148 HydrophobicContact CG2-CG1 4.17Å; I133-C151 HydrophobicContact CD1-CB 4.37Å; I133-C151 HydrophobicContact CG1-CB 4.35Å; I133-L152 HydrophobicContact CD1-CB 4.34Å; I133-L152 HydrophobicContact CG2-CB 4.12Å; I133-L152 HydrophobicContact CG2-CD1 4.36Å; I133-L152 HydrophobicContact CG2-CD2 4.38Å; I133-L155 HydrophobicContact CD1-CD2 4.33Å; I133-F177 HydrophobicContact CB-CE1 4.15Å; I133-F177 HydrophobicContact CB-CE2 4.37Å; I133-F177 HydrophobicContact CB-CZ 3.72Å; I133-F177 HydrophobicContact CG2-CD1 4.15Å; I133-F177 HydrophobicContact CG2-CD2 4.45Å; I133-F177 HydrophobicContact CG2-CE1 3.62Å; I133-F177 HydrophobicContact CG2-CE2 3.93Å; I133-F177 HydrophobicContact CG2-CZ 3.48Å; I133-F177 VanDerWaalsContact CG2-CZ 3.48Å |
| 134 | G | 93.9 | Very high | 91.8 | Very high | 5 Ų | 5 | 57.7 Ų | 57.7 | 5% | 0.052 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.3 | -47.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V130 D131 K132 Q138 | V130-G134 PolarHBondContact O-N 3.48Å; D131-G134 PolarHBondContact O-N 3.48Å; K132-G134 VanDerWaalsContact C-N 3.34Å; K132-G134 PolarHBondContact O-N 2.95Å; G134-Q138 VanDerWaalsContact O-CB 3.32Å; G134-Q138 WeakPolarHBondContact O-CB 3.27Å; G134-Q138 VanDerWaalsContact O-CG 3.27Å; G134-Q138 WeakPolarHBondContact O-CG 3.39Å; G134-Q138 PolarHBondContact O-N 3.25Å |
| 135 | F | 94.6 | Very high | 92.1 | Very high | 140 Ų | 140 | 53.7 Ų | 53.7 | 61% | 0.614 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -58 | -52 | -179.7 | 177.5 | -99.6 | 0 | 0 | 0 | 112.6 | D131 K132 I133 S139 | D131-F135 WeakPolarHBondContact O-CB 3.39Å; D131-F135 PolarHBondContact O-N 2.92Å; K132-F135 PolarHBondContact O-N 3.37Å; I133-F135 PolarHBondContact O-N 2.81Å; F135-S139 PolarHBondContact O-N 3.26Å |
| 136 | Y | 94.4 | Very high | 92.4 | Very high | 45 Ų | 45 | 48.5 Ų | 48.5 | 18% | 0.176 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -73.9 | -34.8 | -177.3 | -77.6 | -70.6 | 0 | 0 | 0 | 113 | V96 E97 I100 K132 Q138 S139 C144 I148 | V96-Y136 HydrophobicContact CG1-CD2 4.29Å; V96-Y136 HydrophobicContact CG1-CE2 4.45Å; E97-Y136 HydrophobicContact CG-CE2 4.39Å; E97-Y136 WeakPolarHBondContact CG-OH 3.28Å; E97-Y136 PolarHBondContact OE1-OH 3.19Å; I100-Y136 HydrophobicContact CD1-CD1 3.81Å; I100-Y136 HydrophobicContact CD1-CD2 3.93Å; I100-Y136 HydrophobicContact CD1-CE1 4.03Å; I100-Y136 HydrophobicContact CD1-CE2 4.15Å; I100-Y136 HydrophobicContact CD1-CG 3.76Å; K132-Y136 WeakPolarHBondContact O-CD2 3.47Å; K132-Y136 PolarHBondContact O-N 3.38Å; K132-Y136 VanDerWaalsContact O-N 3.11Å; Y136-Q138 VanDerWaalsContact C-N 3.33Å; Y136-S139 WeakPolarHBondContact O-CB 3.36Å; Y136-S139 PolarHBondContact O-N 3.12Å; Y136-S139 PolarHBondContact O-OG 3.37Å; Y136-C144 HydrophobicContact CD1-CB 4.26Å; Y136-I148 HydrophobicContact CD2-CD1 4.29Å |
| 137 | L | 92.8 | Very high | 92.5 | Very high | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.4 | -34 | 178 | -171.7 | 64.7 | 0 | 0 | 0 | 112 | I133 S139 I148 L149 F177 V180 L181 R184 | I133-L137 WeakPolarHBondContact O-CB 3.38Å; I133-L137 PolarHBondContact O-N 2.79Å; L137-S139 VanDerWaalsContact C-N 3.34Å; L137-I148 HydrophobicContact CB-CG2 4.19Å; L137-I148 HydrophobicContact CD1-CG2 4.05Å; L137-L149 HydrophobicContact CD1-CD2 3.96Å; L137-L149 HydrophobicContact CD1-CG 4.35Å; L137-F177 HydrophobicContact CD2-CD1 4.32Å; L137-V180 HydrophobicContact CD2-CB 4.17Å; L137-V180 HydrophobicContact CD2-CG1 3.69Å; L137-V180 HydrophobicContact CG-CG1 3.71Å; L137-L181 HydrophobicContact CD1-CD2 4.45Å; L137-L181 HydrophobicContact CD2-CD2 4.02Å; L137-R184 PolarHBondContact O-NE 3.4Å; L137-R184 PolarHBondContact O-NH2 3.44Å |
| 138 | Q | 92 | Very high | 92.7 | Very high | 96 Ų | 96 | 44 Ų | 44 | 45% | 0.449 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -81.5 | -11.9 | 175.6 | -67.7 | 175.7 | 24.5 | 0 | 0 | 113.5 | G134 Y136 H176 V180 R184 | G134-Q138 VanDerWaalsContact O-CB 3.32Å; G134-Q138 WeakPolarHBondContact O-CB 3.27Å; G134-Q138 VanDerWaalsContact O-CG 3.27Å; G134-Q138 WeakPolarHBondContact O-CG 3.39Å; G134-Q138 PolarHBondContact O-N 3.25Å; Y136-Q138 VanDerWaalsContact C-N 3.33Å; Q138-H176 PolarHBondContact NE2-CE1 3.45Å; Q138-H176 PolarHBondContact NE2-NE2 3.17Å; Q138-V180 HydrophobicContact CG-CG1 4.25Å; Q138-R184 PolarHBondContact O-NH2 3.05Å |
| 139 | S | 91.2 | Very high | 92.9 | Very high | 29 Ų | 29 | 42.4 Ų | 42.4 | 20% | 0.203 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -65.1 | 148.3 | 176.5 | 80.1 | 0 | 0 | 0 | 0 | 112.5 | F135 Y136 L137 N141 W145 R184 | F135-S139 PolarHBondContact O-N 3.26Å; Y136-S139 WeakPolarHBondContact O-CB 3.36Å; Y136-S139 PolarHBondContact O-N 3.12Å; Y136-S139 PolarHBondContact O-OG 3.37Å; L137-S139 VanDerWaalsContact C-N 3.34Å; S139-N141 PolarHBondContact O-N 3.39Å; S139-W145 PolarHBondContact O-NE1 2.92Å; S139-W145 VanDerWaalsContact O-NE1 3.12Å; S139-R184 PolarHBondContact O-NH2 3.45Å |
| 140 | D | 86.5 | Confident | 93 | Very high | 155 Ų | 155 | 44 Ų | 44 | 83% | 0.829 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -73.1 | -4.4 | 174.9 | -66.4 | -37.4 | 0 | 0 | 0 | 113.1 | S142 | D140-S142 PolarHBondContact O-N 3.01Š|
| 141 | N | 87.8 | Confident | 93.1 | Very high | 85 Ų | 85 | 42.6 Ų | 42.6 | 46% | 0.455 | 23% | 0.23 | S | C | . | . | trans | -87.2 | 96.8 | -178.5 | -174.5 | 5.7 | 0 | 0 | 0 | 111.4 | S139 A143 C144 W145 | S139-N141 PolarHBondContact O-N 3.39Å; N141-A143 PolarHBondContact O-N 2.58Å; N141-A143 VanDerWaalsContact O-N 3.15Å; N141-A143 VanDerWaalsContact OD1-CB 3.28Å; N141-A143 WeakPolarHBondContact OD1-CB 3.45Å; N141-A143 PolarHBondContact OD1-N 3.19Å; N141-A143 VanDerWaalsContact OD1-N 3.16Å; N141-C144 PolarHBondContact ND2-SG 2.96Å; N141-C144 PolarHBondContact O-N 2.94Å; N141-W145 PolarHBondContact O-NE1 3.17Å | ||
| 142 | S | 86.5 | Confident | 93.3 | Very high | 55 Ų | 55 | 37.1 Ų | 37.1 | 39% | 0.385 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -62 | -21.3 | 179.4 | 63.6 | 0 | 0 | 0 | 0 | 114.4 | D140 C144 W145 | D140-S142 PolarHBondContact O-N 3.01Å; S142-C144 PolarHBondContact O-N 2.84Å; S142-W145 PolarHBondContact O-N 2.9Å |
| 143 | A | 87.1 | Confident | 93.5 | Very high | 59 Ų | 59 | 37 Ų | 37 | 49% | 0.488 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -63 | -26 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N141 | N141-A143 PolarHBondContact O-N 2.58Å; N141-A143 VanDerWaalsContact O-N 3.15Å; N141-A143 VanDerWaalsContact OD1-CB 3.28Å; N141-A143 WeakPolarHBondContact OD1-CB 3.45Å; N141-A143 PolarHBondContact OD1-N 3.19Å; N141-A143 VanDerWaalsContact OD1-N 3.16Å |
| 144 | C | 92.4 | Very high | 93.6 | Very high | 7 Ų | 7 | 37.8 Ų | 37.8 | 5% | 0.047 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -85.8 | -16.2 | -179.6 | -57.6 | 0 | 0 | 0 | 0 | 113.9 | I100 Y136 N141 S142 L146 G147 I148 | I100-C144 HydrophobicContact CD1-CB 4.25Å; I100-C144 HydrophobicContact CG1-CB 4.42Å; I100-C144 HydrophobicContact CG2-CB 3.9Å; Y136-C144 HydrophobicContact CD1-CB 4.26Å; N141-C144 PolarHBondContact ND2-SG 2.96Å; N141-C144 PolarHBondContact O-N 2.94Å; S142-C144 PolarHBondContact O-N 2.84Å; C144-L146 PolarHBondContact O-N 2.92Å; C144-G147 PolarHBondContact O-N 3.35Å; C144-I148 PolarHBondContact O-N 3.08Å |
| 145 | W | 94.3 | Very high | 93.7 | Very high | 9 Ų | 9 | 37.6 Ų | 37.6 | 3% | 0.034 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.9 | -41.8 | -166.5 | -67.1 | -8 | 0 | 0 | 0 | 113.4 | S139 N141 S142 G147 I148 L149 L188 I199 | S139-W145 PolarHBondContact O-NE1 2.92Å; S139-W145 VanDerWaalsContact O-NE1 3.12Å; N141-W145 PolarHBondContact O-NE1 3.17Å; S142-W145 PolarHBondContact O-N 2.9Å; W145-G147 PolarHBondContact O-N 2.73Å; W145-I148 WeakPolarHBondContact O-CG2 3.45Å; W145-I148 PolarHBondContact O-N 3.01Å; W145-L149 WeakPolarHBondContact O-CB 3.31Å; W145-L149 WeakPolarHBondContact O-CD1 3.26Å; W145-L149 WeakPolarHBondContact O-CG 3.45Å; W145-L149 PolarHBondContact O-N 2.93Å; W145-L188 HydrophobicContact CE3-CD1 4.15Å; W145-L188 HydrophobicContact CE3-CD2 4.3Å; W145-L188 HydrophobicContact CZ3-CD1 4.13Å; W145-L188 HydrophobicContact CZ3-CD2 3.78Å; W145-L188 HydrophobicContact CZ3-CG 4.02Å; W145-I199 HydrophobicContact CB-CD1 4.07Å; W145-I199 HydrophobicContact CE3-CD1 4.24Å |
| 146 | L | 94.3 | Very high | 93.9 | Very high | 24 Ų | 24 | 30.9 Ų | 30.9 | 13% | 0.126 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.1 | -46.8 | 178.4 | -179.3 | 63.5 | 0 | 0 | 0 | 111.3 | C144 I148 L149 L150 L198 I199 Q202 | C144-L146 PolarHBondContact O-N 2.92Å; L146-I148 PolarHBondContact O-N 3.34Å; L146-L149 PolarHBondContact O-N 3.03Å; L146-L150 HydrophobicContact CG-CD1 4.41Å; L146-L150 WeakPolarHBondContact O-CG 3.42Å; L146-L150 PolarHBondContact O-N 3.49Å; L146-L198 HydrophobicContact CD1-CD2 4.34Å; L146-L198 HydrophobicContact CD1-CG 4.11Å; L146-L198 HydrophobicContact CD2-CD2 3.59Å; L146-L198 HydrophobicContact CD2-CG 4.27Å; L146-I199 HydrophobicContact CB-CG1 4.22Å; L146-Q202 HydrophobicContact CD1-CB 4.29Å; L146-Q202 HydrophobicContact CD1-CG 4.43Å |
| 147 | G | 95.3 | Very high | 93.9 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.3 | -45.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | I99 C144 W145 L149 L150 C151 | I99-G147 WeakPolarHBondContact CG2-O 3.42Å; C144-G147 PolarHBondContact O-N 3.35Å; W145-G147 PolarHBondContact O-N 2.73Å; G147-L149 PolarHBondContact O-N 3.3Å; G147-L150 WeakPolarHBondContact O-CB 3.32Å; G147-L150 PolarHBondContact O-N 3.37Å; G147-C151 PolarHBondContact O-N 3.42Å; G147-C151 PolarHBondContact O-SG 2.89Å; G147-C151 VanDerWaalsContact O-SG 3.4Å |
| 148 | I | 96.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -70.8 | -32.5 | -179.6 | -155.4 | 64.2 | 0 | 0 | 0 | 113.1 | V96 I133 Y136 L137 C144 W145 L146 L150 C151 L152 | V96-I148 HydrophobicContact CG1-CD1 3.48Å; V96-I148 VanDerWaalsContact CG1-CD1 3.48Å; I133-I148 HydrophobicContact CB-CD1 4.32Å; I133-I148 HydrophobicContact CB-CG1 4.21Å; I133-I148 HydrophobicContact CG1-CD1 3.89Å; I133-I148 HydrophobicContact CG1-CG1 4.14Å; I133-I148 HydrophobicContact CG2-CG1 4.17Å; Y136-I148 HydrophobicContact CD2-CD1 4.29Å; L137-I148 HydrophobicContact CB-CG2 4.19Å; L137-I148 HydrophobicContact CD1-CG2 4.05Å; C144-I148 PolarHBondContact O-N 3.08Å; W145-I148 WeakPolarHBondContact O-CG2 3.45Å; W145-I148 PolarHBondContact O-N 3.01Å; L146-I148 PolarHBondContact O-N 3.34Å; I148-L150 VanDerWaalsContact C-N 3.32Å; I148-C151 HydrophobicContact CD1-CB 4.45Å; I148-C151 WeakPolarHBondContact O-CB 3.26Å; I148-C151 PolarHBondContact O-N 3.14Å; I148-L152 PolarHBondContact O-N 2.84Å |
| 149 | L | 97.6 | Very high | 94.1 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69.9 | -29.3 | 173.9 | -70.3 | 169.8 | 0 | 0 | 0 | 112.3 | L137 W145 L146 G147 Y153 L181 I199 Q202 I203 I206 | L137-L149 HydrophobicContact CD1-CD2 3.96Å; L137-L149 HydrophobicContact CD1-CG 4.35Å; W145-L149 WeakPolarHBondContact O-CB 3.31Å; W145-L149 WeakPolarHBondContact O-CD1 3.26Å; W145-L149 WeakPolarHBondContact O-CG 3.45Å; W145-L149 PolarHBondContact O-N 2.93Å; L146-L149 PolarHBondContact O-N 3.03Å; G147-L149 PolarHBondContact O-N 3.3Å; L149-Y153 VanDerWaalsContact O-CB 3.25Å; L149-Y153 WeakPolarHBondContact O-CB 3.49Å; L149-Y153 PolarHBondContact O-N 2.93Å; L149-L181 HydrophobicContact CD2-CD2 3.29Å; L149-I199 HydrophobicContact CD1-CG2 3.58Å; L149-Q202 HydrophobicContact CB-CB 4.43Å; L149-Q202 HydrophobicContact CB-CG 3.71Å; L149-Q202 HydrophobicContact CD1-CB 4.48Å; L149-I203 HydrophobicContact CD1-CD1 4.43Å; L149-I203 HydrophobicContact CD1-CG1 3.82Å; L149-I203 HydrophobicContact CD2-CG1 4.05Å; L149-I206 HydrophobicContact CB-CD1 4.04Å; L149-I206 HydrophobicContact CD2-CD1 3.61Å; L149-I206 HydrophobicContact CG-CD1 4.42Å; L149-I206 WeakPolarHBondContact O-CD1 3.35Å |
| 150 | L | 97.3 | Very high | 94 | Very high | 32 Ų | 32 | 28.4 Ų | 28.4 | 17% | 0.168 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.5 | -42.4 | 170.1 | -69.7 | 168.3 | 0 | 0 | 0 | 110.8 | R107 T111 L146 G147 I148 Y153 Q154 | R107-L150 VanDerWaalsContact CD-CD1 3.48Å; R107-L150 HydrophobicContact CG-CD1 3.99Å; T111-L150 HydrophobicContact CG2-CB 4.3Å; L146-L150 HydrophobicContact CG-CD1 4.41Å; L146-L150 WeakPolarHBondContact O-CG 3.42Å; L146-L150 PolarHBondContact O-N 3.49Å; G147-L150 WeakPolarHBondContact O-CB 3.32Å; G147-L150 PolarHBondContact O-N 3.37Å; I148-L150 VanDerWaalsContact C-N 3.32Å; L150-Y153 PolarHBondContact O-N 3.24Å; L150-Q154 WeakPolarHBondContact O-CG 3.43Å; L150-Q154 PolarHBondContact O-N 2.93Å; L150-Q154 VanDerWaalsContact O-N 3.08Å |
| 151 | C | 97.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61 | -48.2 | 173.8 | -59.5 | 0 | 0 | 0 | 0 | 111.9 | I99 I114 I133 G147 I148 Y153 Q154 L155 | I99-C151 VanDerWaalsContact CD1-SG 3.59Å; I114-C151 HydrophobicContact CD1-CB 4.02Å; I133-C151 HydrophobicContact CD1-CB 4.37Å; I133-C151 HydrophobicContact CG1-CB 4.35Å; G147-C151 PolarHBondContact O-N 3.42Å; G147-C151 PolarHBondContact O-SG 2.89Å; G147-C151 VanDerWaalsContact O-SG 3.4Å; I148-C151 HydrophobicContact CD1-CB 4.45Å; I148-C151 WeakPolarHBondContact O-CB 3.26Å; I148-C151 PolarHBondContact O-N 3.14Å; C151-Y153 VanDerWaalsContact C-N 3.29Å; C151-Y153 PolarHBondContact O-N 2.75Å; C151-Q154 PolarHBondContact O-N 3.24Å; C151-Q154 VanDerWaalsContact O-N 3.15Å; C151-L155 PolarHBondContact O-N 3.32Å; C151-L155 VanDerWaalsContact O-N 3.08Å |
| 152 | L | 97.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.5 | -38.5 | 177 | 179.7 | 56.1 | 0 | 0 | 0 | 111.8 | I133 I148 Q154 L155 V156 M174 F177 L181 I206 | I133-L152 HydrophobicContact CD1-CB 4.34Å; I133-L152 HydrophobicContact CG2-CB 4.12Å; I133-L152 HydrophobicContact CG2-CD1 4.36Å; I133-L152 HydrophobicContact CG2-CD2 4.38Å; I148-L152 PolarHBondContact O-N 2.84Å; L152-Q154 VanDerWaalsContact C-N 3.32Å; L152-Q154 PolarHBondContact O-N 3.05Å; L152-L155 HydrophobicContact CD1-CB 4.49Å; L152-L155 HydrophobicContact CD1-CD2 4.13Å; L152-L155 WeakPolarHBondContact O-CB 3.38Å; L152-L155 PolarHBondContact O-N 3.32Å; L152-L155 VanDerWaalsContact O-N 3.15Å; L152-V156 HydrophobicContact CD1-CG2 4.3Å; L152-V156 WeakPolarHBondContact O-CG2 3.37Å; L152-V156 PolarHBondContact O-N 2.87Å; L152-M174 HydrophobicContact CD1-SD 4.01Å; L152-F177 HydrophobicContact CD1-CD2 3.58Å; L152-F177 HydrophobicContact CD1-CE2 3.96Å; L152-F177 HydrophobicContact CD1-CG 4.31Å; L152-F177 HydrophobicContact CD2-CB 4.14Å; L152-F177 HydrophobicContact CD2-CD2 4.33Å; L152-F177 HydrophobicContact CD2-CG 4.25Å; L152-L181 HydrophobicContact CD2-CD1 4.01Å; L152-L181 HydrophobicContact CD2-CD2 4.01Å; L152-L181 HydrophobicContact CD2-CG 4.33Å; L152-I206 HydrophobicContact CB-CD1 4.28Å; L152-I206 HydrophobicContact CD2-CD1 4.16Å; L152-I206 HydrophobicContact CD2-CG2 4.39Å; L152-I206 HydrophobicContact CG-CD1 4.18Å; L152-I206 HydrophobicContact CG-CG2 4.24Å |
| 153 | Y | 98 | Very high | 94.3 | Very high | 27 Ų | 27 | 32.4 Ų | 32.4 | 11% | 0.106 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.3 | -40.6 | 174.9 | 179 | -116.5 | 0 | 0 | 0 | 112.1 | L149 L150 C151 L155 V156 K157 Q202 K205 I206 A209 | L149-Y153 VanDerWaalsContact O-CB 3.25Å; L149-Y153 WeakPolarHBondContact O-CB 3.49Å; L149-Y153 PolarHBondContact O-N 2.93Å; L150-Y153 PolarHBondContact O-N 3.24Å; C151-Y153 VanDerWaalsContact C-N 3.29Å; C151-Y153 PolarHBondContact O-N 2.75Å; Y153-L155 VanDerWaalsContact C-N 3.29Å; Y153-L155 PolarHBondContact O-N 2.98Å; Y153-V156 PolarHBondContact O-N 3.41Å; Y153-K157 HydrophobicContact CE1-CD 4.17Å; Y153-K157 WeakPolarHBondContact O-CB 3.35Å; Y153-K157 PolarHBondContact O-N 2.87Å; Y153-Q202 VanDerWaalsContact CB-NE2 3.28Å; Y153-K205 HydrophobicContact CD2-CB 4.26Å; Y153-K205 HydrophobicContact CE2-CB 4.1Å; Y153-K205 WeakPolarHBondContact OH-CE 3.48Å; Y153-I206 HydrophobicContact CD2-CG1 4.08Å; Y153-I206 HydrophobicContact CG-CG1 4.38Å; Y153-A209 HydrophobicContact CD2-CB 4.49Å; Y153-A209 HydrophobicContact CE2-CB 3.94Å |
| 154 | Q | 97.7 | Very high | 94.1 | Very high | 18 Ų | 18 | 32.8 Ų | 32.8 | 8% | 0.084 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.5 | -34.5 | 174.7 | -60.1 | -44.4 | -41.5 | 0 | 0 | 112.6 | T111 I114 H115 I118 L150 C151 L152 N158 | T111-Q154 HydrophobicContact CG2-CG 3.58Å; I114-Q154 HydrophobicContact CG2-CB 4.18Å; I114-Q154 HydrophobicContact CG2-CG 3.87Å; H115-Q154 HydrophobicContact CB-CB 4.15Å; H115-Q154 HydrophobicContact CB-CG 4.05Å; H115-Q154 PolarHBondContact ND1-OE1 3.39Å; H115-Q154 VanDerWaalsContact ND1-OE1 3.14Å; I118-Q154 HydrophobicContact CD1-CB 4.01Å; L150-Q154 WeakPolarHBondContact O-CG 3.43Å; L150-Q154 PolarHBondContact O-N 2.93Å; L150-Q154 VanDerWaalsContact O-N 3.08Å; C151-Q154 PolarHBondContact O-N 3.24Å; C151-Q154 VanDerWaalsContact O-N 3.15Å; L152-Q154 VanDerWaalsContact C-N 3.32Å; L152-Q154 PolarHBondContact O-N 3.05Å; Q154-N158 WeakPolarHBondContact O-CB 3.46Å; Q154-N158 PolarHBondContact O-N 3.18Å; Q154-N158 VanDerWaalsContact O-N 3.1Å |
| 155 | L | 97 | Very high | 93.8 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.4 | -49.4 | 172.9 | -178.8 | 63.8 | 0 | 0 | 0 | 111.5 | I118 Y122 V130 I133 C151 L152 Y153 Y159 A173 | I118-L155 HydrophobicContact CD1-CB 4.2Å; I118-L155 HydrophobicContact CG2-CD1 3.88Å; Y122-L155 HydrophobicContact CD1-CD1 3.43Å; Y122-L155 VanDerWaalsContact CD1-CD1 3.43Å; Y122-L155 HydrophobicContact CD2-CD1 4.43Å; Y122-L155 HydrophobicContact CE1-CD1 3.57Å; Y122-L155 HydrophobicContact CG-CD1 3.9Å; V130-L155 HydrophobicContact CG2-CD2 4.35Å; I133-L155 HydrophobicContact CD1-CD2 4.33Å; C151-L155 PolarHBondContact O-N 3.32Å; C151-L155 VanDerWaalsContact O-N 3.08Å; L152-L155 HydrophobicContact CD1-CB 4.49Å; L152-L155 HydrophobicContact CD1-CD2 4.13Å; L152-L155 WeakPolarHBondContact O-CB 3.38Å; L152-L155 PolarHBondContact O-N 3.32Å; L152-L155 VanDerWaalsContact O-N 3.15Å; Y153-L155 VanDerWaalsContact C-N 3.29Å; Y153-L155 PolarHBondContact O-N 2.98Å; L155-Y159 HydrophobicContact CD1-CE2 4.41Å; L155-Y159 WeakPolarHBondContact O-CD2 3.38Å; L155-A173 HydrophobicContact CD2-CB 4.3Å |
| 156 | V | 97.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.3 | -44.4 | 178.5 | -177.4 | 0 | 0 | 0 | 0 | 111.3 | L152 Y153 N158 Y159 E160 L170 M174 I206 A209 L210 | L152-V156 HydrophobicContact CD1-CG2 4.3Å; L152-V156 WeakPolarHBondContact O-CG2 3.37Å; L152-V156 PolarHBondContact O-N 2.87Å; Y153-V156 PolarHBondContact O-N 3.41Å; V156-N158 PolarHBondContact O-N 3.38Å; V156-Y159 PolarHBondContact O-N 3.1Å; V156-E160 PolarHBondContact O-N 3.39Å; V156-L170 HydrophobicContact CB-CD1 4.31Å; V156-L170 HydrophobicContact CG1-CD1 4.46Å; V156-L170 HydrophobicContact CG1-CD2 4.37Å; V156-L170 HydrophobicContact CG2-CD1 3.92Å; V156-M174 HydrophobicContact CG2-SD 3.86Å; V156-I206 HydrophobicContact CG2-CG2 3.75Å; V156-A209 HydrophobicContact CG1-CB 3.94Å; V156-L210 HydrophobicContact CG1-CB 3.95Å |
| 157 | K | 94 | Very high | 93.6 | Very high | 81 Ų | 81 | 42 Ų | 42 | 35% | 0.352 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -58.8 | -33.7 | -179.3 | -167.1 | 175 | -174.9 | -173.2 | 0 | 112.7 | Y153 Y159 E160 | Y153-K157 HydrophobicContact CE1-CD 4.17Å; Y153-K157 WeakPolarHBondContact O-CB 3.35Å; Y153-K157 PolarHBondContact O-N 2.87Å; K157-Y159 PolarHBondContact O-N 3.08Å; K157-E160 WeakPolarHBondContact CG-OE2 3.42Å; K157-E160 VanDerWaalsContact O-CB 3.28Å; K157-E160 WeakPolarHBondContact O-CB 3.33Å; K157-E160 PolarHBondContact O-N 3.06Å |
| 158 | N | 94.5 | Very high | 93.5 | Very high | 23 Ų | 23 | 45.6 Ų | 45.6 | 12% | 0.123 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -21.6 | 176.3 | -176 | 64.3 | 0 | 0 | 0 | 114.1 | I118 K119 Q154 V156 | I118-N158 HydrophobicContact CG2-CB 3.93Å; K119-N158 WeakPolarHBondContact CA-OD1 3.35Å; K119-N158 WeakPolarHBondContact CB-OD1 3.31Å; Q154-N158 WeakPolarHBondContact O-CB 3.46Å; Q154-N158 PolarHBondContact O-N 3.18Å; Q154-N158 VanDerWaalsContact O-N 3.1Å; V156-N158 PolarHBondContact O-N 3.38Å |
| 159 | Y | 94.8 | Very high | 93.3 | Very high | 5 Ų | 5 | 46.9 Ų | 46.9 | 2% | 0.02 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | 8 | -179.7 | -69.4 | -96.4 | 0 | 0 | 0 | 112.3 | Y122 P123 L155 V156 K157 Y161 K162 E166 R167 P169 L170 | Y122-Y159 AromaticContact CD1-CE2 3.83Å; Y122-Y159 HydrophobicContact CD1-CE2 3.83Å; Y122-Y159 AromaticContact CD1-CZ 3.99Å; Y122-Y159 VanDerWaalsContact CD1-OH 3.31Å; Y122-Y159 WeakPolarHBondContact CD1-OH 3.18Å; Y122-Y159 AromaticContact CE1-CE2 3.97Å; Y122-Y159 HydrophobicContact CE1-CE2 3.97Å; Y122-Y159 PolarHBondContact O-OH 3.39Å; P123-Y159 WeakPolarHBondContact CD-OH 3.5Å; L155-Y159 HydrophobicContact CD1-CE2 4.41Å; L155-Y159 WeakPolarHBondContact O-CD2 3.38Å; V156-Y159 PolarHBondContact O-N 3.1Å; K157-Y159 PolarHBondContact O-N 3.08Å; Y159-Y161 PolarHBondContact O-N 2.96Å; Y159-K162 HydrophobicContact CD1-CD 3.77Å; Y159-K162 HydrophobicContact CE1-CD 4.21Å; Y159-K162 HydrophobicContact CG-CD 4.43Å; Y159-K162 PolarHBondContact O-N 2.69Å; Y159-E166 WeakPolarHBondContact CE1-O 3.42Å; Y159-R167 PolarHBondContact O-NH1 2.95Å; Y159-P169 HydrophobicContact CE1-CB 4.46Å; Y159-P169 HydrophobicContact CE1-CG 4.29Å; Y159-L170 HydrophobicContact CD1-CB 4.07Å; Y159-L170 HydrophobicContact CD2-CB 3.99Å; Y159-L170 HydrophobicContact CE2-CB 4.48Å; Y159-L170 HydrophobicContact CG-CB 3.78Å; Y159-L170 HydrophobicContact CG-CD2 4.21Å; Y159-L170 HydrophobicContact CG-CG 4.49Å |
| 160 | E | 90.4 | Very high | 93.2 | Very high | 11 Ų | 11 | 46.8 Ų | 46.8 | 5% | 0.051 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -44.9 | -174.9 | -179.7 | 171.8 | -166.1 | 0 | 0 | 111.8 | V156 K157 R167 Q212 Y213 | V156-E160 PolarHBondContact O-N 3.39Å; K157-E160 WeakPolarHBondContact CG-OE2 3.42Å; K157-E160 VanDerWaalsContact O-CB 3.28Å; K157-E160 WeakPolarHBondContact O-CB 3.33Å; K157-E160 PolarHBondContact O-N 3.06Å; E160-R167 PolarHBondContact O-NH1 3.48Å; E160-Q212 PolarHBondContact OE1-OE1 2.99Å; E160-Y213 HydrophobicContact CG-CD2 3.62Å; E160-Y213 HydrophobicContact CG-CE2 3.63Å; E160-Y213 WeakPolarHBondContact O-CD2 3.34Å |
| 161 | Y | 89.2 | Confident | 93.1 | Very high | 166 Ų | 166 | 46.4 Ų | 46.4 | 65% | 0.651 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | 5.6 | -177.6 | -57.9 | -83.9 | 0 | 0 | 0 | 114.1 | Y159 Y213 | Y159-Y161 PolarHBondContact O-N 2.96Å; Y161-Y213 HydrophobicContact CD1-CD2 4.42Å; Y161-Y213 AromaticContact CD1-CE2 3.89Å; Y161-Y213 HydrophobicContact CD1-CE2 3.89Å; Y161-Y213 HydrophobicContact CE1-CD2 4.43Å; Y161-Y213 HydrophobicContact CE1-CE1 4.41Å; Y161-Y213 AromaticContact CE1-CE2 3.5Å; Y161-Y213 HydrophobicContact CE1-CE2 3.5Å; Y161-Y213 VanDerWaalsContact CE1-CE2 3.5Å; Y161-Y213 AromaticContact CE1-CZ 3.48Å; Y161-Y213 VanDerWaalsContact CE1-CZ 3.48Å; Y161-Y213 VanDerWaalsContact CE1-OH 3.27Å; Y161-Y213 WeakPolarHBondContact CE1-OH 3.49Å; Y161-Y213 AromaticContact CZ-CE2 3.93Å |
| 162 | K | 89.8 | Confident | 92.9 | Very high | 70 Ų | 70 | 49.7 Ų | 49.7 | 30% | 0.304 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -82.1 | 148.6 | -178.6 | -71.2 | -157.7 | 169 | -142.4 | 0 | 111.9 | Y159 E166 R167 | Y159-K162 HydrophobicContact CD1-CD 3.77Å; Y159-K162 HydrophobicContact CE1-CD 4.21Å; Y159-K162 HydrophobicContact CG-CD 4.43Å; Y159-K162 PolarHBondContact O-N 2.69Å; K162-E166 HydrophobicContact CB-CB 4.19Å; K162-E166 HydrophobicContact CD-CB 4.05Å; K162-E166 IonicContact NZ-OE1 2.95Å; K162-E166 PolarHBondContact NZ-OE1 2.84Å; K162-R167 HydrophobicContact CB-CG 4.22Å; K162-R167 WeakPolarHBondContact O-CD 3.26Å |
| 163 | K | 86.6 | Confident | 92.8 | Very high | 143 Ų | 143 | 49.9 Ų | 49.9 | 62% | 0.622 | 25% | 0.253 | S | S | * | . | trans | -62.7 | 152.4 | 175.3 | -61.4 | -171.6 | 177.9 | -174.9 | 0 | 111.1 | E165 E166 R167 | K163-E165 WeakPolarHBondContact CB-OE2 3.3Å; K163-E165 PolarHBondContact O-N 2.95Å; K163-E165 VanDerWaalsContact O-N 3.11Å; K163-E166 PolarHBondContact O-N 3.02Å; K163-E166 VanDerWaalsContact O-N 3.08Å; K163-R167 WeakPolarHBondContact O-CG 3.47Å; K163-R167 PolarHBondContact O-N 3.48Å | ||
| 164 | P | 84.3 | Confident | 92.7 | Very high | 67 Ų | 67 | 48.6 Ų | 48.6 | 44% | 0.435 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -51 | -36.7 | -176.5 | -27.7 | 35.7 | 0 | 0 | 0 | 114.6 | E166 R167 T214 | P164-E166 VanDerWaalsContact C-N 3.32Å; P164-E166 PolarHBondContact O-N 2.94Å; P164-R167 WeakPolarHBondContact O-CB 3.36Å; P164-R167 PolarHBondContact O-N 3.35Å; P164-R167 VanDerWaalsContact O-N 3.15Å; P164-T214 HydrophobicContact CB-CG2 4.34Å; P164-T214 HydrophobicContact CG-CG2 3.99Å |
| 165 | E | 86.3 | Confident | 92.6 | Very high | 136 Ų | 136 | 52.9 Ų | 52.9 | 64% | 0.636 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -67 | -34.4 | -177 | -53.6 | 68.9 | -141.7 | 0 | 0 | 111.7 | K163 R167 | K163-E165 WeakPolarHBondContact CB-OE2 3.3Å; K163-E165 PolarHBondContact O-N 2.95Å; K163-E165 VanDerWaalsContact O-N 3.11Å; E165-R167 VanDerWaalsContact C-N 3.3Å; E165-R167 PolarHBondContact O-N 2.9Å |
| 166 | E | 89.5 | Confident | 92.4 | Very high | 93 Ų | 93 | 57.2 Ų | 57.2 | 44% | 0.435 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -80.3 | -10.5 | 177.9 | -66.8 | -173.8 | 77.9 | 0 | 0 | 113.2 | Y159 K162 K163 P164 S168 P169 | Y159-E166 WeakPolarHBondContact CE1-O 3.42Å; K162-E166 HydrophobicContact CB-CB 4.19Å; K162-E166 HydrophobicContact CD-CB 4.05Å; K162-E166 IonicContact NZ-OE1 2.95Å; K162-E166 PolarHBondContact NZ-OE1 2.84Å; K163-E166 PolarHBondContact O-N 3.02Å; K163-E166 VanDerWaalsContact O-N 3.08Å; P164-E166 VanDerWaalsContact C-N 3.32Å; P164-E166 PolarHBondContact O-N 2.94Å; E166-S168 VanDerWaalsContact C-N 3.32Å; E166-P169 WeakPolarHBondContact O-CD 3.45Å |
| 167 | R | 93.3 | Very high | 92.3 | Very high | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.015 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -85.5 | -2.1 | -176.4 | -65.6 | 174.8 | 75.3 | 134.2 | 5.2 | 113.5 | Y159 E160 K162 K163 P164 E165 P169 L170 V171 L210 T214 | Y159-R167 PolarHBondContact O-NH1 2.95Å; E160-R167 PolarHBondContact O-NH1 3.48Å; K162-R167 HydrophobicContact CB-CG 4.22Å; K162-R167 WeakPolarHBondContact O-CD 3.26Å; K163-R167 WeakPolarHBondContact O-CG 3.47Å; K163-R167 PolarHBondContact O-N 3.48Å; P164-R167 WeakPolarHBondContact O-CB 3.36Å; P164-R167 PolarHBondContact O-N 3.35Å; P164-R167 VanDerWaalsContact O-N 3.15Å; E165-R167 VanDerWaalsContact C-N 3.3Å; E165-R167 PolarHBondContact O-N 2.9Å; R167-P169 VanDerWaalsContact C-N 3.32Å; R167-L170 WeakPolarHBondContact O-CA 3.34Å; R167-L170 WeakPolarHBondContact O-CB 3.43Å; R167-L170 PolarHBondContact O-N 3.48Å; R167-V171 HydrophobicContact CB-CG2 4.5Å; R167-V171 WeakPolarHBondContact O-CG2 3.25Å; R167-V171 PolarHBondContact O-N 3.36Å; R167-L210 PolarHBondContact NH2-O 2.85Å; R167-T214 PolarHBondContact NH1-OG1 2.98Å |
| 168 | S | 92.9 | Very high | 92.4 | Very high | 79 Ų | 79 | 53.6 Ų | 53.6 | 55% | 0.552 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -51.2 | -39.1 | -179.7 | 62 | 0 | 0 | 0 | 0 | 114.7 | E166 V171 A172 | E166-S168 VanDerWaalsContact C-N 3.32Å; S168-V171 PolarHBondContact O-N 3.3Å; S168-A172 PolarHBondContact O-N 2.98Å |
| 169 | P | 93.4 | Very high | 92.4 | Very high | 27 Ų | 27 | 55.4 Ų | 55.4 | 18% | 0.175 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.1 | -39.9 | 176.5 | -17.9 | 34 | 0 | 0 | 0 | 112.4 | Y122 P123 Y159 E166 R167 A172 A173 | Y122-P169 HydrophobicContact CE1-CB 3.88Å; Y122-P169 PolarHBondContact OH-O 3.36Å; Y122-P169 VanDerWaalsContact OH-O 3.13Å; P123-P169 HydrophobicContact CB-CB 4.04Å; P123-P169 HydrophobicContact CB-CG 4.48Å; P123-P169 HydrophobicContact CG-CB 3.86Å; P123-P169 HydrophobicContact CG-CG 3.77Å; Y159-P169 HydrophobicContact CE1-CB 4.46Å; Y159-P169 HydrophobicContact CE1-CG 4.29Å; E166-P169 WeakPolarHBondContact O-CD 3.45Å; R167-P169 VanDerWaalsContact C-N 3.32Å; P169-A172 PolarHBondContact O-N 3Å; P169-A173 PolarHBondContact O-N 3.04Å; P169-A173 VanDerWaalsContact O-N 3.1Å |
| 170 | L | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63 | -45.9 | 175.2 | 172 | 65.7 | 0 | 0 | 0 | 110.7 | V156 Y159 R167 A172 A173 M174 L210 | V156-L170 HydrophobicContact CB-CD1 4.31Å; V156-L170 HydrophobicContact CG1-CD1 4.46Å; V156-L170 HydrophobicContact CG1-CD2 4.37Å; V156-L170 HydrophobicContact CG2-CD1 3.92Å; Y159-L170 HydrophobicContact CD1-CB 4.07Å; Y159-L170 HydrophobicContact CD2-CB 3.99Å; Y159-L170 HydrophobicContact CE2-CB 4.48Å; Y159-L170 HydrophobicContact CG-CB 3.78Å; Y159-L170 HydrophobicContact CG-CD2 4.21Å; Y159-L170 HydrophobicContact CG-CG 4.49Å; R167-L170 WeakPolarHBondContact O-CA 3.34Å; R167-L170 WeakPolarHBondContact O-CB 3.43Å; R167-L170 PolarHBondContact O-N 3.48Å; L170-A172 VanDerWaalsContact C-N 3.31Å; L170-A172 PolarHBondContact O-N 3.47Å; L170-A173 PolarHBondContact O-N 3.34Å; L170-M174 HydrophobicContact CD1-CG 3.65Å; L170-M174 HydrophobicContact CD1-SD 4.42Å; L170-M174 HydrophobicContact CG-CG 4.18Å; L170-M174 WeakPolarHBondContact O-CB 3.44Å; L170-M174 WeakPolarHBondContact O-CG 3.45Å; L170-M174 PolarHBondContact O-N 2.79Å; L170-L210 HydrophobicContact CD2-CD1 3.91Å; L170-L210 HydrophobicContact CG-CD1 4.33Å |
| 171 | V | 94.7 | Very high | 92.6 | Very high | 24 Ų | 24 | 55.8 Ų | 55.8 | 15% | 0.145 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.6 | -45.7 | 179.8 | 172.6 | 0 | 0 | 0 | 0 | 110.3 | R167 S168 A173 M174 Q175 P216 L219 | R167-V171 HydrophobicContact CB-CG2 4.5Å; R167-V171 WeakPolarHBondContact O-CG2 3.25Å; R167-V171 PolarHBondContact O-N 3.36Å; S168-V171 PolarHBondContact O-N 3.3Å; V171-A173 PolarHBondContact O-N 2.65Å; V171-M174 PolarHBondContact O-N 2.84Å; V171-Q175 PolarHBondContact O-N 3.39Å; V171-P216 HydrophobicContact CG2-CB 4.29Å; V171-L219 HydrophobicContact CB-CD1 4.48Å; V171-L219 HydrophobicContact CG1-CD1 4.16Å; V171-L219 HydrophobicContact CG1-CD2 4.38Å; V171-L219 HydrophobicContact CG1-CG 4.1Å; V171-L219 HydrophobicContact CG2-CD1 4.46Å |
| 172 | A | 94.1 | Very high | 92.9 | Very high | 68 Ų | 68 | 49.3 Ų | 49.3 | 56% | 0.562 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -59.9 | -42.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S168 P169 L170 | S168-A172 PolarHBondContact O-N 2.98Å; P169-A172 PolarHBondContact O-N 3Å; L170-A172 VanDerWaalsContact C-N 3.31Å; L170-A172 PolarHBondContact O-N 3.47Å |
| 173 | A | 95 | Very high | 93.2 | Very high | 5 Ų | 5 | 50.4 Ų | 50.4 | 4% | 0.041 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66 | -44.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | V130 L155 P169 L170 V171 Q175 H176 F177 | V130-A173 HydrophobicContact CG1-CB 4.44Å; V130-A173 HydrophobicContact CG2-CB 4.23Å; L155-A173 HydrophobicContact CD2-CB 4.3Å; P169-A173 PolarHBondContact O-N 3.04Å; P169-A173 VanDerWaalsContact O-N 3.1Å; L170-A173 PolarHBondContact O-N 3.34Å; V171-A173 PolarHBondContact O-N 2.65Å; A173-Q175 VanDerWaalsContact C-N 3.32Å; A173-Q175 PolarHBondContact O-N 3.37Å; A173-H176 PolarHBondContact O-N 3.03Å; A173-H176 VanDerWaalsContact O-N 3.13Å; A173-F177 HydrophobicContact CB-CD2 4.3Å; A173-F177 HydrophobicContact CB-CE2 4.1Å; A173-F177 VanDerWaalsContact O-CD2 3.23Å; A173-F177 WeakPolarHBondContact O-CD2 3.29Å; A173-F177 PolarHBondContact O-N 3.37Å; A173-F177 VanDerWaalsContact O-N 3.11Å |
| 174 | M | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -72.4 | -23.6 | -177.9 | -68.2 | -51.8 | -64.6 | 0 | 0 | 113.2 | L152 V156 L170 V171 H176 F177 L178 L181 I206 L210 L219 | L152-M174 HydrophobicContact CD1-SD 4.01Å; V156-M174 HydrophobicContact CG2-SD 3.86Å; L170-M174 HydrophobicContact CD1-CG 3.65Å; L170-M174 HydrophobicContact CD1-SD 4.42Å; L170-M174 HydrophobicContact CG-CG 4.18Å; L170-M174 WeakPolarHBondContact O-CB 3.44Å; L170-M174 WeakPolarHBondContact O-CG 3.45Å; L170-M174 PolarHBondContact O-N 2.79Å; V171-M174 PolarHBondContact O-N 2.84Å; M174-H176 PolarHBondContact O-N 2.91Å; M174-F177 HydrophobicContact CE-CB 4.39Å; M174-F177 PolarHBondContact O-N 2.75Å; M174-F177 HydrophobicContact SD-CB 4.18Å; M174-F177 HydrophobicContact SD-CD2 4.24Å; M174-L178 HydrophobicContact CE-CB 4.44Å; M174-L178 HydrophobicContact CE-CD1 4.38Å; M174-L178 WeakPolarHBondContact O-CB 3.23Å; M174-L178 PolarHBondContact O-N 2.94Å; M174-L181 HydrophobicContact CE-CD1 3.94Å; M174-I206 HydrophobicContact CE-CG2 4.19Å; M174-L210 HydrophobicContact CB-CD2 4.47Å; M174-L210 HydrophobicContact CE-CD2 4.02Å; M174-L210 HydrophobicContact CG-CD1 4.07Å; M174-L210 HydrophobicContact CG-CD2 4.35Å; M174-L219 HydrophobicContact CB-CD1 3.66Å; M174-L219 HydrophobicContact CB-CD2 4.48Å |
| 175 | Q | 94.8 | Very high | 94 | Very high | 109 Ų | 109 | 42.1 Ų | 42.1 | 51% | 0.509 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -55.4 | -34.4 | 168.9 | -170.2 | 71.5 | 38.9 | 0 | 0 | 111.6 | V171 A173 L219 | V171-Q175 PolarHBondContact O-N 3.39Å; A173-Q175 VanDerWaalsContact C-N 3.32Å; A173-Q175 PolarHBondContact O-N 3.37Å; Q175-L219 VanDerWaalsContact CA-CD2 3.46Å; Q175-L219 HydrophobicContact CB-CD2 3.9Å |
| 176 | H | 92.8 | Very high | 94.4 | Very high | 91 Ų | 91 | 39.7 Ų | 39.7 | 42% | 0.421 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -85.6 | -43.9 | 176.2 | -177.1 | 60.5 | 0 | 0 | 0 | 112.7 | Q138 A173 M174 V180 | Q138-H176 PolarHBondContact NE2-CE1 3.45Å; Q138-H176 PolarHBondContact NE2-NE2 3.17Å; A173-H176 PolarHBondContact O-N 3.03Å; A173-H176 VanDerWaalsContact O-N 3.13Å; M174-H176 PolarHBondContact O-N 2.91Å; H176-V180 WeakPolarHBondContact O-CG2 3.42Å |
| 177 | F | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -80.2 | -33.1 | -172.4 | -62.4 | -44.4 | 0 | 0 | 0 | 114.5 | V130 I133 L137 L152 A173 M174 V180 L181 | V130-F177 HydrophobicContact CB-CZ 4.33Å; V130-F177 HydrophobicContact CG1-CE2 3.89Å; V130-F177 HydrophobicContact CG1-CZ 3.6Å; V130-F177 WeakPolarHBondContact O-CZ 3.48Å; I133-F177 HydrophobicContact CB-CE1 4.15Å; I133-F177 HydrophobicContact CB-CE2 4.37Å; I133-F177 HydrophobicContact CB-CZ 3.72Å; I133-F177 HydrophobicContact CG2-CD1 4.15Å; I133-F177 HydrophobicContact CG2-CD2 4.45Å; I133-F177 HydrophobicContact CG2-CE1 3.62Å; I133-F177 HydrophobicContact CG2-CE2 3.93Å; I133-F177 HydrophobicContact CG2-CZ 3.48Å; I133-F177 VanDerWaalsContact CG2-CZ 3.48Å; L137-F177 HydrophobicContact CD2-CD1 4.32Å; L152-F177 HydrophobicContact CD1-CD2 3.58Å; L152-F177 HydrophobicContact CD1-CE2 3.96Å; L152-F177 HydrophobicContact CD1-CG 4.31Å; L152-F177 HydrophobicContact CD2-CB 4.14Å; L152-F177 HydrophobicContact CD2-CD2 4.33Å; L152-F177 HydrophobicContact CD2-CG 4.25Å; A173-F177 HydrophobicContact CB-CD2 4.3Å; A173-F177 HydrophobicContact CB-CE2 4.1Å; A173-F177 VanDerWaalsContact O-CD2 3.23Å; A173-F177 WeakPolarHBondContact O-CD2 3.29Å; A173-F177 PolarHBondContact O-N 3.37Å; A173-F177 VanDerWaalsContact O-N 3.11Å; M174-F177 HydrophobicContact CE-CB 4.39Å; M174-F177 PolarHBondContact O-N 2.75Å; M174-F177 HydrophobicContact SD-CB 4.18Å; M174-F177 HydrophobicContact SD-CD2 4.24Å; F177-V180 PolarHBondContact O-N 3.25Å; F177-V180 VanDerWaalsContact O-N 3.07Å; F177-L181 VanDerWaalsContact O-CG 3.31Å; F177-L181 WeakPolarHBondContact O-CG 3.46Å; F177-L181 PolarHBondContact O-N 2.92Å |
| 178 | L | 95.2 | Very high | 94.6 | Very high | 5 Ų | 5 | 40.5 Ų | 40.5 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.5 | -44 | -173.6 | -170.9 | 70.3 | 0 | 0 | 0 | 113 | M174 V180 L181 K182 F207 L210 L219 I220 W228 | M174-L178 HydrophobicContact CE-CB 4.44Å; M174-L178 HydrophobicContact CE-CD1 4.38Å; M174-L178 WeakPolarHBondContact O-CB 3.23Å; M174-L178 PolarHBondContact O-N 2.94Å; L178-V180 PolarHBondContact O-N 2.98Å; L178-L181 PolarHBondContact O-N 3.23Å; L178-K182 PolarHBondContact O-N 2.84Å; L178-K182 VanDerWaalsContact O-N 3.09Å; L178-F207 HydrophobicContact CD1-CD2 3.82Å; L178-F207 HydrophobicContact CD1-CE2 4.03Å; L178-L210 HydrophobicContact CD1-CD2 4.41Å; L178-L219 HydrophobicContact CD2-CB 4.3Å; L178-I220 HydrophobicContact CD2-CD1 3.59Å; L178-W228 HydrophobicContact CD1-CZ2 3.55Å; L178-W228 HydrophobicContact CG-CZ2 4.11Å |
| 179 | P | 94.4 | Very high | 94.5 | Very high | 60 Ų | 60 | 38.6 Ų | 38.6 | 39% | 0.39 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.5 | -40.2 | 173.2 | -22.4 | 34.5 | 0 | 0 | 0 | 113 | K182 D183 | P179-K182 WeakPolarHBondContact O-CB 3.48Å; P179-K182 PolarHBondContact O-N 2.76Å; P179-D183 PolarHBondContact O-N 3.05Å |
| 180 | V | 94.7 | Very high | 94.4 | Very high | 24 Ų | 24 | 42.4 Ų | 42.4 | 15% | 0.145 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.6 | -41.8 | 179.3 | -177.3 | 0 | 0 | 0 | 0 | 110.9 | L137 Q138 H176 F177 L178 K182 D183 R184 | L137-V180 HydrophobicContact CD2-CB 4.17Å; L137-V180 HydrophobicContact CD2-CG1 3.69Å; L137-V180 HydrophobicContact CG-CG1 3.71Å; Q138-V180 HydrophobicContact CG-CG1 4.25Å; H176-V180 WeakPolarHBondContact O-CG2 3.42Å; F177-V180 PolarHBondContact O-N 3.25Å; F177-V180 VanDerWaalsContact O-N 3.07Å; L178-V180 PolarHBondContact O-N 2.98Å; V180-K182 VanDerWaalsContact C-N 3.33Å; V180-K182 PolarHBondContact O-N 2.68Å; V180-D183 PolarHBondContact O-N 3.3Å; V180-R184 HydrophobicContact CG1-CG 4.35Å; V180-R184 WeakPolarHBondContact O-CB 3.07Å; V180-R184 VanDerWaalsContact O-CG 3.25Å; V180-R184 WeakPolarHBondContact O-CG 3.42Å; V180-R184 PolarHBondContact O-N 3Å |
| 181 | L | 96.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.8 | -44.3 | 175.3 | -70.3 | 177.5 | 0 | 0 | 0 | 111.3 | L137 L149 L152 M174 F177 L178 R184 F185 I203 I206 W228 | L137-L181 HydrophobicContact CD1-CD2 4.45Å; L137-L181 HydrophobicContact CD2-CD2 4.02Å; L149-L181 HydrophobicContact CD2-CD2 3.29Å; L152-L181 HydrophobicContact CD2-CD1 4.01Å; L152-L181 HydrophobicContact CD2-CD2 4.01Å; L152-L181 HydrophobicContact CD2-CG 4.33Å; M174-L181 HydrophobicContact CE-CD1 3.94Å; F177-L181 VanDerWaalsContact O-CG 3.31Å; F177-L181 WeakPolarHBondContact O-CG 3.46Å; F177-L181 PolarHBondContact O-N 2.92Å; L178-L181 PolarHBondContact O-N 3.23Å; L181-R184 PolarHBondContact O-N 3.38Å; L181-F185 WeakPolarHBondContact O-CB 3.28Å; L181-F185 PolarHBondContact O-N 3.32Å; L181-I203 HydrophobicContact CB-CG2 4.04Å; L181-I203 HydrophobicContact CD2-CG1 4.19Å; L181-I203 HydrophobicContact CD2-CG2 4.4Å; L181-I206 HydrophobicContact CD1-CG2 4.03Å; L181-W228 HydrophobicContact CB-CH2 4.2Å; L181-W228 HydrophobicContact CB-CZ2 4.44Å |
| 182 | K | 95.4 | Very high | 93.9 | Very high | 29 Ų | 29 | 48.2 Ų | 48.2 | 13% | 0.126 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.4 | -52.2 | 175.8 | -176.1 | -164.4 | 63.4 | 172.1 | 0 | 111.2 | L178 P179 V180 R184 F185 I186 E227 W228 I231 | L178-K182 PolarHBondContact O-N 2.84Å; L178-K182 VanDerWaalsContact O-N 3.09Å; P179-K182 WeakPolarHBondContact O-CB 3.48Å; P179-K182 PolarHBondContact O-N 2.76Å; V180-K182 VanDerWaalsContact C-N 3.33Å; V180-K182 PolarHBondContact O-N 2.68Å; K182-R184 VanDerWaalsContact C-N 3.31Å; K182-R184 PolarHBondContact O-N 2.91Å; K182-F185 WeakPolarHBondContact O-CB 3.2Å; K182-F185 PolarHBondContact O-N 3.32Å; K182-F185 VanDerWaalsContact O-N 3.1Å; K182-I186 HydrophobicContact CD-CD1 4.46Å; K182-I186 HydrophobicContact CG-CD1 4.03Å; K182-I186 WeakPolarHBondContact O-CG1 3.33Å; K182-I186 PolarHBondContact O-N 3.2Å; K182-E227 HydrophobicContact CD-CB 3.98Å; K182-E227 VanDerWaalsContact CD-OE2 3.23Å; K182-E227 WeakPolarHBondContact CD-OE2 3.22Å; K182-E227 WeakPolarHBondContact CE-OE2 3.5Å; K182-E227 IonicContact NZ-OE1 2.98Å; K182-E227 PolarHBondContact NZ-OE1 3.43Å; K182-E227 IonicContact NZ-OE2 2.72Å; K182-E227 PolarHBondContact NZ-OE2 3.42Å; K182-W228 HydrophobicContact CB-CH2 4.15Å; K182-W228 HydrophobicContact CB-CZ2 3.76Å; K182-I231 HydrophobicContact CG-CD1 3.67Å |
| 183 | D | 94.5 | Very high | 93.7 | Very high | 93 Ų | 93 | 47.2 Ų | 47.2 | 50% | 0.497 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.7 | -40.5 | -177.9 | -70.1 | -11.1 | 0 | 0 | 0 | 111.7 | P179 V180 I186 Q187 | P179-D183 PolarHBondContact O-N 3.05Å; V180-D183 PolarHBondContact O-N 3.3Å; D183-I186 PolarHBondContact O-N 3.44Å; D183-Q187 WeakPolarHBondContact O-CB 3.45Å; D183-Q187 PolarHBondContact O-N 2.85Å |
| 184 | R | 93.5 | Very high | 93.5 | Very high | 37 Ų | 37 | 51 Ų | 51 | 14% | 0.14 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.6 | -40.9 | 173.6 | -71.5 | -68.2 | 179.1 | -118 | 0.1 | 112.2 | L137 Q138 S139 V180 L181 K182 Q187 L188 | L137-R184 PolarHBondContact O-NE 3.4Å; L137-R184 PolarHBondContact O-NH2 3.44Å; Q138-R184 PolarHBondContact O-NH2 3.05Å; S139-R184 PolarHBondContact O-NH2 3.45Å; V180-R184 HydrophobicContact CG1-CG 4.35Å; V180-R184 WeakPolarHBondContact O-CB 3.07Å; V180-R184 VanDerWaalsContact O-CG 3.25Å; V180-R184 WeakPolarHBondContact O-CG 3.42Å; V180-R184 PolarHBondContact O-N 3Å; L181-R184 PolarHBondContact O-N 3.38Å; K182-R184 VanDerWaalsContact C-N 3.31Å; K182-R184 PolarHBondContact O-N 2.91Å; R184-Q187 PolarHBondContact O-N 3.4Å; R184-L188 WeakPolarHBondContact O-CB 3.3Å; R184-L188 VanDerWaalsContact O-CG 3.31Å; R184-L188 WeakPolarHBondContact O-CG 3.21Å; R184-L188 PolarHBondContact O-N 2.78Å |
| 185 | F | 95.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.9 | -49.1 | 175.7 | -156.5 | -69.9 | 0 | 0 | 0 | 110.6 | L181 K182 Q187 L188 L189 Q200 I203 F204 I231 V235 | L181-F185 WeakPolarHBondContact O-CB 3.28Å; L181-F185 PolarHBondContact O-N 3.32Å; K182-F185 WeakPolarHBondContact O-CB 3.2Å; K182-F185 PolarHBondContact O-N 3.32Å; K182-F185 VanDerWaalsContact O-N 3.1Å; F185-Q187 VanDerWaalsContact C-N 3.31Å; F185-Q187 PolarHBondContact O-N 3.34Å; F185-L188 PolarHBondContact O-N 3.11Å; F185-L189 HydrophobicContact CD1-CD2 3.92Å; F185-L189 HydrophobicContact CD1-CG 4.05Å; F185-L189 HydrophobicContact CE1-CD2 3.63Å; F185-L189 HydrophobicContact CE1-CG 4.28Å; F185-L189 WeakPolarHBondContact O-CG 3.25Å; F185-L189 PolarHBondContact O-N 3.2Å; F185-Q200 HydrophobicContact CD1-CG 4.47Å; F185-Q200 HydrophobicContact CD2-CB 4.43Å; F185-Q200 HydrophobicContact CD2-CG 4.49Å; F185-Q200 HydrophobicContact CE1-CB 4.33Å; F185-Q200 HydrophobicContact CE1-CG 4.04Å; F185-Q200 HydrophobicContact CE2-CB 3.7Å; F185-Q200 HydrophobicContact CE2-CG 4.1Å; F185-Q200 VanDerWaalsContact CE2-O 3.3Å; F185-Q200 WeakPolarHBondContact CE2-O 3.41Å; F185-Q200 HydrophobicContact CZ-CB 3.61Å; F185-Q200 HydrophobicContact CZ-CG 3.83Å; F185-I203 HydrophobicContact CB-CD1 4.17Å; F185-I203 HydrophobicContact CD2-CB 3.83Å; F185-I203 HydrophobicContact CD2-CD1 3.87Å; F185-I203 HydrophobicContact CD2-CG1 4.44Å; F185-I203 HydrophobicContact CD2-CG2 3.75Å; F185-I203 HydrophobicContact CE2-CB 4.26Å; F185-I203 HydrophobicContact CE2-CG2 4.45Å; F185-I203 HydrophobicContact CG-CD1 4.45Å; F185-F204 HydrophobicContact CD2-CD1 4.39Å; F185-F204 HydrophobicContact CD2-CE1 4.1Å; F185-F204 HydrophobicContact CE1-CE1 4.39Å; F185-F204 AromaticContact CE1-CZ 3.98Å; F185-F204 HydrophobicContact CE1-CZ 3.98Å; F185-F204 AromaticContact CE2-CD1 3.66Å; F185-F204 HydrophobicContact CE2-CD1 3.66Å; F185-F204 HydrophobicContact CE2-CD2 4.14Å; F185-F204 AromaticContact CE2-CE1 3.36Å; F185-F204 HydrophobicContact CE2-CE1 3.36Å; F185-F204 AromaticContact CE2-CE2 3.88Å; F185-F204 HydrophobicContact CE2-CE2 3.88Å; F185-F204 HydrophobicContact CE2-CG 4.05Å; F185-F204 AromaticContact CE2-CZ 3.5Å; F185-F204 HydrophobicContact CE2-CZ 3.5Å; F185-F204 VanDerWaalsContact CE2-CZ 3.5Å; F185-F204 HydrophobicContact CZ-CD1 4.23Å; F185-F204 HydrophobicContact CZ-CD2 4.21Å; F185-F204 AromaticContact CZ-CE1 3.57Å; F185-F204 HydrophobicContact CZ-CE1 3.57Å; F185-F204 AromaticContact CZ-CE2 3.53Å; F185-F204 HydrophobicContact CZ-CE2 3.53Å; F185-F204 AromaticContact CZ-CZ 3.18Å; F185-F204 HydrophobicContact CZ-CZ 3.18Å; F185-I231 HydrophobicContact CD1-CG2 3.36Å; F185-I231 HydrophobicContact CD2-CG2 4.4Å; F185-I231 HydrophobicContact CE1-CG2 3.42Å; F185-I231 VanDerWaalsContact CE1-CG2 3.42Å; F185-I231 HydrophobicContact CE2-CG2 4.43Å; F185-I231 HydrophobicContact CG-CG2 3.91Å; F185-I231 HydrophobicContact CZ-CG2 3.99Å; F185-V235 HydrophobicContact CE1-CG2 3.66Å; F185-V235 HydrophobicContact CZ-CG2 3.71Å |
| 186 | I | 94.7 | Very high | 93.3 | Very high | 84 Ų | 84 | 50.6 Ų | 50.6 | 43% | 0.431 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.4 | -43.1 | 179.2 | -66.8 | 168.3 | 0 | 0 | 0 | 110.8 | K182 D183 L188 L189 I231 | K182-I186 HydrophobicContact CD-CD1 4.46Å; K182-I186 HydrophobicContact CG-CD1 4.03Å; K182-I186 WeakPolarHBondContact O-CG1 3.33Å; K182-I186 PolarHBondContact O-N 3.2Å; D183-I186 PolarHBondContact O-N 3.44Å; I186-L188 VanDerWaalsContact C-N 3.26Å; I186-L188 PolarHBondContact O-N 3.09Å; I186-L189 WeakPolarHBondContact O-CB 3.25Å; I186-L189 PolarHBondContact O-N 3.23Å; I186-I231 HydrophobicContact CD1-CD1 4.36Å; I186-I231 HydrophobicContact CG1-CD1 4.03Å; I186-I231 HydrophobicContact CG1-CG1 4.38Å |
| 187 | Q | 93 | Very high | 93.4 | Very high | 102 Ų | 102 | 46.2 Ų | 46.2 | 48% | 0.477 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.2 | -37.3 | 175.7 | -178.1 | -179.5 | -0.7 | 0 | 0 | 112.5 | D183 R184 F185 | D183-Q187 WeakPolarHBondContact O-CB 3.45Å; D183-Q187 PolarHBondContact O-N 2.85Å; R184-Q187 PolarHBondContact O-N 3.4Å; F185-Q187 VanDerWaalsContact C-N 3.31Å; F185-Q187 PolarHBondContact O-N 3.34Å |
| 188 | L | 93.7 | Very high | 93.3 | Very high | 12 Ų | 12 | 48.5 Ų | 48.5 | 6% | 0.063 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -82.2 | -17 | -178 | -72.3 | 167.7 | 0 | 0 | 0 | 113.8 | W145 R184 F185 I186 S190 D191 S196 I199 Q200 | W145-L188 HydrophobicContact CE3-CD1 4.15Å; W145-L188 HydrophobicContact CE3-CD2 4.3Å; W145-L188 HydrophobicContact CZ3-CD1 4.13Å; W145-L188 HydrophobicContact CZ3-CD2 3.78Å; W145-L188 HydrophobicContact CZ3-CG 4.02Å; R184-L188 WeakPolarHBondContact O-CB 3.3Å; R184-L188 VanDerWaalsContact O-CG 3.31Å; R184-L188 WeakPolarHBondContact O-CG 3.21Å; R184-L188 PolarHBondContact O-N 2.78Å; F185-L188 PolarHBondContact O-N 3.11Å; I186-L188 VanDerWaalsContact C-N 3.26Å; I186-L188 PolarHBondContact O-N 3.09Å; L188-S190 PolarHBondContact O-N 3.37Å; L188-S190 VanDerWaalsContact O-N 3.11Å; L188-D191 PolarHBondContact O-N 2.7Å; L188-S196 PolarHBondContact O-OG 3.39Å; L188-I199 HydrophobicContact CD1-CB 3.96Å; L188-I199 HydrophobicContact CD1-CG2 3.3Å; L188-Q200 HydrophobicContact CB-CG 4.06Å; L188-Q200 PolarHBondContact O-NE2 2.97Å; L188-Q200 VanDerWaalsContact O-NE2 3.13Å |
| 189 | L | 91.6 | Very high | 93.4 | Very high | 40 Ų | 40 | 48.5 Ų | 48.5 | 21% | 0.209 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -35.6 | -175.5 | -81.1 | 174.3 | 0 | 0 | 0 | 113.6 | F185 I186 Q192 T234 V235 | F185-L189 HydrophobicContact CD1-CD2 3.92Å; F185-L189 HydrophobicContact CD1-CG 4.05Å; F185-L189 HydrophobicContact CE1-CD2 3.63Å; F185-L189 HydrophobicContact CE1-CG 4.28Å; F185-L189 WeakPolarHBondContact O-CG 3.25Å; F185-L189 PolarHBondContact O-N 3.2Å; I186-L189 WeakPolarHBondContact O-CB 3.25Å; I186-L189 PolarHBondContact O-N 3.23Å; L189-Q192 PolarHBondContact O-NE2 3.28Å; L189-T234 HydrophobicContact CD2-CG2 4.2Å; L189-V235 HydrophobicContact CD2-CG2 4.3Å |
| 190 | S | 90.6 | Very high | 93.5 | Very high | 107 Ų | 107 | 45.6 Ų | 45.6 | 75% | 0.748 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -21.7 | 179.5 | 54.4 | 0 | 0 | 0 | 0 | 114 | L188 | L188-S190 PolarHBondContact O-N 3.37Å; L188-S190 VanDerWaalsContact O-N 3.11Å |
| 191 | D | 91.7 | Very high | 93.6 | Very high | 72 Ų | 72 | 45.6 Ų | 45.6 | 39% | 0.385 | 24% | 0.241 | S | C | . | . | trans | -91 | 112.6 | -179.8 | -177.7 | 3.6 | 0 | 0 | 0 | 110.2 | L188 S193 S196 | L188-D191 PolarHBondContact O-N 2.7Å; D191-S193 VanDerWaalsContact CG-OG 3.26Å; D191-S193 WeakPolarHBondContact OD1-CB 3.41Å; D191-S193 PolarHBondContact OD1-N 3.24Å; D191-S193 PolarHBondContact OD1-OG 3.33Å; D191-S193 PolarHBondContact OD2-OG 3.35Å; D191-S193 VanDerWaalsContact OD2-OG 3.05Å; D191-S196 VanDerWaalsContact O-CB 3.28Å; D191-S196 WeakPolarHBondContact O-CB 3.33Å; D191-S196 PolarHBondContact O-OG 3.4Å; D191-S196 WeakPolarHBondContact OD2-CB 3.46Å | ||
| 192 | Q | 87.2 | Confident | 93.7 | Very high | 74 Ų | 74 | 45.7 Ų | 45.7 | 35% | 0.346 | 24% | 0.241 | S | C | . | . | trans | -92.6 | 10.1 | 179.5 | -57.2 | -53.9 | -45 | 0 | 0 | 113.4 | L189 W257 | L189-Q192 PolarHBondContact O-NE2 3.28Å; Q192-W257 WeakPolarHBondContact O-CZ2 3.46Å | ||
| 193 | S | 91.5 | Very high | 93.8 | Very high | 47 Ų | 47 | 44.3 Ų | 44.3 | 33% | 0.329 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -61.9 | 149.7 | 174.7 | 67.4 | 0 | 0 | 0 | 0 | 111.8 | D191 Q195 S196 V197 | D191-S193 VanDerWaalsContact CG-OG 3.26Å; D191-S193 WeakPolarHBondContact OD1-CB 3.41Å; D191-S193 PolarHBondContact OD1-N 3.24Å; D191-S193 PolarHBondContact OD1-OG 3.33Å; D191-S193 PolarHBondContact OD2-OG 3.35Å; D191-S193 VanDerWaalsContact OD2-OG 3.05Å; S193-Q195 VanDerWaalsContact C-N 3.26Å; S193-Q195 PolarHBondContact O-N 3.3Å; S193-S196 WeakPolarHBondContact O-CB 3.28Å; S193-S196 PolarHBondContact O-N 3.08Å; S193-S196 VanDerWaalsContact O-N 3.08Å; S193-S196 WeakPolarHBondContact OG-CB 3.19Å; S193-S196 PolarHBondContact OG-N 3.28Å; S193-V197 WeakPolarHBondContact O-CG2 3.49Å; S193-V197 PolarHBondContact O-N 3.2Å |
| 194 | D | 90.3 | Very high | 94 | Very high | 83 Ų | 83 | 39.9 Ų | 39.9 | 44% | 0.444 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -50.2 | -47.5 | 177.1 | -178.2 | -90.1 | 0 | 0 | 0 | 112 | S196 V197 L198 P256 W257 | D194-S196 PolarHBondContact O-N 3.09Å; D194-V197 PolarHBondContact O-N 3.3Å; D194-L198 WeakPolarHBondContact O-CB 3.39Å; D194-L198 PolarHBondContact O-N 3.43Å; D194-P256 WeakPolarHBondContact OD2-CD 3.48Å; D194-P256 VanDerWaalsContact OD2-CG 3.27Å; D194-P256 WeakPolarHBondContact OD2-CG 3.29Å; D194-W257 HydrophobicContact CB-CH2 4.14Å |
| 195 | Q | 91.5 | Very high | 94.2 | Very high | 99 Ų | 99 | 40.2 Ų | 40.2 | 46% | 0.463 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.9 | -43.5 | 178.2 | -173.8 | 179.8 | -0.8 | 0 | 0 | 112.7 | S193 L198 I199 | S193-Q195 VanDerWaalsContact C-N 3.26Å; S193-Q195 PolarHBondContact O-N 3.3Å; Q195-L198 PolarHBondContact O-N 2.81Å; Q195-I199 HydrophobicContact CG-CD1 4.33Å; Q195-I199 WeakPolarHBondContact O-CG1 3.49Å; Q195-I199 PolarHBondContact O-N 3.19Å; Q195-I199 VanDerWaalsContact O-N 3.11Å |
| 196 | S | 94.6 | Very high | 94.3 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.014 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.4 | -45.2 | 176.9 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | L188 D191 S193 D194 L198 I199 Q200 | L188-S196 PolarHBondContact O-OG 3.39Å; D191-S196 VanDerWaalsContact O-CB 3.28Å; D191-S196 WeakPolarHBondContact O-CB 3.33Å; D191-S196 PolarHBondContact O-OG 3.4Å; D191-S196 WeakPolarHBondContact OD2-CB 3.46Å; S193-S196 WeakPolarHBondContact O-CB 3.28Å; S193-S196 PolarHBondContact O-N 3.08Å; S193-S196 VanDerWaalsContact O-N 3.08Å; S193-S196 WeakPolarHBondContact OG-CB 3.19Å; S193-S196 PolarHBondContact OG-N 3.28Å; D194-S196 PolarHBondContact O-N 3.09Å; S196-L198 VanDerWaalsContact C-N 3.35Å; S196-L198 PolarHBondContact O-N 3.12Å; S196-I199 WeakPolarHBondContact O-CB 3.33Å; S196-I199 PolarHBondContact O-N 3.03Å; S196-Q200 WeakPolarHBondContact O-CG 3.43Å; S196-Q200 PolarHBondContact O-N 3.42Å; S196-Q200 PolarHBondContact OG-NE2 2.72Å |
| 197 | V | 95.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70.6 | -33.3 | -178.7 | -178.4 | 0 | 0 | 0 | 0 | 111.6 | S193 D194 I199 Q200 K201 P256 W257 C260 | S193-V197 WeakPolarHBondContact O-CG2 3.49Å; S193-V197 PolarHBondContact O-N 3.2Å; D194-V197 PolarHBondContact O-N 3.3Å; V197-I199 VanDerWaalsContact C-N 3.32Å; V197-I199 PolarHBondContact O-N 2.69Å; V197-Q200 PolarHBondContact O-N 3.42Å; V197-K201 WeakPolarHBondContact O-CB 2.96Å; V197-K201 PolarHBondContact O-N 2.84Å; V197-P256 HydrophobicContact CB-CB 4.18Å; V197-P256 HydrophobicContact CG1-CB 3.9Å; V197-P256 WeakPolarHBondContact CG1-O 3.5Å; V197-W257 HydrophobicContact CG1-CG 4.17Å; V197-C260 HydrophobicContact CG1-CB 3.88Å |
| 198 | L | 94 | Very high | 94.6 | Very high | 48 Ų | 48 | 31.9 Ų | 31.9 | 25% | 0.251 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -62.2 | -40 | 172.4 | -173.9 | 62.6 | 0 | 0 | 0 | 111.9 | L146 D194 Q195 S196 Q202 | L146-L198 HydrophobicContact CD1-CD2 4.34Å; L146-L198 HydrophobicContact CD1-CG 4.11Å; L146-L198 HydrophobicContact CD2-CD2 3.59Å; L146-L198 HydrophobicContact CD2-CG 4.27Å; D194-L198 WeakPolarHBondContact O-CB 3.39Å; D194-L198 PolarHBondContact O-N 3.43Å; Q195-L198 PolarHBondContact O-N 2.81Å; S196-L198 VanDerWaalsContact C-N 3.35Å; S196-L198 PolarHBondContact O-N 3.12Å; L198-Q202 WeakPolarHBondContact O-CB 3.19Å; L198-Q202 PolarHBondContact O-N 3.37Å |
| 199 | I | 96.6 | Very high | 94.7 | Very high | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.1 | -47.8 | 174.3 | -67.9 | 165.9 | 0 | 0 | 0 | 110.6 | W145 L146 L149 L188 Q195 S196 V197 K201 Q202 I203 | W145-I199 HydrophobicContact CB-CD1 4.07Å; W145-I199 HydrophobicContact CE3-CD1 4.24Å; L146-I199 HydrophobicContact CB-CG1 4.22Å; L149-I199 HydrophobicContact CD1-CG2 3.58Å; L188-I199 HydrophobicContact CD1-CB 3.96Å; L188-I199 HydrophobicContact CD1-CG2 3.3Å; Q195-I199 HydrophobicContact CG-CD1 4.33Å; Q195-I199 WeakPolarHBondContact O-CG1 3.49Å; Q195-I199 PolarHBondContact O-N 3.19Å; Q195-I199 VanDerWaalsContact O-N 3.11Å; S196-I199 WeakPolarHBondContact O-CB 3.33Å; S196-I199 PolarHBondContact O-N 3.03Å; V197-I199 VanDerWaalsContact C-N 3.32Å; V197-I199 PolarHBondContact O-N 2.69Å; I199-K201 VanDerWaalsContact C-N 3.33Å; I199-K201 PolarHBondContact O-N 2.9Å; I199-Q202 PolarHBondContact O-N 3.17Å; I199-I203 HydrophobicContact CG2-CD1 4.24Å; I199-I203 WeakPolarHBondContact O-CG1 3.2Å; I199-I203 PolarHBondContact O-N 2.62Å |
| 200 | Q | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -53.9 | -49.5 | 174.7 | -71.5 | 167.8 | 48.1 | 0 | 0 | 111 | F185 L188 S196 V197 Q202 I203 F204 | F185-Q200 HydrophobicContact CD1-CG 4.47Å; F185-Q200 HydrophobicContact CD2-CB 4.43Å; F185-Q200 HydrophobicContact CD2-CG 4.49Å; F185-Q200 HydrophobicContact CE1-CB 4.33Å; F185-Q200 HydrophobicContact CE1-CG 4.04Å; F185-Q200 HydrophobicContact CE2-CB 3.7Å; F185-Q200 HydrophobicContact CE2-CG 4.1Å; F185-Q200 VanDerWaalsContact CE2-O 3.3Å; F185-Q200 WeakPolarHBondContact CE2-O 3.41Å; F185-Q200 HydrophobicContact CZ-CB 3.61Å; F185-Q200 HydrophobicContact CZ-CG 3.83Å; L188-Q200 HydrophobicContact CB-CG 4.06Å; L188-Q200 PolarHBondContact O-NE2 2.97Å; L188-Q200 VanDerWaalsContact O-NE2 3.13Å; S196-Q200 WeakPolarHBondContact O-CG 3.43Å; S196-Q200 PolarHBondContact O-N 3.42Å; S196-Q200 PolarHBondContact OG-NE2 2.72Å; V197-Q200 PolarHBondContact O-N 3.42Å; Q200-Q202 VanDerWaalsContact C-N 3.26Å; Q200-Q202 PolarHBondContact O-N 3.34Å; Q200-I203 PolarHBondContact O-N 3.08Å; Q200-I203 VanDerWaalsContact O-N 3.16Å; Q200-F204 PolarHBondContact O-N 2.98Å; Q200-F204 VanDerWaalsContact O-N 3.1Å |
| 201 | K | 96.8 | Very high | 95.1 | Very high | 24 Ų | 24 | 24.4 Ų | 24.4 | 10% | 0.104 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -55.8 | -41.4 | 175.7 | -178.5 | -117.9 | 68.8 | 176.3 | 0 | 111.8 | V197 I199 F204 K205 K259 C260 | V197-K201 WeakPolarHBondContact O-CB 2.96Å; V197-K201 PolarHBondContact O-N 2.84Å; I199-K201 VanDerWaalsContact C-N 3.33Å; I199-K201 PolarHBondContact O-N 2.9Å; K201-F204 PolarHBondContact O-N 2.93Å; K201-K205 PolarHBondContact O-N 3.4Å; K201-K259 HydrophobicContact CD-CB 4.18Å; K201-K259 HydrophobicContact CG-CB 4Å; K201-C260 HydrophobicContact CB-CB 3.99Å |
| 202 | Q | 97.5 | Very high | 95.2 | Very high | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.009 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -70.3 | -35.6 | -178.7 | -169.3 | 58.6 | 30.7 | 0 | 0 | 112 | L146 L149 Y153 L198 I199 Q200 K205 I206 | L146-Q202 HydrophobicContact CD1-CB 4.29Å; L146-Q202 HydrophobicContact CD1-CG 4.43Å; L149-Q202 HydrophobicContact CB-CB 4.43Å; L149-Q202 HydrophobicContact CB-CG 3.71Å; L149-Q202 HydrophobicContact CD1-CB 4.48Å; Y153-Q202 VanDerWaalsContact CB-NE2 3.28Å; L198-Q202 WeakPolarHBondContact O-CB 3.19Å; L198-Q202 PolarHBondContact O-N 3.37Å; I199-Q202 PolarHBondContact O-N 3.17Å; Q200-Q202 VanDerWaalsContact C-N 3.26Å; Q200-Q202 PolarHBondContact O-N 3.34Å; Q202-K205 WeakPolarHBondContact O-CB 3.29Å; Q202-K205 PolarHBondContact O-N 2.98Å; Q202-I206 WeakPolarHBondContact O-CG1 3.49Å; Q202-I206 PolarHBondContact O-N 3.15Å; Q202-I206 VanDerWaalsContact O-N 3.13Å |
| 203 | I | 98.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.6 | -44.6 | 172.5 | -63.3 | 169.6 | 0 | 0 | 0 | 110.6 | L149 L181 F185 I199 Q200 K205 I206 F207 W228 | L149-I203 HydrophobicContact CD1-CD1 4.43Å; L149-I203 HydrophobicContact CD1-CG1 3.82Å; L149-I203 HydrophobicContact CD2-CG1 4.05Å; L181-I203 HydrophobicContact CB-CG2 4.04Å; L181-I203 HydrophobicContact CD2-CG1 4.19Å; L181-I203 HydrophobicContact CD2-CG2 4.4Å; F185-I203 HydrophobicContact CB-CD1 4.17Å; F185-I203 HydrophobicContact CD2-CB 3.83Å; F185-I203 HydrophobicContact CD2-CD1 3.87Å; F185-I203 HydrophobicContact CD2-CG1 4.44Å; F185-I203 HydrophobicContact CD2-CG2 3.75Å; F185-I203 HydrophobicContact CE2-CB 4.26Å; F185-I203 HydrophobicContact CE2-CG2 4.45Å; F185-I203 HydrophobicContact CG-CD1 4.45Å; I199-I203 HydrophobicContact CG2-CD1 4.24Å; I199-I203 WeakPolarHBondContact O-CG1 3.2Å; I199-I203 PolarHBondContact O-N 2.62Å; Q200-I203 PolarHBondContact O-N 3.08Å; Q200-I203 VanDerWaalsContact O-N 3.16Å; I203-K205 PolarHBondContact O-N 3.27Å; I203-I206 WeakPolarHBondContact O-CB 3.19Å; I203-I206 PolarHBondContact O-N 2.64Å; I203-F207 PolarHBondContact O-N 3.21Å; I203-W228 HydrophobicContact CG2-CH2 4.01Å; I203-W228 HydrophobicContact CG2-CZ3 4.29Å |
| 204 | F | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.8 | -37.8 | 175.3 | -72.7 | -22.7 | 0 | 0 | 0 | 113.2 | F185 Q200 K201 I206 F207 Y208 I231 L232 V235 W263 A264 I267 | F185-F204 HydrophobicContact CD2-CD1 4.39Å; F185-F204 HydrophobicContact CD2-CE1 4.1Å; F185-F204 HydrophobicContact CE1-CE1 4.39Å; F185-F204 AromaticContact CE1-CZ 3.98Å; F185-F204 HydrophobicContact CE1-CZ 3.98Å; F185-F204 AromaticContact CE2-CD1 3.66Å; F185-F204 HydrophobicContact CE2-CD1 3.66Å; F185-F204 HydrophobicContact CE2-CD2 4.14Å; F185-F204 AromaticContact CE2-CE1 3.36Å; F185-F204 HydrophobicContact CE2-CE1 3.36Å; F185-F204 AromaticContact CE2-CE2 3.88Å; F185-F204 HydrophobicContact CE2-CE2 3.88Å; F185-F204 HydrophobicContact CE2-CG 4.05Å; F185-F204 AromaticContact CE2-CZ 3.5Å; F185-F204 HydrophobicContact CE2-CZ 3.5Å; F185-F204 VanDerWaalsContact CE2-CZ 3.5Å; F185-F204 HydrophobicContact CZ-CD1 4.23Å; F185-F204 HydrophobicContact CZ-CD2 4.21Å; F185-F204 AromaticContact CZ-CE1 3.57Å; F185-F204 HydrophobicContact CZ-CE1 3.57Å; F185-F204 AromaticContact CZ-CE2 3.53Å; F185-F204 HydrophobicContact CZ-CE2 3.53Å; F185-F204 AromaticContact CZ-CZ 3.18Å; F185-F204 HydrophobicContact CZ-CZ 3.18Å; Q200-F204 PolarHBondContact O-N 2.98Å; Q200-F204 VanDerWaalsContact O-N 3.1Å; K201-F204 PolarHBondContact O-N 2.93Å; F204-I206 VanDerWaalsContact C-N 3.29Å; F204-I206 PolarHBondContact O-N 3.14Å; F204-F207 PolarHBondContact O-N 2.76Å; F204-Y208 WeakPolarHBondContact O-CB 3.44Å; F204-Y208 PolarHBondContact O-N 3.1Å; F204-I231 HydrophobicContact CE1-CG2 3.85Å; F204-I231 HydrophobicContact CZ-CG2 3.88Å; F204-L232 HydrophobicContact CD1-CD2 4.02Å; F204-L232 HydrophobicContact CE1-CD2 3.6Å; F204-L232 HydrophobicContact CE1-CG 4.3Å; F204-L232 HydrophobicContact CE2-CD2 4.3Å; F204-L232 HydrophobicContact CZ-CD2 3.74Å; F204-L232 HydrophobicContact CZ-CG 4.46Å; F204-V235 HydrophobicContact CE2-CB 3.99Å; F204-V235 HydrophobicContact CE2-CG1 3.97Å; F204-V235 HydrophobicContact CE2-CG2 3.82Å; F204-V235 HydrophobicContact CZ-CB 4.24Å; F204-V235 HydrophobicContact CZ-CG2 3.8Å; F204-W263 HydrophobicContact CB-CB 3.84Å; F204-A264 HydrophobicContact CD2-CB 3.98Å; F204-A264 HydrophobicContact CE2-CB 3.56Å; F204-A264 HydrophobicContact CZ-CB 4.19Å; F204-I267 HydrophobicContact CB-CD1 3.85Å; F204-I267 HydrophobicContact CD1-CD1 4.1Å; F204-I267 HydrophobicContact CG-CD1 4.1Å |
| 205 | K | 97.1 | Very high | 95.5 | Very high | 43 Ų | 43 | 16.8 Ų | 16.8 | 19% | 0.187 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -58 | -41.4 | 172.6 | -78.4 | -164.3 | 70 | 177.3 | 0 | 112.8 | Y153 K201 Q202 I203 A209 W263 | Y153-K205 HydrophobicContact CD2-CB 4.26Å; Y153-K205 HydrophobicContact CE2-CB 4.1Å; Y153-K205 WeakPolarHBondContact OH-CE 3.48Å; K201-K205 PolarHBondContact O-N 3.4Å; Q202-K205 WeakPolarHBondContact O-CB 3.29Å; Q202-K205 PolarHBondContact O-N 2.98Å; I203-K205 PolarHBondContact O-N 3.27Å; K205-A209 WeakPolarHBondContact O-CB 3.1Å; K205-A209 PolarHBondContact O-N 3.14Å; K205-W263 HydrophobicContact CD-CZ2 3.85Å; K205-W263 HydrophobicContact CG-CD2 3.73Å; K205-W263 HydrophobicContact CG-CE3 4.38Å; K205-W263 HydrophobicContact CG-CG 4.05Å; K205-W263 HydrophobicContact CG-CH2 4.39Å; K205-W263 HydrophobicContact CG-CZ2 3.75Å |
| 206 | I | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -64.7 | -48 | 176.6 | -65.6 | 159.6 | 0 | 0 | 0 | 110.2 | L149 L152 Y153 V156 M174 L181 Q202 I203 F204 Y208 A209 L210 | L149-I206 HydrophobicContact CB-CD1 4.04Å; L149-I206 HydrophobicContact CD2-CD1 3.61Å; L149-I206 HydrophobicContact CG-CD1 4.42Å; L149-I206 WeakPolarHBondContact O-CD1 3.35Å; L152-I206 HydrophobicContact CB-CD1 4.28Å; L152-I206 HydrophobicContact CD2-CD1 4.16Å; L152-I206 HydrophobicContact CD2-CG2 4.39Å; L152-I206 HydrophobicContact CG-CD1 4.18Å; L152-I206 HydrophobicContact CG-CG2 4.24Å; Y153-I206 HydrophobicContact CD2-CG1 4.08Å; Y153-I206 HydrophobicContact CG-CG1 4.38Å; V156-I206 HydrophobicContact CG2-CG2 3.75Å; M174-I206 HydrophobicContact CE-CG2 4.19Å; L181-I206 HydrophobicContact CD1-CG2 4.03Å; Q202-I206 WeakPolarHBondContact O-CG1 3.49Å; Q202-I206 PolarHBondContact O-N 3.15Å; Q202-I206 VanDerWaalsContact O-N 3.13Å; I203-I206 WeakPolarHBondContact O-CB 3.19Å; I203-I206 PolarHBondContact O-N 2.64Å; F204-I206 VanDerWaalsContact C-N 3.29Å; F204-I206 PolarHBondContact O-N 3.14Å; I206-Y208 VanDerWaalsContact C-N 3.33Å; I206-Y208 PolarHBondContact O-N 3.43Å; I206-A209 PolarHBondContact O-N 3.2Å; I206-L210 WeakPolarHBondContact O-CB 3.45Å; I206-L210 PolarHBondContact O-N 3.39Å |
| 207 | F | 97.5 | Very high | 95.3 | Very high | 2 Ų | 2 | 15.9 Ų | 15.9 | 1% | 0.009 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -60.9 | -43.1 | 179.2 | -171 | -93.1 | 0 | 0 | 0 | 111.8 | L178 I203 F204 L210 V211 I220 W228 I267 | L178-F207 HydrophobicContact CD1-CD2 3.82Å; L178-F207 HydrophobicContact CD1-CE2 4.03Å; I203-F207 PolarHBondContact O-N 3.21Å; F204-F207 PolarHBondContact O-N 2.76Å; F207-L210 WeakPolarHBondContact O-CB 3.44Å; F207-L210 PolarHBondContact O-N 2.81Å; F207-V211 HydrophobicContact CD1-CG2 4.35Å; F207-V211 HydrophobicContact CE1-CG1 4.19Å; F207-V211 HydrophobicContact CE1-CG2 4.22Å; F207-V211 HydrophobicContact CZ-CG1 4.22Å; F207-V211 WeakPolarHBondContact O-CG2 3.46Å; F207-V211 PolarHBondContact O-N 3.37Å; F207-I220 HydrophobicContact CE2-CD1 3.77Å; F207-I220 HydrophobicContact CZ-CD1 4.05Å; F207-W228 HydrophobicContact CD2-CD2 4.07Å; F207-W228 HydrophobicContact CD2-CE3 4.32Å; F207-W228 HydrophobicContact CD2-CH2 4.48Å; F207-W228 HydrophobicContact CD2-CZ2 4.23Å; F207-W228 AromaticContact CE2-CD1 3.86Å; F207-W228 AromaticContact CE2-CD2 3.83Å; F207-W228 HydrophobicContact CE2-CD2 3.83Å; F207-W228 AromaticContact CE2-CE2 3.87Å; F207-W228 HydrophobicContact CE2-CE3 4.45Å; F207-W228 AromaticContact CE2-CG 3.86Å; F207-W228 HydrophobicContact CE2-CG 3.86Å; F207-W228 AromaticContact CE2-NE1 3.87Å; F207-W228 HydrophobicContact CZ-CB 4.35Å; F207-W228 HydrophobicContact CZ-CD2 4.41Å; F207-W228 HydrophobicContact CZ-CG 4.12Å; F207-I267 HydrophobicContact CB-CD1 4.36Å; F207-I267 HydrophobicContact CD1-CD1 3.86Å; F207-I267 HydrophobicContact CD1-CG1 4.16Å; F207-I267 HydrophobicContact CD1-CG2 3.69Å; F207-I267 HydrophobicContact CE1-CG2 3.61Å |
| 208 | Y | 97.2 | Very high | 95 | Very high | 10 Ų | 10 | 23.3 Ų | 23.3 | 4% | 0.039 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.7 | -50.4 | 177.3 | -177.8 | -102.8 | 0 | 0 | 0 | 112.2 | F204 I206 L210 V211 Q212 W263 H266 I267 R270 | F204-Y208 WeakPolarHBondContact O-CB 3.44Å; F204-Y208 PolarHBondContact O-N 3.1Å; I206-Y208 VanDerWaalsContact C-N 3.33Å; I206-Y208 PolarHBondContact O-N 3.43Å; Y208-L210 PolarHBondContact O-N 2.84Å; Y208-V211 PolarHBondContact O-N 2.87Å; Y208-Q212 HydrophobicContact CE1-CB 4.24Å; Y208-Q212 HydrophobicContact CE1-CG 4.24Å; Y208-Q212 HydrophobicContact CE2-CB 4.44Å; Y208-Q212 WeakPolarHBondContact O-CB 3.24Å; Y208-Q212 PolarHBondContact O-N 3.19Å; Y208-Q212 VanDerWaalsContact OH-CD 3.28Å; Y208-Q212 PolarHBondContact OH-OE1 3.49Å; Y208-W263 AromaticContact CD1-CE3 3.97Å; Y208-W263 HydrophobicContact CD1-CE3 3.97Å; Y208-W263 HydrophobicContact CD1-CH2 4.22Å; Y208-W263 AromaticContact CD1-CZ3 3.29Å; Y208-W263 HydrophobicContact CD1-CZ3 3.29Å; Y208-W263 HydrophobicContact CE1-CH2 4.41Å; Y208-W263 AromaticContact CE1-CZ3 3.6Å; Y208-W263 HydrophobicContact CE1-CZ3 3.6Å; Y208-W263 AromaticContact CG-CE3 3.99Å; Y208-W263 HydrophobicContact CG-CE3 3.99Å; Y208-W263 AromaticContact CG-CZ3 3.79Å; Y208-W263 HydrophobicContact CG-CZ3 3.79Å; Y208-H266 HydrophobicContact CD2-CB 4.46Å; Y208-H266 AromaticContact CE1-CE1 3.91Å; Y208-H266 AromaticContact CE1-ND1 3.86Å; Y208-H266 HydrophobicContact CE2-CB 4.25Å; Y208-H266 AromaticContact CE2-CD2 3.97Å; Y208-H266 AromaticContact CE2-CG 3.73Å; Y208-H266 AromaticContact CE2-ND1 3.86Å; Y208-H266 AromaticContact CZ-CE1 3.51Å; Y208-H266 AromaticContact CZ-CG 3.88Å; Y208-H266 AromaticContact CZ-ND1 3.57Å; Y208-H266 AromaticContact CZ-NE2 3.8Å; Y208-H266 PolarHBondContact OH-CE1 3.05Å; Y208-H266 VanDerWaalsContact OH-CE1 3.27Å; Y208-H266 PolarHBondContact OH-NE2 2.66Å; Y208-I267 HydrophobicContact CD2-CG1 3.77Å; Y208-I267 HydrophobicContact CG-CG1 4.21Å; Y208-R270 HydrophobicContact CE2-CB 3.96Å; Y208-R270 HydrophobicContact CE2-CG 4.17Å |
| 209 | A | 95.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.008 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.4 | -28 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y153 V156 K205 I206 | Y153-A209 HydrophobicContact CD2-CB 4.49Å; Y153-A209 HydrophobicContact CE2-CB 3.94Å; V156-A209 HydrophobicContact CG1-CB 3.94Å; K205-A209 WeakPolarHBondContact O-CB 3.1Å; K205-A209 PolarHBondContact O-N 3.14Å; I206-A209 PolarHBondContact O-N 3.2Å |
| 210 | L | 96 | Very high | 94.6 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -67.6 | -36.6 | 174 | 178.2 | 63.3 | 0 | 0 | 0 | 112 | V156 R167 L170 M174 L178 I206 F207 Y208 T214 P216 L219 | V156-L210 HydrophobicContact CG1-CB 3.95Å; R167-L210 PolarHBondContact NH2-O 2.85Å; L170-L210 HydrophobicContact CD2-CD1 3.91Å; L170-L210 HydrophobicContact CG-CD1 4.33Å; M174-L210 HydrophobicContact CB-CD2 4.47Å; M174-L210 HydrophobicContact CE-CD2 4.02Å; M174-L210 HydrophobicContact CG-CD1 4.07Å; M174-L210 HydrophobicContact CG-CD2 4.35Å; L178-L210 HydrophobicContact CD1-CD2 4.41Å; I206-L210 WeakPolarHBondContact O-CB 3.45Å; I206-L210 PolarHBondContact O-N 3.39Å; F207-L210 WeakPolarHBondContact O-CB 3.44Å; F207-L210 PolarHBondContact O-N 2.81Å; Y208-L210 PolarHBondContact O-N 2.84Å; L210-T214 VanDerWaalsContact O-O 3.09Å; L210-P216 HydrophobicContact CD1-CG 4.11Å; L210-P216 HydrophobicContact CG-CG 4.19Å; L210-L219 HydrophobicContact CD2-CD1 4.45Å |
| 211 | V | 94.3 | Very high | 94 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -111.5 | -10.8 | -168.4 | -53 | 0 | 0 | 0 | 0 | 115.1 | F207 Y208 Y213 T214 L215 L271 Y275 | F207-V211 HydrophobicContact CD1-CG2 4.35Å; F207-V211 HydrophobicContact CE1-CG1 4.19Å; F207-V211 HydrophobicContact CE1-CG2 4.22Å; F207-V211 HydrophobicContact CZ-CG1 4.22Å; F207-V211 WeakPolarHBondContact O-CG2 3.46Å; F207-V211 PolarHBondContact O-N 3.37Å; Y208-V211 PolarHBondContact O-N 2.87Å; V211-Y213 PolarHBondContact O-N 3.38Å; V211-T214 WeakPolarHBondContact CA-O 3.37Å; V211-L215 HydrophobicContact CB-CD1 4Å; V211-L215 HydrophobicContact CG1-CD1 3.82Å; V211-L271 HydrophobicContact CG2-CD2 4.36Å; V211-Y275 WeakPolarHBondContact O-CE2 3.46Å; V211-Y275 VanDerWaalsContact O-CZ 3.31Å; V211-Y275 PolarHBondContact O-OH 3.38Å |
| 212 | Q | 93.4 | Very high | 93.3 | Very high | 19 Ų | 19 | 28.9 Ų | 28.9 | 9% | 0.089 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -58.4 | -41.8 | -170.9 | 174.1 | 177.6 | -24.7 | 0 | 0 | 114.1 | E160 Y208 R274 Y275 | E160-Q212 PolarHBondContact OE1-OE1 2.99Å; Y208-Q212 HydrophobicContact CE1-CB 4.24Å; Y208-Q212 HydrophobicContact CE1-CG 4.24Å; Y208-Q212 HydrophobicContact CE2-CB 4.44Å; Y208-Q212 WeakPolarHBondContact O-CB 3.24Å; Y208-Q212 PolarHBondContact O-N 3.19Å; Y208-Q212 VanDerWaalsContact OH-CD 3.28Å; Y208-Q212 PolarHBondContact OH-OE1 3.49Å; Q212-R274 WeakPolarHBondContact O-CD 3.49Å; Q212-R274 PolarHBondContact O-NH1 3.42Å; Q212-Y275 PolarHBondContact O-OH 3.46Å |
| 213 | Y | 91.4 | Very high | 92.6 | Very high | 73 Ų | 73 | 35.5 Ų | 35.5 | 29% | 0.286 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -107.8 | -32.1 | -175.3 | -64.8 | -73.7 | 0 | 0 | 0 | 114.3 | E160 Y161 V211 R274 Y275 | E160-Y213 HydrophobicContact CG-CD2 3.62Å; E160-Y213 HydrophobicContact CG-CE2 3.63Å; E160-Y213 WeakPolarHBondContact O-CD2 3.34Å; Y161-Y213 HydrophobicContact CD1-CD2 4.42Å; Y161-Y213 AromaticContact CD1-CE2 3.89Å; Y161-Y213 HydrophobicContact CD1-CE2 3.89Å; Y161-Y213 HydrophobicContact CE1-CD2 4.43Å; Y161-Y213 HydrophobicContact CE1-CE1 4.41Å; Y161-Y213 AromaticContact CE1-CE2 3.5Å; Y161-Y213 HydrophobicContact CE1-CE2 3.5Å; Y161-Y213 VanDerWaalsContact CE1-CE2 3.5Å; Y161-Y213 AromaticContact CE1-CZ 3.48Å; Y161-Y213 VanDerWaalsContact CE1-CZ 3.48Å; Y161-Y213 VanDerWaalsContact CE1-OH 3.27Å; Y161-Y213 WeakPolarHBondContact CE1-OH 3.49Å; Y161-Y213 AromaticContact CZ-CE2 3.93Å; V211-Y213 PolarHBondContact O-N 3.38Å; Y213-R274 PolarHBondContact O-NE 3.18Å; Y213-R274 PolarHBondContact O-NH2 3.2Å; Y213-Y275 PolarHBondContact O-OH 2.92Å |
| 214 | T | 90.8 | Very high | 92.2 | Very high | 21 Ų | 21 | 37.5 Ų | 37.5 | 13% | 0.129 | 18% | 0.18 | C | C | . | . | trans | -138.7 | 132.1 | 176.6 | -46.8 | 0 | 0 | 0 | 0 | 108.3 | P164 R167 L210 V211 P216 Y275 | P164-T214 HydrophobicContact CB-CG2 4.34Å; P164-T214 HydrophobicContact CG-CG2 3.99Å; R167-T214 PolarHBondContact NH1-OG1 2.98Å; L210-T214 VanDerWaalsContact O-O 3.09Å; V211-T214 WeakPolarHBondContact CA-O 3.37Å; T214-P216 VanDerWaalsContact O-CD 3.24Å; T214-P216 WeakPolarHBondContact O-CD 3.35Å; T214-Y275 WeakPolarHBondContact CA-OH 3.32Å; T214-Y275 PolarHBondContact N-OH 3.33Å; T214-Y275 VanDerWaalsContact N-OH 3.14Å | ||
| 215 | L | 92.4 | Very high | 91.8 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.016 | 18% | 0.18 | C | C | . | . | trans | -97 | 104.8 | 175.4 | 180 | 70.9 | 0 | 0 | 0 | 109.4 | V211 L217 I220 L271 Y275 Y285 F288 | V211-L215 HydrophobicContact CB-CD1 4Å; V211-L215 HydrophobicContact CG1-CD1 3.82Å; L215-L217 HydrophobicContact CD2-CD2 4.05Å; L215-L217 HydrophobicContact CG-CD2 4.42Å; L215-L217 PolarHBondContact O-N 3.22Å; L215-I220 HydrophobicContact CD1-CB 4.07Å; L215-I220 HydrophobicContact CD1-CG1 3.97Å; L215-I220 HydrophobicContact CD1-CG2 4.16Å; L215-L271 HydrophobicContact CD1-CD2 4.12Å; L215-Y275 HydrophobicContact CB-CD1 3.9Å; L215-Y275 HydrophobicContact CB-CD2 4.12Å; L215-Y275 HydrophobicContact CB-CE1 3.73Å; L215-Y275 HydrophobicContact CB-CE2 3.96Å; L215-Y275 HydrophobicContact CB-CG 4.08Å; L215-Y275 HydrophobicContact CD2-CD1 4.38Å; L215-Y275 HydrophobicContact CD2-CD2 4.25Å; L215-Y275 HydrophobicContact CD2-CG 3.98Å; L215-Y285 HydrophobicContact CB-CD1 4.41Å; L215-Y285 HydrophobicContact CB-CE1 3.73Å; L215-Y285 HydrophobicContact CD2-CD1 4.32Å; L215-Y285 HydrophobicContact CD2-CE1 4.38Å; L215-Y285 HydrophobicContact CG-CE1 4.46Å; L215-Y285 PolarHBondContact N-OH 2.86Å; L215-Y285 WeakPolarHBondContact O-CE1 3.22Å; L215-F288 HydrophobicContact CD2-CD1 3.89Å; L215-F288 HydrophobicContact CD2-CD2 3.7Å; L215-F288 HydrophobicContact CD2-CE1 3.69Å; L215-F288 HydrophobicContact CD2-CE2 3.43Å; L215-F288 VanDerWaalsContact CD2-CE2 3.43Å; L215-F288 HydrophobicContact CD2-CG 3.92Å; L215-F288 HydrophobicContact CD2-CZ 3.45Å; L215-F288 VanDerWaalsContact CD2-CZ 3.45Å | ||
| 216 | P | 92.4 | Very high | 91.7 | Very high | 14 Ų | 14 | 38.1 Ų | 38.1 | 9% | 0.091 | 19% | 0.187 | C | C | . | . | trans | -71.6 | 95.2 | -179.5 | 28.1 | -33.9 | 0 | 0 | 0 | 110.8 | V171 L210 T214 E218 L219 I220 | V171-P216 HydrophobicContact CG2-CB 4.29Å; L210-P216 HydrophobicContact CD1-CG 4.11Å; L210-P216 HydrophobicContact CG-CG 4.19Å; T214-P216 VanDerWaalsContact O-CD 3.24Å; T214-P216 WeakPolarHBondContact O-CD 3.35Å; P216-E218 PolarHBondContact O-N 3.34Å; P216-L219 HydrophobicContact CB-CB 4.31Å; P216-L219 HydrophobicContact CB-CD1 3.93Å; P216-L219 HydrophobicContact CB-CG 4.23Å; P216-L219 HydrophobicContact CG-CB 4.18Å; P216-L219 HydrophobicContact CG-CD1 3.76Å; P216-L219 HydrophobicContact CG-CG 4.35Å; P216-L219 WeakPolarHBondContact O-CB 3.33Å; P216-L219 PolarHBondContact O-N 2.82Å; P216-I220 PolarHBondContact O-N 3.42Å | ||
| 217 | L | 90.7 | Very high | 91.5 | Very high | 69 Ų | 69 | 41.2 Ų | 41.2 | 36% | 0.361 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -27.5 | -176.8 | -67.4 | 176 | 0 | 0 | 0 | 113.4 | L215 L219 I220 E284 Y285 F288 | L215-L217 HydrophobicContact CD2-CD2 4.05Å; L215-L217 HydrophobicContact CG-CD2 4.42Å; L215-L217 PolarHBondContact O-N 3.22Å; L217-L219 VanDerWaalsContact C-N 3.26Å; L217-L219 PolarHBondContact O-N 3.16Å; L217-I220 CarbonylContact O-C 3.6Å; L217-E284 WeakPolarHBondContact CD1-O 3.34Å; L217-Y285 HydrophobicContact CD1-CD1 4.05Å; L217-Y285 HydrophobicContact CD1-CE1 4.13Å; L217-Y285 HydrophobicContact CD2-CD1 4.04Å; L217-Y285 HydrophobicContact CD2-CE1 4.24Å; L217-Y285 HydrophobicContact CG-CD1 4.17Å; L217-Y285 HydrophobicContact CG-CE1 4.01Å; L217-F288 HydrophobicContact CD2-CB 4.1Å; L217-F288 HydrophobicContact CD2-CD2 3.96Å; L217-F288 HydrophobicContact CD2-CG 4.26Å |
| 218 | E | 89.6 | Confident | 91.4 | Very high | 155 Ų | 155 | 41.3 Ų | 41.3 | 72% | 0.724 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63 | -32.8 | 173.9 | -57.5 | -177.7 | -179.2 | 0 | 0 | 112.5 | P216 | P216-E218 PolarHBondContact O-N 3.34Š|
| 219 | L | 91.6 | Very high | 91.4 | Very high | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -41.4 | 178.5 | -64.1 | 175 | 0 | 0 | 0 | 112 | V171 M174 Q175 L178 L210 P216 L217 N224 | V171-L219 HydrophobicContact CB-CD1 4.48Å; V171-L219 HydrophobicContact CG1-CD1 4.16Å; V171-L219 HydrophobicContact CG1-CD2 4.38Å; V171-L219 HydrophobicContact CG1-CG 4.1Å; V171-L219 HydrophobicContact CG2-CD1 4.46Å; M174-L219 HydrophobicContact CB-CD1 3.66Å; M174-L219 HydrophobicContact CB-CD2 4.48Å; Q175-L219 VanDerWaalsContact CA-CD2 3.46Å; Q175-L219 HydrophobicContact CB-CD2 3.9Å; L178-L219 HydrophobicContact CD2-CB 4.3Å; L210-L219 HydrophobicContact CD2-CD1 4.45Å; P216-L219 HydrophobicContact CB-CB 4.31Å; P216-L219 HydrophobicContact CB-CD1 3.93Å; P216-L219 HydrophobicContact CB-CG 4.23Å; P216-L219 HydrophobicContact CG-CB 4.18Å; P216-L219 HydrophobicContact CG-CD1 3.76Å; P216-L219 HydrophobicContact CG-CG 4.35Å; P216-L219 WeakPolarHBondContact O-CB 3.33Å; P216-L219 PolarHBondContact O-N 2.82Å; L217-L219 VanDerWaalsContact C-N 3.26Å; L217-L219 PolarHBondContact O-N 3.16Å; L219-N224 PolarHBondContact O-ND2 3.02Å |
| 220 | I | 90.9 | Very high | 91.4 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -103.9 | 73.6 | -175.1 | -49 | -60.8 | 0 | 0 | 0 | 109.9 | L178 F207 L215 P216 L217 L225 F288 | L178-I220 HydrophobicContact CD2-CD1 3.59Å; F207-I220 HydrophobicContact CE2-CD1 3.77Å; F207-I220 HydrophobicContact CZ-CD1 4.05Å; L215-I220 HydrophobicContact CD1-CB 4.07Å; L215-I220 HydrophobicContact CD1-CG1 3.97Å; L215-I220 HydrophobicContact CD1-CG2 4.16Å; P216-I220 PolarHBondContact O-N 3.42Å; L217-I220 CarbonylContact O-C 3.6Å; I220-L225 HydrophobicContact CG2-CB 4Å; I220-L225 HydrophobicContact CG2-CD1 3.9Å; I220-L225 HydrophobicContact CG2-CG 4.44Å; I220-F288 HydrophobicContact CG2-CE2 4.24Å |
| 221 | N | 85 | Confident | 91.4 | Very high | 71 Ų | 71 | 45.4 Ų | 45.4 | 38% | 0.38 | 22% | 0.222 | S | C | . | . | trans | -82.5 | 170.2 | 167.9 | 65.6 | 47.6 | 0 | 0 | 0 | 111.7 | Q223 N224 L225 | N221-Q223 VanDerWaalsContact C-N 3.27Å; N221-Q223 PolarHBondContact O-N 3.08Å; N221-Q223 PolarHBondContact OD1-N 2.98Å; N221-Q223 VanDerWaalsContact OD1-N 3.1Å; N221-N224 PolarHBondContact O-N 2.87Å; N221-N224 PolarHBondContact OD1-N 3.18Å; N221-L225 VanDerWaalsContact O-CB 3.26Å; N221-L225 WeakPolarHBondContact O-CB 3.41Å; N221-L225 PolarHBondContact O-N 3.07Å | ||
| 222 | Q | 80.4 | Confident | 91.6 | Very high | 119 Ų | 119 | 45.4 Ų | 45.4 | 56% | 0.556 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -53.5 | -38.9 | -178 | -174.5 | 177.7 | 21.9 | 0 | 0 | 114 | T226 V291 | Q222-T226 PolarHBondContact O-N 3.38Å; Q222-T226 VanDerWaalsContact O-N 3.08Å; Q222-T226 PolarHBondContact O-OG1 3.22Å; Q222-V291 HydrophobicContact CG-CG1 3.85Å |
| 223 | Q | 83.9 | Confident | 91.7 | Very high | 140 Ų | 140 | 46.2 Ų | 46.2 | 65% | 0.654 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -68.5 | -52.3 | -179.4 | -177.4 | 179.4 | -2.3 | 0 | 0 | 111.1 | N221 L225 T226 E227 | N221-Q223 VanDerWaalsContact C-N 3.27Å; N221-Q223 PolarHBondContact O-N 3.08Å; N221-Q223 PolarHBondContact OD1-N 2.98Å; N221-Q223 VanDerWaalsContact OD1-N 3.1Å; Q223-L225 VanDerWaalsContact C-N 3.31Å; Q223-L225 PolarHBondContact O-N 3.49Å; Q223-T226 WeakPolarHBondContact O-CB 3.44Å; Q223-T226 PolarHBondContact O-N 3.09Å; Q223-E227 PolarHBondContact O-N 3.5Å |
| 224 | N | 88.5 | Confident | 92 | Very high | 43 Ų | 43 | 46 Ų | 46 | 23% | 0.23 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.2 | -40.3 | 179.8 | -70.4 | -4.1 | 0 | 0 | 0 | 111.1 | L219 N221 T226 E227 W228 | L219-N224 PolarHBondContact O-ND2 3.02Å; N221-N224 PolarHBondContact O-N 2.87Å; N221-N224 PolarHBondContact OD1-N 3.18Å; N224-T226 VanDerWaalsContact C-N 3.34Å; N224-T226 PolarHBondContact O-N 3.11Å; N224-E227 PolarHBondContact O-N 3.41Å; N224-W228 PolarHBondContact O-N 3.32Å; N224-W228 VanDerWaalsContact O-N 3.08Å |
| 225 | L | 91.5 | Very high | 92.2 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.3 | -43.9 | 177 | -179.7 | 66.5 | 0 | 0 | 0 | 111.6 | I220 N221 Q223 E227 W228 I229 L271 F288 F296 | I220-L225 HydrophobicContact CG2-CB 4Å; I220-L225 HydrophobicContact CG2-CD1 3.9Å; I220-L225 HydrophobicContact CG2-CG 4.44Å; N221-L225 VanDerWaalsContact O-CB 3.26Å; N221-L225 WeakPolarHBondContact O-CB 3.41Å; N221-L225 PolarHBondContact O-N 3.07Å; Q223-L225 VanDerWaalsContact C-N 3.31Å; Q223-L225 PolarHBondContact O-N 3.49Å; L225-E227 VanDerWaalsContact C-N 3.28Å; L225-E227 PolarHBondContact O-N 3.23Å; L225-W228 PolarHBondContact O-N 3.06Å; L225-I229 HydrophobicContact CD1-CD1 4.3Å; L225-I229 HydrophobicContact CD1-CG1 3.96Å; L225-I229 HydrophobicContact CG-CG1 4.07Å; L225-I229 WeakPolarHBondContact O-CB 3.4Å; L225-I229 VanDerWaalsContact O-CG1 3.27Å; L225-I229 WeakPolarHBondContact O-CG1 3.5Å; L225-I229 PolarHBondContact O-N 3.48Å; L225-L271 HydrophobicContact CD1-CD1 4.35Å; L225-F288 HydrophobicContact CD1-CE2 4.35Å; L225-F288 HydrophobicContact CD1-CZ 4.23Å; L225-F288 HydrophobicContact CD2-CD2 4.32Å; L225-F288 HydrophobicContact CD2-CE2 3.42Å; L225-F288 VanDerWaalsContact CD2-CE2 3.42Å; L225-F288 HydrophobicContact CD2-CZ 3.65Å; L225-F288 HydrophobicContact CG-CE2 4.44Å; L225-F296 HydrophobicContact CD2-CD2 3.92Å; L225-F296 HydrophobicContact CD2-CE2 3.48Å; L225-F296 VanDerWaalsContact CD2-CE2 3.48Å; L225-F296 HydrophobicContact CD2-CZ 4.34Å; L225-F296 HydrophobicContact CG-CD2 4.34Å; L225-F296 HydrophobicContact CG-CE2 3.94Å; L225-F296 HydrophobicContact CG-CZ 4.43Å |
| 226 | T | 94.1 | Very high | 92.4 | Very high | 55 Ų | 55 | 45 Ų | 45 | 34% | 0.337 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -55.3 | -46.2 | 178.4 | -58.8 | 0 | 0 | 0 | 0 | 111.1 | Q222 Q223 N224 I229 E230 F296 | Q222-T226 PolarHBondContact O-N 3.38Å; Q222-T226 VanDerWaalsContact O-N 3.08Å; Q222-T226 PolarHBondContact O-OG1 3.22Å; Q223-T226 WeakPolarHBondContact O-CB 3.44Å; Q223-T226 PolarHBondContact O-N 3.09Å; N224-T226 VanDerWaalsContact C-N 3.34Å; N224-T226 PolarHBondContact O-N 3.11Å; T226-I229 PolarHBondContact O-N 3.18Å; T226-E230 WeakPolarHBondContact O-CG 3.5Å; T226-E230 PolarHBondContact O-N 2.98Å; T226-F296 HydrophobicContact CG2-CE1 4.11Å; T226-F296 VanDerWaalsContact OG1-CZ 3.31Å; T226-F296 WeakPolarHBondContact OG1-CZ 3.46Å |
| 227 | E | 94.3 | Very high | 92.5 | Very high | 66 Ų | 66 | 47.7 Ų | 47.7 | 31% | 0.308 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65 | -43.7 | 179 | -61.4 | 176 | 133.2 | 0 | 0 | 112 | K182 Q223 N224 L225 E230 I231 | K182-E227 HydrophobicContact CD-CB 3.98Å; K182-E227 VanDerWaalsContact CD-OE2 3.23Å; K182-E227 WeakPolarHBondContact CD-OE2 3.22Å; K182-E227 WeakPolarHBondContact CE-OE2 3.5Å; K182-E227 IonicContact NZ-OE1 2.98Å; K182-E227 PolarHBondContact NZ-OE1 3.43Å; K182-E227 IonicContact NZ-OE2 2.72Å; K182-E227 PolarHBondContact NZ-OE2 3.42Å; Q223-E227 PolarHBondContact O-N 3.5Å; N224-E227 PolarHBondContact O-N 3.41Å; L225-E227 VanDerWaalsContact C-N 3.28Å; L225-E227 PolarHBondContact O-N 3.23Å; E227-E230 PolarHBondContact O-N 3.05Å; E227-I231 WeakPolarHBondContact O-CG1 3.32Å; E227-I231 PolarHBondContact O-N 3.22Å |
| 228 | W | 96 | Very high | 92.6 | Very high | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.015 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.6 | -42.2 | 176.8 | -80.4 | 113.5 | 0 | 0 | 0 | 112.3 | L178 L181 K182 I203 F207 N224 L225 E230 I231 L232 | L178-W228 HydrophobicContact CD1-CZ2 3.55Å; L178-W228 HydrophobicContact CG-CZ2 4.11Å; L181-W228 HydrophobicContact CB-CH2 4.2Å; L181-W228 HydrophobicContact CB-CZ2 4.44Å; K182-W228 HydrophobicContact CB-CH2 4.15Å; K182-W228 HydrophobicContact CB-CZ2 3.76Å; I203-W228 HydrophobicContact CG2-CH2 4.01Å; I203-W228 HydrophobicContact CG2-CZ3 4.29Å; F207-W228 HydrophobicContact CD2-CD2 4.07Å; F207-W228 HydrophobicContact CD2-CE3 4.32Å; F207-W228 HydrophobicContact CD2-CH2 4.48Å; F207-W228 HydrophobicContact CD2-CZ2 4.23Å; F207-W228 AromaticContact CE2-CD1 3.86Å; F207-W228 AromaticContact CE2-CD2 3.83Å; F207-W228 HydrophobicContact CE2-CD2 3.83Å; F207-W228 AromaticContact CE2-CE2 3.87Å; F207-W228 HydrophobicContact CE2-CE3 4.45Å; F207-W228 AromaticContact CE2-CG 3.86Å; F207-W228 HydrophobicContact CE2-CG 3.86Å; F207-W228 AromaticContact CE2-NE1 3.87Å; F207-W228 HydrophobicContact CZ-CB 4.35Å; F207-W228 HydrophobicContact CZ-CD2 4.41Å; F207-W228 HydrophobicContact CZ-CG 4.12Å; N224-W228 PolarHBondContact O-N 3.32Å; N224-W228 VanDerWaalsContact O-N 3.08Å; L225-W228 PolarHBondContact O-N 3.06Å; W228-E230 VanDerWaalsContact C-N 3.33Å; W228-E230 PolarHBondContact O-N 2.92Å; W228-I231 HydrophobicContact CE3-CD1 4.19Å; W228-I231 HydrophobicContact CZ3-CD1 4.41Å; W228-I231 WeakPolarHBondContact O-CB 3.41Å; W228-I231 PolarHBondContact O-N 2.85Å; W228-L232 WeakPolarHBondContact O-CB 3.25Å; W228-L232 WeakPolarHBondContact O-CD1 3.46Å; W228-L232 WeakPolarHBondContact O-CG 3.26Å; W228-L232 PolarHBondContact O-N 3.08Å |
| 229 | I | 96.2 | Very high | 92.6 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.8 | -41.1 | 175.9 | -68.1 | -66.3 | 0 | 0 | 0 | 111 | L225 T226 L232 K233 L268 L271 F292 F296 V300 | L225-I229 HydrophobicContact CD1-CD1 4.3Å; L225-I229 HydrophobicContact CD1-CG1 3.96Å; L225-I229 HydrophobicContact CG-CG1 4.07Å; L225-I229 WeakPolarHBondContact O-CB 3.4Å; L225-I229 VanDerWaalsContact O-CG1 3.27Å; L225-I229 WeakPolarHBondContact O-CG1 3.5Å; L225-I229 PolarHBondContact O-N 3.48Å; T226-I229 PolarHBondContact O-N 3.18Å; I229-L232 HydrophobicContact CD1-CD1 4.24Å; I229-L232 PolarHBondContact O-N 3.19Å; I229-K233 HydrophobicContact CG2-CD 3.77Å; I229-K233 HydrophobicContact CG2-CG 4.33Å; I229-K233 WeakPolarHBondContact O-CB 3.45Å; I229-K233 VanDerWaalsContact O-CG 3.29Å; I229-K233 WeakPolarHBondContact O-CG 3.47Å; I229-K233 PolarHBondContact O-N 2.65Å; I229-L268 HydrophobicContact CD1-CD2 3.68Å; I229-L271 HydrophobicContact CD1-CD1 4.2Å; I229-F292 HydrophobicContact CD1-CE2 4.12Å; I229-F296 HydrophobicContact CB-CD1 4.22Å; I229-F296 HydrophobicContact CB-CG 4.49Å; I229-F296 HydrophobicContact CG1-CB 4.44Å; I229-F296 HydrophobicContact CG1-CD1 4.26Å; I229-F296 HydrophobicContact CG1-CD2 4.4Å; I229-F296 HydrophobicContact CG1-CG 4.09Å; I229-F296 HydrophobicContact CG2-CB 4.12Å; I229-F296 HydrophobicContact CG2-CD1 3.92Å; I229-F296 HydrophobicContact CG2-CG 4.18Å; I229-V300 HydrophobicContact CG2-CG2 4.07Å |
| 230 | E | 95.8 | Very high | 92.6 | Very high | 87 Ų | 87 | 44.7 Ų | 44.7 | 41% | 0.407 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66.2 | -37.2 | 175.7 | -71.3 | -53.6 | 133.4 | 0 | 0 | 112.5 | T226 E227 W228 K233 T234 | T226-E230 WeakPolarHBondContact O-CG 3.5Å; T226-E230 PolarHBondContact O-N 2.98Å; E227-E230 PolarHBondContact O-N 3.05Å; W228-E230 VanDerWaalsContact C-N 3.33Å; W228-E230 PolarHBondContact O-N 2.92Å; E230-K233 IonicContact OE1-NZ 3.19Å; E230-K233 PolarHBondContact OE1-NZ 3.27Å; E230-K233 IonicContact OE2-NZ 3.01Å; E230-K233 PolarHBondContact OE2-NZ 3.23Å; E230-T234 VanDerWaalsContact O-CB 3.29Å; E230-T234 WeakPolarHBondContact O-CB 3.33Å; E230-T234 PolarHBondContact O-N 3.4Å; E230-T234 PolarHBondContact O-OG1 2.68Å |
| 231 | I | 96.8 | Very high | 92.6 | Very high | 8 Ų | 8 | 46.1 Ų | 46.1 | 4% | 0.041 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.8 | -49.7 | 172 | -69.9 | 168.1 | 0 | 0 | 0 | 110.7 | K182 F185 I186 F204 E227 W228 K233 T234 V235 | K182-I231 HydrophobicContact CG-CD1 3.67Å; F185-I231 HydrophobicContact CD1-CG2 3.36Å; F185-I231 HydrophobicContact CD2-CG2 4.4Å; F185-I231 HydrophobicContact CE1-CG2 3.42Å; F185-I231 VanDerWaalsContact CE1-CG2 3.42Å; F185-I231 HydrophobicContact CE2-CG2 4.43Å; F185-I231 HydrophobicContact CG-CG2 3.91Å; F185-I231 HydrophobicContact CZ-CG2 3.99Å; I186-I231 HydrophobicContact CD1-CD1 4.36Å; I186-I231 HydrophobicContact CG1-CD1 4.03Å; I186-I231 HydrophobicContact CG1-CG1 4.38Å; F204-I231 HydrophobicContact CE1-CG2 3.85Å; F204-I231 HydrophobicContact CZ-CG2 3.88Å; E227-I231 WeakPolarHBondContact O-CG1 3.32Å; E227-I231 PolarHBondContact O-N 3.22Å; W228-I231 HydrophobicContact CE3-CD1 4.19Å; W228-I231 HydrophobicContact CZ3-CD1 4.41Å; W228-I231 WeakPolarHBondContact O-CB 3.41Å; W228-I231 PolarHBondContact O-N 2.85Å; I231-K233 PolarHBondContact O-N 3.46Å; I231-T234 WeakPolarHBondContact O-CB 3.33Å; I231-T234 PolarHBondContact O-N 2.69Å; I231-V235 PolarHBondContact O-N 3.15Å |
| 232 | L | 97.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -58.4 | -50.7 | 179.6 | -69 | 163.2 | 0 | 0 | 0 | 110.7 | F204 W228 I229 T234 V235 V236 A264 I267 L268 | F204-L232 HydrophobicContact CD1-CD2 4.02Å; F204-L232 HydrophobicContact CE1-CD2 3.6Å; F204-L232 HydrophobicContact CE1-CG 4.3Å; F204-L232 HydrophobicContact CE2-CD2 4.3Å; F204-L232 HydrophobicContact CZ-CD2 3.74Å; F204-L232 HydrophobicContact CZ-CG 4.46Å; W228-L232 WeakPolarHBondContact O-CB 3.25Å; W228-L232 WeakPolarHBondContact O-CD1 3.46Å; W228-L232 WeakPolarHBondContact O-CG 3.26Å; W228-L232 PolarHBondContact O-N 3.08Å; I229-L232 HydrophobicContact CD1-CD1 4.24Å; I229-L232 PolarHBondContact O-N 3.19Å; L232-T234 VanDerWaalsContact C-N 3.31Å; L232-T234 PolarHBondContact O-N 3.01Å; L232-V235 PolarHBondContact O-N 3.35Å; L232-V236 WeakPolarHBondContact O-CG2 3.39Å; L232-V236 PolarHBondContact O-N 2.95Å; L232-A264 HydrophobicContact CD2-CB 3.85Å; L232-I267 HydrophobicContact CD1-CB 4.46Å; L232-I267 HydrophobicContact CD1-CG2 3.74Å; L232-I267 HydrophobicContact CD2-CB 4.13Å; L232-I267 HydrophobicContact CD2-CD1 3.79Å; L232-I267 HydrophobicContact CD2-CG2 4.2Å; L232-L268 HydrophobicContact CB-CD1 4.13Å; L232-L268 HydrophobicContact CB-CD2 4.05Å; L232-L268 HydrophobicContact CB-CG 4.11Å; L232-L268 HydrophobicContact CD1-CD2 3.92Å; L232-L268 HydrophobicContact CD1-CG 4.23Å |
| 233 | K | 96.6 | Very high | 93.1 | Very high | 37 Ų | 37 | 49.2 Ų | 49.2 | 16% | 0.161 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.5 | -42.5 | 176.1 | -76.2 | 168.3 | 61.7 | -162.6 | 0 | 112.3 | I229 E230 I231 V235 V236 N237 V300 V303 | I229-K233 HydrophobicContact CG2-CD 3.77Å; I229-K233 HydrophobicContact CG2-CG 4.33Å; I229-K233 WeakPolarHBondContact O-CB 3.45Å; I229-K233 VanDerWaalsContact O-CG 3.29Å; I229-K233 WeakPolarHBondContact O-CG 3.47Å; I229-K233 PolarHBondContact O-N 2.65Å; E230-K233 IonicContact OE1-NZ 3.19Å; E230-K233 PolarHBondContact OE1-NZ 3.27Å; E230-K233 IonicContact OE2-NZ 3.01Å; E230-K233 PolarHBondContact OE2-NZ 3.23Å; I231-K233 PolarHBondContact O-N 3.46Å; K233-V235 VanDerWaalsContact C-N 3.33Å; K233-V235 PolarHBondContact O-N 3.19Å; K233-V236 PolarHBondContact O-N 3.2Å; K233-N237 WeakPolarHBondContact O-CB 3.39Å; K233-N237 PolarHBondContact O-N 3.4Å; K233-V300 HydrophobicContact CD-CG2 4.08Å; K233-V300 HydrophobicContact CG-CG2 4.05Å; K233-V303 HydrophobicContact CB-CG2 4.31Å; K233-V303 HydrophobicContact CG-CG2 4.27Å |
| 234 | T | 96.1 | Very high | 93.3 | Very high | 68 Ų | 68 | 43 Ų | 43 | 42% | 0.417 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.7 | -43.9 | 179.4 | -63.1 | 0 | 0 | 0 | 0 | 111 | L189 E230 I231 L232 R238 | L189-T234 HydrophobicContact CD2-CG2 4.2Å; E230-T234 VanDerWaalsContact O-CB 3.29Å; E230-T234 WeakPolarHBondContact O-CB 3.33Å; E230-T234 PolarHBondContact O-N 3.4Å; E230-T234 PolarHBondContact O-OG1 2.68Å; I231-T234 WeakPolarHBondContact O-CB 3.33Å; I231-T234 PolarHBondContact O-N 2.69Å; L232-T234 VanDerWaalsContact C-N 3.31Å; L232-T234 PolarHBondContact O-N 3.01Å; T234-R238 WeakPolarHBondContact O-CB 3.27Å; T234-R238 PolarHBondContact O-N 3.39Å; T234-R238 VanDerWaalsContact O-N 3.09Å |
| 235 | V | 96.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68 | -42.7 | 178.7 | 175.5 | 0 | 0 | 0 | 0 | 112 | F185 L189 F204 I231 L232 K233 N237 R238 K261 A264 | F185-V235 HydrophobicContact CE1-CG2 3.66Å; F185-V235 HydrophobicContact CZ-CG2 3.71Å; L189-V235 HydrophobicContact CD2-CG2 4.3Å; F204-V235 HydrophobicContact CE2-CB 3.99Å; F204-V235 HydrophobicContact CE2-CG1 3.97Å; F204-V235 HydrophobicContact CE2-CG2 3.82Å; F204-V235 HydrophobicContact CZ-CB 4.24Å; F204-V235 HydrophobicContact CZ-CG2 3.8Å; I231-V235 PolarHBondContact O-N 3.15Å; L232-V235 PolarHBondContact O-N 3.35Å; K233-V235 VanDerWaalsContact C-N 3.33Å; K233-V235 PolarHBondContact O-N 3.19Å; V235-N237 VanDerWaalsContact C-N 3.34Å; V235-N237 PolarHBondContact O-N 3Å; V235-R238 PolarHBondContact O-N 3.11Å; V235-K261 HydrophobicContact CG1-CG 4.39Å; V235-A264 HydrophobicContact CB-CB 4.49Å; V235-A264 HydrophobicContact CG1-CB 4.39Å |
| 236 | V | 96.2 | Very high | 93.2 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.012 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 177.6 | 178.2 | 0 | 0 | 0 | 0 | 110.9 | L232 K233 R238 K261 A264 L265 L268 V303 L304 V307 | L232-V236 WeakPolarHBondContact O-CG2 3.39Å; L232-V236 PolarHBondContact O-N 2.95Å; K233-V236 PolarHBondContact O-N 3.2Å; V236-R238 VanDerWaalsContact C-N 3.33Å; V236-R238 PolarHBondContact O-N 3.29Å; V236-K261 WeakPolarHBondContact O-CE 3.3Å; V236-K261 PolarHBondContact O-NZ 3.2Å; V236-A264 HydrophobicContact CG2-CB 3.87Å; V236-L265 HydrophobicContact CG1-CD2 3.89Å; V236-L265 HydrophobicContact CG1-CG 4.42Å; V236-L265 HydrophobicContact CG2-CD2 3.78Å; V236-L265 HydrophobicContact CG2-CG 3.93Å; V236-L268 HydrophobicContact CG2-CD1 4.16Å; V236-V303 HydrophobicContact CB-CG1 4.02Å; V236-V303 HydrophobicContact CG1-CG1 3.74Å; V236-L304 HydrophobicContact CG1-CD2 3.91Å; V236-V307 HydrophobicContact CG1-CG2 3.87Å |
| 237 | N | 94.3 | Very high | 93.1 | Very high | 70 Ų | 70 | 52.9 Ų | 52.9 | 37% | 0.374 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -73.6 | -19.7 | -176.9 | -170.6 | 37.1 | 0 | 0 | 0 | 114.3 | K233 V235 V303 K306 | K233-N237 WeakPolarHBondContact O-CB 3.39Å; K233-N237 PolarHBondContact O-N 3.4Å; V235-N237 VanDerWaalsContact C-N 3.34Å; V235-N237 PolarHBondContact O-N 3Å; N237-V303 HydrophobicContact CB-CG1 3.79Å; N237-K306 PolarHBondContact O-NZ 2.87Å; N237-K306 VanDerWaalsContact O-NZ 3.17Å; N237-K306 WeakPolarHBondContact OD1-CD 3.41Å; N237-K306 PolarHBondContact OD1-NZ 3.34Å |
| 238 | R | 92.2 | Very high | 92.9 | Very high | 38 Ų | 38 | 56.6 Ų | 56.6 | 14% | 0.143 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -66.7 | 136.5 | -179.1 | -174.6 | 177 | 72.4 | -167.7 | 3.3 | 110.9 | T234 V235 V236 K261 | T234-R238 WeakPolarHBondContact O-CB 3.27Å; T234-R238 PolarHBondContact O-N 3.39Å; T234-R238 VanDerWaalsContact O-N 3.09Å; V235-R238 PolarHBondContact O-N 3.11Å; V236-R238 VanDerWaalsContact C-N 3.33Å; V236-R238 PolarHBondContact O-N 3.29Å; R238-K261 WeakPolarHBondContact O-CE 3.47Å; R238-K261 PolarHBondContact O-NZ 2.83Å |
| 239 | D | 90.6 | Very high | 92.4 | Very high | 104 Ų | 104 | 61.7 Ų | 61.7 | 56% | 0.556 | 31% | 0.311 | S | S | * | . | P | Polyproline II helix | trans | -71.6 | 148.8 | 174.6 | -59.4 | -40.2 | 0 | 0 | 0 | 111 | K306 Q310 | D239-K306 IonicContact OD1-NZ 3.28Å; D239-Q310 PolarHBondContact OD1-NE2 3.22Å |
| 240 | V | 91.5 | Very high | 92 | Very high | 23 Ų | 23 | 68.4 Ų | 68.4 | 14% | 0.139 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -86.1 | 138.4 | 175.3 | -178.2 | 0 | 0 | 0 | 0 | 108.4 | N242 T244 W257 W258 K261 | V240-N242 PolarHBondContact O-N 2.91Å; V240-T244 HydrophobicContact CG1-CG2 3.82Å; V240-T244 WeakPolarHBondContact CG1-OG1 3.41Å; V240-W257 HydrophobicContact CG1-CB 3.86Å; V240-W257 HydrophobicContact CG1-CG 4.27Å; V240-W257 HydrophobicContact CG2-CB 4.34Å; V240-W258 HydrophobicContact CB-CZ2 4.11Å; V240-W258 HydrophobicContact CG1-CZ2 4.26Å; V240-W258 HydrophobicContact CG2-CD2 4.28Å; V240-W258 HydrophobicContact CG2-CE3 4.39Å; V240-W258 HydrophobicContact CG2-CH2 3.9Å; V240-W258 HydrophobicContact CG2-CZ2 3.77Å; V240-W258 HydrophobicContact CG2-CZ3 4.22Å; V240-K261 HydrophobicContact CG2-CD 4.27Å |
| 241 | P | 90.3 | Very high | 91.7 | Very high | 31 Ų | 31 | 68.7 Ų | 68.7 | 20% | 0.201 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 137.7 | -178 | -23.4 | 33.1 | 0 | 0 | 0 | 112.7 | E243 T244 W257 | P241-E243 WeakPolarHBondContact CB-OE2 3.44Å; P241-E243 PolarHBondContact O-N 3.17Å; P241-E243 VanDerWaalsContact O-N 3.16Å; P241-T244 HydrophobicContact CB-CG2 4.46Å; P241-T244 WeakPolarHBondContact O-CB 3.46Å; P241-T244 WeakPolarHBondContact O-CG2 3.31Å; P241-T244 PolarHBondContact O-N 2.8Å; P241-T244 PolarHBondContact O-OG1 3.15Å; P241-W257 HydrophobicContact CG-CD2 4.38Å; P241-W257 HydrophobicContact CG-CZ2 4.19Å |
| 242 | N | 88.3 | Confident | 91.6 | Very high | 128 Ų | 128 | 69.8 Ų | 69.8 | 68% | 0.684 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -64.4 | -22 | -175.9 | -72.1 | -24.3 | 0 | 0 | 0 | 112.9 | V240 T244 L245 | V240-N242 PolarHBondContact O-N 2.91Å; N242-T244 PolarHBondContact O-N 3.49Å; N242-L245 WeakPolarHBondContact O-CB 3.39Å; N242-L245 PolarHBondContact O-N 3.03Å; N242-L245 VanDerWaalsContact O-N 3.1Å |
| 243 | E | 88.1 | Confident | 91.3 | Very high | 126 Ų | 126 | 71.5 Ų | 71.5 | 59% | 0.589 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -60.7 | -26.7 | 175.1 | -59.2 | 77.8 | -170.8 | 0 | 0 | 111.6 | P241 L245 Q246 | P241-E243 WeakPolarHBondContact CB-OE2 3.44Å; P241-E243 PolarHBondContact O-N 3.17Å; P241-E243 VanDerWaalsContact O-N 3.16Å; E243-L245 PolarHBondContact O-N 3.16Å; E243-Q246 WeakPolarHBondContact O-CB 3.32Å; E243-Q246 PolarHBondContact O-N 3.42Å; E243-Q246 VanDerWaalsContact O-N 3.13Å |
| 244 | T | 87.8 | Confident | 91.1 | Very high | 9 Ų | 9 | 75.3 Ų | 75.3 | 6% | 0.055 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -65.4 | -20.3 | 176.1 | 65.5 | 0 | 0 | 0 | 0 | 113.3 | V240 P241 N242 Q246 V247 L255 W257 | V240-T244 HydrophobicContact CG1-CG2 3.82Å; V240-T244 WeakPolarHBondContact CG1-OG1 3.41Å; P241-T244 HydrophobicContact CB-CG2 4.46Å; P241-T244 WeakPolarHBondContact O-CB 3.46Å; P241-T244 WeakPolarHBondContact O-CG2 3.31Å; P241-T244 PolarHBondContact O-N 2.8Å; P241-T244 PolarHBondContact O-OG1 3.15Å; N242-T244 PolarHBondContact O-N 3.49Å; T244-Q246 PolarHBondContact O-N 3.33Å; T244-V247 WeakPolarHBondContact O-CB 3.16Å; T244-V247 PolarHBondContact O-N 3.41Å; T244-L255 HydrophobicContact CG2-CD1 3.86Å; T244-W257 HydrophobicContact CG2-CD2 4.43Å; T244-W257 HydrophobicContact CG2-CE3 3.92Å; T244-W257 HydrophobicContact CG2-CZ3 4.16Å |
| 245 | L | 88.6 | Confident | 91 | Very high | 92 Ų | 92 | 73.5 Ų | 73.5 | 48% | 0.482 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -72.8 | -12.2 | 175.9 | -59.9 | 174.3 | 0 | 0 | 0 | 112.8 | N242 E243 V247 R252 | N242-L245 WeakPolarHBondContact O-CB 3.39Å; N242-L245 PolarHBondContact O-N 3.03Å; N242-L245 VanDerWaalsContact O-N 3.1Å; E243-L245 PolarHBondContact O-N 3.16Å; L245-V247 VanDerWaalsContact C-N 3.28Å; L245-R252 PolarHBondContact O-NH2 3.02Å |
| 246 | Q | 89.6 | Confident | 90.9 | Very high | 169 Ų | 169 | 74.1 Ų | 74.1 | 79% | 0.79 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -80 | -13.9 | 174.8 | -58.2 | 175.6 | 11 | 0 | 0 | 112.4 | E243 T244 | E243-Q246 WeakPolarHBondContact O-CB 3.32Å; E243-Q246 PolarHBondContact O-N 3.42Å; E243-Q246 VanDerWaalsContact O-N 3.13Å; T244-Q246 PolarHBondContact O-N 3.33Å |
| 247 | V | 91.1 | Very high | 90.9 | Very high | 47 Ų | 47 | 75.5 Ų | 75.5 | 29% | 0.285 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -80.8 | 143.1 | 173.4 | -176.5 | 0 | 0 | 0 | 0 | 108.6 | T244 L245 D251 R252 L255 | T244-V247 WeakPolarHBondContact O-CB 3.16Å; T244-V247 PolarHBondContact O-N 3.41Å; L245-V247 VanDerWaalsContact C-N 3.28Å; V247-D251 HydrophobicContact CG1-CB 3.55Å; V247-R252 HydrophobicContact CB-CG 4.19Å; V247-R252 HydrophobicContact CG1-CG 4.39Å; V247-R252 PolarHBondContact O-NE 3.28Å; V247-R252 PolarHBondContact O-NH2 3.38Å; V247-R252 VanDerWaalsContact O-NH2 3.16Å; V247-L255 HydrophobicContact CB-CD1 4.37Å; V247-L255 HydrophobicContact CG2-CD1 4.2Å; V247-L255 HydrophobicContact CG2-CD2 4.29Å |
| 248 | E | 90.2 | Very high | 90.9 | Very high | 144 Ų | 144 | 72.8 Ų | 72.8 | 67% | 0.673 | 37% | 0.366 | S | S | * | . | trans | -56.4 | 145.4 | 175 | -66.4 | -174.8 | 177.2 | 0 | 0 | 110.5 | D250 D251 R252 | E248-D250 PolarHBondContact O-N 3.14Å; E248-D251 PolarHBondContact O-N 2.86Å; E248-D251 VanDerWaalsContact O-N 3.15Å; E248-R252 WeakPolarHBondContact O-CG 3.16Å; E248-R252 PolarHBondContact O-N 3.36Å | ||
| 249 | E | 86 | Confident | 91.1 | Very high | 111 Ų | 111 | 73.6 Ų | 73.6 | 52% | 0.519 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -58.8 | -38.4 | -168.7 | -169.5 | 145.3 | 154.8 | 0 | 0 | 112.7 | D251 R252 P253 Y316 | E249-D251 VanDerWaalsContact C-N 3.33Å; E249-D251 PolarHBondContact O-N 2.98Å; E249-R252 WeakPolarHBondContact O-CB 3.34Å; E249-R252 PolarHBondContact O-N 3.49Å; E249-R252 IonicContact OE2-CZ 3.79Å; E249-R252 IonicContact OE2-NH1 2.82Å; E249-R252 PolarHBondContact OE2-NH1 2.96Å; E249-P253 WeakPolarHBondContact O-CD 3.14Å; E249-Y316 HydrophobicContact CG-CD2 4.08Å; E249-Y316 HydrophobicContact CG-CE2 3.6Å |
| 250 | D | 86.6 | Confident | 91.4 | Very high | 141 Ų | 141 | 68.6 Ų | 68.6 | 75% | 0.754 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -69.4 | -28.9 | -178.4 | -54.6 | -30.4 | 0 | 0 | 0 | 113 | E248 P253 | E248-D250 PolarHBondContact O-N 3.14Å; D250-P253 VanDerWaalsContact O-CD 3.31Å; D250-P253 WeakPolarHBondContact O-CD 3.37Å |
| 251 | D | 91.5 | Very high | 91.7 | Very high | 93 Ų | 93 | 67.9 Ų | 67.9 | 50% | 0.497 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -85.7 | -18.6 | 177.2 | -78.8 | -30.6 | 0 | 0 | 0 | 112.8 | V247 E248 E249 P253 E254 | V247-D251 HydrophobicContact CG1-CB 3.55Å; E248-D251 PolarHBondContact O-N 2.86Å; E248-D251 VanDerWaalsContact O-N 3.15Å; E249-D251 VanDerWaalsContact C-N 3.33Å; E249-D251 PolarHBondContact O-N 2.98Å; D251-P253 VanDerWaalsContact C-CD 3.46Å; D251-E254 WeakPolarHBondContact O-CB 3.22Å; D251-E254 PolarHBondContact O-N 3.36Å; D251-E254 VanDerWaalsContact O-N 3.09Å |
| 252 | R | 93.7 | Very high | 91.9 | Very high | 31 Ų | 31 | 68.8 Ų | 68.8 | 12% | 0.117 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -58.4 | -42.1 | -177.6 | -72.4 | 171.3 | -163.5 | 153.9 | 8 | 113.6 | L245 V247 E248 E249 E254 L255 Y316 | L245-R252 PolarHBondContact O-NH2 3.02Å; V247-R252 HydrophobicContact CB-CG 4.19Å; V247-R252 HydrophobicContact CG1-CG 4.39Å; V247-R252 PolarHBondContact O-NE 3.28Å; V247-R252 PolarHBondContact O-NH2 3.38Å; V247-R252 VanDerWaalsContact O-NH2 3.16Å; E248-R252 WeakPolarHBondContact O-CG 3.16Å; E248-R252 PolarHBondContact O-N 3.36Å; E249-R252 WeakPolarHBondContact O-CB 3.34Å; E249-R252 PolarHBondContact O-N 3.49Å; E249-R252 IonicContact OE2-CZ 3.79Å; E249-R252 IonicContact OE2-NH1 2.82Å; E249-R252 PolarHBondContact OE2-NH1 2.96Å; R252-E254 PolarHBondContact O-N 3.47Å; R252-E254 VanDerWaalsContact O-N 3.11Å; R252-L255 HydrophobicContact CB-CD1 4.37Å; R252-L255 HydrophobicContact CG-CD1 4.36Å; R252-L255 VanDerWaalsContact O-CB 3.31Å; R252-L255 WeakPolarHBondContact O-CB 3.46Å; R252-L255 WeakPolarHBondContact O-CG 3.32Å; R252-L255 PolarHBondContact O-N 2.99Å; R252-Y316 HydrophobicContact CB-CE1 3.59Å; R252-Y316 HydrophobicContact CG-CE1 4.23Å |
| 253 | P | 92.2 | Very high | 92.4 | Very high | 37 Ų | 37 | 64.4 Ų | 64.4 | 24% | 0.24 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -55.1 | -26.9 | 177 | -25.3 | 35.7 | 0 | 0 | 0 | 113.4 | E249 D250 D251 L255 Y316 | E249-P253 WeakPolarHBondContact O-CD 3.14Å; D250-P253 VanDerWaalsContact O-CD 3.31Å; D250-P253 WeakPolarHBondContact O-CD 3.37Å; D251-P253 VanDerWaalsContact C-CD 3.46Å; P253-L255 VanDerWaalsContact C-N 3.3Å; P253-L255 PolarHBondContact O-N 3.2Å; P253-Y316 WeakPolarHBondContact CD-OH 3.25Å; P253-Y316 WeakPolarHBondContact CG-OH 3.42Å |
| 254 | E | 91.4 | Very high | 92.8 | Very high | 116 Ų | 116 | 58.4 Ų | 58.4 | 54% | 0.542 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -78.8 | -12.9 | -178.7 | -67.1 | -58.7 | 97.7 | 0 | 0 | 114 | D251 R252 K259 | D251-E254 WeakPolarHBondContact O-CB 3.22Å; D251-E254 PolarHBondContact O-N 3.36Å; D251-E254 VanDerWaalsContact O-N 3.09Å; R252-E254 PolarHBondContact O-N 3.47Å; R252-E254 VanDerWaalsContact O-N 3.11Å; E254-K259 WeakPolarHBondContact O-CD 3.45Å; E254-K259 VanDerWaalsContact O-CE 3.26Å; E254-K259 WeakPolarHBondContact O-CE 3.13Å; E254-K259 PolarHBondContact O-NZ 3.36Å; E254-K259 WeakPolarHBondContact OE1-CE 3.45Å; E254-K259 IonicContact OE1-NZ 3.98Å; E254-K259 WeakPolarHBondContact OE2-CE 3.5Å; E254-K259 IonicContact OE2-NZ 2.81Å; E254-K259 PolarHBondContact OE2-NZ 2.87Å |
| 255 | L | 94.1 | Very high | 93.3 | Very high | 30 Ų | 30 | 58 Ų | 58 | 16% | 0.157 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -66.3 | 142.7 | 178.7 | -61.4 | 173.4 | 0 | 0 | 0 | 111.9 | T244 V247 R252 P253 W257 W258 K259 | T244-L255 HydrophobicContact CG2-CD1 3.86Å; V247-L255 HydrophobicContact CB-CD1 4.37Å; V247-L255 HydrophobicContact CG2-CD1 4.2Å; V247-L255 HydrophobicContact CG2-CD2 4.29Å; R252-L255 HydrophobicContact CB-CD1 4.37Å; R252-L255 HydrophobicContact CG-CD1 4.36Å; R252-L255 VanDerWaalsContact O-CB 3.31Å; R252-L255 WeakPolarHBondContact O-CB 3.46Å; R252-L255 WeakPolarHBondContact O-CG 3.32Å; R252-L255 PolarHBondContact O-N 2.99Å; P253-L255 VanDerWaalsContact C-N 3.3Å; P253-L255 PolarHBondContact O-N 3.2Å; L255-W257 VanDerWaalsContact C-N 3.27Å; L255-W257 HydrophobicContact CB-CE3 4.15Å; L255-W257 PolarHBondContact O-N 3.42Å; L255-W257 VanDerWaalsContact O-N 3.13Å; L255-W258 PolarHBondContact O-N 2.92Å; L255-W258 VanDerWaalsContact O-N 3.14Å; L255-K259 PolarHBondContact O-N 3.24Å |
| 256 | P | 94.2 | Very high | 93.6 | Very high | 15 Ų | 15 | 55 Ų | 55 | 10% | 0.097 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.3 | -33.9 | -175.7 | -31.7 | 40 | 0 | 0 | 0 | 114.9 | D194 V197 C260 | D194-P256 WeakPolarHBondContact OD2-CD 3.48Å; D194-P256 VanDerWaalsContact OD2-CG 3.27Å; D194-P256 WeakPolarHBondContact OD2-CG 3.29Å; V197-P256 HydrophobicContact CB-CB 4.18Å; V197-P256 HydrophobicContact CG1-CB 3.9Å; V197-P256 WeakPolarHBondContact CG1-O 3.5Å; P256-C260 WeakPolarHBondContact O-CB 3.43Å; P256-C260 PolarHBondContact O-N 3.31Å |
| 257 | W | 95.7 | Very high | 94 | Very high | 31 Ų | 31 | 47 Ų | 47 | 12% | 0.117 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63 | -45.9 | 178 | -60.6 | -95.1 | 0 | 0 | 0 | 112.4 | Q192 D194 V197 V240 P241 T244 L255 C260 K261 | Q192-W257 WeakPolarHBondContact O-CZ2 3.46Å; D194-W257 HydrophobicContact CB-CH2 4.14Å; V197-W257 HydrophobicContact CG1-CG 4.17Å; V240-W257 HydrophobicContact CG1-CB 3.86Å; V240-W257 HydrophobicContact CG1-CG 4.27Å; V240-W257 HydrophobicContact CG2-CB 4.34Å; P241-W257 HydrophobicContact CG-CD2 4.38Å; P241-W257 HydrophobicContact CG-CZ2 4.19Å; T244-W257 HydrophobicContact CG2-CD2 4.43Å; T244-W257 HydrophobicContact CG2-CE3 3.92Å; T244-W257 HydrophobicContact CG2-CZ3 4.16Å; L255-W257 VanDerWaalsContact C-N 3.27Å; L255-W257 HydrophobicContact CB-CE3 4.15Å; L255-W257 PolarHBondContact O-N 3.42Å; L255-W257 VanDerWaalsContact O-N 3.13Å; W257-C260 PolarHBondContact O-N 2.82Å; W257-K261 PolarHBondContact O-N 3.17Å |
| 258 | W | 95.8 | Very high | 94.3 | Very high | 12 Ų | 12 | 44.8 Ų | 44.8 | 5% | 0.045 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69 | -43.3 | 177.7 | -70 | 116.7 | 0 | 0 | 0 | 111.3 | V240 L255 C260 K261 K262 Y316 M317 A318 V321 | V240-W258 HydrophobicContact CB-CZ2 4.11Å; V240-W258 HydrophobicContact CG1-CZ2 4.26Å; V240-W258 HydrophobicContact CG2-CD2 4.28Å; V240-W258 HydrophobicContact CG2-CE3 4.39Å; V240-W258 HydrophobicContact CG2-CH2 3.9Å; V240-W258 HydrophobicContact CG2-CZ2 3.77Å; V240-W258 HydrophobicContact CG2-CZ3 4.22Å; L255-W258 PolarHBondContact O-N 2.92Å; L255-W258 VanDerWaalsContact O-N 3.14Å; W258-C260 VanDerWaalsContact C-N 3.31Å; W258-C260 PolarHBondContact O-N 3.45Å; W258-K261 HydrophobicContact CE3-CD 4.41Å; W258-K261 HydrophobicContact CZ3-CD 4.32Å; W258-K261 PolarHBondContact O-N 3.13Å; W258-K262 WeakPolarHBondContact O-CB 3.39Å; W258-K262 PolarHBondContact O-N 3.31Å; W258-Y316 HydrophobicContact CD2-CE1 4.45Å; W258-Y316 AromaticContact CE2-CD1 3.89Å; W258-Y316 AromaticContact CE2-CE1 3.76Å; W258-Y316 HydrophobicContact CH2-CD1 4.34Å; W258-Y316 WeakPolarHBondContact CH2-O 3.43Å; W258-Y316 AromaticContact CZ2-CD1 3.58Å; W258-Y316 HydrophobicContact CZ2-CD1 3.58Å; W258-Y316 AromaticContact CZ2-CE1 3.93Å; W258-Y316 HydrophobicContact CZ2-CE1 3.93Å; W258-Y316 AromaticContact NE1-CE1 3.73Å; W258-M317 HydrophobicContact CH2-SD 3.71Å; W258-M317 HydrophobicContact CZ3-SD 3.78Å; W258-A318 HydrophobicContact CB-CB 3.93Å; W258-A318 HydrophobicContact CD2-CB 3.73Å; W258-A318 HydrophobicContact CE3-CB 3.58Å; W258-A318 HydrophobicContact CG-CB 3.89Å; W258-A318 HydrophobicContact CZ3-CB 4.35Å; W258-V321 HydrophobicContact CE3-CG2 4.04Å; W258-V321 HydrophobicContact CZ3-CG1 4.45Å |
| 259 | K | 95.6 | Very high | 94.6 | Very high | 55 Ų | 55 | 38.2 Ų | 38.2 | 24% | 0.239 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.3 | -41.4 | 172.2 | -73.6 | 178.2 | 168.4 | 149.2 | 0 | 112.2 | K201 E254 L255 K262 W263 | K201-K259 HydrophobicContact CD-CB 4.18Å; K201-K259 HydrophobicContact CG-CB 4Å; E254-K259 WeakPolarHBondContact O-CD 3.45Å; E254-K259 VanDerWaalsContact O-CE 3.26Å; E254-K259 WeakPolarHBondContact O-CE 3.13Å; E254-K259 PolarHBondContact O-NZ 3.36Å; E254-K259 WeakPolarHBondContact OE1-CE 3.45Å; E254-K259 IonicContact OE1-NZ 3.98Å; E254-K259 WeakPolarHBondContact OE2-CE 3.5Å; E254-K259 IonicContact OE2-NZ 2.81Å; E254-K259 PolarHBondContact OE2-NZ 2.87Å; L255-K259 PolarHBondContact O-N 3.24Å; K259-K262 WeakPolarHBondContact O-CB 3.1Å; K259-K262 PolarHBondContact O-N 3.26Å; K259-W263 PolarHBondContact O-N 2.89Å |
| 260 | C | 97.2 | Very high | 95 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.3 | -46.8 | 179.7 | -167 | 0 | 0 | 0 | 0 | 111.3 | V197 K201 P256 W257 W258 K262 W263 A264 | V197-C260 HydrophobicContact CG1-CB 3.88Å; K201-C260 HydrophobicContact CB-CB 3.99Å; P256-C260 WeakPolarHBondContact O-CB 3.43Å; P256-C260 PolarHBondContact O-N 3.31Å; W257-C260 PolarHBondContact O-N 2.82Å; W258-C260 VanDerWaalsContact C-N 3.31Å; W258-C260 PolarHBondContact O-N 3.45Å; C260-K262 PolarHBondContact O-N 3.22Å; C260-W263 PolarHBondContact O-N 3.44Å; C260-A264 PolarHBondContact O-N 3.35Å |
| 261 | K | 97.1 | Very high | 95.5 | Very high | 8 Ų | 8 | 28.8 Ų | 28.8 | 4% | 0.035 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.8 | -45.5 | 173.2 | -77 | -167.2 | 174.8 | -154.8 | 0 | 112.3 | V235 V236 R238 V240 W257 W258 W263 A264 L265 V321 | V235-K261 HydrophobicContact CG1-CG 4.39Å; V236-K261 WeakPolarHBondContact O-CE 3.3Å; V236-K261 PolarHBondContact O-NZ 3.2Å; R238-K261 WeakPolarHBondContact O-CE 3.47Å; R238-K261 PolarHBondContact O-NZ 2.83Å; V240-K261 HydrophobicContact CG2-CD 4.27Å; W257-K261 PolarHBondContact O-N 3.17Å; W258-K261 HydrophobicContact CE3-CD 4.41Å; W258-K261 HydrophobicContact CZ3-CD 4.32Å; W258-K261 PolarHBondContact O-N 3.13Å; K261-W263 PolarHBondContact O-N 3.24Å; K261-A264 PolarHBondContact O-N 3.37Å; K261-L265 PolarHBondContact O-N 2.63Å; K261-V321 HydrophobicContact CB-CG2 3.89Å |
| 262 | K | 95.7 | Very high | 95.7 | Very high | 49 Ų | 49 | 24.4 Ų | 24.4 | 21% | 0.213 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -52.7 | -52.9 | 175.9 | 179.9 | -166.2 | 76.5 | 174 | 0 | 110.9 | W258 K259 C260 A264 L265 H266 R320 V321 | W258-K262 WeakPolarHBondContact O-CB 3.39Å; W258-K262 PolarHBondContact O-N 3.31Å; K259-K262 WeakPolarHBondContact O-CB 3.1Å; K259-K262 PolarHBondContact O-N 3.26Å; C260-K262 PolarHBondContact O-N 3.22Å; K262-A264 VanDerWaalsContact C-N 3.35Å; K262-A264 PolarHBondContact O-N 3.16Å; K262-L265 PolarHBondContact O-N 2.89Å; K262-H266 WeakPolarHBondContact O-CB 3.44Å; K262-H266 PolarHBondContact O-N 2.9Å; K262-R320 HydrophobicContact CD-CB 3.73Å; K262-R320 HydrophobicContact CD-CG 4.17Å; K262-R320 HydrophobicContact CG-CB 3.82Å; K262-V321 HydrophobicContact CB-CG2 4.26Å |
| 263 | W | 97.5 | Very high | 95.7 | Very high | 36 Ų | 36 | 27.8 Ų | 27.8 | 14% | 0.136 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.5 | -36.9 | -178.7 | -77.1 | 111.8 | 0 | 0 | 0 | 112.9 | F204 K205 Y208 K259 C260 K261 H266 I267 | F204-W263 HydrophobicContact CB-CB 3.84Å; K205-W263 HydrophobicContact CD-CZ2 3.85Å; K205-W263 HydrophobicContact CG-CD2 3.73Å; K205-W263 HydrophobicContact CG-CE3 4.38Å; K205-W263 HydrophobicContact CG-CG 4.05Å; K205-W263 HydrophobicContact CG-CH2 4.39Å; K205-W263 HydrophobicContact CG-CZ2 3.75Å; Y208-W263 AromaticContact CD1-CE3 3.97Å; Y208-W263 HydrophobicContact CD1-CE3 3.97Å; Y208-W263 HydrophobicContact CD1-CH2 4.22Å; Y208-W263 AromaticContact CD1-CZ3 3.29Å; Y208-W263 HydrophobicContact CD1-CZ3 3.29Å; Y208-W263 HydrophobicContact CE1-CH2 4.41Å; Y208-W263 AromaticContact CE1-CZ3 3.6Å; Y208-W263 HydrophobicContact CE1-CZ3 3.6Å; Y208-W263 AromaticContact CG-CE3 3.99Å; Y208-W263 HydrophobicContact CG-CE3 3.99Å; Y208-W263 AromaticContact CG-CZ3 3.79Å; Y208-W263 HydrophobicContact CG-CZ3 3.79Å; K259-W263 PolarHBondContact O-N 2.89Å; C260-W263 PolarHBondContact O-N 3.44Å; K261-W263 PolarHBondContact O-N 3.24Å; W263-H266 HydrophobicContact CE3-CB 4.37Å; W263-H266 AromaticContact CE3-ND1 3.86Å; W263-H266 AromaticContact CZ3-ND1 3.55Å; W263-H266 PolarHBondContact O-N 2.77Å; W263-I267 WeakPolarHBondContact O-CD1 3.37Å; W263-I267 VanDerWaalsContact O-CG1 3.26Å; W263-I267 WeakPolarHBondContact O-CG1 3.5Å; W263-I267 PolarHBondContact O-N 3.09Å |
| 264 | A | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.1 | -46.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F204 L232 V235 V236 C260 K261 K262 I267 L268 | F204-A264 HydrophobicContact CD2-CB 3.98Å; F204-A264 HydrophobicContact CE2-CB 3.56Å; F204-A264 HydrophobicContact CZ-CB 4.19Å; L232-A264 HydrophobicContact CD2-CB 3.85Å; V235-A264 HydrophobicContact CB-CB 4.49Å; V235-A264 HydrophobicContact CG1-CB 4.39Å; V236-A264 HydrophobicContact CG2-CB 3.87Å; C260-A264 PolarHBondContact O-N 3.35Å; K261-A264 PolarHBondContact O-N 3.37Å; K262-A264 VanDerWaalsContact C-N 3.35Å; K262-A264 PolarHBondContact O-N 3.16Å; A264-I267 PolarHBondContact O-N 2.96Å; A264-L268 WeakPolarHBondContact O-CG 3.39Å; A264-L268 PolarHBondContact O-N 2.75Å; A264-L268 VanDerWaalsContact O-N 3.08Å |
| 265 | L | 97.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66.9 | -38.5 | 177.3 | -71.4 | 172.5 | 0 | 0 | 0 | 112.6 | V236 K261 K262 I267 L268 A269 L304 V321 Q324 T325 | V236-L265 HydrophobicContact CG1-CD2 3.89Å; V236-L265 HydrophobicContact CG1-CG 4.42Å; V236-L265 HydrophobicContact CG2-CD2 3.78Å; V236-L265 HydrophobicContact CG2-CG 3.93Å; K261-L265 PolarHBondContact O-N 2.63Å; K262-L265 PolarHBondContact O-N 2.89Å; L265-I267 VanDerWaalsContact C-N 3.29Å; L265-I267 PolarHBondContact O-N 2.76Å; L265-L268 HydrophobicContact CD2-CD1 4.47Å; L265-L268 PolarHBondContact O-N 3.04Å; L265-L268 VanDerWaalsContact O-N 3.14Å; L265-A269 WeakPolarHBondContact O-CB 3.41Å; L265-A269 PolarHBondContact O-N 3.39Å; L265-L304 HydrophobicContact CD2-CD2 3.27Å; L265-V321 HydrophobicContact CD1-CB 4.09Å; L265-V321 HydrophobicContact CD1-CG1 3.56Å; L265-V321 HydrophobicContact CD1-CG2 4.36Å; L265-V321 VanDerWaalsContact CD1-O 3.3Å; L265-V321 WeakPolarHBondContact CD1-O 3.12Å; L265-Q324 HydrophobicContact CB-CB 3.66Å; L265-Q324 HydrophobicContact CB-CG 4.49Å; L265-Q324 HydrophobicContact CD1-CB 4.43Å; L265-T325 WeakPolarHBondContact CD1-OG1 3.45Å |
| 266 | H | 95.3 | Very high | 95.8 | Very high | 30 Ų | 30 | 23.8 Ų | 23.8 | 14% | 0.139 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.6 | -40.5 | 178.3 | -154.1 | -172.9 | 0 | 0 | 0 | 111.4 | Y208 K262 W263 R270 Q324 | Y208-H266 HydrophobicContact CD2-CB 4.46Å; Y208-H266 AromaticContact CE1-CE1 3.91Å; Y208-H266 AromaticContact CE1-ND1 3.86Å; Y208-H266 HydrophobicContact CE2-CB 4.25Å; Y208-H266 AromaticContact CE2-CD2 3.97Å; Y208-H266 AromaticContact CE2-CG 3.73Å; Y208-H266 AromaticContact CE2-ND1 3.86Å; Y208-H266 AromaticContact CZ-CE1 3.51Å; Y208-H266 AromaticContact CZ-CG 3.88Å; Y208-H266 AromaticContact CZ-ND1 3.57Å; Y208-H266 AromaticContact CZ-NE2 3.8Å; Y208-H266 PolarHBondContact OH-CE1 3.05Å; Y208-H266 VanDerWaalsContact OH-CE1 3.27Å; Y208-H266 PolarHBondContact OH-NE2 2.66Å; K262-H266 WeakPolarHBondContact O-CB 3.44Å; K262-H266 PolarHBondContact O-N 2.9Å; W263-H266 HydrophobicContact CE3-CB 4.37Å; W263-H266 AromaticContact CE3-ND1 3.86Å; W263-H266 AromaticContact CZ3-ND1 3.55Å; W263-H266 PolarHBondContact O-N 2.77Å; H266-R270 WeakPolarHBondContact O-CB 3.41Å; H266-R270 PolarHBondContact O-N 3.3Å; H266-Q324 PolarHBondContact CD2-OE1 3.41Å |
| 267 | I | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.4 | -48.6 | 172.3 | -65.7 | 158.7 | 0 | 0 | 0 | 110.6 | F204 F207 Y208 L232 W263 A264 L265 R270 L271 | F204-I267 HydrophobicContact CB-CD1 3.85Å; F204-I267 HydrophobicContact CD1-CD1 4.1Å; F204-I267 HydrophobicContact CG-CD1 4.1Å; F207-I267 HydrophobicContact CB-CD1 4.36Å; F207-I267 HydrophobicContact CD1-CD1 3.86Å; F207-I267 HydrophobicContact CD1-CG1 4.16Å; F207-I267 HydrophobicContact CD1-CG2 3.69Å; F207-I267 HydrophobicContact CE1-CG2 3.61Å; Y208-I267 HydrophobicContact CD2-CG1 3.77Å; Y208-I267 HydrophobicContact CG-CG1 4.21Å; L232-I267 HydrophobicContact CD1-CB 4.46Å; L232-I267 HydrophobicContact CD1-CG2 3.74Å; L232-I267 HydrophobicContact CD2-CB 4.13Å; L232-I267 HydrophobicContact CD2-CD1 3.79Å; L232-I267 HydrophobicContact CD2-CG2 4.2Å; W263-I267 WeakPolarHBondContact O-CD1 3.37Å; W263-I267 VanDerWaalsContact O-CG1 3.26Å; W263-I267 WeakPolarHBondContact O-CG1 3.5Å; W263-I267 PolarHBondContact O-N 3.09Å; A264-I267 PolarHBondContact O-N 2.96Å; L265-I267 VanDerWaalsContact C-N 3.29Å; L265-I267 PolarHBondContact O-N 2.76Å; I267-R270 PolarHBondContact O-N 3.09Å; I267-L271 HydrophobicContact CG2-CD1 3.81Å; I267-L271 HydrophobicContact CG2-CG 4.17Å; I267-L271 WeakPolarHBondContact O-CB 3.11Å; I267-L271 VanDerWaalsContact O-CG 3.25Å; I267-L271 WeakPolarHBondContact O-CG 3.26Å; I267-L271 PolarHBondContact O-N 3.01Å |
| 268 | L | 97.7 | Very high | 95.4 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.9 | -47.1 | -178.1 | -71.4 | 168.2 | 0 | 0 | 0 | 112 | I229 L232 V236 A264 L265 L271 F272 V300 Y328 | I229-L268 HydrophobicContact CD1-CD2 3.68Å; L232-L268 HydrophobicContact CB-CD1 4.13Å; L232-L268 HydrophobicContact CB-CD2 4.05Å; L232-L268 HydrophobicContact CB-CG 4.11Å; L232-L268 HydrophobicContact CD1-CD2 3.92Å; L232-L268 HydrophobicContact CD1-CG 4.23Å; V236-L268 HydrophobicContact CG2-CD1 4.16Å; A264-L268 WeakPolarHBondContact O-CG 3.39Å; A264-L268 PolarHBondContact O-N 2.75Å; A264-L268 VanDerWaalsContact O-N 3.08Å; L265-L268 HydrophobicContact CD2-CD1 4.47Å; L265-L268 PolarHBondContact O-N 3.04Å; L265-L268 VanDerWaalsContact O-N 3.14Å; L268-L271 PolarHBondContact O-N 2.74Å; L268-F272 PolarHBondContact O-N 2.83Å; L268-V300 HydrophobicContact CB-CG1 4.43Å; L268-V300 HydrophobicContact CD1-CG1 3.9Å; L268-V300 HydrophobicContact CD2-CG1 4.14Å; L268-V300 HydrophobicContact CD2-CG2 3.86Å; L268-V300 HydrophobicContact CG-CG1 4.39Å; L268-Y328 HydrophobicContact CB-CD2 4.04Å; L268-Y328 HydrophobicContact CB-CE2 4Å; L268-Y328 VanDerWaalsContact O-CE2 3.29Å; L268-Y328 WeakPolarHBondContact O-CE2 3.49Å |
| 269 | A | 95.7 | Very high | 94.9 | Very high | 5 Ų | 5 | 22.4 Ų | 22.4 | 4% | 0.041 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.1 | -50.4 | 177 | 0 | 0 | 0 | 0 | 0 | 110.5 | L265 L271 F272 E273 | L265-A269 WeakPolarHBondContact O-CB 3.41Å; L265-A269 PolarHBondContact O-N 3.39Å; A269-L271 VanDerWaalsContact C-N 3.35Å; A269-L271 PolarHBondContact O-N 3.18Å; A269-F272 PolarHBondContact O-N 3.12Å; A269-F272 VanDerWaalsContact O-N 3.15Å; A269-E273 VanDerWaalsContact O-CB 3.27Å; A269-E273 WeakPolarHBondContact O-CB 3.42Å; A269-E273 PolarHBondContact O-N 2.94Å |
| 270 | R | 95.3 | Very high | 94.4 | Very high | 54 Ų | 54 | 21.8 Ų | 21.8 | 20% | 0.204 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.5 | -41.6 | 178.4 | -175.9 | 61.6 | 65 | 166.5 | 2.5 | 113 | Y208 H266 I267 F272 R274 | Y208-R270 HydrophobicContact CE2-CB 3.96Å; Y208-R270 HydrophobicContact CE2-CG 4.17Å; H266-R270 WeakPolarHBondContact O-CB 3.41Å; H266-R270 PolarHBondContact O-N 3.3Å; I267-R270 PolarHBondContact O-N 3.09Å; R270-F272 VanDerWaalsContact C-N 3.33Å; R270-R274 WeakPolarHBondContact O-CB 3.46Å; R270-R274 PolarHBondContact O-N 3.31Å |
| 271 | L | 95.8 | Very high | 94 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.9 | -40.7 | 177.1 | -76.1 | 176.9 | 0 | 0 | 0 | 111.4 | V211 L215 L225 I229 I267 L268 A269 Y275 G276 F288 F292 | V211-L271 HydrophobicContact CG2-CD2 4.36Å; L215-L271 HydrophobicContact CD1-CD2 4.12Å; L225-L271 HydrophobicContact CD1-CD1 4.35Å; I229-L271 HydrophobicContact CD1-CD1 4.2Å; I267-L271 HydrophobicContact CG2-CD1 3.81Å; I267-L271 HydrophobicContact CG2-CG 4.17Å; I267-L271 WeakPolarHBondContact O-CB 3.11Å; I267-L271 VanDerWaalsContact O-CG 3.25Å; I267-L271 WeakPolarHBondContact O-CG 3.26Å; I267-L271 PolarHBondContact O-N 3.01Å; L268-L271 PolarHBondContact O-N 2.74Å; A269-L271 VanDerWaalsContact C-N 3.35Å; A269-L271 PolarHBondContact O-N 3.18Å; L271-Y275 HydrophobicContact CD2-CD2 4.02Å; L271-Y275 CarbonylContact O-C 3.59Å; L271-Y275 PolarHBondContact O-N 3.14Å; L271-G276 WeakPolarHBondContact O-CA 3.42Å; L271-G276 PolarHBondContact O-N 3.18Å; L271-F288 HydrophobicContact CD2-CZ 4.49Å; L271-F292 HydrophobicContact CB-CE2 3.78Å; L271-F292 HydrophobicContact CB-CZ 4.07Å; L271-F292 HydrophobicContact CD1-CE2 4.39Å |
| 272 | F | 96.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -74 | -47 | -178.8 | -167.4 | -168.4 | 0 | 0 | 0 | 112.3 | L268 A269 R270 G276 S277 F292 L293 A297 Y328 Q331 H335 T338 | L268-F272 PolarHBondContact O-N 2.83Å; A269-F272 PolarHBondContact O-N 3.12Å; A269-F272 VanDerWaalsContact O-N 3.15Å; R270-F272 VanDerWaalsContact C-N 3.33Å; F272-G276 WeakPolarHBondContact CD2-O 3.47Å; F272-G276 WeakPolarHBondContact CE2-O 3.39Å; F272-G276 CarbonylContact O-C 3.57Å; F272-G276 WeakPolarHBondContact O-CA 3.38Å; F272-G276 PolarHBondContact O-N 2.99Å; F272-S277 PolarHBondContact O-N 3.18Å; F272-S277 PolarHBondContact O-OG 3.42Å; F272-F292 HydrophobicContact CB-CE1 3.62Å; F272-F292 HydrophobicContact CB-CZ 3.93Å; F272-F292 HydrophobicContact CD2-CD1 4.05Å; F272-F292 AromaticContact CD2-CE1 3.61Å; F272-F292 HydrophobicContact CD2-CE1 3.61Å; F272-F292 HydrophobicContact CE2-CE1 4.45Å; F272-F292 AromaticContact CG-CE1 3.72Å; F272-F292 HydrophobicContact CG-CE1 3.72Å; F272-F292 HydrophobicContact CG-CZ 4.47Å; F272-L293 HydrophobicContact CE2-CD1 3.99Å; F272-L293 HydrophobicContact CZ-CD1 4.15Å; F272-A297 HydrophobicContact CE2-CB 4.38Å; F272-A297 HydrophobicContact CZ-CB 4.21Å; F272-Y328 HydrophobicContact CB-CD2 4.2Å; F272-Y328 HydrophobicContact CB-CE2 3.68Å; F272-Y328 HydrophobicContact CD1-CD1 4.01Å; F272-Y328 HydrophobicContact CD1-CD2 4.11Å; F272-Y328 AromaticContact CD1-CE1 3.63Å; F272-Y328 HydrophobicContact CD1-CE1 3.63Å; F272-Y328 AromaticContact CD1-CE2 3.71Å; F272-Y328 HydrophobicContact CD1-CE2 3.71Å; F272-Y328 HydrophobicContact CD1-CG 4.23Å; F272-Y328 AromaticContact CD1-CZ 3.44Å; F272-Y328 VanDerWaalsContact CD1-CZ 3.44Å; F272-Y328 HydrophobicContact CE1-CD1 4.4Å; F272-Y328 AromaticContact CE1-CE1 3.95Å; F272-Y328 HydrophobicContact CE1-CE1 3.95Å; F272-Y328 HydrophobicContact CG-CE2 4.09Å; F272-Q331 HydrophobicContact CB-CG 4.44Å; F272-Q331 HydrophobicContact CD1-CB 3.72Å; F272-Q331 HydrophobicContact CD1-CG 3.77Å; F272-Q331 HydrophobicContact CD2-CG 3.96Å; F272-Q331 HydrophobicContact CE1-CB 3.88Å; F272-Q331 HydrophobicContact CE1-CG 3.95Å; F272-Q331 HydrophobicContact CE2-CG 4.11Å; F272-Q331 HydrophobicContact CG-CB 4.21Å; F272-Q331 HydrophobicContact CG-CG 3.78Å; F272-Q331 HydrophobicContact CZ-CB 4.47Å; F272-Q331 HydrophobicContact CZ-CG 4.11Å; F272-H335 AromaticContact CE2-CD2 3.81Å; F272-H335 AromaticContact CZ-CD2 3.82Å; F272-T338 HydrophobicContact CZ-CG2 4.15Å |
| 273 | E | 93.4 | Very high | 93.1 | Very high | 102 Ų | 102 | 28 Ų | 28 | 48% | 0.477 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -60.2 | -54.7 | 179.4 | 179.8 | -172 | -158.2 | 0 | 0 | 111.5 | A269 | A269-E273 VanDerWaalsContact O-CB 3.27Å; A269-E273 WeakPolarHBondContact O-CB 3.42Å; A269-E273 PolarHBondContact O-N 2.94Å |
| 274 | R | 92.4 | Very high | 92.6 | Very high | 98 Ų | 98 | 31.9 Ų | 31.9 | 37% | 0.37 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -90.8 | -27.2 | -168.6 | -167.9 | 172.2 | -177.1 | 141 | 11.3 | 115 | Q212 Y213 R270 V281 | Q212-R274 WeakPolarHBondContact O-CD 3.49Å; Q212-R274 PolarHBondContact O-NH1 3.42Å; Y213-R274 PolarHBondContact O-NE 3.18Å; Y213-R274 PolarHBondContact O-NH2 3.2Å; R270-R274 WeakPolarHBondContact O-CB 3.46Å; R270-R274 PolarHBondContact O-N 3.31Å; R274-V281 WeakPolarHBondContact O-CG1 3.31Å |
| 275 | Y | 94 | Very high | 92.3 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.3 | -16.5 | -173 | -47 | -67.9 | 0 | 0 | 0 | 113.6 | V211 Q212 Y213 T214 L215 L271 Y285 F288 A289 | V211-Y275 WeakPolarHBondContact O-CE2 3.46Å; V211-Y275 VanDerWaalsContact O-CZ 3.31Å; V211-Y275 PolarHBondContact O-OH 3.38Å; Q212-Y275 PolarHBondContact O-OH 3.46Å; Y213-Y275 PolarHBondContact O-OH 2.92Å; T214-Y275 WeakPolarHBondContact CA-OH 3.32Å; T214-Y275 PolarHBondContact N-OH 3.33Å; T214-Y275 VanDerWaalsContact N-OH 3.14Å; L215-Y275 HydrophobicContact CB-CD1 3.9Å; L215-Y275 HydrophobicContact CB-CD2 4.12Å; L215-Y275 HydrophobicContact CB-CE1 3.73Å; L215-Y275 HydrophobicContact CB-CE2 3.96Å; L215-Y275 HydrophobicContact CB-CG 4.08Å; L215-Y275 HydrophobicContact CD2-CD1 4.38Å; L215-Y275 HydrophobicContact CD2-CD2 4.25Å; L215-Y275 HydrophobicContact CD2-CG 3.98Å; L271-Y275 HydrophobicContact CD2-CD2 4.02Å; L271-Y275 CarbonylContact O-C 3.59Å; L271-Y275 PolarHBondContact O-N 3.14Å; Y275-Y285 HydrophobicContact CD1-CD1 4.15Å; Y275-Y285 AromaticContact CD1-CD2 3.72Å; Y275-Y285 HydrophobicContact CD1-CD2 3.72Å; Y275-Y285 HydrophobicContact CD1-CE1 4.23Å; Y275-Y285 AromaticContact CD1-CE2 3.82Å; Y275-Y285 HydrophobicContact CD1-CE2 3.82Å; Y275-Y285 AromaticContact CD1-CG 3.93Å; Y275-Y285 HydrophobicContact CD1-CG 3.93Å; Y275-Y285 HydrophobicContact CE1-CD2 4.19Å; Y275-Y285 HydrophobicContact CE1-CE1 4.44Å; Y275-Y285 AromaticContact CE1-CE2 3.81Å; Y275-Y285 HydrophobicContact CE1-CE2 3.81Å; Y275-Y285 AromaticContact CE1-CZ 3.96Å; Y275-F288 VanDerWaalsContact O-CD1 3.29Å; Y275-F288 WeakPolarHBondContact O-CD1 3.31Å; Y275-A289 WeakPolarHBondContact O-CA 3.24Å; Y275-A289 WeakPolarHBondContact O-CB 3.41Å |
| 276 | G | 93.3 | Very high | 92 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -103 | 9 | -167.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L271 F272 P278 F292 | L271-G276 WeakPolarHBondContact O-CA 3.42Å; L271-G276 PolarHBondContact O-N 3.18Å; F272-G276 WeakPolarHBondContact CD2-O 3.47Å; F272-G276 WeakPolarHBondContact CE2-O 3.39Å; F272-G276 CarbonylContact O-C 3.57Å; F272-G276 WeakPolarHBondContact O-CA 3.38Å; F272-G276 PolarHBondContact O-N 2.99Å; G276-P278 WeakPolarHBondContact O-CD 3.44Å; G276-F292 VanDerWaalsContact CA-CD1 3.49Å |
| 277 | S | 91.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -115.9 | 92.9 | -173.2 | -66.7 | 0 | 0 | 0 | 0 | 110.5 | F272 G279 N280 V281 Q331 H335 | F272-S277 PolarHBondContact O-N 3.18Å; F272-S277 PolarHBondContact O-OG 3.42Å; S277-G279 PolarHBondContact O-N 3.15Å; S277-N280 PolarHBondContact O-N 3Å; S277-V281 WeakPolarHBondContact O-CG1 3.44Å; S277-Q331 PolarHBondContact OG-NE2 3.18Å; S277-H335 VanDerWaalsContact CB-NE2 3.35Å; S277-H335 WeakPolarHBondContact CB-NE2 3.31Å; S277-H335 PolarHBondContact OG-NE2 3.05Å |
| 278 | P | 89.5 | Confident | 91.6 | Very high | 16 Ų | 16 | 42.5 Ų | 42.5 | 10% | 0.104 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | 138.7 | 177.8 | -25 | 34.2 | 0 | 0 | 0 | 111.4 | G276 N280 A289 E290 L293 | G276-P278 WeakPolarHBondContact O-CD 3.44Å; P278-N280 PolarHBondContact O-N 2.95Å; P278-A289 HydrophobicContact CB-CB 4.46Å; P278-A289 HydrophobicContact CG-CB 4Å; P278-E290 HydrophobicContact CB-CG 4.4Å; P278-E290 HydrophobicContact CG-CG 4.29Å; P278-L293 HydrophobicContact CG-CB 4.18Å; P278-L293 HydrophobicContact CG-CD2 3.82Å |
| 279 | G | 85.3 | Confident | 91.4 | Very high | 12 Ų | 12 | 42.4 Ų | 42.4 | 12% | 0.124 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | -23.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | S277 Q913 | S277-G279 PolarHBondContact O-N 3.15Å; G279-Q913 VanDerWaalsContact O-CG 3.25Å; G279-Q913 WeakPolarHBondContact O-CG 3.26Å; G279-Q913 PolarHBondContact O-NE2 3.47Å |
| 280 | N | 86.1 | Confident | 91.2 | Very high | 42 Ų | 42 | 45.9 Ų | 45.9 | 23% | 0.225 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -117.9 | 30.7 | -176.1 | -55.1 | -19.9 | 0 | 0 | 0 | 111.7 | S277 P278 D907 D909 | S277-N280 PolarHBondContact O-N 3Å; P278-N280 PolarHBondContact O-N 2.95Å; N280-D907 PolarHBondContact ND2-O 3.01Å; N280-D907 VanDerWaalsContact ND2-O 3.15Å; N280-D909 PolarHBondContact OD1-N 3.22Å |
| 281 | V | 88.9 | Confident | 91.1 | Very high | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.03 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -131.9 | 157.8 | 179.5 | -63.3 | 0 | 0 | 0 | 0 | 110.6 | R274 S277 N286 A289 | R274-V281 WeakPolarHBondContact O-CG1 3.31Å; S277-V281 WeakPolarHBondContact O-CG1 3.44Å; V281-N286 WeakPolarHBondContact CG2-OD1 3.45Å; V281-A289 HydrophobicContact CG1-CB 4.32Å; V281-A289 HydrophobicContact CG2-CB 3.88Å |
| 282 | S | 86.2 | Confident | 91.1 | Very high | 51 Ų | 51 | 45 Ų | 45 | 36% | 0.357 | 22% | 0.219 | S | C | . | . | trans | -63.1 | 153.9 | 172 | 63.3 | 0 | 0 | 0 | 0 | 111.6 | E284 Y285 | S282-E284 PolarHBondContact O-N 2.93Å; S282-E284 WeakPolarHBondContact OG-CG 3.44Å; S282-Y285 PolarHBondContact O-N 3.22Å; S282-Y285 WeakPolarHBondContact OG-CD2 3.34Å; S282-Y285 WeakPolarHBondContact OG-CE2 3.37Å | ||
| 283 | K | 87.2 | Confident | 91 | Very high | 133 Ų | 133 | 45.4 Ų | 45.4 | 58% | 0.578 | 22% | 0.222 | S | C | * | . | G | 310 helix | trans | -50.3 | -37.1 | -171.8 | -70.5 | 179.8 | 178.5 | 169.1 | 0 | 114.2 | Y285 N286 E917 | K283-Y285 VanDerWaalsContact C-N 3.29Å; K283-Y285 PolarHBondContact O-N 3.22Å; K283-N286 PolarHBondContact O-N 3.18Å; K283-E917 WeakPolarHBondContact CE-OE1 3.24Å; K283-E917 IonicContact NZ-OE1 2.61Å; K283-E917 PolarHBondContact NZ-OE1 3.37Å; K283-E917 IonicContact NZ-OE2 2.87Å; K283-E917 PolarHBondContact NZ-OE2 3.38Å |
| 284 | E | 87.6 | Confident | 91 | Very high | 116 Ų | 116 | 47.4 Ų | 47.4 | 54% | 0.542 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -66.1 | -25.3 | 179.9 | 59.5 | -175.8 | -151.5 | 0 | 0 | 114.2 | L217 S282 | L217-E284 WeakPolarHBondContact CD1-O 3.34Å; S282-E284 PolarHBondContact O-N 2.93Å; S282-E284 WeakPolarHBondContact OG-CG 3.44Å |
| 285 | Y | 91.8 | Very high | 91.1 | Very high | 15 Ų | 15 | 45.4 Ų | 45.4 | 6% | 0.059 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -98.2 | -1.3 | -178.7 | -59 | -56 | 0 | 0 | 0 | 114 | L215 L217 Y275 S282 K283 E287 F288 A289 | L215-Y285 HydrophobicContact CB-CD1 4.41Å; L215-Y285 HydrophobicContact CB-CE1 3.73Å; L215-Y285 HydrophobicContact CD2-CD1 4.32Å; L215-Y285 HydrophobicContact CD2-CE1 4.38Å; L215-Y285 HydrophobicContact CG-CE1 4.46Å; L215-Y285 PolarHBondContact N-OH 2.86Å; L215-Y285 WeakPolarHBondContact O-CE1 3.22Å; L217-Y285 HydrophobicContact CD1-CD1 4.05Å; L217-Y285 HydrophobicContact CD1-CE1 4.13Å; L217-Y285 HydrophobicContact CD2-CD1 4.04Å; L217-Y285 HydrophobicContact CD2-CE1 4.24Å; L217-Y285 HydrophobicContact CG-CD1 4.17Å; L217-Y285 HydrophobicContact CG-CE1 4.01Å; Y275-Y285 HydrophobicContact CD1-CD1 4.15Å; Y275-Y285 AromaticContact CD1-CD2 3.72Å; Y275-Y285 HydrophobicContact CD1-CD2 3.72Å; Y275-Y285 HydrophobicContact CD1-CE1 4.23Å; Y275-Y285 AromaticContact CD1-CE2 3.82Å; Y275-Y285 HydrophobicContact CD1-CE2 3.82Å; Y275-Y285 AromaticContact CD1-CG 3.93Å; Y275-Y285 HydrophobicContact CD1-CG 3.93Å; Y275-Y285 HydrophobicContact CE1-CD2 4.19Å; Y275-Y285 HydrophobicContact CE1-CE1 4.44Å; Y275-Y285 AromaticContact CE1-CE2 3.81Å; Y275-Y285 HydrophobicContact CE1-CE2 3.81Å; Y275-Y285 AromaticContact CE1-CZ 3.96Å; S282-Y285 PolarHBondContact O-N 3.22Å; S282-Y285 WeakPolarHBondContact OG-CD2 3.34Å; S282-Y285 WeakPolarHBondContact OG-CE2 3.37Å; K283-Y285 VanDerWaalsContact C-N 3.29Å; K283-Y285 PolarHBondContact O-N 3.22Å; Y285-E287 PolarHBondContact O-N 2.94Å; Y285-F288 CarbonylContact O-C 3.6Å; Y285-F288 WeakPolarHBondContact O-CA 3.25Å; Y285-F288 WeakPolarHBondContact O-CB 3.46Å; Y285-F288 PolarHBondContact O-N 2.93Å; Y285-A289 WeakPolarHBondContact O-CB 3.42Å; Y285-A289 PolarHBondContact O-N 3.01Å |
| 286 | N | 90.5 | Very high | 91.2 | Very high | 59 Ų | 59 | 45.9 Ų | 45.9 | 32% | 0.316 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -55.1 | -46.3 | -176.9 | -82.8 | -29.4 | 0 | 0 | 0 | 113.3 | V281 K283 F288 A289 E290 | V281-N286 WeakPolarHBondContact CG2-OD1 3.45Å; K283-N286 PolarHBondContact O-N 3.18Å; N286-F288 VanDerWaalsContact C-N 3.33Å; N286-F288 PolarHBondContact O-N 3.06Å; N286-A289 PolarHBondContact O-N 3.26Å; N286-E290 WeakPolarHBondContact O-CG 3.41Å; N286-E290 PolarHBondContact O-N 3.13Å; N286-E290 VanDerWaalsContact O-N 3.11Å |
| 287 | E | 90.8 | Very high | 91.3 | Very high | 161 Ų | 161 | 45.9 Ų | 45.9 | 75% | 0.752 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -64.6 | -40.4 | 176.8 | -174.7 | 178.2 | -178.1 | 0 | 0 | 111.5 | Y285 V291 | Y285-E287 PolarHBondContact O-N 2.94Å; E287-V291 WeakPolarHBondContact O-CG2 3.4Å; E287-V291 PolarHBondContact O-N 3.37Å; E287-V291 VanDerWaalsContact O-N 3.13Å |
| 288 | F | 93.3 | Very high | 91.5 | Very high | 19 Ų | 19 | 47.6 Ų | 47.6 | 8% | 0.083 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.7 | -44.9 | 176.7 | 177.6 | -82.9 | 0 | 0 | 0 | 111.3 | L215 L217 I220 L225 L271 Y275 Y285 N286 E290 V291 F292 | L215-F288 HydrophobicContact CD2-CD1 3.89Å; L215-F288 HydrophobicContact CD2-CD2 3.7Å; L215-F288 HydrophobicContact CD2-CE1 3.69Å; L215-F288 HydrophobicContact CD2-CE2 3.43Å; L215-F288 VanDerWaalsContact CD2-CE2 3.43Å; L215-F288 HydrophobicContact CD2-CG 3.92Å; L215-F288 HydrophobicContact CD2-CZ 3.45Å; L215-F288 VanDerWaalsContact CD2-CZ 3.45Å; L217-F288 HydrophobicContact CD2-CB 4.1Å; L217-F288 HydrophobicContact CD2-CD2 3.96Å; L217-F288 HydrophobicContact CD2-CG 4.26Å; I220-F288 HydrophobicContact CG2-CE2 4.24Å; L225-F288 HydrophobicContact CD1-CE2 4.35Å; L225-F288 HydrophobicContact CD1-CZ 4.23Å; L225-F288 HydrophobicContact CD2-CD2 4.32Å; L225-F288 HydrophobicContact CD2-CE2 3.42Å; L225-F288 VanDerWaalsContact CD2-CE2 3.42Å; L225-F288 HydrophobicContact CD2-CZ 3.65Å; L225-F288 HydrophobicContact CG-CE2 4.44Å; L271-F288 HydrophobicContact CD2-CZ 4.49Å; Y275-F288 VanDerWaalsContact O-CD1 3.29Å; Y275-F288 WeakPolarHBondContact O-CD1 3.31Å; Y285-F288 CarbonylContact O-C 3.6Å; Y285-F288 WeakPolarHBondContact O-CA 3.25Å; Y285-F288 WeakPolarHBondContact O-CB 3.46Å; Y285-F288 PolarHBondContact O-N 2.93Å; N286-F288 VanDerWaalsContact C-N 3.33Å; N286-F288 PolarHBondContact O-N 3.06Å; F288-E290 PolarHBondContact O-N 2.96Å; F288-V291 PolarHBondContact O-N 3.3Å; F288-F292 HydrophobicContact CD1-CB 4.37Å; F288-F292 HydrophobicContact CE1-CB 4.06Å; F288-F292 HydrophobicContact CE1-CD2 4.1Å; F288-F292 HydrophobicContact CE1-CG 4.34Å; F288-F292 HydrophobicContact CZ-CD2 4.21Å; F288-F292 VanDerWaalsContact O-CB 3.29Å; F288-F292 WeakPolarHBondContact O-CB 3.23Å; F288-F292 PolarHBondContact O-N 3.07Å |
| 289 | A | 93.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.9 | -45.9 | -179 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y275 P278 V281 Y285 N286 V291 F292 L293 | Y275-A289 WeakPolarHBondContact O-CA 3.24Å; Y275-A289 WeakPolarHBondContact O-CB 3.41Å; P278-A289 HydrophobicContact CB-CB 4.46Å; P278-A289 HydrophobicContact CG-CB 4Å; V281-A289 HydrophobicContact CG1-CB 4.32Å; V281-A289 HydrophobicContact CG2-CB 3.88Å; Y285-A289 WeakPolarHBondContact O-CB 3.42Å; Y285-A289 PolarHBondContact O-N 3.01Å; N286-A289 PolarHBondContact O-N 3.26Å; A289-V291 PolarHBondContact O-N 3.17Å; A289-F292 PolarHBondContact O-N 3.48Å; A289-L293 WeakPolarHBondContact O-CB 3.5Å; A289-L293 PolarHBondContact O-N 3.22Å |
| 290 | E | 93.1 | Very high | 92.3 | Very high | 78 Ų | 78 | 47.2 Ų | 47.2 | 36% | 0.364 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.2 | -46.1 | 176.6 | -79.2 | -70.1 | 169.4 | 0 | 0 | 112.1 | P278 N286 F288 K294 | P278-E290 HydrophobicContact CB-CG 4.4Å; P278-E290 HydrophobicContact CG-CG 4.29Å; N286-E290 WeakPolarHBondContact O-CG 3.41Å; N286-E290 PolarHBondContact O-N 3.13Å; N286-E290 VanDerWaalsContact O-N 3.11Å; F288-E290 PolarHBondContact O-N 2.96Å; E290-K294 WeakPolarHBondContact O-CB 3.33Å; E290-K294 WeakPolarHBondContact O-CG 3.41Å; E290-K294 PolarHBondContact O-N 3.07Å; E290-K294 VanDerWaalsContact O-N 3.17Å; E290-K294 WeakPolarHBondContact OE2-CE 3.34Å; E290-K294 IonicContact OE2-NZ 3.1Å; E290-K294 PolarHBondContact OE2-NZ 3.25Å |
| 291 | V | 92.5 | Very high | 92.7 | Very high | 36 Ų | 36 | 45.3 Ų | 45.3 | 22% | 0.218 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.3 | -43.1 | 176.1 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | Q222 E287 F288 A289 A295 F296 | Q222-V291 HydrophobicContact CG-CG1 3.85Å; E287-V291 WeakPolarHBondContact O-CG2 3.4Å; E287-V291 PolarHBondContact O-N 3.37Å; E287-V291 VanDerWaalsContact O-N 3.13Å; F288-V291 PolarHBondContact O-N 3.3Å; A289-V291 PolarHBondContact O-N 3.17Å; V291-A295 WeakPolarHBondContact O-CB 3.32Å; V291-A295 PolarHBondContact O-N 3.34Å; V291-F296 HydrophobicContact CG1-CE2 4.24Å |
| 292 | F | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.4 | -50.7 | -177.8 | -178.2 | -83.6 | 0 | 0 | 0 | 111.9 | I229 L271 F272 G276 F288 A289 K294 F296 A297 | I229-F292 HydrophobicContact CD1-CE2 4.12Å; L271-F292 HydrophobicContact CB-CE2 3.78Å; L271-F292 HydrophobicContact CB-CZ 4.07Å; L271-F292 HydrophobicContact CD1-CE2 4.39Å; F272-F292 HydrophobicContact CB-CE1 3.62Å; F272-F292 HydrophobicContact CB-CZ 3.93Å; F272-F292 HydrophobicContact CD2-CD1 4.05Å; F272-F292 AromaticContact CD2-CE1 3.61Å; F272-F292 HydrophobicContact CD2-CE1 3.61Å; F272-F292 HydrophobicContact CE2-CE1 4.45Å; F272-F292 AromaticContact CG-CE1 3.72Å; F272-F292 HydrophobicContact CG-CE1 3.72Å; F272-F292 HydrophobicContact CG-CZ 4.47Å; G276-F292 VanDerWaalsContact CA-CD1 3.49Å; F288-F292 HydrophobicContact CD1-CB 4.37Å; F288-F292 HydrophobicContact CE1-CB 4.06Å; F288-F292 HydrophobicContact CE1-CD2 4.1Å; F288-F292 HydrophobicContact CE1-CG 4.34Å; F288-F292 HydrophobicContact CZ-CD2 4.21Å; F288-F292 VanDerWaalsContact O-CB 3.29Å; F288-F292 WeakPolarHBondContact O-CB 3.23Å; F288-F292 PolarHBondContact O-N 3.07Å; A289-F292 PolarHBondContact O-N 3.48Å; F292-K294 PolarHBondContact O-N 3.17Å; F292-F296 HydrophobicContact CD2-CD2 4.13Å; F292-F296 PolarHBondContact O-N 2.92Å; F292-A297 HydrophobicContact CE1-CB 4.32Å; F292-A297 PolarHBondContact O-N 3.42Å; F292-A297 VanDerWaalsContact O-N 3.11Å |
| 293 | L | 94.9 | Very high | 93.5 | Very high | 9 Ų | 9 | 48.9 Ų | 48.9 | 5% | 0.047 | 25% | 0.246 | C | C | . | . | I | π-helix | trans | -59.5 | -48.7 | 179.6 | -177.6 | 64.2 | 0 | 0 | 0 | 110.8 | F272 P278 A289 A297 H335 L337 T338 | F272-L293 HydrophobicContact CE2-CD1 3.99Å; F272-L293 HydrophobicContact CZ-CD1 4.15Å; P278-L293 HydrophobicContact CG-CB 4.18Å; P278-L293 HydrophobicContact CG-CD2 3.82Å; A289-L293 WeakPolarHBondContact O-CB 3.5Å; A289-L293 PolarHBondContact O-N 3.22Å; L293-A297 HydrophobicContact CD1-CB 4.03Å; L293-A297 WeakPolarHBondContact O-CB 3.34Å; L293-H335 HydrophobicContact CD1-CB 3.83Å; L293-H335 HydrophobicContact CD2-CB 4.2Å; L293-L337 HydrophobicContact CG-CD2 4.19Å; L293-L337 WeakPolarHBondContact O-CD2 3.46Å; L293-T338 HydrophobicContact CD1-CG2 3.98Å |
| 294 | K | 93.9 | Very high | 94 | Very high | 143 Ų | 143 | 42.6 Ų | 42.6 | 62% | 0.622 | 22% | 0.219 | S | C | * | . | I | π-helix | trans | -71.6 | -39.4 | -176.1 | -73.1 | 170.1 | 176.2 | 151.9 | 0 | 113.7 | E290 F292 L337 | E290-K294 WeakPolarHBondContact O-CB 3.33Å; E290-K294 WeakPolarHBondContact O-CG 3.41Å; E290-K294 PolarHBondContact O-N 3.07Å; E290-K294 VanDerWaalsContact O-N 3.17Å; E290-K294 WeakPolarHBondContact OE2-CE 3.34Å; E290-K294 IonicContact OE2-NZ 3.1Å; E290-K294 PolarHBondContact OE2-NZ 3.25Å; F292-K294 PolarHBondContact O-N 3.17Å; K294-L337 HydrophobicContact CG-CD2 4.38Å |
| 295 | A | 93.9 | Very high | 94.4 | Very high | 56 Ų | 56 | 38.4 Ų | 38.4 | 46% | 0.463 | 20% | 0.2 | S | C | . | . | I | π-helix | trans | -94.5 | -33.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | V291 | V291-A295 WeakPolarHBondContact O-CB 3.32Å; V291-A295 PolarHBondContact O-N 3.34Å |
| 296 | F | 95.5 | Very high | 94.6 | Very high | 12 Ų | 12 | 41.3 Ų | 41.3 | 5% | 0.053 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -120 | -38.4 | -166.1 | -52.9 | -55 | 0 | 0 | 0 | 113.9 | L225 T226 I229 V291 F292 V298 G299 V300 | L225-F296 HydrophobicContact CD2-CD2 3.92Å; L225-F296 HydrophobicContact CD2-CE2 3.48Å; L225-F296 VanDerWaalsContact CD2-CE2 3.48Å; L225-F296 HydrophobicContact CD2-CZ 4.34Å; L225-F296 HydrophobicContact CG-CD2 4.34Å; L225-F296 HydrophobicContact CG-CE2 3.94Å; L225-F296 HydrophobicContact CG-CZ 4.43Å; T226-F296 HydrophobicContact CG2-CE1 4.11Å; T226-F296 VanDerWaalsContact OG1-CZ 3.31Å; T226-F296 WeakPolarHBondContact OG1-CZ 3.46Å; I229-F296 HydrophobicContact CB-CD1 4.22Å; I229-F296 HydrophobicContact CB-CG 4.49Å; I229-F296 HydrophobicContact CG1-CB 4.44Å; I229-F296 HydrophobicContact CG1-CD1 4.26Å; I229-F296 HydrophobicContact CG1-CD2 4.4Å; I229-F296 HydrophobicContact CG1-CG 4.09Å; I229-F296 HydrophobicContact CG2-CB 4.12Å; I229-F296 HydrophobicContact CG2-CD1 3.92Å; I229-F296 HydrophobicContact CG2-CG 4.18Å; V291-F296 HydrophobicContact CG1-CE2 4.24Å; F292-F296 HydrophobicContact CD2-CD2 4.13Å; F292-F296 PolarHBondContact O-N 2.92Å; F296-V298 PolarHBondContact O-N 3.07Å; F296-G299 PolarHBondContact O-N 3.42Å; F296-V300 WeakPolarHBondContact O-CG2 3.35Å; F296-V300 PolarHBondContact O-N 3.12Å |
| 297 | A | 95.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | I | π-helix | trans | -57.3 | -46.8 | -167.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | F272 F292 L293 G299 V300 Q301 Y328 T338 | F272-A297 HydrophobicContact CE2-CB 4.38Å; F272-A297 HydrophobicContact CZ-CB 4.21Å; F292-A297 HydrophobicContact CE1-CB 4.32Å; F292-A297 PolarHBondContact O-N 3.42Å; F292-A297 VanDerWaalsContact O-N 3.11Å; L293-A297 HydrophobicContact CD1-CB 4.03Å; L293-A297 WeakPolarHBondContact O-CB 3.34Å; A297-G299 PolarHBondContact O-N 3.02Å; A297-V300 PolarHBondContact O-N 3.15Å; A297-Q301 VanDerWaalsContact O-CB 3.3Å; A297-Q301 WeakPolarHBondContact O-CB 3.28Å; A297-Q301 PolarHBondContact O-N 2.89Å; A297-Y328 WeakPolarHBondContact CA-OH 3.3Å; A297-T338 HydrophobicContact CB-CG2 3.66Å |
| 298 | V | 95.5 | Very high | 95.1 | Very high | 36 Ų | 36 | 31.1 Ų | 31.1 | 22% | 0.218 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.2 | -40.5 | 177.5 | 179.6 | 0 | 0 | 0 | 0 | 111.9 | F296 Q301 Q302 L337 T338 N341 | F296-V298 PolarHBondContact O-N 3.07Å; V298-Q301 WeakPolarHBondContact O-CB 3.43Å; V298-Q301 PolarHBondContact O-N 3.5Å; V298-Q302 WeakPolarHBondContact O-CG 3.5Å; V298-Q302 PolarHBondContact O-N 3.22Å; V298-Q302 VanDerWaalsContact O-N 3.09Å; V298-L337 HydrophobicContact CG2-CD1 4.4Å; V298-L337 HydrophobicContact CG2-CD2 4.22Å; V298-L337 HydrophobicContact CG2-CG 3.87Å; V298-T338 HydrophobicContact CG2-CG2 4.3Å; V298-N341 HydrophobicContact CG1-CB 4.36Å; V298-N341 WeakPolarHBondContact CG1-ND2 3.33Å |
| 299 | G | 95.2 | Very high | 95.2 | Very high | 20 Ų | 20 | 36.7 Ų | 36.7 | 21% | 0.206 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.1 | -35.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | F296 A297 | F296-G299 PolarHBondContact O-N 3.42Å; A297-G299 PolarHBondContact O-N 3.02Å |
| 300 | V | 97.2 | Very high | 95.2 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.1 | -48.3 | 172.3 | 174.5 | 0 | 0 | 0 | 0 | 109.8 | I229 K233 L268 F296 A297 Q302 V303 L304 Y328 | I229-V300 HydrophobicContact CG2-CG2 4.07Å; K233-V300 HydrophobicContact CD-CG2 4.08Å; K233-V300 HydrophobicContact CG-CG2 4.05Å; L268-V300 HydrophobicContact CB-CG1 4.43Å; L268-V300 HydrophobicContact CD1-CG1 3.9Å; L268-V300 HydrophobicContact CD2-CG1 4.14Å; L268-V300 HydrophobicContact CD2-CG2 3.86Å; L268-V300 HydrophobicContact CG-CG1 4.39Å; F296-V300 WeakPolarHBondContact O-CG2 3.35Å; F296-V300 PolarHBondContact O-N 3.12Å; A297-V300 PolarHBondContact O-N 3.15Å; V300-Q302 PolarHBondContact O-N 3.4Å; V300-V303 WeakPolarHBondContact O-CA 3.43Å; V300-V303 WeakPolarHBondContact O-CB 3.4Å; V300-V303 PolarHBondContact O-N 3.26Å; V300-L304 HydrophobicContact CG1-CD1 4.2Å; V300-L304 HydrophobicContact CG1-CG 4.18Å; V300-L304 WeakPolarHBondContact O-CG 3.45Å; V300-L304 PolarHBondContact O-N 3Å; V300-Y328 HydrophobicContact CB-CE1 4.12Å; V300-Y328 HydrophobicContact CB-CE2 4.44Å; V300-Y328 WeakPolarHBondContact CB-OH 3.13Å; V300-Y328 HydrophobicContact CG1-CD1 4.32Å; V300-Y328 HydrophobicContact CG1-CD2 4.28Å; V300-Y328 HydrophobicContact CG1-CE1 3.73Å; V300-Y328 HydrophobicContact CG1-CE2 3.72Å; V300-Y328 VanDerWaalsContact CG1-CZ 3.42Å |
| 301 | Q | 95.5 | Very high | 95.3 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -52.6 | -40.3 | 178.3 | -172.5 | -173.8 | 49 | 0 | 0 | 112.6 | A297 V298 V303 L304 L305 I329 T338 N341 | A297-Q301 VanDerWaalsContact O-CB 3.3Å; A297-Q301 WeakPolarHBondContact O-CB 3.28Å; A297-Q301 PolarHBondContact O-N 2.89Å; V298-Q301 WeakPolarHBondContact O-CB 3.43Å; V298-Q301 PolarHBondContact O-N 3.5Å; Q301-V303 VanDerWaalsContact C-N 3.34Å; Q301-V303 PolarHBondContact O-N 3.25Å; Q301-L304 PolarHBondContact O-N 2.95Å; Q301-L305 WeakPolarHBondContact O-CG 3.32Å; Q301-L305 PolarHBondContact O-N 3.02Å; Q301-I329 HydrophobicContact CG-CD1 3.85Å; Q301-T338 PolarHBondContact NE2-O 3.07Å; Q301-T338 PolarHBondContact OE1-O 2.83Å; Q301-N341 PolarHBondContact OE1-ND2 2.86Å |
| 302 | Q | 95.6 | Very high | 95.4 | Very high | 113 Ų | 113 | 39 Ų | 39 | 53% | 0.528 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.7 | -38.6 | 176 | -73.4 | 174.6 | 1 | 0 | 0 | 113.4 | V298 V300 L304 K306 | V298-Q302 WeakPolarHBondContact O-CG 3.5Å; V298-Q302 PolarHBondContact O-N 3.22Å; V298-Q302 VanDerWaalsContact O-N 3.09Å; V300-Q302 PolarHBondContact O-N 3.4Å; Q302-L304 VanDerWaalsContact C-N 3.34Å; Q302-K306 PolarHBondContact O-N 2.91Å |
| 303 | V | 96.2 | Very high | 95.4 | Very high | 19 Ų | 19 | 43.8 Ų | 43.8 | 12% | 0.115 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.1 | -40.1 | 175.2 | 177.5 | 0 | 0 | 0 | 0 | 110.2 | K233 V236 N237 V300 Q301 K306 V307 | K233-V303 HydrophobicContact CB-CG2 4.31Å; K233-V303 HydrophobicContact CG-CG2 4.27Å; V236-V303 HydrophobicContact CB-CG1 4.02Å; V236-V303 HydrophobicContact CG1-CG1 3.74Å; N237-V303 HydrophobicContact CB-CG1 3.79Å; V300-V303 WeakPolarHBondContact O-CA 3.43Å; V300-V303 WeakPolarHBondContact O-CB 3.4Å; V300-V303 PolarHBondContact O-N 3.26Å; Q301-V303 VanDerWaalsContact C-N 3.34Å; Q301-V303 PolarHBondContact O-N 3.25Å; V303-K306 WeakPolarHBondContact O-CB 3.23Å; V303-K306 PolarHBondContact O-N 3.36Å; V303-V307 PolarHBondContact O-N 3.48Å |
| 304 | L | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.8 | -37.7 | 179.1 | -62.3 | -163.1 | 0 | 0 | 0 | 112.8 | V236 L265 V300 Q301 Q302 K306 V307 L308 T325 Y328 I329 | V236-L304 HydrophobicContact CG1-CD2 3.91Å; L265-L304 HydrophobicContact CD2-CD2 3.27Å; V300-L304 HydrophobicContact CG1-CD1 4.2Å; V300-L304 HydrophobicContact CG1-CG 4.18Å; V300-L304 WeakPolarHBondContact O-CG 3.45Å; V300-L304 PolarHBondContact O-N 3Å; Q301-L304 PolarHBondContact O-N 2.95Å; Q302-L304 VanDerWaalsContact C-N 3.34Å; L304-K306 PolarHBondContact O-N 2.88Å; L304-V307 WeakPolarHBondContact O-CA 3.49Å; L304-V307 WeakPolarHBondContact O-CB 3.42Å; L304-V307 PolarHBondContact O-N 3.03Å; L304-L308 PolarHBondContact O-N 2.65Å; L304-T325 HydrophobicContact CB-CG2 3.88Å; L304-T325 HydrophobicContact CD1-CG2 4.37Å; L304-T325 HydrophobicContact CD2-CG2 4.32Å; L304-T325 HydrophobicContact CG-CG2 4.39Å; L304-Y328 VanDerWaalsContact CD1-CB 3.44Å; L304-Y328 HydrophobicContact CD1-CD1 3.37Å; L304-Y328 HydrophobicContact CD1-CD2 4.22Å; L304-Y328 HydrophobicContact CD1-CE1 4.21Å; L304-Y328 HydrophobicContact CD1-CG 3.39Å; L304-I329 HydrophobicContact CB-CD1 4.13Å |
| 305 | L | 96.4 | Very high | 95.1 | Very high | 28 Ų | 28 | 50.7 Ų | 50.7 | 15% | 0.147 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.5 | -33.6 | 172.7 | -71.8 | 173.2 | 0 | 0 | 0 | 112 | Q301 Y309 L342 H345 I349 | Q301-L305 WeakPolarHBondContact O-CG 3.32Å; Q301-L305 PolarHBondContact O-N 3.02Å; L305-Y309 WeakPolarHBondContact O-CB 3.36Å; L305-Y309 PolarHBondContact O-N 2.95Å; L305-L342 HydrophobicContact CD2-CD1 4.24Å; L305-H345 HydrophobicContact CD2-CB 4.15Å; L305-I349 HydrophobicContact CD2-CD1 3.76Å |
| 306 | K | 95.2 | Very high | 95 | Very high | 76 Ų | 76 | 49.9 Ų | 49.9 | 33% | 0.33 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.7 | -41.7 | 171.9 | -176.2 | -167.7 | 167.1 | -166.1 | 0 | 111.5 | N237 D239 Q302 V303 L304 L308 Y309 Q310 | N237-K306 PolarHBondContact O-NZ 2.87Å; N237-K306 VanDerWaalsContact O-NZ 3.17Å; N237-K306 WeakPolarHBondContact OD1-CD 3.41Å; N237-K306 PolarHBondContact OD1-NZ 3.34Å; D239-K306 IonicContact OD1-NZ 3.28Å; Q302-K306 PolarHBondContact O-N 2.91Å; V303-K306 WeakPolarHBondContact O-CB 3.23Å; V303-K306 PolarHBondContact O-N 3.36Å; L304-K306 PolarHBondContact O-N 2.88Å; K306-L308 VanDerWaalsContact C-N 3.35Å; K306-Y309 WeakPolarHBondContact O-CB 2.75Å; K306-Y309 PolarHBondContact O-N 3.14Å; K306-Q310 WeakPolarHBondContact O-CG 3.4Å; K306-Q310 PolarHBondContact O-N 3.32Å |
| 307 | V | 95.7 | Very high | 94.9 | Very high | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.2 | -46.2 | 176.4 | 177.8 | 0 | 0 | 0 | 0 | 110.5 | V236 V303 L304 Y309 Q310 Y311 M317 V321 T325 | V236-V307 HydrophobicContact CG1-CG2 3.87Å; V303-V307 PolarHBondContact O-N 3.48Å; L304-V307 WeakPolarHBondContact O-CA 3.49Å; L304-V307 WeakPolarHBondContact O-CB 3.42Å; L304-V307 PolarHBondContact O-N 3.03Å; V307-Y309 VanDerWaalsContact C-N 3.33Å; V307-Y309 PolarHBondContact O-N 3.47Å; V307-Q310 WeakPolarHBondContact O-CB 3.45Å; V307-Q310 PolarHBondContact O-N 2.95Å; V307-Y311 PolarHBondContact O-N 3.4Å; V307-M317 HydrophobicContact CG1-CE 4.32Å; V307-M317 HydrophobicContact CG1-SD 4.12Å; V307-V321 HydrophobicContact CG1-CG1 4.32Å; V307-T325 HydrophobicContact CB-CG2 4.38Å; V307-T325 HydrophobicContact CG1-CG2 4.4Å |
| 308 | L | 96.8 | Very high | 94.8 | Very high | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.8 | -38.6 | 175.8 | -63.3 | -172 | 0 | 0 | 0 | 112.4 | L304 K306 Y311 K312 L322 T325 L326 I329 I349 V353 | L304-L308 PolarHBondContact O-N 2.65Å; K306-L308 VanDerWaalsContact C-N 3.35Å; L308-Y311 PolarHBondContact O-N 2.98Å; L308-K312 PolarHBondContact O-N 3.15Å; L308-L322 HydrophobicContact CD2-CD1 3.78Å; L308-T325 HydrophobicContact CD2-CG2 3.63Å; L308-T325 HydrophobicContact CG-CG2 3.89Å; L308-L326 HydrophobicContact CD2-CD2 4.23Å; L308-I329 HydrophobicContact CD1-CG1 4.23Å; L308-I349 HydrophobicContact CD1-CD1 4.04Å; L308-I349 HydrophobicContact CD1-CG1 4.12Å; L308-I349 HydrophobicContact CD1-CG2 4.18Å; L308-V353 HydrophobicContact CB-CG2 4.3Å; L308-V353 HydrophobicContact CD2-CG1 4.18Å |
| 309 | Y | 95.3 | Very high | 94.7 | Very high | 135 Ų | 135 | 51.3 Ų | 51.3 | 53% | 0.529 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.2 | -40.9 | 174.4 | -175.5 | -89 | 0 | 0 | 0 | 112.2 | L305 K306 V307 K312 E313 | L305-Y309 WeakPolarHBondContact O-CB 3.36Å; L305-Y309 PolarHBondContact O-N 2.95Å; K306-Y309 WeakPolarHBondContact O-CB 2.75Å; K306-Y309 PolarHBondContact O-N 3.14Å; V307-Y309 VanDerWaalsContact C-N 3.33Å; V307-Y309 PolarHBondContact O-N 3.47Å; Y309-K312 WeakPolarHBondContact O-CB 3.25Å; Y309-K312 PolarHBondContact O-N 3.29Å; Y309-E313 HydrophobicContact CD1-CG 4.04Å; Y309-E313 HydrophobicContact CE1-CG 3.53Å; Y309-E313 WeakPolarHBondContact O-CG 3.35Å; Y309-E313 PolarHBondContact O-N 3.49Å; Y309-E313 PolarHBondContact OH-OE1 2.91Å |
| 310 | Q | 94.2 | Very high | 94.6 | Very high | 16 Ų | 16 | 53.2 Ų | 53.2 | 8% | 0.075 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.2 | -41.5 | 175.8 | -74.2 | 175 | -46 | 0 | 0 | 111.6 | D239 K306 V307 E313 K314 Q315 M317 | D239-Q310 PolarHBondContact OD1-NE2 3.22Å; K306-Q310 WeakPolarHBondContact O-CG 3.4Å; K306-Q310 PolarHBondContact O-N 3.32Å; V307-Q310 WeakPolarHBondContact O-CB 3.45Å; V307-Q310 PolarHBondContact O-N 2.95Å; Q310-E313 CarbonylContact O-C 3.58Å; Q310-E313 PolarHBondContact O-N 2.95Å; Q310-K314 PolarHBondContact O-N 2.91Å; Q310-Q315 HydrophobicContact CB-CB 4.32Å; Q310-Q315 VanDerWaalsContact O-CB 3.29Å; Q310-Q315 WeakPolarHBondContact O-CB 3.4Å; Q310-Q315 PolarHBondContact O-N 2.72Å; Q310-M317 HydrophobicContact CB-CE 3.24Å; Q310-M317 HydrophobicContact CG-CE 4.16Å |
| 311 | Y | 94.8 | Very high | 94.6 | Very high | 58 Ų | 58 | 53.3 Ų | 53.3 | 23% | 0.227 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60 | -46.6 | 172.9 | 177.2 | -99.4 | 0 | 0 | 0 | 111.7 | V307 L308 E313 K314 M317 L322 V353 L357 | V307-Y311 PolarHBondContact O-N 3.4Å; L308-Y311 PolarHBondContact O-N 2.98Å; Y311-E313 PolarHBondContact O-N 2.82Å; Y311-K314 WeakPolarHBondContact O-CA 3.44Å; Y311-K314 PolarHBondContact O-N 3.18Å; Y311-M317 HydrophobicContact CD2-CB 4.34Å; Y311-M317 HydrophobicContact CD2-CG 4.42Å; Y311-L322 HydrophobicContact CD1-CD2 4.45Å; Y311-L322 HydrophobicContact CD2-CD1 4.5Å; Y311-L322 HydrophobicContact CD2-CD2 3.74Å; Y311-L322 HydrophobicContact CE1-CD2 4.3Å; Y311-L322 HydrophobicContact CE2-CD2 3.55Å; Y311-L322 HydrophobicContact CG-CD1 4.26Å; Y311-L322 HydrophobicContact CG-CD2 4.19Å; Y311-V353 HydrophobicContact CD1-CB 4.43Å; Y311-V353 HydrophobicContact CD1-CG1 3.91Å; Y311-V353 HydrophobicContact CD1-CG2 4.3Å; Y311-V353 HydrophobicContact CE1-CG1 4.09Å; Y311-L357 HydrophobicContact CE1-CG 4.4Å; Y311-L357 VanDerWaalsContact OH-CD2 3.27Å; Y311-L357 WeakPolarHBondContact OH-CD2 3.45Å |
| 312 | K | 93.7 | Very high | 94.6 | Very high | 88 Ų | 88 | 53.4 Ų | 53.4 | 38% | 0.383 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -54.6 | -39.7 | 173.8 | 166.5 | 179.8 | 177.5 | 164.2 | 0 | 112.6 | L308 Y309 K314 D352 | L308-K312 PolarHBondContact O-N 3.15Å; Y309-K312 WeakPolarHBondContact O-CB 3.25Å; Y309-K312 PolarHBondContact O-N 3.29Å; K312-K314 PolarHBondContact O-N 3.3Å; K312-K314 VanDerWaalsContact O-N 3.14Å; K312-D352 HydrophobicContact CB-CB 4.41Å; K312-D352 HydrophobicContact CD-CB 3.72Å; K312-D352 WeakPolarHBondContact CE-OD2 3.36Å; K312-D352 HydrophobicContact CG-CB 3.96Å; K312-D352 IonicContact NZ-OD2 2.61Å; K312-D352 PolarHBondContact NZ-OD2 2.93Å |
| 313 | E | 94.5 | Very high | 94.6 | Very high | 101 Ų | 101 | 48.4 Ų | 48.4 | 47% | 0.472 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 13.5 | 176.1 | -65.8 | -67.5 | 149.9 | 0 | 0 | 113.4 | Y309 Q310 Y311 Q315 | Y309-E313 HydrophobicContact CD1-CG 4.04Å; Y309-E313 HydrophobicContact CE1-CG 3.53Å; Y309-E313 WeakPolarHBondContact O-CG 3.35Å; Y309-E313 PolarHBondContact O-N 3.49Å; Y309-E313 PolarHBondContact OH-OE1 2.91Å; Q310-E313 CarbonylContact O-C 3.58Å; Q310-E313 PolarHBondContact O-N 2.95Å; Y311-E313 PolarHBondContact O-N 2.82Å; E313-Q315 PolarHBondContact O-N 3.04Å |
| 314 | K | 90.3 | Very high | 94.7 | Very high | 199 Ų | 199 | 48 Ų | 48 | 87% | 0.865 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 27.9 | -179.4 | -54 | -173.4 | 174.5 | -166.5 | 0 | 113.9 | Q310 Y311 K312 | Q310-K314 PolarHBondContact O-N 2.91Å; Y311-K314 WeakPolarHBondContact O-CA 3.44Å; Y311-K314 PolarHBondContact O-N 3.18Å; K312-K314 PolarHBondContact O-N 3.3Å; K312-K314 VanDerWaalsContact O-N 3.14Å |
| 315 | Q | 92.6 | Very high | 94.7 | Very high | 98 Ų | 98 | 48 Ų | 48 | 46% | 0.458 | 22% | 0.215 | S | C | . | . | trans | -77.2 | 132.6 | 166.8 | -58.3 | -175.9 | 5.1 | 0 | 0 | 108.6 | Q310 E313 M317 | Q310-Q315 HydrophobicContact CB-CB 4.32Å; Q310-Q315 VanDerWaalsContact O-CB 3.29Å; Q310-Q315 WeakPolarHBondContact O-CB 3.4Å; Q310-Q315 PolarHBondContact O-N 2.72Å; E313-Q315 PolarHBondContact O-N 3.04Å; Q315-M317 PolarHBondContact O-N 3.48Å | ||
| 316 | Y | 91.9 | Very high | 94.8 | Very high | 40 Ų | 40 | 46.7 Ų | 46.7 | 16% | 0.157 | 21% | 0.208 | C | C | . | . | trans | -56 | 133.5 | 177.6 | 175.6 | -98.9 | 0 | 0 | 0 | 110.7 | E249 R252 P253 W258 | E249-Y316 HydrophobicContact CG-CD2 4.08Å; E249-Y316 HydrophobicContact CG-CE2 3.6Å; R252-Y316 HydrophobicContact CB-CE1 3.59Å; R252-Y316 HydrophobicContact CG-CE1 4.23Å; P253-Y316 WeakPolarHBondContact CD-OH 3.25Å; P253-Y316 WeakPolarHBondContact CG-OH 3.42Å; W258-Y316 HydrophobicContact CD2-CE1 4.45Å; W258-Y316 AromaticContact CE2-CD1 3.89Å; W258-Y316 AromaticContact CE2-CE1 3.76Å; W258-Y316 HydrophobicContact CH2-CD1 4.34Å; W258-Y316 WeakPolarHBondContact CH2-O 3.43Å; W258-Y316 AromaticContact CZ2-CD1 3.58Å; W258-Y316 HydrophobicContact CZ2-CD1 3.58Å; W258-Y316 AromaticContact CZ2-CE1 3.93Å; W258-Y316 HydrophobicContact CZ2-CE1 3.93Å; W258-Y316 AromaticContact NE1-CE1 3.73Å | ||
| 317 | M | 93 | Very high | 94.8 | Very high | 16 Ų | 16 | 45.5 Ų | 45.5 | 8% | 0.079 | 21% | 0.206 | C | C | . | . | trans | -132.3 | 127.8 | 173.9 | -70.2 | -62.7 | 171.2 | 0 | 0 | 108.4 | W258 V307 Q310 Y311 Q315 | W258-M317 HydrophobicContact CH2-SD 3.71Å; W258-M317 HydrophobicContact CZ3-SD 3.78Å; V307-M317 HydrophobicContact CG1-CE 4.32Å; V307-M317 HydrophobicContact CG1-SD 4.12Å; Q310-M317 HydrophobicContact CB-CE 3.24Å; Q310-M317 HydrophobicContact CG-CE 4.16Å; Y311-M317 HydrophobicContact CD2-CB 4.34Å; Y311-M317 HydrophobicContact CD2-CG 4.42Å; Q315-M317 PolarHBondContact O-N 3.48Å | ||
| 318 | A | 93.8 | Very high | 94.9 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 3% | 0.033 | 21% | 0.205 | C | C | . | . | trans | -58.2 | 136.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | W258 R320 V321 L322 | W258-A318 HydrophobicContact CB-CB 3.93Å; W258-A318 HydrophobicContact CD2-CB 3.73Å; W258-A318 HydrophobicContact CE3-CB 3.58Å; W258-A318 HydrophobicContact CG-CB 3.89Å; W258-A318 HydrophobicContact CZ3-CB 4.35Å; A318-R320 VanDerWaalsContact C-N 3.32Å; A318-R320 PolarHBondContact O-N 3.45Å; A318-V321 HydrophobicContact CB-CB 4.46Å; A318-V321 HydrophobicContact CB-CG2 4.24Å; A318-V321 WeakPolarHBondContact O-CA 3.01Å; A318-V321 WeakPolarHBondContact O-CB 3.49Å; A318-V321 PolarHBondContact O-N 3.46Å; A318-L322 PolarHBondContact O-N 3Å | ||
| 319 | P | 93.1 | Very high | 95 | Very high | 58 Ų | 58 | 45.3 Ų | 45.3 | 38% | 0.377 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -50.6 | -48.5 | -174.7 | -31.3 | 35.6 | 0 | 0 | 0 | 113.2 | V321 L322 Q323 P389 | P319-V321 VanDerWaalsContact C-N 3.25Å; P319-V321 PolarHBondContact O-N 2.81Å; P319-L322 WeakPolarHBondContact O-CB 3.4Å; P319-L322 PolarHBondContact O-N 3.09Å; P319-Q323 WeakPolarHBondContact O-CB 3.48Å; P319-Q323 PolarHBondContact O-N 3.02Å; P319-P389 HydrophobicContact CB-CG 3.78Å; P319-P389 WeakPolarHBondContact O-CG 3.47Å |
| 320 | R | 94.1 | Very high | 95 | Very high | 60 Ų | 60 | 40 Ų | 40 | 23% | 0.226 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.1 | -26.3 | 178.8 | -62.5 | -68.2 | -67.9 | 158.3 | -7.4 | 114.3 | K262 A318 Q324 F386 | K262-R320 HydrophobicContact CD-CB 3.73Å; K262-R320 HydrophobicContact CD-CG 4.17Å; K262-R320 HydrophobicContact CG-CB 3.82Å; A318-R320 VanDerWaalsContact C-N 3.32Å; A318-R320 PolarHBondContact O-N 3.45Å; R320-Q324 WeakPolarHBondContact O-CB 3.28Å; R320-Q324 VanDerWaalsContact O-CG 3.23Å; R320-Q324 WeakPolarHBondContact O-CG 3.34Å; R320-Q324 PolarHBondContact O-N 3.2Å; R320-F386 PolarHBondContact NH1-O 3.46Å |
| 321 | V | 96.4 | Very high | 95 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.012 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -73.2 | -43.7 | 173.9 | 167.7 | 0 | 0 | 0 | 0 | 109.7 | W258 K261 K262 L265 V307 A318 P319 T325 | W258-V321 HydrophobicContact CE3-CG2 4.04Å; W258-V321 HydrophobicContact CZ3-CG1 4.45Å; K261-V321 HydrophobicContact CB-CG2 3.89Å; K262-V321 HydrophobicContact CB-CG2 4.26Å; L265-V321 HydrophobicContact CD1-CB 4.09Å; L265-V321 HydrophobicContact CD1-CG1 3.56Å; L265-V321 HydrophobicContact CD1-CG2 4.36Å; L265-V321 VanDerWaalsContact CD1-O 3.3Å; L265-V321 WeakPolarHBondContact CD1-O 3.12Å; V307-V321 HydrophobicContact CG1-CG1 4.32Å; A318-V321 HydrophobicContact CB-CB 4.46Å; A318-V321 HydrophobicContact CB-CG2 4.24Å; A318-V321 WeakPolarHBondContact O-CA 3.01Å; A318-V321 WeakPolarHBondContact O-CB 3.49Å; A318-V321 PolarHBondContact O-N 3.46Å; P319-V321 VanDerWaalsContact C-N 3.25Å; P319-V321 PolarHBondContact O-N 2.81Å; V321-T325 VanDerWaalsContact O-CB 3.32Å; V321-T325 WeakPolarHBondContact O-CB 3.27Å; V321-T325 PolarHBondContact O-N 3.22Å; V321-T325 PolarHBondContact O-OG1 3.35Å |
| 322 | L | 96.2 | Very high | 95 | Very high | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65 | -46.4 | 176.9 | -172.9 | 56.7 | 0 | 0 | 0 | 111.2 | L308 Y311 A318 P319 Q324 T325 L326 V353 L357 P389 | L308-L322 HydrophobicContact CD2-CD1 3.78Å; Y311-L322 HydrophobicContact CD1-CD2 4.45Å; Y311-L322 HydrophobicContact CD2-CD1 4.5Å; Y311-L322 HydrophobicContact CD2-CD2 3.74Å; Y311-L322 HydrophobicContact CE1-CD2 4.3Å; Y311-L322 HydrophobicContact CE2-CD2 3.55Å; Y311-L322 HydrophobicContact CG-CD1 4.26Å; Y311-L322 HydrophobicContact CG-CD2 4.19Å; A318-L322 PolarHBondContact O-N 3Å; P319-L322 WeakPolarHBondContact O-CB 3.4Å; P319-L322 PolarHBondContact O-N 3.09Å; L322-Q324 PolarHBondContact O-N 3.49Å; L322-T325 WeakPolarHBondContact O-CB 3.46Å; L322-T325 PolarHBondContact O-N 3.03Å; L322-T325 VanDerWaalsContact O-N 3.15Å; L322-L326 HydrophobicContact CG-CD1 4.27Å; L322-L326 WeakPolarHBondContact O-CG 3.32Å; L322-L326 PolarHBondContact O-N 3.19Å; L322-V353 HydrophobicContact CD1-CG1 4.43Å; L322-L357 HydrophobicContact CD2-CD1 3.96Å; L322-L357 HydrophobicContact CD2-CD2 3.82Å; L322-L357 HydrophobicContact CD2-CG 4.39Å; L322-L357 HydrophobicContact CG-CD1 4.4Å; L322-P389 HydrophobicContact CB-CB 4.45Å; L322-P389 HydrophobicContact CD2-CB 4.2Å; L322-P389 HydrophobicContact CG-CB 4.28Å |
| 323 | Q | 96.2 | Very high | 95.1 | Very high | 8 Ų | 8 | 34 Ų | 34 | 4% | 0.037 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56.2 | -52.7 | 177.4 | -177.2 | -102.3 | -2.9 | 0 | 0 | 112.4 | P319 T325 L326 N327 F386 S388 P389 A392 | P319-Q323 WeakPolarHBondContact O-CB 3.48Å; P319-Q323 PolarHBondContact O-N 3.02Å; Q323-T325 VanDerWaalsContact C-N 3.28Å; Q323-T325 PolarHBondContact O-N 3.07Å; Q323-L326 PolarHBondContact O-N 3.2Å; Q323-N327 PolarHBondContact NE2-ND2 3.41Å; Q323-N327 PolarHBondContact O-N 3.03Å; Q323-N327 PolarHBondContact O-OD1 3.08Å; Q323-F386 PolarHBondContact NE2-O 2.68Å; Q323-S388 WeakPolarHBondContact CG-O 3.47Å; Q323-P389 HydrophobicContact CB-CB 4.46Å; Q323-P389 HydrophobicContact CB-CG 4.31Å; Q323-A392 HydrophobicContact CG-CB 3.92Å |
| 324 | Q | 96.6 | Very high | 94.9 | Very high | 10 Ų | 10 | 29.5 Ų | 29.5 | 5% | 0.047 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.3 | -30.2 | 177.6 | -66.2 | -65.6 | -41.3 | 0 | 0 | 113.2 | L265 H266 R320 L322 Y328 | L265-Q324 HydrophobicContact CB-CB 3.66Å; L265-Q324 HydrophobicContact CB-CG 4.49Å; L265-Q324 HydrophobicContact CD1-CB 4.43Å; H266-Q324 PolarHBondContact CD2-OE1 3.41Å; R320-Q324 WeakPolarHBondContact O-CB 3.28Å; R320-Q324 VanDerWaalsContact O-CG 3.23Å; R320-Q324 WeakPolarHBondContact O-CG 3.34Å; R320-Q324 PolarHBondContact O-N 3.2Å; L322-Q324 PolarHBondContact O-N 3.49Å; Q324-Y328 PolarHBondContact O-N 3.42Å; Q324-Y328 VanDerWaalsContact O-N 3.12Å |
| 325 | T | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64 | -46.3 | 173.3 | -60.1 | 0 | 0 | 0 | 0 | 110.2 | L265 L304 V307 L308 V321 L322 Q323 Y328 I329 | L265-T325 WeakPolarHBondContact CD1-OG1 3.45Å; L304-T325 HydrophobicContact CB-CG2 3.88Å; L304-T325 HydrophobicContact CD1-CG2 4.37Å; L304-T325 HydrophobicContact CD2-CG2 4.32Å; L304-T325 HydrophobicContact CG-CG2 4.39Å; V307-T325 HydrophobicContact CB-CG2 4.38Å; V307-T325 HydrophobicContact CG1-CG2 4.4Å; L308-T325 HydrophobicContact CD2-CG2 3.63Å; L308-T325 HydrophobicContact CG-CG2 3.89Å; V321-T325 VanDerWaalsContact O-CB 3.32Å; V321-T325 WeakPolarHBondContact O-CB 3.27Å; V321-T325 PolarHBondContact O-N 3.22Å; V321-T325 PolarHBondContact O-OG1 3.35Å; L322-T325 WeakPolarHBondContact O-CB 3.46Å; L322-T325 PolarHBondContact O-N 3.03Å; L322-T325 VanDerWaalsContact O-N 3.15Å; Q323-T325 VanDerWaalsContact C-N 3.28Å; Q323-T325 PolarHBondContact O-N 3.07Å; T325-Y328 PolarHBondContact O-N 3.15Å; T325-I329 VanDerWaalsContact O-CG1 3.3Å; T325-I329 WeakPolarHBondContact O-CG1 3.3Å; T325-I329 PolarHBondContact O-N 3.37Å; T325-I329 VanDerWaalsContact O-N 3.09Å |
| 326 | L | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.5 | -43 | 177.9 | -67 | 169.1 | 0 | 0 | 0 | 111.7 | L308 L322 Q323 Y328 I329 N330 V353 L357 P389 A392 A393 L396 | L308-L326 HydrophobicContact CD2-CD2 4.23Å; L322-L326 HydrophobicContact CG-CD1 4.27Å; L322-L326 WeakPolarHBondContact O-CG 3.32Å; L322-L326 PolarHBondContact O-N 3.19Å; Q323-L326 PolarHBondContact O-N 3.2Å; L326-Y328 VanDerWaalsContact C-N 3.35Å; L326-Y328 PolarHBondContact O-N 3.36Å; L326-I329 CarbonylContact O-C 2.92Å; L326-I329 PolarHBondContact O-N 2.85Å; L326-I329 VanDerWaalsContact O-N 3.14Å; L326-N330 WeakPolarHBondContact O-CB 3.45Å; L326-N330 PolarHBondContact O-N 3.46Å; L326-V353 HydrophobicContact CD2-CG1 4.29Å; L326-L357 HydrophobicContact CD1-CD1 3.8Å; L326-P389 WeakPolarHBondContact CD1-O 3.41Å; L326-A392 HydrophobicContact CB-CB 3.95Å; L326-A392 HydrophobicContact CD1-CB 4.21Å; L326-A393 HydrophobicContact CD1-CB 4Å; L326-L396 HydrophobicContact CD2-CD2 3.8Å |
| 327 | N | 96.3 | Very high | 95 | Very high | 52 Ų | 52 | 17.4 Ų | 17.4 | 28% | 0.278 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -59.7 | -42.6 | 176.7 | -68.6 | -3.5 | 0 | 0 | 0 | 112.4 | Q323 I329 N330 Q331 A392 | Q323-N327 PolarHBondContact NE2-ND2 3.41Å; Q323-N327 PolarHBondContact O-N 3.03Å; Q323-N327 PolarHBondContact O-OD1 3.08Å; N327-I329 PolarHBondContact O-N 3.21Å; N327-N330 WeakPolarHBondContact O-CB 3.47Å; N327-N330 PolarHBondContact O-N 3.02Å; N327-Q331 PolarHBondContact O-N 3.47Å; N327-A392 VanDerWaalsContact OD1-CB 3.26Å; N327-A392 WeakPolarHBondContact OD1-CB 3.31Å |
| 328 | Y | 97.5 | Very high | 95.1 | Very high | 3 Ų | 3 | 16.7 Ų | 16.7 | 1% | 0.012 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.2 | -41.9 | 175.6 | -168.4 | -76.2 | 0 | 0 | 0 | 111.9 | L268 F272 A297 V300 L304 Q324 T325 L326 N330 Q331 G332 | L268-Y328 HydrophobicContact CB-CD2 4.04Å; L268-Y328 HydrophobicContact CB-CE2 4Å; L268-Y328 VanDerWaalsContact O-CE2 3.29Å; L268-Y328 WeakPolarHBondContact O-CE2 3.49Å; F272-Y328 HydrophobicContact CB-CD2 4.2Å; F272-Y328 HydrophobicContact CB-CE2 3.68Å; F272-Y328 HydrophobicContact CD1-CD1 4.01Å; F272-Y328 HydrophobicContact CD1-CD2 4.11Å; F272-Y328 AromaticContact CD1-CE1 3.63Å; F272-Y328 HydrophobicContact CD1-CE1 3.63Å; F272-Y328 AromaticContact CD1-CE2 3.71Å; F272-Y328 HydrophobicContact CD1-CE2 3.71Å; F272-Y328 HydrophobicContact CD1-CG 4.23Å; F272-Y328 AromaticContact CD1-CZ 3.44Å; F272-Y328 VanDerWaalsContact CD1-CZ 3.44Å; F272-Y328 HydrophobicContact CE1-CD1 4.4Å; F272-Y328 AromaticContact CE1-CE1 3.95Å; F272-Y328 HydrophobicContact CE1-CE1 3.95Å; F272-Y328 HydrophobicContact CG-CE2 4.09Å; A297-Y328 WeakPolarHBondContact CA-OH 3.3Å; V300-Y328 HydrophobicContact CB-CE1 4.12Å; V300-Y328 HydrophobicContact CB-CE2 4.44Å; V300-Y328 WeakPolarHBondContact CB-OH 3.13Å; V300-Y328 HydrophobicContact CG1-CD1 4.32Å; V300-Y328 HydrophobicContact CG1-CD2 4.28Å; V300-Y328 HydrophobicContact CG1-CE1 3.73Å; V300-Y328 HydrophobicContact CG1-CE2 3.72Å; V300-Y328 VanDerWaalsContact CG1-CZ 3.42Å; L304-Y328 VanDerWaalsContact CD1-CB 3.44Å; L304-Y328 HydrophobicContact CD1-CD1 3.37Å; L304-Y328 HydrophobicContact CD1-CD2 4.22Å; L304-Y328 HydrophobicContact CD1-CE1 4.21Å; L304-Y328 HydrophobicContact CD1-CG 3.39Å; Q324-Y328 PolarHBondContact O-N 3.42Å; Q324-Y328 VanDerWaalsContact O-N 3.12Å; T325-Y328 PolarHBondContact O-N 3.15Å; L326-Y328 VanDerWaalsContact C-N 3.35Å; L326-Y328 PolarHBondContact O-N 3.36Å; Y328-N330 VanDerWaalsContact C-N 3.29Å; Y328-N330 PolarHBondContact O-N 2.5Å; Y328-Q331 PolarHBondContact O-N 2.66Å; Y328-G332 PolarHBondContact O-N 2.99Å; Y328-G332 VanDerWaalsContact O-N 3.12Å |
| 329 | I | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.6 | -37.8 | 176.7 | -64.9 | -60.9 | 0 | 0 | 0 | 110.6 | Q301 L304 L308 T325 L326 N327 G332 V333 L342 L396 | Q301-I329 HydrophobicContact CG-CD1 3.85Å; L304-I329 HydrophobicContact CB-CD1 4.13Å; L308-I329 HydrophobicContact CD1-CG1 4.23Å; T325-I329 VanDerWaalsContact O-CG1 3.3Å; T325-I329 WeakPolarHBondContact O-CG1 3.3Å; T325-I329 PolarHBondContact O-N 3.37Å; T325-I329 VanDerWaalsContact O-N 3.09Å; L326-I329 CarbonylContact O-C 2.92Å; L326-I329 PolarHBondContact O-N 2.85Å; L326-I329 VanDerWaalsContact O-N 3.14Å; N327-I329 PolarHBondContact O-N 3.21Å; I329-G332 CarbonylContact O-C 3.58Å; I329-G332 WeakPolarHBondContact O-CA 3.43Å; I329-G332 PolarHBondContact O-N 2.94Å; I329-G332 VanDerWaalsContact O-N 3.1Å; I329-V333 PolarHBondContact O-N 3.5Å; I329-L342 HydrophobicContact CG2-CD1 3.87Å; I329-L342 HydrophobicContact CG2-CD2 3.82Å; I329-L396 HydrophobicContact CB-CD2 4.36Å; I329-L396 HydrophobicContact CG2-CD1 3.99Å; I329-L396 HydrophobicContact CG2-CD2 3.9Å |
| 330 | N | 96.4 | Very high | 95.2 | Very high | 23 Ų | 23 | 21.6 Ų | 21.6 | 12% | 0.123 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -57.8 | -50.7 | 175 | -172.2 | 50.6 | 0 | 0 | 0 | 111.4 | L326 N327 Y328 G332 V333 T395 L396 T399 | L326-N330 WeakPolarHBondContact O-CB 3.45Å; L326-N330 PolarHBondContact O-N 3.46Å; N327-N330 WeakPolarHBondContact O-CB 3.47Å; N327-N330 PolarHBondContact O-N 3.02Å; Y328-N330 VanDerWaalsContact C-N 3.29Å; Y328-N330 PolarHBondContact O-N 2.5Å; N330-G332 PolarHBondContact O-N 3.08Å; N330-V333 VanDerWaalsContact O-CB 3.27Å; N330-V333 WeakPolarHBondContact O-CB 3.37Å; N330-V333 PolarHBondContact O-N 2.87Å; N330-T395 PolarHBondContact OD1-O 3.3Å; N330-L396 HydrophobicContact CB-CB 4.32Å; N330-L396 HydrophobicContact CB-CD1 4.09Å; N330-L396 WeakPolarHBondContact OD1-CA 3.34Å; N330-T399 WeakPolarHBondContact OD1-CB 3.43Å; N330-T399 WeakPolarHBondContact OD1-CG2 3.46Å; N330-T399 PolarHBondContact OD1-OG1 3.35Å |
| 331 | Q | 94.9 | Very high | 95.1 | Very high | 36 Ų | 36 | 20.5 Ų | 20.5 | 17% | 0.168 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58.5 | -35.3 | 175.2 | -164.1 | 62.4 | 21.2 | 0 | 0 | 112.2 | F272 S277 N327 Y328 V333 S334 H335 | F272-Q331 HydrophobicContact CB-CG 4.44Å; F272-Q331 HydrophobicContact CD1-CB 3.72Å; F272-Q331 HydrophobicContact CD1-CG 3.77Å; F272-Q331 HydrophobicContact CD2-CG 3.96Å; F272-Q331 HydrophobicContact CE1-CB 3.88Å; F272-Q331 HydrophobicContact CE1-CG 3.95Å; F272-Q331 HydrophobicContact CE2-CG 4.11Å; F272-Q331 HydrophobicContact CG-CB 4.21Å; F272-Q331 HydrophobicContact CG-CG 3.78Å; F272-Q331 HydrophobicContact CZ-CB 4.47Å; F272-Q331 HydrophobicContact CZ-CG 4.11Å; S277-Q331 PolarHBondContact OG-NE2 3.18Å; N327-Q331 PolarHBondContact O-N 3.47Å; Y328-Q331 PolarHBondContact O-N 2.66Å; Q331-V333 PolarHBondContact O-N 3Å; Q331-S334 PolarHBondContact O-N 3.33Å; Q331-H335 PolarHBondContact O-CD2 2.77Å |
| 332 | G | 94.6 | Very high | 95 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -68.6 | -13.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y328 I329 N330 T338 W339 | Y328-G332 PolarHBondContact O-N 2.99Å; Y328-G332 VanDerWaalsContact O-N 3.12Å; I329-G332 CarbonylContact O-C 3.58Å; I329-G332 WeakPolarHBondContact O-CA 3.43Å; I329-G332 PolarHBondContact O-N 2.94Å; I329-G332 VanDerWaalsContact O-N 3.1Å; N330-G332 PolarHBondContact O-N 3.08Å; G332-T338 WeakPolarHBondContact CA-OG1 3.48Å; G332-T338 WeakPolarHBondContact O-CB 3.47Å; G332-T338 PolarHBondContact O-OG1 3.09Å; G332-W339 PolarHBondContact O-N 3.12Å |
| 333 | V | 95 | Very high | 95 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -71.4 | -35.6 | 174.7 | 175.9 | 0 | 0 | 0 | 0 | 111 | I329 N330 Q331 H335 W339 L342 L396 T399 A400 R404 | I329-V333 PolarHBondContact O-N 3.5Å; N330-V333 VanDerWaalsContact O-CB 3.27Å; N330-V333 WeakPolarHBondContact O-CB 3.37Å; N330-V333 PolarHBondContact O-N 2.87Å; Q331-V333 PolarHBondContact O-N 3Å; V333-H335 PolarHBondContact O-N 3.29Å; V333-W339 HydrophobicContact CG1-CE3 4.45Å; V333-W339 HydrophobicContact CG1-CZ3 4.39Å; V333-L342 HydrophobicContact CG2-CD2 3.84Å; V333-L396 HydrophobicContact CG2-CD1 3.7Å; V333-T399 HydrophobicContact CB-CG2 4.17Å; V333-T399 HydrophobicContact CG1-CG2 4.04Å; V333-A400 HydrophobicContact CG1-CB 4.38Å; V333-A400 HydrophobicContact CG2-CB 4.41Å; V333-R404 HydrophobicContact CG1-CG 3.84Å; V333-R404 PolarHBondContact O-NE 2.89Å; V333-R404 PolarHBondContact O-NH2 3.22Å |
| 334 | S | 90.1 | Very high | 94.9 | Very high | 6 Ų | 6 | 29.1 Ų | 29.1 | 4% | 0.042 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -69.8 | -28.8 | -175.2 | -60.8 | 0 | 0 | 0 | 0 | 113.7 | Q331 R404 D907 | Q331-S334 PolarHBondContact O-N 3.33Å; S334-R404 PolarHBondContact O-NH2 2.9Å; S334-R404 VanDerWaalsContact O-NH2 3.16Å; S334-D907 PolarHBondContact O-N 3.38Å |
| 335 | H | 91.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -101.6 | 127.4 | -175.1 | -59.6 | -80.1 | 0 | 0 | 0 | 112.6 | F272 S277 L293 Q331 V333 L337 T338 W339 R404 D906 | F272-H335 AromaticContact CE2-CD2 3.81Å; F272-H335 AromaticContact CZ-CD2 3.82Å; S277-H335 VanDerWaalsContact CB-NE2 3.35Å; S277-H335 WeakPolarHBondContact CB-NE2 3.31Å; S277-H335 PolarHBondContact OG-NE2 3.05Å; L293-H335 HydrophobicContact CD1-CB 3.83Å; L293-H335 HydrophobicContact CD2-CB 4.2Å; Q331-H335 PolarHBondContact O-CD2 2.77Å; V333-H335 PolarHBondContact O-N 3.29Å; H335-L337 VanDerWaalsContact C-N 3.28Å; H335-L337 PolarHBondContact O-N 2.89Å; H335-T338 WeakPolarHBondContact CB-OG1 3.49Å; H335-T338 PolarHBondContact O-N 2.81Å; H335-T338 PolarHBondContact O-OG1 3.41Å; H335-W339 WeakPolarHBondContact O-CB 3.33Å; H335-W339 PolarHBondContact O-N 3.45Å; H335-R404 VanDerWaalsContact C-NH2 3.32Å; H335-D906 VanDerWaalsContact CA-OD1 3.27Å; H335-D906 WeakPolarHBondContact CA-OD1 3.33Å |
| 336 | A | 91.9 | Very high | 94.8 | Very high | 12 Ų | 12 | 33.2 Ų | 33.2 | 10% | 0.099 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -51.9 | -41 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | W339 K340 D906 | A336-W339 PolarHBondContact O-N 2.96Å; A336-K340 WeakPolarHBondContact O-CB 3.39Å; A336-K340 PolarHBondContact O-N 2.76Å; A336-D906 VanDerWaalsContact CB-OD1 3.3Å; A336-D906 WeakPolarHBondContact CB-OD1 3.19Å; A336-D906 PolarHBondContact N-OD1 3.29Å |
| 337 | L | 93.9 | Very high | 94.7 | Very high | 71 Ų | 71 | 35.2 Ų | 35.2 | 37% | 0.372 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62 | -50.2 | -179.7 | 179.4 | 63.3 | 0 | 0 | 0 | 111.9 | L293 K294 V298 H335 | L293-L337 HydrophobicContact CG-CD2 4.19Å; L293-L337 WeakPolarHBondContact O-CD2 3.46Å; K294-L337 HydrophobicContact CG-CD2 4.38Å; V298-L337 HydrophobicContact CG2-CD1 4.4Å; V298-L337 HydrophobicContact CG2-CD2 4.22Å; V298-L337 HydrophobicContact CG2-CG 3.87Å; H335-L337 VanDerWaalsContact C-N 3.28Å; H335-L337 PolarHBondContact O-N 2.89Å |
| 338 | T | 94.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -74.9 | -32.1 | 178 | 46.6 | 0 | 0 | 0 | 0 | 111.5 | F272 L293 A297 V298 Q301 G332 H335 N341 L342 | F272-T338 HydrophobicContact CZ-CG2 4.15Å; L293-T338 HydrophobicContact CD1-CG2 3.98Å; A297-T338 HydrophobicContact CB-CG2 3.66Å; V298-T338 HydrophobicContact CG2-CG2 4.3Å; Q301-T338 PolarHBondContact NE2-O 3.07Å; Q301-T338 PolarHBondContact OE1-O 2.83Å; G332-T338 WeakPolarHBondContact CA-OG1 3.48Å; G332-T338 WeakPolarHBondContact O-CB 3.47Å; G332-T338 PolarHBondContact O-OG1 3.09Å; H335-T338 WeakPolarHBondContact CB-OG1 3.49Å; H335-T338 PolarHBondContact O-N 2.81Å; H335-T338 PolarHBondContact O-OG1 3.41Å; T338-N341 PolarHBondContact O-N 2.94Å; T338-L342 WeakPolarHBondContact O-CB 2.9Å; T338-L342 PolarHBondContact O-N 2.82Å |
| 339 | W | 95.5 | Very high | 94.7 | Very high | 7 Ų | 7 | 34.5 Ų | 34.5 | 3% | 0.027 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.4 | -41.9 | 175.5 | 177.5 | -118.8 | 0 | 0 | 0 | 112.1 | G332 V333 H335 A336 N341 L342 K343 I346 R404 V407 | G332-W339 PolarHBondContact O-N 3.12Å; V333-W339 HydrophobicContact CG1-CE3 4.45Å; V333-W339 HydrophobicContact CG1-CZ3 4.39Å; H335-W339 WeakPolarHBondContact O-CB 3.33Å; H335-W339 PolarHBondContact O-N 3.45Å; A336-W339 PolarHBondContact O-N 2.96Å; W339-N341 PolarHBondContact O-N 2.94Å; W339-N341 VanDerWaalsContact O-N 3.14Å; W339-L342 HydrophobicContact CE3-CB 4.12Å; W339-L342 HydrophobicContact CE3-CD2 4.07Å; W339-L342 HydrophobicContact CE3-CG 4.31Å; W339-L342 HydrophobicContact CZ3-CD2 4.13Å; W339-L342 HydrophobicContact CZ3-CG 4.3Å; W339-L342 CarbonylContact O-C 3.59Å; W339-L342 PolarHBondContact O-N 3.4Å; W339-K343 HydrophobicContact CD2-CB 4.33Å; W339-K343 HydrophobicContact CZ2-CB 4.11Å; W339-K343 HydrophobicContact CZ2-CG 4.09Å; W339-K343 VanDerWaalsContact O-CB 3.28Å; W339-K343 WeakPolarHBondContact O-CB 3.35Å; W339-K343 PolarHBondContact O-N 2.95Å; W339-I346 HydrophobicContact CH2-CB 4.21Å; W339-I346 HydrophobicContact CH2-CG1 4.14Å; W339-I346 HydrophobicContact CH2-CG2 3.9Å; W339-I346 HydrophobicContact CZ3-CB 4.3Å; W339-I346 HydrophobicContact CZ3-CG1 4.13Å; W339-I346 HydrophobicContact CZ3-CG2 4.47Å; W339-R404 HydrophobicContact CD2-CG 3.83Å; W339-R404 HydrophobicContact CE3-CG 3.96Å; W339-R404 VanDerWaalsContact CG-NE 3.34Å; W339-R404 HydrophobicContact CH2-CB 3.68Å; W339-R404 HydrophobicContact CH2-CG 3.72Å; W339-R404 HydrophobicContact CZ2-CB 3.45Å; W339-R404 VanDerWaalsContact CZ2-CB 3.45Å; W339-R404 HydrophobicContact CZ2-CG 3.58Å; W339-R404 HydrophobicContact CZ3-CB 4.36Å; W339-R404 HydrophobicContact CZ3-CG 3.91Å; W339-V407 HydrophobicContact CH2-CG2 3.8Å; W339-V407 HydrophobicContact CZ2-CG2 4.13Å |
| 340 | K | 94 | Very high | 94.8 | Very high | 158 Ų | 158 | 34.5 Ų | 34.5 | 69% | 0.687 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -55.6 | -34.7 | 177.1 | -177.3 | 176.6 | 179.3 | 176.7 | 0 | 112.6 | A336 | A336-K340 WeakPolarHBondContact O-CB 3.39Å; A336-K340 PolarHBondContact O-N 2.76Å |
| 341 | N | 92.5 | Very high | 94.8 | Very high | 38 Ų | 38 | 36.5 Ų | 36.5 | 20% | 0.203 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -83.2 | -31.7 | 175.4 | -173.5 | 31.1 | 0 | 0 | 0 | 112.4 | V298 Q301 T338 W339 P344 H345 | V298-N341 HydrophobicContact CG1-CB 4.36Å; V298-N341 WeakPolarHBondContact CG1-ND2 3.33Å; Q301-N341 PolarHBondContact OE1-ND2 2.86Å; T338-N341 PolarHBondContact O-N 2.94Å; W339-N341 PolarHBondContact O-N 2.94Å; W339-N341 VanDerWaalsContact O-N 3.14Å; N341-P344 WeakPolarHBondContact O-CD 3.48Å; N341-H345 PolarHBondContact O-CD2 2.94Å |
| 342 | L | 94.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -76.7 | -36.1 | 179.1 | -169.2 | 54.9 | 0 | 0 | 0 | 113.9 | L305 I329 V333 T338 W339 P344 H345 I346 I349 | L305-L342 HydrophobicContact CD2-CD1 4.24Å; I329-L342 HydrophobicContact CG2-CD1 3.87Å; I329-L342 HydrophobicContact CG2-CD2 3.82Å; V333-L342 HydrophobicContact CG2-CD2 3.84Å; T338-L342 WeakPolarHBondContact O-CB 2.9Å; T338-L342 PolarHBondContact O-N 2.82Å; W339-L342 HydrophobicContact CE3-CB 4.12Å; W339-L342 HydrophobicContact CE3-CD2 4.07Å; W339-L342 HydrophobicContact CE3-CG 4.31Å; W339-L342 HydrophobicContact CZ3-CD2 4.13Å; W339-L342 HydrophobicContact CZ3-CG 4.3Å; W339-L342 CarbonylContact O-C 3.59Å; W339-L342 PolarHBondContact O-N 3.4Å; L342-P344 VanDerWaalsContact C-N 3.34Å; L342-H345 WeakPolarHBondContact O-CA 3.37Å; L342-H345 PolarHBondContact O-N 3.31Å; L342-I346 HydrophobicContact CD2-CD1 4.31Å; L342-I346 HydrophobicContact CG-CD1 4.33Å; L342-I346 PolarHBondContact O-N 3.36Å; L342-I349 HydrophobicContact CD1-CD1 3.66Å |
| 343 | K | 94.9 | Very high | 95 | Very high | 96 Ų | 96 | 37.6 Ų | 37.6 | 42% | 0.417 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -40.5 | -172.8 | -178.6 | 178 | -176 | 173.1 | 0 | 114.3 | W339 H345 I346 | W339-K343 HydrophobicContact CD2-CB 4.33Å; W339-K343 HydrophobicContact CZ2-CB 4.11Å; W339-K343 HydrophobicContact CZ2-CG 4.09Å; W339-K343 VanDerWaalsContact O-CB 3.28Å; W339-K343 WeakPolarHBondContact O-CB 3.35Å; W339-K343 PolarHBondContact O-N 2.95Å; K343-H345 PolarHBondContact O-N 3.05Å; K343-I346 WeakPolarHBondContact O-CG2 3.44Å |
| 344 | P | 95 | Very high | 95.1 | Very high | 99 Ų | 99 | 37.6 Ų | 37.6 | 64% | 0.643 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -21.1 | 176 | -19.8 | 33.9 | 0 | 0 | 0 | 114.2 | N341 L342 | N341-P344 WeakPolarHBondContact O-CD 3.48Å; L342-P344 VanDerWaalsContact C-N 3.34Å |
| 345 | H | 95.7 | Very high | 95.5 | Very high | 89 Ų | 89 | 38 Ų | 38 | 41% | 0.412 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | -24.4 | -173.4 | -58.8 | -67.9 | 0 | 0 | 0 | 113.2 | L305 N341 L342 K343 Q347 G348 I349 | L305-H345 HydrophobicContact CD2-CB 4.15Å; N341-H345 PolarHBondContact O-CD2 2.94Å; L342-H345 WeakPolarHBondContact O-CA 3.37Å; L342-H345 PolarHBondContact O-N 3.31Å; K343-H345 PolarHBondContact O-N 3.05Å; H345-Q347 VanDerWaalsContact C-N 3.29Å; H345-Q347 PolarHBondContact O-N 3.31Å; H345-Q347 VanDerWaalsContact O-N 3.17Å; H345-G348 WeakPolarHBondContact O-CA 3.31Å; H345-G348 PolarHBondContact O-N 3.45Å; H345-I349 HydrophobicContact CB-CD1 4.17Å; H345-I349 WeakPolarHBondContact O-CG1 3.3Å; H345-I349 PolarHBondContact O-N 3.38Å |
| 346 | I | 96.7 | Very high | 95.7 | Very high | 7 Ų | 7 | 40.3 Ų | 40.3 | 4% | 0.036 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -54.6 | -40.8 | -170.7 | -165.4 | 60.3 | 0 | 0 | 0 | 113.4 | W339 L342 K343 G348 I349 I350 A400 | W339-I346 HydrophobicContact CH2-CB 4.21Å; W339-I346 HydrophobicContact CH2-CG1 4.14Å; W339-I346 HydrophobicContact CH2-CG2 3.9Å; W339-I346 HydrophobicContact CZ3-CB 4.3Å; W339-I346 HydrophobicContact CZ3-CG1 4.13Å; W339-I346 HydrophobicContact CZ3-CG2 4.47Å; L342-I346 HydrophobicContact CD2-CD1 4.31Å; L342-I346 HydrophobicContact CG-CD1 4.33Å; L342-I346 PolarHBondContact O-N 3.36Å; K343-I346 WeakPolarHBondContact O-CG2 3.44Å; I346-G348 VanDerWaalsContact C-N 3.33Å; I346-G348 PolarHBondContact O-N 2.89Å; I346-I349 PolarHBondContact O-N 3.49Å; I346-I350 HydrophobicContact CG1-CD1 4.11Å; I346-I350 VanDerWaalsContact O-CG1 3.31Å; I346-I350 WeakPolarHBondContact O-CG1 3.36Å; I346-I350 PolarHBondContact O-N 3.01Å; I346-A400 HydrophobicContact CD1-CB 4.27Å; I346-A400 HydrophobicContact CG1-CB 4.38Å |
| 347 | Q | 96 | Very high | 95.9 | Very high | 42 Ų | 42 | 40.7 Ų | 40.7 | 20% | 0.196 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.8 | -39.8 | 177.9 | -171.2 | 63.2 | 33.7 | 0 | 0 | 112.1 | H345 I350 Q351 | H345-Q347 VanDerWaalsContact C-N 3.29Å; H345-Q347 PolarHBondContact O-N 3.31Å; H345-Q347 VanDerWaalsContact O-N 3.17Å; Q347-I350 PolarHBondContact O-N 3.24Å; Q347-Q351 WeakPolarHBondContact O-CG 3.19Å; Q347-Q351 PolarHBondContact O-N 3.36Å |
| 348 | G | 96.3 | Very high | 95.9 | Very high | 29 Ų | 29 | 37.5 Ų | 37.5 | 30% | 0.299 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -69.4 | -36.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | H345 I346 I350 Q351 D352 | H345-G348 WeakPolarHBondContact O-CA 3.31Å; H345-G348 PolarHBondContact O-N 3.45Å; I346-G348 VanDerWaalsContact C-N 3.33Å; I346-G348 PolarHBondContact O-N 2.89Å; G348-I350 VanDerWaalsContact C-N 3.35Å; G348-Q351 PolarHBondContact O-N 3.06Å; G348-D352 WeakPolarHBondContact O-CA 3.08Å; G348-D352 WeakPolarHBondContact O-CB 3.49Å; G348-D352 PolarHBondContact O-N 3.44Å |
| 349 | I | 97.8 | Very high | 96 | Very high | 10 Ų | 10 | 38.3 Ų | 38.3 | 5% | 0.051 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.6 | -44.5 | 173.9 | -63.9 | 168.4 | 0 | 0 | 0 | 110.2 | L305 L308 L342 H345 I346 Q351 V353 I354 L396 | L305-I349 HydrophobicContact CD2-CD1 3.76Å; L308-I349 HydrophobicContact CD1-CD1 4.04Å; L308-I349 HydrophobicContact CD1-CG1 4.12Å; L308-I349 HydrophobicContact CD1-CG2 4.18Å; L342-I349 HydrophobicContact CD1-CD1 3.66Å; H345-I349 HydrophobicContact CB-CD1 4.17Å; H345-I349 WeakPolarHBondContact O-CG1 3.3Å; H345-I349 PolarHBondContact O-N 3.38Å; I346-I349 PolarHBondContact O-N 3.49Å; I349-Q351 PolarHBondContact O-N 2.99Å; I349-V353 HydrophobicContact CG2-CB 4.36Å; I349-V353 WeakPolarHBondContact O-CA 3.25Å; I349-V353 VanDerWaalsContact O-CB 3.28Å; I349-V353 WeakPolarHBondContact O-CB 3.21Å; I349-V353 PolarHBondContact O-N 3.46Å; I349-I354 HydrophobicContact CG2-CD1 4.27Å; I349-I354 HydrophobicContact CG2-CG1 4.27Å; I349-I354 PolarHBondContact O-N 3.34Å; I349-L396 HydrophobicContact CG2-CD2 4.29Å |
| 350 | I | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | I | π-helix | trans | -59.7 | -48.2 | 177.3 | -70.4 | 166.1 | 0 | 0 | 0 | 110.8 | I346 Q347 G348 I354 F355 L397 V407 T411 M435 | I346-I350 HydrophobicContact CG1-CD1 4.11Å; I346-I350 VanDerWaalsContact O-CG1 3.31Å; I346-I350 WeakPolarHBondContact O-CG1 3.36Å; I346-I350 PolarHBondContact O-N 3.01Å; Q347-I350 PolarHBondContact O-N 3.24Å; G348-I350 VanDerWaalsContact C-N 3.35Å; I350-I354 HydrophobicContact CG1-CD1 4.01Å; I350-F355 VanDerWaalsContact O-CB 3.26Å; I350-F355 WeakPolarHBondContact O-CB 3.37Å; I350-F355 PolarHBondContact O-N 3.04Å; I350-L397 HydrophobicContact CD1-CD1 4.38Å; I350-L397 HydrophobicContact CG1-CD1 4.19Å; I350-L397 HydrophobicContact CG2-CD1 4.14Å; I350-V407 HydrophobicContact CD1-CG1 3.67Å; I350-T411 HydrophobicContact CG2-CG2 4.43Å; I350-M435 HydrophobicContact CG2-CE 3.56Å |
| 351 | Q | 97.1 | Very high | 95.9 | Very high | 65 Ų | 65 | 33.5 Ų | 33.5 | 30% | 0.304 | 18% | 0.184 | S | C | . | . | I | π-helix | trans | -78.5 | -37.4 | -173.8 | -69.4 | 178.4 | -14.7 | 0 | 0 | 114.3 | Q347 G348 I349 P356 F414 | Q347-Q351 WeakPolarHBondContact O-CG 3.19Å; Q347-Q351 PolarHBondContact O-N 3.36Å; G348-Q351 PolarHBondContact O-N 3.06Å; I349-Q351 PolarHBondContact O-N 2.99Å; Q351-P356 WeakPolarHBondContact O-CD 3.48Å; Q351-F414 HydrophobicContact CB-CE2 4.34Å; Q351-F414 HydrophobicContact CB-CZ 4.22Å; Q351-F414 HydrophobicContact CG-CD1 4.21Å; Q351-F414 HydrophobicContact CG-CD2 3.87Å; Q351-F414 HydrophobicContact CG-CE1 4.15Å; Q351-F414 HydrophobicContact CG-CE2 3.79Å; Q351-F414 HydrophobicContact CG-CG 4.05Å; Q351-F414 HydrophobicContact CG-CZ 3.92Å |
| 352 | D | 96.2 | Very high | 95.9 | Very high | 57 Ų | 57 | 37 Ų | 37 | 31% | 0.305 | 20% | 0.204 | S | C | . | . | I | π-helix | trans | -105.6 | -9.9 | -169.4 | -58.1 | -47 | 0 | 0 | 0 | 113.5 | K312 G348 | K312-D352 HydrophobicContact CB-CB 4.41Å; K312-D352 HydrophobicContact CD-CB 3.72Å; K312-D352 WeakPolarHBondContact CE-OD2 3.36Å; K312-D352 HydrophobicContact CG-CB 3.96Å; K312-D352 IonicContact NZ-OD2 2.61Å; K312-D352 PolarHBondContact NZ-OD2 2.93Å; G348-D352 WeakPolarHBondContact O-CA 3.08Å; G348-D352 WeakPolarHBondContact O-CB 3.49Å; G348-D352 PolarHBondContact O-N 3.44Å |
| 353 | V | 97.4 | Very high | 95.6 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.024 | 23% | 0.23 | C | C | . | . | I | π-helix | trans | -125.4 | -61 | 179.8 | -176.1 | 0 | 0 | 0 | 0 | 111.4 | L308 Y311 L322 L326 I349 P356 L357 | L308-V353 HydrophobicContact CB-CG2 4.3Å; L308-V353 HydrophobicContact CD2-CG1 4.18Å; Y311-V353 HydrophobicContact CD1-CB 4.43Å; Y311-V353 HydrophobicContact CD1-CG1 3.91Å; Y311-V353 HydrophobicContact CD1-CG2 4.3Å; Y311-V353 HydrophobicContact CE1-CG1 4.09Å; L322-V353 HydrophobicContact CD1-CG1 4.43Å; L326-V353 HydrophobicContact CD2-CG1 4.29Å; I349-V353 HydrophobicContact CG2-CB 4.36Å; I349-V353 WeakPolarHBondContact O-CA 3.25Å; I349-V353 VanDerWaalsContact O-CB 3.28Å; I349-V353 WeakPolarHBondContact O-CB 3.21Å; I349-V353 PolarHBondContact O-N 3.46Å; V353-P356 WeakPolarHBondContact O-CD 3.29Å; V353-L357 HydrophobicContact CG1-CD1 4.15Å; V353-L357 VanDerWaalsContact O-CG 3.3Å; V353-L357 WeakPolarHBondContact O-CG 3.21Å; V353-L357 PolarHBondContact O-N 3.39Å |
| 354 | I | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | I | π-helix | trans | -64.2 | -51.8 | -176.3 | -64.5 | 177.2 | 0 | 0 | 0 | 110.3 | I349 I350 L357 M358 A393 L396 L397 | I349-I354 HydrophobicContact CG2-CD1 4.27Å; I349-I354 HydrophobicContact CG2-CG1 4.27Å; I349-I354 PolarHBondContact O-N 3.34Å; I350-I354 HydrophobicContact CG1-CD1 4.01Å; I354-L357 WeakPolarHBondContact O-CB 3.22Å; I354-L357 PolarHBondContact O-N 2.86Å; I354-L357 VanDerWaalsContact O-N 3.11Å; I354-M358 HydrophobicContact CG2-CG 4.36Å; I354-M358 HydrophobicContact CG2-SD 3.73Å; I354-M358 WeakPolarHBondContact O-CG 3.23Å; I354-M358 PolarHBondContact O-N 2.9Å; I354-A393 HydrophobicContact CB-CB 4.34Å; I354-A393 HydrophobicContact CG1-CB 4.18Å; I354-A393 HydrophobicContact CG2-CB 4.1Å; I354-L396 HydrophobicContact CD1-CB 4.35Å; I354-L396 HydrophobicContact CD1-CD2 3.87Å; I354-L396 HydrophobicContact CD1-CG 3.9Å; I354-L396 HydrophobicContact CG1-CD2 4.49Å; I354-L397 HydrophobicContact CD1-CB 4.38Å; I354-L397 HydrophobicContact CG2-CB 4.1Å; I354-L397 HydrophobicContact CG2-CD1 4.45Å; I354-L397 HydrophobicContact CG2-CD2 4.36Å |
| 355 | F | 97.8 | Very high | 95.4 | Very high | 14 Ų | 14 | 34.8 Ų | 34.8 | 6% | 0.061 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.7 | -47.5 | -177.8 | 171.4 | -105.1 | 0 | 0 | 0 | 113 | I350 L357 M358 C359 F414 I418 K428 A432 M435 | I350-F355 VanDerWaalsContact O-CB 3.26Å; I350-F355 WeakPolarHBondContact O-CB 3.37Å; I350-F355 PolarHBondContact O-N 3.04Å; F355-L357 VanDerWaalsContact C-N 3.33Å; F355-L357 PolarHBondContact O-N 2.92Å; F355-M358 CarbonylContact O-C 3.5Å; F355-M358 PolarHBondContact O-N 3.47Å; F355-M358 VanDerWaalsContact O-N 3.11Å; F355-C359 VanDerWaalsContact CZ-SG 3.53Å; F355-C359 PolarHBondContact O-N 3.11Å; F355-C359 VanDerWaalsContact O-N 3.08Å; F355-C359 PolarHBondContact O-SG 3.4Å; F355-F414 HydrophobicContact CB-CE1 3.99Å; F355-F414 HydrophobicContact CB-CZ 4.4Å; F355-F414 HydrophobicContact CD1-CE1 4.11Å; F355-F414 AromaticContact CD1-CZ 3.86Å; F355-F414 HydrophobicContact CD1-CZ 3.86Å; F355-F414 AromaticContact CD2-CE1 3.85Å; F355-F414 HydrophobicContact CD2-CE1 3.85Å; F355-F414 HydrophobicContact CD2-CZ 4.37Å; F355-F414 HydrophobicContact CE1-CZ 4.21Å; F355-F414 HydrophobicContact CE2-CE1 4.33Å; F355-F414 AromaticContact CG-CE1 3.7Å; F355-F414 HydrophobicContact CG-CE1 3.7Å; F355-F414 AromaticContact CG-CZ 3.95Å; F355-F414 HydrophobicContact CG-CZ 3.95Å; F355-I418 HydrophobicContact CD2-CD1 4.49Å; F355-I418 HydrophobicContact CE1-CD1 4.05Å; F355-I418 HydrophobicContact CE2-CD1 3.71Å; F355-I418 HydrophobicContact CZ-CD1 3.46Å; F355-I418 VanDerWaalsContact CZ-CD1 3.46Å; F355-K428 HydrophobicContact CE1-CB 4.49Å; F355-K428 HydrophobicContact CE1-CG 4.23Å; F355-K428 HydrophobicContact CZ-CB 3.87Å; F355-K428 HydrophobicContact CZ-CG 4.09Å; F355-K428 WeakPolarHBondContact CZ-O 3.24Å; F355-A432 HydrophobicContact CE2-CB 4.28Å; F355-M435 HydrophobicContact CB-SD 3.88Å; F355-M435 HydrophobicContact CD2-SD 3.57Å; F355-M435 VanDerWaalsContact CD2-SD 3.57Å; F355-M435 HydrophobicContact CG-SD 4.2Å |
| 356 | P | 95.7 | Very high | 95.3 | Very high | 48 Ų | 48 | 36.2 Ų | 36.2 | 31% | 0.312 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -57.9 | -38.7 | 172.5 | -28.9 | 36.8 | 0 | 0 | 0 | 114.7 | Q351 V353 M358 C359 | Q351-P356 WeakPolarHBondContact O-CD 3.48Å; V353-P356 WeakPolarHBondContact O-CD 3.29Å; P356-M358 PolarHBondContact O-N 2.9Å; P356-C359 PolarHBondContact O-N 3.08Å |
| 357 | L | 95.4 | Very high | 95 | Very high | 21 Ų | 21 | 37.8 Ų | 37.8 | 11% | 0.11 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.1 | -27.6 | 175.8 | -73.2 | 170.5 | 0 | 0 | 0 | 112.9 | Y311 L322 L326 V353 I354 F355 P389 T390 A393 | Y311-L357 HydrophobicContact CE1-CG 4.4Å; Y311-L357 VanDerWaalsContact OH-CD2 3.27Å; Y311-L357 WeakPolarHBondContact OH-CD2 3.45Å; L322-L357 HydrophobicContact CD2-CD1 3.96Å; L322-L357 HydrophobicContact CD2-CD2 3.82Å; L322-L357 HydrophobicContact CD2-CG 4.39Å; L322-L357 HydrophobicContact CG-CD1 4.4Å; L326-L357 HydrophobicContact CD1-CD1 3.8Å; V353-L357 HydrophobicContact CG1-CD1 4.15Å; V353-L357 VanDerWaalsContact O-CG 3.3Å; V353-L357 WeakPolarHBondContact O-CG 3.21Å; V353-L357 PolarHBondContact O-N 3.39Å; I354-L357 WeakPolarHBondContact O-CB 3.22Å; I354-L357 PolarHBondContact O-N 2.86Å; I354-L357 VanDerWaalsContact O-N 3.11Å; F355-L357 VanDerWaalsContact C-N 3.33Å; F355-L357 PolarHBondContact O-N 2.92Å; L357-P389 HydrophobicContact CD1-CB 4.39Å; L357-P389 HydrophobicContact CD2-CB 4.1Å; L357-T390 PolarHBondContact O-OG1 3.02Å; L357-A393 HydrophobicContact CB-CB 4.27Å; L357-A393 HydrophobicContact CD1-CB 3.89Å |
| 358 | M | 95.3 | Very high | 94.9 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.015 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -90.3 | -7.7 | 178.3 | -65.6 | -174.2 | 73.1 | 0 | 0 | 113.4 | I354 F355 P356 T390 Q394 L397 G431 H434 M435 S438 | I354-M358 HydrophobicContact CG2-CG 4.36Å; I354-M358 HydrophobicContact CG2-SD 3.73Å; I354-M358 WeakPolarHBondContact O-CG 3.23Å; I354-M358 PolarHBondContact O-N 2.9Å; F355-M358 CarbonylContact O-C 3.5Å; F355-M358 PolarHBondContact O-N 3.47Å; F355-M358 VanDerWaalsContact O-N 3.11Å; P356-M358 PolarHBondContact O-N 2.9Å; M358-T390 HydrophobicContact CG-CG2 4.45Å; M358-Q394 HydrophobicContact CE-CG 3.66Å; M358-Q394 HydrophobicContact SD-CG 4.19Å; M358-L397 HydrophobicContact CE-CD2 4.48Å; M358-L397 HydrophobicContact SD-CD2 3.94Å; M358-G431 WeakPolarHBondContact O-CA 3.32Å; M358-H434 HydrophobicContact CB-CB 4.37Å; M358-H434 VanDerWaalsContact CE-C 3.48Å; M358-H434 HydrophobicContact CE-CB 4.03Å; M358-H434 VanDerWaalsContact CE-CD2 3.41Å; M358-H434 WeakPolarHBondContact CE-CD2 3.31Å; M358-H434 PolarHBondContact O-ND1 2.95Å; M358-M435 HydrophobicContact CB-CG 4.5Å; M358-M435 HydrophobicContact CE-CB 4.38Å; M358-M435 HydrophobicContact CE-CG 3.98Å; M358-M435 HydrophobicContact SD-CB 4.49Å; M358-M435 HydrophobicContact SD-CG 3.56Å; M358-M435 VanDerWaalsContact SD-CG 3.56Å; M358-S438 WeakPolarHBondContact CE-OG 3.36Å |
| 359 | C | 96.1 | Very high | 94.8 | Very high | 17 Ų | 17 | 40.8 Ų | 40.8 | 12% | 0.115 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -83 | 144.2 | 175.1 | -67.2 | 0 | 0 | 0 | 0 | 110.8 | F355 P356 T361 | F355-C359 VanDerWaalsContact CZ-SG 3.53Å; F355-C359 PolarHBondContact O-N 3.11Å; F355-C359 VanDerWaalsContact O-N 3.08Å; F355-C359 PolarHBondContact O-SG 3.4Å; P356-C359 PolarHBondContact O-N 3.08Å; C359-T361 WeakPolarHBondContact O-CG2 3.37Å; C359-T361 PolarHBondContact O-N 3.42Å |
| 360 | Y | 94.4 | Very high | 94.7 | Very high | 10 Ų | 10 | 47.7 Ų | 47.7 | 4% | 0.039 | 25% | 0.251 | C | S | . | . | trans | -52 | 125.9 | 166.7 | -163.9 | -97.4 | 0 | 0 | 0 | 112.7 | D364 E365 W368 Y375 R427 D430 Y471 | Y360-D364 HydrophobicContact CD1-CB 4.32Å; Y360-D364 HydrophobicContact CD2-CB 3.73Å; Y360-D364 HydrophobicContact CE1-CB 4.14Å; Y360-D364 HydrophobicContact CE2-CB 3.5Å; Y360-D364 HydrophobicContact CG-CB 4.14Å; Y360-D364 PolarHBondContact OH-O 3.3Å; Y360-D364 VanDerWaalsContact OH-O 3.09Å; Y360-E365 HydrophobicContact CE1-CB 3.81Å; Y360-E365 WeakPolarHBondContact CE1-OE2 3.12Å; Y360-E365 WeakPolarHBondContact OH-CA 3.44Å; Y360-E365 PolarHBondContact OH-N 2.93Å; Y360-W368 HydrophobicContact CE2-CE3 4.4Å; Y360-W368 WeakPolarHBondContact OH-CB 3.15Å; Y360-Y375 HydrophobicContact CE2-CE2 4.29Å; Y360-R427 HydrophobicContact CD1-CG 4.49Å; Y360-R427 WeakPolarHBondContact O-CD 3.46Å; Y360-D430 WeakPolarHBondContact CB-OD2 3.42Å; Y360-D430 PolarHBondContact N-OD2 3.12Å; Y360-Y471 HydrophobicContact CD1-CD1 4.09Å; Y360-Y471 HydrophobicContact CD1-CD2 4.19Å; Y360-Y471 HydrophobicContact CD1-CE1 4.16Å; Y360-Y471 HydrophobicContact CD1-CE2 4.27Å; Y360-Y471 HydrophobicContact CD1-CG 4.1Å; Y360-Y471 AromaticContact CD2-CD2 3.96Å; Y360-Y471 HydrophobicContact CD2-CD2 3.96Å; Y360-Y471 AromaticContact CD2-CG 3.87Å; Y360-Y471 HydrophobicContact CD2-CG 3.87Å; Y360-Y471 AromaticContact CE1-CD1 3.78Å; Y360-Y471 HydrophobicContact CE1-CD1 3.78Å; Y360-Y471 HydrophobicContact CE1-CE1 4.1Å; Y360-Y471 HydrophobicContact CE1-CG 4.04Å; Y360-Y471 VanDerWaalsContact CE2-CB 3.43Å; Y360-Y471 HydrophobicContact CE2-CD1 4.31Å; Y360-Y471 HydrophobicContact CE2-CD2 4.41Å; Y360-Y471 AromaticContact CE2-CG 3.84Å; Y360-Y471 HydrophobicContact CE2-CG 3.84Å; Y360-Y471 HydrophobicContact CG-CD1 4.44Å; Y360-Y471 AromaticContact CG-CD2 3.83Å; Y360-Y471 HydrophobicContact CG-CD2 3.83Å; Y360-Y471 HydrophobicContact CG-CE2 4.16Å; Y360-Y471 AromaticContact CG-CG 3.98Å; Y360-Y471 HydrophobicContact CG-CG 3.98Å; Y360-Y471 AromaticContact CZ-CD1 3.9Å; Y360-Y471 AromaticContact CZ-CG 3.91Å | ||
| 361 | T | 92.5 | Very high | 94.5 | Very high | 54 Ų | 54 | 51.2 Ų | 51.2 | 33% | 0.331 | 27% | 0.27 | S | S | . | . | trans | -103.1 | 175.8 | -172.8 | 69.2 | 0 | 0 | 0 | 0 | 113.1 | C359 A363 D364 E365 | C359-T361 WeakPolarHBondContact O-CG2 3.37Å; C359-T361 PolarHBondContact O-N 3.42Å; T361-A363 VanDerWaalsContact C-N 3.33Å; T361-A363 PolarHBondContact OG1-N 2.83Å; T361-D364 WeakPolarHBondContact CB-OD2 3.37Å; T361-D364 PolarHBondContact N-OD2 3.21Å; T361-D364 PolarHBondContact OG1-N 3.03Å; T361-D364 VanDerWaalsContact OG1-N 3.13Å; T361-D364 PolarHBondContact OG1-OD2 2.91Å; T361-E365 PolarHBondContact O-N 3.18Å; T361-E365 VanDerWaalsContact O-N 3.15Å | ||
| 362 | D | 92 | Very high | 94.2 | Very high | 113 Ų | 113 | 49.7 Ų | 49.7 | 60% | 0.604 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -69.6 | -32.4 | 172.1 | -68.8 | -38.5 | 0 | 0 | 0 | 112 | E365 E366 R427 | D362-E365 PolarHBondContact O-N 3.45Å; D362-E366 PolarHBondContact O-N 3.25Å; D362-R427 IonicContact OD1-CZ 3.57Å; D362-R427 IonicContact OD1-NH1 3.33Å; D362-R427 PolarHBondContact OD1-NH1 3.25Å; D362-R427 IonicContact OD1-NH2 3.96Å; D362-R427 PolarHBondContact OD1-NH2 3.46Å; D362-R427 IonicContact OD2-NH1 3.48Å |
| 363 | A | 88.5 | Confident | 93.9 | Very high | 66 Ų | 66 | 51.6 Ų | 51.6 | 55% | 0.545 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67.4 | -39 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | T361 E365 E366 L367 | T361-A363 VanDerWaalsContact C-N 3.33Å; T361-A363 PolarHBondContact OG1-N 2.83Å; A363-E365 VanDerWaalsContact C-N 3.31Å; A363-E365 PolarHBondContact O-N 2.81Å; A363-E366 PolarHBondContact O-N 3.15Å; A363-L367 WeakPolarHBondContact O-CB 3.32Å; A363-L367 PolarHBondContact O-N 2.74Å |
| 364 | D | 92.3 | Very high | 93.4 | Very high | 26 Ų | 26 | 54.7 Ų | 54.7 | 14% | 0.139 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.9 | -38.1 | 172.5 | -64.2 | -72.1 | 0 | 0 | 0 | 111.5 | Y360 T361 W368 Y375 K379 | Y360-D364 HydrophobicContact CD1-CB 4.32Å; Y360-D364 HydrophobicContact CD2-CB 3.73Å; Y360-D364 HydrophobicContact CE1-CB 4.14Å; Y360-D364 HydrophobicContact CE2-CB 3.5Å; Y360-D364 HydrophobicContact CG-CB 4.14Å; Y360-D364 PolarHBondContact OH-O 3.3Å; Y360-D364 VanDerWaalsContact OH-O 3.09Å; T361-D364 WeakPolarHBondContact CB-OD2 3.37Å; T361-D364 PolarHBondContact N-OD2 3.21Å; T361-D364 PolarHBondContact OG1-N 3.03Å; T361-D364 VanDerWaalsContact OG1-N 3.13Å; T361-D364 PolarHBondContact OG1-OD2 2.91Å; D364-W368 WeakPolarHBondContact O-CB 3.45Å; D364-W368 PolarHBondContact O-N 3.18Å; D364-Y375 HydrophobicContact CB-CE2 4.12Å; D364-K379 IonicContact OD1-NZ 2.76Å; D364-K379 PolarHBondContact OD1-NZ 3.09Å |
| 365 | E | 94.6 | Very high | 93 | Very high | 55 Ų | 55 | 55.9 Ų | 55.9 | 26% | 0.257 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67 | -44.3 | 176.7 | -175.5 | 73.5 | -140.6 | 0 | 0 | 111.9 | Y360 T361 D362 A363 W368 Q369 | Y360-E365 HydrophobicContact CE1-CB 3.81Å; Y360-E365 WeakPolarHBondContact CE1-OE2 3.12Å; Y360-E365 WeakPolarHBondContact OH-CA 3.44Å; Y360-E365 PolarHBondContact OH-N 2.93Å; T361-E365 PolarHBondContact O-N 3.18Å; T361-E365 VanDerWaalsContact O-N 3.15Å; D362-E365 PolarHBondContact O-N 3.45Å; A363-E365 VanDerWaalsContact C-N 3.31Å; A363-E365 PolarHBondContact O-N 2.81Å; E365-W368 PolarHBondContact O-N 3.45Å; E365-Q369 HydrophobicContact CG-CG 4.36Å; E365-Q369 WeakPolarHBondContact O-CB 3.19Å; E365-Q369 VanDerWaalsContact O-CG 3.26Å; E365-Q369 WeakPolarHBondContact O-CG 3.31Å; E365-Q369 PolarHBondContact O-N 3.09Å; E365-Q369 WeakPolarHBondContact OE1-CG 3.21Å; E365-Q369 PolarHBondContact OE1-NE2 3.02Å |
| 366 | E | 93.2 | Very high | 92.6 | Very high | 120 Ų | 120 | 55.4 Ų | 55.4 | 56% | 0.561 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -57.8 | -51.6 | 177.1 | -175.9 | 169 | -168.2 | 0 | 0 | 110.5 | D362 A363 W368 Q369 E370 | D362-E366 PolarHBondContact O-N 3.25Å; A363-E366 PolarHBondContact O-N 3.15Å; E366-W368 PolarHBondContact O-N 3.24Å; E366-Q369 PolarHBondContact O-N 3.2Å; E366-E370 WeakPolarHBondContact O-CB 3.11Å; E366-E370 WeakPolarHBondContact O-CG 3.26Å; E366-E370 PolarHBondContact O-N 3.21Å |
| 367 | L | 91.5 | Very high | 92.1 | Very high | 40 Ų | 40 | 58.1 Ų | 58.1 | 21% | 0.209 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63 | -44.5 | 178.5 | -163.1 | 63.9 | 0 | 0 | 0 | 111.9 | A363 Q369 D371 E374 Y375 M378 | A363-L367 WeakPolarHBondContact O-CB 3.32Å; A363-L367 PolarHBondContact O-N 2.74Å; L367-Q369 VanDerWaalsContact C-N 3.28Å; L367-Q369 PolarHBondContact O-N 2.81Å; L367-D371 HydrophobicContact CD1-CB 4.43Å; L367-D371 CarbonylContact O-C 3.6Å; L367-D371 WeakPolarHBondContact O-CA 3.41Å; L367-D371 PolarHBondContact O-N 3.48Å; L367-E374 HydrophobicContact CD1-CB 3.84Å; L367-E374 HydrophobicContact CD1-CG 3.77Å; L367-Y375 HydrophobicContact CB-CD2 4.32Å; L367-Y375 VanDerWaalsContact CD2-CA 3.45Å; L367-Y375 HydrophobicContact CD2-CD2 4.15Å; L367-Y375 HydrophobicContact CG-CD2 4.4Å; L367-M378 HydrophobicContact CD2-CG 4.3Å; L367-M378 HydrophobicContact CD2-SD 3.45Å; L367-M378 WeakPolarHBondContact CD2-SD 3.29Å |
| 368 | W | 94 | Very high | 91.4 | Very high | 12 Ų | 12 | 61.2 Ų | 61.2 | 5% | 0.045 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60 | -35.3 | 178.4 | -175.2 | -76.3 | 0 | 0 | 0 | 113.6 | Y360 D364 E365 E366 Y375 G470 A474 E510 P512 V513 | Y360-W368 HydrophobicContact CE2-CE3 4.4Å; Y360-W368 WeakPolarHBondContact OH-CB 3.15Å; D364-W368 WeakPolarHBondContact O-CB 3.45Å; D364-W368 PolarHBondContact O-N 3.18Å; E365-W368 PolarHBondContact O-N 3.45Å; E366-W368 PolarHBondContact O-N 3.24Å; W368-Y375 HydrophobicContact CB-CD2 4.42Å; W368-Y375 AromaticContact CE3-CD1 3.79Å; W368-Y375 HydrophobicContact CE3-CD1 3.79Å; W368-Y375 HydrophobicContact CE3-CD2 4.2Å; W368-Y375 AromaticContact CE3-CE1 3.55Å; W368-Y375 HydrophobicContact CE3-CE1 3.55Å; W368-Y375 AromaticContact CE3-CE2 3.98Å; W368-Y375 HydrophobicContact CE3-CE2 3.98Å; W368-Y375 HydrophobicContact CE3-CG 4.11Å; W368-Y375 AromaticContact CE3-CZ 3.64Å; W368-Y375 HydrophobicContact CZ3-CD1 4.05Å; W368-Y375 AromaticContact CZ3-CE1 3.54Å; W368-Y375 HydrophobicContact CZ3-CE1 3.54Å; W368-Y375 AromaticContact CZ3-CZ 3.88Å; W368-G470 VanDerWaalsContact CZ2-C 3.45Å; W368-A474 HydrophobicContact CH2-CB 3.82Å; W368-A474 HydrophobicContact CZ3-CB 4.3Å; W368-E510 HydrophobicContact CZ2-CB 4.21Å; W368-E510 WeakPolarHBondContact CZ2-OE2 3.39Å; W368-E510 PolarHBondContact NE1-OE2 2.94Å; W368-P512 HydrophobicContact CD2-CG 4.37Å; W368-P512 HydrophobicContact CE3-CB 4.11Å; W368-P512 HydrophobicContact CE3-CG 4.06Å; W368-P512 HydrophobicContact CH2-CB 3.55Å; W368-P512 HydrophobicContact CH2-CG 4.01Å; W368-P512 HydrophobicContact CZ2-CB 4.26Å; W368-P512 HydrophobicContact CZ2-CG 4.28Å; W368-P512 HydrophobicContact CZ3-CB 3.46Å; W368-P512 VanDerWaalsContact CZ3-CB 3.46Å; W368-P512 HydrophobicContact CZ3-CG 3.9Å; W368-V513 HydrophobicContact CH2-CG2 3.93Å; W368-V513 HydrophobicContact CZ2-CG2 3.92Å |
| 369 | Q | 94.1 | Very high | 90.8 | Very high | 121 Ų | 121 | 65.7 Ų | 65.7 | 57% | 0.565 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -87.4 | -40 | -178.7 | -64 | -61 | -30 | 0 | 0 | 113 | E365 E366 L367 | E365-Q369 HydrophobicContact CG-CG 4.36Å; E365-Q369 WeakPolarHBondContact O-CB 3.19Å; E365-Q369 VanDerWaalsContact O-CG 3.26Å; E365-Q369 WeakPolarHBondContact O-CG 3.31Å; E365-Q369 PolarHBondContact O-N 3.09Å; E365-Q369 WeakPolarHBondContact OE1-CG 3.21Å; E365-Q369 PolarHBondContact OE1-NE2 3.02Å; E366-Q369 PolarHBondContact O-N 3.2Å; L367-Q369 VanDerWaalsContact C-N 3.28Å; L367-Q369 PolarHBondContact O-N 2.81Å |
| 370 | E | 94.2 | Very high | 89.8 | Confident | 156 Ų | 156 | 67 Ų | 67 | 73% | 0.729 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -87 | -42.9 | -174.1 | -61.7 | -161.1 | 168.3 | 0 | 0 | 112.4 | E366 | E366-E370 WeakPolarHBondContact O-CB 3.11Å; E366-E370 WeakPolarHBondContact O-CG 3.26Å; E366-E370 PolarHBondContact O-N 3.21Å |
| 371 | D | 93.7 | Very high | 88.9 | Confident | 73 Ų | 73 | 68.6 Ų | 68.6 | 39% | 0.39 | 34% | 0.338 | S | S | . | . | trans | -143.9 | 79.5 | -179.8 | -162.2 | -22.9 | 0 | 0 | 0 | 112 | L367 Y373 E374 Y375 | L367-D371 HydrophobicContact CD1-CB 4.43Å; L367-D371 CarbonylContact O-C 3.6Å; L367-D371 WeakPolarHBondContact O-CA 3.41Å; L367-D371 PolarHBondContact O-N 3.48Å; D371-Y373 PolarHBondContact O-N 2.94Å; D371-Y373 VanDerWaalsContact O-N 3.13Å; D371-Y373 PolarHBondContact OD1-N 2.91Å; D371-E374 HydrophobicContact CB-CB 4Å; D371-E374 PolarHBondContact O-N 3.18Å; D371-E374 PolarHBondContact OD1-N 3.19Å; D371-Y375 PolarHBondContact O-N 2.95Å | ||
| 372 | P | 92.2 | Very high | 87.6 | Confident | 34 Ų | 34 | 70.6 Ų | 70.6 | 22% | 0.221 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64 | -17.1 | -180 | 25.6 | -34.9 | 0 | 0 | 0 | 113.5 | I376 P512 | P372-I376 WeakPolarHBondContact O-CD1 3.31Å; P372-I376 VanDerWaalsContact O-CG1 3.3Å; P372-I376 WeakPolarHBondContact O-CG1 3.45Å; P372-I376 PolarHBondContact O-N 2.88Å; P372-P512 HydrophobicContact CB-CG 3.95Å |
| 373 | Y | 89.5 | Confident | 86.5 | Confident | 96 Ų | 96 | 72.6 Ų | 72.6 | 38% | 0.376 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -78.7 | -42.5 | 177.3 | -64.1 | -84.6 | 0 | 0 | 0 | 110.4 | D371 Y375 I376 R377 M511 E552 T553 | D371-Y373 PolarHBondContact O-N 2.94Å; D371-Y373 VanDerWaalsContact O-N 3.13Å; D371-Y373 PolarHBondContact OD1-N 2.91Å; Y373-Y375 VanDerWaalsContact C-N 3.26Å; Y373-Y375 PolarHBondContact O-N 3.32Å; Y373-I376 WeakPolarHBondContact O-CB 3.41Å; Y373-I376 PolarHBondContact O-N 2.79Å; Y373-I376 VanDerWaalsContact O-N 3.11Å; Y373-R377 PolarHBondContact O-N 3.41Å; Y373-M511 HydrophobicContact CE1-CG 4.25Å; Y373-E552 WeakPolarHBondContact CD1-O 3.42Å; Y373-E552 HydrophobicContact CE1-CB 4.05Å; Y373-E552 WeakPolarHBondContact CE1-O 3.24Å; Y373-T553 HydrophobicContact CD1-CG2 4.13Å; Y373-T553 HydrophobicContact CE1-CG2 4.11Å |
| 374 | E | 86.5 | Confident | 85.8 | Confident | 69 Ų | 69 | 72.8 Ų | 72.8 | 32% | 0.322 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.8 | -34 | 170.6 | -172 | 65.4 | -176.4 | 0 | 0 | 111.4 | L367 D371 I376 R377 M378 | L367-E374 HydrophobicContact CD1-CB 3.84Å; L367-E374 HydrophobicContact CD1-CG 3.77Å; D371-E374 HydrophobicContact CB-CB 4Å; D371-E374 PolarHBondContact O-N 3.18Å; D371-E374 PolarHBondContact OD1-N 3.19Å; E374-I376 VanDerWaalsContact C-N 3.34Å; E374-I376 PolarHBondContact O-N 3.01Å; E374-R377 PolarHBondContact O-N 3.15Å; E374-R377 IonicContact OE2-NH1 2.73Å; E374-M378 HydrophobicContact CG-CG 4.41Å; E374-M378 WeakPolarHBondContact O-CB 3.31Å; E374-M378 WeakPolarHBondContact O-CG 3.44Å; E374-M378 PolarHBondContact O-N 2.76Å |
| 375 | Y | 90.2 | Very high | 85 | Confident | 25 Ų | 25 | 75.3 Ų | 75.3 | 10% | 0.098 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.7 | -45.4 | 170.2 | -176.8 | -86.5 | 0 | 0 | 0 | 112.4 | Y360 D364 L367 W368 D371 Y373 K379 P512 | Y360-Y375 HydrophobicContact CE2-CE2 4.29Å; D364-Y375 HydrophobicContact CB-CE2 4.12Å; L367-Y375 HydrophobicContact CB-CD2 4.32Å; L367-Y375 VanDerWaalsContact CD2-CA 3.45Å; L367-Y375 HydrophobicContact CD2-CD2 4.15Å; L367-Y375 HydrophobicContact CG-CD2 4.4Å; W368-Y375 HydrophobicContact CB-CD2 4.42Å; W368-Y375 AromaticContact CE3-CD1 3.79Å; W368-Y375 HydrophobicContact CE3-CD1 3.79Å; W368-Y375 HydrophobicContact CE3-CD2 4.2Å; W368-Y375 AromaticContact CE3-CE1 3.55Å; W368-Y375 HydrophobicContact CE3-CE1 3.55Å; W368-Y375 AromaticContact CE3-CE2 3.98Å; W368-Y375 HydrophobicContact CE3-CE2 3.98Å; W368-Y375 HydrophobicContact CE3-CG 4.11Å; W368-Y375 AromaticContact CE3-CZ 3.64Å; W368-Y375 HydrophobicContact CZ3-CD1 4.05Å; W368-Y375 AromaticContact CZ3-CE1 3.54Å; W368-Y375 HydrophobicContact CZ3-CE1 3.54Å; W368-Y375 AromaticContact CZ3-CZ 3.88Å; D371-Y375 PolarHBondContact O-N 2.95Å; Y373-Y375 VanDerWaalsContact C-N 3.26Å; Y373-Y375 PolarHBondContact O-N 3.32Å; Y375-K379 HydrophobicContact CD1-CG 4.15Å; Y375-K379 HydrophobicContact CE1-CG 3.73Å; Y375-K379 HydrophobicContact CE2-CG 4.43Å; Y375-K379 VanDerWaalsContact CZ-CE 3.4Å; Y375-K379 VanDerWaalsContact O-CG 3.27Å; Y375-K379 WeakPolarHBondContact O-CG 3.12Å; Y375-K379 PolarHBondContact O-N 3.35Å; Y375-K379 VanDerWaalsContact OH-CE 3.28Å; Y375-K379 WeakPolarHBondContact OH-CE 3.41Å; Y375-P512 HydrophobicContact CD1-CB 3.99Å; Y375-P512 HydrophobicContact CD1-CG 4.11Å; Y375-P512 HydrophobicContact CE1-CB 4.26Å |
| 376 | I | 88.8 | Confident | 83.9 | Confident | 4 Ų | 4 | 79.5 Ų | 79.5 | 2% | 0.021 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63 | -51.9 | 177.6 | -68 | 158.6 | 0 | 0 | 0 | 108.8 | P372 Y373 E374 M378 K379 F380 M511 P512 V515 T553 | P372-I376 WeakPolarHBondContact O-CD1 3.31Å; P372-I376 VanDerWaalsContact O-CG1 3.3Å; P372-I376 WeakPolarHBondContact O-CG1 3.45Å; P372-I376 PolarHBondContact O-N 2.88Å; Y373-I376 WeakPolarHBondContact O-CB 3.41Å; Y373-I376 PolarHBondContact O-N 2.79Å; Y373-I376 VanDerWaalsContact O-N 3.11Å; E374-I376 VanDerWaalsContact C-N 3.34Å; E374-I376 PolarHBondContact O-N 3.01Å; I376-M378 PolarHBondContact O-N 3.15Å; I376-K379 PolarHBondContact O-N 3.46Å; I376-F380 HydrophobicContact CG2-CD2 3.81Å; I376-F380 HydrophobicContact CG2-CE2 4.21Å; I376-F380 VanDerWaalsContact O-CD2 3.27Å; I376-F380 WeakPolarHBondContact O-CD2 3.45Å; I376-F380 PolarHBondContact O-N 2.95Å; I376-F380 VanDerWaalsContact O-N 3.08Å; I376-M511 HydrophobicContact CD1-CB 4.16Å; I376-M511 HydrophobicContact CD1-CG 3.8Å; I376-P512 HydrophobicContact CD1-CB 4.35Å; I376-P512 HydrophobicContact CD1-CG 4.1Å; I376-P512 HydrophobicContact CG1-CB 3.95Å; I376-P512 HydrophobicContact CG1-CG 3.99Å; I376-V515 HydrophobicContact CD1-CG2 3.86Å; I376-V515 HydrophobicContact CG1-CG2 4.31Å; I376-V515 HydrophobicContact CG2-CG1 4.39Å; I376-V515 HydrophobicContact CG2-CG2 4.29Å; I376-T553 HydrophobicContact CD1-CG2 3.89Å |
| 377 | R | 84.3 | Confident | 83.4 | Confident | 105 Ų | 105 | 76.8 Ų | 76.8 | 40% | 0.396 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -53.7 | -50.1 | -179.5 | -169.1 | -178.5 | -178.2 | -171.5 | 0.9 | 112.2 | Y373 E374 K379 F380 D381 D603 | Y373-R377 PolarHBondContact O-N 3.41Å; E374-R377 PolarHBondContact O-N 3.15Å; E374-R377 IonicContact OE2-NH1 2.73Å; R377-K379 VanDerWaalsContact C-N 3.28Å; R377-K379 PolarHBondContact O-N 3.29Å; R377-F380 PolarHBondContact O-N 2.9Å; R377-D381 VanDerWaalsContact O-CB 3.3Å; R377-D381 WeakPolarHBondContact O-CB 3.41Å; R377-D381 PolarHBondContact O-N 3.48Å; R377-D603 IonicContact CZ-OD2 3.95Å; R377-D603 IonicContact NE-OD2 3Å; R377-D603 PolarHBondContact NE-OD2 3.11Å; R377-D603 IonicContact NH2-OD2 3.37Å; R377-D603 PolarHBondContact NH2-OD2 3.15Å |
| 378 | M | 81.7 | Confident | 83.3 | Confident | 86 Ų | 86 | 76 Ų | 76 | 42% | 0.424 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.7 | -28.5 | 179.1 | -72 | -170.3 | 74.3 | 0 | 0 | 114.3 | L367 E374 I376 | L367-M378 HydrophobicContact CD2-CG 4.3Å; L367-M378 HydrophobicContact CD2-SD 3.45Å; L367-M378 WeakPolarHBondContact CD2-SD 3.29Å; E374-M378 HydrophobicContact CG-CG 4.41Å; E374-M378 WeakPolarHBondContact O-CB 3.31Å; E374-M378 WeakPolarHBondContact O-CG 3.44Å; E374-M378 PolarHBondContact O-N 2.76Å; I376-M378 PolarHBondContact O-N 3.15Å |
| 379 | K | 81.8 | Confident | 83.3 | Confident | 98 Ų | 98 | 76.4 Ų | 76.4 | 43% | 0.426 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -84.1 | -24.9 | -179.9 | -70.6 | -60.5 | -176 | -156.9 | 0 | 113.4 | D364 Y375 I376 R377 | D364-K379 IonicContact OD1-NZ 2.76Å; D364-K379 PolarHBondContact OD1-NZ 3.09Å; Y375-K379 HydrophobicContact CD1-CG 4.15Å; Y375-K379 HydrophobicContact CE1-CG 3.73Å; Y375-K379 HydrophobicContact CE2-CG 4.43Å; Y375-K379 VanDerWaalsContact CZ-CE 3.4Å; Y375-K379 VanDerWaalsContact O-CG 3.27Å; Y375-K379 WeakPolarHBondContact O-CG 3.12Å; Y375-K379 PolarHBondContact O-N 3.35Å; Y375-K379 VanDerWaalsContact OH-CE 3.28Å; Y375-K379 WeakPolarHBondContact OH-CE 3.41Å; I376-K379 PolarHBondContact O-N 3.46Å; R377-K379 VanDerWaalsContact C-N 3.28Å; R377-K379 PolarHBondContact O-N 3.29Å |
| 380 | F | 76.1 | Confident | 83.3 | Confident | 45 Ų | 45 | 72.5 Ų | 72.5 | 20% | 0.197 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -105.2 | -2.8 | -179.4 | -69.6 | -80.7 | 0 | 0 | 0 | 113 | I376 R377 V382 V515 I519 N555 D557 | I376-F380 HydrophobicContact CG2-CD2 3.81Å; I376-F380 HydrophobicContact CG2-CE2 4.21Å; I376-F380 VanDerWaalsContact O-CD2 3.27Å; I376-F380 WeakPolarHBondContact O-CD2 3.45Å; I376-F380 PolarHBondContact O-N 2.95Å; I376-F380 VanDerWaalsContact O-N 3.08Å; R377-F380 PolarHBondContact O-N 2.9Å; F380-V382 PolarHBondContact O-N 2.89Å; F380-V515 HydrophobicContact CD2-CG1 4.36Å; F380-V515 HydrophobicContact CE2-CG1 3.62Å; F380-V515 HydrophobicContact CZ-CG1 3.76Å; F380-I519 HydrophobicContact CD1-CD1 4.2Å; F380-I519 HydrophobicContact CE1-CD1 3.25Å; F380-I519 HydrophobicContact CZ-CD1 3.63Å; F380-N555 WeakPolarHBondContact CB-ND2 3.44Å; F380-D557 WeakPolarHBondContact CD1-OD2 3.43Å |
| 381 | D | 74.4 | Confident | 83.2 | Confident | 43 Ų | 43 | 66.3 Ų | 66.3 | 23% | 0.23 | 32% | 0.322 | C | S | . | . | trans | -73.1 | 112.1 | 174.4 | -176.6 | -5.1 | 0 | 0 | 0 | 112 | R377 F383 E384 D385 | R377-D381 VanDerWaalsContact O-CB 3.3Å; R377-D381 WeakPolarHBondContact O-CB 3.41Å; R377-D381 PolarHBondContact O-N 3.48Å; D381-F383 PolarHBondContact O-N 3.33Å; D381-F383 WeakPolarHBondContact OD1-CA 3.43Å; D381-F383 VanDerWaalsContact OD1-CB 3.32Å; D381-F383 WeakPolarHBondContact OD1-CB 3.24Å; D381-F383 WeakPolarHBondContact OD1-CD2 3.4Å; D381-F383 PolarHBondContact OD1-N 3.14Å; D381-E384 HydrophobicContact CB-CB 4.17Å; D381-E384 HydrophobicContact CB-CG 4.19Å; D381-E384 PolarHBondContact O-N 3.28Å; D381-D385 PolarHBondContact O-N 3.24Å | ||
| 382 | V | 66.2 | Low | 83.3 | Confident | 96 Ų | 96 | 63 Ų | 63 | 58% | 0.582 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -58.8 | -30 | 177.1 | -175.8 | 0 | 0 | 0 | 0 | 112.2 | F380 F386 | F380-V382 PolarHBondContact O-N 2.89Å; V382-F386 HydrophobicContact CG1-CE2 4.08Å; V382-F386 WeakPolarHBondContact O-CD2 3.29Å; V382-F386 WeakPolarHBondContact O-CE2 3.32Å |
| 383 | F | 68.8 | Low | 83.5 | Confident | 155 Ų | 155 | 61.4 Ų | 61.4 | 68% | 0.68 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -74.2 | -35.5 | 178.8 | -64.3 | -71.7 | 0 | 0 | 0 | 113 | D381 D385 F386 | D381-F383 PolarHBondContact O-N 3.33Å; D381-F383 WeakPolarHBondContact OD1-CA 3.43Å; D381-F383 VanDerWaalsContact OD1-CB 3.32Å; D381-F383 WeakPolarHBondContact OD1-CB 3.24Å; D381-F383 WeakPolarHBondContact OD1-CD2 3.4Å; D381-F383 PolarHBondContact OD1-N 3.14Å; F383-D385 VanDerWaalsContact C-N 3.25Å; F383-D385 PolarHBondContact O-N 2.93Å; F383-F386 PolarHBondContact O-N 3.37Å |
| 384 | E | 73.5 | Confident | 83.8 | Confident | 69 Ų | 69 | 58.8 Ų | 58.8 | 32% | 0.322 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.7 | -34.9 | 174.8 | -82.9 | -62.5 | 149.3 | 0 | 0 | 111.2 | D381 F386 I387 S388 | D381-E384 HydrophobicContact CB-CB 4.17Å; D381-E384 HydrophobicContact CB-CG 4.19Å; D381-E384 PolarHBondContact O-N 3.28Å; E384-F386 VanDerWaalsContact C-N 3.33Å; E384-F386 PolarHBondContact O-N 3.09Å; E384-I387 CarbonylContact O-C 3.55Å; E384-I387 WeakPolarHBondContact O-CG1 3.46Å; E384-I387 PolarHBondContact O-N 3.42Å; E384-S388 VanDerWaalsContact O-CB 3.26Å; E384-S388 WeakPolarHBondContact O-CB 3.46Å; E384-S388 PolarHBondContact O-N 3.08Å |
| 385 | D | 74.8 | Confident | 84.2 | Confident | 79 Ų | 79 | 58.5 Ų | 58.5 | 42% | 0.422 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.9 | -37.1 | 177.1 | -90.9 | -23.7 | 0 | 0 | 0 | 113.7 | D381 F383 I387 T391 | D381-D385 PolarHBondContact O-N 3.24Å; F383-D385 VanDerWaalsContact C-N 3.25Å; F383-D385 PolarHBondContact O-N 2.93Å; D385-I387 PolarHBondContact O-N 3.02Å; D385-T391 HydrophobicContact CB-CG2 4.18Å; D385-T391 WeakPolarHBondContact O-CB 3.41Å; D385-T391 PolarHBondContact OD1-OG1 3.49Å |
| 386 | F | 72.7 | Confident | 84.6 | Confident | 144 Ų | 144 | 57.3 Ų | 57.3 | 63% | 0.632 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -17.4 | 175.5 | -69.7 | -69.9 | 0 | 0 | 0 | 113.2 | R320 Q323 V382 F383 E384 | R320-F386 PolarHBondContact NH1-O 3.46Å; Q323-F386 PolarHBondContact NE2-O 2.68Å; V382-F386 HydrophobicContact CG1-CE2 4.08Å; V382-F386 WeakPolarHBondContact O-CD2 3.29Å; V382-F386 WeakPolarHBondContact O-CE2 3.32Å; F383-F386 PolarHBondContact O-N 3.37Å; E384-F386 VanDerWaalsContact C-N 3.33Å; E384-F386 PolarHBondContact O-N 3.09Å |
| 387 | I | 83.1 | Confident | 85 | Confident | 62 Ų | 62 | 57.1 Ų | 57.1 | 32% | 0.318 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | -12.1 | -175.7 | 72.1 | 169.7 | 0 | 0 | 0 | 116.8 | E384 D385 | E384-I387 CarbonylContact O-C 3.55Å; E384-I387 WeakPolarHBondContact O-CG1 3.46Å; E384-I387 PolarHBondContact O-N 3.42Å; D385-I387 PolarHBondContact O-N 3.02Å |
| 388 | S | 88.6 | Confident | 85.6 | Confident | 24 Ų | 24 | 54.9 Ų | 54.9 | 17% | 0.168 | 28% | 0.276 | C | S | . | . | trans | -69.3 | 128.1 | -179.3 | 176.1 | 0 | 0 | 0 | 0 | 113.1 | Q323 E384 T390 T391 A392 | Q323-S388 WeakPolarHBondContact CG-O 3.47Å; E384-S388 VanDerWaalsContact O-CB 3.26Å; E384-S388 WeakPolarHBondContact O-CB 3.46Å; E384-S388 PolarHBondContact O-N 3.08Å; S388-T390 PolarHBondContact O-N 2.86Å; S388-T390 WeakPolarHBondContact OG-CB 3.37Å; S388-T390 PolarHBondContact OG-N 3.34Å; S388-T390 VanDerWaalsContact OG-N 3.12Å; S388-T391 WeakPolarHBondContact CB-OG1 3.36Å; S388-T391 PolarHBondContact OG-N 3.05Å; S388-T391 PolarHBondContact OG-OG1 3.05Å; S388-A392 PolarHBondContact O-N 3.08Å | ||
| 389 | P | 93.8 | Very high | 86.3 | Confident | 20 Ų | 20 | 51.5 Ų | 51.5 | 13% | 0.13 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.1 | -27.6 | 167 | -19.9 | 32 | 0 | 0 | 0 | 112.9 | P319 L322 Q323 L326 L357 A393 | P319-P389 HydrophobicContact CB-CG 3.78Å; P319-P389 WeakPolarHBondContact O-CG 3.47Å; L322-P389 HydrophobicContact CB-CB 4.45Å; L322-P389 HydrophobicContact CD2-CB 4.2Å; L322-P389 HydrophobicContact CG-CB 4.28Å; Q323-P389 HydrophobicContact CB-CB 4.46Å; Q323-P389 HydrophobicContact CB-CG 4.31Å; L326-P389 WeakPolarHBondContact CD1-O 3.41Å; L357-P389 HydrophobicContact CD1-CB 4.39Å; L357-P389 HydrophobicContact CD2-CB 4.1Å; P389-A393 VanDerWaalsContact O-CB 3.27Å; P389-A393 WeakPolarHBondContact O-CB 3.42Å; P389-A393 PolarHBondContact O-N 3.41Å |
| 390 | T | 93.3 | Very high | 86.9 | Confident | 39 Ų | 39 | 46.9 Ų | 46.9 | 24% | 0.239 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.5 | -45.8 | -179.7 | -56.8 | 0 | 0 | 0 | 0 | 110.6 | L357 M358 S388 A393 Q394 | L357-T390 PolarHBondContact O-OG1 3.02Å; M358-T390 HydrophobicContact CG-CG2 4.45Å; S388-T390 PolarHBondContact O-N 2.86Å; S388-T390 WeakPolarHBondContact OG-CB 3.37Å; S388-T390 PolarHBondContact OG-N 3.34Å; S388-T390 VanDerWaalsContact OG-N 3.12Å; T390-A393 WeakPolarHBondContact O-CB 3.48Å; T390-A393 PolarHBondContact O-N 3.19Å; T390-A393 VanDerWaalsContact O-N 3.11Å; T390-Q394 WeakPolarHBondContact O-CG 3.27Å; T390-Q394 PolarHBondContact O-N 2.97Å |
| 391 | T | 92.7 | Very high | 87.9 | Confident | 26 Ų | 26 | 44.7 Ų | 44.7 | 16% | 0.16 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.3 | -44.4 | 176.5 | -45.9 | 0 | 0 | 0 | 0 | 110.2 | D385 S388 A393 Q394 T395 | D385-T391 HydrophobicContact CB-CG2 4.18Å; D385-T391 WeakPolarHBondContact O-CB 3.41Å; D385-T391 PolarHBondContact OD1-OG1 3.49Å; S388-T391 WeakPolarHBondContact CB-OG1 3.36Å; S388-T391 PolarHBondContact OG-N 3.05Å; S388-T391 PolarHBondContact OG-OG1 3.05Å; T391-A393 VanDerWaalsContact C-N 3.29Å; T391-A393 PolarHBondContact O-N 3.22Å; T391-Q394 WeakPolarHBondContact O-CB 3.34Å; T391-Q394 PolarHBondContact O-N 3.15Å; T391-Q394 VanDerWaalsContact O-N 3.16Å; T391-T395 PolarHBondContact O-N 3.38Å; T391-T395 PolarHBondContact O-OG1 2.87Å |
| 392 | A | 95.4 | Very high | 88.7 | Confident | 4 Ų | 4 | 43.4 Ų | 43.4 | 3% | 0.033 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.2 | -34.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q323 L326 N327 S388 L396 | Q323-A392 HydrophobicContact CG-CB 3.92Å; L326-A392 HydrophobicContact CB-CB 3.95Å; L326-A392 HydrophobicContact CD1-CB 4.21Å; N327-A392 VanDerWaalsContact OD1-CB 3.26Å; N327-A392 WeakPolarHBondContact OD1-CB 3.31Å; S388-A392 PolarHBondContact O-N 3.08Å; A392-L396 WeakPolarHBondContact O-CB 3.02Å; A392-L396 PolarHBondContact O-N 2.87Å |
| 393 | A | 97.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70 | -39.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | L326 I354 L357 P389 T390 T391 L396 L397 | L326-A393 HydrophobicContact CD1-CB 4Å; I354-A393 HydrophobicContact CB-CB 4.34Å; I354-A393 HydrophobicContact CG1-CB 4.18Å; I354-A393 HydrophobicContact CG2-CB 4.1Å; L357-A393 HydrophobicContact CB-CB 4.27Å; L357-A393 HydrophobicContact CD1-CB 3.89Å; P389-A393 VanDerWaalsContact O-CB 3.27Å; P389-A393 WeakPolarHBondContact O-CB 3.42Å; P389-A393 PolarHBondContact O-N 3.41Å; T390-A393 WeakPolarHBondContact O-CB 3.48Å; T390-A393 PolarHBondContact O-N 3.19Å; T390-A393 VanDerWaalsContact O-N 3.11Å; T391-A393 VanDerWaalsContact C-N 3.29Å; T391-A393 PolarHBondContact O-N 3.22Å; A393-L396 PolarHBondContact O-N 2.9Å; A393-L397 WeakPolarHBondContact O-CB 3.46Å; A393-L397 PolarHBondContact O-N 3.04Å |
| 394 | Q | 95.5 | Very high | 91 | Very high | 41 Ų | 41 | 34 Ų | 34 | 19% | 0.192 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.8 | -48.4 | 172.6 | -70.7 | 170.2 | -2.9 | 0 | 0 | 111.1 | M358 T390 T391 L396 L397 F398 H434 | M358-Q394 HydrophobicContact CE-CG 3.66Å; M358-Q394 HydrophobicContact SD-CG 4.19Å; T390-Q394 WeakPolarHBondContact O-CG 3.27Å; T390-Q394 PolarHBondContact O-N 2.97Å; T391-Q394 WeakPolarHBondContact O-CB 3.34Å; T391-Q394 PolarHBondContact O-N 3.15Å; T391-Q394 VanDerWaalsContact O-N 3.16Å; Q394-L396 VanDerWaalsContact C-N 3.32Å; Q394-L396 PolarHBondContact O-N 3.34Å; Q394-L397 WeakPolarHBondContact O-CB 3.29Å; Q394-L397 PolarHBondContact O-N 3.2Å; Q394-L397 VanDerWaalsContact O-N 3.13Å; Q394-F398 WeakPolarHBondContact O-CB 3.26Å; Q394-F398 PolarHBondContact O-N 3.15Å; Q394-H434 PolarHBondContact NE2-NE2 3.27Å |
| 395 | T | 95.8 | Very high | 91.7 | Very high | 63 Ų | 63 | 36 Ų | 36 | 39% | 0.387 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -59.8 | -42.9 | 177.9 | -48.9 | 0 | 0 | 0 | 0 | 111.5 | N330 T391 F398 T399 | N330-T395 PolarHBondContact OD1-O 3.3Å; T391-T395 PolarHBondContact O-N 3.38Å; T391-T395 PolarHBondContact O-OG1 2.87Å; T395-F398 PolarHBondContact O-N 3.13Å; T395-T399 WeakPolarHBondContact O-CB 3.47Å; T395-T399 PolarHBondContact O-N 2.93Å; T395-T399 PolarHBondContact O-OG1 2.95Å |
| 396 | L | 97.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.9 | -42.3 | 175.1 | 174.4 | 59.3 | 0 | 0 | 0 | 112.1 | L326 I329 N330 V333 I349 I354 A392 A393 Q394 A400 | L326-L396 HydrophobicContact CD2-CD2 3.8Å; I329-L396 HydrophobicContact CB-CD2 4.36Å; I329-L396 HydrophobicContact CG2-CD1 3.99Å; I329-L396 HydrophobicContact CG2-CD2 3.9Å; N330-L396 HydrophobicContact CB-CB 4.32Å; N330-L396 HydrophobicContact CB-CD1 4.09Å; N330-L396 WeakPolarHBondContact OD1-CA 3.34Å; V333-L396 HydrophobicContact CG2-CD1 3.7Å; I349-L396 HydrophobicContact CG2-CD2 4.29Å; I354-L396 HydrophobicContact CD1-CB 4.35Å; I354-L396 HydrophobicContact CD1-CD2 3.87Å; I354-L396 HydrophobicContact CD1-CG 3.9Å; I354-L396 HydrophobicContact CG1-CD2 4.49Å; A392-L396 WeakPolarHBondContact O-CB 3.02Å; A392-L396 PolarHBondContact O-N 2.87Å; A393-L396 PolarHBondContact O-N 2.9Å; Q394-L396 VanDerWaalsContact C-N 3.32Å; Q394-L396 PolarHBondContact O-N 3.34Å; L396-A400 WeakPolarHBondContact O-CB 3.41Å; L396-A400 PolarHBondContact O-N 3.02Å |
| 397 | L | 97.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.5 | -48.8 | 177.2 | -178.3 | 65.4 | 0 | 0 | 0 | 111.2 | I350 I354 M358 A393 Q394 A400 C401 T411 M435 L439 | I350-L397 HydrophobicContact CD1-CD1 4.38Å; I350-L397 HydrophobicContact CG1-CD1 4.19Å; I350-L397 HydrophobicContact CG2-CD1 4.14Å; I354-L397 HydrophobicContact CD1-CB 4.38Å; I354-L397 HydrophobicContact CG2-CB 4.1Å; I354-L397 HydrophobicContact CG2-CD1 4.45Å; I354-L397 HydrophobicContact CG2-CD2 4.36Å; M358-L397 HydrophobicContact CE-CD2 4.48Å; M358-L397 HydrophobicContact SD-CD2 3.94Å; A393-L397 WeakPolarHBondContact O-CB 3.46Å; A393-L397 PolarHBondContact O-N 3.04Å; Q394-L397 WeakPolarHBondContact O-CB 3.29Å; Q394-L397 PolarHBondContact O-N 3.2Å; Q394-L397 VanDerWaalsContact O-N 3.13Å; L397-A400 PolarHBondContact O-N 3.37Å; L397-C401 VanDerWaalsContact O-CB 3.3Å; L397-C401 WeakPolarHBondContact O-CB 3.39Å; L397-C401 PolarHBondContact O-N 3.03Å; L397-C401 PolarHBondContact O-SG 3.3Å; L397-T411 HydrophobicContact CD1-CG2 3.94Å; L397-M435 HydrophobicContact CD1-CE 3.56Å; L397-M435 HydrophobicContact CD2-CB 3.88Å; L397-M435 HydrophobicContact CD2-CE 3.64Å; L397-M435 HydrophobicContact CD2-CG 3.79Å; L397-M435 HydrophobicContact CG-CE 4.26Å; L397-L439 HydrophobicContact CD2-CD1 4.24Å; L397-L439 HydrophobicContact CD2-CG 4.3Å; L397-L439 HydrophobicContact CG-CD1 4.3Å; L397-L439 HydrophobicContact CG-CD2 4.22Å; L397-L439 HydrophobicContact CG-CG 4.4Å |
| 398 | F | 96.8 | Very high | 94.1 | Very high | 59 Ų | 59 | 28 Ų | 28 | 26% | 0.259 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -58.5 | -54.4 | 178.4 | -175.8 | -85.4 | 0 | 0 | 0 | 110.7 | Q394 T395 A400 C401 S402 S438 E441 I442 | Q394-F398 WeakPolarHBondContact O-CB 3.26Å; Q394-F398 PolarHBondContact O-N 3.15Å; T395-F398 PolarHBondContact O-N 3.13Å; F398-A400 PolarHBondContact O-N 2.89Å; F398-C401 PolarHBondContact O-N 2.94Å; F398-S402 VanDerWaalsContact O-CB 3.26Å; F398-S402 WeakPolarHBondContact O-CB 3.46Å; F398-S402 PolarHBondContact O-N 2.73Å; F398-S438 WeakPolarHBondContact CD2-O 3.44Å; F398-E441 HydrophobicContact CE2-CB 4.24Å; F398-E441 WeakPolarHBondContact CZ-OE2 3.4Å; F398-I442 HydrophobicContact CD1-CD1 4.3Å; F398-I442 HydrophobicContact CD2-CD1 3.58Å; F398-I442 HydrophobicContact CD2-CG1 4.19Å; F398-I442 HydrophobicContact CE1-CD1 4.32Å; F398-I442 HydrophobicContact CE2-CD1 3.62Å; F398-I442 HydrophobicContact CE2-CG1 3.7Å; F398-I442 HydrophobicContact CG-CD1 3.95Å; F398-I442 HydrophobicContact CZ-CD1 4Å; F398-I442 HydrophobicContact CZ-CG1 3.93Å |
| 399 | T | 95.4 | Very high | 94.3 | Very high | 15 Ų | 15 | 33.4 Ų | 33.4 | 9% | 0.092 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.9 | -44.6 | -179 | -56 | 0 | 0 | 0 | 0 | 111.6 | N330 V333 T395 S402 K403 | N330-T399 WeakPolarHBondContact OD1-CB 3.43Å; N330-T399 WeakPolarHBondContact OD1-CG2 3.46Å; N330-T399 PolarHBondContact OD1-OG1 3.35Å; V333-T399 HydrophobicContact CB-CG2 4.17Å; V333-T399 HydrophobicContact CG1-CG2 4.04Å; T395-T399 WeakPolarHBondContact O-CB 3.47Å; T395-T399 PolarHBondContact O-N 2.93Å; T395-T399 PolarHBondContact O-OG1 2.95Å; T399-S402 PolarHBondContact O-N 3.32Å; T399-K403 HydrophobicContact CG2-CD 3.87Å; T399-K403 HydrophobicContact CG2-CG 4.39Å; T399-K403 WeakPolarHBondContact O-CB 3.47Å; T399-K403 PolarHBondContact O-N 3.15Å |
| 400 | A | 96.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.6 | -37.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | V333 I346 L396 L397 F398 R404 V407 | V333-A400 HydrophobicContact CG1-CB 4.38Å; V333-A400 HydrophobicContact CG2-CB 4.41Å; I346-A400 HydrophobicContact CD1-CB 4.27Å; I346-A400 HydrophobicContact CG1-CB 4.38Å; L396-A400 WeakPolarHBondContact O-CB 3.41Å; L396-A400 PolarHBondContact O-N 3.02Å; L397-A400 PolarHBondContact O-N 3.37Å; F398-A400 PolarHBondContact O-N 2.89Å; A400-R404 PolarHBondContact O-N 3.12Å; A400-V407 HydrophobicContact CB-CG1 4.12Å; A400-V407 WeakPolarHBondContact O-CB 3.4Å |
| 401 | C | 95.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -78 | -29.2 | 178.5 | -68.5 | 0 | 0 | 0 | 0 | 113.3 | L397 F398 L408 L439 I442 | L397-C401 VanDerWaalsContact O-CB 3.3Å; L397-C401 WeakPolarHBondContact O-CB 3.39Å; L397-C401 PolarHBondContact O-N 3.03Å; L397-C401 PolarHBondContact O-SG 3.3Å; F398-C401 PolarHBondContact O-N 2.94Å; C401-L408 HydrophobicContact CB-CB 4.13Å; C401-L408 HydrophobicContact CB-CD1 4.03Å; C401-L439 HydrophobicContact CB-CD1 4.49Å; C401-L439 HydrophobicContact CB-CD2 3.73Å; C401-I442 HydrophobicContact CB-CD1 4.36Å |
| 402 | S | 92.7 | Very high | 94.8 | Very high | 15 Ų | 15 | 35.2 Ų | 35.2 | 11% | 0.105 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -74.8 | -54.2 | 176.5 | -177 | 0 | 0 | 0 | 0 | 110.8 | F398 T399 T898 | F398-S402 VanDerWaalsContact O-CB 3.26Å; F398-S402 WeakPolarHBondContact O-CB 3.46Å; F398-S402 PolarHBondContact O-N 2.73Å; T399-S402 PolarHBondContact O-N 3.32Å; S402-T898 WeakPolarHBondContact OG-CG2 3.37Å |
| 403 | K | 89.9 | Confident | 94.8 | Very high | 54 Ų | 54 | 36.9 Ų | 36.9 | 24% | 0.235 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -87.5 | -21.4 | -167.4 | -60.4 | -171.6 | 179.5 | -179.5 | 0 | 115.2 | T399 L901 D907 | T399-K403 HydrophobicContact CG2-CD 3.87Å; T399-K403 HydrophobicContact CG2-CG 4.39Å; T399-K403 WeakPolarHBondContact O-CB 3.47Å; T399-K403 PolarHBondContact O-N 3.15Å; K403-L901 HydrophobicContact CB-CD1 4.12Å; K403-L901 WeakPolarHBondContact O-CB 3.5Å; K403-L901 PolarHBondContact O-N 3.07Å; K403-D907 WeakPolarHBondContact CE-OD2 3.18Å; K403-D907 IonicContact NZ-OD2 3.14Å; K403-D907 PolarHBondContact NZ-OD2 3.46Å |
| 404 | R | 91.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | B | Isolated β-bridge | trans | -122.6 | 126.3 | -169 | -62.5 | -63 | -169.6 | -174.1 | -7.2 | 113.8 | V333 S334 H335 W339 A400 V407 G902 E905 | V333-R404 HydrophobicContact CG1-CG 3.84Å; V333-R404 PolarHBondContact O-NE 2.89Å; V333-R404 PolarHBondContact O-NH2 3.22Å; S334-R404 PolarHBondContact O-NH2 2.9Å; S334-R404 VanDerWaalsContact O-NH2 3.16Å; H335-R404 VanDerWaalsContact C-NH2 3.32Å; W339-R404 HydrophobicContact CD2-CG 3.83Å; W339-R404 HydrophobicContact CE3-CG 3.96Å; W339-R404 VanDerWaalsContact CG-NE 3.34Å; W339-R404 HydrophobicContact CH2-CB 3.68Å; W339-R404 HydrophobicContact CH2-CG 3.72Å; W339-R404 HydrophobicContact CZ2-CB 3.45Å; W339-R404 VanDerWaalsContact CZ2-CB 3.45Å; W339-R404 HydrophobicContact CZ2-CG 3.58Å; W339-R404 HydrophobicContact CZ3-CB 4.36Å; W339-R404 HydrophobicContact CZ3-CG 3.91Å; A400-R404 PolarHBondContact O-N 3.12Å; R404-V407 HydrophobicContact CB-CG2 3.88Å; R404-V407 WeakPolarHBondContact O-CB 3.46Å; R404-V407 WeakPolarHBondContact O-CG2 3.42Å; R404-V407 PolarHBondContact O-N 3.36Å; R404-G902 PolarHBondContact NH1-O 3.44Å; R404-E905 PolarHBondContact NH1-O 2.93Å; R404-E905 PolarHBondContact NH2-O 3.44Å |
| 405 | K | 88.6 | Confident | 94.9 | Very high | 109 Ų | 109 | 36.5 Ų | 36.5 | 47% | 0.474 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 146.6 | 179.8 | -55.9 | -167.6 | 170.8 | 159.2 | 0 | 112.7 | V407 E900 | K405-V407 PolarHBondContact O-N 2.73Å; K405-E900 WeakPolarHBondContact CE-O 3.48Å; K405-E900 HydrophobicContact CG-CB 3.97Å; K405-E900 WeakPolarHBondContact CG-OE2 3.19Å; K405-E900 PolarHBondContact NZ-O 3.15Å |
| 406 | E | 90.2 | Very high | 94.9 | Very high | 107 Ų | 107 | 40.3 Ų | 40.3 | 50% | 0.5 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | -16.6 | -179.3 | -49.9 | 177.9 | 179.7 | 0 | 0 | 116.4 | K410 | E406-K410 WeakPolarHBondContact O-CG 3.33Å; E406-K410 PolarHBondContact O-N 3.09Å; E406-K410 VanDerWaalsContact O-N 3.12Å; E406-K410 IonicContact OE2-NZ 2.81Å; E406-K410 PolarHBondContact OE2-NZ 3.21Å |
| 407 | V | 95.6 | Very high | 94.8 | Very high | 6 Ų | 6 | 46.7 Ų | 46.7 | 4% | 0.036 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.3 | -53.9 | -177.4 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | W339 I350 A400 R404 K405 Q409 K410 T411 | W339-V407 HydrophobicContact CH2-CG2 3.8Å; W339-V407 HydrophobicContact CZ2-CG2 4.13Å; I350-V407 HydrophobicContact CD1-CG1 3.67Å; A400-V407 HydrophobicContact CB-CG1 4.12Å; A400-V407 WeakPolarHBondContact O-CB 3.4Å; R404-V407 HydrophobicContact CB-CG2 3.88Å; R404-V407 WeakPolarHBondContact O-CB 3.46Å; R404-V407 WeakPolarHBondContact O-CG2 3.42Å; R404-V407 PolarHBondContact O-N 3.36Å; K405-V407 PolarHBondContact O-N 2.73Å; V407-Q409 VanDerWaalsContact C-N 3.3Å; V407-Q409 PolarHBondContact O-N 2.87Å; V407-K410 PolarHBondContact O-N 3.03Å; V407-K410 VanDerWaalsContact O-N 3.14Å; V407-T411 WeakPolarHBondContact O-CB 3.38Å; V407-T411 PolarHBondContact O-N 3.16Å; V407-T411 PolarHBondContact O-OG1 3.41Å |
| 408 | L | 95.2 | Very high | 94.7 | Very high | 6 Ų | 6 | 47.3 Ų | 47.3 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -53.5 | -45.7 | 177.9 | 179.3 | 62.9 | 0 | 0 | 0 | 112.4 | C401 K410 T411 M412 L439 I442 L443 K446 Y449 | C401-L408 HydrophobicContact CB-CB 4.13Å; C401-L408 HydrophobicContact CB-CD1 4.03Å; L408-K410 PolarHBondContact O-N 2.97Å; L408-T411 PolarHBondContact O-N 3.2Å; L408-M412 HydrophobicContact CD1-CG 3.98Å; L408-M412 HydrophobicContact CG-CG 4.44Å; L408-M412 WeakPolarHBondContact O-CB 3.44Å; L408-M412 WeakPolarHBondContact O-CG 3.48Å; L408-M412 PolarHBondContact O-N 3.29Å; L408-L439 HydrophobicContact CD1-CD1 4.24Å; L408-I442 HydrophobicContact CD2-CG2 3.89Å; L408-L443 HydrophobicContact CD1-CD2 4.05Å; L408-K446 HydrophobicContact CD2-CD 3.63Å; L408-Y449 HydrophobicContact CD2-CD2 4.17Å; L408-Y449 HydrophobicContact CD2-CE2 3.62Å; L408-Y449 HydrophobicContact CG-CE2 4.02Å |
| 409 | Q | 94.1 | Very high | 94.6 | Very high | 136 Ų | 136 | 45.3 Ų | 45.3 | 64% | 0.636 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -63 | -42.5 | -179.3 | -171.5 | -176.4 | 6.2 | 0 | 0 | 112.2 | V407 G413 Y449 | V407-Q409 VanDerWaalsContact C-N 3.3Å; V407-Q409 PolarHBondContact O-N 2.87Å; Q409-G413 PolarHBondContact O-N 3.43Å; Q409-Y449 WeakPolarHBondContact CA-OH 3.42Å |
| 410 | K | 96.1 | Very high | 94.5 | Very high | 100 Ų | 100 | 47.5 Ų | 47.5 | 44% | 0.435 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -70.6 | -38.8 | 178.3 | -69.6 | 171.2 | -172.8 | 157.6 | 0 | 111.7 | E406 V407 L408 G413 F414 | E406-K410 WeakPolarHBondContact O-CG 3.33Å; E406-K410 PolarHBondContact O-N 3.09Å; E406-K410 VanDerWaalsContact O-N 3.12Å; E406-K410 IonicContact OE2-NZ 2.81Å; E406-K410 PolarHBondContact OE2-NZ 3.21Å; V407-K410 PolarHBondContact O-N 3.03Å; V407-K410 VanDerWaalsContact O-N 3.14Å; L408-K410 PolarHBondContact O-N 2.97Å; K410-G413 PolarHBondContact O-N 3Å; K410-F414 WeakPolarHBondContact O-CB 3.33Å; K410-F414 PolarHBondContact O-N 3.15Å |
| 411 | T | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60 | -52.7 | 173.7 | -60.6 | 0 | 0 | 0 | 0 | 111 | I350 L397 V407 L408 G413 F414 C415 M435 L439 | I350-T411 HydrophobicContact CG2-CG2 4.43Å; L397-T411 HydrophobicContact CD1-CG2 3.94Å; V407-T411 WeakPolarHBondContact O-CB 3.38Å; V407-T411 PolarHBondContact O-N 3.16Å; V407-T411 PolarHBondContact O-OG1 3.41Å; L408-T411 PolarHBondContact O-N 3.2Å; T411-G413 VanDerWaalsContact C-N 3.31Å; T411-G413 PolarHBondContact O-N 3.42Å; T411-F414 WeakPolarHBondContact O-CB 3.45Å; T411-F414 PolarHBondContact O-N 3.05Å; T411-F414 VanDerWaalsContact O-N 3.08Å; T411-C415 PolarHBondContact O-N 3.37Å; T411-C415 PolarHBondContact O-SG 3.36Å; T411-C415 VanDerWaalsContact O-SG 3.42Å; T411-M435 HydrophobicContact CG2-CE 3.6Å; T411-L439 HydrophobicContact CG2-CD1 4.1Å |
| 412 | M | 96 | Very high | 93.9 | Very high | 23 Ų | 23 | 57.5 Ų | 57.5 | 11% | 0.113 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.3 | -37 | 178.4 | -69.6 | -54.4 | -64 | 0 | 0 | 112.3 | L408 F414 C415 Y416 I436 L443 Y449 | L408-M412 HydrophobicContact CD1-CG 3.98Å; L408-M412 HydrophobicContact CG-CG 4.44Å; L408-M412 WeakPolarHBondContact O-CB 3.44Å; L408-M412 WeakPolarHBondContact O-CG 3.48Å; L408-M412 PolarHBondContact O-N 3.29Å; M412-F414 VanDerWaalsContact C-N 3.32Å; M412-F414 PolarHBondContact O-N 3.22Å; M412-C415 PolarHBondContact O-N 3.15Å; M412-Y416 VanDerWaalsContact O-CB 3.22Å; M412-Y416 WeakPolarHBondContact O-CB 3.4Å; M412-Y416 PolarHBondContact O-N 2.99Å; M412-I436 HydrophobicContact CE-CD1 4.37Å; M412-I436 HydrophobicContact CE-CG1 4.02Å; M412-I436 HydrophobicContact SD-CG1 4.17Å; M412-L443 HydrophobicContact CE-CD1 4.19Å; M412-L443 HydrophobicContact CE-CD2 4.24Å; M412-L443 HydrophobicContact CG-CD2 4.17Å; M412-L443 HydrophobicContact SD-CD1 4.09Å; M412-L443 HydrophobicContact SD-CD2 3.99Å; M412-Y449 HydrophobicContact CB-CE1 4.02Å; M412-Y449 HydrophobicContact CG-CD1 4.46Å; M412-Y449 HydrophobicContact CG-CE1 3.82Å |
| 413 | G | 96.1 | Very high | 93.7 | Very high | 40 Ų | 40 | 64.1 Ų | 64.1 | 41% | 0.412 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.9 | -39.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q409 K410 T411 Q417 | Q409-G413 PolarHBondContact O-N 3.43Å; K410-G413 PolarHBondContact O-N 3Å; T411-G413 VanDerWaalsContact C-N 3.31Å; T411-G413 PolarHBondContact O-N 3.42Å; G413-Q417 PolarHBondContact O-N 2.64Å; G413-Q417 VanDerWaalsContact O-N 3.08Å |
| 414 | F | 97.3 | Very high | 93.7 | Very high | 32 Ų | 32 | 62.1 Ų | 62.1 | 14% | 0.14 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.7 | -49.6 | 175.1 | 170.6 | -108 | 0 | 0 | 0 | 112.2 | Q351 F355 K410 T411 M412 Y416 Q417 I418 M435 | Q351-F414 HydrophobicContact CB-CE2 4.34Å; Q351-F414 HydrophobicContact CB-CZ 4.22Å; Q351-F414 HydrophobicContact CG-CD1 4.21Å; Q351-F414 HydrophobicContact CG-CD2 3.87Å; Q351-F414 HydrophobicContact CG-CE1 4.15Å; Q351-F414 HydrophobicContact CG-CE2 3.79Å; Q351-F414 HydrophobicContact CG-CG 4.05Å; Q351-F414 HydrophobicContact CG-CZ 3.92Å; F355-F414 HydrophobicContact CB-CE1 3.99Å; F355-F414 HydrophobicContact CB-CZ 4.4Å; F355-F414 HydrophobicContact CD1-CE1 4.11Å; F355-F414 AromaticContact CD1-CZ 3.86Å; F355-F414 HydrophobicContact CD1-CZ 3.86Å; F355-F414 AromaticContact CD2-CE1 3.85Å; F355-F414 HydrophobicContact CD2-CE1 3.85Å; F355-F414 HydrophobicContact CD2-CZ 4.37Å; F355-F414 HydrophobicContact CE1-CZ 4.21Å; F355-F414 HydrophobicContact CE2-CE1 4.33Å; F355-F414 AromaticContact CG-CE1 3.7Å; F355-F414 HydrophobicContact CG-CE1 3.7Å; F355-F414 AromaticContact CG-CZ 3.95Å; F355-F414 HydrophobicContact CG-CZ 3.95Å; K410-F414 WeakPolarHBondContact O-CB 3.33Å; K410-F414 PolarHBondContact O-N 3.15Å; T411-F414 WeakPolarHBondContact O-CB 3.45Å; T411-F414 PolarHBondContact O-N 3.05Å; T411-F414 VanDerWaalsContact O-N 3.08Å; M412-F414 VanDerWaalsContact C-N 3.32Å; M412-F414 PolarHBondContact O-N 3.22Å; F414-Y416 VanDerWaalsContact C-N 3.32Å; F414-Y416 PolarHBondContact O-N 3.45Å; F414-Q417 WeakPolarHBondContact O-CB 3.48Å; F414-Q417 PolarHBondContact O-N 3.48Å; F414-I418 HydrophobicContact CD1-CD1 4.26Å; F414-I418 HydrophobicContact CD2-CD1 4.35Å; F414-I418 HydrophobicContact CE1-CD1 3.72Å; F414-I418 HydrophobicContact CE2-CD1 3.82Å; F414-I418 HydrophobicContact CE2-CG1 4.49Å; F414-I418 HydrophobicContact CZ-CD1 3.49Å; F414-I418 VanDerWaalsContact CZ-CD1 3.49Å; F414-I418 PolarHBondContact O-N 3.13Å; F414-M435 HydrophobicContact CE1-SD 4.46Å |
| 415 | C | 96.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.6 | -44.1 | 177 | -62.6 | 0 | 0 | 0 | 0 | 111.3 | T411 M412 Q417 I418 L419 A432 I436 | T411-C415 PolarHBondContact O-N 3.37Å; T411-C415 PolarHBondContact O-SG 3.36Å; T411-C415 VanDerWaalsContact O-SG 3.42Å; M412-C415 PolarHBondContact O-N 3.15Å; C415-Q417 VanDerWaalsContact C-N 3.33Å; C415-Q417 PolarHBondContact O-N 3.11Å; C415-I418 PolarHBondContact O-N 3.37Å; C415-I418 VanDerWaalsContact O-N 3.15Å; C415-L419 WeakPolarHBondContact O-CG 3.43Å; C415-L419 PolarHBondContact O-N 2.79Å; C415-A432 HydrophobicContact CB-CB 4.3Å; C415-I436 HydrophobicContact CB-CD1 3.89Å; C415-I436 HydrophobicContact CB-CG1 4.02Å |
| 416 | Y | 95 | Very high | 94.1 | Very high | 144 Ų | 144 | 63 Ų | 63 | 57% | 0.565 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -61.4 | -39.2 | 177.6 | -176.5 | -101 | 0 | 0 | 0 | 112.8 | M412 F414 I418 L419 T420 | M412-Y416 VanDerWaalsContact O-CB 3.22Å; M412-Y416 WeakPolarHBondContact O-CB 3.4Å; M412-Y416 PolarHBondContact O-N 2.99Å; F414-Y416 VanDerWaalsContact C-N 3.32Å; F414-Y416 PolarHBondContact O-N 3.45Å; Y416-I418 VanDerWaalsContact C-N 3.3Å; Y416-I418 PolarHBondContact O-N 3.24Å; Y416-L419 PolarHBondContact O-N 3.48Å; Y416-T420 HydrophobicContact CD1-CG2 4.28Å; Y416-T420 HydrophobicContact CD2-CG2 4.12Å; Y416-T420 HydrophobicContact CE1-CG2 3.85Å; Y416-T420 HydrophobicContact CE2-CG2 3.67Å; Y416-T420 HydrophobicContact CG-CG2 4.41Å; Y416-T420 WeakPolarHBondContact O-CB 3.32Å; Y416-T420 WeakPolarHBondContact O-CG2 3.38Å; Y416-T420 PolarHBondContact O-N 3.02Å; Y416-T420 PolarHBondContact O-OG1 3.47Å |
| 417 | Q | 95.9 | Very high | 94.3 | Very high | 134 Ų | 134 | 61 Ų | 61 | 63% | 0.626 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -59.9 | -41.2 | 175.2 | -177.6 | -179.1 | -12.7 | 0 | 0 | 111.6 | G413 F414 C415 T420 E421 | G413-Q417 PolarHBondContact O-N 2.64Å; G413-Q417 VanDerWaalsContact O-N 3.08Å; F414-Q417 WeakPolarHBondContact O-CB 3.48Å; F414-Q417 PolarHBondContact O-N 3.48Å; C415-Q417 VanDerWaalsContact C-N 3.33Å; C415-Q417 PolarHBondContact O-N 3.11Å; Q417-T420 PolarHBondContact O-OG1 3.24Å; Q417-E421 PolarHBondContact O-N 3.38Å |
| 418 | I | 95.8 | Very high | 94.4 | Very high | 13 Ų | 13 | 65.5 Ų | 65.5 | 7% | 0.067 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -69 | -45.8 | 178.4 | -64.8 | 171 | 0 | 0 | 0 | 111 | F355 F414 C415 Y416 T420 E421 A424 K428 A432 | F355-I418 HydrophobicContact CD2-CD1 4.49Å; F355-I418 HydrophobicContact CE1-CD1 4.05Å; F355-I418 HydrophobicContact CE2-CD1 3.71Å; F355-I418 HydrophobicContact CZ-CD1 3.46Å; F355-I418 VanDerWaalsContact CZ-CD1 3.46Å; F414-I418 HydrophobicContact CD1-CD1 4.26Å; F414-I418 HydrophobicContact CD2-CD1 4.35Å; F414-I418 HydrophobicContact CE1-CD1 3.72Å; F414-I418 HydrophobicContact CE2-CD1 3.82Å; F414-I418 HydrophobicContact CE2-CG1 4.49Å; F414-I418 HydrophobicContact CZ-CD1 3.49Å; F414-I418 VanDerWaalsContact CZ-CD1 3.49Å; F414-I418 PolarHBondContact O-N 3.13Å; C415-I418 PolarHBondContact O-N 3.37Å; C415-I418 VanDerWaalsContact O-N 3.15Å; Y416-I418 VanDerWaalsContact C-N 3.3Å; Y416-I418 PolarHBondContact O-N 3.24Å; I418-T420 VanDerWaalsContact C-N 3.27Å; I418-T420 PolarHBondContact O-N 3.3Å; I418-E421 PolarHBondContact O-N 3.4Å; I418-A424 HydrophobicContact CG2-CB 4.46Å; I418-A424 WeakPolarHBondContact O-CB 3.49Å; I418-K428 HydrophobicContact CG2-CB 3.97Å; I418-K428 WeakPolarHBondContact CG2-O 3.27Å; I418-A432 HydrophobicContact CB-CB 4.21Å; I418-A432 HydrophobicContact CD1-CB 4.49Å; I418-A432 HydrophobicContact CG2-CB 4.03Å |
| 419 | L | 94.7 | Very high | 94.4 | Very high | 16 Ų | 16 | 67.9 Ų | 67.9 | 8% | 0.084 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.9 | -29.4 | -177.7 | -67.5 | 178.8 | 0 | 0 | 0 | 113.3 | C415 Y416 K429 A432 L433 I436 H460 | C415-L419 WeakPolarHBondContact O-CG 3.43Å; C415-L419 PolarHBondContact O-N 2.79Å; Y416-L419 PolarHBondContact O-N 3.48Å; L419-K429 HydrophobicContact CD2-CB 4.43Å; L419-A432 HydrophobicContact CD2-CB 4.1Å; L419-A432 HydrophobicContact CG-CB 4.22Å; L419-L433 HydrophobicContact CD1-CD2 4.16Å; L419-L433 HydrophobicContact CD2-CD2 4.1Å; L419-L433 HydrophobicContact CD2-CG 3.99Å; L419-I436 HydrophobicContact CD1-CD1 3.6Å; L419-H460 HydrophobicContact CD1-CB 4.32Å |
| 420 | T | 93.6 | Very high | 94.5 | Very high | 61 Ų | 61 | 61.5 Ų | 61.5 | 37% | 0.374 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -92.1 | -8 | 179.6 | 55.8 | 0 | 0 | 0 | 0 | 114.1 | Y416 Q417 I418 P422 | Y416-T420 HydrophobicContact CD1-CG2 4.28Å; Y416-T420 HydrophobicContact CD2-CG2 4.12Å; Y416-T420 HydrophobicContact CE1-CG2 3.85Å; Y416-T420 HydrophobicContact CE2-CG2 3.67Å; Y416-T420 HydrophobicContact CG-CG2 4.41Å; Y416-T420 WeakPolarHBondContact O-CB 3.32Å; Y416-T420 WeakPolarHBondContact O-CG2 3.38Å; Y416-T420 PolarHBondContact O-N 3.02Å; Y416-T420 PolarHBondContact O-OG1 3.47Å; Q417-T420 PolarHBondContact O-OG1 3.24Å; I418-T420 VanDerWaalsContact C-N 3.27Å; I418-T420 PolarHBondContact O-N 3.3Å; T420-P422 WeakPolarHBondContact O-CD 3.41Å |
| 421 | E | 93.6 | Very high | 94.6 | Very high | 96 Ų | 96 | 56.8 Ų | 56.8 | 45% | 0.449 | 29% | 0.294 | S | S | . | . | trans | -69.6 | 120.5 | 177.3 | -178.3 | 170.5 | -162.3 | 0 | 0 | 110.6 | Q417 I418 N423 A424 | Q417-E421 PolarHBondContact O-N 3.38Å; I418-E421 PolarHBondContact O-N 3.4Å; E421-N423 VanDerWaalsContact C-N 3.26Å; E421-N423 PolarHBondContact O-N 2.9Å; E421-N423 VanDerWaalsContact O-N 3.16Å; E421-A424 HydrophobicContact CB-CB 3.83Å; E421-A424 HydrophobicContact CG-CB 4.12Å; E421-A424 PolarHBondContact O-N 3.15Å | ||
| 422 | P | 85.2 | Confident | 94.6 | Very high | 115 Ų | 115 | 56.8 Ų | 56.8 | 75% | 0.747 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -32.6 | -172.2 | -27.2 | 34.7 | 0 | 0 | 0 | 114.7 | T420 | T420-P422 WeakPolarHBondContact O-CD 3.41Š|
| 423 | N | 88.8 | Confident | 94.7 | Very high | 154 Ų | 154 | 55.7 Ų | 55.7 | 82% | 0.824 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.3 | 25.9 | -177.2 | -60.5 | -35.8 | 0 | 0 | 0 | 112 | E421 D425 | E421-N423 VanDerWaalsContact C-N 3.26Å; E421-N423 PolarHBondContact O-N 2.9Å; E421-N423 VanDerWaalsContact O-N 3.16Å; N423-D425 PolarHBondContact O-N 3.48Å |
| 424 | A | 90 | Very high | 94.7 | Very high | 11 Ų | 11 | 54.4 Ų | 54.4 | 9% | 0.091 | 27% | 0.273 | C | S | . | . | trans | -60.8 | 134.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | I418 E421 K429 | I418-A424 HydrophobicContact CG2-CB 4.46Å; I418-A424 WeakPolarHBondContact O-CB 3.49Å; E421-A424 HydrophobicContact CB-CB 3.83Å; E421-A424 HydrophobicContact CG-CB 4.12Å; E421-A424 PolarHBondContact O-N 3.15Å; A424-K429 HydrophobicContact CB-CD 4.46Å; A424-K429 HydrophobicContact CB-CG 4.08Å | ||
| 425 | D | 93.6 | Very high | 94.8 | Very high | 77 Ų | 77 | 52.9 Ų | 52.9 | 41% | 0.412 | 27% | 0.266 | S | S | . | . | trans | -50.5 | 126.2 | 171.1 | -177.3 | -15.3 | 0 | 0 | 0 | 109.9 | N423 R427 K428 K429 | N423-D425 PolarHBondContact O-N 3.48Å; D425-R427 PolarHBondContact O-N 3.49Å; D425-R427 PolarHBondContact OD1-N 3.01Å; D425-K428 HydrophobicContact CB-CB 4.29Å; D425-K428 HydrophobicContact CB-CD 4.11Å; D425-K428 HydrophobicContact CB-CG 4.01Å; D425-K428 WeakPolarHBondContact O-CA 3.35Å; D425-K428 WeakPolarHBondContact O-CB 3.48Å; D425-K428 PolarHBondContact O-N 3.42Å; D425-K429 PolarHBondContact O-N 2.89Å; D425-K429 VanDerWaalsContact O-N 3.14Å | ||
| 426 | P | 95 | Very high | 94.8 | Very high | 53 Ų | 53 | 53 Ų | 53 | 34% | 0.344 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -51 | -37.5 | 178 | -28.9 | 36.5 | 0 | 0 | 0 | 113.6 | K428 K429 D430 L469 Y471 M472 | P426-K428 VanDerWaalsContact C-N 3.27Å; P426-K428 PolarHBondContact O-N 3.06Å; P426-K429 WeakPolarHBondContact O-CB 3.42Å; P426-K429 PolarHBondContact O-N 2.74Å; P426-D430 PolarHBondContact O-N 2.72Å; P426-L469 HydrophobicContact CB-CD1 3.61Å; P426-L469 HydrophobicContact CG-CD1 3.85Å; P426-Y471 WeakPolarHBondContact CB-OH 3.45Å; P426-M472 HydrophobicContact CB-CG 4.47Å; P426-M472 HydrophobicContact CB-SD 4.25Å |
| 427 | R | 95.5 | Very high | 94.8 | Very high | 63 Ų | 63 | 46.1 Ų | 46.1 | 24% | 0.238 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.8 | -34.1 | 177.1 | -66.3 | -178.1 | 171.8 | -177.2 | -0.2 | 112.7 | Y360 D362 D425 G431 | Y360-R427 HydrophobicContact CD1-CG 4.49Å; Y360-R427 WeakPolarHBondContact O-CD 3.46Å; D362-R427 IonicContact OD1-CZ 3.57Å; D362-R427 IonicContact OD1-NH1 3.33Å; D362-R427 PolarHBondContact OD1-NH1 3.25Å; D362-R427 IonicContact OD1-NH2 3.96Å; D362-R427 PolarHBondContact OD1-NH2 3.46Å; D362-R427 IonicContact OD2-NH1 3.48Å; D425-R427 PolarHBondContact O-N 3.49Å; D425-R427 PolarHBondContact OD1-N 3.01Å; R427-G431 PolarHBondContact O-N 3.36Å |
| 428 | K | 96.4 | Very high | 94.8 | Very high | 101 Ų | 101 | 40.7 Ų | 40.7 | 44% | 0.439 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -72.2 | -35.2 | 174.4 | -68.1 | -175.6 | -177.7 | -178.4 | 0 | 112.1 | F355 I418 D425 P426 G431 A432 | F355-K428 HydrophobicContact CE1-CB 4.49Å; F355-K428 HydrophobicContact CE1-CG 4.23Å; F355-K428 HydrophobicContact CZ-CB 3.87Å; F355-K428 HydrophobicContact CZ-CG 4.09Å; F355-K428 WeakPolarHBondContact CZ-O 3.24Å; I418-K428 HydrophobicContact CG2-CB 3.97Å; I418-K428 WeakPolarHBondContact CG2-O 3.27Å; D425-K428 HydrophobicContact CB-CB 4.29Å; D425-K428 HydrophobicContact CB-CD 4.11Å; D425-K428 HydrophobicContact CB-CG 4.01Å; D425-K428 WeakPolarHBondContact O-CA 3.35Å; D425-K428 WeakPolarHBondContact O-CB 3.48Å; D425-K428 PolarHBondContact O-N 3.42Å; P426-K428 VanDerWaalsContact C-N 3.27Å; P426-K428 PolarHBondContact O-N 3.06Å; K428-G431 PolarHBondContact O-N 3Å; K428-A432 WeakPolarHBondContact O-CB 3.43Å; K428-A432 PolarHBondContact O-N 3.41Å |
| 429 | K | 96.3 | Very high | 94.9 | Very high | 56 Ų | 56 | 40 Ų | 40 | 24% | 0.243 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.5 | -42.1 | 174.4 | -67 | -172.7 | 179.8 | -175.9 | 0 | 110.9 | L419 A424 D425 P426 A432 L433 M472 | L419-K429 HydrophobicContact CD2-CB 4.43Å; A424-K429 HydrophobicContact CB-CD 4.46Å; A424-K429 HydrophobicContact CB-CG 4.08Å; D425-K429 PolarHBondContact O-N 2.89Å; D425-K429 VanDerWaalsContact O-N 3.14Å; P426-K429 WeakPolarHBondContact O-CB 3.42Å; P426-K429 PolarHBondContact O-N 2.74Å; K429-A432 PolarHBondContact O-N 2.93Å; K429-L433 WeakPolarHBondContact O-CG 3.39Å; K429-L433 PolarHBondContact O-N 3.42Å; K429-M472 HydrophobicContact CB-CE 3.97Å |
| 430 | D | 96.5 | Very high | 94.9 | Very high | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -54.1 | -55.7 | 170.5 | 167 | 70.3 | 0 | 0 | 0 | 110.9 | Y360 P426 A432 L433 H434 Y471 M472 R475 | Y360-D430 WeakPolarHBondContact CB-OD2 3.42Å; Y360-D430 PolarHBondContact N-OD2 3.12Å; P426-D430 PolarHBondContact O-N 2.72Å; D430-A432 VanDerWaalsContact C-N 3.26Å; D430-A432 PolarHBondContact O-N 2.79Å; D430-L433 PolarHBondContact O-N 2.99Å; D430-L433 VanDerWaalsContact O-N 3.08Å; D430-H434 WeakPolarHBondContact O-CB 3.34Å; D430-H434 PolarHBondContact O-N 3.31Å; D430-Y471 HydrophobicContact CB-CD2 4.33Å; D430-Y471 HydrophobicContact CB-CE2 4.18Å; D430-M472 HydrophobicContact CB-SD 3.77Å; D430-R475 WeakPolarHBondContact OD1-CB 3.47Å; D430-R475 VanDerWaalsContact OD1-CG 3.29Å; D430-R475 WeakPolarHBondContact OD1-CG 3.39Å; D430-R475 IonicContact OD1-CZ 3.79Å; D430-R475 IonicContact OD1-NE 3.28Å; D430-R475 PolarHBondContact OD1-NE 3.49Å; D430-R475 IonicContact OD1-NH2 2.63Å |
| 431 | G | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.6 | -34.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114 | M358 R427 K428 H434 M435 | M358-G431 WeakPolarHBondContact O-CA 3.32Å; R427-G431 PolarHBondContact O-N 3.36Å; K428-G431 PolarHBondContact O-N 3Å; G431-H434 WeakPolarHBondContact O-CB 3.22Å; G431-H434 PolarHBondContact O-N 2.88Å; G431-M435 WeakPolarHBondContact O-CG 3.28Å; G431-M435 PolarHBondContact O-N 3.21Å |
| 432 | A | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.2 | -38.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F355 C415 I418 L419 K428 K429 D430 I436 | F355-A432 HydrophobicContact CE2-CB 4.28Å; C415-A432 HydrophobicContact CB-CB 4.3Å; I418-A432 HydrophobicContact CB-CB 4.21Å; I418-A432 HydrophobicContact CD1-CB 4.49Å; I418-A432 HydrophobicContact CG2-CB 4.03Å; L419-A432 HydrophobicContact CD2-CB 4.1Å; L419-A432 HydrophobicContact CG-CB 4.22Å; K428-A432 WeakPolarHBondContact O-CB 3.43Å; K428-A432 PolarHBondContact O-N 3.41Å; K429-A432 PolarHBondContact O-N 2.93Å; D430-A432 VanDerWaalsContact C-N 3.26Å; D430-A432 PolarHBondContact O-N 2.79Å; A432-I436 WeakPolarHBondContact O-CD1 3.45Å; A432-I436 VanDerWaalsContact O-CG1 3.23Å; A432-I436 WeakPolarHBondContact O-CG1 3.49Å; A432-I436 PolarHBondContact O-N 3.12Å; A432-I436 VanDerWaalsContact O-N 3.13Å |
| 433 | L | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -71 | -36.9 | 174.8 | -74.7 | 178.5 | 0 | 0 | 0 | 112.4 | L419 K429 D430 I436 G437 V461 L464 R475 V479 | L419-L433 HydrophobicContact CD1-CD2 4.16Å; L419-L433 HydrophobicContact CD2-CD2 4.1Å; L419-L433 HydrophobicContact CD2-CG 3.99Å; K429-L433 WeakPolarHBondContact O-CG 3.39Å; K429-L433 PolarHBondContact O-N 3.42Å; D430-L433 PolarHBondContact O-N 2.99Å; D430-L433 VanDerWaalsContact O-N 3.08Å; L433-I436 PolarHBondContact O-N 2.77Å; L433-G437 PolarHBondContact O-N 2.98Å; L433-V461 HydrophobicContact CD2-CG2 4Å; L433-L464 HydrophobicContact CD1-CD1 3.21Å; L433-R475 HydrophobicContact CB-CG 3.87Å; L433-R475 HydrophobicContact CD1-CG 4.31Å; L433-V479 HydrophobicContact CB-CG2 3.95Å |
| 434 | H | 97.1 | Very high | 95.6 | Very high | 14 Ų | 14 | 24.8 Ų | 24.8 | 7% | 0.065 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58 | -49.8 | 173 | -167 | 177.3 | 0 | 0 | 0 | 110.4 | M358 Q394 D430 G431 I436 G437 S438 R475 W478 | M358-H434 HydrophobicContact CB-CB 4.37Å; M358-H434 VanDerWaalsContact CE-C 3.48Å; M358-H434 HydrophobicContact CE-CB 4.03Å; M358-H434 VanDerWaalsContact CE-CD2 3.41Å; M358-H434 WeakPolarHBondContact CE-CD2 3.31Å; M358-H434 PolarHBondContact O-ND1 2.95Å; Q394-H434 PolarHBondContact NE2-NE2 3.27Å; D430-H434 WeakPolarHBondContact O-CB 3.34Å; D430-H434 PolarHBondContact O-N 3.31Å; G431-H434 WeakPolarHBondContact O-CB 3.22Å; G431-H434 PolarHBondContact O-N 2.88Å; H434-I436 VanDerWaalsContact C-N 3.32Å; H434-I436 PolarHBondContact O-N 3.3Å; H434-G437 PolarHBondContact O-N 2.97Å; H434-S438 PolarHBondContact O-N 3.13Å; H434-S438 PolarHBondContact O-OG 3.43Å; H434-S438 VanDerWaalsContact O-OG 3.08Å; H434-R475 PolarHBondContact CD2-NH1 3.19Å; H434-R475 PolarHBondContact ND1-NH2 3.13Å; H434-W478 AromaticContact CD2-CH2 3.6Å; H434-W478 AromaticContact CD2-CZ3 3.95Å |
| 435 | M | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.4 | -41.3 | 174.9 | -72.8 | -178 | 76.2 | 0 | 0 | 112.9 | I350 F355 M358 L397 T411 F414 G431 L439 | I350-M435 HydrophobicContact CG2-CE 3.56Å; F355-M435 HydrophobicContact CB-SD 3.88Å; F355-M435 HydrophobicContact CD2-SD 3.57Å; F355-M435 VanDerWaalsContact CD2-SD 3.57Å; F355-M435 HydrophobicContact CG-SD 4.2Å; M358-M435 HydrophobicContact CB-CG 4.5Å; M358-M435 HydrophobicContact CE-CB 4.38Å; M358-M435 HydrophobicContact CE-CG 3.98Å; M358-M435 HydrophobicContact SD-CB 4.49Å; M358-M435 HydrophobicContact SD-CG 3.56Å; M358-M435 VanDerWaalsContact SD-CG 3.56Å; L397-M435 HydrophobicContact CD1-CE 3.56Å; L397-M435 HydrophobicContact CD2-CB 3.88Å; L397-M435 HydrophobicContact CD2-CE 3.64Å; L397-M435 HydrophobicContact CD2-CG 3.79Å; L397-M435 HydrophobicContact CG-CE 4.26Å; T411-M435 HydrophobicContact CG2-CE 3.6Å; F414-M435 HydrophobicContact CE1-SD 4.46Å; G431-M435 WeakPolarHBondContact O-CG 3.28Å; G431-M435 PolarHBondContact O-N 3.21Å; M435-L439 WeakPolarHBondContact O-CD1 3.42Å; M435-L439 VanDerWaalsContact O-CG 3.25Å; M435-L439 WeakPolarHBondContact O-CG 3.26Å; M435-L439 PolarHBondContact O-N 3.03Å |
| 436 | I | 97.2 | Very high | 95.4 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.8 | -44.1 | -179.5 | -69.7 | 165.9 | 0 | 0 | 0 | 110.9 | M412 C415 L419 A432 L433 H434 L439 A440 L443 M456 F483 | M412-I436 HydrophobicContact CE-CD1 4.37Å; M412-I436 HydrophobicContact CE-CG1 4.02Å; M412-I436 HydrophobicContact SD-CG1 4.17Å; C415-I436 HydrophobicContact CB-CD1 3.89Å; C415-I436 HydrophobicContact CB-CG1 4.02Å; L419-I436 HydrophobicContact CD1-CD1 3.6Å; A432-I436 WeakPolarHBondContact O-CD1 3.45Å; A432-I436 VanDerWaalsContact O-CG1 3.23Å; A432-I436 WeakPolarHBondContact O-CG1 3.49Å; A432-I436 PolarHBondContact O-N 3.12Å; A432-I436 VanDerWaalsContact O-N 3.13Å; L433-I436 PolarHBondContact O-N 2.77Å; H434-I436 VanDerWaalsContact C-N 3.32Å; H434-I436 PolarHBondContact O-N 3.3Å; I436-L439 CarbonylContact O-C 3.59Å; I436-L439 PolarHBondContact O-N 3.14Å; I436-L439 VanDerWaalsContact O-N 3.14Å; I436-A440 PolarHBondContact O-N 2.83Å; I436-L443 HydrophobicContact CG2-CD1 4.04Å; I436-M456 HydrophobicContact CG2-CE 3.75Å; I436-M456 HydrophobicContact CG2-SD 4.5Å; I436-F483 HydrophobicContact CG2-CE2 3.83Å; I436-F483 HydrophobicContact CG2-CZ 3.83Å |
| 437 | G | 96.2 | Very high | 95 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.6 | -37.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L433 H434 L439 A440 | L433-G437 PolarHBondContact O-N 2.98Å; H434-G437 PolarHBondContact O-N 2.97Å; G437-L439 PolarHBondContact O-N 3.5Å; G437-A440 WeakPolarHBondContact O-CB 3.24Å; G437-A440 PolarHBondContact O-N 3.4Å |
| 438 | S | 95.9 | Very high | 94.6 | Very high | 19 Ų | 19 | 36.6 Ų | 36.6 | 13% | 0.133 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -11.5 | 171.9 | -59.4 | 0 | 0 | 0 | 0 | 113.7 | M358 F398 H434 | M358-S438 WeakPolarHBondContact CE-OG 3.36Å; F398-S438 WeakPolarHBondContact CD2-O 3.44Å; H434-S438 PolarHBondContact O-N 3.13Å; H434-S438 PolarHBondContact O-OG 3.43Å; H434-S438 VanDerWaalsContact O-OG 3.08Å |
| 439 | L | 96.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109 | 9 | 176.1 | -65.8 | 173.9 | 0 | 0 | 0 | 112.4 | L397 C401 L408 T411 M435 I436 G437 E441 I442 L443 | L397-L439 HydrophobicContact CD2-CD1 4.24Å; L397-L439 HydrophobicContact CD2-CG 4.3Å; L397-L439 HydrophobicContact CG-CD1 4.3Å; L397-L439 HydrophobicContact CG-CD2 4.22Å; L397-L439 HydrophobicContact CG-CG 4.4Å; C401-L439 HydrophobicContact CB-CD1 4.49Å; C401-L439 HydrophobicContact CB-CD2 3.73Å; L408-L439 HydrophobicContact CD1-CD1 4.24Å; T411-L439 HydrophobicContact CG2-CD1 4.1Å; M435-L439 WeakPolarHBondContact O-CD1 3.42Å; M435-L439 VanDerWaalsContact O-CG 3.25Å; M435-L439 WeakPolarHBondContact O-CG 3.26Å; M435-L439 PolarHBondContact O-N 3.03Å; I436-L439 CarbonylContact O-C 3.59Å; I436-L439 PolarHBondContact O-N 3.14Å; I436-L439 VanDerWaalsContact O-N 3.14Å; G437-L439 PolarHBondContact O-N 3.5Å; L439-E441 PolarHBondContact O-N 3.09Å; L439-I442 HydrophobicContact CD2-CD1 3.77Å; L439-I442 PolarHBondContact O-N 2.74Å; L439-L443 HydrophobicContact CB-CD1 4.02Å; L439-L443 HydrophobicContact CB-CG 4.22Å; L439-L443 VanDerWaalsContact O-CG 3.24Å; L439-L443 WeakPolarHBondContact O-CG 3.26Å; L439-L443 PolarHBondContact O-N 3.09Å |
| 440 | A | 95.5 | Very high | 94.1 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 2% | 0.017 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55.8 | -46.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I436 G437 I442 L443 L444 Y482 F483 | I436-A440 PolarHBondContact O-N 2.83Å; G437-A440 WeakPolarHBondContact O-CB 3.24Å; G437-A440 PolarHBondContact O-N 3.4Å; A440-I442 PolarHBondContact O-N 2.88Å; A440-L443 PolarHBondContact O-N 3.42Å; A440-L443 VanDerWaalsContact O-N 3.11Å; A440-L444 WeakPolarHBondContact O-CB 3.31Å; A440-L444 VanDerWaalsContact O-CG 3.26Å; A440-L444 WeakPolarHBondContact O-CG 3.24Å; A440-L444 PolarHBondContact O-N 3.03Å; A440-Y482 WeakPolarHBondContact CB-O 3.39Å; A440-F483 HydrophobicContact CB-CD1 4.09Å; A440-F483 HydrophobicContact CB-CD2 4.15Å; A440-F483 HydrophobicContact CB-CE1 3.82Å; A440-F483 HydrophobicContact CB-CE2 3.89Å; A440-F483 HydrophobicContact CB-CG 4.26Å; A440-F483 HydrophobicContact CB-CZ 3.73Å |
| 441 | E | 93.8 | Very high | 93.7 | Very high | 101 Ų | 101 | 39.3 Ų | 39.3 | 47% | 0.472 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -54.9 | -49.3 | 178.1 | -166.1 | -158.5 | 139.2 | 0 | 0 | 112.1 | F398 L439 L443 L444 K445 | F398-E441 HydrophobicContact CE2-CB 4.24Å; F398-E441 WeakPolarHBondContact CZ-OE2 3.4Å; L439-E441 PolarHBondContact O-N 3.09Å; E441-L443 VanDerWaalsContact C-N 3.33Å; E441-L443 PolarHBondContact O-N 3.39Å; E441-L444 PolarHBondContact O-N 3.3Å; E441-K445 WeakPolarHBondContact O-CG 3.13Å; E441-K445 PolarHBondContact O-N 3.13Å; E441-K445 VanDerWaalsContact O-N 3.13Å; E441-K445 IonicContact OE1-NZ 2.84Å; E441-K445 PolarHBondContact OE1-NZ 3.21Å |
| 442 | I | 93.1 | Very high | 93.4 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.9 | -40.6 | 178.7 | -59.6 | 163.2 | 0 | 0 | 0 | 110.7 | F398 C401 L408 L439 A440 K446 | F398-I442 HydrophobicContact CD1-CD1 4.3Å; F398-I442 HydrophobicContact CD2-CD1 3.58Å; F398-I442 HydrophobicContact CD2-CG1 4.19Å; F398-I442 HydrophobicContact CE1-CD1 4.32Å; F398-I442 HydrophobicContact CE2-CD1 3.62Å; F398-I442 HydrophobicContact CE2-CG1 3.7Å; F398-I442 HydrophobicContact CG-CD1 3.95Å; F398-I442 HydrophobicContact CZ-CD1 4Å; F398-I442 HydrophobicContact CZ-CG1 3.93Å; C401-I442 HydrophobicContact CB-CD1 4.36Å; L408-I442 HydrophobicContact CD2-CG2 3.89Å; L439-I442 HydrophobicContact CD2-CD1 3.77Å; L439-I442 PolarHBondContact O-N 2.74Å; A440-I442 PolarHBondContact O-N 2.88Å; I442-K446 HydrophobicContact CG2-CD 4.26Å; I442-K446 PolarHBondContact O-N 2.82Å; I442-K446 VanDerWaalsContact O-N 3.15Å |
| 443 | L | 95.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.5 | -31.5 | -178.3 | -67.1 | 171.9 | 0 | 0 | 0 | 112.3 | L408 M412 I436 L439 A440 E441 Y449 K450 M453 F483 | L408-L443 HydrophobicContact CD1-CD2 4.05Å; M412-L443 HydrophobicContact CE-CD1 4.19Å; M412-L443 HydrophobicContact CE-CD2 4.24Å; M412-L443 HydrophobicContact CG-CD2 4.17Å; M412-L443 HydrophobicContact SD-CD1 4.09Å; M412-L443 HydrophobicContact SD-CD2 3.99Å; I436-L443 HydrophobicContact CG2-CD1 4.04Å; L439-L443 HydrophobicContact CB-CD1 4.02Å; L439-L443 HydrophobicContact CB-CG 4.22Å; L439-L443 VanDerWaalsContact O-CG 3.24Å; L439-L443 WeakPolarHBondContact O-CG 3.26Å; L439-L443 PolarHBondContact O-N 3.09Å; A440-L443 PolarHBondContact O-N 3.42Å; A440-L443 VanDerWaalsContact O-N 3.11Å; E441-L443 VanDerWaalsContact C-N 3.33Å; E441-L443 PolarHBondContact O-N 3.39Å; L443-Y449 HydrophobicContact CD2-CD1 3.82Å; L443-Y449 HydrophobicContact CD2-CD2 3.87Å; L443-Y449 HydrophobicContact CD2-CE1 4.4Å; L443-Y449 HydrophobicContact CD2-CE2 4.46Å; L443-Y449 HydrophobicContact CD2-CG 3.52Å; L443-K450 PolarHBondContact O-N 3.06Å; L443-K450 VanDerWaalsContact O-N 3.13Å; L443-M453 HydrophobicContact CB-SD 4.15Å; L443-M453 HydrophobicContact CD1-SD 4.29Å; L443-F483 HydrophobicContact CB-CE1 4.34Å; L443-F483 HydrophobicContact CD1-CE1 4.46Å; L443-F483 HydrophobicContact CD1-CZ 3.92Å |
| 444 | L | 93.1 | Very high | 93.1 | Very high | 15 Ų | 15 | 45.9 Ų | 45.9 | 8% | 0.079 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -79.6 | -25 | 177.9 | -70.3 | 170.7 | 0 | 0 | 0 | 113.3 | A440 E441 K450 M453 F483 E485 V486 | A440-L444 WeakPolarHBondContact O-CB 3.31Å; A440-L444 VanDerWaalsContact O-CG 3.26Å; A440-L444 WeakPolarHBondContact O-CG 3.24Å; A440-L444 PolarHBondContact O-N 3.03Å; E441-L444 PolarHBondContact O-N 3.3Å; L444-K450 WeakPolarHBondContact O-CD 3.35Å; L444-K450 VanDerWaalsContact O-CE 3.31Å; L444-K450 WeakPolarHBondContact O-CE 3.26Å; L444-K450 WeakPolarHBondContact O-CG 3.26Å; L444-K450 PolarHBondContact O-NZ 3.4Å; L444-M453 HydrophobicContact CD2-CG 4.49Å; L444-F483 HydrophobicContact CD1-CD1 4.23Å; L444-F483 HydrophobicContact CD2-CD1 4.17Å; L444-F483 HydrophobicContact CG-CD1 4.19Å; L444-F483 HydrophobicContact CG-CE1 4.35Å; L444-E485 HydrophobicContact CD1-CB 4.18Å; L444-V486 HydrophobicContact CD2-CG2 3.62Å |
| 445 | K | 90.5 | Very high | 92.9 | Very high | 120 Ų | 120 | 52.3 Ų | 52.3 | 52% | 0.522 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -75 | -41.7 | 169.8 | -70.4 | 174.5 | 176.3 | 175.5 | 0 | 111.9 | E441 K447 | E441-K445 WeakPolarHBondContact O-CG 3.13Å; E441-K445 PolarHBondContact O-N 3.13Å; E441-K445 VanDerWaalsContact O-N 3.13Å; E441-K445 IonicContact OE1-NZ 2.84Å; E441-K445 PolarHBondContact OE1-NZ 3.21Å; K445-K447 PolarHBondContact O-N 2.94Å |
| 446 | K | 89.1 | Confident | 92.8 | Very high | 41 Ų | 41 | 53.2 Ų | 53.2 | 18% | 0.178 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -83.4 | 111.2 | -175.4 | -70.4 | -177 | -178.5 | 174.8 | 0 | 113.8 | L408 I442 I448 Y449 K450 E900 | L408-K446 HydrophobicContact CD2-CD 3.63Å; I442-K446 HydrophobicContact CG2-CD 4.26Å; I442-K446 PolarHBondContact O-N 2.82Å; I442-K446 VanDerWaalsContact O-N 3.15Å; K446-I448 VanDerWaalsContact C-N 3.29Å; K446-I448 PolarHBondContact O-N 3.4Å; K446-Y449 HydrophobicContact CB-CD2 3.98Å; K446-Y449 PolarHBondContact O-N 3.25Å; K446-K450 PolarHBondContact O-N 3.15Å; K446-E900 IonicContact NZ-OE1 2.85Å; K446-E900 PolarHBondContact NZ-OE1 3.14Å |
| 447 | K | 86.9 | Confident | 92.7 | Very high | 162 Ų | 162 | 53.1 Ų | 53.1 | 70% | 0.704 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -45.4 | -41.5 | -177.8 | -170.2 | 172.3 | -175 | 167.6 | 0 | 115.9 | K445 Y449 D451 | K445-K447 PolarHBondContact O-N 2.94Å; K447-Y449 PolarHBondContact O-N 3.13Å; K447-D451 PolarHBondContact O-N 3.05Å |
| 448 | I | 87.7 | Confident | 92.8 | Very high | 128 Ų | 128 | 56.8 Ų | 56.8 | 66% | 0.656 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -60 | -35.1 | -178.8 | -62 | 174.4 | 0 | 0 | 0 | 111.7 | K446 Q452 | K446-I448 VanDerWaalsContact C-N 3.29Å; K446-I448 PolarHBondContact O-N 3.4Å; I448-Q452 PolarHBondContact O-NE2 3.06Å |
| 449 | Y | 91.7 | Very high | 92.7 | Very high | 40 Ų | 40 | 58.9 Ų | 58.9 | 16% | 0.157 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -92.7 | -47.4 | -180 | -62.3 | -71.8 | 0 | 0 | 0 | 111.1 | L408 Q409 M412 L443 K446 K447 D451 Q452 M453 | L408-Y449 HydrophobicContact CD2-CD2 4.17Å; L408-Y449 HydrophobicContact CD2-CE2 3.62Å; L408-Y449 HydrophobicContact CG-CE2 4.02Å; Q409-Y449 WeakPolarHBondContact CA-OH 3.42Å; M412-Y449 HydrophobicContact CB-CE1 4.02Å; M412-Y449 HydrophobicContact CG-CD1 4.46Å; M412-Y449 HydrophobicContact CG-CE1 3.82Å; L443-Y449 HydrophobicContact CD2-CD1 3.82Å; L443-Y449 HydrophobicContact CD2-CD2 3.87Å; L443-Y449 HydrophobicContact CD2-CE1 4.4Å; L443-Y449 HydrophobicContact CD2-CE2 4.46Å; L443-Y449 HydrophobicContact CD2-CG 3.52Å; K446-Y449 HydrophobicContact CB-CD2 3.98Å; K446-Y449 PolarHBondContact O-N 3.25Å; K447-Y449 PolarHBondContact O-N 3.13Å; Y449-D451 VanDerWaalsContact C-N 3.27Å; Y449-D451 PolarHBondContact O-N 3.06Å; Y449-D451 VanDerWaalsContact O-N 3.14Å; Y449-Q452 CarbonylContact O-C 3.52Å; Y449-Q452 WeakPolarHBondContact O-CA 3.2Å; Y449-Q452 PolarHBondContact O-N 3.01Å; Y449-M453 VanDerWaalsContact O-CE 3.24Å; Y449-M453 WeakPolarHBondContact O-CE 3.42Å; Y449-M453 WeakPolarHBondContact O-CG 3.46Å; Y449-M453 PolarHBondContact O-N 3.41Å; Y449-M453 VanDerWaalsContact O-N 3.13Å |
| 450 | K | 89.9 | Confident | 92.6 | Very high | 92 Ų | 92 | 60.8 Ų | 60.8 | 40% | 0.4 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -43.4 | -50.3 | 179.3 | -170.7 | -176.8 | -162.2 | 146.5 | 0 | 112.8 | L443 L444 K446 Q452 M453 | L443-K450 PolarHBondContact O-N 3.06Å; L443-K450 VanDerWaalsContact O-N 3.13Å; L444-K450 WeakPolarHBondContact O-CD 3.35Å; L444-K450 VanDerWaalsContact O-CE 3.31Å; L444-K450 WeakPolarHBondContact O-CE 3.26Å; L444-K450 WeakPolarHBondContact O-CG 3.26Å; L444-K450 PolarHBondContact O-NZ 3.4Å; K446-K450 PolarHBondContact O-N 3.15Å; K450-Q452 PolarHBondContact O-N 3.28Å; K450-M453 PolarHBondContact O-N 2.93Å |
| 451 | D | 88.5 | Confident | 92.7 | Very high | 86 Ų | 86 | 60.7 Ų | 60.7 | 46% | 0.46 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.9 | -18.3 | -178.6 | -86.8 | -41.4 | 0 | 0 | 0 | 114.6 | K447 Y449 K489 | K447-D451 PolarHBondContact O-N 3.05Å; Y449-D451 VanDerWaalsContact C-N 3.27Å; Y449-D451 PolarHBondContact O-N 3.06Å; Y449-D451 VanDerWaalsContact O-N 3.14Å; D451-K489 IonicContact OD1-NZ 3.93Å; D451-K489 PolarHBondContact OD1-NZ 3.37Å |
| 452 | Q | 91.1 | Very high | 92.9 | Very high | 111 Ų | 111 | 56.6 Ų | 56.6 | 52% | 0.519 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -102.7 | -9.6 | -179 | -60.2 | -175.2 | 43.8 | 0 | 0 | 113.2 | I448 Y449 K450 E454 Y455 M456 | I448-Q452 PolarHBondContact O-NE2 3.06Å; Y449-Q452 CarbonylContact O-C 3.52Å; Y449-Q452 WeakPolarHBondContact O-CA 3.2Å; Y449-Q452 PolarHBondContact O-N 3.01Å; K450-Q452 PolarHBondContact O-N 3.28Å; Q452-E454 PolarHBondContact O-N 2.96Å; Q452-Y455 WeakPolarHBondContact O-CB 3.36Å; Q452-Y455 PolarHBondContact O-N 2.88Å; Q452-Y455 VanDerWaalsContact O-N 3.13Å; Q452-M456 PolarHBondContact O-N 3.02Å |
| 453 | M | 93.1 | Very high | 93.1 | Very high | 6 Ų | 6 | 60.1 Ų | 60.1 | 3% | 0.03 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.5 | -42.6 | -174.6 | -69 | -55.9 | 92.7 | 0 | 0 | 112.2 | L443 L444 Y449 K450 Y455 M456 L457 F483 V486 | L443-M453 HydrophobicContact CB-SD 4.15Å; L443-M453 HydrophobicContact CD1-SD 4.29Å; L444-M453 HydrophobicContact CD2-CG 4.49Å; Y449-M453 VanDerWaalsContact O-CE 3.24Å; Y449-M453 WeakPolarHBondContact O-CE 3.42Å; Y449-M453 WeakPolarHBondContact O-CG 3.46Å; Y449-M453 PolarHBondContact O-N 3.41Å; Y449-M453 VanDerWaalsContact O-N 3.13Å; K450-M453 PolarHBondContact O-N 2.93Å; M453-Y455 VanDerWaalsContact C-N 3.27Å; M453-Y455 PolarHBondContact O-N 2.88Å; M453-M456 HydrophobicContact CE-CB 4.49Å; M453-M456 WeakPolarHBondContact O-CB 3.34Å; M453-M456 PolarHBondContact O-N 3.36Å; M453-M456 HydrophobicContact SD-CE 4.15Å; M453-L457 WeakPolarHBondContact O-CG 3.21Å; M453-L457 PolarHBondContact O-N 2.93Å; M453-F483 HydrophobicContact CB-CD1 4.47Å; M453-F483 HydrophobicContact CB-CE1 4.47Å; M453-F483 HydrophobicContact CG-CD1 4.33Å; M453-F483 HydrophobicContact CG-CE1 3.9Å; M453-F483 HydrophobicContact SD-CD1 4.41Å; M453-F483 HydrophobicContact SD-CE1 3.54Å; M453-F483 VanDerWaalsContact SD-CE1 3.54Å; M453-F483 HydrophobicContact SD-CZ 3.92Å; M453-V486 HydrophobicContact CB-CG2 3.94Å |
| 454 | E | 94.8 | Very high | 93.1 | Very high | 21 Ų | 21 | 61.5 Ų | 61.5 | 10% | 0.098 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.5 | -41.8 | 174.7 | -176.8 | -179.1 | -179.6 | 0 | 0 | 112.1 | Q452 L457 Q458 V486 F488 K489 S490 N493 | Q452-E454 PolarHBondContact O-N 2.96Å; E454-L457 PolarHBondContact O-N 2.85Å; E454-Q458 WeakPolarHBondContact O-CB 3.48Å; E454-Q458 PolarHBondContact O-N 3.11Å; E454-V486 HydrophobicContact CB-CG1 4.29Å; E454-F488 HydrophobicContact CG-CD1 4.14Å; E454-K489 PolarHBondContact OE1-N 3.16Å; E454-K489 VanDerWaalsContact OE2-CB 3.29Å; E454-K489 WeakPolarHBondContact OE2-CB 3.42Å; E454-K489 PolarHBondContact OE2-N 2.96Å; E454-S490 VanDerWaalsContact OE1-CB 3.27Å; E454-S490 WeakPolarHBondContact OE1-CB 3.43Å; E454-S490 PolarHBondContact OE1-N 3.02Å; E454-N493 HydrophobicContact CG-CB 4.4Å; E454-N493 PolarHBondContact OE1-ND2 3.15Å |
| 455 | Y | 94 | Very high | 93.3 | Very high | 148 Ų | 148 | 60.8 Ų | 60.8 | 58% | 0.58 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -68.8 | -37.1 | 177.4 | -178.6 | -91.8 | 0 | 0 | 0 | 111.9 | Q452 M453 Q458 N459 | Q452-Y455 WeakPolarHBondContact O-CB 3.36Å; Q452-Y455 PolarHBondContact O-N 2.88Å; Q452-Y455 VanDerWaalsContact O-N 3.13Å; M453-Y455 VanDerWaalsContact C-N 3.27Å; M453-Y455 PolarHBondContact O-N 2.88Å; Y455-Q458 PolarHBondContact O-N 3.37Å; Y455-N459 WeakPolarHBondContact CD1-ND2 3.41Å; Y455-N459 WeakPolarHBondContact CD2-ND2 3.43Å; Y455-N459 WeakPolarHBondContact CE1-ND2 3.41Å; Y455-N459 WeakPolarHBondContact CE2-ND2 3.4Å; Y455-N459 PolarHBondContact O-N 3.46Å; Y455-N459 PolarHBondContact O-ND2 3.32Å |
| 456 | M | 94.8 | Very high | 93.6 | Very high | 19 Ų | 19 | 59 Ų | 59 | 9% | 0.094 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.9 | -47.8 | 175.4 | -175.2 | -78.9 | -67.4 | 0 | 0 | 110.7 | I436 Q452 M453 Q458 N459 H460 V461 F483 | I436-M456 HydrophobicContact CG2-CE 3.75Å; I436-M456 HydrophobicContact CG2-SD 4.5Å; Q452-M456 PolarHBondContact O-N 3.02Å; M453-M456 HydrophobicContact CE-CB 4.49Å; M453-M456 WeakPolarHBondContact O-CB 3.34Å; M453-M456 PolarHBondContact O-N 3.36Å; M453-M456 HydrophobicContact SD-CE 4.15Å; M456-Q458 PolarHBondContact O-N 3.22Å; M456-N459 PolarHBondContact O-N 3.14Å; M456-H460 WeakPolarHBondContact O-CB 3.44Å; M456-H460 PolarHBondContact O-N 3.36Å; M456-V461 HydrophobicContact SD-CG2 3.94Å; M456-F483 HydrophobicContact CE-CD2 4.47Å; M456-F483 HydrophobicContact CE-CE2 4.03Å; M456-F483 HydrophobicContact CE-CZ 4.15Å |
| 457 | L | 96.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | I | π-helix | trans | -57.6 | -49 | 175.5 | -65.3 | 179.6 | 0 | 0 | 0 | 111 | M453 E454 N459 V461 F462 V479 L480 F483 V486 F488 | M453-L457 WeakPolarHBondContact O-CG 3.21Å; M453-L457 PolarHBondContact O-N 2.93Å; E454-L457 PolarHBondContact O-N 2.85Å; L457-N459 PolarHBondContact O-N 3.42Å; L457-V461 HydrophobicContact CD2-CB 4.22Å; L457-V461 HydrophobicContact CD2-CG2 3.85Å; L457-V461 CarbonylContact O-C 3.51Å; L457-V461 WeakPolarHBondContact O-CA 3.44Å; L457-V461 WeakPolarHBondContact O-CB 3.37Å; L457-V461 PolarHBondContact O-N 3.03Å; L457-F462 HydrophobicContact CB-CE1 4.2Å; L457-F462 HydrophobicContact CB-CZ 4.46Å; L457-F462 PolarHBondContact O-N 3.34Å; L457-V479 HydrophobicContact CD2-CG1 3.93Å; L457-L480 HydrophobicContact CD1-CD2 3.93Å; L457-L480 HydrophobicContact CD2-CD2 3.95Å; L457-L480 HydrophobicContact CG-CD2 4.39Å; L457-F483 HydrophobicContact CD1-CB 4.23Å; L457-F483 HydrophobicContact CD2-CB 4.31Å; L457-F483 HydrophobicContact CD2-CD2 4.38Å; L457-F483 HydrophobicContact CD2-CG 4.45Å; L457-V486 HydrophobicContact CD1-CB 4.48Å; L457-V486 HydrophobicContact CD1-CG1 4.42Å; L457-V486 HydrophobicContact CD1-CG2 4.23Å; L457-F488 HydrophobicContact CD1-CE1 4.37Å; L457-F488 HydrophobicContact CD1-CZ 4.21Å |
| 458 | Q | 96.2 | Very high | 94.2 | Very high | 77 Ų | 77 | 58.9 Ų | 58.9 | 36% | 0.36 | 29% | 0.294 | S | S | . | . | I | π-helix | trans | -59.6 | -42.7 | -178.6 | -172.9 | -176.2 | 48 | 0 | 0 | 113.3 | E454 Y455 M456 F462 N493 | E454-Q458 WeakPolarHBondContact O-CB 3.48Å; E454-Q458 PolarHBondContact O-N 3.11Å; Y455-Q458 PolarHBondContact O-N 3.37Å; M456-Q458 PolarHBondContact O-N 3.22Å; Q458-F462 HydrophobicContact CB-CD2 4.25Å; Q458-F462 HydrophobicContact CB-CE2 4.28Å; Q458-F462 HydrophobicContact CG-CD2 4.24Å; Q458-F462 HydrophobicContact CG-CE2 4.46Å; Q458-N493 PolarHBondContact NE2-OD1 2.9Å |
| 459 | N | 94.8 | Very high | 94.6 | Very high | 64 Ų | 64 | 56.1 Ų | 56.1 | 34% | 0.342 | 28% | 0.28 | S | S | . | . | I | π-helix | trans | -94 | -27.3 | -171.5 | -67.9 | -68.5 | 0 | 0 | 0 | 114.3 | Y455 M456 L457 | Y455-N459 WeakPolarHBondContact CD1-ND2 3.41Å; Y455-N459 WeakPolarHBondContact CD2-ND2 3.43Å; Y455-N459 WeakPolarHBondContact CE1-ND2 3.41Å; Y455-N459 WeakPolarHBondContact CE2-ND2 3.4Å; Y455-N459 PolarHBondContact O-N 3.46Å; Y455-N459 PolarHBondContact O-ND2 3.32Å; M456-N459 PolarHBondContact O-N 3.14Å; L457-N459 PolarHBondContact O-N 3.42Å |
| 460 | H | 95.3 | Very high | 94.8 | Very high | 40 Ų | 40 | 54.3 Ų | 54.3 | 19% | 0.185 | 27% | 0.274 | C | S | . | . | I | π-helix | trans | -116.3 | -21 | -172.8 | -62.3 | -66 | 0 | 0 | 0 | 113.9 | L419 M456 L464 | L419-H460 HydrophobicContact CD1-CB 4.32Å; M456-H460 WeakPolarHBondContact O-CB 3.44Å; M456-H460 PolarHBondContact O-N 3.36Å; H460-L464 VanDerWaalsContact O-CD1 3.24Å; H460-L464 WeakPolarHBondContact O-CD1 3.48Å; H460-L464 WeakPolarHBondContact O-CG 3.08Å |
| 461 | V | 97.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | I | π-helix | trans | -106.2 | -53.2 | -177.2 | -174.4 | 0 | 0 | 0 | 0 | 111.5 | L433 M456 L457 P463 L464 F465 A476 V479 L480 | L433-V461 HydrophobicContact CD2-CG2 4Å; M456-V461 HydrophobicContact SD-CG2 3.94Å; L457-V461 HydrophobicContact CD2-CB 4.22Å; L457-V461 HydrophobicContact CD2-CG2 3.85Å; L457-V461 CarbonylContact O-C 3.51Å; L457-V461 WeakPolarHBondContact O-CA 3.44Å; L457-V461 WeakPolarHBondContact O-CB 3.37Å; L457-V461 PolarHBondContact O-N 3.03Å; V461-P463 VanDerWaalsContact C-CD 3.44Å; V461-P463 VanDerWaalsContact C-N 3.35Å; V461-L464 VanDerWaalsContact O-CB 3.3Å; V461-L464 WeakPolarHBondContact O-CB 3.49Å; V461-L464 PolarHBondContact O-N 3.22Å; V461-F465 HydrophobicContact CG1-CE2 4.2Å; V461-A476 HydrophobicContact CG1-CB 3.92Å; V461-V479 HydrophobicContact CG1-CB 4.29Å; V461-V479 HydrophobicContact CG1-CG1 4.31Å; V461-V479 HydrophobicContact CG2-CG1 3.87Å; V461-L480 HydrophobicContact CG1-CG 4.45Å |
| 462 | F | 97.9 | Very high | 95.5 | Very high | 15 Ų | 15 | 46.7 Ų | 46.7 | 7% | 0.066 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -53.5 | -40.8 | -178.9 | -66.2 | -6.3 | 0 | 0 | 0 | 114.4 | L457 Q458 L464 F465 L480 F488 N493 T496 A497 L500 | L457-F462 HydrophobicContact CB-CE1 4.2Å; L457-F462 HydrophobicContact CB-CZ 4.46Å; L457-F462 PolarHBondContact O-N 3.34Å; Q458-F462 HydrophobicContact CB-CD2 4.25Å; Q458-F462 HydrophobicContact CB-CE2 4.28Å; Q458-F462 HydrophobicContact CG-CD2 4.24Å; Q458-F462 HydrophobicContact CG-CE2 4.46Å; F462-L464 PolarHBondContact O-N 2.61Å; F462-F465 PolarHBondContact O-N 2.65Å; F462-L480 HydrophobicContact CE1-CD1 4.42Å; F462-L480 HydrophobicContact CE1-CD2 4.01Å; F462-F488 HydrophobicContact CZ-CE1 4.45Å; F462-N493 HydrophobicContact CE2-CB 4.28Å; F462-T496 HydrophobicContact CD2-CG2 3.8Å; F462-T496 HydrophobicContact CE2-CG2 4.05Å; F462-T496 HydrophobicContact CG-CG2 4.39Å; F462-A497 HydrophobicContact CE1-CB 3.86Å; F462-A497 HydrophobicContact CZ-CB 3.88Å; F462-L500 HydrophobicContact CB-CD1 3.76Å; F462-L500 HydrophobicContact CD1-CD1 4.06Å; F462-L500 HydrophobicContact CG-CD1 3.91Å |
| 463 | P | 96.4 | Very high | 95.8 | Very high | 78 Ų | 78 | 42 Ų | 42 | 51% | 0.506 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -62.4 | -26 | 177.5 | -24.7 | 36.7 | 0 | 0 | 0 | 113.9 | V461 F465 S466 | V461-P463 VanDerWaalsContact C-CD 3.44Å; V461-P463 VanDerWaalsContact C-N 3.35Å; P463-F465 VanDerWaalsContact C-N 3.31Å; P463-F465 PolarHBondContact O-N 3.19Å; P463-S466 PolarHBondContact O-N 3.02Å |
| 464 | L | 96.5 | Very high | 96 | Very high | 28 Ų | 28 | 42 Ų | 42 | 15% | 0.147 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -72.8 | -21.8 | -176.6 | -62 | 177.4 | 0 | 0 | 0 | 113.3 | L433 H460 V461 F462 S466 S467 M472 R473 A476 | L433-L464 HydrophobicContact CD1-CD1 3.21Å; H460-L464 VanDerWaalsContact O-CD1 3.24Å; H460-L464 WeakPolarHBondContact O-CD1 3.48Å; H460-L464 WeakPolarHBondContact O-CG 3.08Å; V461-L464 VanDerWaalsContact O-CB 3.3Å; V461-L464 WeakPolarHBondContact O-CB 3.49Å; V461-L464 PolarHBondContact O-N 3.22Å; F462-L464 PolarHBondContact O-N 2.61Å; L464-S466 PolarHBondContact O-N 2.96Å; L464-S467 WeakPolarHBondContact O-CB 3.45Å; L464-S467 PolarHBondContact O-N 3.23Å; L464-M472 HydrophobicContact CD1-CE 3.74Å; L464-M472 HydrophobicContact CD2-CE 3.73Å; L464-M472 HydrophobicContact CG-CE 4.32Å; L464-R473 WeakPolarHBondContact O-CG 3.46Å; L464-A476 HydrophobicContact CB-CB 3.95Å |
| 465 | F | 97.3 | Very high | 96.1 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -61.8 | -12.7 | 171.8 | -76.9 | -95.5 | 0 | 0 | 0 | 113.8 | V461 F462 P463 A476 C477 L480 L500 T501 R503 | V461-F465 HydrophobicContact CG1-CE2 4.2Å; F462-F465 PolarHBondContact O-N 2.65Å; P463-F465 VanDerWaalsContact C-N 3.31Å; P463-F465 PolarHBondContact O-N 3.19Å; F465-A476 HydrophobicContact CD2-CB 3.7Å; F465-A476 HydrophobicContact CE2-CB 3.45Å; F465-A476 VanDerWaalsContact CE2-CB 3.45Å; F465-A476 HydrophobicContact CG-CB 4.36Å; F465-A476 HydrophobicContact CZ-CB 3.9Å; F465-C477 WeakPolarHBondContact CE1-SG 3.15Å; F465-L480 HydrophobicContact CE2-CD1 3.8Å; F465-L480 HydrophobicContact CE2-CG 4.45Å; F465-L480 HydrophobicContact CZ-CD1 3.51Å; F465-L480 HydrophobicContact CZ-CG 4.31Å; F465-L500 HydrophobicContact CB-CB 4.21Å; F465-L500 HydrophobicContact CB-CD1 4.21Å; F465-L500 HydrophobicContact CB-CD2 3.79Å; F465-L500 HydrophobicContact CB-CG 4.29Å; F465-L500 HydrophobicContact CD1-CB 3.64Å; F465-L500 HydrophobicContact CD2-CB 4.13Å; F465-L500 HydrophobicContact CD2-CD1 3.88Å; F465-L500 HydrophobicContact CE1-CB 3.97Å; F465-L500 HydrophobicContact CE2-CB 4.42Å; F465-L500 HydrophobicContact CE2-CD1 4.48Å; F465-L500 HydrophobicContact CG-CB 3.73Å; F465-L500 HydrophobicContact CG-CD1 4.05Å; F465-L500 HydrophobicContact CG-CD2 4.26Å; F465-L500 HydrophobicContact CG-CG 4.23Å; F465-L500 HydrophobicContact CZ-CB 4.37Å; F465-T501 HydrophobicContact CE1-CG2 4.07Å; F465-T501 HydrophobicContact CZ-CG2 4.09Å; F465-R503 PolarHBondContact O-NH2 2.67Å |
| 466 | S | 95.3 | Very high | 96.3 | Very high | 83 Ų | 83 | 35.5 Ų | 35.5 | 58% | 0.58 | 19% | 0.189 | S | C | * | . | G | 310 helix | trans | -109.5 | 12.4 | 173.6 | -54.3 | 0 | 0 | 0 | 0 | 112.7 | P463 L464 R503 | P463-S466 PolarHBondContact O-N 3.02Å; L464-S466 PolarHBondContact O-N 2.96Å; S466-R503 PolarHBondContact OG-NH2 3.14Å |
| 467 | S | 95.1 | Very high | 96.4 | Very high | 28 Ų | 28 | 34.6 Ų | 34.6 | 20% | 0.196 | 19% | 0.185 | C | C | . | . | trans | -63.3 | 141.7 | 173.3 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | L464 L469 R473 | L464-S467 WeakPolarHBondContact O-CB 3.45Å; L464-S467 PolarHBondContact O-N 3.23Å; S467-L469 PolarHBondContact O-N 3.06Å; S467-L469 PolarHBondContact OG-N 3.08Å; S467-L469 VanDerWaalsContact OG-N 3.12Å; S467-L469 PolarHBondContact OG-O 3.25Å; S467-R473 WeakPolarHBondContact O-CD 3.26Å; S467-R473 PolarHBondContact O-NH1 3.26Å | ||
| 468 | E | 94.7 | Very high | 96.5 | Very high | 172 Ų | 172 | 35.7 Ų | 35.7 | 80% | 0.804 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -69 | -25.1 | 172.1 | -63.5 | -174.4 | 168.7 | 0 | 0 | 112.2 | R473 R509 | E468-R473 PolarHBondContact O-NH1 3.02Å; E468-R509 PolarHBondContact O-NH2 3.46Å |
| 469 | L | 95.7 | Very high | 96.5 | Very high | 69 Ų | 69 | 32 Ų | 32 | 36% | 0.361 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -84.4 | 121.7 | 179.1 | -55.5 | 171.6 | 0 | 0 | 0 | 110.3 | P426 S467 Y471 M472 R473 | P426-L469 HydrophobicContact CB-CD1 3.61Å; P426-L469 HydrophobicContact CG-CD1 3.85Å; S467-L469 PolarHBondContact O-N 3.06Å; S467-L469 PolarHBondContact OG-N 3.08Å; S467-L469 VanDerWaalsContact OG-N 3.12Å; S467-L469 PolarHBondContact OG-O 3.25Å; L469-Y471 HydrophobicContact CB-CD1 4.22Å; L469-Y471 HydrophobicContact CB-CE1 3.88Å; L469-Y471 HydrophobicContact CD1-CE1 4.1Å; L469-Y471 HydrophobicContact CD2-CE1 4.34Å; L469-Y471 HydrophobicContact CG-CE1 4.33Å; L469-M472 HydrophobicContact CB-CB 4.34Å; L469-M472 HydrophobicContact CB-CG 3.98Å; L469-M472 HydrophobicContact CD1-CG 4.22Å; L469-M472 PolarHBondContact O-N 3.05Å; L469-R473 VanDerWaalsContact C-NH1 3.32Å; L469-R473 PolarHBondContact O-NH1 3.26Å |
| 470 | G | 96 | Very high | 96.6 | Very high | 3 Ų | 3 | 29 Ų | 29 | 3% | 0.031 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.3 | -44.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | W368 M472 R473 A474 E510 V513 | W368-G470 VanDerWaalsContact CZ2-C 3.45Å; G470-M472 PolarHBondContact O-N 2.83Å; G470-M472 VanDerWaalsContact O-N 3.1Å; G470-R473 WeakPolarHBondContact O-CA 3.41Å; G470-R473 WeakPolarHBondContact O-CB 3.47Å; G470-R473 PolarHBondContact O-N 2.68Å; G470-A474 PolarHBondContact O-N 2.6Å; G470-E510 VanDerWaalsContact CA-OE2 3.26Å; G470-E510 WeakPolarHBondContact CA-OE2 3.2Å; G470-V513 WeakPolarHBondContact O-CG2 3.29Å |
| 471 | Y | 95.6 | Very high | 96.6 | Very high | 14 Ų | 14 | 29.6 Ų | 29.6 | 6% | 0.055 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.1 | -29.4 | 178.3 | 71.1 | -96.5 | 0 | 0 | 0 | 112.9 | Y360 P426 D430 L469 R475 | Y360-Y471 HydrophobicContact CD1-CD1 4.09Å; Y360-Y471 HydrophobicContact CD1-CD2 4.19Å; Y360-Y471 HydrophobicContact CD1-CE1 4.16Å; Y360-Y471 HydrophobicContact CD1-CE2 4.27Å; Y360-Y471 HydrophobicContact CD1-CG 4.1Å; Y360-Y471 AromaticContact CD2-CD2 3.96Å; Y360-Y471 HydrophobicContact CD2-CD2 3.96Å; Y360-Y471 AromaticContact CD2-CG 3.87Å; Y360-Y471 HydrophobicContact CD2-CG 3.87Å; Y360-Y471 AromaticContact CE1-CD1 3.78Å; Y360-Y471 HydrophobicContact CE1-CD1 3.78Å; Y360-Y471 HydrophobicContact CE1-CE1 4.1Å; Y360-Y471 HydrophobicContact CE1-CG 4.04Å; Y360-Y471 VanDerWaalsContact CE2-CB 3.43Å; Y360-Y471 HydrophobicContact CE2-CD1 4.31Å; Y360-Y471 HydrophobicContact CE2-CD2 4.41Å; Y360-Y471 AromaticContact CE2-CG 3.84Å; Y360-Y471 HydrophobicContact CE2-CG 3.84Å; Y360-Y471 HydrophobicContact CG-CD1 4.44Å; Y360-Y471 AromaticContact CG-CD2 3.83Å; Y360-Y471 HydrophobicContact CG-CD2 3.83Å; Y360-Y471 HydrophobicContact CG-CE2 4.16Å; Y360-Y471 AromaticContact CG-CG 3.98Å; Y360-Y471 HydrophobicContact CG-CG 3.98Å; Y360-Y471 AromaticContact CZ-CD1 3.9Å; Y360-Y471 AromaticContact CZ-CG 3.91Å; P426-Y471 WeakPolarHBondContact CB-OH 3.45Å; D430-Y471 HydrophobicContact CB-CD2 4.33Å; D430-Y471 HydrophobicContact CB-CE2 4.18Å; L469-Y471 HydrophobicContact CB-CD1 4.22Å; L469-Y471 HydrophobicContact CB-CE1 3.88Å; L469-Y471 HydrophobicContact CD1-CE1 4.1Å; L469-Y471 HydrophobicContact CD2-CE1 4.34Å; L469-Y471 HydrophobicContact CG-CE1 4.33Å; Y471-R475 WeakPolarHBondContact O-CB 3.38Å; Y471-R475 PolarHBondContact O-N 3.42Å |
| 472 | M | 97.2 | Very high | 96.5 | Very high | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.015 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71.3 | -34.5 | 173.4 | -66.6 | -60.9 | -56.7 | 0 | 0 | 112.6 | P426 K429 D430 L464 L469 G470 A476 | P426-M472 HydrophobicContact CB-CG 4.47Å; P426-M472 HydrophobicContact CB-SD 4.25Å; K429-M472 HydrophobicContact CB-CE 3.97Å; D430-M472 HydrophobicContact CB-SD 3.77Å; L464-M472 HydrophobicContact CD1-CE 3.74Å; L464-M472 HydrophobicContact CD2-CE 3.73Å; L464-M472 HydrophobicContact CG-CE 4.32Å; L469-M472 HydrophobicContact CB-CB 4.34Å; L469-M472 HydrophobicContact CB-CG 3.98Å; L469-M472 HydrophobicContact CD1-CG 4.22Å; L469-M472 PolarHBondContact O-N 3.05Å; G470-M472 PolarHBondContact O-N 2.83Å; G470-M472 VanDerWaalsContact O-N 3.1Å; M472-A476 WeakPolarHBondContact O-CB 3.48Å; M472-A476 PolarHBondContact O-N 3.32Å; M472-A476 VanDerWaalsContact O-N 3.08Å |
| 473 | R | 97.8 | Very high | 96.4 | Very high | 13 Ų | 13 | 33.7 Ų | 33.7 | 5% | 0.049 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -70.6 | -43.1 | 174.2 | -61.3 | -167.8 | -60.4 | -76.7 | -2.1 | 110.6 | L464 S467 E468 L469 G470 A476 C477 D508 E510 V513 | L464-R473 WeakPolarHBondContact O-CG 3.46Å; S467-R473 WeakPolarHBondContact O-CD 3.26Å; S467-R473 PolarHBondContact O-NH1 3.26Å; E468-R473 PolarHBondContact O-NH1 3.02Å; L469-R473 VanDerWaalsContact C-NH1 3.32Å; L469-R473 PolarHBondContact O-NH1 3.26Å; G470-R473 WeakPolarHBondContact O-CA 3.41Å; G470-R473 WeakPolarHBondContact O-CB 3.47Å; G470-R473 PolarHBondContact O-N 2.68Å; R473-A476 WeakPolarHBondContact O-CB 3.39Å; R473-A476 PolarHBondContact O-N 3.35Å; R473-C477 PolarHBondContact O-N 2.91Å; R473-C477 PolarHBondContact O-SG 3.34Å; R473-D508 IonicContact CZ-OD1 3.88Å; R473-D508 IonicContact CZ-OD2 3.8Å; R473-D508 IonicContact NE-OD1 2.68Å; R473-D508 IonicContact NE-OD2 2.82Å; R473-D508 PolarHBondContact NE-OD2 3.18Å; R473-D508 IonicContact NH2-OD1 2.68Å; R473-D508 PolarHBondContact NH2-OD1 3.44Å; R473-D508 IonicContact NH2-OD2 2.82Å; R473-D508 PolarHBondContact NH2-OD2 2.99Å; R473-E510 IonicContact CZ-OE1 2.72Å; R473-E510 IonicContact NH1-OE1 2.6Å; R473-E510 IonicContact NH2-OE1 3.93Å; R473-E510 PolarHBondContact NH2-OE1 2.91Å; R473-V513 HydrophobicContact CB-CG1 3.78Å; R473-V513 HydrophobicContact CB-CG2 4.27Å |
| 474 | A | 96.9 | Very high | 96.3 | Very high | 7 Ų | 7 | 30.5 Ų | 30.5 | 6% | 0.058 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.9 | -49.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | W368 G470 A476 C477 W478 V513 E516 | W368-A474 HydrophobicContact CH2-CB 3.82Å; W368-A474 HydrophobicContact CZ3-CB 4.3Å; G470-A474 PolarHBondContact O-N 2.6Å; A474-A476 PolarHBondContact O-N 2.94Å; A474-C477 WeakPolarHBondContact O-CB 3.22Å; A474-C477 PolarHBondContact O-N 3.34Å; A474-W478 PolarHBondContact O-N 3.1Å; A474-V513 HydrophobicContact CB-CG2 4.14Å; A474-E516 HydrophobicContact CB-CB 4.48Å; A474-E516 HydrophobicContact CB-CG 4.2Å |
| 475 | R | 97 | Very high | 96.1 | Very high | 32 Ų | 32 | 35 Ų | 35 | 12% | 0.121 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.7 | -37 | 175 | -178.1 | 58.4 | 62.8 | -160.5 | -1.9 | 112.7 | D430 L433 H434 Y471 W478 V479 | D430-R475 WeakPolarHBondContact OD1-CB 3.47Å; D430-R475 VanDerWaalsContact OD1-CG 3.29Å; D430-R475 WeakPolarHBondContact OD1-CG 3.39Å; D430-R475 IonicContact OD1-CZ 3.79Å; D430-R475 IonicContact OD1-NE 3.28Å; D430-R475 PolarHBondContact OD1-NE 3.49Å; D430-R475 IonicContact OD1-NH2 2.63Å; L433-R475 HydrophobicContact CB-CG 3.87Å; L433-R475 HydrophobicContact CD1-CG 4.31Å; H434-R475 PolarHBondContact CD2-NH1 3.19Å; H434-R475 PolarHBondContact ND1-NH2 3.13Å; Y471-R475 WeakPolarHBondContact O-CB 3.38Å; Y471-R475 PolarHBondContact O-N 3.42Å; R475-W478 PolarHBondContact O-N 3.36Å; R475-V479 HydrophobicContact CG-CG2 4.38Å; R475-V479 VanDerWaalsContact O-CG2 3.27Å; R475-V479 WeakPolarHBondContact O-CG2 3.47Å; R475-V479 PolarHBondContact O-N 2.98Å |
| 476 | A | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.5 | -38.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V461 L464 F465 M472 R473 A474 L480 | V461-A476 HydrophobicContact CG1-CB 3.92Å; L464-A476 HydrophobicContact CB-CB 3.95Å; F465-A476 HydrophobicContact CD2-CB 3.7Å; F465-A476 HydrophobicContact CE2-CB 3.45Å; F465-A476 VanDerWaalsContact CE2-CB 3.45Å; F465-A476 HydrophobicContact CG-CB 4.36Å; F465-A476 HydrophobicContact CZ-CB 3.9Å; M472-A476 WeakPolarHBondContact O-CB 3.48Å; M472-A476 PolarHBondContact O-N 3.32Å; M472-A476 VanDerWaalsContact O-N 3.08Å; R473-A476 WeakPolarHBondContact O-CB 3.39Å; R473-A476 PolarHBondContact O-N 3.35Å; A474-A476 PolarHBondContact O-N 2.94Å; A476-L480 PolarHBondContact O-N 3.41Å |
| 477 | C | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.9 | -49.8 | 171.7 | -61.1 | 0 | 0 | 0 | 0 | 110.7 | F465 R473 A474 V479 L480 H481 E516 A520 | F465-C477 WeakPolarHBondContact CE1-SG 3.15Å; R473-C477 PolarHBondContact O-N 2.91Å; R473-C477 PolarHBondContact O-SG 3.34Å; A474-C477 WeakPolarHBondContact O-CB 3.22Å; A474-C477 PolarHBondContact O-N 3.34Å; C477-V479 VanDerWaalsContact C-N 3.32Å; C477-V479 PolarHBondContact O-N 2.99Å; C477-L480 WeakPolarHBondContact O-CA 3.36Å; C477-L480 WeakPolarHBondContact O-CB 3.3Å; C477-L480 PolarHBondContact O-N 3.47Å; C477-H481 PolarHBondContact O-N 3.08Å; C477-E516 HydrophobicContact CB-CB 3.84Å; C477-A520 HydrophobicContact CB-CB 4.22Å; C477-A520 VanDerWaalsContact O-CB 3.28Å; C477-A520 WeakPolarHBondContact O-CB 3.34Å |
| 478 | W | 96.8 | Very high | 95.4 | Very high | 23 Ų | 23 | 38.3 Ų | 38.3 | 9% | 0.087 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -55.7 | -43.9 | 177.6 | -173.4 | 94.1 | 0 | 0 | 0 | 112.2 | H434 A474 R475 L480 H481 Y482 | H434-W478 AromaticContact CD2-CH2 3.6Å; H434-W478 AromaticContact CD2-CZ3 3.95Å; A474-W478 PolarHBondContact O-N 3.1Å; R475-W478 PolarHBondContact O-N 3.36Å; W478-L480 VanDerWaalsContact C-N 3.33Å; W478-L480 PolarHBondContact O-N 2.82Å; W478-H481 WeakPolarHBondContact O-CB 3.27Å; W478-H481 PolarHBondContact O-N 3.18Å; W478-Y482 AromaticContact CD2-CD2 3.75Å; W478-Y482 HydrophobicContact CD2-CD2 3.75Å; W478-Y482 AromaticContact CD2-CE2 3.78Å; W478-Y482 HydrophobicContact CD2-CE2 3.78Å; W478-Y482 AromaticContact CE2-CD2 3.55Å; W478-Y482 AromaticContact CE2-CE2 3.09Å; W478-Y482 AromaticContact CE2-CZ 3.89Å; W478-Y482 HydrophobicContact CE3-CD2 4.05Å; W478-Y482 HydrophobicContact CE3-CE2 4.43Å; W478-Y482 HydrophobicContact CG-CD2 4.37Å; W478-Y482 HydrophobicContact CG-CE2 4.32Å; W478-Y482 AromaticContact CH2-CD2 3.94Å; W478-Y482 HydrophobicContact CH2-CD2 3.94Å; W478-Y482 AromaticContact CH2-CE2 3.91Å; W478-Y482 HydrophobicContact CH2-CE2 3.91Å; W478-Y482 HydrophobicContact CH2-CG 4.36Å; W478-Y482 AromaticContact CZ2-CD2 3.64Å; W478-Y482 HydrophobicContact CZ2-CD2 3.64Å; W478-Y482 HydrophobicContact CZ2-CE1 4.28Å; W478-Y482 AromaticContact CZ2-CE2 3.16Å; W478-Y482 HydrophobicContact CZ2-CE2 3.16Å; W478-Y482 HydrophobicContact CZ2-CG 4.4Å; W478-Y482 AromaticContact CZ2-CZ 3.5Å; W478-Y482 HydrophobicContact CZ3-CD2 4.17Å; W478-Y482 AromaticContact NE1-CE2 3.32Å; W478-Y482 VanDerWaalsContact NE1-CE2 3.32Å; W478-Y482 WeakPolarHBondContact O-CD2 3.46Å; W478-Y482 PolarHBondContact O-N 3.21Å; W478-Y482 VanDerWaalsContact O-N 3.14Å |
| 479 | V | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.3 | -39.6 | 175.5 | 174.4 | 0 | 0 | 0 | 0 | 111.4 | L433 L457 V461 R475 C477 H481 Y482 F483 | L433-V479 HydrophobicContact CB-CG2 3.95Å; L457-V479 HydrophobicContact CD2-CG1 3.93Å; V461-V479 HydrophobicContact CG1-CB 4.29Å; V461-V479 HydrophobicContact CG1-CG1 4.31Å; V461-V479 HydrophobicContact CG2-CG1 3.87Å; R475-V479 HydrophobicContact CG-CG2 4.38Å; R475-V479 VanDerWaalsContact O-CG2 3.27Å; R475-V479 WeakPolarHBondContact O-CG2 3.47Å; R475-V479 PolarHBondContact O-N 2.98Å; C477-V479 VanDerWaalsContact C-N 3.32Å; C477-V479 PolarHBondContact O-N 2.99Å; V479-H481 VanDerWaalsContact C-N 3.32Å; V479-H481 PolarHBondContact O-N 3.04Å; V479-Y482 PolarHBondContact O-N 3.32Å; V479-F483 HydrophobicContact CG1-CD2 3.7Å; V479-F483 HydrophobicContact CG1-CE2 4.07Å; V479-F483 WeakPolarHBondContact O-CB 3.35Å; V479-F483 VanDerWaalsContact O-CD2 3.31Å; V479-F483 WeakPolarHBondContact O-CD2 3.45Å; V479-F483 PolarHBondContact O-N 2.98Å |
| 480 | L | 96.5 | Very high | 95.1 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.8 | -33.7 | 176 | -73.6 | -176.8 | 0 | 0 | 0 | 113.3 | L457 V461 F462 F465 A476 C477 W478 F483 C484 A497 T501 L524 | L457-L480 HydrophobicContact CD1-CD2 3.93Å; L457-L480 HydrophobicContact CD2-CD2 3.95Å; L457-L480 HydrophobicContact CG-CD2 4.39Å; V461-L480 HydrophobicContact CG1-CG 4.45Å; F462-L480 HydrophobicContact CE1-CD1 4.42Å; F462-L480 HydrophobicContact CE1-CD2 4.01Å; F465-L480 HydrophobicContact CE2-CD1 3.8Å; F465-L480 HydrophobicContact CE2-CG 4.45Å; F465-L480 HydrophobicContact CZ-CD1 3.51Å; F465-L480 HydrophobicContact CZ-CG 4.31Å; A476-L480 PolarHBondContact O-N 3.41Å; C477-L480 WeakPolarHBondContact O-CA 3.36Å; C477-L480 WeakPolarHBondContact O-CB 3.3Å; C477-L480 PolarHBondContact O-N 3.47Å; W478-L480 VanDerWaalsContact C-N 3.33Å; W478-L480 PolarHBondContact O-N 2.82Å; L480-F483 CarbonylContact O-C 3.6Å; L480-F483 PolarHBondContact O-N 3.3Å; L480-C484 PolarHBondContact O-N 3.38Å; L480-A497 HydrophobicContact CD1-CB 4.16Å; L480-T501 HydrophobicContact CD1-CG2 3.67Å; L480-L524 HydrophobicContact CB-CD1 4.36Å |
| 481 | H | 95.3 | Very high | 94.9 | Very high | 51 Ų | 51 | 38.6 Ų | 38.6 | 24% | 0.236 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -56.5 | -55.8 | 170.7 | 168 | -162.9 | 0 | 0 | 0 | 110.3 | C477 W478 V479 F483 C484 A520 | C477-H481 PolarHBondContact O-N 3.08Å; W478-H481 WeakPolarHBondContact O-CB 3.27Å; W478-H481 PolarHBondContact O-N 3.18Å; V479-H481 VanDerWaalsContact C-N 3.32Å; V479-H481 PolarHBondContact O-N 3.04Å; H481-F483 PolarHBondContact O-N 3.44Å; H481-C484 VanDerWaalsContact O-CB 3.24Å; H481-C484 WeakPolarHBondContact O-CB 3.49Å; H481-C484 PolarHBondContact O-N 3.03Å; H481-C484 VanDerWaalsContact O-N 3.15Å; H481-C484 PolarHBondContact O-SG 3.46Å; H481-A520 HydrophobicContact CB-CB 3.96Å |
| 482 | Y | 95.5 | Very high | 94.9 | Very high | 101 Ų | 101 | 43.3 Ų | 43.3 | 40% | 0.396 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -67.6 | -21.3 | -178.3 | -80.7 | -94.9 | 0 | 0 | 0 | 114.2 | A440 W478 V479 | A440-Y482 WeakPolarHBondContact CB-O 3.39Å; W478-Y482 AromaticContact CD2-CD2 3.75Å; W478-Y482 HydrophobicContact CD2-CD2 3.75Å; W478-Y482 AromaticContact CD2-CE2 3.78Å; W478-Y482 HydrophobicContact CD2-CE2 3.78Å; W478-Y482 AromaticContact CE2-CD2 3.55Å; W478-Y482 AromaticContact CE2-CE2 3.09Å; W478-Y482 AromaticContact CE2-CZ 3.89Å; W478-Y482 HydrophobicContact CE3-CD2 4.05Å; W478-Y482 HydrophobicContact CE3-CE2 4.43Å; W478-Y482 HydrophobicContact CG-CD2 4.37Å; W478-Y482 HydrophobicContact CG-CE2 4.32Å; W478-Y482 AromaticContact CH2-CD2 3.94Å; W478-Y482 HydrophobicContact CH2-CD2 3.94Å; W478-Y482 AromaticContact CH2-CE2 3.91Å; W478-Y482 HydrophobicContact CH2-CE2 3.91Å; W478-Y482 HydrophobicContact CH2-CG 4.36Å; W478-Y482 AromaticContact CZ2-CD2 3.64Å; W478-Y482 HydrophobicContact CZ2-CD2 3.64Å; W478-Y482 HydrophobicContact CZ2-CE1 4.28Å; W478-Y482 AromaticContact CZ2-CE2 3.16Å; W478-Y482 HydrophobicContact CZ2-CE2 3.16Å; W478-Y482 HydrophobicContact CZ2-CG 4.4Å; W478-Y482 AromaticContact CZ2-CZ 3.5Å; W478-Y482 HydrophobicContact CZ3-CD2 4.17Å; W478-Y482 AromaticContact NE1-CE2 3.32Å; W478-Y482 VanDerWaalsContact NE1-CE2 3.32Å; W478-Y482 WeakPolarHBondContact O-CD2 3.46Å; W478-Y482 PolarHBondContact O-N 3.21Å; W478-Y482 VanDerWaalsContact O-N 3.14Å; V479-Y482 PolarHBondContact O-N 3.32Å |
| 483 | F | 96 | Very high | 94.9 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 23.4 | 175.8 | -77 | -77.1 | 0 | 0 | 0 | 113 | I436 A440 L443 L444 M453 M456 L457 V479 L480 H481 E485 V486 | I436-F483 HydrophobicContact CG2-CE2 3.83Å; I436-F483 HydrophobicContact CG2-CZ 3.83Å; A440-F483 HydrophobicContact CB-CD1 4.09Å; A440-F483 HydrophobicContact CB-CD2 4.15Å; A440-F483 HydrophobicContact CB-CE1 3.82Å; A440-F483 HydrophobicContact CB-CE2 3.89Å; A440-F483 HydrophobicContact CB-CG 4.26Å; A440-F483 HydrophobicContact CB-CZ 3.73Å; L443-F483 HydrophobicContact CB-CE1 4.34Å; L443-F483 HydrophobicContact CD1-CE1 4.46Å; L443-F483 HydrophobicContact CD1-CZ 3.92Å; L444-F483 HydrophobicContact CD1-CD1 4.23Å; L444-F483 HydrophobicContact CD2-CD1 4.17Å; L444-F483 HydrophobicContact CG-CD1 4.19Å; L444-F483 HydrophobicContact CG-CE1 4.35Å; M453-F483 HydrophobicContact CB-CD1 4.47Å; M453-F483 HydrophobicContact CB-CE1 4.47Å; M453-F483 HydrophobicContact CG-CD1 4.33Å; M453-F483 HydrophobicContact CG-CE1 3.9Å; M453-F483 HydrophobicContact SD-CD1 4.41Å; M453-F483 HydrophobicContact SD-CE1 3.54Å; M453-F483 VanDerWaalsContact SD-CE1 3.54Å; M453-F483 HydrophobicContact SD-CZ 3.92Å; M456-F483 HydrophobicContact CE-CD2 4.47Å; M456-F483 HydrophobicContact CE-CE2 4.03Å; M456-F483 HydrophobicContact CE-CZ 4.15Å; L457-F483 HydrophobicContact CD1-CB 4.23Å; L457-F483 HydrophobicContact CD2-CB 4.31Å; L457-F483 HydrophobicContact CD2-CD2 4.38Å; L457-F483 HydrophobicContact CD2-CG 4.45Å; V479-F483 HydrophobicContact CG1-CD2 3.7Å; V479-F483 HydrophobicContact CG1-CE2 4.07Å; V479-F483 WeakPolarHBondContact O-CB 3.35Å; V479-F483 VanDerWaalsContact O-CD2 3.31Å; V479-F483 WeakPolarHBondContact O-CD2 3.45Å; V479-F483 PolarHBondContact O-N 2.98Å; L480-F483 CarbonylContact O-C 3.6Å; L480-F483 PolarHBondContact O-N 3.3Å; H481-F483 PolarHBondContact O-N 3.44Å; F483-E485 PolarHBondContact O-N 3.24Å; F483-V486 HydrophobicContact CB-CG2 3.73Å; F483-V486 HydrophobicContact CD1-CG2 3.69Å; F483-V486 HydrophobicContact CG-CG2 4.15Å; F483-V486 VanDerWaalsContact O-CB 3.31Å; F483-V486 WeakPolarHBondContact O-CB 3.37Å; F483-V486 VanDerWaalsContact O-CG2 3.26Å; F483-V486 WeakPolarHBondContact O-CG2 3.44Å; F483-V486 PolarHBondContact O-N 3.34Å |
| 484 | C | 92.8 | Very high | 94.8 | Very high | 11 Ų | 11 | 43.3 Ų | 43.3 | 7% | 0.074 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -31.6 | -179.7 | 57.5 | 0 | 0 | 0 | 0 | 113.7 | L480 H481 V486 V523 L524 N527 Q528 | L480-C484 PolarHBondContact O-N 3.38Å; H481-C484 VanDerWaalsContact O-CB 3.24Å; H481-C484 WeakPolarHBondContact O-CB 3.49Å; H481-C484 PolarHBondContact O-N 3.03Å; H481-C484 VanDerWaalsContact O-N 3.15Å; H481-C484 PolarHBondContact O-SG 3.46Å; C484-V486 VanDerWaalsContact C-N 3.27Å; C484-V486 PolarHBondContact O-N 2.94Å; C484-V523 HydrophobicContact CB-CB 4.38Å; C484-V523 HydrophobicContact CB-CG1 3.6Å; C484-V523 WeakPolarHBondContact SG-CG1 3.27Å; C484-L524 HydrophobicContact CB-CD2 4.29Å; C484-N527 HydrophobicContact CB-CB 4.38Å; C484-Q528 PolarHBondContact O-NE2 2.89Å |
| 485 | E | 92.3 | Very high | 94.7 | Very high | 123 Ų | 123 | 46.3 Ų | 46.3 | 58% | 0.575 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | 1.7 | 177.5 | -64.6 | 177.9 | -177.5 | 0 | 0 | 114 | L444 F483 K487 | L444-E485 HydrophobicContact CD1-CB 4.18Å; F483-E485 PolarHBondContact O-N 3.24Å; E485-K487 PolarHBondContact O-N 2.61Å; E485-K487 VanDerWaalsContact O-N 3.15Å |
| 486 | V | 93 | Very high | 94.7 | Very high | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.018 | 22% | 0.22 | C | C | . | . | trans | -57.8 | 124.1 | 175.4 | 166.8 | 0 | 0 | 0 | 0 | 109.8 | L444 M453 E454 L457 F483 C484 F488 Q528 | L444-V486 HydrophobicContact CD2-CG2 3.62Å; M453-V486 HydrophobicContact CB-CG2 3.94Å; E454-V486 HydrophobicContact CB-CG1 4.29Å; L457-V486 HydrophobicContact CD1-CB 4.48Å; L457-V486 HydrophobicContact CD1-CG1 4.42Å; L457-V486 HydrophobicContact CD1-CG2 4.23Å; F483-V486 HydrophobicContact CB-CG2 3.73Å; F483-V486 HydrophobicContact CD1-CG2 3.69Å; F483-V486 HydrophobicContact CG-CG2 4.15Å; F483-V486 VanDerWaalsContact O-CB 3.31Å; F483-V486 WeakPolarHBondContact O-CB 3.37Å; F483-V486 VanDerWaalsContact O-CG2 3.26Å; F483-V486 WeakPolarHBondContact O-CG2 3.44Å; F483-V486 PolarHBondContact O-N 3.34Å; C484-V486 VanDerWaalsContact C-N 3.27Å; C484-V486 PolarHBondContact O-N 2.94Å; V486-F488 HydrophobicContact CB-CE2 4.36Å; V486-F488 HydrophobicContact CG1-CE2 4.45Å; V486-F488 WeakPolarHBondContact O-CD2 3.4Å; V486-F488 PolarHBondContact O-N 2.99Å; V486-Q528 PolarHBondContact O-NE2 2.89Å | ||
| 487 | K | 89.8 | Confident | 94.7 | Very high | 155 Ų | 155 | 46.8 Ų | 46.8 | 67% | 0.674 | 22% | 0.22 | S | C | * | . | trans | -73.4 | 95 | 172.6 | -63.2 | -170 | 178.2 | -172.9 | 0 | 109.9 | E485 K489 | E485-K487 PolarHBondContact O-N 2.61Å; E485-K487 VanDerWaalsContact O-N 3.15Å; K487-K489 PolarHBondContact O-N 3.33Å | ||
| 488 | F | 91.1 | Very high | 94.6 | Very high | 23 Ų | 23 | 46.9 Ų | 46.9 | 10% | 0.101 | 22% | 0.221 | C | C | . | . | trans | -66.2 | 113.8 | 176.4 | -69.9 | -87.9 | 0 | 0 | 0 | 110.9 | E454 L457 F462 V486 N493 L494 A497 L524 | E454-F488 HydrophobicContact CG-CD1 4.14Å; L457-F488 HydrophobicContact CD1-CE1 4.37Å; L457-F488 HydrophobicContact CD1-CZ 4.21Å; F462-F488 HydrophobicContact CZ-CE1 4.45Å; V486-F488 HydrophobicContact CB-CE2 4.36Å; V486-F488 HydrophobicContact CG1-CE2 4.45Å; V486-F488 WeakPolarHBondContact O-CD2 3.4Å; V486-F488 PolarHBondContact O-N 2.99Å; F488-N493 HydrophobicContact CD1-CB 3.91Å; F488-N493 HydrophobicContact CE1-CB 4.39Å; F488-L494 HydrophobicContact CB-CB 4.1Å; F488-L494 HydrophobicContact CD1-CB 4.33Å; F488-L494 HydrophobicContact CD2-CB 4.27Å; F488-L494 HydrophobicContact CD2-CD1 3.92Å; F488-L494 HydrophobicContact CE2-CD1 4.02Å; F488-L494 HydrophobicContact CG-CB 3.98Å; F488-L494 HydrophobicContact CG-CD1 4.48Å; F488-A497 HydrophobicContact CZ-CB 4.32Å; F488-L524 HydrophobicContact CE2-CD2 4.5Å | ||
| 489 | K | 90.7 | Very high | 94.6 | Very high | 144 Ų | 144 | 49.7 Ų | 49.7 | 63% | 0.626 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -77 | -28 | 175 | -60.8 | 175 | -175.7 | 172.6 | 0 | 111.4 | D451 E454 K487 | D451-K489 IonicContact OD1-NZ 3.93Å; D451-K489 PolarHBondContact OD1-NZ 3.37Å; E454-K489 PolarHBondContact OE1-N 3.16Å; E454-K489 VanDerWaalsContact OE2-CB 3.29Å; E454-K489 WeakPolarHBondContact OE2-CB 3.42Å; E454-K489 PolarHBondContact OE2-N 2.96Å; K487-K489 PolarHBondContact O-N 3.33Å |
| 490 | S | 93.3 | Very high | 94.6 | Very high | 43 Ų | 43 | 50.5 Ų | 50.5 | 30% | 0.301 | 24% | 0.239 | S | C | . | . | trans | -104.5 | 114.1 | 176 | -179.5 | 0 | 0 | 0 | 0 | 110.9 | E454 Q492 N493 L494 | E454-S490 VanDerWaalsContact OE1-CB 3.27Å; E454-S490 WeakPolarHBondContact OE1-CB 3.43Å; E454-S490 PolarHBondContact OE1-N 3.02Å; S490-Q492 PolarHBondContact O-N 2.84Å; S490-Q492 VanDerWaalsContact O-N 3.12Å; S490-Q492 PolarHBondContact OG-N 3.19Å; S490-N493 WeakPolarHBondContact O-CB 3.36Å; S490-N493 PolarHBondContact O-N 3.45Å; S490-L494 PolarHBondContact O-N 3.44Å | ||
| 491 | D | 92.7 | Very high | 94.7 | Very high | 62 Ų | 62 | 50.5 Ų | 50.5 | 33% | 0.332 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -55.8 | -30.9 | 172.9 | -72.4 | -4.9 | 0 | 0 | 0 | 111.8 | N493 L494 Q495 K530 | D491-N493 VanDerWaalsContact C-N 3.3Å; D491-N493 PolarHBondContact O-N 2.82Å; D491-L494 PolarHBondContact O-N 3.16Å; D491-Q495 WeakPolarHBondContact O-CG 3.21Å; D491-Q495 PolarHBondContact O-N 2.76Å; D491-K530 IonicContact OD1-NZ 3.2Å; D491-K530 PolarHBondContact OD1-NZ 3.27Å; D491-K530 IonicContact OD2-NZ 3.32Å; D491-K530 PolarHBondContact OD2-NZ 2.95Å |
| 492 | Q | 94.9 | Very high | 94.8 | Very high | 113 Ų | 113 | 49.3 Ų | 49.3 | 53% | 0.528 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64 | -34.5 | 175 | -174.7 | 62.7 | 60.6 | 0 | 0 | 112.3 | S490 T496 | S490-Q492 PolarHBondContact O-N 2.84Å; S490-Q492 VanDerWaalsContact O-N 3.12Å; S490-Q492 PolarHBondContact OG-N 3.19Å; Q492-T496 WeakPolarHBondContact O-CB 3.29Å; Q492-T496 PolarHBondContact O-N 3.35Å; Q492-T496 PolarHBondContact O-OG1 2.82Å |
| 493 | N | 96 | Very high | 94.9 | Very high | 13 Ų | 13 | 48.7 Ų | 48.7 | 7% | 0.07 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -72.7 | -39.8 | 178.6 | -74.2 | -19.9 | 0 | 0 | 0 | 110.8 | E454 Q458 F462 F488 S490 D491 T496 A497 | E454-N493 HydrophobicContact CG-CB 4.4Å; E454-N493 PolarHBondContact OE1-ND2 3.15Å; Q458-N493 PolarHBondContact NE2-OD1 2.9Å; F462-N493 HydrophobicContact CE2-CB 4.28Å; F488-N493 HydrophobicContact CD1-CB 3.91Å; F488-N493 HydrophobicContact CE1-CB 4.39Å; S490-N493 WeakPolarHBondContact O-CB 3.36Å; S490-N493 PolarHBondContact O-N 3.45Å; D491-N493 VanDerWaalsContact C-N 3.3Å; D491-N493 PolarHBondContact O-N 2.82Å; N493-T496 PolarHBondContact O-N 2.63Å; N493-A497 WeakPolarHBondContact O-CB 3.37Å; N493-A497 PolarHBondContact O-N 3.26Å |
| 494 | L | 95.8 | Very high | 95 | Very high | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.2 | -49.6 | 172.3 | 177.3 | 59.7 | 0 | 0 | 0 | 111.2 | F488 S490 D491 T496 A497 L498 Q528 K530 Y534 | F488-L494 HydrophobicContact CB-CB 4.1Å; F488-L494 HydrophobicContact CD1-CB 4.33Å; F488-L494 HydrophobicContact CD2-CB 4.27Å; F488-L494 HydrophobicContact CD2-CD1 3.92Å; F488-L494 HydrophobicContact CE2-CD1 4.02Å; F488-L494 HydrophobicContact CG-CB 3.98Å; F488-L494 HydrophobicContact CG-CD1 4.48Å; S490-L494 PolarHBondContact O-N 3.44Å; D491-L494 PolarHBondContact O-N 3.16Å; L494-T496 PolarHBondContact O-N 2.79Å; L494-A497 WeakPolarHBondContact O-CB 3.33Å; L494-A497 PolarHBondContact O-N 3.28Å; L494-A497 VanDerWaalsContact O-N 3.13Å; L494-L498 HydrophobicContact CD1-CD1 3.97Å; L494-L498 HydrophobicContact CD1-CG 4.14Å; L494-L498 HydrophobicContact CG-CD1 3.92Å; L494-L498 WeakPolarHBondContact O-CG 3.33Å; L494-L498 PolarHBondContact O-N 3.02Å; L494-Q528 HydrophobicContact CD1-CB 4.24Å; L494-Q528 HydrophobicContact CD1-CG 4.12Å; L494-Q528 HydrophobicContact CD2-CB 4.42Å; L494-K530 HydrophobicContact CD2-CB 3.96Å; L494-Y534 HydrophobicContact CD2-CE2 4.26Å |
| 495 | Q | 95.9 | Very high | 95.2 | Very high | 70 Ų | 70 | 48.2 Ų | 48.2 | 33% | 0.327 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -56.9 | -39.6 | 175 | -73.2 | 177.3 | 21.6 | 0 | 0 | 112.1 | D491 E499 Y534 | D491-Q495 WeakPolarHBondContact O-CG 3.21Å; D491-Q495 PolarHBondContact O-N 2.76Å; Q495-E499 WeakPolarHBondContact O-CB 3.14Å; Q495-E499 PolarHBondContact O-N 3.49Å; Q495-Y534 HydrophobicContact CG-CD1 3.94Å; Q495-Y534 HydrophobicContact CG-CD2 3.76Å; Q495-Y534 HydrophobicContact CG-CE1 3.73Å; Q495-Y534 HydrophobicContact CG-CE2 3.53Å; Q495-Y534 HydrophobicContact CG-CG 3.96Å; Q495-Y534 PolarHBondContact NE2-OH 2.99Å |
| 496 | T | 96.9 | Very high | 95.5 | Very high | 41 Ų | 41 | 44.3 Ų | 44.3 | 25% | 0.252 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -66.9 | -44.1 | 177.5 | -56.3 | 0 | 0 | 0 | 0 | 111 | F462 Q492 N493 L494 E499 L500 | F462-T496 HydrophobicContact CD2-CG2 3.8Å; F462-T496 HydrophobicContact CE2-CG2 4.05Å; F462-T496 HydrophobicContact CG-CG2 4.39Å; Q492-T496 WeakPolarHBondContact O-CB 3.29Å; Q492-T496 PolarHBondContact O-N 3.35Å; Q492-T496 PolarHBondContact O-OG1 2.82Å; N493-T496 PolarHBondContact O-N 2.63Å; L494-T496 PolarHBondContact O-N 2.79Å; T496-E499 PolarHBondContact O-N 3.17Å; T496-L500 HydrophobicContact CG2-CD1 3.79Å; T496-L500 HydrophobicContact CG2-CG 4.19Å; T496-L500 VanDerWaalsContact O-CB 3.31Å; T496-L500 WeakPolarHBondContact O-CB 3.27Å; T496-L500 WeakPolarHBondContact O-CG 3.35Å; T496-L500 PolarHBondContact O-N 2.83Å |
| 497 | A | 96.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.2 | -49.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | F462 L480 F488 N493 L494 L500 T501 | F462-A497 HydrophobicContact CE1-CB 3.86Å; F462-A497 HydrophobicContact CZ-CB 3.88Å; L480-A497 HydrophobicContact CD1-CB 4.16Å; F488-A497 HydrophobicContact CZ-CB 4.32Å; N493-A497 WeakPolarHBondContact O-CB 3.37Å; N493-A497 PolarHBondContact O-N 3.26Å; L494-A497 WeakPolarHBondContact O-CB 3.33Å; L494-A497 PolarHBondContact O-N 3.28Å; L494-A497 VanDerWaalsContact O-N 3.13Å; A497-L500 PolarHBondContact O-N 3.43Å; A497-T501 PolarHBondContact O-N 2.88Å; A497-T501 PolarHBondContact O-OG1 3.4Å; A497-T501 VanDerWaalsContact O-OG1 3.11Å |
| 498 | L | 97 | Very high | 95.9 | Very high | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.7 | -43.3 | 178.5 | -67.2 | 168.1 | 0 | 0 | 0 | 112.5 | L494 L500 T501 R502 L521 L524 A531 Y534 I535 | L494-L498 HydrophobicContact CD1-CD1 3.97Å; L494-L498 HydrophobicContact CD1-CG 4.14Å; L494-L498 HydrophobicContact CG-CD1 3.92Å; L494-L498 WeakPolarHBondContact O-CG 3.33Å; L494-L498 PolarHBondContact O-N 3.02Å; L498-L500 VanDerWaalsContact C-N 3.35Å; L498-L500 PolarHBondContact O-N 3.2Å; L498-T501 PolarHBondContact O-OG1 2.8Å; L498-T501 VanDerWaalsContact O-OG1 3.12Å; L498-R502 WeakPolarHBondContact O-CB 3.29Å; L498-R502 PolarHBondContact O-N 3.21Å; L498-L521 HydrophobicContact CD2-CD1 3.99Å; L498-L524 HydrophobicContact CD2-CB 4.13Å; L498-L524 HydrophobicContact CD2-CD1 4.49Å; L498-A531 HydrophobicContact CD1-CB 3.55Å; L498-A531 HydrophobicContact CD2-CB 3.77Å; L498-A531 HydrophobicContact CG-CB 4.26Å; L498-Y534 HydrophobicContact CD1-CD2 3.79Å; L498-Y534 HydrophobicContact CD1-CG 4.38Å; L498-I535 HydrophobicContact CB-CD1 4.16Å; L498-I535 HydrophobicContact CD2-CG1 4.21Å |
| 499 | E | 97.2 | Very high | 96.1 | Very high | 81 Ų | 81 | 51 Ų | 51 | 38% | 0.379 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.2 | -41.3 | 177.7 | 175.7 | 57.7 | -163.9 | 0 | 0 | 111.8 | Q495 T496 R502 R503 | Q495-E499 WeakPolarHBondContact O-CB 3.14Å; Q495-E499 PolarHBondContact O-N 3.49Å; T496-E499 PolarHBondContact O-N 3.17Å; E499-R502 IonicContact OE1-CZ 2.77Å; E499-R502 IonicContact OE1-NH2 3.84Å; E499-R502 PolarHBondContact OE1-NH2 2.89Å; E499-R502 IonicContact OE2-CZ 3.68Å; E499-R502 VanDerWaalsContact OE2-CZ 3.29Å; E499-R502 IonicContact OE2-NE 3.63Å; E499-R502 PolarHBondContact OE2-NE 3.01Å; E499-R502 IonicContact OE2-NH2 3.68Å; E499-R502 PolarHBondContact OE2-NH2 3.48Å; E499-R503 VanDerWaalsContact O-CB 3.26Å; E499-R503 WeakPolarHBondContact O-CB 3.46Å; E499-R503 PolarHBondContact O-N 3.21Å |
| 500 | L | 98 | Very high | 96.3 | Very high | 18 Ų | 18 | 45.7 Ų | 45.7 | 9% | 0.094 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.1 | -45.1 | -179.7 | -71.8 | 176.1 | 0 | 0 | 0 | 112 | F462 F465 T496 A497 L498 R503 C504 | F462-L500 HydrophobicContact CB-CD1 3.76Å; F462-L500 HydrophobicContact CD1-CD1 4.06Å; F462-L500 HydrophobicContact CG-CD1 3.91Å; F465-L500 HydrophobicContact CB-CB 4.21Å; F465-L500 HydrophobicContact CB-CD1 4.21Å; F465-L500 HydrophobicContact CB-CD2 3.79Å; F465-L500 HydrophobicContact CB-CG 4.29Å; F465-L500 HydrophobicContact CD1-CB 3.64Å; F465-L500 HydrophobicContact CD2-CB 4.13Å; F465-L500 HydrophobicContact CD2-CD1 3.88Å; F465-L500 HydrophobicContact CE1-CB 3.97Å; F465-L500 HydrophobicContact CE2-CB 4.42Å; F465-L500 HydrophobicContact CE2-CD1 4.48Å; F465-L500 HydrophobicContact CG-CB 3.73Å; F465-L500 HydrophobicContact CG-CD1 4.05Å; F465-L500 HydrophobicContact CG-CD2 4.26Å; F465-L500 HydrophobicContact CG-CG 4.23Å; F465-L500 HydrophobicContact CZ-CB 4.37Å; T496-L500 HydrophobicContact CG2-CD1 3.79Å; T496-L500 HydrophobicContact CG2-CG 4.19Å; T496-L500 VanDerWaalsContact O-CB 3.31Å; T496-L500 WeakPolarHBondContact O-CB 3.27Å; T496-L500 WeakPolarHBondContact O-CG 3.35Å; T496-L500 PolarHBondContact O-N 2.83Å; A497-L500 PolarHBondContact O-N 3.43Å; L498-L500 VanDerWaalsContact C-N 3.35Å; L498-L500 PolarHBondContact O-N 3.2Å; L500-R503 PolarHBondContact O-N 2.78Å; L500-C504 PolarHBondContact O-N 3.3Å |
| 501 | T | 97.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.1 | -46 | 176 | 52.4 | 0 | 0 | 0 | 0 | 111.2 | F465 L480 A497 L498 R503 C504 L505 A520 L524 | F465-T501 HydrophobicContact CE1-CG2 4.07Å; F465-T501 HydrophobicContact CZ-CG2 4.09Å; L480-T501 HydrophobicContact CD1-CG2 3.67Å; A497-T501 PolarHBondContact O-N 2.88Å; A497-T501 PolarHBondContact O-OG1 3.4Å; A497-T501 VanDerWaalsContact O-OG1 3.11Å; L498-T501 PolarHBondContact O-OG1 2.8Å; L498-T501 VanDerWaalsContact O-OG1 3.12Å; T501-R503 VanDerWaalsContact C-N 3.32Å; T501-R503 PolarHBondContact O-N 2.88Å; T501-C504 PolarHBondContact O-N 3.4Å; T501-C504 VanDerWaalsContact O-N 3.13Å; T501-L505 PolarHBondContact O-N 3.18Å; T501-A520 HydrophobicContact CG2-CB 4.23Å; T501-L524 HydrophobicContact CG2-CD1 4.14Å |
| 502 | R | 97.6 | Very high | 96.5 | Very high | 26 Ų | 26 | 42.1 Ų | 42.1 | 10% | 0.098 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -56.8 | -42.5 | 175.3 | -173.4 | -166.9 | 69.6 | 70 | -0.4 | 112.5 | L498 E499 L505 I506 L521 I535 V542 | L498-R502 WeakPolarHBondContact O-CB 3.29Å; L498-R502 PolarHBondContact O-N 3.21Å; E499-R502 IonicContact OE1-CZ 2.77Å; E499-R502 IonicContact OE1-NH2 3.84Å; E499-R502 PolarHBondContact OE1-NH2 2.89Å; E499-R502 IonicContact OE2-CZ 3.68Å; E499-R502 VanDerWaalsContact OE2-CZ 3.29Å; E499-R502 IonicContact OE2-NE 3.63Å; E499-R502 PolarHBondContact OE2-NE 3.01Å; E499-R502 IonicContact OE2-NH2 3.68Å; E499-R502 PolarHBondContact OE2-NH2 3.48Å; R502-L505 PolarHBondContact O-N 3.17Å; R502-I506 HydrophobicContact CG-CD1 3.9Å; R502-I506 WeakPolarHBondContact O-CG1 3.28Å; R502-I506 PolarHBondContact O-N 3.48Å; R502-L521 HydrophobicContact CB-CD2 4.42Å; R502-I535 HydrophobicContact CB-CD1 4.39Å; R502-I535 HydrophobicContact CG-CD1 4.47Å; R502-V542 HydrophobicContact CG-CG2 4.07Å |
| 503 | R | 97.3 | Very high | 96.6 | Very high | 89 Ų | 89 | 36.7 Ų | 36.7 | 34% | 0.336 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -65.3 | -41.9 | 176.5 | -169.4 | -175.9 | 77.5 | -177.2 | 3.8 | 111.8 | F465 S466 E499 L500 T501 L505 I506 D507 | F465-R503 PolarHBondContact O-NH2 2.67Å; S466-R503 PolarHBondContact OG-NH2 3.14Å; E499-R503 VanDerWaalsContact O-CB 3.26Å; E499-R503 WeakPolarHBondContact O-CB 3.46Å; E499-R503 PolarHBondContact O-N 3.21Å; L500-R503 PolarHBondContact O-N 2.78Å; T501-R503 VanDerWaalsContact C-N 3.32Å; T501-R503 PolarHBondContact O-N 2.88Å; R503-L505 VanDerWaalsContact C-N 3.32Å; R503-I506 PolarHBondContact O-N 3.46Å; R503-D507 HydrophobicContact CG-CB 4.19Å; R503-D507 WeakPolarHBondContact O-CA 3.15Å; R503-D507 WeakPolarHBondContact O-CB 3.46Å; R503-D507 PolarHBondContact O-N 3.29Å |
| 504 | C | 97.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.007 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.1 | -38 | 175.4 | -85 | 0 | 0 | 0 | 0 | 112.1 | L500 T501 D508 V513 A517 | L500-C504 PolarHBondContact O-N 3.3Å; T501-C504 PolarHBondContact O-N 3.4Å; T501-C504 VanDerWaalsContact O-N 3.13Å; C504-D508 WeakPolarHBondContact O-CB 3.24Å; C504-V513 HydrophobicContact CB-CG1 4.02Å; C504-A517 HydrophobicContact CB-CB 3.67Å |
| 505 | L | 97.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.6 | -48.2 | 175.8 | 176.5 | 58 | 0 | 0 | 0 | 112.4 | T501 R502 R503 A517 A518 L521 V542 A545 L546 I549 | T501-L505 PolarHBondContact O-N 3.18Å; R502-L505 PolarHBondContact O-N 3.17Å; R503-L505 VanDerWaalsContact C-N 3.32Å; L505-A517 HydrophobicContact CB-CB 4.04Å; L505-A518 HydrophobicContact CD1-CB 3.76Å; L505-L521 HydrophobicContact CD2-CD2 3.8Å; L505-V542 HydrophobicContact CD2-CB 4.48Å; L505-V542 HydrophobicContact CD2-CG1 3.84Å; L505-V542 HydrophobicContact CD2-CG2 4.41Å; L505-A545 HydrophobicContact CD1-CB 4.4Å; L505-A545 HydrophobicContact CG-CB 4.17Å; L505-L546 HydrophobicContact CD1-CD2 4.1Å; L505-L546 HydrophobicContact CD2-CD2 4.24Å; L505-L546 HydrophobicContact CD2-CG 4.4Å; L505-I549 HydrophobicContact CD1-CD1 3.4Å; L505-I549 VanDerWaalsContact CD1-CD1 3.4Å |
| 506 | I | 97.2 | Very high | 96.7 | Very high | 41 Ų | 41 | 35.4 Ų | 35.4 | 21% | 0.21 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -86.6 | -48.5 | -170.8 | -61.4 | 172.4 | 0 | 0 | 0 | 111.9 | R502 R503 P541 V542 A545 | R502-I506 HydrophobicContact CG-CD1 3.9Å; R502-I506 WeakPolarHBondContact O-CG1 3.28Å; R502-I506 PolarHBondContact O-N 3.48Å; R503-I506 PolarHBondContact O-N 3.46Å; I506-P541 HydrophobicContact CD1-CB 3.84Å; I506-V542 HydrophobicContact CD1-CG2 4.12Å; I506-A545 HydrophobicContact CG1-CB 4.24Å |
| 507 | D | 95.7 | Very high | 96.8 | Very high | 112 Ų | 112 | 33.5 Ų | 33.5 | 60% | 0.599 | 15% | 0.149 | S | C | * | . | H | α-helix | trans | -104.6 | -10.2 | -163.4 | -60.7 | -42.1 | 0 | 0 | 0 | 114.2 | R503 | R503-D507 HydrophobicContact CG-CB 4.19Å; R503-D507 WeakPolarHBondContact O-CA 3.15Å; R503-D507 WeakPolarHBondContact O-CB 3.46Å; R503-D507 PolarHBondContact O-N 3.29Å |
| 508 | D | 97.1 | Very high | 96.8 | Very high | 22 Ų | 22 | 33.6 Ų | 33.6 | 12% | 0.118 | 15% | 0.15 | C | C | . | . | trans | -66.3 | 156.5 | -179.7 | -149.2 | -64.9 | 0 | 0 | 0 | 111.4 | R473 C504 E510 V513 K514 | R473-D508 IonicContact CZ-OD1 3.88Å; R473-D508 IonicContact CZ-OD2 3.8Å; R473-D508 IonicContact NE-OD1 2.68Å; R473-D508 IonicContact NE-OD2 2.82Å; R473-D508 PolarHBondContact NE-OD2 3.18Å; R473-D508 IonicContact NH2-OD1 2.68Å; R473-D508 PolarHBondContact NH2-OD1 3.44Å; R473-D508 IonicContact NH2-OD2 2.82Å; R473-D508 PolarHBondContact NH2-OD2 2.99Å; C504-D508 WeakPolarHBondContact O-CB 3.24Å; D508-E510 PolarHBondContact OD1-N 3.33Å; D508-V513 HydrophobicContact CB-CB 4.43Å; D508-V513 HydrophobicContact CB-CG1 4.27Å; D508-V513 WeakPolarHBondContact OD2-CG1 3.36Å; D508-K514 HydrophobicContact CB-CG 4.32Å; D508-K514 WeakPolarHBondContact O-CE 3.49Å; D508-K514 PolarHBondContact O-NZ 3.45Å | ||
| 509 | R | 94.2 | Very high | 96.7 | Very high | 188 Ų | 188 | 34.1 Ų | 34.1 | 71% | 0.709 | 15% | 0.153 | S | C | * | . | S | Bend | trans | -98.3 | -18.6 | -178.5 | 74.5 | -166.1 | 174.1 | -174.5 | -5.4 | 112.5 | E468 | E468-R509 PolarHBondContact O-NH2 3.46Š|
| 510 | E | 95.5 | Very high | 96.7 | Very high | 32 Ų | 32 | 30.3 Ų | 30.3 | 15% | 0.15 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -105.3 | 118.7 | -173.4 | -64.1 | 171.2 | -124 | 0 | 0 | 109.2 | W368 G470 R473 D508 P512 V513 K514 | W368-E510 HydrophobicContact CZ2-CB 4.21Å; W368-E510 WeakPolarHBondContact CZ2-OE2 3.39Å; W368-E510 PolarHBondContact NE1-OE2 2.94Å; G470-E510 VanDerWaalsContact CA-OE2 3.26Å; G470-E510 WeakPolarHBondContact CA-OE2 3.2Å; R473-E510 IonicContact CZ-OE1 2.72Å; R473-E510 IonicContact NH1-OE1 2.6Å; R473-E510 IonicContact NH2-OE1 3.93Å; R473-E510 PolarHBondContact NH2-OE1 2.91Å; D508-E510 PolarHBondContact OD1-N 3.33Å; E510-P512 VanDerWaalsContact C-CD 3.48Å; E510-V513 HydrophobicContact CB-CG2 4Å; E510-V513 WeakPolarHBondContact O-CB 3.44Å; E510-V513 PolarHBondContact O-N 2.95Å; E510-V513 VanDerWaalsContact O-N 3.13Å; E510-K514 PolarHBondContact O-N 2.84Å |
| 511 | M | 95.1 | Very high | 96.7 | Very high | 25 Ų | 25 | 29.5 Ų | 29.5 | 12% | 0.123 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.1 | -42.4 | -173 | -165.7 | 62.1 | 74.3 | 0 | 0 | 114.2 | Y373 I376 V513 K514 V515 I549 E552 T553 | Y373-M511 HydrophobicContact CE1-CG 4.25Å; I376-M511 HydrophobicContact CD1-CB 4.16Å; I376-M511 HydrophobicContact CD1-CG 3.8Å; M511-V513 PolarHBondContact O-N 3.18Å; M511-K514 WeakPolarHBondContact O-CA 3.38Å; M511-K514 WeakPolarHBondContact O-CB 3.46Å; M511-K514 PolarHBondContact O-N 3Å; M511-K514 HydrophobicContact SD-CB 4.42Å; M511-K514 HydrophobicContact SD-CD 4.15Å; M511-V515 PolarHBondContact O-N 3.3Å; M511-V515 VanDerWaalsContact O-N 3.14Å; M511-I549 HydrophobicContact SD-CG1 4.11Å; M511-I549 HydrophobicContact SD-CG2 4.03Å; M511-E552 HydrophobicContact CE-CB 4.05Å; M511-E552 HydrophobicContact CE-CG 4.31Å; M511-T553 HydrophobicContact CG-CG2 3.48Å; M511-T553 VanDerWaalsContact CG-CG2 3.48Å; M511-T553 HydrophobicContact SD-CG2 3.99Å |
| 512 | P | 95.5 | Very high | 96.6 | Very high | 4 Ų | 4 | 30 Ų | 30 | 3% | 0.026 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.5 | -28.7 | -179.8 | -20.2 | 30.9 | 0 | 0 | 0 | 112.9 | W368 P372 Y375 I376 E510 E516 | W368-P512 HydrophobicContact CD2-CG 4.37Å; W368-P512 HydrophobicContact CE3-CB 4.11Å; W368-P512 HydrophobicContact CE3-CG 4.06Å; W368-P512 HydrophobicContact CH2-CB 3.55Å; W368-P512 HydrophobicContact CH2-CG 4.01Å; W368-P512 HydrophobicContact CZ2-CB 4.26Å; W368-P512 HydrophobicContact CZ2-CG 4.28Å; W368-P512 HydrophobicContact CZ3-CB 3.46Å; W368-P512 VanDerWaalsContact CZ3-CB 3.46Å; W368-P512 HydrophobicContact CZ3-CG 3.9Å; P372-P512 HydrophobicContact CB-CG 3.95Å; Y375-P512 HydrophobicContact CD1-CB 3.99Å; Y375-P512 HydrophobicContact CD1-CG 4.11Å; Y375-P512 HydrophobicContact CE1-CB 4.26Å; I376-P512 HydrophobicContact CD1-CB 4.35Å; I376-P512 HydrophobicContact CD1-CG 4.1Å; I376-P512 HydrophobicContact CG1-CB 3.95Å; I376-P512 HydrophobicContact CG1-CG 3.99Å; E510-P512 VanDerWaalsContact C-CD 3.48Å; P512-E516 WeakPolarHBondContact O-CG 3.46Å; P512-E516 PolarHBondContact O-N 3.26Å |
| 513 | V | 97.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -68 | -37.7 | 174.1 | -175.1 | 0 | 0 | 0 | 0 | 111 | W368 G470 R473 A474 C504 D508 E510 M511 A517 | W368-V513 HydrophobicContact CH2-CG2 3.93Å; W368-V513 HydrophobicContact CZ2-CG2 3.92Å; G470-V513 WeakPolarHBondContact O-CG2 3.29Å; R473-V513 HydrophobicContact CB-CG1 3.78Å; R473-V513 HydrophobicContact CB-CG2 4.27Å; A474-V513 HydrophobicContact CB-CG2 4.14Å; C504-V513 HydrophobicContact CB-CG1 4.02Å; D508-V513 HydrophobicContact CB-CB 4.43Å; D508-V513 HydrophobicContact CB-CG1 4.27Å; D508-V513 WeakPolarHBondContact OD2-CG1 3.36Å; E510-V513 HydrophobicContact CB-CG2 4Å; E510-V513 WeakPolarHBondContact O-CB 3.44Å; E510-V513 PolarHBondContact O-N 2.95Å; E510-V513 VanDerWaalsContact O-N 3.13Å; M511-V513 PolarHBondContact O-N 3.18Å; V513-A517 WeakPolarHBondContact O-CB 3.31Å; V513-A517 PolarHBondContact O-N 3.35Å |
| 514 | K | 97.5 | Very high | 96.4 | Very high | 32 Ų | 32 | 25.6 Ų | 25.6 | 14% | 0.139 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.6 | -41.4 | 178.5 | -62.5 | -168.3 | 175.4 | -167.7 | 0 | 112.1 | D508 E510 M511 A517 A518 I549 | D508-K514 HydrophobicContact CB-CG 4.32Å; D508-K514 WeakPolarHBondContact O-CE 3.49Å; D508-K514 PolarHBondContact O-NZ 3.45Å; E510-K514 PolarHBondContact O-N 2.84Å; M511-K514 WeakPolarHBondContact O-CA 3.38Å; M511-K514 WeakPolarHBondContact O-CB 3.46Å; M511-K514 PolarHBondContact O-N 3Å; M511-K514 HydrophobicContact SD-CB 4.42Å; M511-K514 HydrophobicContact SD-CD 4.15Å; K514-A517 PolarHBondContact O-N 3.22Å; K514-A518 WeakPolarHBondContact O-CB 3.32Å; K514-A518 PolarHBondContact O-N 3.25Å; K514-I549 HydrophobicContact CB-CD1 3.73Å; K514-I549 HydrophobicContact CB-CG1 4.24Å; K514-I549 HydrophobicContact CD-CD1 4.32Å; K514-I549 HydrophobicContact CD-CG1 4.32Å |
| 515 | V | 95.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.9 | -51.6 | 177.5 | 179.1 | 0 | 0 | 0 | 0 | 110.4 | I376 F380 M511 A517 A518 I519 I549 T553 L558 | I376-V515 HydrophobicContact CD1-CG2 3.86Å; I376-V515 HydrophobicContact CG1-CG2 4.31Å; I376-V515 HydrophobicContact CG2-CG1 4.39Å; I376-V515 HydrophobicContact CG2-CG2 4.29Å; F380-V515 HydrophobicContact CD2-CG1 4.36Å; F380-V515 HydrophobicContact CE2-CG1 3.62Å; F380-V515 HydrophobicContact CZ-CG1 3.76Å; M511-V515 PolarHBondContact O-N 3.3Å; M511-V515 VanDerWaalsContact O-N 3.14Å; V515-A517 VanDerWaalsContact C-N 3.27Å; V515-A517 PolarHBondContact O-N 2.75Å; V515-A518 WeakPolarHBondContact O-CB 3.44Å; V515-A518 PolarHBondContact O-N 3.39Å; V515-A518 VanDerWaalsContact O-N 3.11Å; V515-I519 HydrophobicContact CG1-CD1 4.31Å; V515-I519 PolarHBondContact O-N 3.26Å; V515-I549 HydrophobicContact CG2-CG2 3.81Å; V515-T553 HydrophobicContact CG2-CG2 4.14Å; V515-L558 HydrophobicContact CG1-CD2 4.35Å; V515-L558 HydrophobicContact CG2-CD1 4.37Å |
| 516 | E | 96.4 | Very high | 96 | Very high | 28 Ų | 28 | 27.7 Ų | 27.7 | 13% | 0.131 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.6 | -37.5 | 176.9 | -73.7 | -75.9 | -169.8 | 0 | 0 | 112.5 | A474 C477 P512 A520 | A474-E516 HydrophobicContact CB-CB 4.48Å; A474-E516 HydrophobicContact CB-CG 4.2Å; C477-E516 HydrophobicContact CB-CB 3.84Å; P512-E516 WeakPolarHBondContact O-CG 3.46Å; P512-E516 PolarHBondContact O-N 3.26Å; E516-A520 WeakPolarHBondContact O-CB 3.33Å; E516-A520 PolarHBondContact O-N 2.9Å |
| 517 | A | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -68.6 | -35.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | C504 L505 V513 K514 V515 L521 | C504-A517 HydrophobicContact CB-CB 3.67Å; L505-A517 HydrophobicContact CB-CB 4.04Å; V513-A517 WeakPolarHBondContact O-CB 3.31Å; V513-A517 PolarHBondContact O-N 3.35Å; K514-A517 PolarHBondContact O-N 3.22Å; V515-A517 VanDerWaalsContact C-N 3.27Å; V515-A517 PolarHBondContact O-N 2.75Å; A517-L521 WeakPolarHBondContact O-CB 3.43Å; A517-L521 PolarHBondContact O-N 3.42Å |
| 518 | A | 97.2 | Very high | 95.6 | Very high | 2 Ų | 2 | 25.2 Ų | 25.2 | 2% | 0.017 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.6 | -52.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | L505 K514 V515 L521 Q522 L546 L558 | L505-A518 HydrophobicContact CD1-CB 3.76Å; K514-A518 WeakPolarHBondContact O-CB 3.32Å; K514-A518 PolarHBondContact O-N 3.25Å; V515-A518 WeakPolarHBondContact O-CB 3.44Å; V515-A518 PolarHBondContact O-N 3.39Å; V515-A518 VanDerWaalsContact O-N 3.11Å; A518-L521 PolarHBondContact O-N 2.86Å; A518-Q522 PolarHBondContact O-N 3.13Å; A518-L546 HydrophobicContact CB-CD2 3.41Å; A518-L546 VanDerWaalsContact CB-CD2 3.41Å; A518-L558 HydrophobicContact CB-CD2 3.56Å |
| 519 | I | 96 | Very high | 95.2 | Very high | 15 Ų | 15 | 30.6 Ų | 30.6 | 8% | 0.077 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.1 | -49.7 | -180 | -61.2 | 170.2 | 0 | 0 | 0 | 109.8 | F380 V515 L521 Q522 V523 L558 V561 | F380-I519 HydrophobicContact CD1-CD1 4.2Å; F380-I519 HydrophobicContact CE1-CD1 3.25Å; F380-I519 HydrophobicContact CZ-CD1 3.63Å; V515-I519 HydrophobicContact CG1-CD1 4.31Å; V515-I519 PolarHBondContact O-N 3.26Å; I519-L521 VanDerWaalsContact C-N 3.32Å; I519-L521 PolarHBondContact O-N 3.19Å; I519-Q522 PolarHBondContact O-N 3.1Å; I519-V523 HydrophobicContact CG2-CG2 4.36Å; I519-V523 WeakPolarHBondContact O-CG2 3.14Å; I519-V523 PolarHBondContact O-N 3.46Å; I519-L558 HydrophobicContact CG1-CD2 4.48Å; I519-V561 HydrophobicContact CG1-CG2 4.01Å |
| 520 | A | 96.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60 | -39.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | C477 H481 T501 E516 L524 | C477-A520 HydrophobicContact CB-CB 4.22Å; C477-A520 VanDerWaalsContact O-CB 3.28Å; C477-A520 WeakPolarHBondContact O-CB 3.34Å; H481-A520 HydrophobicContact CB-CB 3.96Å; T501-A520 HydrophobicContact CG2-CB 4.23Å; E516-A520 WeakPolarHBondContact O-CB 3.33Å; E516-A520 PolarHBondContact O-N 2.9Å; A520-L524 VanDerWaalsContact O-CB 3.31Å; A520-L524 WeakPolarHBondContact O-CB 3.19Å; A520-L524 WeakPolarHBondContact O-CD1 3.49Å; A520-L524 WeakPolarHBondContact O-CG 3.4Å; A520-L524 PolarHBondContact O-N 3.28Å |
| 521 | L | 97.4 | Very high | 95 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.1 | -46.2 | 178.3 | 179.6 | 62.1 | 0 | 0 | 0 | 111.6 | L498 R502 L505 A517 A518 I519 L524 I525 I535 V542 | L498-L521 HydrophobicContact CD2-CD1 3.99Å; R502-L521 HydrophobicContact CB-CD2 4.42Å; L505-L521 HydrophobicContact CD2-CD2 3.8Å; A517-L521 WeakPolarHBondContact O-CB 3.43Å; A517-L521 PolarHBondContact O-N 3.42Å; A518-L521 PolarHBondContact O-N 2.86Å; I519-L521 VanDerWaalsContact C-N 3.32Å; I519-L521 PolarHBondContact O-N 3.19Å; L521-L524 PolarHBondContact O-N 3.42Å; L521-I525 HydrophobicContact CD1-CD1 4Å; L521-I525 HydrophobicContact CD1-CG1 4.41Å; L521-I525 HydrophobicContact CG-CD1 3.88Å; L521-I525 WeakPolarHBondContact O-CD1 3.02Å; L521-I525 VanDerWaalsContact O-CG1 3.28Å; L521-I525 WeakPolarHBondContact O-CG1 3.14Å; L521-I525 PolarHBondContact O-N 3.46Å; L521-I535 HydrophobicContact CD1-CD1 3.9Å; L521-I535 HydrophobicContact CD1-CG1 4.2Å; L521-V542 HydrophobicContact CD2-CG1 4.08Å; L521-V542 HydrophobicContact CD2-CG2 4.1Å |
| 522 | Q | 96.2 | Very high | 94.8 | Very high | 10 Ų | 10 | 25.6 Ų | 25.6 | 5% | 0.047 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.8 | -47.4 | 179.9 | 177.3 | -81.5 | -55.8 | 0 | 0 | 111.5 | A518 I519 L524 I525 S526 V561 K564 M565 | A518-Q522 PolarHBondContact O-N 3.13Å; I519-Q522 PolarHBondContact O-N 3.1Å; Q522-L524 VanDerWaalsContact C-N 3.31Å; Q522-L524 PolarHBondContact O-N 3.01Å; Q522-I525 WeakPolarHBondContact O-CB 3.21Å; Q522-I525 PolarHBondContact O-N 2.9Å; Q522-I525 VanDerWaalsContact O-N 3.09Å; Q522-S526 PolarHBondContact NE2-OG 3.2Å; Q522-S526 PolarHBondContact O-N 2.89Å; Q522-S526 PolarHBondContact O-OG 2.74Å; Q522-V561 HydrophobicContact CB-CB 4.45Å; Q522-V561 HydrophobicContact CB-CG1 3.75Å; Q522-V561 HydrophobicContact CB-CG2 4.34Å; Q522-V561 HydrophobicContact CG-CB 4.45Å; Q522-V561 HydrophobicContact CG-CG1 4.12Å; Q522-V561 HydrophobicContact CG-CG2 4.5Å; Q522-K564 HydrophobicContact CG-CB 3.99Å; Q522-M565 HydrophobicContact CB-CG 4.3Å; Q522-M565 HydrophobicContact CB-SD 4.16Å; Q522-M565 HydrophobicContact CG-CG 4.08Å; Q522-M565 HydrophobicContact CG-SD 4.22Å |
| 523 | V | 95 | Very high | 94.7 | Very high | 22 Ų | 22 | 32.3 Ų | 32.3 | 13% | 0.133 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.2 | -35.3 | -179.3 | -175.8 | 0 | 0 | 0 | 0 | 111.3 | C484 I519 I525 N527 | C484-V523 HydrophobicContact CB-CB 4.38Å; C484-V523 HydrophobicContact CB-CG1 3.6Å; C484-V523 WeakPolarHBondContact SG-CG1 3.27Å; I519-V523 HydrophobicContact CG2-CG2 4.36Å; I519-V523 WeakPolarHBondContact O-CG2 3.14Å; I519-V523 PolarHBondContact O-N 3.46Å; V523-I525 VanDerWaalsContact C-N 3.34Å; V523-I525 PolarHBondContact O-N 2.79Å; V523-N527 WeakPolarHBondContact CG1-ND2 3.05Å; V523-N527 WeakPolarHBondContact O-CB 3.31Å; V523-N527 PolarHBondContact O-N 2.64Å; V523-N527 VanDerWaalsContact O-N 3.14Å; V523-N527 PolarHBondContact O-ND2 2.94Å |
| 524 | L | 95.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.2 | -39.4 | 171.4 | -80.6 | 169.4 | 0 | 0 | 0 | 112.6 | L480 C484 F488 L498 T501 A520 L521 Q522 Q528 | L480-L524 HydrophobicContact CB-CD1 4.36Å; C484-L524 HydrophobicContact CB-CD2 4.29Å; F488-L524 HydrophobicContact CE2-CD2 4.5Å; L498-L524 HydrophobicContact CD2-CB 4.13Å; L498-L524 HydrophobicContact CD2-CD1 4.49Å; T501-L524 HydrophobicContact CG2-CD1 4.14Å; A520-L524 VanDerWaalsContact O-CB 3.31Å; A520-L524 WeakPolarHBondContact O-CB 3.19Å; A520-L524 WeakPolarHBondContact O-CD1 3.49Å; A520-L524 WeakPolarHBondContact O-CG 3.4Å; A520-L524 PolarHBondContact O-N 3.28Å; L521-L524 PolarHBondContact O-N 3.42Å; Q522-L524 VanDerWaalsContact C-N 3.31Å; Q522-L524 PolarHBondContact O-N 3.01Å; L524-Q528 WeakPolarHBondContact O-CB 3.33Å; L524-Q528 VanDerWaalsContact O-CG 3.31Å; L524-Q528 WeakPolarHBondContact O-CG 3.19Å; L524-Q528 PolarHBondContact O-N 2.71Å; L524-Q528 VanDerWaalsContact O-N 3.15Å |
| 525 | I | 95 | Very high | 94.3 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.1 | -47.6 | 178.7 | -71.6 | 162.2 | 0 | 0 | 0 | 110.7 | L521 Q522 V523 N527 Q528 A531 K532 I535 M565 E568 Y569 | L521-I525 HydrophobicContact CD1-CD1 4Å; L521-I525 HydrophobicContact CD1-CG1 4.41Å; L521-I525 HydrophobicContact CG-CD1 3.88Å; L521-I525 WeakPolarHBondContact O-CD1 3.02Å; L521-I525 VanDerWaalsContact O-CG1 3.28Å; L521-I525 WeakPolarHBondContact O-CG1 3.14Å; L521-I525 PolarHBondContact O-N 3.46Å; Q522-I525 WeakPolarHBondContact O-CB 3.21Å; Q522-I525 PolarHBondContact O-N 2.9Å; Q522-I525 VanDerWaalsContact O-N 3.09Å; V523-I525 VanDerWaalsContact C-N 3.34Å; V523-I525 PolarHBondContact O-N 2.79Å; I525-N527 VanDerWaalsContact C-N 3.28Å; I525-N527 PolarHBondContact O-N 2.81Å; I525-Q528 PolarHBondContact O-N 3.06Å; I525-A531 HydrophobicContact CG1-CB 4.38Å; I525-K532 HydrophobicContact CG2-CG 4.11Å; I525-I535 HydrophobicContact CD1-CB 4.33Å; I525-I535 HydrophobicContact CD1-CG1 4.18Å; I525-I535 HydrophobicContact CD1-CG2 3.98Å; I525-I535 HydrophobicContact CG1-CG1 4.33Å; I525-M565 HydrophobicContact CD1-CE 3.69Å; I525-M565 HydrophobicContact CD1-SD 3.57Å; I525-M565 VanDerWaalsContact CD1-SD 3.57Å; I525-E568 HydrophobicContact CG2-CB 4.5Å; I525-Y569 HydrophobicContact CD1-CE2 4.14Å; I525-Y569 HydrophobicContact CG2-CE2 3.81Å; I525-Y569 WeakPolarHBondContact CG2-OH 3.3Å |
| 526 | S | 93.1 | Very high | 94.3 | Very high | 46 Ų | 46 | 36 Ų | 36 | 32% | 0.322 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -66.1 | -29 | -178.5 | -62.7 | 0 | 0 | 0 | 0 | 113.2 | Q522 | Q522-S526 PolarHBondContact NE2-OG 3.2Å; Q522-S526 PolarHBondContact O-N 2.89Å; Q522-S526 PolarHBondContact O-OG 2.74Å |
| 527 | N | 92.4 | Very high | 94.2 | Very high | 72 Ų | 72 | 39.3 Ų | 39.3 | 39% | 0.385 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -96.3 | -5.6 | -178.9 | -74.1 | -82.1 | 0 | 0 | 0 | 114.5 | C484 V523 I525 | C484-N527 HydrophobicContact CB-CB 4.38Å; V523-N527 WeakPolarHBondContact CG1-ND2 3.05Å; V523-N527 WeakPolarHBondContact O-CB 3.31Å; V523-N527 PolarHBondContact O-N 2.64Å; V523-N527 VanDerWaalsContact O-N 3.14Å; V523-N527 PolarHBondContact O-ND2 2.94Å; I525-N527 VanDerWaalsContact C-N 3.28Å; I525-N527 PolarHBondContact O-N 2.81Å |
| 528 | Q | 91.8 | Very high | 94.1 | Very high | 29 Ų | 29 | 42.8 Ų | 42.8 | 14% | 0.136 | 22% | 0.216 | C | C | . | . | trans | -134.4 | 100.6 | -175 | -56.9 | -73.2 | -30.7 | 0 | 0 | 110.6 | C484 V486 L494 L524 I525 K530 A531 | C484-Q528 PolarHBondContact O-NE2 2.89Å; V486-Q528 PolarHBondContact O-NE2 2.89Å; L494-Q528 HydrophobicContact CD1-CB 4.24Å; L494-Q528 HydrophobicContact CD1-CG 4.12Å; L494-Q528 HydrophobicContact CD2-CB 4.42Å; L524-Q528 WeakPolarHBondContact O-CB 3.33Å; L524-Q528 VanDerWaalsContact O-CG 3.31Å; L524-Q528 WeakPolarHBondContact O-CG 3.19Å; L524-Q528 PolarHBondContact O-N 2.71Å; L524-Q528 VanDerWaalsContact O-N 3.15Å; I525-Q528 PolarHBondContact O-N 3.06Å; Q528-K530 VanDerWaalsContact C-N 3.29Å; Q528-K530 PolarHBondContact O-N 2.86Å; Q528-K530 VanDerWaalsContact O-N 3.15Å; Q528-A531 HydrophobicContact CB-CB 3.88Å; Q528-A531 WeakPolarHBondContact O-CA 3.36Å; Q528-A531 WeakPolarHBondContact O-CB 3.4Å; Q528-A531 PolarHBondContact O-N 3.41Å | ||
| 529 | E | 88.9 | Confident | 94 | Very high | 136 Ų | 136 | 43 Ų | 43 | 64% | 0.636 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -55.1 | -41.4 | -175.6 | -171.9 | 57 | -157.4 | 0 | 0 | 113.6 | A531 K532 | E529-A531 PolarHBondContact O-N 2.9Å; E529-K532 WeakPolarHBondContact O-CB 3.45Å; E529-K532 PolarHBondContact O-N 3.12Å; E529-K532 VanDerWaalsContact OE2-CE 3.25Å; E529-K532 WeakPolarHBondContact OE2-CE 3.17Å; E529-K532 IonicContact OE2-NZ 3.72Å; E529-K532 PolarHBondContact OE2-NZ 2.99Å; E529-K532 VanDerWaalsContact OE2-NZ 3.07Å |
| 530 | K | 91.7 | Very high | 93.9 | Very high | 96 Ų | 96 | 48.1 Ų | 48.1 | 42% | 0.417 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.2 | -20.3 | 176.1 | -68.1 | -172.7 | -177.8 | -179 | 0 | 113.9 | D491 L494 Q528 K532 Y534 | D491-K530 IonicContact OD1-NZ 3.2Å; D491-K530 PolarHBondContact OD1-NZ 3.27Å; D491-K530 IonicContact OD2-NZ 3.32Å; D491-K530 PolarHBondContact OD2-NZ 2.95Å; L494-K530 HydrophobicContact CD2-CB 3.96Å; Q528-K530 VanDerWaalsContact C-N 3.29Å; Q528-K530 PolarHBondContact O-N 2.86Å; Q528-K530 VanDerWaalsContact O-N 3.15Å; K530-K532 PolarHBondContact O-N 3.5Å; K530-Y534 HydrophobicContact CB-CE2 4.2Å; K530-Y534 WeakPolarHBondContact O-CD2 3.45Å |
| 531 | A | 92.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.6 | -31.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L498 I525 Q528 E529 E533 Y534 I535 | L498-A531 HydrophobicContact CD1-CB 3.55Å; L498-A531 HydrophobicContact CD2-CB 3.77Å; L498-A531 HydrophobicContact CG-CB 4.26Å; I525-A531 HydrophobicContact CG1-CB 4.38Å; Q528-A531 HydrophobicContact CB-CB 3.88Å; Q528-A531 WeakPolarHBondContact O-CA 3.36Å; Q528-A531 WeakPolarHBondContact O-CB 3.4Å; Q528-A531 PolarHBondContact O-N 3.41Å; E529-A531 PolarHBondContact O-N 2.9Å; A531-E533 PolarHBondContact O-N 3Å; A531-Y534 PolarHBondContact O-N 3.36Å; A531-I535 PolarHBondContact O-N 2.92Å; A531-I535 VanDerWaalsContact O-N 3.09Å |
| 532 | K | 92.3 | Very high | 93.9 | Very high | 44 Ų | 44 | 50.5 Ų | 50.5 | 19% | 0.191 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -55 | -53.9 | 177.8 | -58.7 | -177.7 | -169.6 | -176.8 | 0 | 110.7 | I525 E529 K530 Y534 I535 T536 E568 Y569 | I525-K532 HydrophobicContact CG2-CG 4.11Å; E529-K532 WeakPolarHBondContact O-CB 3.45Å; E529-K532 PolarHBondContact O-N 3.12Å; E529-K532 VanDerWaalsContact OE2-CE 3.25Å; E529-K532 WeakPolarHBondContact OE2-CE 3.17Å; E529-K532 IonicContact OE2-NZ 3.72Å; E529-K532 PolarHBondContact OE2-NZ 2.99Å; E529-K532 VanDerWaalsContact OE2-NZ 3.07Å; K530-K532 PolarHBondContact O-N 3.5Å; K532-Y534 VanDerWaalsContact C-N 3.29Å; K532-Y534 PolarHBondContact O-N 3.47Å; K532-I535 PolarHBondContact O-N 3.01Å; K532-T536 PolarHBondContact O-N 3.37Å; K532-T536 PolarHBondContact O-OG1 2.9Å; K532-E568 WeakPolarHBondContact CE-OE2 3.46Å; K532-E568 IonicContact NZ-OE1 2.75Å; K532-E568 IonicContact NZ-OE2 3.67Å; K532-E568 PolarHBondContact NZ-OE2 2.94Å; K532-Y569 WeakPolarHBondContact CA-OH 3.48Å; K532-Y569 HydrophobicContact CB-CE1 4.41Å |
| 533 | E | 92.4 | Very high | 93.8 | Very high | 144 Ų | 144 | 50.1 Ų | 50.1 | 67% | 0.673 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -57.3 | -37.1 | 178.4 | -61.6 | -176.4 | -176 | 0 | 0 | 113.8 | A531 | A531-E533 PolarHBondContact O-N 3Å |
| 534 | Y | 92.8 | Very high | 93.8 | Very high | 61 Ų | 61 | 53 Ų | 53 | 24% | 0.239 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -76.8 | -30.8 | -177.3 | -64.4 | -43.8 | 0 | 0 | 0 | 113.4 | L494 Q495 L498 K530 A531 K532 | L494-Y534 HydrophobicContact CD2-CE2 4.26Å; Q495-Y534 HydrophobicContact CG-CD1 3.94Å; Q495-Y534 HydrophobicContact CG-CD2 3.76Å; Q495-Y534 HydrophobicContact CG-CE1 3.73Å; Q495-Y534 HydrophobicContact CG-CE2 3.53Å; Q495-Y534 HydrophobicContact CG-CG 3.96Å; Q495-Y534 PolarHBondContact NE2-OH 2.99Å; L498-Y534 HydrophobicContact CD1-CD2 3.79Å; L498-Y534 HydrophobicContact CD1-CG 4.38Å; K530-Y534 HydrophobicContact CB-CE2 4.2Å; K530-Y534 WeakPolarHBondContact O-CD2 3.45Å; A531-Y534 PolarHBondContact O-N 3.36Å; K532-Y534 VanDerWaalsContact C-N 3.29Å; K532-Y534 PolarHBondContact O-N 3.47Å |
| 535 | I | 94.9 | Very high | 93.9 | Very high | 4 Ų | 4 | 53.7 Ų | 53.7 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -90.8 | -23.8 | -177.6 | -67.7 | -63.1 | 0 | 0 | 0 | 112.4 | L498 R502 L521 I525 A531 K532 P537 F538 I539 Y569 | L498-I535 HydrophobicContact CB-CD1 4.16Å; L498-I535 HydrophobicContact CD2-CG1 4.21Å; R502-I535 HydrophobicContact CB-CD1 4.39Å; R502-I535 HydrophobicContact CG-CD1 4.47Å; L521-I535 HydrophobicContact CD1-CD1 3.9Å; L521-I535 HydrophobicContact CD1-CG1 4.2Å; I525-I535 HydrophobicContact CD1-CB 4.33Å; I525-I535 HydrophobicContact CD1-CG1 4.18Å; I525-I535 HydrophobicContact CD1-CG2 3.98Å; I525-I535 HydrophobicContact CG1-CG1 4.33Å; A531-I535 PolarHBondContact O-N 2.92Å; A531-I535 VanDerWaalsContact O-N 3.09Å; K532-I535 PolarHBondContact O-N 3.01Å; I535-P537 VanDerWaalsContact C-N 3.29Å; I535-P537 WeakPolarHBondContact O-CD 3.46Å; I535-F538 CarbonylContact O-C 3.57Å; I535-F538 WeakPolarHBondContact O-CA 3.43Å; I535-F538 PolarHBondContact O-N 3.07Å; I535-I539 PolarHBondContact O-N 3.45Å; I535-Y569 WeakPolarHBondContact CB-OH 3.4Å |
| 536 | T | 94.8 | Very high | 94 | Very high | 46 Ų | 46 | 53.8 Ų | 53.8 | 28% | 0.282 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -39.1 | -47.9 | 176.9 | -62.6 | 0 | 0 | 0 | 0 | 114.3 | K532 F538 I539 E572 | K532-T536 PolarHBondContact O-N 3.37Å; K532-T536 PolarHBondContact O-OG1 2.9Å; T536-F538 PolarHBondContact O-N 2.95Å; T536-F538 VanDerWaalsContact O-N 3.12Å; T536-I539 VanDerWaalsContact O-CG2 3.24Å; T536-I539 WeakPolarHBondContact O-CG2 3.36Å; T536-I539 PolarHBondContact O-N 3.48Å; T536-E572 HydrophobicContact CG2-CG 4.05Å; T536-E572 VanDerWaalsContact CG2-OE1 3.23Å; T536-E572 WeakPolarHBondContact CG2-OE1 3.29Å |
| 537 | P | 94.2 | Very high | 94.1 | Very high | 96 Ų | 96 | 52 Ų | 52 | 62% | 0.623 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -67.2 | -16.1 | -178.6 | -19.1 | 33.7 | 0 | 0 | 0 | 114.9 | I535 | I535-P537 VanDerWaalsContact C-N 3.29Å; I535-P537 WeakPolarHBondContact O-CD 3.46Å |
| 538 | F | 95.5 | Very high | 94.2 | Very high | 74 Ų | 74 | 51.8 Ų | 51.8 | 33% | 0.325 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | -114.2 | 1.8 | -173.4 | -54.6 | -79 | 0 | 0 | 0 | 113.4 | I535 T536 R540 P541 V542 | I535-F538 CarbonylContact O-C 3.57Å; I535-F538 WeakPolarHBondContact O-CA 3.43Å; I535-F538 PolarHBondContact O-N 3.07Å; T536-F538 PolarHBondContact O-N 2.95Å; T536-F538 VanDerWaalsContact O-N 3.12Å; F538-R540 VanDerWaalsContact C-N 3.32Å; F538-R540 PolarHBondContact O-N 3.27Å; F538-P541 WeakPolarHBondContact O-CD 3.31Å; F538-V542 WeakPolarHBondContact O-CG2 3.28Å; F538-V542 PolarHBondContact O-N 3.34Å |
| 539 | I | 94.6 | Very high | 94.3 | Very high | 7 Ų | 7 | 50.4 Ų | 50.4 | 4% | 0.036 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56 | -44.3 | -175.8 | -171.2 | 58.7 | 0 | 0 | 0 | 112.2 | I535 T536 V542 M543 M565 Y569 E572 V573 | I535-I539 PolarHBondContact O-N 3.45Å; T536-I539 VanDerWaalsContact O-CG2 3.24Å; T536-I539 WeakPolarHBondContact O-CG2 3.36Å; T536-I539 PolarHBondContact O-N 3.48Å; I539-V542 WeakPolarHBondContact O-CB 3.42Å; I539-V542 PolarHBondContact O-N 3.07Å; I539-V542 VanDerWaalsContact O-N 3.14Å; I539-M543 HydrophobicContact CD1-CG 4.1Å; I539-M543 HydrophobicContact CD1-SD 4.06Å; I539-M543 HydrophobicContact CG1-CG 4.2Å; I539-M543 WeakPolarHBondContact O-CG 3.38Å; I539-M543 PolarHBondContact O-N 2.81Å; I539-M565 HydrophobicContact CD1-CE 3.47Å; I539-M565 VanDerWaalsContact CD1-CE 3.47Å; I539-Y569 HydrophobicContact CD1-CD1 4.38Å; I539-Y569 HydrophobicContact CD1-CD2 3.46Å; I539-Y569 VanDerWaalsContact CD1-CD2 3.46Å; I539-Y569 HydrophobicContact CD1-CE2 3.93Å; I539-Y569 HydrophobicContact CD1-CG 3.71Å; I539-Y569 HydrophobicContact CG1-CD1 4.41Å; I539-Y569 HydrophobicContact CG1-CD2 4.21Å; I539-Y569 HydrophobicContact CG1-CG 3.93Å; I539-E572 HydrophobicContact CG2-CB 3.55Å; I539-E572 HydrophobicContact CG2-CG 4.2Å; I539-V573 HydrophobicContact CG1-CG2 4.45Å |
| 540 | R | 94.8 | Very high | 94.5 | Very high | 121 Ų | 121 | 44 Ų | 44 | 46% | 0.457 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.9 | -53 | 178.6 | 176.5 | 176.8 | -167.4 | 175.9 | 11.1 | 113.1 | F538 V542 M543 Q544 I576 E579 | F538-R540 VanDerWaalsContact C-N 3.32Å; F538-R540 PolarHBondContact O-N 3.27Å; R540-V542 VanDerWaalsContact C-N 3.27Å; R540-V542 PolarHBondContact O-N 3.1Å; R540-M543 PolarHBondContact O-N 3.13Å; R540-Q544 WeakPolarHBondContact O-CG 3.21Å; R540-Q544 PolarHBondContact O-N 3.01Å; R540-I576 HydrophobicContact CB-CD1 4.25Å; R540-I576 HydrophobicContact CG-CD1 4.23Å; R540-I576 HydrophobicContact CG-CG2 4.15Å; R540-E579 IonicContact CZ-OE2 3.74Å; R540-E579 IonicContact NH2-OE2 3.05Å; R540-E579 PolarHBondContact NH2-OE2 3.11Å |
| 541 | P | 95.9 | Very high | 94.4 | Very high | 52 Ų | 52 | 43.5 Ų | 43.5 | 34% | 0.338 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -55.1 | -38.6 | 171.6 | -28.3 | 31.5 | 0 | 0 | 0 | 114.4 | I506 F538 A545 | I506-P541 HydrophobicContact CD1-CB 3.84Å; F538-P541 WeakPolarHBondContact O-CD 3.31Å; P541-A545 WeakPolarHBondContact O-CB 3.48Å; P541-A545 PolarHBondContact O-N 2.91Å |
| 542 | V | 97 | Very high | 94.3 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.4 | -51.9 | 177.4 | 166.7 | 0 | 0 | 0 | 0 | 110.5 | R502 L505 I506 L521 F538 I539 R540 Q544 A545 L546 M565 | R502-V542 HydrophobicContact CG-CG2 4.07Å; L505-V542 HydrophobicContact CD2-CB 4.48Å; L505-V542 HydrophobicContact CD2-CG1 3.84Å; L505-V542 HydrophobicContact CD2-CG2 4.41Å; I506-V542 HydrophobicContact CD1-CG2 4.12Å; L521-V542 HydrophobicContact CD2-CG1 4.08Å; L521-V542 HydrophobicContact CD2-CG2 4.1Å; F538-V542 WeakPolarHBondContact O-CG2 3.28Å; F538-V542 PolarHBondContact O-N 3.34Å; I539-V542 WeakPolarHBondContact O-CB 3.42Å; I539-V542 PolarHBondContact O-N 3.07Å; I539-V542 VanDerWaalsContact O-N 3.14Å; R540-V542 VanDerWaalsContact C-N 3.27Å; R540-V542 PolarHBondContact O-N 3.1Å; V542-Q544 VanDerWaalsContact C-N 3.32Å; V542-Q544 PolarHBondContact O-N 3.36Å; V542-A545 WeakPolarHBondContact O-CB 3.47Å; V542-A545 PolarHBondContact O-N 2.95Å; V542-A545 VanDerWaalsContact O-N 3.1Å; V542-L546 HydrophobicContact CG1-CD1 3.96Å; V542-L546 HydrophobicContact CG1-CG 4.43Å; V542-L546 WeakPolarHBondContact O-CG 3.47Å; V542-L546 PolarHBondContact O-N 3.23Å; V542-M565 HydrophobicContact CG1-CE 3.93Å |
| 543 | M | 95.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.1 | -39.6 | 178.5 | -61.4 | -48.1 | -80 | 0 | 0 | 112.1 | I539 R540 A545 L546 L547 I562 M565 I566 V573 I576 M580 | I539-M543 HydrophobicContact CD1-CG 4.1Å; I539-M543 HydrophobicContact CD1-SD 4.06Å; I539-M543 HydrophobicContact CG1-CG 4.2Å; I539-M543 WeakPolarHBondContact O-CG 3.38Å; I539-M543 PolarHBondContact O-N 2.81Å; R540-M543 PolarHBondContact O-N 3.13Å; M543-A545 VanDerWaalsContact C-N 3.34Å; M543-A545 PolarHBondContact O-N 3.48Å; M543-L546 PolarHBondContact O-N 3.39Å; M543-L546 HydrophobicContact SD-CD1 3.98Å; M543-L547 WeakPolarHBondContact O-CB 3.27Å; M543-L547 VanDerWaalsContact O-CG 3.29Å; M543-L547 WeakPolarHBondContact O-CG 3.47Å; M543-L547 PolarHBondContact O-N 3.13Å; M543-I562 HydrophobicContact CE-CG2 3.79Å; M543-M565 HydrophobicContact CE-CB 4.08Å; M543-M565 HydrophobicContact SD-CB 3.79Å; M543-I566 HydrophobicContact CE-CG1 3.9Å; M543-V573 HydrophobicContact CG-CG2 4.46Å; M543-I576 HydrophobicContact CB-CD1 4.2Å; M543-I576 HydrophobicContact CG-CD1 4.34Å; M543-M580 HydrophobicContact CB-CE 4.42Å; M543-M580 HydrophobicContact CB-SD 4.18Å; M543-M580 HydrophobicContact CE-CE 3.33Å; M543-M580 HydrophobicContact CE-SD 4.25Å; M543-M580 HydrophobicContact CG-SD 4.38Å |
| 544 | Q | 95.2 | Very high | 93.8 | Very high | 83 Ų | 83 | 42.2 Ų | 42.2 | 39% | 0.388 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.8 | -38.7 | 175.2 | -74 | 178 | -27.1 | 0 | 0 | 112.4 | R540 V542 H548 E579 | R540-Q544 WeakPolarHBondContact O-CG 3.21Å; R540-Q544 PolarHBondContact O-N 3.01Å; V542-Q544 VanDerWaalsContact C-N 3.32Å; V542-Q544 PolarHBondContact O-N 3.36Å; Q544-H548 WeakPolarHBondContact O-CB 3.47Å; Q544-H548 PolarHBondContact O-N 3.07Å; Q544-H548 VanDerWaalsContact O-N 3.12Å; Q544-E579 PolarHBondContact NE2-OE1 3.04Å |
| 545 | A | 96.4 | Very high | 93.5 | Very high | 15 Ų | 15 | 39.8 Ų | 39.8 | 12% | 0.124 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.2 | -45.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L505 I506 P541 V542 M543 L547 H548 I549 | L505-A545 HydrophobicContact CD1-CB 4.4Å; L505-A545 HydrophobicContact CG-CB 4.17Å; I506-A545 HydrophobicContact CG1-CB 4.24Å; P541-A545 WeakPolarHBondContact O-CB 3.48Å; P541-A545 PolarHBondContact O-N 2.91Å; V542-A545 WeakPolarHBondContact O-CB 3.47Å; V542-A545 PolarHBondContact O-N 2.95Å; V542-A545 VanDerWaalsContact O-N 3.1Å; M543-A545 VanDerWaalsContact C-N 3.34Å; M543-A545 PolarHBondContact O-N 3.48Å; A545-L547 PolarHBondContact O-N 3.37Å; A545-H548 WeakPolarHBondContact O-CB 3.35Å; A545-H548 PolarHBondContact O-N 3.49Å; A545-I549 WeakPolarHBondContact O-CD1 3.46Å; A545-I549 WeakPolarHBondContact O-CG1 3.33Å; A545-I549 PolarHBondContact O-N 2.92Å |
| 546 | L | 96.5 | Very high | 93.1 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.1 | -48.3 | 178.2 | -68 | 171.5 | 0 | 0 | 0 | 111.9 | L505 A518 V542 M543 H548 I549 I550 V561 I562 M565 | L505-L546 HydrophobicContact CD1-CD2 4.1Å; L505-L546 HydrophobicContact CD2-CD2 4.24Å; L505-L546 HydrophobicContact CD2-CG 4.4Å; A518-L546 HydrophobicContact CB-CD2 3.41Å; A518-L546 VanDerWaalsContact CB-CD2 3.41Å; V542-L546 HydrophobicContact CG1-CD1 3.96Å; V542-L546 HydrophobicContact CG1-CG 4.43Å; V542-L546 WeakPolarHBondContact O-CG 3.47Å; V542-L546 PolarHBondContact O-N 3.23Å; M543-L546 PolarHBondContact O-N 3.39Å; M543-L546 HydrophobicContact SD-CD1 3.98Å; L546-H548 VanDerWaalsContact C-N 3.3Å; L546-H548 PolarHBondContact O-N 2.98Å; L546-I549 PolarHBondContact O-N 3.21Å; L546-I549 VanDerWaalsContact O-N 3.13Å; L546-I550 PolarHBondContact O-N 3.41Å; L546-V561 HydrophobicContact CD1-CG1 4.16Å; L546-V561 HydrophobicContact CD2-CG1 3.87Å; L546-I562 HydrophobicContact CB-CD1 3.76Å; L546-I562 HydrophobicContact CB-CG1 3.72Å; L546-I562 HydrophobicContact CD1-CG1 4.07Å; L546-I562 HydrophobicContact CG-CG1 4.42Å; L546-M565 HydrophobicContact CD1-CG 4.31Å |
| 547 | L | 95.2 | Very high | 92.8 | Very high | 8 Ų | 8 | 42.6 Ų | 42.6 | 4% | 0.042 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.9 | -40 | 176.7 | -72.8 | 172.8 | 0 | 0 | 0 | 112.4 | M543 A545 R551 I562 M580 H583 L584 | M543-L547 WeakPolarHBondContact O-CB 3.27Å; M543-L547 VanDerWaalsContact O-CG 3.29Å; M543-L547 WeakPolarHBondContact O-CG 3.47Å; M543-L547 PolarHBondContact O-N 3.13Å; A545-L547 PolarHBondContact O-N 3.37Å; L547-R551 PolarHBondContact O-N 2.87Å; L547-I562 HydrophobicContact CD2-CD1 3.84Å; L547-I562 HydrophobicContact CG-CD1 4.21Å; L547-M580 HydrophobicContact CD1-CB 3.92Å; L547-M580 HydrophobicContact CD1-CG 3.73Å; L547-H583 HydrophobicContact CD1-CB 4.19Å; L547-H583 PolarHBondContact O-CE1 3.32Å; L547-L584 HydrophobicContact CD2-CD1 4.43Å; L547-L584 HydrophobicContact CD2-CD2 3.57Å; L547-L584 HydrophobicContact CD2-CG 3.72Å |
| 548 | H | 94.6 | Very high | 92.7 | Very high | 67 Ų | 67 | 38 Ų | 38 | 31% | 0.31 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63.9 | -44.1 | 174.9 | 176.6 | 39.7 | 0 | 0 | 0 | 111.5 | Q544 A545 L546 R551 E552 | Q544-H548 WeakPolarHBondContact O-CB 3.47Å; Q544-H548 PolarHBondContact O-N 3.07Å; Q544-H548 VanDerWaalsContact O-N 3.12Å; A545-H548 WeakPolarHBondContact O-CB 3.35Å; A545-H548 PolarHBondContact O-N 3.49Å; L546-H548 VanDerWaalsContact C-N 3.3Å; L546-H548 PolarHBondContact O-N 2.98Å; H548-R551 PolarHBondContact ND1-NH2 2.92Å; H548-R551 PolarHBondContact O-N 2.98Å; H548-E552 WeakPolarHBondContact CE1-CG 3.43Å; H548-E552 IonicContact CE1-OE1 2.83Å; H548-E552 PolarHBondContact CE1-OE1 3.39Å; H548-E552 IonicContact ND1-OE1 2.74Å; H548-E552 VanDerWaalsContact O-CG 3.32Å; H548-E552 WeakPolarHBondContact O-CG 3.34Å; H548-E552 PolarHBondContact O-N 3.32Å |
| 549 | I | 94.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.2 | -48.2 | -178.3 | -62.2 | 157.5 | 0 | 0 | 0 | 110.2 | L505 M511 K514 V515 A545 L546 R551 E552 T553 L558 | L505-I549 HydrophobicContact CD1-CD1 3.4Å; L505-I549 VanDerWaalsContact CD1-CD1 3.4Å; M511-I549 HydrophobicContact SD-CG1 4.11Å; M511-I549 HydrophobicContact SD-CG2 4.03Å; K514-I549 HydrophobicContact CB-CD1 3.73Å; K514-I549 HydrophobicContact CB-CG1 4.24Å; K514-I549 HydrophobicContact CD-CD1 4.32Å; K514-I549 HydrophobicContact CD-CG1 4.32Å; V515-I549 HydrophobicContact CG2-CG2 3.81Å; A545-I549 WeakPolarHBondContact O-CD1 3.46Å; A545-I549 WeakPolarHBondContact O-CG1 3.33Å; A545-I549 PolarHBondContact O-N 2.92Å; L546-I549 PolarHBondContact O-N 3.21Å; L546-I549 VanDerWaalsContact O-N 3.13Å; I549-R551 PolarHBondContact O-N 3.13Å; I549-E552 PolarHBondContact O-N 2.98Å; I549-T553 HydrophobicContact CG2-CG2 3.82Å; I549-T553 PolarHBondContact O-N 3.18Å; I549-T553 PolarHBondContact O-OG1 3.11Å; I549-T553 VanDerWaalsContact O-OG1 3.05Å; I549-L558 HydrophobicContact CB-CD1 4.1Å; I549-L558 HydrophobicContact CG2-CD1 3.31Å |
| 550 | I | 92.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -53.5 | -42.8 | 177.9 | -69.4 | -178 | 0 | 0 | 0 | 111.6 | L546 E552 E554 L558 T559 I562 T587 I611 | L546-I550 PolarHBondContact O-N 3.41Å; I550-E552 VanDerWaalsContact C-N 3.3Å; I550-E552 PolarHBondContact O-N 3.37Å; I550-E554 WeakPolarHBondContact O-CA 3.24Å; I550-E554 PolarHBondContact O-N 3.07Å; I550-L558 HydrophobicContact CD1-CB 3.92Å; I550-L558 HydrophobicContact CG1-CB 3.49Å; I550-L558 VanDerWaalsContact CG1-CB 3.49Å; I550-L558 HydrophobicContact CG1-CD1 4.14Å; I550-L558 HydrophobicContact CG1-CG 4.49Å; I550-T559 HydrophobicContact CD1-CG2 4.13Å; I550-I562 HydrophobicContact CD1-CD1 3.21Å; I550-I562 HydrophobicContact CD1-CG1 3.91Å; I550-I562 HydrophobicContact CG1-CD1 4.25Å; I550-T587 HydrophobicContact CG2-CG2 4.39Å; I550-I611 HydrophobicContact CG2-CD1 4.42Å; I550-I611 HydrophobicContact CG2-CG1 4.42Å |
| 551 | R | 90.8 | Very high | 92.5 | Very high | 85 Ų | 85 | 32.3 Ų | 32.3 | 32% | 0.321 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -66.9 | -29.9 | 179.6 | -170.3 | -171.2 | 72.6 | -156.4 | 1.1 | 113.5 | L547 H548 I549 H583 T587 | L547-R551 PolarHBondContact O-N 2.87Å; H548-R551 PolarHBondContact ND1-NH2 2.92Å; H548-R551 PolarHBondContact O-N 2.98Å; I549-R551 PolarHBondContact O-N 3.13Å; R551-H583 PolarHBondContact NH1-NE2 2.81Å; R551-T587 HydrophobicContact CB-CG2 4.04Å; R551-T587 HydrophobicContact CG-CG2 4.12Å |
| 552 | E | 90.4 | Very high | 92.5 | Very high | 73 Ų | 73 | 29.8 Ų | 29.8 | 34% | 0.341 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -91.6 | -33 | -178.3 | -57.2 | -69.2 | 140.7 | 0 | 0 | 112.3 | Y373 M511 H548 I549 I550 | Y373-E552 WeakPolarHBondContact CD1-O 3.42Å; Y373-E552 HydrophobicContact CE1-CB 4.05Å; Y373-E552 WeakPolarHBondContact CE1-O 3.24Å; M511-E552 HydrophobicContact CE-CB 4.05Å; M511-E552 HydrophobicContact CE-CG 4.31Å; H548-E552 WeakPolarHBondContact CE1-CG 3.43Å; H548-E552 IonicContact CE1-OE1 2.83Å; H548-E552 PolarHBondContact CE1-OE1 3.39Å; H548-E552 IonicContact ND1-OE1 2.74Å; H548-E552 VanDerWaalsContact O-CG 3.32Å; H548-E552 WeakPolarHBondContact O-CG 3.34Å; H548-E552 PolarHBondContact O-N 3.32Å; I549-E552 PolarHBondContact O-N 2.98Å; I550-E552 VanDerWaalsContact C-N 3.3Å; I550-E552 PolarHBondContact O-N 3.37Å |
| 553 | T | 88.3 | Confident | 92.5 | Very high | 22 Ų | 22 | 31.5 Ų | 31.5 | 14% | 0.135 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -100.3 | -18 | -174.6 | 66.3 | 0 | 0 | 0 | 0 | 113.8 | Y373 I376 M511 V515 I549 N555 | Y373-T553 HydrophobicContact CD1-CG2 4.13Å; Y373-T553 HydrophobicContact CE1-CG2 4.11Å; I376-T553 HydrophobicContact CD1-CG2 3.89Å; M511-T553 HydrophobicContact CG-CG2 3.48Å; M511-T553 VanDerWaalsContact CG-CG2 3.48Å; M511-T553 HydrophobicContact SD-CG2 3.99Å; V515-T553 HydrophobicContact CG2-CG2 4.14Å; I549-T553 HydrophobicContact CG2-CG2 3.82Å; I549-T553 PolarHBondContact O-N 3.18Å; I549-T553 PolarHBondContact O-OG1 3.11Å; I549-T553 VanDerWaalsContact O-OG1 3.05Å; T553-N555 PolarHBondContact O-N 2.91Å; T553-N555 VanDerWaalsContact O-N 3.08Å |
| 554 | E | 86.2 | Confident | 92.5 | Very high | 66 Ų | 66 | 36.8 Ų | 36.8 | 31% | 0.308 | 18% | 0.177 | S | C | . | . | trans | 49.6 | 34.9 | -176.2 | -59.2 | 178.5 | -173.5 | 0 | 0 | 112.6 | I550 V591 K604 T607 | I550-E554 WeakPolarHBondContact O-CA 3.24Å; I550-E554 PolarHBondContact O-N 3.07Å; E554-V591 HydrophobicContact CG-CG2 4.39Å; E554-K604 WeakPolarHBondContact OE2-CE 3.36Å; E554-T607 HydrophobicContact CB-CG2 4.34Å; E554-T607 PolarHBondContact O-OG1 3.25Å | ||
| 555 | N | 85.8 | Confident | 92.4 | Very high | 10 Ų | 10 | 32.9 Ų | 32.9 | 5% | 0.053 | 16% | 0.159 | C | C | . | . | trans | -92.9 | 128.9 | -178.3 | 169.1 | -82.8 | 0 | 0 | 0 | 110.1 | F380 T553 D557 L558 | F380-N555 WeakPolarHBondContact CB-ND2 3.44Å; T553-N555 PolarHBondContact O-N 2.91Å; T553-N555 VanDerWaalsContact O-N 3.08Å; N555-D557 PolarHBondContact ND2-OD2 2.98Å; N555-D557 WeakPolarHBondContact OD1-CB 3.35Å; N555-D557 PolarHBondContact OD1-N 3.22Å; N555-D557 VanDerWaalsContact OD1-N 3.16Å; N555-L558 HydrophobicContact CB-CD1 4.3Å; N555-L558 HydrophobicContact CB-CG 4.5Å; N555-L558 WeakPolarHBondContact OD1-CG 3.33Å; N555-L558 PolarHBondContact OD1-N 3.37Å; N555-L558 VanDerWaalsContact OD1-N 3.13Å | ||
| 556 | D | 87.1 | Confident | 92.4 | Very high | 56 Ų | 56 | 32.2 Ų | 32.2 | 30% | 0.299 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -76.8 | -32.1 | -174.7 | 68 | -71.8 | 0 | 0 | 0 | 113.1 | L558 T559 V606 | D556-L558 PolarHBondContact O-N 3.32Å; D556-L558 VanDerWaalsContact O-N 3.1Å; D556-T559 WeakPolarHBondContact O-CB 3.44Å; D556-T559 PolarHBondContact O-N 3.14Å; D556-T559 PolarHBondContact O-OG1 3.34Å; D556-V606 HydrophobicContact CB-CG1 3.83Å |
| 557 | D | 87.9 | Confident | 92.3 | Very high | 53 Ų | 53 | 35.7 Ų | 35.7 | 28% | 0.283 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -54 | -35.7 | 175.2 | -62.5 | -76.3 | 0 | 0 | 0 | 111.9 | F380 N555 T559 N560 V561 | F380-D557 WeakPolarHBondContact CD1-OD2 3.43Å; N555-D557 PolarHBondContact ND2-OD2 2.98Å; N555-D557 WeakPolarHBondContact OD1-CB 3.35Å; N555-D557 PolarHBondContact OD1-N 3.22Å; N555-D557 VanDerWaalsContact OD1-N 3.16Å; D557-T559 VanDerWaalsContact C-N 3.26Å; D557-T559 PolarHBondContact O-N 2.88Å; D557-N560 WeakPolarHBondContact O-CB 3.28Å; D557-N560 PolarHBondContact O-N 3.14Å; D557-V561 PolarHBondContact O-N 3.37Å |
| 558 | L | 92.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.5 | -25 | 178.2 | -68.4 | 177.8 | 0 | 0 | 0 | 113.2 | V515 A518 I519 I549 I550 N555 D556 V561 I562 | V515-L558 HydrophobicContact CG1-CD2 4.35Å; V515-L558 HydrophobicContact CG2-CD1 4.37Å; A518-L558 HydrophobicContact CB-CD2 3.56Å; I519-L558 HydrophobicContact CG1-CD2 4.48Å; I549-L558 HydrophobicContact CB-CD1 4.1Å; I549-L558 HydrophobicContact CG2-CD1 3.31Å; I550-L558 HydrophobicContact CD1-CB 3.92Å; I550-L558 HydrophobicContact CG1-CB 3.49Å; I550-L558 VanDerWaalsContact CG1-CB 3.49Å; I550-L558 HydrophobicContact CG1-CD1 4.14Å; I550-L558 HydrophobicContact CG1-CG 4.49Å; N555-L558 HydrophobicContact CB-CD1 4.3Å; N555-L558 HydrophobicContact CB-CG 4.5Å; N555-L558 WeakPolarHBondContact OD1-CG 3.33Å; N555-L558 PolarHBondContact OD1-N 3.37Å; N555-L558 VanDerWaalsContact OD1-N 3.13Å; D556-L558 PolarHBondContact O-N 3.32Å; D556-L558 VanDerWaalsContact O-N 3.1Å; L558-V561 WeakPolarHBondContact O-CB 3.49Å; L558-V561 PolarHBondContact O-N 2.85Å; L558-I562 WeakPolarHBondContact O-CG1 3.43Å; L558-I562 PolarHBondContact O-N 3.1Å |
| 559 | T | 92.9 | Very high | 92.2 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.012 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.2 | -43.4 | 173 | 69.5 | 0 | 0 | 0 | 0 | 110.2 | I550 D556 D557 V561 I562 Q563 I611 | I550-T559 HydrophobicContact CD1-CG2 4.13Å; D556-T559 WeakPolarHBondContact O-CB 3.44Å; D556-T559 PolarHBondContact O-N 3.14Å; D556-T559 PolarHBondContact O-OG1 3.34Å; D557-T559 VanDerWaalsContact C-N 3.26Å; D557-T559 PolarHBondContact O-N 2.88Å; T559-V561 VanDerWaalsContact C-N 3.32Å; T559-V561 PolarHBondContact O-N 3.13Å; T559-I562 PolarHBondContact O-N 3.16Å; T559-I562 VanDerWaalsContact O-N 3.15Å; T559-Q563 WeakPolarHBondContact O-CG 3.49Å; T559-Q563 PolarHBondContact O-N 2.81Å; T559-I611 HydrophobicContact CG2-CG1 4.27Å |
| 560 | N | 93.4 | Very high | 92.1 | Very high | 75 Ų | 75 | 37.5 Ų | 37.5 | 40% | 0.401 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.4 | -39.1 | 173.4 | -66 | -36.4 | 0 | 0 | 0 | 111.7 | D557 Q563 K564 | D557-N560 WeakPolarHBondContact O-CB 3.28Å; D557-N560 PolarHBondContact O-N 3.14Å; N560-Q563 PolarHBondContact O-N 3.19Å; N560-K564 WeakPolarHBondContact O-CG 3.25Å; N560-K564 PolarHBondContact O-N 3.07Å |
| 561 | V | 95.2 | Very high | 92.1 | Very high | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.03 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.2 | -47.1 | 173 | 166.6 | 0 | 0 | 0 | 0 | 111 | I519 Q522 L546 D557 L558 T559 M565 | I519-V561 HydrophobicContact CG1-CG2 4.01Å; Q522-V561 HydrophobicContact CB-CB 4.45Å; Q522-V561 HydrophobicContact CB-CG1 3.75Å; Q522-V561 HydrophobicContact CB-CG2 4.34Å; Q522-V561 HydrophobicContact CG-CB 4.45Å; Q522-V561 HydrophobicContact CG-CG1 4.12Å; Q522-V561 HydrophobicContact CG-CG2 4.5Å; L546-V561 HydrophobicContact CD1-CG1 4.16Å; L546-V561 HydrophobicContact CD2-CG1 3.87Å; D557-V561 PolarHBondContact O-N 3.37Å; L558-V561 WeakPolarHBondContact O-CB 3.49Å; L558-V561 PolarHBondContact O-N 2.85Å; T559-V561 VanDerWaalsContact C-N 3.32Å; T559-V561 PolarHBondContact O-N 3.13Å; V561-M565 HydrophobicContact CG1-CG 4.46Å; V561-M565 WeakPolarHBondContact O-CB 3.49Å; V561-M565 WeakPolarHBondContact O-CG 3.33Å; V561-M565 PolarHBondContact O-N 3.34Å |
| 562 | I | 96.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64 | -44.4 | 178.7 | -70.2 | -171.4 | 0 | 0 | 0 | 111.3 | M543 L546 L547 I550 L558 T559 K564 M565 I566 M580 T614 | M543-I562 HydrophobicContact CE-CG2 3.79Å; L546-I562 HydrophobicContact CB-CD1 3.76Å; L546-I562 HydrophobicContact CB-CG1 3.72Å; L546-I562 HydrophobicContact CD1-CG1 4.07Å; L546-I562 HydrophobicContact CG-CG1 4.42Å; L547-I562 HydrophobicContact CD2-CD1 3.84Å; L547-I562 HydrophobicContact CG-CD1 4.21Å; I550-I562 HydrophobicContact CD1-CD1 3.21Å; I550-I562 HydrophobicContact CD1-CG1 3.91Å; I550-I562 HydrophobicContact CG1-CD1 4.25Å; L558-I562 WeakPolarHBondContact O-CG1 3.43Å; L558-I562 PolarHBondContact O-N 3.1Å; T559-I562 PolarHBondContact O-N 3.16Å; T559-I562 VanDerWaalsContact O-N 3.15Å; I562-K564 PolarHBondContact O-N 3.35Å; I562-M565 CarbonylContact O-C 3.56Å; I562-M565 PolarHBondContact O-N 2.79Å; I562-I566 HydrophobicContact CG2-CD1 3.59Å; I562-I566 HydrophobicContact CG2-CG1 4.18Å; I562-I566 WeakPolarHBondContact O-CD1 3.49Å; I562-I566 VanDerWaalsContact O-CG1 3.24Å; I562-I566 WeakPolarHBondContact O-CG1 3.32Å; I562-I566 PolarHBondContact O-N 3.36Å; I562-M580 HydrophobicContact CG2-CE 4.29Å; I562-T614 HydrophobicContact CB-CG2 4.17Å; I562-T614 HydrophobicContact CG2-CG2 3.47Å; I562-T614 VanDerWaalsContact CG2-CG2 3.47Å |
| 563 | Q | 96 | Very high | 92.3 | Very high | 36 Ų | 36 | 40.4 Ų | 40.4 | 17% | 0.168 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.4 | -50.4 | 178.5 | -72.3 | 172 | 32.4 | 0 | 0 | 111.8 | T559 N560 M565 I566 C567 G610 T614 T617 | T559-Q563 WeakPolarHBondContact O-CG 3.49Å; T559-Q563 PolarHBondContact O-N 2.81Å; N560-Q563 PolarHBondContact O-N 3.19Å; Q563-M565 VanDerWaalsContact C-N 3.29Å; Q563-M565 PolarHBondContact O-N 3.27Å; Q563-I566 WeakPolarHBondContact O-CB 3.48Å; Q563-I566 PolarHBondContact O-N 3.45Å; Q563-I566 VanDerWaalsContact O-N 3.08Å; Q563-C567 PolarHBondContact O-N 2.98Å; Q563-C567 VanDerWaalsContact O-N 3.09Å; Q563-C567 PolarHBondContact O-SG 2.94Å; Q563-C567 VanDerWaalsContact O-SG 3.41Å; Q563-G610 PolarHBondContact NE2-O 3.14Å; Q563-T614 HydrophobicContact CG-CG2 4.13Å; Q563-T614 PolarHBondContact NE2-OG1 3.44Å; Q563-T617 HydrophobicContact CB-CG2 4.36Å; Q563-T617 HydrophobicContact CG-CG2 4.46Å |
| 564 | K | 94.9 | Very high | 92.6 | Very high | 112 Ų | 112 | 40 Ų | 40 | 49% | 0.487 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.6 | -40 | 176.7 | -69.8 | -176.9 | -178.4 | 179.3 | 0 | 111.9 | Q522 N560 I562 I566 C567 E568 | Q522-K564 HydrophobicContact CG-CB 3.99Å; N560-K564 WeakPolarHBondContact O-CG 3.25Å; N560-K564 PolarHBondContact O-N 3.07Å; I562-K564 PolarHBondContact O-N 3.35Å; K564-I566 VanDerWaalsContact C-N 3.32Å; K564-I566 PolarHBondContact O-N 2.86Å; K564-C567 PolarHBondContact O-N 3.35Å; K564-E568 VanDerWaalsContact O-CG 3.24Å; K564-E568 WeakPolarHBondContact O-CG 3.25Å; K564-E568 PolarHBondContact O-N 3.27Å; K564-E568 VanDerWaalsContact O-N 3.09Å |
| 565 | M | 94.9 | Very high | 92.8 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.4 | -32.2 | 176 | -69 | -68.3 | -61.9 | 0 | 0 | 112.9 | Q522 I525 I539 V542 M543 L546 V561 I562 Q563 Y569 | Q522-M565 HydrophobicContact CB-CG 4.3Å; Q522-M565 HydrophobicContact CB-SD 4.16Å; Q522-M565 HydrophobicContact CG-CG 4.08Å; Q522-M565 HydrophobicContact CG-SD 4.22Å; I525-M565 HydrophobicContact CD1-CE 3.69Å; I525-M565 HydrophobicContact CD1-SD 3.57Å; I525-M565 VanDerWaalsContact CD1-SD 3.57Å; I539-M565 HydrophobicContact CD1-CE 3.47Å; I539-M565 VanDerWaalsContact CD1-CE 3.47Å; V542-M565 HydrophobicContact CG1-CE 3.93Å; M543-M565 HydrophobicContact CE-CB 4.08Å; M543-M565 HydrophobicContact SD-CB 3.79Å; L546-M565 HydrophobicContact CD1-CG 4.31Å; V561-M565 HydrophobicContact CG1-CG 4.46Å; V561-M565 WeakPolarHBondContact O-CB 3.49Å; V561-M565 WeakPolarHBondContact O-CG 3.33Å; V561-M565 PolarHBondContact O-N 3.34Å; I562-M565 CarbonylContact O-C 3.56Å; I562-M565 PolarHBondContact O-N 2.79Å; Q563-M565 VanDerWaalsContact C-N 3.29Å; Q563-M565 PolarHBondContact O-N 3.27Å; M565-Y569 HydrophobicContact CE-CD2 4Å; M565-Y569 HydrophobicContact CE-CE2 3.67Å; M565-Y569 WeakPolarHBondContact O-CD2 3.36Å; M565-Y569 PolarHBondContact O-N 2.71Å; M565-Y569 HydrophobicContact SD-CE2 4.2Å |
| 566 | I | 95 | Very high | 93.2 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.2 | -46 | 174.6 | -69.7 | 157 | 0 | 0 | 0 | 110.5 | M543 I562 Q563 K564 Y569 S570 V573 M580 T614 T617 L618 V621 | M543-I566 HydrophobicContact CE-CG1 3.9Å; I562-I566 HydrophobicContact CG2-CD1 3.59Å; I562-I566 HydrophobicContact CG2-CG1 4.18Å; I562-I566 WeakPolarHBondContact O-CD1 3.49Å; I562-I566 VanDerWaalsContact O-CG1 3.24Å; I562-I566 WeakPolarHBondContact O-CG1 3.32Å; I562-I566 PolarHBondContact O-N 3.36Å; Q563-I566 WeakPolarHBondContact O-CB 3.48Å; Q563-I566 PolarHBondContact O-N 3.45Å; Q563-I566 VanDerWaalsContact O-N 3.08Å; K564-I566 VanDerWaalsContact C-N 3.32Å; K564-I566 PolarHBondContact O-N 2.86Å; I566-Y569 CarbonylContact O-C 3.53Å; I566-Y569 PolarHBondContact O-N 3.32Å; I566-S570 WeakPolarHBondContact O-CA 3.41Å; I566-S570 PolarHBondContact O-N 3.46Å; I566-V573 HydrophobicContact CG1-CG1 4.27Å; I566-V573 HydrophobicContact CG2-CG1 4.37Å; I566-M580 HydrophobicContact CD1-CE 4.31Å; I566-M580 HydrophobicContact CG1-CE 4.17Å; I566-T614 HydrophobicContact CD1-CG2 3.87Å; I566-T617 HydrophobicContact CB-CG2 4.4Å; I566-T617 HydrophobicContact CG2-CG2 4.14Å; I566-L618 HydrophobicContact CB-CD2 4.46Å; I566-L618 HydrophobicContact CD1-CD1 4.31Å; I566-L618 HydrophobicContact CD1-CD2 3.59Å; I566-L618 HydrophobicContact CD1-CG 3.58Å; I566-L618 HydrophobicContact CG1-CD2 3.74Å; I566-L618 HydrophobicContact CG1-CG 4.3Å; I566-L618 HydrophobicContact CG2-CD2 3.84Å; I566-L618 HydrophobicContact CG2-CG 4.48Å; I566-V621 HydrophobicContact CG2-CB 4.11Å; I566-V621 HydrophobicContact CG2-CG1 4.31Å; I566-V621 HydrophobicContact CG2-CG2 3.87Å |
| 567 | C | 94.4 | Very high | 93.6 | Very high | 75 Ų | 75 | 39.1 Ų | 39.1 | 51% | 0.507 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.5 | -40.7 | -179.8 | -62 | 0 | 0 | 0 | 0 | 112.3 | Q563 K564 Y569 | Q563-C567 PolarHBondContact O-N 2.98Å; Q563-C567 VanDerWaalsContact O-N 3.09Å; Q563-C567 PolarHBondContact O-SG 2.94Å; Q563-C567 VanDerWaalsContact O-SG 3.41Å; K564-C567 PolarHBondContact O-N 3.35Å; C567-Y569 PolarHBondContact O-N 3.04Å |
| 568 | E | 93.2 | Very high | 93.9 | Very high | 62 Ų | 62 | 37.9 Ų | 37.9 | 29% | 0.29 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -73.8 | -22.8 | -178.2 | -66.1 | -73.8 | -169.8 | 0 | 0 | 114.1 | I525 K532 K564 | I525-E568 HydrophobicContact CG2-CB 4.5Å; K532-E568 WeakPolarHBondContact CE-OE2 3.46Å; K532-E568 IonicContact NZ-OE1 2.75Å; K532-E568 IonicContact NZ-OE2 3.67Å; K532-E568 PolarHBondContact NZ-OE2 2.94Å; K564-E568 VanDerWaalsContact O-CG 3.24Å; K564-E568 WeakPolarHBondContact O-CG 3.25Å; K564-E568 PolarHBondContact O-N 3.27Å; K564-E568 VanDerWaalsContact O-N 3.09Å |
| 569 | Y | 94.5 | Very high | 94.1 | Very high | 3 Ų | 3 | 41.9 Ų | 41.9 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.5 | 44.4 | -176.6 | -60.1 | -83.8 | 0 | 0 | 0 | 112.2 | I525 K532 I535 I539 M565 I566 C567 E571 E572 V573 | I525-Y569 HydrophobicContact CD1-CE2 4.14Å; I525-Y569 HydrophobicContact CG2-CE2 3.81Å; I525-Y569 WeakPolarHBondContact CG2-OH 3.3Å; K532-Y569 WeakPolarHBondContact CA-OH 3.48Å; K532-Y569 HydrophobicContact CB-CE1 4.41Å; I535-Y569 WeakPolarHBondContact CB-OH 3.4Å; I539-Y569 HydrophobicContact CD1-CD1 4.38Å; I539-Y569 HydrophobicContact CD1-CD2 3.46Å; I539-Y569 VanDerWaalsContact CD1-CD2 3.46Å; I539-Y569 HydrophobicContact CD1-CE2 3.93Å; I539-Y569 HydrophobicContact CD1-CG 3.71Å; I539-Y569 HydrophobicContact CG1-CD1 4.41Å; I539-Y569 HydrophobicContact CG1-CD2 4.21Å; I539-Y569 HydrophobicContact CG1-CG 3.93Å; M565-Y569 HydrophobicContact CE-CD2 4Å; M565-Y569 HydrophobicContact CE-CE2 3.67Å; M565-Y569 WeakPolarHBondContact O-CD2 3.36Å; M565-Y569 PolarHBondContact O-N 2.71Å; M565-Y569 HydrophobicContact SD-CE2 4.2Å; I566-Y569 CarbonylContact O-C 3.53Å; I566-Y569 PolarHBondContact O-N 3.32Å; C567-Y569 PolarHBondContact O-N 3.04Å; Y569-E571 VanDerWaalsContact C-N 3.31Å; Y569-E571 PolarHBondContact O-N 2.9Å; Y569-E572 PolarHBondContact O-N 3.02Å; Y569-V573 VanDerWaalsContact O-CB 3.32Å; Y569-V573 WeakPolarHBondContact O-CB 3.27Å; Y569-V573 VanDerWaalsContact O-CG2 3.26Å; Y569-V573 WeakPolarHBondContact O-CG2 3.46Å; Y569-V573 PolarHBondContact O-N 3.04Å |
| 570 | S | 92.5 | Very high | 94.1 | Very high | 50 Ų | 50 | 42 Ų | 42 | 35% | 0.35 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -52.4 | -46 | -177.2 | 52.9 | 0 | 0 | 0 | 0 | 113.2 | I566 E572 V573 T574 | I566-S570 WeakPolarHBondContact O-CA 3.41Å; I566-S570 PolarHBondContact O-N 3.46Å; S570-E572 PolarHBondContact O-N 3.44Å; S570-V573 PolarHBondContact O-N 3.44Å; S570-T574 WeakPolarHBondContact O-CB 3.44Å; S570-T574 PolarHBondContact O-N 3.2Å; S570-T574 PolarHBondContact O-OG1 3.01Å |
| 571 | E | 92.1 | Very high | 94.3 | Very high | 159 Ų | 159 | 38.5 Ų | 38.5 | 74% | 0.743 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -62.9 | -41.5 | -179.9 | -65.4 | -167 | 175.1 | 0 | 0 | 112.2 | Y569 P575 | Y569-E571 VanDerWaalsContact C-N 3.31Å; Y569-E571 PolarHBondContact O-N 2.9Å; E571-P575 VanDerWaalsContact O-CD 3.29Å; E571-P575 WeakPolarHBondContact O-CD 3.34Å |
| 572 | E | 92.9 | Very high | 94.3 | Very high | 61 Ų | 61 | 42.9 Ų | 42.9 | 29% | 0.285 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -84 | -23.2 | -177.6 | -60.2 | 87.2 | 167.8 | 0 | 0 | 114.1 | T536 I539 Y569 S570 P575 | T536-E572 HydrophobicContact CG2-CG 4.05Å; T536-E572 VanDerWaalsContact CG2-OE1 3.23Å; T536-E572 WeakPolarHBondContact CG2-OE1 3.29Å; I539-E572 HydrophobicContact CG2-CB 3.55Å; I539-E572 HydrophobicContact CG2-CG 4.2Å; Y569-E572 PolarHBondContact O-N 3.02Å; S570-E572 PolarHBondContact O-N 3.44Å; E572-P575 WeakPolarHBondContact O-CD 3.05Å |
| 573 | V | 93.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -78.8 | -34.1 | 175.1 | 167.8 | 0 | 0 | 0 | 0 | 111.2 | I539 M543 I566 Y569 S570 I576 A577 M580 L618 | I539-V573 HydrophobicContact CG1-CG2 4.45Å; M543-V573 HydrophobicContact CG-CG2 4.46Å; I566-V573 HydrophobicContact CG1-CG1 4.27Å; I566-V573 HydrophobicContact CG2-CG1 4.37Å; Y569-V573 VanDerWaalsContact O-CB 3.32Å; Y569-V573 WeakPolarHBondContact O-CB 3.27Å; Y569-V573 VanDerWaalsContact O-CG2 3.26Å; Y569-V573 WeakPolarHBondContact O-CG2 3.46Å; Y569-V573 PolarHBondContact O-N 3.04Å; S570-V573 PolarHBondContact O-N 3.44Å; V573-I576 CarbonylContact O-C 3.56Å; V573-I576 WeakPolarHBondContact O-CG1 3.44Å; V573-I576 PolarHBondContact O-N 3.18Å; V573-A577 PolarHBondContact O-N 3.01Å; V573-M580 HydrophobicContact CG1-CE 4.43Å; V573-M580 HydrophobicContact CG1-SD 3.87Å; V573-L618 HydrophobicContact CG1-CD2 3.69Å |
| 574 | T | 93.4 | Very high | 94.2 | Very high | 12 Ų | 12 | 43.2 Ų | 43.2 | 7% | 0.074 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -47 | -48.1 | -179.6 | -68.6 | 0 | 0 | 0 | 0 | 113.7 | S570 I576 A577 V622 I628 | S570-T574 WeakPolarHBondContact O-CB 3.44Å; S570-T574 PolarHBondContact O-N 3.2Å; S570-T574 PolarHBondContact O-OG1 3.01Å; T574-I576 PolarHBondContact O-N 2.72Å; T574-A577 WeakPolarHBondContact O-CB 3.2Å; T574-A577 PolarHBondContact O-N 2.99Å; T574-V622 HydrophobicContact CG2-CG1 4.46Å; T574-I628 HydrophobicContact CG2-CD1 3.33Å |
| 575 | P | 92 | Very high | 94.2 | Very high | 104 Ų | 104 | 38.2 Ų | 38.2 | 68% | 0.675 | 21% | 0.205 | S | C | * | . | G | 310 helix | trans | -65 | -19.6 | 178.9 | -22.5 | 34 | 0 | 0 | 0 | 115.7 | E571 E572 | E571-P575 VanDerWaalsContact O-CD 3.29Å; E571-P575 WeakPolarHBondContact O-CD 3.34Å; E572-P575 WeakPolarHBondContact O-CD 3.05Å |
| 576 | I | 93.5 | Very high | 94.2 | Very high | 11 Ų | 11 | 43.8 Ų | 43.8 | 6% | 0.056 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -110.9 | -2 | -179.3 | 59.6 | 170.5 | 0 | 0 | 0 | 112.9 | R540 M543 V573 T574 V578 E579 M580 | R540-I576 HydrophobicContact CB-CD1 4.25Å; R540-I576 HydrophobicContact CG-CD1 4.23Å; R540-I576 HydrophobicContact CG-CG2 4.15Å; M543-I576 HydrophobicContact CB-CD1 4.2Å; M543-I576 HydrophobicContact CG-CD1 4.34Å; V573-I576 CarbonylContact O-C 3.56Å; V573-I576 WeakPolarHBondContact O-CG1 3.44Å; V573-I576 PolarHBondContact O-N 3.18Å; T574-I576 PolarHBondContact O-N 2.72Å; I576-V578 PolarHBondContact O-N 3.2Å; I576-V578 VanDerWaalsContact O-N 3.13Å; I576-E579 WeakPolarHBondContact O-CB 3.4Å; I576-E579 PolarHBondContact O-N 3.2Å; I576-M580 HydrophobicContact CD1-CG 4.34Å; I576-M580 HydrophobicContact CD1-SD 3.76Å; I576-M580 HydrophobicContact CG1-CG 4.28Å; I576-M580 HydrophobicContact CG1-SD 3.83Å; I576-M580 WeakPolarHBondContact O-CG 3.5Å; I576-M580 PolarHBondContact O-N 2.96Å |
| 577 | A | 94.8 | Very high | 94 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -52.9 | -38.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | V573 T574 M580 T581 V622 I628 | V573-A577 PolarHBondContact O-N 3.01Å; T574-A577 WeakPolarHBondContact O-CB 3.2Å; T574-A577 PolarHBondContact O-N 2.99Å; A577-M580 PolarHBondContact O-N 2.83Å; A577-T581 WeakPolarHBondContact O-CB 3.19Å; A577-T581 PolarHBondContact O-N 3.39Å; A577-T581 PolarHBondContact O-OG1 3.37Å; A577-V622 HydrophobicContact CB-CG1 4.03Å; A577-I628 HydrophobicContact CB-CG2 4.21Å |
| 578 | V | 95.5 | Very high | 94 | Very high | 27 Ų | 27 | 40.4 Ų | 40.4 | 16% | 0.164 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.2 | -44.6 | 176.8 | -176.7 | 0 | 0 | 0 | 0 | 111.9 | I576 M580 Q582 I628 Q631 L632 I635 | I576-V578 PolarHBondContact O-N 3.2Å; I576-V578 VanDerWaalsContact O-N 3.13Å; V578-M580 VanDerWaalsContact C-N 3.33Å; V578-Q582 VanDerWaalsContact O-CG 3.26Å; V578-Q582 WeakPolarHBondContact O-CG 3.18Å; V578-Q582 PolarHBondContact O-N 3.38Å; V578-Q582 VanDerWaalsContact O-N 3.09Å; V578-I628 HydrophobicContact CG2-CG2 4.19Å; V578-Q631 HydrophobicContact CG1-CB 4.38Å; V578-Q631 HydrophobicContact CG2-CB 3.93Å; V578-L632 HydrophobicContact CB-CD2 4.34Å; V578-L632 HydrophobicContact CG2-CD2 4.03Å; V578-I635 HydrophobicContact CG1-CD1 4.07Å |
| 579 | E | 94.8 | Very high | 93.8 | Very high | 84 Ų | 84 | 39.1 Ų | 39.1 | 39% | 0.393 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.1 | -42.4 | 177.3 | -173.6 | -175 | 154.9 | 0 | 0 | 110.3 | R540 Q544 I576 H583 | R540-E579 IonicContact CZ-OE2 3.74Å; R540-E579 IonicContact NH2-OE2 3.05Å; R540-E579 PolarHBondContact NH2-OE2 3.11Å; Q544-E579 PolarHBondContact NE2-OE1 3.04Å; I576-E579 WeakPolarHBondContact O-CB 3.4Å; I576-E579 PolarHBondContact O-N 3.2Å; E579-H583 PolarHBondContact O-N 3.48Å; E579-H583 VanDerWaalsContact O-N 3.13Å |
| 580 | M | 94.5 | Very high | 93.5 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.02 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.7 | -47.9 | 179.3 | -63.6 | -177 | 49.3 | 0 | 0 | 112.2 | M543 L547 I562 I566 V573 I576 A577 V578 Q582 H583 L584 L618 | M543-M580 HydrophobicContact CB-CE 4.42Å; M543-M580 HydrophobicContact CB-SD 4.18Å; M543-M580 HydrophobicContact CE-CE 3.33Å; M543-M580 HydrophobicContact CE-SD 4.25Å; M543-M580 HydrophobicContact CG-SD 4.38Å; L547-M580 HydrophobicContact CD1-CB 3.92Å; L547-M580 HydrophobicContact CD1-CG 3.73Å; I562-M580 HydrophobicContact CG2-CE 4.29Å; I566-M580 HydrophobicContact CD1-CE 4.31Å; I566-M580 HydrophobicContact CG1-CE 4.17Å; V573-M580 HydrophobicContact CG1-CE 4.43Å; V573-M580 HydrophobicContact CG1-SD 3.87Å; I576-M580 HydrophobicContact CD1-CG 4.34Å; I576-M580 HydrophobicContact CD1-SD 3.76Å; I576-M580 HydrophobicContact CG1-CG 4.28Å; I576-M580 HydrophobicContact CG1-SD 3.83Å; I576-M580 WeakPolarHBondContact O-CG 3.5Å; I576-M580 PolarHBondContact O-N 2.96Å; A577-M580 PolarHBondContact O-N 2.83Å; V578-M580 VanDerWaalsContact C-N 3.33Å; M580-Q582 VanDerWaalsContact C-N 3.3Å; M580-Q582 PolarHBondContact O-N 3.05Å; M580-H583 WeakPolarHBondContact O-CB 3.27Å; M580-H583 PolarHBondContact O-N 3.35Å; M580-H583 VanDerWaalsContact O-N 3.07Å; M580-L584 WeakPolarHBondContact O-CG 3.43Å; M580-L584 PolarHBondContact O-N 3.49Å; M580-L618 HydrophobicContact CB-CD1 4.21Å; M580-L618 HydrophobicContact CE-CD1 4.36Å; M580-L618 HydrophobicContact CE-CD2 4.16Å |
| 581 | T | 96.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.2 | -37 | -179.2 | -52.4 | 0 | 0 | 0 | 0 | 111.3 | A577 H583 L584 A585 I615 L632 I635 | A577-T581 WeakPolarHBondContact O-CB 3.19Å; A577-T581 PolarHBondContact O-N 3.39Å; A577-T581 PolarHBondContact O-OG1 3.37Å; T581-H583 VanDerWaalsContact C-N 3.35Å; T581-L584 PolarHBondContact O-N 3.13Å; T581-A585 VanDerWaalsContact O-CB 3.26Å; T581-A585 WeakPolarHBondContact O-CB 3.47Å; T581-A585 PolarHBondContact O-N 3.28Å; T581-I615 HydrophobicContact CG2-CG1 4.38Å; T581-I615 HydrophobicContact CG2-CG2 3.98Å; T581-L632 HydrophobicContact CG2-CD2 4.08Å; T581-L632 VanDerWaalsContact OG1-CD2 3.31Å; T581-L632 WeakPolarHBondContact OG1-CD2 3.4Å; T581-I635 HydrophobicContact CG2-CB 4.27Å; T581-I635 HydrophobicContact CG2-CD1 4.36Å; T581-I635 HydrophobicContact CG2-CG2 3.91Å |
| 582 | Q | 95.9 | Very high | 92.7 | Very high | 98 Ų | 98 | 35.3 Ų | 35.3 | 46% | 0.458 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.2 | -43.9 | 171.9 | -74 | 174 | -0.8 | 0 | 0 | 111.8 | V578 M580 M586 I635 | V578-Q582 VanDerWaalsContact O-CG 3.26Å; V578-Q582 WeakPolarHBondContact O-CG 3.18Å; V578-Q582 PolarHBondContact O-N 3.38Å; V578-Q582 VanDerWaalsContact O-N 3.09Å; M580-Q582 VanDerWaalsContact C-N 3.3Å; M580-Q582 PolarHBondContact O-N 3.05Å; Q582-M586 WeakPolarHBondContact O-CB 3.28Å; Q582-M586 VanDerWaalsContact O-CG 3.27Å; Q582-M586 WeakPolarHBondContact O-CG 3.35Å; Q582-M586 PolarHBondContact O-N 2.9Å; Q582-I635 HydrophobicContact CG-CD1 3.47Å; Q582-I635 VanDerWaalsContact CG-CD1 3.47Å; Q582-I635 HydrophobicContact CG-CG1 3.97Å |
| 583 | H | 94.5 | Very high | 92 | Very high | 42 Ų | 42 | 39.2 Ų | 39.2 | 19% | 0.194 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.2 | -47.3 | 178.4 | -165.8 | -71.6 | 0 | 0 | 0 | 111.4 | L547 R551 E579 M580 T581 M586 T587 | L547-H583 HydrophobicContact CD1-CB 4.19Å; L547-H583 PolarHBondContact O-CE1 3.32Å; R551-H583 PolarHBondContact NH1-NE2 2.81Å; E579-H583 PolarHBondContact O-N 3.48Å; E579-H583 VanDerWaalsContact O-N 3.13Å; M580-H583 WeakPolarHBondContact O-CB 3.27Å; M580-H583 PolarHBondContact O-N 3.35Å; M580-H583 VanDerWaalsContact O-N 3.07Å; T581-H583 VanDerWaalsContact C-N 3.35Å; H583-M586 PolarHBondContact O-N 3.13Å; H583-T587 PolarHBondContact O-N 3.02Å; H583-T587 PolarHBondContact O-OG1 2.96Å; H583-T587 VanDerWaalsContact O-OG1 3.07Å |
| 584 | L | 95.7 | Very high | 90.8 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.2 | -47 | 176.8 | -71 | 171.4 | 0 | 0 | 0 | 111.6 | L547 M580 T581 M586 T587 F588 I611 T614 I615 L618 | L547-L584 HydrophobicContact CD2-CD1 4.43Å; L547-L584 HydrophobicContact CD2-CD2 3.57Å; L547-L584 HydrophobicContact CD2-CG 3.72Å; M580-L584 WeakPolarHBondContact O-CG 3.43Å; M580-L584 PolarHBondContact O-N 3.49Å; T581-L584 PolarHBondContact O-N 3.13Å; L584-M586 VanDerWaalsContact C-N 3.31Å; L584-M586 PolarHBondContact O-N 3.49Å; L584-T587 PolarHBondContact O-N 2.98Å; L584-F588 WeakPolarHBondContact O-CB 3.44Å; L584-F588 PolarHBondContact O-N 3Å; L584-I611 HydrophobicContact CB-CG2 3.95Å; L584-I611 HydrophobicContact CD2-CG2 4.14Å; L584-I611 WeakPolarHBondContact O-CG2 3.23Å; L584-T614 HydrophobicContact CD1-CG2 3.72Å; L584-T614 HydrophobicContact CD2-CG2 4.39Å; L584-I615 HydrophobicContact CB-CD1 4.03Å; L584-I615 HydrophobicContact CB-CG1 3.87Å; L584-I615 HydrophobicContact CD1-CG1 3.95Å; L584-L618 HydrophobicContact CD1-CD1 3.75Å |
| 585 | A | 95.1 | Very high | 88.9 | Confident | 7 Ų | 7 | 42.7 Ų | 42.7 | 6% | 0.058 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.5 | -38 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | T581 N589 I635 V639 | T581-A585 VanDerWaalsContact O-CB 3.26Å; T581-A585 WeakPolarHBondContact O-CB 3.47Å; T581-A585 PolarHBondContact O-N 3.28Å; A585-N589 WeakPolarHBondContact O-CB 3.48Å; A585-N589 PolarHBondContact O-N 2.98Å; A585-N589 PolarHBondContact O-ND2 2.92Å; A585-I635 HydrophobicContact CB-CG2 3.63Å; A585-V639 HydrophobicContact CB-CG2 3.55Å |
| 586 | M | 93.7 | Very high | 87.2 | Confident | 119 Ų | 119 | 43.1 Ų | 43.1 | 59% | 0.586 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -66.9 | -42.8 | 174.6 | -74.9 | 177.5 | 61.5 | 0 | 0 | 112 | Q582 H583 L584 N589 Q590 | Q582-M586 WeakPolarHBondContact O-CB 3.28Å; Q582-M586 VanDerWaalsContact O-CG 3.27Å; Q582-M586 WeakPolarHBondContact O-CG 3.35Å; Q582-M586 PolarHBondContact O-N 2.9Å; H583-M586 PolarHBondContact O-N 3.13Å; L584-M586 VanDerWaalsContact C-N 3.31Å; L584-M586 PolarHBondContact O-N 3.49Å; M586-N589 PolarHBondContact O-N 3.14Å; M586-Q590 WeakPolarHBondContact O-CG 3.29Å; M586-Q590 PolarHBondContact O-N 2.72Å |
| 587 | T | 92 | Very high | 85.1 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.018 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.2 | -45.6 | 177 | -58.7 | 0 | 0 | 0 | 0 | 110.9 | I550 R551 H583 L584 N589 Q590 V591 I611 | I550-T587 HydrophobicContact CG2-CG2 4.39Å; R551-T587 HydrophobicContact CB-CG2 4.04Å; R551-T587 HydrophobicContact CG-CG2 4.12Å; H583-T587 PolarHBondContact O-N 3.02Å; H583-T587 PolarHBondContact O-OG1 2.96Å; H583-T587 VanDerWaalsContact O-OG1 3.07Å; L584-T587 PolarHBondContact O-N 2.98Å; T587-N589 VanDerWaalsContact C-N 3.32Å; T587-N589 PolarHBondContact O-N 3.28Å; T587-Q590 WeakPolarHBondContact O-CB 3.42Å; T587-Q590 PolarHBondContact O-N 3.04Å; T587-V591 HydrophobicContact CG2-CG2 4.41Å; T587-V591 WeakPolarHBondContact O-CG2 3.4Å; T587-V591 PolarHBondContact O-N 3.48Å; T587-I611 HydrophobicContact CG2-CD1 3.72Å |
| 588 | F | 93.3 | Very high | 83.1 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -52.3 | -50.3 | 172.5 | 177.7 | -96.9 | 0 | 0 | 0 | 111.5 | L584 Q590 V591 I592 A608 I611 L612 V639 V643 F651 | L584-F588 WeakPolarHBondContact O-CB 3.44Å; L584-F588 PolarHBondContact O-N 3Å; F588-Q590 PolarHBondContact O-N 3.47Å; F588-V591 PolarHBondContact O-N 2.89Å; F588-I592 HydrophobicContact CD1-CD1 4.18Å; F588-I592 HydrophobicContact CD1-CG2 4.39Å; F588-I592 HydrophobicContact CD2-CG2 4.4Å; F588-I592 HydrophobicContact CE1-CD1 3.77Å; F588-I592 HydrophobicContact CE1-CG2 3.98Å; F588-I592 HydrophobicContact CE2-CG2 3.97Å; F588-I592 HydrophobicContact CZ-CD1 4.47Å; F588-I592 HydrophobicContact CZ-CG2 3.74Å; F588-I592 WeakPolarHBondContact O-CG2 3.34Å; F588-I592 PolarHBondContact O-N 2.76Å; F588-A608 HydrophobicContact CD2-CB 3.99Å; F588-A608 HydrophobicContact CE2-CB 3.92Å; F588-I611 HydrophobicContact CB-CG2 3.95Å; F588-L612 HydrophobicContact CD2-CD1 4.41Å; F588-L612 HydrophobicContact CD2-CD2 3.82Å; F588-L612 HydrophobicContact CD2-CG 3.91Å; F588-L612 HydrophobicContact CE2-CD1 3.64Å; F588-L612 HydrophobicContact CE2-CD2 3.72Å; F588-L612 HydrophobicContact CE2-CG 3.64Å; F588-L612 HydrophobicContact CG-CD2 4.29Å; F588-L612 HydrophobicContact CZ-CD1 4.08Å; F588-L612 HydrophobicContact CZ-CD2 4.09Å; F588-L612 HydrophobicContact CZ-CG 4.35Å; F588-V639 HydrophobicContact CD1-CG1 3.8Å; F588-V639 HydrophobicContact CE1-CG1 3.75Å; F588-V639 HydrophobicContact CG-CG1 4.45Å; F588-V639 HydrophobicContact CZ-CG1 4.38Å; F588-V643 HydrophobicContact CE1-CG2 3.74Å; F588-V643 HydrophobicContact CZ-CG2 3.62Å; F588-F651 HydrophobicContact CE2-CD2 4.45Å; F588-F651 HydrophobicContact CE2-CG 4.49Å; F588-F651 HydrophobicContact CZ-CD2 4.16Å; F588-F651 HydrophobicContact CZ-CE2 4.44Å; F588-F651 HydrophobicContact CZ-CG 4.43Å |
| 589 | N | 90.2 | Very high | 81 | Confident | 35 Ų | 35 | 63.7 Ų | 63.7 | 19% | 0.187 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.4 | -28.1 | 178.3 | -81.4 | -64.1 | 0 | 0 | 0 | 113.8 | A585 M586 T587 Q593 | A585-N589 WeakPolarHBondContact O-CB 3.48Å; A585-N589 PolarHBondContact O-N 2.98Å; A585-N589 PolarHBondContact O-ND2 2.92Å; M586-N589 PolarHBondContact O-N 3.14Å; T587-N589 VanDerWaalsContact C-N 3.32Å; T587-N589 PolarHBondContact O-N 3.28Å; N589-Q593 WeakPolarHBondContact O-CB 3.36Å; N589-Q593 WeakPolarHBondContact O-CG 3.45Å; N589-Q593 PolarHBondContact O-N 2.95Å; N589-Q593 PolarHBondContact O-NE2 3.23Å |
| 590 | Q | 87 | Confident | 79.2 | Confident | 93 Ų | 93 | 60.8 Ų | 60.8 | 44% | 0.435 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -73.3 | -45.3 | 174.9 | -73.4 | 171.8 | -21.4 | 0 | 0 | 110.9 | M586 T587 F588 Q593 | M586-Q590 WeakPolarHBondContact O-CG 3.29Å; M586-Q590 PolarHBondContact O-N 2.72Å; T587-Q590 WeakPolarHBondContact O-CB 3.42Å; T587-Q590 PolarHBondContact O-N 3.04Å; F588-Q590 PolarHBondContact O-N 3.47Å; Q590-Q593 PolarHBondContact O-N 3.06Å |
| 591 | V | 84.7 | Confident | 77.8 | Confident | 6 Ų | 6 | 63 Ų | 63 | 4% | 0.036 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.7 | -42.8 | -178.9 | 177.1 | 0 | 0 | 0 | 0 | 111.2 | E554 T587 F588 Q593 T594 K604 A608 | E554-V591 HydrophobicContact CG-CG2 4.39Å; T587-V591 HydrophobicContact CG2-CG2 4.41Å; T587-V591 WeakPolarHBondContact O-CG2 3.4Å; T587-V591 PolarHBondContact O-N 3.48Å; F588-V591 PolarHBondContact O-N 2.89Å; V591-Q593 VanDerWaalsContact C-N 3.33Å; V591-Q593 PolarHBondContact O-N 3.2Å; V591-T594 PolarHBondContact O-OG1 3.42Å; V591-K604 HydrophobicContact CG1-CB 3.77Å; V591-K604 HydrophobicContact CG1-CG 4.3Å; V591-K604 VanDerWaalsContact CG1-O 3.24Å; V591-K604 WeakPolarHBondContact CG1-O 3.25Å; V591-A608 HydrophobicContact CG1-CB 4.05Å |
| 592 | I | 83.7 | Confident | 76.6 | Confident | 33 Ų | 33 | 68.7 Ų | 68.7 | 17% | 0.169 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -73.7 | -19.7 | 179 | 69.5 | 176.7 | 0 | 0 | 0 | 114 | F588 T642 F651 | F588-I592 HydrophobicContact CD1-CD1 4.18Å; F588-I592 HydrophobicContact CD1-CG2 4.39Å; F588-I592 HydrophobicContact CD2-CG2 4.4Å; F588-I592 HydrophobicContact CE1-CD1 3.77Å; F588-I592 HydrophobicContact CE1-CG2 3.98Å; F588-I592 HydrophobicContact CE2-CG2 3.97Å; F588-I592 HydrophobicContact CZ-CD1 4.47Å; F588-I592 HydrophobicContact CZ-CG2 3.74Å; F588-I592 WeakPolarHBondContact O-CG2 3.34Å; F588-I592 PolarHBondContact O-N 2.76Å; I592-T642 HydrophobicContact CD1-CG2 3.79Å; I592-F651 HydrophobicContact CG2-CE2 3.83Å; I592-F651 HydrophobicContact CG2-CZ 4.33Å |
| 593 | Q | 78.7 | Confident | 75.5 | Confident | 144 Ų | 144 | 67.2 Ų | 67.2 | 67% | 0.673 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -81.6 | -19.4 | -178.1 | -82.9 | 177.7 | 26.2 | 0 | 0 | 113.2 | N589 Q590 V591 G595 | N589-Q593 WeakPolarHBondContact O-CB 3.36Å; N589-Q593 WeakPolarHBondContact O-CG 3.45Å; N589-Q593 PolarHBondContact O-N 2.95Å; N589-Q593 PolarHBondContact O-NE2 3.23Å; Q590-Q593 PolarHBondContact O-N 3.06Å; V591-Q593 VanDerWaalsContact C-N 3.33Å; V591-Q593 PolarHBondContact O-N 3.2Å; Q593-G595 PolarHBondContact O-N 2.8Å |
| 594 | T | 67.2 | Low | 74.8 | Confident | 48 Ų | 48 | 67 Ų | 67 | 29% | 0.294 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -74.2 | 112.4 | 168.9 | 48.2 | 0 | 0 | 0 | 0 | 108.5 | V591 K604 | V591-T594 PolarHBondContact O-OG1 3.42Å; T594-K604 WeakPolarHBondContact OG1-CD 3.15Å; T594-K604 PolarHBondContact OG1-NZ 3.49Å |
| 595 | G | 54.6 | Low | 74.3 | Confident | 36 Ų | 36 | 67.7 Ų | 67.7 | 37% | 0.371 | 37% | 0.369 | S | S | . | . | trans | -65.8 | 162.4 | -165.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q593 D597 E598 | Q593-G595 PolarHBondContact O-N 2.8Å; G595-D597 PolarHBondContact O-N 3.28Å; G595-E598 PolarHBondContact O-N 3.1Å | ||
| 596 | P | 55.4 | Low | 73.8 | Confident | 114 Ų | 114 | 70.8 Ų | 70.8 | 74% | 0.74 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -9.7 | -176.6 | 26.3 | -35.3 | 0 | 0 | 0 | 114.6 | E598 | P596-E598 VanDerWaalsContact C-N 3.32Š|
| 597 | D | 50 | Low | 73.6 | Confident | 166 Ų | 166 | 65.2 Ų | 65.2 | 89% | 0.888 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -2.7 | 179.1 | -67.7 | -37 | 0 | 0 | 0 | 113.3 | G595 | G595-D597 PolarHBondContact O-N 3.28Š|
| 598 | E | 52.6 | Low | 73.5 | Confident | 104 Ų | 104 | 65.1 Ų | 65.1 | 49% | 0.486 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -85 | 135.1 | 174.3 | -71.4 | -173.1 | 171.2 | 0 | 0 | 111.6 | G595 P596 G600 S601 K604 | G595-E598 PolarHBondContact O-N 3.1Å; P596-E598 VanDerWaalsContact C-N 3.32Å; E598-G600 PolarHBondContact O-N 3.5Å; E598-S601 PolarHBondContact O-N 3.29Å; E598-K604 IonicContact OE2-NZ 2.64Å; E598-K604 PolarHBondContact OE2-NZ 3.43Å; E598-K604 VanDerWaalsContact OE2-NZ 3.08Å |
| 599 | E | 51.2 | Low | 73.4 | Confident | 200 Ų | 200 | 67.8 Ų | 67.8 | 94% | 0.935 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 121.8 | 171.8 | -72.8 | 177.9 | 165 | 0 | 0 | 109.7 | ||
| 600 | G | 58 | Low | 73.6 | Confident | 23 Ų | 23 | 66.5 Ų | 66.5 | 24% | 0.237 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 104.1 | 17.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | E598 D602 D603 K604 | E598-G600 PolarHBondContact O-N 3.5Å; G600-D602 PolarHBondContact O-N 3.28Å; G600-D603 PolarHBondContact O-N 3.27Å; G600-K604 PolarHBondContact O-N 3.07Å |
| 601 | S | 64.4 | Low | 73.9 | Confident | 49 Ų | 49 | 62.1 Ų | 62.1 | 34% | 0.343 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -50.2 | -38.6 | 173.8 | 56.7 | 0 | 0 | 0 | 0 | 113.5 | E598 K604 A605 | E598-S601 PolarHBondContact O-N 3.29Å; S601-K604 PolarHBondContact O-N 3.38Å; S601-A605 PolarHBondContact O-N 2.84Å |
| 602 | D | 70.2 | Confident | 74.5 | Confident | 122 Ų | 122 | 61.8 Ų | 61.8 | 65% | 0.652 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -69.3 | -43.9 | -174.5 | -60.1 | -3.5 | 0 | 0 | 0 | 111 | G600 K604 A605 V606 | G600-D602 PolarHBondContact O-N 3.28Å; D602-K604 VanDerWaalsContact C-N 3.27Å; D602-K604 PolarHBondContact O-N 3.05Å; D602-A605 WeakPolarHBondContact O-CB 3.39Å; D602-A605 PolarHBondContact O-N 3.12Å; D602-A605 VanDerWaalsContact O-N 3.13Å; D602-V606 WeakPolarHBondContact O-CG2 3.42Å; D602-V606 PolarHBondContact O-N 3.42Å |
| 603 | D | 73 | Confident | 75 | Confident | 66 Ų | 66 | 63.5 Ų | 63.5 | 35% | 0.353 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.3 | -38.7 | 176.6 | -62.3 | -4.1 | 0 | 0 | 0 | 111.3 | R377 G600 V606 T607 | R377-D603 IonicContact CZ-OD2 3.95Å; R377-D603 IonicContact NE-OD2 3Å; R377-D603 PolarHBondContact NE-OD2 3.11Å; R377-D603 IonicContact NH2-OD2 3.37Å; R377-D603 PolarHBondContact NH2-OD2 3.15Å; G600-D603 PolarHBondContact O-N 3.27Å; D603-V606 PolarHBondContact O-N 3Å; D603-T607 PolarHBondContact O-N 3.36Å; D603-T607 PolarHBondContact O-OG1 2.85Å |
| 604 | K | 79.9 | Confident | 75.8 | Confident | 39 Ų | 39 | 56.7 Ų | 56.7 | 17% | 0.17 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.4 | -38.4 | 176.1 | -72.3 | -174.6 | 177.8 | -178.8 | 0 | 112.2 | E554 V591 T594 E598 G600 S601 D602 T607 A608 | E554-K604 WeakPolarHBondContact OE2-CE 3.36Å; V591-K604 HydrophobicContact CG1-CB 3.77Å; V591-K604 HydrophobicContact CG1-CG 4.3Å; V591-K604 VanDerWaalsContact CG1-O 3.24Å; V591-K604 WeakPolarHBondContact CG1-O 3.25Å; T594-K604 WeakPolarHBondContact OG1-CD 3.15Å; T594-K604 PolarHBondContact OG1-NZ 3.49Å; E598-K604 IonicContact OE2-NZ 2.64Å; E598-K604 PolarHBondContact OE2-NZ 3.43Å; E598-K604 VanDerWaalsContact OE2-NZ 3.08Å; G600-K604 PolarHBondContact O-N 3.07Å; S601-K604 PolarHBondContact O-N 3.38Å; D602-K604 VanDerWaalsContact C-N 3.27Å; D602-K604 PolarHBondContact O-N 3.05Å; K604-T607 PolarHBondContact O-N 2.93Å; K604-A608 VanDerWaalsContact O-CB 3.32Å; K604-A608 WeakPolarHBondContact O-CB 3.38Å; K604-A608 PolarHBondContact O-N 3.01Å |
| 605 | A | 84.8 | Confident | 77.2 | Confident | 15 Ų | 15 | 54.4 Ų | 54.4 | 12% | 0.124 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | S601 D602 T607 A608 M609 | S601-A605 PolarHBondContact O-N 2.84Å; D602-A605 WeakPolarHBondContact O-CB 3.39Å; D602-A605 PolarHBondContact O-N 3.12Å; D602-A605 VanDerWaalsContact O-N 3.13Å; A605-T607 PolarHBondContact O-N 3.23Å; A605-A608 PolarHBondContact O-N 3.21Å; A605-M609 WeakPolarHBondContact O-CG 3.48Å; A605-M609 PolarHBondContact O-N 3.01Å |
| 606 | V | 86.3 | Confident | 79.1 | Confident | 72 Ų | 72 | 54 Ų | 54 | 44% | 0.436 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.2 | -47.3 | 176 | 177.3 | 0 | 0 | 0 | 0 | 111.1 | D556 D602 D603 A608 M609 G610 | D556-V606 HydrophobicContact CB-CG1 3.83Å; D602-V606 WeakPolarHBondContact O-CG2 3.42Å; D602-V606 PolarHBondContact O-N 3.42Å; D603-V606 PolarHBondContact O-N 3Å; V606-A608 VanDerWaalsContact C-N 3.34Å; V606-A608 PolarHBondContact O-N 3.17Å; V606-M609 PolarHBondContact O-N 3.06Å; V606-G610 PolarHBondContact O-N 3.41Å |
| 607 | T | 87.5 | Confident | 81 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.012 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.7 | -39 | 176.9 | -65.2 | 0 | 0 | 0 | 0 | 112.2 | E554 D603 K604 A605 G610 I611 | E554-T607 HydrophobicContact CB-CG2 4.34Å; E554-T607 PolarHBondContact O-OG1 3.25Å; D603-T607 PolarHBondContact O-N 3.36Å; D603-T607 PolarHBondContact O-OG1 2.85Å; K604-T607 PolarHBondContact O-N 2.93Å; A605-T607 PolarHBondContact O-N 3.23Å; T607-G610 PolarHBondContact O-N 3.18Å; T607-I611 HydrophobicContact CG2-CD1 4.15Å; T607-I611 VanDerWaalsContact O-CG1 3.28Å; T607-I611 WeakPolarHBondContact O-CG1 3.19Å; T607-I611 PolarHBondContact O-N 3.32Å |
| 608 | A | 91 | Very high | 83.1 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.2 | -43 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F588 V591 K604 A605 V606 I611 L612 F651 | F588-A608 HydrophobicContact CD2-CB 3.99Å; F588-A608 HydrophobicContact CE2-CB 3.92Å; V591-A608 HydrophobicContact CG1-CB 4.05Å; K604-A608 VanDerWaalsContact O-CB 3.32Å; K604-A608 WeakPolarHBondContact O-CB 3.38Å; K604-A608 PolarHBondContact O-N 3.01Å; A605-A608 PolarHBondContact O-N 3.21Å; V606-A608 VanDerWaalsContact C-N 3.34Å; V606-A608 PolarHBondContact O-N 3.17Å; A608-I611 WeakPolarHBondContact O-CB 3.45Å; A608-I611 PolarHBondContact O-N 2.97Å; A608-L612 WeakPolarHBondContact O-CG 3.31Å; A608-L612 PolarHBondContact O-N 3.48Å; A608-L612 VanDerWaalsContact O-N 3.08Å; A608-F651 HydrophobicContact CB-CE1 3.61Å; A608-F651 HydrophobicContact CB-CZ 3.55Å |
| 609 | M | 91.7 | Very high | 85.1 | Confident | 57 Ų | 57 | 37.3 Ų | 37.3 | 28% | 0.281 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.7 | -47.4 | 172.3 | -69.7 | 167.9 | 176.5 | 0 | 0 | 111 | A605 V606 I611 L612 N613 E650 F651 | A605-M609 WeakPolarHBondContact O-CG 3.48Å; A605-M609 PolarHBondContact O-N 3.01Å; V606-M609 PolarHBondContact O-N 3.06Å; M609-I611 VanDerWaalsContact C-N 3.25Å; M609-I611 PolarHBondContact O-N 3.38Å; M609-L612 PolarHBondContact O-N 3.44Å; M609-N613 PolarHBondContact O-N 2.74Å; M609-E650 WeakPolarHBondContact CE-O 3.5Å; M609-F651 HydrophobicContact CE-CD1 4.46Å; M609-F651 HydrophobicContact CE-CE1 4.43Å; M609-F651 HydrophobicContact CG-CD1 3.95Å; M609-F651 HydrophobicContact CG-CE1 3.87Å |
| 610 | G | 92.9 | Very high | 87 | Confident | 8 Ų | 8 | 30.8 Ų | 30.8 | 8% | 0.082 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.5 | -36.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q563 V606 T607 T614 | Q563-G610 PolarHBondContact NE2-O 3.14Å; V606-G610 PolarHBondContact O-N 3.41Å; T607-G610 PolarHBondContact O-N 3.18Å; G610-T614 WeakPolarHBondContact O-CB 3.26Å; G610-T614 PolarHBondContact O-N 3.08Å; G610-T614 PolarHBondContact O-OG1 2.88Å |
| 611 | I | 95.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.4 | -44.5 | 174.1 | -69.4 | 164.1 | 0 | 0 | 0 | 111.5 | I550 T559 L584 T587 F588 T607 A608 M609 T614 I615 | I550-I611 HydrophobicContact CG2-CD1 4.42Å; I550-I611 HydrophobicContact CG2-CG1 4.42Å; T559-I611 HydrophobicContact CG2-CG1 4.27Å; L584-I611 HydrophobicContact CB-CG2 3.95Å; L584-I611 HydrophobicContact CD2-CG2 4.14Å; L584-I611 WeakPolarHBondContact O-CG2 3.23Å; T587-I611 HydrophobicContact CG2-CD1 3.72Å; F588-I611 HydrophobicContact CB-CG2 3.95Å; T607-I611 HydrophobicContact CG2-CD1 4.15Å; T607-I611 VanDerWaalsContact O-CG1 3.28Å; T607-I611 WeakPolarHBondContact O-CG1 3.19Å; T607-I611 PolarHBondContact O-N 3.32Å; A608-I611 WeakPolarHBondContact O-CB 3.45Å; A608-I611 PolarHBondContact O-N 2.97Å; M609-I611 VanDerWaalsContact C-N 3.25Å; M609-I611 PolarHBondContact O-N 3.38Å; I611-T614 WeakPolarHBondContact O-CB 3.49Å; I611-T614 PolarHBondContact O-N 3.47Å; I611-I615 HydrophobicContact CG2-CD1 4.35Å; I611-I615 WeakPolarHBondContact O-CG1 2.95Å; I611-I615 PolarHBondContact O-N 2.83Å |
| 612 | L | 95.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.9 | -45.2 | 178.1 | -65.4 | 178.5 | 0 | 0 | 0 | 111.4 | F588 A608 M609 T614 I615 D616 V639 F651 E654 I655 L658 | F588-L612 HydrophobicContact CD2-CD1 4.41Å; F588-L612 HydrophobicContact CD2-CD2 3.82Å; F588-L612 HydrophobicContact CD2-CG 3.91Å; F588-L612 HydrophobicContact CE2-CD1 3.64Å; F588-L612 HydrophobicContact CE2-CD2 3.72Å; F588-L612 HydrophobicContact CE2-CG 3.64Å; F588-L612 HydrophobicContact CG-CD2 4.29Å; F588-L612 HydrophobicContact CZ-CD1 4.08Å; F588-L612 HydrophobicContact CZ-CD2 4.09Å; F588-L612 HydrophobicContact CZ-CG 4.35Å; A608-L612 WeakPolarHBondContact O-CG 3.31Å; A608-L612 PolarHBondContact O-N 3.48Å; A608-L612 VanDerWaalsContact O-N 3.08Å; M609-L612 PolarHBondContact O-N 3.44Å; L612-T614 PolarHBondContact O-N 2.85Å; L612-I615 WeakPolarHBondContact O-CA 3.42Å; L612-I615 WeakPolarHBondContact O-CB 3.31Å; L612-I615 PolarHBondContact O-N 3.24Å; L612-D616 PolarHBondContact O-N 3.33Å; L612-V639 HydrophobicContact CD2-CG1 3.54Å; L612-F651 HydrophobicContact CD1-CB 4.07Å; L612-F651 HydrophobicContact CD1-CD1 4.16Å; L612-F651 HydrophobicContact CD1-CG 4.29Å; L612-E654 HydrophobicContact CB-CB 3.9Å; L612-E654 HydrophobicContact CB-CG 4.32Å; L612-E654 HydrophobicContact CD1-CB 3.57Å; L612-E654 HydrophobicContact CD1-CG 4.23Å; L612-E654 HydrophobicContact CG-CB 4.38Å; L612-I655 HydrophobicContact CD1-CG2 4.45Å; L612-L658 HydrophobicContact CB-CD1 4.38Å; L612-L658 HydrophobicContact CD2-CD1 3.92Å |
| 613 | N | 94.9 | Very high | 90.7 | Very high | 69 Ų | 69 | 28.1 Ų | 28.1 | 37% | 0.369 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -61.6 | -33.2 | 175.5 | -67.7 | -16.3 | 0 | 0 | 0 | 112.2 | M609 D616 T617 | M609-N613 PolarHBondContact O-N 2.74Å; N613-D616 PolarHBondContact O-N 3.27Å; N613-T617 PolarHBondContact O-N 3.1Å; N613-T617 PolarHBondContact O-OG1 3.45Å |
| 614 | T | 95.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.6 | -38.2 | 173.4 | -54.1 | 0 | 0 | 0 | 0 | 112.2 | I562 Q563 I566 L584 G610 I611 L612 D616 L618 | I562-T614 HydrophobicContact CB-CG2 4.17Å; I562-T614 HydrophobicContact CG2-CG2 3.47Å; I562-T614 VanDerWaalsContact CG2-CG2 3.47Å; Q563-T614 HydrophobicContact CG-CG2 4.13Å; Q563-T614 PolarHBondContact NE2-OG1 3.44Å; I566-T614 HydrophobicContact CD1-CG2 3.87Å; L584-T614 HydrophobicContact CD1-CG2 3.72Å; L584-T614 HydrophobicContact CD2-CG2 4.39Å; G610-T614 WeakPolarHBondContact O-CB 3.26Å; G610-T614 PolarHBondContact O-N 3.08Å; G610-T614 PolarHBondContact O-OG1 2.88Å; I611-T614 WeakPolarHBondContact O-CB 3.49Å; I611-T614 PolarHBondContact O-N 3.47Å; L612-T614 PolarHBondContact O-N 2.85Å; T614-D616 VanDerWaalsContact C-N 3.34Å; T614-L618 PolarHBondContact O-N 3.15Å; T614-L618 VanDerWaalsContact O-N 3.08Å |
| 615 | I | 96.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.4 | -40.5 | 173.7 | -65.5 | 170.7 | 0 | 0 | 0 | 110.1 | T581 L584 I611 L612 L618 L619 L658 | T581-I615 HydrophobicContact CG2-CG1 4.38Å; T581-I615 HydrophobicContact CG2-CG2 3.98Å; L584-I615 HydrophobicContact CB-CD1 4.03Å; L584-I615 HydrophobicContact CB-CG1 3.87Å; L584-I615 HydrophobicContact CD1-CG1 3.95Å; I611-I615 HydrophobicContact CG2-CD1 4.35Å; I611-I615 WeakPolarHBondContact O-CG1 2.95Å; I611-I615 PolarHBondContact O-N 2.83Å; L612-I615 WeakPolarHBondContact O-CA 3.42Å; L612-I615 WeakPolarHBondContact O-CB 3.31Å; L612-I615 PolarHBondContact O-N 3.24Å; I615-L618 WeakPolarHBondContact O-CB 3.43Å; I615-L618 PolarHBondContact O-N 2.95Å; I615-L619 WeakPolarHBondContact O-CG 3.5Å; I615-L619 PolarHBondContact O-N 3.39Å; I615-L658 HydrophobicContact CB-CD2 4.17Å; I615-L658 HydrophobicContact CG2-CD2 3.76Å |
| 616 | D | 95.3 | Very high | 92 | Very high | 27 Ų | 27 | 39.8 Ų | 39.8 | 14% | 0.144 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.1 | -40.5 | 179 | -157.4 | 33.1 | 0 | 0 | 0 | 112.1 | L612 N613 T614 L618 L619 S620 S657 L658 S661 | L612-D616 PolarHBondContact O-N 3.33Å; N613-D616 PolarHBondContact O-N 3.27Å; T614-D616 VanDerWaalsContact C-N 3.34Å; D616-L618 VanDerWaalsContact C-N 3.32Å; D616-L618 PolarHBondContact O-N 3.4Å; D616-L619 WeakPolarHBondContact O-CB 3.13Å; D616-L619 PolarHBondContact O-N 3.26Å; D616-L619 VanDerWaalsContact O-N 3.15Å; D616-S620 PolarHBondContact O-N 3.23Å; D616-S620 PolarHBondContact O-OG 3.34Å; D616-S657 PolarHBondContact OD2-OG 2.96Å; D616-S657 VanDerWaalsContact OD2-OG 3.09Å; D616-L658 HydrophobicContact CB-CD2 3.69Å; D616-S661 VanDerWaalsContact OD1-CB 3.32Å; D616-S661 WeakPolarHBondContact OD1-CB 3.49Å; D616-S661 PolarHBondContact OD1-OG 3.06Å |
| 617 | T | 94.8 | Very high | 92.1 | Very high | 27 Ų | 27 | 44.1 Ų | 44.1 | 17% | 0.166 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.7 | -42.1 | 171.8 | -56.5 | 0 | 0 | 0 | 0 | 111.4 | Q563 I566 N613 S620 V621 | Q563-T617 HydrophobicContact CB-CG2 4.36Å; Q563-T617 HydrophobicContact CG-CG2 4.46Å; I566-T617 HydrophobicContact CB-CG2 4.4Å; I566-T617 HydrophobicContact CG2-CG2 4.14Å; N613-T617 PolarHBondContact O-N 3.1Å; N613-T617 PolarHBondContact O-OG1 3.45Å; T617-S620 PolarHBondContact O-N 3.08Å; T617-V621 WeakPolarHBondContact O-CG2 3.33Å; T617-V621 PolarHBondContact O-N 3.44Å; T617-V621 VanDerWaalsContact O-N 3.08Å |
| 618 | L | 94.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.6 | -41.1 | 174.4 | -78.7 | 170 | 0 | 0 | 0 | 112.3 | I566 V573 M580 L584 T614 I615 D616 V622 | I566-L618 HydrophobicContact CB-CD2 4.46Å; I566-L618 HydrophobicContact CD1-CD1 4.31Å; I566-L618 HydrophobicContact CD1-CD2 3.59Å; I566-L618 HydrophobicContact CD1-CG 3.58Å; I566-L618 HydrophobicContact CG1-CD2 3.74Å; I566-L618 HydrophobicContact CG1-CG 4.3Å; I566-L618 HydrophobicContact CG2-CD2 3.84Å; I566-L618 HydrophobicContact CG2-CG 4.48Å; V573-L618 HydrophobicContact CG1-CD2 3.69Å; M580-L618 HydrophobicContact CB-CD1 4.21Å; M580-L618 HydrophobicContact CE-CD1 4.36Å; M580-L618 HydrophobicContact CE-CD2 4.16Å; L584-L618 HydrophobicContact CD1-CD1 3.75Å; T614-L618 PolarHBondContact O-N 3.15Å; T614-L618 VanDerWaalsContact O-N 3.08Å; I615-L618 WeakPolarHBondContact O-CB 3.43Å; I615-L618 PolarHBondContact O-N 2.95Å; D616-L618 VanDerWaalsContact C-N 3.32Å; D616-L618 PolarHBondContact O-N 3.4Å; L618-V622 WeakPolarHBondContact O-CG2 3.35Å; L618-V622 PolarHBondContact O-N 3.07Å |
| 619 | L | 93.7 | Very high | 92.3 | Very high | 7 Ų | 7 | 46.9 Ų | 46.9 | 4% | 0.037 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.5 | -43.3 | 177.8 | -73.3 | 175 | 0 | 0 | 0 | 111.5 | I615 D616 V622 E623 L632 L658 L662 | I615-L619 WeakPolarHBondContact O-CG 3.5Å; I615-L619 PolarHBondContact O-N 3.39Å; D616-L619 WeakPolarHBondContact O-CB 3.13Å; D616-L619 PolarHBondContact O-N 3.26Å; D616-L619 VanDerWaalsContact O-N 3.15Å; L619-V622 PolarHBondContact O-N 3.35Å; L619-E623 PolarHBondContact O-N 2.91Å; L619-L632 HydrophobicContact CD2-CB 3.74Å; L619-L632 HydrophobicContact CD2-CD1 3.85Å; L619-L632 HydrophobicContact CD2-CG 4.46Å; L619-L658 HydrophobicContact CD1-CD2 3.75Å; L619-L662 HydrophobicContact CD1-CD2 4.03Å; L619-L662 HydrophobicContact CD1-CG 4.03Å; L619-L662 HydrophobicContact CD2-CD2 3.72Å |
| 620 | S | 91.7 | Very high | 92.2 | Very high | 63 Ų | 63 | 50.8 Ų | 50.8 | 44% | 0.441 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 178.3 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | D616 T617 V622 E623 | D616-S620 PolarHBondContact O-N 3.23Å; D616-S620 PolarHBondContact O-OG 3.34Å; T617-S620 PolarHBondContact O-N 3.08Å; S620-V622 VanDerWaalsContact C-N 3.31Å; S620-V622 PolarHBondContact O-N 3.16Å; S620-E623 PolarHBondContact O-N 2.99Å |
| 621 | V | 91.1 | Very high | 92.2 | Very high | 39 Ų | 39 | 55.4 Ų | 55.4 | 24% | 0.236 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.8 | -27.5 | -179.6 | 168.5 | 0 | 0 | 0 | 0 | 113.4 | I566 T617 | I566-V621 HydrophobicContact CG2-CB 4.11Å; I566-V621 HydrophobicContact CG2-CG1 4.31Å; I566-V621 HydrophobicContact CG2-CG2 3.87Å; T617-V621 WeakPolarHBondContact O-CG2 3.33Å; T617-V621 PolarHBondContact O-N 3.44Å; T617-V621 VanDerWaalsContact O-N 3.08Å |
| 622 | V | 91.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | 14.4 | -179.9 | -56.9 | 0 | 0 | 0 | 0 | 113.7 | T574 A577 L618 L619 S620 D624 H625 I628 T629 L632 | T574-V622 HydrophobicContact CG2-CG1 4.46Å; A577-V622 HydrophobicContact CB-CG1 4.03Å; L618-V622 WeakPolarHBondContact O-CG2 3.35Å; L618-V622 PolarHBondContact O-N 3.07Å; L619-V622 PolarHBondContact O-N 3.35Å; S620-V622 VanDerWaalsContact C-N 3.31Å; S620-V622 PolarHBondContact O-N 3.16Å; V622-D624 PolarHBondContact O-N 3.26Å; V622-H625 PolarHBondContact O-N 3.1Å; V622-I628 HydrophobicContact CB-CG2 4.29Å; V622-I628 HydrophobicContact CG1-CG2 4.4Å; V622-I628 HydrophobicContact CG2-CG2 4.28Å; V622-T629 PolarHBondContact O-OG1 3.05Å; V622-L632 HydrophobicContact CG2-CD1 3.54Å |
| 623 | E | 87.3 | Confident | 92.1 | Very high | 98 Ų | 98 | 56.3 Ų | 56.3 | 46% | 0.458 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -33.8 | -173.7 | 77.7 | 159.8 | -114.1 | 0 | 0 | 113.4 | L619 S620 H625 Q665 | L619-E623 PolarHBondContact O-N 2.91Å; S620-E623 PolarHBondContact O-N 2.99Å; E623-H625 PolarHBondContact O-N 3.18Å; E623-Q665 PolarHBondContact O-NE2 2.82Å; E623-Q665 PolarHBondContact OE1-NE2 3.45Å; E623-Q665 VanDerWaalsContact OE1-NE2 3.14Å |
| 624 | D | 87.4 | Confident | 92 | Very high | 134 Ų | 134 | 54.3 Ų | 54.3 | 72% | 0.717 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -11.7 | 178.7 | -75.8 | -38.6 | 0 | 0 | 0 | 113.3 | V622 | V622-D624 PolarHBondContact O-N 3.26Š|
| 625 | H | 89.9 | Confident | 92 | Very high | 88 Ų | 88 | 55 Ų | 55 | 41% | 0.407 | 28% | 0.282 | S | S | . | . | trans | -104 | 70.3 | -174.1 | -66.3 | -70.3 | 0 | 0 | 0 | 112.9 | V622 E623 E627 I628 T629 | V622-H625 PolarHBondContact O-N 3.1Å; E623-H625 PolarHBondContact O-N 3.18Å; H625-E627 VanDerWaalsContact C-N 3.29Å; H625-E627 PolarHBondContact O-N 3.22Å; H625-I628 HydrophobicContact CB-CB 4.11Å; H625-I628 HydrophobicContact CB-CD1 3.99Å; H625-I628 HydrophobicContact CB-CG1 4.28Å; H625-I628 WeakPolarHBondContact O-CA 3.23Å; H625-I628 WeakPolarHBondContact O-CB 3.25Å; H625-I628 PolarHBondContact O-N 2.99Å; H625-T629 PolarHBondContact O-N 3.04Å; H625-T629 PolarHBondContact O-OG1 3.31Å; H625-T629 VanDerWaalsContact O-OG1 3.09Å | ||
| 626 | K | 87.5 | Confident | 92 | Very high | 143 Ų | 143 | 55 Ų | 55 | 62% | 0.622 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -44.1 | -42.2 | -175.2 | -60.9 | -169.1 | 177.7 | -166 | 0 | 116.6 | I628 Q630 | K626-I628 VanDerWaalsContact C-N 3.29Å; K626-I628 PolarHBondContact O-N 2.79Å; K626-Q630 WeakPolarHBondContact O-CB 3.39Å; K626-Q630 PolarHBondContact O-N 3.43Å |
| 627 | E | 88.9 | Confident | 91.9 | Very high | 163 Ų | 163 | 55.3 Ų | 55.3 | 76% | 0.762 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -67.4 | -29.9 | 179.5 | -67.9 | -173.8 | 176.5 | 0 | 0 | 113 | H625 Q631 | H625-E627 VanDerWaalsContact C-N 3.29Å; H625-E627 PolarHBondContact O-N 3.22Å; E627-Q631 PolarHBondContact O-NE2 2.86Å |
| 628 | I | 91.7 | Very high | 91.8 | Very high | 30 Ų | 30 | 60.3 Ų | 60.3 | 15% | 0.154 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -80.3 | -48.8 | 177.1 | -63.3 | 175.8 | 0 | 0 | 0 | 108.7 | T574 A577 V578 V622 H625 K626 Q630 Q631 L632 | T574-I628 HydrophobicContact CG2-CD1 3.33Å; A577-I628 HydrophobicContact CB-CG2 4.21Å; V578-I628 HydrophobicContact CG2-CG2 4.19Å; V622-I628 HydrophobicContact CB-CG2 4.29Å; V622-I628 HydrophobicContact CG1-CG2 4.4Å; V622-I628 HydrophobicContact CG2-CG2 4.28Å; H625-I628 HydrophobicContact CB-CB 4.11Å; H625-I628 HydrophobicContact CB-CD1 3.99Å; H625-I628 HydrophobicContact CB-CG1 4.28Å; H625-I628 WeakPolarHBondContact O-CA 3.23Å; H625-I628 WeakPolarHBondContact O-CB 3.25Å; H625-I628 PolarHBondContact O-N 2.99Å; K626-I628 VanDerWaalsContact C-N 3.29Å; K626-I628 PolarHBondContact O-N 2.79Å; I628-Q630 PolarHBondContact O-N 3.1Å; I628-Q631 WeakPolarHBondContact O-CA 3.35Å; I628-Q631 WeakPolarHBondContact O-CB 3.35Å; I628-Q631 PolarHBondContact O-N 2.75Å; I628-L632 HydrophobicContact CG2-CD1 4.22Å; I628-L632 HydrophobicContact CG2-CG 4.24Å; I628-L632 WeakPolarHBondContact O-CG 3.42Å; I628-L632 PolarHBondContact O-N 3.02Å |
| 629 | T | 90.3 | Very high | 91.8 | Very high | 31 Ų | 31 | 60.4 Ų | 60.4 | 19% | 0.19 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -53.4 | -41.7 | 176.8 | -37.6 | 0 | 0 | 0 | 0 | 111.6 | V622 H625 Q631 L632 E633 | V622-T629 PolarHBondContact O-OG1 3.05Å; H625-T629 PolarHBondContact O-N 3.04Å; H625-T629 PolarHBondContact O-OG1 3.31Å; H625-T629 VanDerWaalsContact O-OG1 3.09Å; T629-Q631 VanDerWaalsContact C-N 3.31Å; T629-Q631 PolarHBondContact O-N 3.11Å; T629-L632 PolarHBondContact O-N 3.11Å; T629-E633 PolarHBondContact O-N 3.13Å |
| 630 | Q | 90.2 | Very high | 91.8 | Very high | 139 Ų | 139 | 60.2 Ų | 60.2 | 65% | 0.65 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -64 | -32.5 | 176.3 | -172.3 | 174.7 | 31.6 | 0 | 0 | 113.6 | K626 I628 | K626-Q630 WeakPolarHBondContact O-CB 3.39Å; K626-Q630 PolarHBondContact O-N 3.43Å; I628-Q630 PolarHBondContact O-N 3.1Å |
| 631 | Q | 92.7 | Very high | 91.9 | Very high | 105 Ų | 105 | 57.7 Ų | 57.7 | 49% | 0.491 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -75.2 | -37.2 | 174.7 | -72 | 173.1 | 68.7 | 0 | 0 | 111.5 | V578 E627 I628 T629 G634 | V578-Q631 HydrophobicContact CG1-CB 4.38Å; V578-Q631 HydrophobicContact CG2-CB 3.93Å; E627-Q631 PolarHBondContact O-NE2 2.86Å; I628-Q631 WeakPolarHBondContact O-CA 3.35Å; I628-Q631 WeakPolarHBondContact O-CB 3.35Å; I628-Q631 PolarHBondContact O-N 2.75Å; T629-Q631 VanDerWaalsContact C-N 3.31Å; T629-Q631 PolarHBondContact O-N 3.11Å; Q631-G634 PolarHBondContact O-N 3.37Å |
| 632 | L | 94 | Very high | 91.8 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.7 | -40.6 | 176.1 | -61.8 | -170.4 | 0 | 0 | 0 | 111.7 | V578 T581 L619 V622 I628 T629 G634 I635 C636 | V578-L632 HydrophobicContact CB-CD2 4.34Å; V578-L632 HydrophobicContact CG2-CD2 4.03Å; T581-L632 HydrophobicContact CG2-CD2 4.08Å; T581-L632 VanDerWaalsContact OG1-CD2 3.31Å; T581-L632 WeakPolarHBondContact OG1-CD2 3.4Å; L619-L632 HydrophobicContact CD2-CB 3.74Å; L619-L632 HydrophobicContact CD2-CD1 3.85Å; L619-L632 HydrophobicContact CD2-CG 4.46Å; V622-L632 HydrophobicContact CG2-CD1 3.54Å; I628-L632 HydrophobicContact CG2-CD1 4.22Å; I628-L632 HydrophobicContact CG2-CG 4.24Å; I628-L632 WeakPolarHBondContact O-CG 3.42Å; I628-L632 PolarHBondContact O-N 3.02Å; T629-L632 PolarHBondContact O-N 3.11Å; L632-G634 PolarHBondContact O-N 2.92Å; L632-I635 HydrophobicContact CD2-CD1 4.19Å; L632-I635 WeakPolarHBondContact O-CA 3.47Å; L632-I635 WeakPolarHBondContact O-CB 3.26Å; L632-I635 PolarHBondContact O-N 3.5Å; L632-C636 PolarHBondContact O-N 3.44Å; L632-C636 PolarHBondContact O-SG 3.33Å; L632-C636 VanDerWaalsContact O-SG 3.34Å |
| 633 | E | 94.6 | Very high | 91.8 | Very high | 19 Ų | 19 | 57.2 Ų | 57.2 | 9% | 0.089 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -49.4 | -46.5 | 175.1 | -172.1 | -166.9 | 125.1 | 0 | 0 | 111.6 | T629 I635 C636 L637 L662 S668 M671 | T629-E633 PolarHBondContact O-N 3.13Å; E633-I635 VanDerWaalsContact C-N 3.27Å; E633-I635 PolarHBondContact O-N 2.7Å; E633-C636 PolarHBondContact O-N 2.85Å; E633-L637 HydrophobicContact CG-CD1 4.08Å; E633-L637 HydrophobicContact CG-CG 4.46Å; E633-L637 WeakPolarHBondContact O-CB 3.48Å; E633-L637 VanDerWaalsContact O-CG 3.29Å; E633-L637 WeakPolarHBondContact O-CG 3.22Å; E633-L637 PolarHBondContact O-N 3.41Å; E633-L662 HydrophobicContact CB-CD2 4.02Å; E633-L662 HydrophobicContact CG-CD1 4.43Å; E633-L662 HydrophobicContact CG-CD2 4.3Å; E633-S668 VanDerWaalsContact CD-OG 3.28Å; E633-S668 VanDerWaalsContact OE1-CB 3.27Å; E633-S668 WeakPolarHBondContact OE1-CB 3.35Å; E633-S668 PolarHBondContact OE1-OG 3.4Å; E633-S668 WeakPolarHBondContact OE2-CB 3.35Å; E633-S668 PolarHBondContact OE2-OG 3.36Å; E633-M671 HydrophobicContact CG-CG 4.39Å; E633-M671 HydrophobicContact CG-SD 4.18Å |
| 634 | G | 93.5 | Very high | 92 | Very high | 27 Ų | 27 | 52.8 Ų | 52.8 | 28% | 0.278 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.7 | -27.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q631 L632 | Q631-G634 PolarHBondContact O-N 3.37Å; L632-G634 PolarHBondContact O-N 2.92Å |
| 635 | I | 95.1 | Very high | 92 | Very high | 13 Ų | 13 | 52.9 Ų | 52.9 | 7% | 0.067 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -81.3 | -48.2 | 176.3 | -59.3 | 157.3 | 0 | 0 | 0 | 109.5 | V578 T581 Q582 A585 L632 E633 L637 Q638 V639 | V578-I635 HydrophobicContact CG1-CD1 4.07Å; T581-I635 HydrophobicContact CG2-CB 4.27Å; T581-I635 HydrophobicContact CG2-CD1 4.36Å; T581-I635 HydrophobicContact CG2-CG2 3.91Å; Q582-I635 HydrophobicContact CG-CD1 3.47Å; Q582-I635 VanDerWaalsContact CG-CD1 3.47Å; Q582-I635 HydrophobicContact CG-CG1 3.97Å; A585-I635 HydrophobicContact CB-CG2 3.63Å; L632-I635 HydrophobicContact CD2-CD1 4.19Å; L632-I635 WeakPolarHBondContact O-CA 3.47Å; L632-I635 WeakPolarHBondContact O-CB 3.26Å; L632-I635 PolarHBondContact O-N 3.5Å; E633-I635 VanDerWaalsContact C-N 3.27Å; E633-I635 PolarHBondContact O-N 2.7Å; I635-L637 VanDerWaalsContact C-N 3.3Å; I635-L637 PolarHBondContact O-N 3.16Å; I635-Q638 WeakPolarHBondContact O-CB 3.41Å; I635-Q638 PolarHBondContact O-N 2.97Å; I635-V639 PolarHBondContact O-N 2.82Å |
| 636 | C | 95.5 | Very high | 91.9 | Very high | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.014 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.9 | -39 | 178.5 | -64 | 0 | 0 | 0 | 0 | 111.8 | L632 E633 Q638 V639 I640 L662 | L632-C636 PolarHBondContact O-N 3.44Å; L632-C636 PolarHBondContact O-SG 3.33Å; L632-C636 VanDerWaalsContact O-SG 3.34Å; E633-C636 PolarHBondContact O-N 2.85Å; C636-Q638 PolarHBondContact O-N 3.34Å; C636-V639 WeakPolarHBondContact O-CB 3.43Å; C636-V639 PolarHBondContact O-N 3.48Å; C636-I640 VanDerWaalsContact O-CG1 3.31Å; C636-I640 WeakPolarHBondContact O-CG1 3.2Å; C636-I640 PolarHBondContact O-N 3.06Å; C636-L662 HydrophobicContact CB-CD1 3.65Å |
| 637 | L | 94.4 | Very high | 91.8 | Very high | 33 Ų | 33 | 49.8 Ų | 49.8 | 17% | 0.173 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.5 | -30.3 | 174.5 | -80.3 | 172.4 | 0 | 0 | 0 | 113.4 | E633 I635 G641 Q670 M671 | E633-L637 HydrophobicContact CG-CD1 4.08Å; E633-L637 HydrophobicContact CG-CG 4.46Å; E633-L637 WeakPolarHBondContact O-CB 3.48Å; E633-L637 VanDerWaalsContact O-CG 3.29Å; E633-L637 WeakPolarHBondContact O-CG 3.22Å; E633-L637 PolarHBondContact O-N 3.41Å; I635-L637 VanDerWaalsContact C-N 3.3Å; I635-L637 PolarHBondContact O-N 3.16Å; L637-G641 WeakPolarHBondContact O-CA 3.42Å; L637-G641 PolarHBondContact O-N 2.92Å; L637-Q670 HydrophobicContact CD1-CB 3.54Å; L637-Q670 HydrophobicContact CD1-CG 4.48Å; L637-M671 HydrophobicContact CD1-SD 4.4Å; L637-M671 HydrophobicContact CD2-SD 3.72Å; L637-M671 HydrophobicContact CG-SD 4.15Å |
| 638 | Q | 92.4 | Very high | 91.7 | Very high | 133 Ų | 133 | 43.7 Ų | 43.7 | 62% | 0.621 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -70.2 | -39.9 | 173.6 | -65.9 | 178.5 | -1.7 | 0 | 0 | 111.3 | I635 C636 T642 | I635-Q638 WeakPolarHBondContact O-CB 3.41Å; I635-Q638 PolarHBondContact O-N 2.97Å; C636-Q638 PolarHBondContact O-N 3.34Å; Q638-T642 WeakPolarHBondContact O-CB 3.3Å; Q638-T642 PolarHBondContact O-N 3.46Å; Q638-T642 PolarHBondContact O-OG1 2.84Å |
| 639 | V | 94.4 | Very high | 91.5 | Very high | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.012 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.8 | -56.2 | 176.6 | 177.8 | 0 | 0 | 0 | 0 | 110.2 | A585 F588 L612 I635 C636 G641 T642 V643 | A585-V639 HydrophobicContact CB-CG2 3.55Å; F588-V639 HydrophobicContact CD1-CG1 3.8Å; F588-V639 HydrophobicContact CE1-CG1 3.75Å; F588-V639 HydrophobicContact CG-CG1 4.45Å; F588-V639 HydrophobicContact CZ-CG1 4.38Å; L612-V639 HydrophobicContact CD2-CG1 3.54Å; I635-V639 PolarHBondContact O-N 2.82Å; C636-V639 WeakPolarHBondContact O-CB 3.43Å; C636-V639 PolarHBondContact O-N 3.48Å; V639-G641 VanDerWaalsContact C-N 3.3Å; V639-G641 PolarHBondContact O-N 3.38Å; V639-T642 WeakPolarHBondContact O-CB 3.1Å; V639-T642 PolarHBondContact O-N 2.9Å; V639-V643 PolarHBondContact O-N 2.89Å; V639-V643 VanDerWaalsContact O-N 3.1Å |
| 640 | I | 94.5 | Very high | 91.4 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -54.5 | -47.9 | 177.7 | -64.5 | 164 | 0 | 0 | 0 | 110.3 | C636 T642 V643 L644 I655 L658 A659 L662 L674 | C636-I640 VanDerWaalsContact O-CG1 3.31Å; C636-I640 WeakPolarHBondContact O-CG1 3.2Å; C636-I640 PolarHBondContact O-N 3.06Å; I640-T642 VanDerWaalsContact C-N 3.3Å; I640-T642 PolarHBondContact O-N 3.36Å; I640-V643 PolarHBondContact O-N 3.21Å; I640-L644 HydrophobicContact CG2-CD1 3.68Å; I640-L644 HydrophobicContact CG2-CG 4.2Å; I640-L644 WeakPolarHBondContact O-CB 3.4Å; I640-L644 WeakPolarHBondContact O-CG 3.44Å; I640-L644 PolarHBondContact O-N 3.06Å; I640-I655 HydrophobicContact CG1-CB 4.26Å; I640-L658 HydrophobicContact CD1-CB 4.34Å; I640-A659 HydrophobicContact CD1-CB 4.16Å; I640-L662 HydrophobicContact CD1-CD1 4.32Å; I640-L674 HydrophobicContact CG2-CD1 3.66Å; I640-L674 HydrophobicContact CG2-CD2 4.12Å |
| 641 | G | 91.9 | Very high | 91.5 | Very high | 10 Ų | 10 | 43.7 Ų | 43.7 | 10% | 0.103 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.5 | -37.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L637 V639 Q645 | L637-G641 WeakPolarHBondContact O-CA 3.42Å; L637-G641 PolarHBondContact O-N 2.92Å; V639-G641 VanDerWaalsContact C-N 3.3Å; V639-G641 PolarHBondContact O-N 3.38Å; G641-Q645 WeakPolarHBondContact O-CB 3.46Å; G641-Q645 WeakPolarHBondContact O-CG 3.27Å; G641-Q645 PolarHBondContact O-N 3Å |
| 642 | T | 90.1 | Very high | 91.5 | Very high | 30 Ų | 30 | 38.7 Ų | 38.7 | 18% | 0.184 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.9 | -46.5 | 178.7 | -60.6 | 0 | 0 | 0 | 0 | 110.9 | I592 Q638 V639 I640 Q646 | I592-T642 HydrophobicContact CD1-CG2 3.79Å; Q638-T642 WeakPolarHBondContact O-CB 3.3Å; Q638-T642 PolarHBondContact O-N 3.46Å; Q638-T642 PolarHBondContact O-OG1 2.84Å; V639-T642 WeakPolarHBondContact O-CB 3.1Å; V639-T642 PolarHBondContact O-N 2.9Å; I640-T642 VanDerWaalsContact C-N 3.3Å; I640-T642 PolarHBondContact O-N 3.36Å; T642-Q646 VanDerWaalsContact O-CB 3.25Å; T642-Q646 WeakPolarHBondContact O-CB 3.49Å; T642-Q646 VanDerWaalsContact O-CG 3.27Å; T642-Q646 WeakPolarHBondContact O-CG 3.47Å; T642-Q646 PolarHBondContact O-N 3.38Å |
| 643 | V | 91.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.1 | -49 | -179.8 | 177.3 | 0 | 0 | 0 | 0 | 111.5 | F588 V639 I640 Q645 Q646 H647 V648 F651 Y652 I655 | F588-V643 HydrophobicContact CE1-CG2 3.74Å; F588-V643 HydrophobicContact CZ-CG2 3.62Å; V639-V643 PolarHBondContact O-N 2.89Å; V639-V643 VanDerWaalsContact O-N 3.1Å; I640-V643 PolarHBondContact O-N 3.21Å; V643-Q645 PolarHBondContact O-N 3.34Å; V643-Q646 PolarHBondContact O-N 2.93Å; V643-H647 PolarHBondContact O-N 3.13Å; V643-V648 HydrophobicContact CG1-CB 4.21Å; V643-V648 WeakPolarHBondContact CG1-O 3.39Å; V643-V648 PolarHBondContact O-N 3.22Å; V643-F651 HydrophobicContact CG1-CB 3.92Å; V643-F651 HydrophobicContact CG2-CB 4.47Å; V643-Y652 HydrophobicContact CG1-CD1 4.19Å; V643-Y652 HydrophobicContact CG1-CE1 4.29Å; V643-I655 HydrophobicContact CB-CD1 3.97Å; V643-I655 HydrophobicContact CB-CG2 3.98Å; V643-I655 HydrophobicContact CG1-CD1 3.37Å; V643-I655 HydrophobicContact CG1-CG2 4.03Å; V643-I655 HydrophobicContact CG2-CG2 3.94Å |
| 644 | L | 91.3 | Very high | 91.5 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.2 | -36.6 | -179.6 | -64.5 | 178.9 | 0 | 0 | 0 | 112.5 | I640 Y652 I655 F656 L674 L677 V681 | I640-L644 HydrophobicContact CG2-CD1 3.68Å; I640-L644 HydrophobicContact CG2-CG 4.2Å; I640-L644 WeakPolarHBondContact O-CB 3.4Å; I640-L644 WeakPolarHBondContact O-CG 3.44Å; I640-L644 PolarHBondContact O-N 3.06Å; L644-Y652 HydrophobicContact CD2-CE1 4.23Å; L644-I655 HydrophobicContact CD2-CD1 3.49Å; L644-I655 VanDerWaalsContact CD2-CD1 3.49Å; L644-I655 HydrophobicContact CD2-CG1 4.4Å; L644-I655 HydrophobicContact CG-CD1 4.02Å; L644-F656 HydrophobicContact CD2-CE1 4.37Å; L644-F656 HydrophobicContact CD2-CZ 4.19Å; L644-L674 HydrophobicContact CD1-CD1 3.71Å; L644-L677 HydrophobicContact CD1-CB 4.49Å; L644-V681 HydrophobicContact CB-CG2 4.06Å; L644-V681 HydrophobicContact CD2-CB 4.44Å; L644-V681 HydrophobicContact CD2-CG1 4.25Å; L644-V681 HydrophobicContact CD2-CG2 3.96Å |
| 645 | Q | 88.1 | Confident | 91.6 | Very high | 136 Ų | 136 | 43.1 Ų | 43.1 | 64% | 0.636 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -76.6 | -28.5 | 178.8 | -71.1 | 171.7 | 4.2 | 0 | 0 | 113.2 | G641 V643 | G641-Q645 WeakPolarHBondContact O-CB 3.46Å; G641-Q645 WeakPolarHBondContact O-CG 3.27Å; G641-Q645 PolarHBondContact O-N 3Å; V643-Q645 PolarHBondContact O-N 3.34Å |
| 646 | Q | 87.3 | Confident | 91.7 | Very high | 105 Ų | 105 | 42.7 Ų | 42.7 | 49% | 0.491 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -89.5 | -2.9 | 176.9 | -67.4 | -176.4 | 21.1 | 0 | 0 | 113 | T642 V643 V648 | T642-Q646 VanDerWaalsContact O-CB 3.25Å; T642-Q646 WeakPolarHBondContact O-CB 3.49Å; T642-Q646 VanDerWaalsContact O-CG 3.27Å; T642-Q646 WeakPolarHBondContact O-CG 3.47Å; T642-Q646 PolarHBondContact O-N 3.38Å; V643-Q646 PolarHBondContact O-N 2.93Å; Q646-V648 VanDerWaalsContact C-N 3.31Å; Q646-V648 HydrophobicContact CB-CG2 3.76Å; Q646-V648 PolarHBondContact O-N 3.49Å |
| 647 | H | 85.3 | Confident | 91.7 | Very high | 62 Ų | 62 | 44.8 Ų | 44.8 | 29% | 0.287 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 42.8 | 179.8 | -67.1 | -85.1 | 0 | 0 | 0 | 112.9 | V643 L649 Q684 D685 | V643-H647 PolarHBondContact O-N 3.13Å; H647-L649 PolarHBondContact O-N 3.23Å; H647-L649 VanDerWaalsContact O-N 3.16Å; H647-Q684 PolarHBondContact CE1-OE1 2.9Å; H647-Q684 PolarHBondContact NE2-OE1 2.94Å; H647-D685 WeakPolarHBondContact CB-OD2 3.41Å; H647-D685 IonicContact CG-OD2 3.7Å; H647-D685 IonicContact ND1-OD1 3.73Å; H647-D685 PolarHBondContact ND1-OD1 3.45Å; H647-D685 IonicContact ND1-OD2 3.45Å; H647-D685 PolarHBondContact ND1-OD2 2.94Å |
| 648 | V | 87.5 | Confident | 91.7 | Very high | 35 Ų | 35 | 43.3 Ų | 43.3 | 21% | 0.212 | 22% | 0.216 | C | C | . | . | trans | -87.2 | 85.6 | 179.5 | -166.9 | 0 | 0 | 0 | 0 | 109.1 | V643 Q646 E650 F651 Y652 | V643-V648 HydrophobicContact CG1-CB 4.21Å; V643-V648 WeakPolarHBondContact CG1-O 3.39Å; V643-V648 PolarHBondContact O-N 3.22Å; Q646-V648 VanDerWaalsContact C-N 3.31Å; Q646-V648 HydrophobicContact CB-CG2 3.76Å; Q646-V648 PolarHBondContact O-N 3.49Å; V648-E650 PolarHBondContact O-N 3.12Å; V648-F651 HydrophobicContact CB-CD2 4.17Å; V648-F651 HydrophobicContact CG1-CD2 3.49Å; V648-F651 VanDerWaalsContact CG1-CD2 3.49Å; V648-F651 HydrophobicContact CG1-CE2 3.63Å; V648-F651 PolarHBondContact O-N 3.42Å; V648-Y652 WeakPolarHBondContact O-CD1 3.19Å; V648-Y652 WeakPolarHBondContact O-CE1 3.38Å | ||
| 649 | L | 87.2 | Confident | 91.9 | Very high | 67 Ų | 67 | 37 Ų | 37 | 35% | 0.351 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -53.9 | -33.8 | -174.3 | -70.5 | 158.5 | 0 | 0 | 0 | 113.8 | H647 F651 Y652 D685 Y689 | H647-L649 PolarHBondContact O-N 3.23Å; H647-L649 VanDerWaalsContact O-N 3.16Å; L649-F651 PolarHBondContact O-N 2.88Å; L649-F651 VanDerWaalsContact O-N 3.08Å; L649-Y652 HydrophobicContact CD2-CD2 4.05Å; L649-Y652 HydrophobicContact CD2-CE2 3.56Å; L649-Y652 PolarHBondContact O-N 3.06Å; L649-D685 HydrophobicContact CD2-CB 3.95Å; L649-Y689 HydrophobicContact CD2-CE2 3.95Å; L649-Y689 PolarHBondContact O-OH 3.22Å |
| 650 | E | 87.2 | Confident | 91.9 | Very high | 125 Ų | 125 | 39.5 Ų | 39.5 | 58% | 0.584 | 20% | 0.199 | S | C | * | . | G | 310 helix | trans | -62.2 | -15 | -175.7 | -64.7 | 168.9 | -168.3 | 0 | 0 | 114.2 | M609 V648 | M609-E650 WeakPolarHBondContact CE-O 3.5Å; V648-E650 PolarHBondContact O-N 3.12Å |
| 651 | F | 91.9 | Very high | 91.8 | Very high | 8 Ų | 8 | 41.1 Ų | 41.1 | 4% | 0.035 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -117 | 13.8 | -178.3 | -55 | -59.1 | 0 | 0 | 0 | 113.5 | F588 I592 A608 M609 L612 V643 V648 L649 E654 I655 | F588-F651 HydrophobicContact CE2-CD2 4.45Å; F588-F651 HydrophobicContact CE2-CG 4.49Å; F588-F651 HydrophobicContact CZ-CD2 4.16Å; F588-F651 HydrophobicContact CZ-CE2 4.44Å; F588-F651 HydrophobicContact CZ-CG 4.43Å; I592-F651 HydrophobicContact CG2-CE2 3.83Å; I592-F651 HydrophobicContact CG2-CZ 4.33Å; A608-F651 HydrophobicContact CB-CE1 3.61Å; A608-F651 HydrophobicContact CB-CZ 3.55Å; M609-F651 HydrophobicContact CE-CD1 4.46Å; M609-F651 HydrophobicContact CE-CE1 4.43Å; M609-F651 HydrophobicContact CG-CD1 3.95Å; M609-F651 HydrophobicContact CG-CE1 3.87Å; L612-F651 HydrophobicContact CD1-CB 4.07Å; L612-F651 HydrophobicContact CD1-CD1 4.16Å; L612-F651 HydrophobicContact CD1-CG 4.29Å; V643-F651 HydrophobicContact CG1-CB 3.92Å; V643-F651 HydrophobicContact CG2-CB 4.47Å; V648-F651 HydrophobicContact CB-CD2 4.17Å; V648-F651 HydrophobicContact CG1-CD2 3.49Å; V648-F651 VanDerWaalsContact CG1-CD2 3.49Å; V648-F651 HydrophobicContact CG1-CE2 3.63Å; V648-F651 PolarHBondContact O-N 3.42Å; L649-F651 PolarHBondContact O-N 2.88Å; L649-F651 VanDerWaalsContact O-N 3.08Å; F651-E654 VanDerWaalsContact CA-OE2 3.26Å; F651-E654 WeakPolarHBondContact CA-OE2 3.22Å; F651-I655 WeakPolarHBondContact O-CD1 3.32Å; F651-I655 VanDerWaalsContact O-CG1 3.27Å; F651-I655 WeakPolarHBondContact O-CG1 3.45Å; F651-I655 WeakPolarHBondContact O-CG2 3.47Å; F651-I655 PolarHBondContact O-N 3.23Å; F651-I655 VanDerWaalsContact O-N 3.12Å |
| 652 | Y | 93.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.3 | -36.8 | -175.5 | -82.9 | 15.7 | 0 | 0 | 0 | 112.7 | V643 L644 V648 L649 I655 F656 V681 D685 Y689 | V643-Y652 HydrophobicContact CG1-CD1 4.19Å; V643-Y652 HydrophobicContact CG1-CE1 4.29Å; L644-Y652 HydrophobicContact CD2-CE1 4.23Å; V648-Y652 WeakPolarHBondContact O-CD1 3.19Å; V648-Y652 WeakPolarHBondContact O-CE1 3.38Å; L649-Y652 HydrophobicContact CD2-CD2 4.05Å; L649-Y652 HydrophobicContact CD2-CE2 3.56Å; L649-Y652 PolarHBondContact O-N 3.06Å; Y652-I655 HydrophobicContact CD1-CD1 3.59Å; Y652-I655 HydrophobicContact CE1-CD1 4.25Å; Y652-I655 HydrophobicContact CG-CD1 4.29Å; Y652-I655 VanDerWaalsContact O-CG1 3.29Å; Y652-I655 WeakPolarHBondContact O-CG1 3.23Å; Y652-F656 HydrophobicContact CD2-CE2 4.42Å; Y652-F656 HydrophobicContact CG-CE2 4.35Å; Y652-F656 WeakPolarHBondContact O-CD2 3.36Å; Y652-F656 WeakPolarHBondContact O-CG 3.35Å; Y652-F656 PolarHBondContact O-N 3.08Å; Y652-F656 VanDerWaalsContact O-N 3.15Å; Y652-V681 HydrophobicContact CD2-CG1 4.23Å; Y652-V681 HydrophobicContact CE1-CG1 4.5Å; Y652-V681 HydrophobicContact CE2-CG1 3.36Å; Y652-V681 WeakPolarHBondContact OH-CG1 3.3Å; Y652-D685 PolarHBondContact OH-OD1 3.06Å; Y652-Y689 HydrophobicContact CD2-CD1 4.49Å; Y652-Y689 AromaticContact CD2-CD2 3.67Å; Y652-Y689 HydrophobicContact CD2-CD2 3.67Å; Y652-Y689 AromaticContact CD2-CE2 3.95Å; Y652-Y689 HydrophobicContact CD2-CE2 3.95Å; Y652-Y689 AromaticContact CD2-CG 3.95Å; Y652-Y689 HydrophobicContact CD2-CG 3.95Å; Y652-Y689 HydrophobicContact CE2-CD2 4.46Å; Y652-Y689 HydrophobicContact CG-CD2 4.5Å |
| 653 | E | 94.4 | Very high | 92.1 | Very high | 110 Ų | 110 | 39.9 Ų | 39.9 | 51% | 0.514 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.4 | -49.5 | 177.8 | -61.9 | -179.3 | -166.8 | 0 | 0 | 110.5 | I655 F656 S657 Y689 | E653-I655 PolarHBondContact O-N 3.17Å; E653-F656 PolarHBondContact O-N 2.88Å; E653-S657 PolarHBondContact O-N 2.96Å; E653-Y689 HydrophobicContact CG-CD1 4.17Å; E653-Y689 HydrophobicContact CG-CE1 4.1Å |
| 654 | E | 94.8 | Very high | 92 | Very high | 28 Ų | 28 | 42.5 Ų | 42.5 | 13% | 0.131 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.6 | -39 | -176.8 | -63.4 | 79 | -177.5 | 0 | 0 | 112.6 | L612 F651 S657 L658 | L612-E654 HydrophobicContact CB-CB 3.9Å; L612-E654 HydrophobicContact CB-CG 4.32Å; L612-E654 HydrophobicContact CD1-CB 3.57Å; L612-E654 HydrophobicContact CD1-CG 4.23Å; L612-E654 HydrophobicContact CG-CB 4.38Å; F651-E654 VanDerWaalsContact CA-OE2 3.26Å; F651-E654 WeakPolarHBondContact CA-OE2 3.22Å; E654-S657 PolarHBondContact O-N 3.3Å; E654-L658 WeakPolarHBondContact O-CG 3.39Å; E654-L658 PolarHBondContact O-N 3.35Å |
| 655 | I | 95.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -71.2 | -31.7 | 178.2 | 67.1 | -162.4 | 0 | 0 | 0 | 112.4 | L612 I640 V643 L644 F651 Y652 E653 A659 | L612-I655 HydrophobicContact CD1-CG2 4.45Å; I640-I655 HydrophobicContact CG1-CB 4.26Å; V643-I655 HydrophobicContact CB-CD1 3.97Å; V643-I655 HydrophobicContact CB-CG2 3.98Å; V643-I655 HydrophobicContact CG1-CD1 3.37Å; V643-I655 HydrophobicContact CG1-CG2 4.03Å; V643-I655 HydrophobicContact CG2-CG2 3.94Å; L644-I655 HydrophobicContact CD2-CD1 3.49Å; L644-I655 VanDerWaalsContact CD2-CD1 3.49Å; L644-I655 HydrophobicContact CD2-CG1 4.4Å; L644-I655 HydrophobicContact CG-CD1 4.02Å; F651-I655 WeakPolarHBondContact O-CD1 3.32Å; F651-I655 VanDerWaalsContact O-CG1 3.27Å; F651-I655 WeakPolarHBondContact O-CG1 3.45Å; F651-I655 WeakPolarHBondContact O-CG2 3.47Å; F651-I655 PolarHBondContact O-N 3.23Å; F651-I655 VanDerWaalsContact O-N 3.12Å; Y652-I655 HydrophobicContact CD1-CD1 3.59Å; Y652-I655 HydrophobicContact CE1-CD1 4.25Å; Y652-I655 HydrophobicContact CG-CD1 4.29Å; Y652-I655 VanDerWaalsContact O-CG1 3.29Å; Y652-I655 WeakPolarHBondContact O-CG1 3.23Å; E653-I655 PolarHBondContact O-N 3.17Å; I655-A659 WeakPolarHBondContact O-CB 3.35Å; I655-A659 PolarHBondContact O-N 3.32Å |
| 656 | F | 96.3 | Very high | 92 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.018 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -73.5 | -35.4 | 173.3 | -68 | -47.3 | 0 | 0 | 0 | 111.4 | L644 Y652 E653 A659 H660 V678 D692 M693 L696 | L644-F656 HydrophobicContact CD2-CE1 4.37Å; L644-F656 HydrophobicContact CD2-CZ 4.19Å; Y652-F656 HydrophobicContact CD2-CE2 4.42Å; Y652-F656 HydrophobicContact CG-CE2 4.35Å; Y652-F656 WeakPolarHBondContact O-CD2 3.36Å; Y652-F656 WeakPolarHBondContact O-CG 3.35Å; Y652-F656 PolarHBondContact O-N 3.08Å; Y652-F656 VanDerWaalsContact O-N 3.15Å; E653-F656 PolarHBondContact O-N 2.88Å; F656-A659 PolarHBondContact O-N 3.2Å; F656-H660 VanDerWaalsContact O-CB 3.32Å; F656-H660 WeakPolarHBondContact O-CB 3.42Å; F656-H660 PolarHBondContact O-N 3.2Å; F656-V678 HydrophobicContact CE1-CG1 4.02Å; F656-V678 HydrophobicContact CE1-CG2 4.05Å; F656-V678 HydrophobicContact CZ-CG1 4.48Å; F656-D692 HydrophobicContact CB-CB 4.5Å; F656-D692 WeakPolarHBondContact CB-O 3.26Å; F656-D692 HydrophobicContact CD2-CB 3.99Å; F656-M693 HydrophobicContact CD1-CG 4.19Å; F656-M693 HydrophobicContact CD2-CG 3.9Å; F656-M693 HydrophobicContact CE1-CG 3.88Å; F656-M693 HydrophobicContact CE2-CE 3.72Å; F656-M693 HydrophobicContact CE2-CG 3.57Å; F656-M693 HydrophobicContact CG-CG 4.24Å; F656-M693 HydrophobicContact CZ-CE 3.56Å; F656-M693 HydrophobicContact CZ-CG 3.59Å; F656-M693 HydrophobicContact CZ-SD 4.26Å; F656-L696 HydrophobicContact CD1-CD2 4.24Å |
| 657 | S | 94.9 | Very high | 92.4 | Very high | 47 Ų | 47 | 41.8 Ų | 41.8 | 33% | 0.329 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -57.7 | -51.2 | 168.4 | -167.3 | 0 | 0 | 0 | 0 | 111.4 | D616 E653 E654 A659 H660 S661 | D616-S657 PolarHBondContact OD2-OG 2.96Å; D616-S657 VanDerWaalsContact OD2-OG 3.09Å; E653-S657 PolarHBondContact O-N 2.96Å; E654-S657 PolarHBondContact O-N 3.3Å; S657-A659 VanDerWaalsContact C-N 3.32Å; S657-A659 PolarHBondContact O-N 3.14Å; S657-H660 WeakPolarHBondContact O-CA 3.15Å; S657-H660 WeakPolarHBondContact O-CB 3.48Å; S657-H660 PolarHBondContact O-N 3.36Å; S657-S661 PolarHBondContact O-N 3.05Å; S657-S661 PolarHBondContact O-OG 3.43Å |
| 658 | L | 95 | Very high | 92.8 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.1 | -42.4 | 177 | -74.9 | 172.7 | 0 | 0 | 0 | 112.7 | L612 I615 D616 L619 I640 E654 H660 L662 | L612-L658 HydrophobicContact CB-CD1 4.38Å; L612-L658 HydrophobicContact CD2-CD1 3.92Å; I615-L658 HydrophobicContact CB-CD2 4.17Å; I615-L658 HydrophobicContact CG2-CD2 3.76Å; D616-L658 HydrophobicContact CB-CD2 3.69Å; L619-L658 HydrophobicContact CD1-CD2 3.75Å; I640-L658 HydrophobicContact CD1-CB 4.34Å; E654-L658 WeakPolarHBondContact O-CG 3.39Å; E654-L658 PolarHBondContact O-N 3.35Å; L658-H660 VanDerWaalsContact C-N 3.35Å; L658-L662 VanDerWaalsContact O-CG 3.28Å; L658-L662 WeakPolarHBondContact O-CG 3.37Å; L658-L662 PolarHBondContact O-N 2.97Å; L658-L662 VanDerWaalsContact O-N 3.12Å |
| 659 | A | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.3 | -36.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | I640 I655 F656 S657 L662 T663 M671 L674 L696 | I640-A659 HydrophobicContact CD1-CB 4.16Å; I655-A659 WeakPolarHBondContact O-CB 3.35Å; I655-A659 PolarHBondContact O-N 3.32Å; F656-A659 PolarHBondContact O-N 3.2Å; S657-A659 VanDerWaalsContact C-N 3.32Å; S657-A659 PolarHBondContact O-N 3.14Å; A659-L662 PolarHBondContact O-N 3.37Å; A659-T663 WeakPolarHBondContact O-CG2 3.46Å; A659-T663 PolarHBondContact O-N 2.89Å; A659-T663 PolarHBondContact O-OG1 3.4Å; A659-M671 HydrophobicContact CB-CE 4.05Å; A659-L674 HydrophobicContact CB-CD2 3.85Å; A659-L696 HydrophobicContact CB-CD1 3.99Å; A659-L696 HydrophobicContact CB-CD2 3.74Å; A659-L696 HydrophobicContact CB-CG 4.38Å |
| 660 | H | 94.8 | Very high | 93.3 | Very high | 56 Ų | 56 | 44.1 Ų | 44.1 | 26% | 0.259 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.4 | -53 | 172.8 | 169.4 | 69.7 | 0 | 0 | 0 | 110.5 | F656 S657 L658 L662 T663 C664 P695 N699 | F656-H660 VanDerWaalsContact O-CB 3.32Å; F656-H660 WeakPolarHBondContact O-CB 3.42Å; F656-H660 PolarHBondContact O-N 3.2Å; S657-H660 WeakPolarHBondContact O-CA 3.15Å; S657-H660 WeakPolarHBondContact O-CB 3.48Å; S657-H660 PolarHBondContact O-N 3.36Å; L658-H660 VanDerWaalsContact C-N 3.35Å; H660-L662 PolarHBondContact O-N 3.32Å; H660-T663 PolarHBondContact O-N 2.83Å; H660-T663 PolarHBondContact O-OG1 2.95Å; H660-C664 PolarHBondContact O-N 3.45Å; H660-C664 PolarHBondContact O-SG 3.46Å; H660-P695 HydrophobicContact CB-CB 4.17Å; H660-P695 WeakPolarHBondContact ND1-CB 3.3Å; H660-P695 PolarHBondContact ND1-O 3.29Å; H660-N699 PolarHBondContact CE1-ND2 3.4Å; H660-N699 PolarHBondContact ND1-ND2 3.14Å; H660-N699 PolarHBondContact O-ND2 2.95Å; H660-N699 VanDerWaalsContact O-ND2 3.15Å |
| 661 | S | 92.6 | Very high | 93.7 | Very high | 36 Ų | 36 | 38.2 Ų | 38.2 | 25% | 0.252 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -53.3 | -39.7 | 177.1 | -60.1 | 0 | 0 | 0 | 0 | 112.8 | D616 S657 T663 | D616-S661 VanDerWaalsContact OD1-CB 3.32Å; D616-S661 WeakPolarHBondContact OD1-CB 3.49Å; D616-S661 PolarHBondContact OD1-OG 3.06Å; S657-S661 PolarHBondContact O-N 3.05Å; S657-S661 PolarHBondContact O-OG 3.43Å; S661-T663 VanDerWaalsContact C-N 3.26Å; S661-T663 PolarHBondContact O-N 3.25Å |
| 662 | L | 94 | Very high | 93.9 | Very high | 13 Ų | 13 | 38.1 Ų | 38.1 | 7% | 0.068 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -12.8 | 177.4 | -70.7 | 170.3 | 0 | 0 | 0 | 114.7 | L619 E633 C636 I640 L658 A659 H660 M671 | L619-L662 HydrophobicContact CD1-CD2 4.03Å; L619-L662 HydrophobicContact CD1-CG 4.03Å; L619-L662 HydrophobicContact CD2-CD2 3.72Å; E633-L662 HydrophobicContact CB-CD2 4.02Å; E633-L662 HydrophobicContact CG-CD1 4.43Å; E633-L662 HydrophobicContact CG-CD2 4.3Å; C636-L662 HydrophobicContact CB-CD1 3.65Å; I640-L662 HydrophobicContact CD1-CD1 4.32Å; L658-L662 VanDerWaalsContact O-CG 3.28Å; L658-L662 WeakPolarHBondContact O-CG 3.37Å; L658-L662 PolarHBondContact O-N 2.97Å; L658-L662 VanDerWaalsContact O-N 3.12Å; A659-L662 PolarHBondContact O-N 3.37Å; H660-L662 PolarHBondContact O-N 3.32Å; L662-M671 HydrophobicContact CB-CE 4.01Å; L662-M671 HydrophobicContact CB-SD 4.26Å; L662-M671 HydrophobicContact CD1-CE 4.38Å; L662-M671 HydrophobicContact CD1-SD 4.24Å |
| 663 | T | 94.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | -5.7 | -175.2 | 51.9 | 0 | 0 | 0 | 0 | 114.5 | A659 H660 S661 Q665 V667 M671 L696 N699 | A659-T663 WeakPolarHBondContact O-CG2 3.46Å; A659-T663 PolarHBondContact O-N 2.89Å; A659-T663 PolarHBondContact O-OG1 3.4Å; H660-T663 PolarHBondContact O-N 2.83Å; H660-T663 PolarHBondContact O-OG1 2.95Å; S661-T663 VanDerWaalsContact C-N 3.26Å; S661-T663 PolarHBondContact O-N 3.25Å; T663-Q665 PolarHBondContact O-N 3.13Å; T663-V667 HydrophobicContact CG2-CG1 4.33Å; T663-V667 HydrophobicContact CG2-CG2 4.4Å; T663-M671 HydrophobicContact CG2-CB 4.05Å; T663-M671 HydrophobicContact CG2-CE 3.73Å; T663-M671 HydrophobicContact CG2-CG 4.08Å; T663-L696 HydrophobicContact CG2-CD1 3.9Å; T663-N699 WeakPolarHBondContact OG1-CB 3.36Å; T663-N699 PolarHBondContact OG1-ND2 3.09Å |
| 664 | C | 90.9 | Very high | 93.9 | Very high | 56 Ų | 56 | 39.6 Ų | 39.6 | 38% | 0.378 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -58.8 | -42.1 | -177.1 | -67.6 | 0 | 0 | 0 | 0 | 114 | H660 N699 V703 | H660-C664 PolarHBondContact O-N 3.45Å; H660-C664 PolarHBondContact O-SG 3.46Å; C664-N699 PolarHBondContact N-ND2 3.4Å; C664-V703 WeakPolarHBondContact O-CG2 3.36Å |
| 665 | Q | 88.6 | Confident | 93.9 | Very high | 92 Ų | 92 | 38.3 Ų | 38.3 | 43% | 0.43 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -95.3 | -36.8 | -177.8 | -64.8 | -170.9 | 7.5 | 0 | 0 | 113.9 | E623 T663 | E623-Q665 PolarHBondContact O-NE2 2.82Å; E623-Q665 PolarHBondContact OE1-NE2 3.45Å; E623-Q665 VanDerWaalsContact OE1-NE2 3.14Å; T663-Q665 PolarHBondContact O-N 3.13Å |
| 666 | Q | 91 | Very high | 93.9 | Very high | 134 Ų | 134 | 40.6 Ų | 40.6 | 63% | 0.626 | 22% | 0.219 | S | C | * | . | trans | -157 | 138.5 | -178.3 | 179.6 | 176.1 | 4 | 0 | 0 | 110 | ||||
| 667 | V | 94.5 | Very high | 93.8 | Very high | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.024 | 23% | 0.232 | C | C | . | . | trans | -91.9 | 114 | 170.5 | -167.9 | 0 | 0 | 0 | 0 | 110.1 | T663 M671 W672 Y700 V703 D704 | T663-V667 HydrophobicContact CG2-CG1 4.33Å; T663-V667 HydrophobicContact CG2-CG2 4.4Å; V667-M671 HydrophobicContact CG1-CB 3.95Å; V667-W672 VanDerWaalsContact CG1-CD1 3.49Å; V667-W672 HydrophobicContact CG1-CD2 4.14Å; V667-W672 HydrophobicContact CG1-CG 4Å; V667-W672 HydrophobicContact CG1-CZ2 4.4Å; V667-W672 VanDerWaalsContact CG1-NE1 3.34Å; V667-Y700 HydrophobicContact CG1-CD1 3.71Å; V667-Y700 HydrophobicContact CG1-CE1 3.53Å; V667-Y700 HydrophobicContact CG2-CD1 4.47Å; V667-V703 HydrophobicContact CG2-CB 4.11Å; V667-V703 HydrophobicContact CG2-CG1 4.18Å; V667-D704 HydrophobicContact CB-CB 3.83Å; V667-D704 HydrophobicContact CG2-CB 3.81Å | ||
| 668 | S | 93.5 | Very high | 93.8 | Very high | 14 Ų | 14 | 40.7 Ų | 40.7 | 10% | 0.098 | 22% | 0.216 | C | C | . | . | trans | -75.6 | 160.8 | 178.3 | 99.6 | 0 | 0 | 0 | 0 | 112.2 | E633 Q670 M671 W672 | E633-S668 VanDerWaalsContact CD-OG 3.28Å; E633-S668 VanDerWaalsContact OE1-CB 3.27Å; E633-S668 WeakPolarHBondContact OE1-CB 3.35Å; E633-S668 PolarHBondContact OE1-OG 3.4Å; E633-S668 WeakPolarHBondContact OE2-CB 3.35Å; E633-S668 PolarHBondContact OE2-OG 3.36Å; S668-Q670 PolarHBondContact O-N 3.22Å; S668-Q670 PolarHBondContact OG-N 3Å; S668-M671 PolarHBondContact O-N 3.39Å; S668-M671 PolarHBondContact OG-N 2.98Å; S668-M671 VanDerWaalsContact OG-N 3.08Å; S668-W672 PolarHBondContact O-N 2.91Å | ||
| 669 | P | 93.4 | Very high | 93.9 | Very high | 101 Ų | 101 | 42.1 Ų | 42.1 | 66% | 0.656 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -22 | 171.4 | -23.7 | 34.2 | 0 | 0 | 0 | 114.6 | Q673 | P669-Q673 WeakPolarHBondContact O-CG 3.41Å; P669-Q673 PolarHBondContact O-NE2 2.97Å |
| 670 | Q | 92.3 | Very high | 93.8 | Very high | 98 Ų | 98 | 46.7 Ų | 46.7 | 46% | 0.458 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -39.7 | 176.1 | -57.3 | 179.1 | 40.6 | 0 | 0 | 110.2 | L637 S668 W672 Q673 L674 | L637-Q670 HydrophobicContact CD1-CB 3.54Å; L637-Q670 HydrophobicContact CD1-CG 4.48Å; S668-Q670 PolarHBondContact O-N 3.22Å; S668-Q670 PolarHBondContact OG-N 3Å; Q670-W672 VanDerWaalsContact C-N 3.32Å; Q670-W672 PolarHBondContact O-N 3.5Å; Q670-Q673 WeakPolarHBondContact O-CA 3.5Å; Q670-Q673 VanDerWaalsContact O-CB 3.3Å; Q670-Q673 WeakPolarHBondContact O-CB 3.27Å; Q670-Q673 PolarHBondContact O-N 3.06Å; Q670-L674 PolarHBondContact O-N 3.08Å |
| 671 | M | 95 | Very high | 93.7 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.9 | -41 | 171.4 | -65.2 | -52.3 | -68.8 | 0 | 0 | 111.1 | E633 L637 A659 L662 T663 V667 S668 Q673 L674 Y700 | E633-M671 HydrophobicContact CG-CG 4.39Å; E633-M671 HydrophobicContact CG-SD 4.18Å; L637-M671 HydrophobicContact CD1-SD 4.4Å; L637-M671 HydrophobicContact CD2-SD 3.72Å; L637-M671 HydrophobicContact CG-SD 4.15Å; A659-M671 HydrophobicContact CB-CE 4.05Å; L662-M671 HydrophobicContact CB-CE 4.01Å; L662-M671 HydrophobicContact CB-SD 4.26Å; L662-M671 HydrophobicContact CD1-CE 4.38Å; L662-M671 HydrophobicContact CD1-SD 4.24Å; T663-M671 HydrophobicContact CG2-CB 4.05Å; T663-M671 HydrophobicContact CG2-CE 3.73Å; T663-M671 HydrophobicContact CG2-CG 4.08Å; V667-M671 HydrophobicContact CG1-CB 3.95Å; S668-M671 PolarHBondContact O-N 3.39Å; S668-M671 PolarHBondContact OG-N 2.98Å; S668-M671 VanDerWaalsContact OG-N 3.08Å; M671-Q673 PolarHBondContact O-N 3.24Å; M671-L674 HydrophobicContact CE-CD2 3.71Å; M671-L674 WeakPolarHBondContact O-CA 3.49Å; M671-L674 WeakPolarHBondContact O-CB 3.24Å; M671-L674 PolarHBondContact O-N 2.88Å; M671-Y700 PolarHBondContact O-OH 3.49Å |
| 672 | W | 95.7 | Very high | 93.9 | Very high | 6 Ų | 6 | 42.6 Ų | 42.6 | 2% | 0.023 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.4 | -21.1 | 171.5 | -81.4 | 110.4 | 0 | 0 | 0 | 114.8 | V667 S668 Q670 L674 L675 P676 Y700 D704 T707 L708 Y714 | V667-W672 VanDerWaalsContact CG1-CD1 3.49Å; V667-W672 HydrophobicContact CG1-CD2 4.14Å; V667-W672 HydrophobicContact CG1-CG 4Å; V667-W672 HydrophobicContact CG1-CZ2 4.4Å; V667-W672 VanDerWaalsContact CG1-NE1 3.34Å; S668-W672 PolarHBondContact O-N 2.91Å; Q670-W672 VanDerWaalsContact C-N 3.32Å; Q670-W672 PolarHBondContact O-N 3.5Å; W672-L674 VanDerWaalsContact C-N 3.34Å; W672-L675 HydrophobicContact CE3-CD2 4.19Å; W672-L675 HydrophobicContact CZ3-CD2 3.83Å; W672-P676 WeakPolarHBondContact O-CD 3.32Å; W672-Y700 HydrophobicContact CD2-CD1 4Å; W672-Y700 HydrophobicContact CD2-CE1 4.12Å; W672-Y700 AromaticContact CE3-CD1 3.79Å; W672-Y700 HydrophobicContact CE3-CD1 3.79Å; W672-Y700 HydrophobicContact CE3-CE1 4.02Å; W672-Y700 AromaticContact CH2-CD1 3.71Å; W672-Y700 HydrophobicContact CH2-CD1 3.71Å; W672-Y700 HydrophobicContact CH2-CG 4.25Å; W672-Y700 AromaticContact CZ2-CD1 3.95Å; W672-Y700 HydrophobicContact CZ2-CD1 3.95Å; W672-Y700 AromaticContact CZ3-CD1 3.63Å; W672-Y700 HydrophobicContact CZ3-CD1 3.63Å; W672-Y700 HydrophobicContact CZ3-CE1 4.31Å; W672-Y700 HydrophobicContact CZ3-CG 4.22Å; W672-D704 HydrophobicContact CZ2-CB 4.13Å; W672-D704 WeakPolarHBondContact CZ2-O 3.26Å; W672-D704 PolarHBondContact NE1-OD2 2.93Å; W672-T707 HydrophobicContact CD2-CG2 3.81Å; W672-T707 VanDerWaalsContact CE2-CG2 3.46Å; W672-T707 HydrophobicContact CG-CG2 3.98Å; W672-T707 HydrophobicContact CZ2-CG2 4Å; W672-L708 HydrophobicContact CH2-CB 3.75Å; W672-L708 HydrophobicContact CH2-CD1 4.07Å; W672-L708 HydrophobicContact CZ2-CB 4.35Å; W672-L708 HydrophobicContact CZ3-CD1 4.35Å; W672-Y714 HydrophobicContact CD2-CE2 4.43Å; W672-Y714 AromaticContact CE3-CD1 3.91Å; W672-Y714 HydrophobicContact CE3-CD1 3.91Å; W672-Y714 AromaticContact CE3-CD2 3.91Å; W672-Y714 HydrophobicContact CE3-CD2 3.91Å; W672-Y714 AromaticContact CE3-CE1 3.89Å; W672-Y714 HydrophobicContact CE3-CE1 3.89Å; W672-Y714 AromaticContact CE3-CE2 3.92Å; W672-Y714 HydrophobicContact CE3-CE2 3.92Å; W672-Y714 AromaticContact CE3-CG 3.91Å; W672-Y714 HydrophobicContact CE3-CG 3.91Å; W672-Y714 AromaticContact CE3-CZ 3.89Å; W672-Y714 HydrophobicContact CZ3-CD1 4.07Å; W672-Y714 AromaticContact CZ3-CD2 3.88Å; W672-Y714 HydrophobicContact CZ3-CD2 3.88Å; W672-Y714 HydrophobicContact CZ3-CE1 4.5Å; W672-Y714 HydrophobicContact CZ3-CE2 4.36Å; W672-Y714 AromaticContact CZ3-CG 3.72Å; W672-Y714 HydrophobicContact CZ3-CG 3.72Å |
| 673 | Q | 93.5 | Very high | 93.8 | Very high | 137 Ų | 137 | 46.9 Ų | 46.9 | 64% | 0.64 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -80.8 | -14.7 | 172.1 | -64.9 | 171.8 | 29.9 | 0 | 0 | 112.9 | P669 Q670 M671 P676 | P669-Q673 WeakPolarHBondContact O-CG 3.41Å; P669-Q673 PolarHBondContact O-NE2 2.97Å; Q670-Q673 WeakPolarHBondContact O-CA 3.5Å; Q670-Q673 VanDerWaalsContact O-CB 3.3Å; Q670-Q673 WeakPolarHBondContact O-CB 3.27Å; Q670-Q673 PolarHBondContact O-N 3.06Å; M671-Q673 PolarHBondContact O-N 3.24Å; Q673-P676 WeakPolarHBondContact O-CD 3.38Å |
| 674 | L | 94.9 | Very high | 93.6 | Very high | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -75.7 | -36.6 | 174.7 | -174.3 | 63.2 | 0 | 0 | 0 | 111.6 | I640 L644 A659 Q670 M671 W672 L677 V678 L696 | I640-L674 HydrophobicContact CG2-CD1 3.66Å; I640-L674 HydrophobicContact CG2-CD2 4.12Å; L644-L674 HydrophobicContact CD1-CD1 3.71Å; A659-L674 HydrophobicContact CB-CD2 3.85Å; Q670-L674 PolarHBondContact O-N 3.08Å; M671-L674 HydrophobicContact CE-CD2 3.71Å; M671-L674 WeakPolarHBondContact O-CA 3.49Å; M671-L674 WeakPolarHBondContact O-CB 3.24Å; M671-L674 PolarHBondContact O-N 2.88Å; W672-L674 VanDerWaalsContact C-N 3.34Å; L674-L677 HydrophobicContact CD1-CB 4.42Å; L674-L677 HydrophobicContact CD1-CD1 4.25Å; L674-L677 WeakPolarHBondContact O-CA 3.31Å; L674-L677 VanDerWaalsContact O-CB 3.31Å; L674-L677 WeakPolarHBondContact O-CB 3.33Å; L674-L677 PolarHBondContact O-N 3.14Å; L674-V678 HydrophobicContact CG-CG2 4.03Å; L674-V678 WeakPolarHBondContact O-CG2 3.39Å; L674-V678 PolarHBondContact O-N 3.12Å; L674-L696 HydrophobicContact CD2-CD2 4.5Å |
| 675 | L | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -52.1 | -44.6 | -178.7 | 176.2 | 61.8 | 0 | 0 | 0 | 114.2 | W672 L677 V678 F679 L697 Y700 Y714 M717 I718 M721 | W672-L675 HydrophobicContact CE3-CD2 4.19Å; W672-L675 HydrophobicContact CZ3-CD2 3.83Å; L675-L677 VanDerWaalsContact C-N 3.29Å; L675-L677 PolarHBondContact O-N 3.08Å; L675-V678 PolarHBondContact O-N 3.42Å; L675-F679 WeakPolarHBondContact O-CB 3.39Å; L675-F679 PolarHBondContact O-N 3.08Å; L675-L697 HydrophobicContact CD1-CD2 3.8Å; L675-Y700 HydrophobicContact CB-CE1 4.44Å; L675-Y700 HydrophobicContact CB-CE2 4.06Å; L675-Y700 HydrophobicContact CD1-CD2 4.26Å; L675-Y700 HydrophobicContact CD1-CE2 4.21Å; L675-Y714 HydrophobicContact CD2-CD1 3.73Å; L675-Y714 HydrophobicContact CD2-CG 4.25Å; L675-M717 HydrophobicContact CG-SD 4.36Å; L675-I718 HydrophobicContact CD1-CG1 4.36Å; L675-I718 HydrophobicContact CD2-CG1 4.46Å; L675-M721 HydrophobicContact CD1-CE 4.21Å |
| 676 | P | 95.2 | Very high | 93.5 | Very high | 48 Ų | 48 | 47.3 Ų | 47.3 | 31% | 0.312 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.5 | -34.2 | 172.3 | -25.9 | 34.5 | 0 | 0 | 0 | 114.7 | W672 Q673 E680 M717 | W672-P676 WeakPolarHBondContact O-CD 3.32Å; Q673-P676 WeakPolarHBondContact O-CD 3.38Å; P676-E680 PolarHBondContact O-N 3.36Å; P676-M717 HydrophobicContact CB-CE 4.13Å; P676-M717 HydrophobicContact CB-SD 4.42Å; P676-M717 HydrophobicContact CG-CE 4.14Å; P676-M717 HydrophobicContact CG-SD 4.25Å |
| 677 | L | 93.3 | Very high | 93.5 | Very high | 53 Ų | 53 | 42.7 Ų | 42.7 | 28% | 0.277 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -71.8 | -42.8 | 176.4 | -64.9 | 171 | 0 | 0 | 0 | 110.9 | L644 L674 L675 F679 E680 V681 | L644-L677 HydrophobicContact CD1-CB 4.49Å; L674-L677 HydrophobicContact CD1-CB 4.42Å; L674-L677 HydrophobicContact CD1-CD1 4.25Å; L674-L677 WeakPolarHBondContact O-CA 3.31Å; L674-L677 VanDerWaalsContact O-CB 3.31Å; L674-L677 WeakPolarHBondContact O-CB 3.33Å; L674-L677 PolarHBondContact O-N 3.14Å; L675-L677 VanDerWaalsContact C-N 3.29Å; L675-L677 PolarHBondContact O-N 3.08Å; L677-F679 VanDerWaalsContact C-N 3.26Å; L677-F679 PolarHBondContact O-N 3.4Å; L677-E680 PolarHBondContact O-N 3.01Å; L677-E680 VanDerWaalsContact O-N 3.15Å; L677-V681 WeakPolarHBondContact O-CG2 3.48Å; L677-V681 PolarHBondContact O-N 2.86Å |
| 678 | V | 95.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57 | -44.5 | 173.2 | 179.1 | 0 | 0 | 0 | 0 | 110.2 | F656 L674 L675 E680 V681 F682 M693 L696 | F656-V678 HydrophobicContact CE1-CG1 4.02Å; F656-V678 HydrophobicContact CE1-CG2 4.05Å; F656-V678 HydrophobicContact CZ-CG1 4.48Å; L674-V678 HydrophobicContact CG-CG2 4.03Å; L674-V678 WeakPolarHBondContact O-CG2 3.39Å; L674-V678 PolarHBondContact O-N 3.12Å; L675-V678 PolarHBondContact O-N 3.42Å; V678-E680 PolarHBondContact O-N 2.78Å; V678-V681 PolarHBondContact O-N 3.08Å; V678-F682 WeakPolarHBondContact O-CB 3.41Å; V678-F682 PolarHBondContact O-N 3.31Å; V678-M693 HydrophobicContact CG1-CG 4.01Å; V678-M693 HydrophobicContact CG1-SD 3.73Å; V678-L696 HydrophobicContact CG2-CD2 4.06Å |
| 679 | F | 96.5 | Very high | 93.4 | Very high | 31 Ų | 31 | 50.2 Ų | 50.2 | 14% | 0.136 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63 | -41.4 | 176.5 | -177.5 | -111.6 | 0 | 0 | 0 | 112.9 | L675 L677 Q683 M717 M721 | L675-F679 WeakPolarHBondContact O-CB 3.39Å; L675-F679 PolarHBondContact O-N 3.08Å; L677-F679 VanDerWaalsContact C-N 3.26Å; L677-F679 PolarHBondContact O-N 3.4Å; F679-Q683 HydrophobicContact CE1-CG 4.35Å; F679-Q683 HydrophobicContact CE2-CG 4.42Å; F679-Q683 HydrophobicContact CZ-CG 4.26Å; F679-Q683 VanDerWaalsContact O-CG 3.31Å; F679-Q683 WeakPolarHBondContact O-CG 3.27Å; F679-Q683 PolarHBondContact O-N 3.28Å; F679-M717 HydrophobicContact CB-CB 4.43Å; F679-M717 HydrophobicContact CB-CG 4.34Å; F679-M717 HydrophobicContact CB-SD 4.4Å; F679-M717 HydrophobicContact CD1-CG 4.05Å; F679-M717 HydrophobicContact CD2-CB 4.04Å; F679-M717 HydrophobicContact CD2-CG 4.29Å; F679-M717 HydrophobicContact CE1-CG 4.38Å; F679-M717 HydrophobicContact CE2-CB 4.46Å; F679-M717 HydrophobicContact CG-CB 4.14Å; F679-M717 HydrophobicContact CG-CG 3.97Å; F679-M721 HydrophobicContact CD2-CE 4.43Å; F679-M721 HydrophobicContact CD2-CG 3.6Å; F679-M721 HydrophobicContact CD2-SD 3.98Å; F679-M721 HydrophobicContact CE2-CG 3.96Å |
| 680 | E | 94.5 | Very high | 93.6 | Very high | 97 Ų | 97 | 45.4 Ų | 45.4 | 45% | 0.453 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.6 | -45.9 | 175.6 | 179.1 | 171.2 | -171.1 | 0 | 0 | 111.6 | P676 L677 V678 Q683 Q684 | P676-E680 PolarHBondContact O-N 3.36Å; L677-E680 PolarHBondContact O-N 3.01Å; L677-E680 VanDerWaalsContact O-N 3.15Å; V678-E680 PolarHBondContact O-N 2.78Å; E680-Q683 WeakPolarHBondContact O-CB 3.39Å; E680-Q683 PolarHBondContact O-N 3.11Å; E680-Q683 VanDerWaalsContact O-N 3.15Å; E680-Q684 VanDerWaalsContact CG-NE2 3.31Å; E680-Q684 WeakPolarHBondContact O-CG 3.26Å; E680-Q684 PolarHBondContact O-N 2.78Å; E680-Q684 VanDerWaalsContact O-N 3.16Å; E680-Q684 PolarHBondContact OE1-NE2 2.83Å |
| 681 | V | 93.4 | Very high | 93.7 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.024 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.3 | -46.7 | 177.3 | 166.8 | 0 | 0 | 0 | 0 | 111.1 | L644 Y652 L677 V678 Q683 Q684 D685 G686 M693 | L644-V681 HydrophobicContact CB-CG2 4.06Å; L644-V681 HydrophobicContact CD2-CB 4.44Å; L644-V681 HydrophobicContact CD2-CG1 4.25Å; L644-V681 HydrophobicContact CD2-CG2 3.96Å; Y652-V681 HydrophobicContact CD2-CG1 4.23Å; Y652-V681 HydrophobicContact CE1-CG1 4.5Å; Y652-V681 HydrophobicContact CE2-CG1 3.36Å; Y652-V681 WeakPolarHBondContact OH-CG1 3.3Å; L677-V681 WeakPolarHBondContact O-CG2 3.48Å; L677-V681 PolarHBondContact O-N 2.86Å; V678-V681 PolarHBondContact O-N 3.08Å; V681-Q683 PolarHBondContact O-N 3.43Å; V681-Q684 PolarHBondContact O-N 3.19Å; V681-D685 PolarHBondContact O-N 3.23Å; V681-D685 VanDerWaalsContact O-N 3.09Å; V681-G686 PolarHBondContact O-N 2.87Å; V681-M693 HydrophobicContact CG1-CE 4.49Å |
| 682 | F | 95.2 | Very high | 93.8 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.7 | -33.3 | 173.9 | 174.4 | -93.8 | 0 | 0 | 0 | 113.3 | V678 Q684 F687 F690 M693 M721 K724 V725 | V678-F682 WeakPolarHBondContact O-CB 3.41Å; V678-F682 PolarHBondContact O-N 3.31Å; F682-Q684 VanDerWaalsContact C-N 3.35Å; F682-F687 HydrophobicContact CE1-CD2 4.48Å; F682-F687 AromaticContact CE2-CD2 3.79Å; F682-F687 HydrophobicContact CE2-CD2 3.79Å; F682-F687 HydrophobicContact CE2-CE2 4.36Å; F682-F687 AromaticContact CZ-CD2 3.71Å; F682-F687 HydrophobicContact CZ-CD2 3.71Å; F682-F687 HydrophobicContact CZ-CE2 4.03Å; F682-F690 HydrophobicContact CD2-CD2 4.24Å; F682-F690 HydrophobicContact CE2-CB 4.16Å; F682-F690 AromaticContact CE2-CD2 3.76Å; F682-F690 HydrophobicContact CE2-CD2 3.76Å; F682-F690 HydrophobicContact CE2-CG 4.35Å; F682-F690 HydrophobicContact CZ-CD2 4.48Å; F682-M693 HydrophobicContact CB-CE 3.99Å; F682-M693 HydrophobicContact CB-SD 3.99Å; F682-M693 HydrophobicContact CD2-CE 4.37Å; F682-M693 HydrophobicContact CD2-SD 4.05Å; F682-M693 HydrophobicContact CG-SD 4.44Å; F682-M721 HydrophobicContact CB-SD 4.06Å; F682-M721 HydrophobicContact CD1-CB 4.1Å; F682-M721 HydrophobicContact CD1-CG 3.51Å; F682-M721 HydrophobicContact CD1-SD 4.15Å; F682-M721 HydrophobicContact CE1-CB 3.82Å; F682-M721 HydrophobicContact CE1-CG 3.72Å; F682-M721 HydrophobicContact CE2-CB 4.44Å; F682-M721 HydrophobicContact CG-CB 4.5Å; F682-M721 HydrophobicContact CG-CG 3.92Å; F682-M721 HydrophobicContact CG-SD 3.98Å; F682-M721 HydrophobicContact CZ-CB 4.01Å; F682-M721 HydrophobicContact CZ-CG 4.33Å; F682-K724 HydrophobicContact CD1-CD 4.37Å; F682-K724 HydrophobicContact CE1-CB 3.95Å; F682-K724 HydrophobicContact CE1-CD 3.46Å; F682-K724 VanDerWaalsContact CE1-CD 3.46Å; F682-K724 HydrophobicContact CE1-CG 4.27Å; F682-K724 HydrophobicContact CZ-CB 4.05Å; F682-K724 HydrophobicContact CZ-CD 3.88Å; F682-K724 HydrophobicContact CZ-CG 4.39Å; F682-K724 PolarHBondContact O-NZ 3.16Å; F682-V725 HydrophobicContact CE2-CG2 3.92Å; F682-V725 HydrophobicContact CZ-CG2 3.83Å |
| 683 | Q | 93.5 | Very high | 93.8 | Very high | 104 Ų | 104 | 44.1 Ų | 44.1 | 49% | 0.486 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -73 | -28.6 | 177 | -77.6 | -171.6 | -21.2 | 0 | 0 | 113.3 | F679 E680 V681 | F679-Q683 HydrophobicContact CE1-CG 4.35Å; F679-Q683 HydrophobicContact CE2-CG 4.42Å; F679-Q683 HydrophobicContact CZ-CG 4.26Å; F679-Q683 VanDerWaalsContact O-CG 3.31Å; F679-Q683 WeakPolarHBondContact O-CG 3.27Å; F679-Q683 PolarHBondContact O-N 3.28Å; E680-Q683 WeakPolarHBondContact O-CB 3.39Å; E680-Q683 PolarHBondContact O-N 3.11Å; E680-Q683 VanDerWaalsContact O-N 3.15Å; V681-Q683 PolarHBondContact O-N 3.43Å |
| 684 | Q | 89.9 | Confident | 93.9 | Very high | 107 Ų | 107 | 37.6 Ų | 37.6 | 50% | 0.5 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -92.8 | -81.2 | -175.5 | -65.4 | -174.4 | 38.2 | 0 | 0 | 111.7 | H647 E680 V681 F682 | H647-Q684 PolarHBondContact CE1-OE1 2.9Å; H647-Q684 PolarHBondContact NE2-OE1 2.94Å; E680-Q684 VanDerWaalsContact CG-NE2 3.31Å; E680-Q684 WeakPolarHBondContact O-CG 3.26Å; E680-Q684 PolarHBondContact O-N 2.78Å; E680-Q684 VanDerWaalsContact O-N 3.16Å; E680-Q684 PolarHBondContact OE1-NE2 2.83Å; V681-Q684 PolarHBondContact O-N 3.19Å; F682-Q684 VanDerWaalsContact C-N 3.35Å |
| 685 | D | 87 | Confident | 94 | Very high | 49 Ų | 49 | 39 Ų | 39 | 26% | 0.262 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -125.5 | -10.7 | -169.8 | 56.6 | 2.8 | 0 | 0 | 0 | 114 | H647 L649 Y652 V681 F687 | H647-D685 WeakPolarHBondContact CB-OD2 3.41Å; H647-D685 IonicContact CG-OD2 3.7Å; H647-D685 IonicContact ND1-OD1 3.73Å; H647-D685 PolarHBondContact ND1-OD1 3.45Å; H647-D685 IonicContact ND1-OD2 3.45Å; H647-D685 PolarHBondContact ND1-OD2 2.94Å; L649-D685 HydrophobicContact CD2-CB 3.95Å; Y652-D685 PolarHBondContact OH-OD1 3.06Å; V681-D685 PolarHBondContact O-N 3.23Å; V681-D685 VanDerWaalsContact O-N 3.09Å; D685-F687 VanDerWaalsContact C-N 3.33Å; D685-F687 PolarHBondContact O-N 3.35Å |
| 686 | G | 89.2 | Confident | 94.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -87.4 | 20.4 | 178 | 0 | 0 | 0 | 0 | 0 | 115.4 | V681 D688 Y689 M693 | V681-G686 PolarHBondContact O-N 2.87Å; G686-D688 VanDerWaalsContact C-N 3.33Å; G686-D688 PolarHBondContact O-N 2.66Å; G686-Y689 PolarHBondContact O-N 3.38Å; G686-M693 WeakPolarHBondContact O-CE 3.38Å | ||
| 687 | F | 92.5 | Very high | 94.2 | Very high | 38 Ų | 38 | 36.7 Ų | 36.7 | 17% | 0.167 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -64.5 | -37.6 | -176.9 | 178.2 | -103.8 | 0 | 0 | 0 | 112.7 | F682 D685 Y689 K724 V725 A730 | F682-F687 HydrophobicContact CE1-CD2 4.48Å; F682-F687 AromaticContact CE2-CD2 3.79Å; F682-F687 HydrophobicContact CE2-CD2 3.79Å; F682-F687 HydrophobicContact CE2-CE2 4.36Å; F682-F687 AromaticContact CZ-CD2 3.71Å; F682-F687 HydrophobicContact CZ-CD2 3.71Å; F682-F687 HydrophobicContact CZ-CE2 4.03Å; D685-F687 VanDerWaalsContact C-N 3.33Å; D685-F687 PolarHBondContact O-N 3.35Å; F687-Y689 VanDerWaalsContact C-N 3.27Å; F687-Y689 PolarHBondContact O-N 3.34Å; F687-K724 HydrophobicContact CD2-CD 4Å; F687-K724 HydrophobicContact CD2-CG 4.41Å; F687-K724 HydrophobicContact CE2-CD 4.03Å; F687-K724 HydrophobicContact CE2-CG 3.93Å; F687-V725 HydrophobicContact CE2-CG2 4.31Å; F687-A730 HydrophobicContact CE1-CB 3.81Å; F687-A730 HydrophobicContact CZ-CB 3.72Å |
| 688 | D | 91.8 | Very high | 94.4 | Very high | 122 Ų | 122 | 34.8 Ų | 34.8 | 65% | 0.652 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -13.5 | -177.7 | -60.4 | -32.2 | 0 | 0 | 0 | 112.5 | G686 | G686-D688 VanDerWaalsContact C-N 3.33Å; G686-D688 PolarHBondContact O-N 2.66Å |
| 689 | Y | 94 | Very high | 94.4 | Very high | 54 Ų | 54 | 35.3 Ų | 35.3 | 21% | 0.212 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 22.4 | -179.7 | -65.2 | -89.6 | 0 | 0 | 0 | 113.2 | L649 Y652 E653 G686 F687 T691 D692 M693 | L649-Y689 HydrophobicContact CD2-CE2 3.95Å; L649-Y689 PolarHBondContact O-OH 3.22Å; Y652-Y689 HydrophobicContact CD2-CD1 4.49Å; Y652-Y689 AromaticContact CD2-CD2 3.67Å; Y652-Y689 HydrophobicContact CD2-CD2 3.67Å; Y652-Y689 AromaticContact CD2-CE2 3.95Å; Y652-Y689 HydrophobicContact CD2-CE2 3.95Å; Y652-Y689 AromaticContact CD2-CG 3.95Å; Y652-Y689 HydrophobicContact CD2-CG 3.95Å; Y652-Y689 HydrophobicContact CE2-CD2 4.46Å; Y652-Y689 HydrophobicContact CG-CD2 4.5Å; E653-Y689 HydrophobicContact CG-CD1 4.17Å; E653-Y689 HydrophobicContact CG-CE1 4.1Å; G686-Y689 PolarHBondContact O-N 3.38Å; F687-Y689 VanDerWaalsContact C-N 3.27Å; F687-Y689 PolarHBondContact O-N 3.34Å; Y689-T691 VanDerWaalsContact C-N 3.28Å; Y689-T691 PolarHBondContact O-N 3.17Å; Y689-D692 VanDerWaalsContact CA-OD2 3.3Å; Y689-D692 WeakPolarHBondContact CA-OD2 3.38Å; Y689-D692 WeakPolarHBondContact CD1-OD2 3.32Å; Y689-D692 PolarHBondContact O-N 3.36Å; Y689-M693 WeakPolarHBondContact O-CG 3.47Å; Y689-M693 PolarHBondContact O-N 2.87Å |
| 690 | F | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.9 | -34.4 | -178 | 179.5 | -96.3 | 0 | 0 | 0 | 112.4 | F682 D692 M693 M694 L697 M721 V725 A734 H737 A738 L741 | F682-F690 HydrophobicContact CD2-CD2 4.24Å; F682-F690 HydrophobicContact CE2-CB 4.16Å; F682-F690 AromaticContact CE2-CD2 3.76Å; F682-F690 HydrophobicContact CE2-CD2 3.76Å; F682-F690 HydrophobicContact CE2-CG 4.35Å; F682-F690 HydrophobicContact CZ-CD2 4.48Å; F690-D692 VanDerWaalsContact C-N 3.3Å; F690-M693 PolarHBondContact O-N 3.22Å; F690-M694 PolarHBondContact O-N 3.41Å; F690-L697 HydrophobicContact CE2-CD1 4.04Å; F690-M721 HydrophobicContact CD2-CB 4.4Å; F690-M721 HydrophobicContact CE2-CB 3.92Å; F690-V725 HydrophobicContact CB-CG2 4.1Å; F690-V725 HydrophobicContact CD1-CG1 4.36Å; F690-V725 HydrophobicContact CD1-CG2 3.95Å; F690-V725 HydrophobicContact CD2-CG2 3.72Å; F690-V725 HydrophobicContact CE1-CG2 4.34Å; F690-V725 HydrophobicContact CE2-CG2 4.12Å; F690-V725 HydrophobicContact CG-CG2 3.62Å; F690-V725 HydrophobicContact CZ-CG2 4.42Å; F690-A734 HydrophobicContact CD1-CB 4.37Å; F690-H737 HydrophobicContact CD1-CB 4.32Å; F690-H737 HydrophobicContact CE1-CB 3.98Å; F690-A738 HydrophobicContact CE1-CB 3.74Å; F690-A738 HydrophobicContact CZ-CB 3.95Å; F690-L741 HydrophobicContact CZ-CD2 4.47Å |
| 691 | T | 95.5 | Very high | 94.6 | Very high | 31 Ų | 31 | 29.2 Ų | 29.2 | 19% | 0.19 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.1 | -41.2 | 174.2 | 43.7 | 0 | 0 | 0 | 0 | 110.9 | Y689 M694 P695 D733 A734 | Y689-T691 VanDerWaalsContact C-N 3.28Å; Y689-T691 PolarHBondContact O-N 3.17Å; T691-M694 VanDerWaalsContact O-CB 3.3Å; T691-M694 WeakPolarHBondContact O-CB 3.43Å; T691-M694 PolarHBondContact O-N 2.97Å; T691-P695 WeakPolarHBondContact O-CD 3.5Å; T691-D733 WeakPolarHBondContact CG2-OD2 3.48Å; T691-A734 HydrophobicContact CG2-CB 4.22Å |
| 692 | D | 95.6 | Very high | 94.7 | Very high | 45 Ų | 45 | 30.6 Ų | 30.6 | 24% | 0.241 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -74 | -30.1 | 178.7 | -45.1 | -69.2 | 0 | 0 | 0 | 112.3 | F656 Y689 F690 M694 P695 | F656-D692 HydrophobicContact CB-CB 4.5Å; F656-D692 WeakPolarHBondContact CB-O 3.26Å; F656-D692 HydrophobicContact CD2-CB 3.99Å; Y689-D692 VanDerWaalsContact CA-OD2 3.3Å; Y689-D692 WeakPolarHBondContact CA-OD2 3.38Å; Y689-D692 WeakPolarHBondContact CD1-OD2 3.32Å; Y689-D692 PolarHBondContact O-N 3.36Å; F690-D692 VanDerWaalsContact C-N 3.3Å; D692-M694 VanDerWaalsContact C-N 3.29Å; D692-P695 WeakPolarHBondContact O-CD 3.5Å |
| 693 | M | 97.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -70.9 | -25.8 | 171.9 | -66.2 | 174.9 | -163 | 0 | 0 | 112.3 | F656 V678 V681 F682 G686 Y689 F690 L696 L697 | F656-M693 HydrophobicContact CD1-CG 4.19Å; F656-M693 HydrophobicContact CD2-CG 3.9Å; F656-M693 HydrophobicContact CE1-CG 3.88Å; F656-M693 HydrophobicContact CE2-CE 3.72Å; F656-M693 HydrophobicContact CE2-CG 3.57Å; F656-M693 HydrophobicContact CG-CG 4.24Å; F656-M693 HydrophobicContact CZ-CE 3.56Å; F656-M693 HydrophobicContact CZ-CG 3.59Å; F656-M693 HydrophobicContact CZ-SD 4.26Å; V678-M693 HydrophobicContact CG1-CG 4.01Å; V678-M693 HydrophobicContact CG1-SD 3.73Å; V681-M693 HydrophobicContact CG1-CE 4.49Å; F682-M693 HydrophobicContact CB-CE 3.99Å; F682-M693 HydrophobicContact CB-SD 3.99Å; F682-M693 HydrophobicContact CD2-CE 4.37Å; F682-M693 HydrophobicContact CD2-SD 4.05Å; F682-M693 HydrophobicContact CG-SD 4.44Å; G686-M693 WeakPolarHBondContact O-CE 3.38Å; Y689-M693 WeakPolarHBondContact O-CG 3.47Å; Y689-M693 PolarHBondContact O-N 2.87Å; F690-M693 PolarHBondContact O-N 3.22Å; M693-L696 WeakPolarHBondContact O-CB 3.3Å; M693-L696 PolarHBondContact O-N 2.92Å; M693-L697 HydrophobicContact CB-CD1 4.23Å; M693-L697 HydrophobicContact CB-CG 4.41Å; M693-L697 WeakPolarHBondContact O-CG 3.46Å; M693-L697 PolarHBondContact O-N 3.35Å |
| 694 | M | 95.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.8 | -46.7 | -169.9 | 178.5 | 62.6 | -175.8 | 0 | 0 | 113.7 | F690 T691 D692 L696 L697 H698 H737 K740 L741 Y945 | F690-M694 PolarHBondContact O-N 3.41Å; T691-M694 VanDerWaalsContact O-CB 3.3Å; T691-M694 WeakPolarHBondContact O-CB 3.43Å; T691-M694 PolarHBondContact O-N 2.97Å; D692-M694 VanDerWaalsContact C-N 3.29Å; M694-L696 VanDerWaalsContact C-N 3.29Å; M694-L696 PolarHBondContact O-N 3.25Å; M694-L697 PolarHBondContact O-N 3.38Å; M694-L697 VanDerWaalsContact O-N 3.13Å; M694-H698 HydrophobicContact CE-CB 4.42Å; M694-H698 WeakPolarHBondContact O-CB 3.41Å; M694-H698 PolarHBondContact O-N 3.33Å; M694-H737 HydrophobicContact CG-CB 4.33Å; M694-K740 HydrophobicContact CE-CG 4.44Å; M694-L741 HydrophobicContact CE-CB 3.65Å; M694-L741 HydrophobicContact CE-CD1 3.8Å; M694-L741 HydrophobicContact CE-CG 4.18Å; M694-L741 HydrophobicContact SD-CB 3.62Å; M694-L741 HydrophobicContact SD-CD1 3.88Å; M694-L741 HydrophobicContact SD-CD2 3.72Å; M694-L741 HydrophobicContact SD-CG 3.92Å; M694-Y945 HydrophobicContact CB-CE1 4.36Å; M694-Y945 HydrophobicContact CE-CD1 3.9Å; M694-Y945 HydrophobicContact CE-CD2 4.33Å; M694-Y945 HydrophobicContact CE-CE1 4.15Å; M694-Y945 HydrophobicContact CE-CG 3.99Å; M694-Y945 HydrophobicContact CG-CD1 4.2Å; M694-Y945 HydrophobicContact CG-CE1 3.51Å; M694-Y945 HydrophobicContact CG-CE2 4.07Å; M694-Y945 VanDerWaalsContact CG-CZ 3.43Å; M694-Y945 WeakPolarHBondContact CG-OH 3.43Å |
| 695 | P | 96.7 | Very high | 95 | Very high | 34 Ų | 34 | 24.9 Ų | 24.9 | 22% | 0.221 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -56.8 | -39.3 | 176.5 | -26.6 | 35.1 | 0 | 0 | 0 | 113.7 | H660 T691 D692 N699 Y945 | H660-P695 HydrophobicContact CB-CB 4.17Å; H660-P695 WeakPolarHBondContact ND1-CB 3.3Å; H660-P695 PolarHBondContact ND1-O 3.29Å; T691-P695 WeakPolarHBondContact O-CD 3.5Å; D692-P695 WeakPolarHBondContact O-CD 3.5Å; P695-N699 PolarHBondContact O-N 2.96Å; P695-N699 VanDerWaalsContact O-N 3.17Å; P695-Y945 HydrophobicContact CG-CE1 4.22Å |
| 696 | L | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -69 | -43.7 | 175.3 | 172.4 | 63.1 | 0 | 0 | 0 | 111.6 | F656 A659 T663 L674 V678 M693 M694 H698 N699 Y700 | F656-L696 HydrophobicContact CD1-CD2 4.24Å; A659-L696 HydrophobicContact CB-CD1 3.99Å; A659-L696 HydrophobicContact CB-CD2 3.74Å; A659-L696 HydrophobicContact CB-CG 4.38Å; T663-L696 HydrophobicContact CG2-CD1 3.9Å; L674-L696 HydrophobicContact CD2-CD2 4.5Å; V678-L696 HydrophobicContact CG2-CD2 4.06Å; M693-L696 WeakPolarHBondContact O-CB 3.3Å; M693-L696 PolarHBondContact O-N 2.92Å; M694-L696 VanDerWaalsContact C-N 3.29Å; M694-L696 PolarHBondContact O-N 3.25Å; L696-H698 VanDerWaalsContact C-N 3.32Å; L696-H698 PolarHBondContact O-N 3.31Å; L696-N699 PolarHBondContact O-N 2.77Å; L696-Y700 HydrophobicContact CD1-CD2 4.2Å; L696-Y700 HydrophobicContact CD1-CE2 3.57Å; L696-Y700 HydrophobicContact CD2-CE2 4.09Å; L696-Y700 HydrophobicContact CG-CD2 4.12Å; L696-Y700 HydrophobicContact CG-CE2 3.58Å; L696-Y700 VanDerWaalsContact O-CD2 3.23Å; L696-Y700 WeakPolarHBondContact O-CD2 3.36Å; L696-Y700 PolarHBondContact O-N 3.43Å; L696-Y700 VanDerWaalsContact O-N 3.11Å |
| 697 | L | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.1 | -37.1 | 178.5 | -63.7 | -179.4 | 0 | 0 | 0 | 112.2 | L675 F690 M693 M694 Y700 V701 I718 M721 L741 | L675-L697 HydrophobicContact CD1-CD2 3.8Å; F690-L697 HydrophobicContact CE2-CD1 4.04Å; M693-L697 HydrophobicContact CB-CD1 4.23Å; M693-L697 HydrophobicContact CB-CG 4.41Å; M693-L697 WeakPolarHBondContact O-CG 3.46Å; M693-L697 PolarHBondContact O-N 3.35Å; M694-L697 PolarHBondContact O-N 3.38Å; M694-L697 VanDerWaalsContact O-N 3.13Å; L697-Y700 HydrophobicContact CD2-CD2 4.35Å; L697-Y700 PolarHBondContact O-N 2.98Å; L697-V701 WeakPolarHBondContact O-CG2 3.23Å; L697-V701 PolarHBondContact O-N 2.82Å; L697-I718 HydrophobicContact CD2-CG1 4.37Å; L697-M721 HydrophobicContact CD1-CE 3.81Å; L697-M721 HydrophobicContact CD1-SD 4.4Å; L697-M721 HydrophobicContact CD2-CE 3.6Å; L697-M721 HydrophobicContact CG-CE 4.38Å; L697-L741 HydrophobicContact CB-CD1 4.48Å; L697-L741 HydrophobicContact CB-CD2 3.73Å; L697-L741 HydrophobicContact CD1-CD2 3.9Å; L697-L741 HydrophobicContact CG-CD2 4.47Å |
| 698 | H | 97.3 | Very high | 95.8 | Very high | 14 Ų | 14 | 27.7 Ų | 27.7 | 7% | 0.065 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.7 | -48.5 | 172.4 | 179.6 | -88.3 | 0 | 0 | 0 | 110.8 | M694 L696 Y700 V701 T702 Y945 S946 | M694-H698 HydrophobicContact CE-CB 4.42Å; M694-H698 WeakPolarHBondContact O-CB 3.41Å; M694-H698 PolarHBondContact O-N 3.33Å; L696-H698 VanDerWaalsContact C-N 3.32Å; L696-H698 PolarHBondContact O-N 3.31Å; H698-Y700 VanDerWaalsContact C-N 3.34Å; H698-Y700 PolarHBondContact O-N 3.17Å; H698-V701 CarbonylContact O-C 3.6Å; H698-V701 WeakPolarHBondContact O-CA 3.46Å; H698-V701 WeakPolarHBondContact O-CB 3.33Å; H698-V701 PolarHBondContact O-N 3.18Å; H698-T702 PolarHBondContact ND1-OG1 3.42Å; H698-T702 PolarHBondContact O-N 2.92Å; H698-T702 PolarHBondContact O-OG1 3.5Å; H698-Y945 HydrophobicContact CB-CD1 4.03Å; H698-Y945 AromaticContact CD2-CD1 3.91Å; H698-Y945 AromaticContact CG-CD1 3.97Å; H698-S946 PolarHBondContact CE1-O 3.39Å; H698-S946 PolarHBondContact NE2-O 3.43Å |
| 699 | N | 96.4 | Very high | 95.9 | Very high | 10 Ų | 10 | 24.2 Ų | 24.2 | 5% | 0.053 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.9 | -40.6 | 177 | -74.5 | -6 | 0 | 0 | 0 | 112.9 | H660 T663 C664 P695 L696 V701 T702 V703 | H660-N699 PolarHBondContact CE1-ND2 3.4Å; H660-N699 PolarHBondContact ND1-ND2 3.14Å; H660-N699 PolarHBondContact O-ND2 2.95Å; H660-N699 VanDerWaalsContact O-ND2 3.15Å; T663-N699 WeakPolarHBondContact OG1-CB 3.36Å; T663-N699 PolarHBondContact OG1-ND2 3.09Å; C664-N699 PolarHBondContact N-ND2 3.4Å; P695-N699 PolarHBondContact O-N 2.96Å; P695-N699 VanDerWaalsContact O-N 3.17Å; L696-N699 PolarHBondContact O-N 2.77Å; N699-V701 PolarHBondContact O-N 3.37Å; N699-T702 PolarHBondContact O-N 2.82Å; N699-V703 HydrophobicContact CB-CG2 4.16Å; N699-V703 VanDerWaalsContact O-CB 3.26Å; N699-V703 WeakPolarHBondContact O-CB 3.37Å; N699-V703 PolarHBondContact O-N 3.19Å |
| 700 | Y | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.9 | -29.4 | 173.8 | -76.8 | -60.9 | 0 | 0 | 0 | 112.9 | V667 M671 W672 L675 L696 L697 H698 | V667-Y700 HydrophobicContact CG1-CD1 3.71Å; V667-Y700 HydrophobicContact CG1-CE1 3.53Å; V667-Y700 HydrophobicContact CG2-CD1 4.47Å; M671-Y700 PolarHBondContact O-OH 3.49Å; W672-Y700 HydrophobicContact CD2-CD1 4Å; W672-Y700 HydrophobicContact CD2-CE1 4.12Å; W672-Y700 AromaticContact CE3-CD1 3.79Å; W672-Y700 HydrophobicContact CE3-CD1 3.79Å; W672-Y700 HydrophobicContact CE3-CE1 4.02Å; W672-Y700 AromaticContact CH2-CD1 3.71Å; W672-Y700 HydrophobicContact CH2-CD1 3.71Å; W672-Y700 HydrophobicContact CH2-CG 4.25Å; W672-Y700 AromaticContact CZ2-CD1 3.95Å; W672-Y700 HydrophobicContact CZ2-CD1 3.95Å; W672-Y700 AromaticContact CZ3-CD1 3.63Å; W672-Y700 HydrophobicContact CZ3-CD1 3.63Å; W672-Y700 HydrophobicContact CZ3-CE1 4.31Å; W672-Y700 HydrophobicContact CZ3-CG 4.22Å; L675-Y700 HydrophobicContact CB-CE1 4.44Å; L675-Y700 HydrophobicContact CB-CE2 4.06Å; L675-Y700 HydrophobicContact CD1-CD2 4.26Å; L675-Y700 HydrophobicContact CD1-CE2 4.21Å; L696-Y700 HydrophobicContact CD1-CD2 4.2Å; L696-Y700 HydrophobicContact CD1-CE2 3.57Å; L696-Y700 HydrophobicContact CD2-CE2 4.09Å; L696-Y700 HydrophobicContact CG-CD2 4.12Å; L696-Y700 HydrophobicContact CG-CE2 3.58Å; L696-Y700 VanDerWaalsContact O-CD2 3.23Å; L696-Y700 WeakPolarHBondContact O-CD2 3.36Å; L696-Y700 PolarHBondContact O-N 3.43Å; L696-Y700 VanDerWaalsContact O-N 3.11Å; L697-Y700 HydrophobicContact CD2-CD2 4.35Å; L697-Y700 PolarHBondContact O-N 2.98Å; H698-Y700 VanDerWaalsContact C-N 3.34Å; H698-Y700 PolarHBondContact O-N 3.17Å |
| 701 | V | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -84.7 | -48.7 | 179.5 | 177.4 | 0 | 0 | 0 | 0 | 111.5 | L697 H698 N699 T705 L708 I718 L741 V744 I745 Q748 | L697-V701 WeakPolarHBondContact O-CG2 3.23Å; L697-V701 PolarHBondContact O-N 2.82Å; H698-V701 CarbonylContact O-C 3.6Å; H698-V701 WeakPolarHBondContact O-CA 3.46Å; H698-V701 WeakPolarHBondContact O-CB 3.33Å; H698-V701 PolarHBondContact O-N 3.18Å; N699-V701 PolarHBondContact O-N 3.37Å; V701-T705 WeakPolarHBondContact O-CB 3.29Å; V701-T705 PolarHBondContact O-OG1 3.26Å; V701-L708 HydrophobicContact CB-CD2 4.38Å; V701-L708 HydrophobicContact CG1-CD2 4.4Å; V701-L708 HydrophobicContact CG2-CD2 4.02Å; V701-I718 HydrophobicContact CG2-CD1 4.08Å; V701-L741 HydrophobicContact CG2-CD1 4.2Å; V701-V744 HydrophobicContact CG1-CG1 4Å; V701-I745 HydrophobicContact CB-CG1 4.42Å; V701-I745 HydrophobicContact CG1-CB 4.43Å; V701-I745 HydrophobicContact CG1-CG1 3.8Å; V701-I745 HydrophobicContact CG2-CD1 4.28Å; V701-I745 HydrophobicContact CG2-CG1 3.68Å; V701-Q748 HydrophobicContact CG1-CB 4.01Å; V701-Q748 HydrophobicContact CG1-CG 4.08Å; V701-Q748 WeakPolarHBondContact O-CG 3.48Å |
| 702 | T | 95.2 | Very high | 95.5 | Very high | 33 Ų | 33 | 31.4 Ų | 31.4 | 20% | 0.202 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -87.7 | -34.5 | -168.4 | 55.6 | 0 | 0 | 0 | 0 | 113.5 | H698 N699 V744 Q748 | H698-T702 PolarHBondContact ND1-OG1 3.42Å; H698-T702 PolarHBondContact O-N 2.92Å; H698-T702 PolarHBondContact O-OG1 3.5Å; N699-T702 PolarHBondContact O-N 2.82Å; T702-V744 HydrophobicContact CG2-CG1 3.8Å; T702-Q748 PolarHBondContact O-NE2 3.31Å |
| 703 | V | 94.8 | Very high | 95.4 | Very high | 50 Ų | 50 | 34.9 Ų | 34.9 | 30% | 0.303 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -42.2 | -174.7 | -178.6 | 0 | 0 | 0 | 0 | 112.5 | C664 V667 N699 | C664-V703 WeakPolarHBondContact O-CG2 3.36Å; V667-V703 HydrophobicContact CG2-CB 4.11Å; V667-V703 HydrophobicContact CG2-CG1 4.18Å; N699-V703 HydrophobicContact CB-CG2 4.16Å; N699-V703 VanDerWaalsContact O-CB 3.26Å; N699-V703 WeakPolarHBondContact O-CB 3.37Å; N699-V703 PolarHBondContact O-N 3.19Å |
| 704 | D | 94.7 | Very high | 95.3 | Very high | 33 Ų | 33 | 37 Ų | 37 | 18% | 0.176 | 21% | 0.206 | C | C | . | . | trans | -131.3 | 58.8 | -179.5 | -170.9 | 8.8 | 0 | 0 | 0 | 112.8 | V667 W672 D706 T707 L708 | V667-D704 HydrophobicContact CB-CB 3.83Å; V667-D704 HydrophobicContact CG2-CB 3.81Å; W672-D704 HydrophobicContact CZ2-CB 4.13Å; W672-D704 WeakPolarHBondContact CZ2-O 3.26Å; W672-D704 PolarHBondContact NE1-OD2 2.93Å; D704-D706 PolarHBondContact O-N 3.27Å; D704-D706 VanDerWaalsContact O-N 3.14Å; D704-T707 PolarHBondContact O-N 3.34Å; D704-T707 PolarHBondContact OD1-N 2.9Å; D704-T707 VanDerWaalsContact OD1-N 3.15Å; D704-T707 PolarHBondContact OD1-OG1 3.34Å; D704-T707 VanDerWaalsContact OD1-OG1 3.08Å; D704-T707 WeakPolarHBondContact OD2-CB 3.27Å; D704-T707 PolarHBondContact OD2-OG1 3.12Å; D704-L708 PolarHBondContact O-N 3.32Å | ||
| 705 | T | 94.7 | Very high | 95.3 | Very high | 10 Ų | 10 | 37.8 Ų | 37.8 | 6% | 0.061 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.7 | -27.5 | 177.4 | -40.9 | 0 | 0 | 0 | 0 | 112.7 | V701 L709 Q748 | V701-T705 WeakPolarHBondContact O-CB 3.29Å; V701-T705 PolarHBondContact O-OG1 3.26Å; T705-L709 HydrophobicContact CG2-CD1 4.16Å; T705-L709 HydrophobicContact CG2-CG 4.49Å; T705-L709 VanDerWaalsContact O-CG 3.32Å; T705-L709 WeakPolarHBondContact O-CG 3.36Å; T705-L709 PolarHBondContact O-N 3.36Å; T705-Q748 HydrophobicContact CG2-CG 3.94Å; T705-Q748 WeakPolarHBondContact OG1-CG 3.46Å; T705-Q748 PolarHBondContact OG1-NE2 2.91Å; T705-Q748 VanDerWaalsContact OG1-NE2 3.15Å |
| 706 | D | 95 | Very high | 95.3 | Very high | 105 Ų | 105 | 41.5 Ų | 41.5 | 56% | 0.561 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -66.4 | -47.3 | 180 | -76.2 | 0.5 | 0 | 0 | 0 | 111.7 | D704 L709 S710 R752 | D704-D706 PolarHBondContact O-N 3.27Å; D704-D706 VanDerWaalsContact O-N 3.14Å; D706-L709 PolarHBondContact O-N 3.03Å; D706-S710 PolarHBondContact O-N 3.41Å; D706-R752 IonicContact OD1-CZ 3.52Å; D706-R752 IonicContact OD1-NH1 2.7Å; D706-R752 PolarHBondContact OD1-NH1 2.92Å; D706-R752 IonicContact OD1-NH2 3.44Å; D706-R752 PolarHBondContact OD1-NH2 3.39Å |
| 707 | T | 95.2 | Very high | 95.3 | Very high | 41 Ų | 41 | 43.2 Ų | 43.2 | 25% | 0.252 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -69.4 | -38.2 | 177.3 | -57.3 | 0 | 0 | 0 | 0 | 111.5 | W672 D704 L709 S710 Y714 | W672-T707 HydrophobicContact CD2-CG2 3.81Å; W672-T707 VanDerWaalsContact CE2-CG2 3.46Å; W672-T707 HydrophobicContact CG-CG2 3.98Å; W672-T707 HydrophobicContact CZ2-CG2 4Å; D704-T707 PolarHBondContact O-N 3.34Å; D704-T707 PolarHBondContact OD1-N 2.9Å; D704-T707 VanDerWaalsContact OD1-N 3.15Å; D704-T707 PolarHBondContact OD1-OG1 3.34Å; D704-T707 VanDerWaalsContact OD1-OG1 3.08Å; D704-T707 WeakPolarHBondContact OD2-CB 3.27Å; D704-T707 PolarHBondContact OD2-OG1 3.12Å; T707-L709 PolarHBondContact O-N 3.09Å; T707-S710 WeakPolarHBondContact O-CB 3.48Å; T707-S710 PolarHBondContact O-N 2.95Å; T707-S710 PolarHBondContact O-OG 3.44Å; T707-Y714 HydrophobicContact CG2-CE2 4.31Å |
| 708 | L | 95.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -51.2 | -43.8 | 173.6 | 179.1 | 66.3 | 0 | 0 | 0 | 112 | W672 V701 D704 L715 I718 | W672-L708 HydrophobicContact CH2-CB 3.75Å; W672-L708 HydrophobicContact CH2-CD1 4.07Å; W672-L708 HydrophobicContact CZ2-CB 4.35Å; W672-L708 HydrophobicContact CZ3-CD1 4.35Å; V701-L708 HydrophobicContact CB-CD2 4.38Å; V701-L708 HydrophobicContact CG1-CD2 4.4Å; V701-L708 HydrophobicContact CG2-CD2 4.02Å; D704-L708 PolarHBondContact O-N 3.32Å; L708-L715 HydrophobicContact CD1-CB 4.42Å; L708-I718 HydrophobicContact CD1-CD1 3.84Å |
| 709 | L | 94.9 | Very high | 95.3 | Very high | 48 Ų | 48 | 44 Ų | 44 | 25% | 0.251 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -84.6 | -9.2 | -177.7 | -63.4 | 177.2 | 0 | 0 | 0 | 113.6 | T705 D706 T707 R752 I754 | T705-L709 HydrophobicContact CG2-CD1 4.16Å; T705-L709 HydrophobicContact CG2-CG 4.49Å; T705-L709 VanDerWaalsContact O-CG 3.32Å; T705-L709 WeakPolarHBondContact O-CG 3.36Å; T705-L709 PolarHBondContact O-N 3.36Å; D706-L709 PolarHBondContact O-N 3.03Å; T707-L709 PolarHBondContact O-N 3.09Å; L709-R752 HydrophobicContact CD1-CB 3.67Å; L709-R752 HydrophobicContact CD1-CG 4.48Å; L709-I754 HydrophobicContact CD2-CG2 3.57Å |
| 710 | S | 93.4 | Very high | 95.4 | Very high | 90 Ų | 90 | 45.7 Ų | 45.7 | 63% | 0.629 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -76.2 | -29.1 | -178.5 | 77.1 | 0 | 0 | 0 | 0 | 113.6 | D706 T707 | D706-S710 PolarHBondContact O-N 3.41Å; T707-S710 WeakPolarHBondContact O-CB 3.48Å; T707-S710 PolarHBondContact O-N 2.95Å; T707-S710 PolarHBondContact O-OG 3.44Å |
| 711 | D | 92 | Very high | 95.4 | Very high | 57 Ų | 57 | 45.7 Ų | 45.7 | 31% | 0.305 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -129.5 | 117.9 | 173.6 | -171 | -17.9 | 0 | 0 | 0 | 109.4 | K713 Y714 | D711-K713 PolarHBondContact O-N 2.81Å; D711-K713 WeakPolarHBondContact OD1-CB 3.2Å; D711-K713 WeakPolarHBondContact OD1-CG 3.48Å; D711-K713 PolarHBondContact OD1-N 3.4Å; D711-K713 VanDerWaalsContact OD1-N 3.07Å; D711-Y714 HydrophobicContact CB-CD2 3.89Å; D711-Y714 HydrophobicContact CB-CE2 3.92Å; D711-Y714 PolarHBondContact O-N 3.14Å; D711-Y714 VanDerWaalsContact O-N 3.15Å |
| 712 | T | 90.5 | Very high | 95.4 | Very high | 89 Ų | 89 | 45.7 Ų | 45.7 | 55% | 0.546 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.4 | -23.3 | -176.6 | 64.1 | 0 | 0 | 0 | 0 | 112.7 | Y714 L715 E716 | T712-Y714 VanDerWaalsContact C-N 3.28Å; T712-Y714 PolarHBondContact O-N 3.45Å; T712-L715 PolarHBondContact O-N 3.04Å; T712-E716 WeakPolarHBondContact O-CB 3.5Å; T712-E716 VanDerWaalsContact O-CG 3.24Å; T712-E716 WeakPolarHBondContact O-CG 3.5Å; T712-E716 PolarHBondContact O-N 3.4Å; T712-E716 PolarHBondContact OG1-OE1 3.08Å |
| 713 | K | 94.3 | Very high | 95.5 | Very high | 119 Ų | 119 | 48.1 Ų | 48.1 | 52% | 0.517 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60 | -35.3 | 178.4 | -68 | 175.7 | -173.3 | 168.3 | 0 | 113.4 | D711 E716 M717 | D711-K713 PolarHBondContact O-N 2.81Å; D711-K713 WeakPolarHBondContact OD1-CB 3.2Å; D711-K713 WeakPolarHBondContact OD1-CG 3.48Å; D711-K713 PolarHBondContact OD1-N 3.4Å; D711-K713 VanDerWaalsContact OD1-N 3.07Å; K713-E716 PolarHBondContact O-N 3.37Å; K713-M717 VanDerWaalsContact O-CG 3.28Å; K713-M717 WeakPolarHBondContact O-CG 3.38Å; K713-M717 PolarHBondContact O-N 3.35Å |
| 714 | Y | 96.1 | Very high | 95.6 | Very high | 44 Ų | 44 | 49.4 Ų | 49.4 | 17% | 0.173 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.7 | -49.1 | -178.6 | -65.1 | -46 | 0 | 0 | 0 | 110.8 | W672 L675 T707 D711 T712 E716 M717 I718 | W672-Y714 HydrophobicContact CD2-CE2 4.43Å; W672-Y714 AromaticContact CE3-CD1 3.91Å; W672-Y714 HydrophobicContact CE3-CD1 3.91Å; W672-Y714 AromaticContact CE3-CD2 3.91Å; W672-Y714 HydrophobicContact CE3-CD2 3.91Å; W672-Y714 AromaticContact CE3-CE1 3.89Å; W672-Y714 HydrophobicContact CE3-CE1 3.89Å; W672-Y714 AromaticContact CE3-CE2 3.92Å; W672-Y714 HydrophobicContact CE3-CE2 3.92Å; W672-Y714 AromaticContact CE3-CG 3.91Å; W672-Y714 HydrophobicContact CE3-CG 3.91Å; W672-Y714 AromaticContact CE3-CZ 3.89Å; W672-Y714 HydrophobicContact CZ3-CD1 4.07Å; W672-Y714 AromaticContact CZ3-CD2 3.88Å; W672-Y714 HydrophobicContact CZ3-CD2 3.88Å; W672-Y714 HydrophobicContact CZ3-CE1 4.5Å; W672-Y714 HydrophobicContact CZ3-CE2 4.36Å; W672-Y714 AromaticContact CZ3-CG 3.72Å; W672-Y714 HydrophobicContact CZ3-CG 3.72Å; L675-Y714 HydrophobicContact CD2-CD1 3.73Å; L675-Y714 HydrophobicContact CD2-CG 4.25Å; T707-Y714 HydrophobicContact CG2-CE2 4.31Å; D711-Y714 HydrophobicContact CB-CD2 3.89Å; D711-Y714 HydrophobicContact CB-CE2 3.92Å; D711-Y714 PolarHBondContact O-N 3.14Å; D711-Y714 VanDerWaalsContact O-N 3.15Å; T712-Y714 VanDerWaalsContact C-N 3.28Å; T712-Y714 PolarHBondContact O-N 3.45Å; Y714-E716 VanDerWaalsContact C-N 3.3Å; Y714-E716 PolarHBondContact O-N 2.87Å; Y714-M717 PolarHBondContact O-N 2.82Å; Y714-I718 WeakPolarHBondContact O-CG1 3.29Å; Y714-I718 PolarHBondContact O-N 3.44Å; Y714-I718 VanDerWaalsContact O-N 3.17Å |
| 715 | L | 95.4 | Very high | 95.7 | Very high | 16 Ų | 16 | 47.8 Ų | 47.8 | 8% | 0.084 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.3 | -37.5 | 175.2 | -173.9 | 61.2 | 0 | 0 | 0 | 112 | L708 T712 I718 Y719 I745 I754 F761 | L708-L715 HydrophobicContact CD1-CB 4.42Å; T712-L715 PolarHBondContact O-N 3.04Å; L715-I718 PolarHBondContact O-N 3.36Å; L715-Y719 VanDerWaalsContact O-CB 3.31Å; L715-Y719 WeakPolarHBondContact O-CB 3.33Å; L715-Y719 PolarHBondContact O-N 2.84Å; L715-I745 HydrophobicContact CD1-CD1 4.24Å; L715-I745 HydrophobicContact CD1-CG2 3.81Å; L715-I754 HydrophobicContact CD2-CG2 4.15Å; L715-F761 HydrophobicContact CD1-CZ 4.24Å |
| 716 | E | 95.9 | Very high | 95.8 | Very high | 112 Ų | 112 | 47.4 Ų | 47.4 | 52% | 0.523 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.6 | -40 | 175.3 | -74.9 | 168 | -154 | 0 | 0 | 112.6 | T712 K713 Y714 S720 | T712-E716 WeakPolarHBondContact O-CB 3.5Å; T712-E716 VanDerWaalsContact O-CG 3.24Å; T712-E716 WeakPolarHBondContact O-CG 3.5Å; T712-E716 PolarHBondContact O-N 3.4Å; T712-E716 PolarHBondContact OG1-OE1 3.08Å; K713-E716 PolarHBondContact O-N 3.37Å; Y714-E716 VanDerWaalsContact C-N 3.3Å; Y714-E716 PolarHBondContact O-N 2.87Å; E716-S720 VanDerWaalsContact O-CB 3.23Å; E716-S720 WeakPolarHBondContact O-CB 3.36Å; E716-S720 PolarHBondContact O-N 3.15Å |
| 717 | M | 97.4 | Very high | 95.6 | Very high | 37 Ų | 37 | 45.3 Ų | 45.3 | 18% | 0.182 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.1 | -51.8 | 175.8 | -73.3 | 171.2 | -177.4 | 0 | 0 | 110.9 | L675 P676 F679 K713 Y714 Y719 S720 M721 | L675-M717 HydrophobicContact CG-SD 4.36Å; P676-M717 HydrophobicContact CB-CE 4.13Å; P676-M717 HydrophobicContact CB-SD 4.42Å; P676-M717 HydrophobicContact CG-CE 4.14Å; P676-M717 HydrophobicContact CG-SD 4.25Å; F679-M717 HydrophobicContact CB-CB 4.43Å; F679-M717 HydrophobicContact CB-CG 4.34Å; F679-M717 HydrophobicContact CB-SD 4.4Å; F679-M717 HydrophobicContact CD1-CG 4.05Å; F679-M717 HydrophobicContact CD2-CB 4.04Å; F679-M717 HydrophobicContact CD2-CG 4.29Å; F679-M717 HydrophobicContact CE1-CG 4.38Å; F679-M717 HydrophobicContact CE2-CB 4.46Å; F679-M717 HydrophobicContact CG-CB 4.14Å; F679-M717 HydrophobicContact CG-CG 3.97Å; K713-M717 VanDerWaalsContact O-CG 3.28Å; K713-M717 WeakPolarHBondContact O-CG 3.38Å; K713-M717 PolarHBondContact O-N 3.35Å; Y714-M717 PolarHBondContact O-N 2.82Å; M717-Y719 PolarHBondContact O-N 3.2Å; M717-S720 PolarHBondContact O-N 2.72Å; M717-S720 VanDerWaalsContact O-N 3.15Å; M717-M721 WeakPolarHBondContact O-CG 3.47Å; M717-M721 PolarHBondContact O-N 2.91Å |
| 718 | I | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.8 | -47.9 | -179.6 | -61.5 | 178 | 0 | 0 | 0 | 110.8 | L675 L697 V701 L708 Y714 L715 S720 M721 C722 L741 I745 | L675-I718 HydrophobicContact CD1-CG1 4.36Å; L675-I718 HydrophobicContact CD2-CG1 4.46Å; L697-I718 HydrophobicContact CD2-CG1 4.37Å; V701-I718 HydrophobicContact CG2-CD1 4.08Å; L708-I718 HydrophobicContact CD1-CD1 3.84Å; Y714-I718 WeakPolarHBondContact O-CG1 3.29Å; Y714-I718 PolarHBondContact O-N 3.44Å; Y714-I718 VanDerWaalsContact O-N 3.17Å; L715-I718 PolarHBondContact O-N 3.36Å; I718-S720 VanDerWaalsContact C-N 3.34Å; I718-S720 PolarHBondContact O-N 3.37Å; I718-M721 HydrophobicContact CG1-CE 4.37Å; I718-M721 PolarHBondContact O-N 3.13Å; I718-C722 PolarHBondContact O-N 3.35Å; I718-C722 VanDerWaalsContact O-N 3.07Å; I718-C722 PolarHBondContact O-SG 2.98Å; I718-L741 HydrophobicContact CG2-CD2 3.6Å; I718-L741 HydrophobicContact CG2-CG 4.11Å; I718-I745 HydrophobicContact CG2-CD1 3.84Å |
| 719 | Y | 97.6 | Very high | 94.6 | Very high | 30 Ų | 30 | 50.8 Ų | 50.8 | 12% | 0.118 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.7 | -41.9 | 175.7 | 167.7 | -114.4 | 0 | 0 | 0 | 112.3 | L715 M717 M721 C722 K723 L742 L760 F761 A764 | L715-Y719 VanDerWaalsContact O-CB 3.31Å; L715-Y719 WeakPolarHBondContact O-CB 3.33Å; L715-Y719 PolarHBondContact O-N 2.84Å; M717-Y719 PolarHBondContact O-N 3.2Å; Y719-M721 VanDerWaalsContact C-N 3.25Å; Y719-M721 PolarHBondContact O-N 3.25Å; Y719-C722 PolarHBondContact O-N 3.36Å; Y719-K723 HydrophobicContact CE1-CD 4.3Å; Y719-K723 HydrophobicContact CE2-CB 4.18Å; Y719-K723 VanDerWaalsContact O-CB 3.32Å; Y719-K723 WeakPolarHBondContact O-CB 3.44Å; Y719-K723 PolarHBondContact O-N 3.14Å; Y719-L742 HydrophobicContact CD2-CD2 4.12Å; Y719-L760 HydrophobicContact CE1-CB 4.29Å; Y719-L760 HydrophobicContact CE1-CD1 4.28Å; Y719-L760 HydrophobicContact CE2-CB 4.14Å; Y719-L760 WeakPolarHBondContact OH-CB 3.27Å; Y719-F761 AromaticContact CD2-CD1 3.4Å; Y719-F761 HydrophobicContact CD2-CD1 3.4Å; Y719-F761 VanDerWaalsContact CD2-CD1 3.4Å; Y719-F761 AromaticContact CD2-CE1 3.41Å; Y719-F761 HydrophobicContact CD2-CE1 3.41Å; Y719-F761 VanDerWaalsContact CD2-CE1 3.41Å; Y719-F761 AromaticContact CE2-CD1 3.75Å; Y719-F761 HydrophobicContact CE2-CD1 3.75Å; Y719-F761 HydrophobicContact CE2-CE1 4.16Å; Y719-F761 HydrophobicContact CG-CD1 4.17Å; Y719-F761 AromaticContact CG-CE1 3.73Å; Y719-F761 HydrophobicContact CG-CE1 3.73Å; Y719-A764 HydrophobicContact CE2-CB 4.44Å |
| 720 | S | 97.4 | Very high | 94.1 | Very high | 46 Ų | 46 | 49.8 Ų | 49.8 | 32% | 0.322 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.3 | -32.2 | 179.4 | -176.7 | 0 | 0 | 0 | 0 | 112.1 | E716 M717 I718 K724 | E716-S720 VanDerWaalsContact O-CB 3.23Å; E716-S720 WeakPolarHBondContact O-CB 3.36Å; E716-S720 PolarHBondContact O-N 3.15Å; M717-S720 PolarHBondContact O-N 2.72Å; M717-S720 VanDerWaalsContact O-N 3.15Å; I718-S720 VanDerWaalsContact C-N 3.34Å; I718-S720 PolarHBondContact O-N 3.37Å; S720-K724 WeakPolarHBondContact O-CB 3.45Å; S720-K724 PolarHBondContact O-N 3.42Å; S720-K724 VanDerWaalsContact O-N 3.12Å |
| 721 | M | 97.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.3 | -54 | 173.2 | -63.8 | -173.9 | -79.8 | 0 | 0 | 110.3 | L675 F679 F682 F690 L697 M717 I718 Y719 K723 K724 V725 | L675-M721 HydrophobicContact CD1-CE 4.21Å; F679-M721 HydrophobicContact CD2-CE 4.43Å; F679-M721 HydrophobicContact CD2-CG 3.6Å; F679-M721 HydrophobicContact CD2-SD 3.98Å; F679-M721 HydrophobicContact CE2-CG 3.96Å; F682-M721 HydrophobicContact CB-SD 4.06Å; F682-M721 HydrophobicContact CD1-CB 4.1Å; F682-M721 HydrophobicContact CD1-CG 3.51Å; F682-M721 HydrophobicContact CD1-SD 4.15Å; F682-M721 HydrophobicContact CE1-CB 3.82Å; F682-M721 HydrophobicContact CE1-CG 3.72Å; F682-M721 HydrophobicContact CE2-CB 4.44Å; F682-M721 HydrophobicContact CG-CB 4.5Å; F682-M721 HydrophobicContact CG-CG 3.92Å; F682-M721 HydrophobicContact CG-SD 3.98Å; F682-M721 HydrophobicContact CZ-CB 4.01Å; F682-M721 HydrophobicContact CZ-CG 4.33Å; F690-M721 HydrophobicContact CD2-CB 4.4Å; F690-M721 HydrophobicContact CE2-CB 3.92Å; L697-M721 HydrophobicContact CD1-CE 3.81Å; L697-M721 HydrophobicContact CD1-SD 4.4Å; L697-M721 HydrophobicContact CD2-CE 3.6Å; L697-M721 HydrophobicContact CG-CE 4.38Å; M717-M721 WeakPolarHBondContact O-CG 3.47Å; M717-M721 PolarHBondContact O-N 2.91Å; I718-M721 HydrophobicContact CG1-CE 4.37Å; I718-M721 PolarHBondContact O-N 3.13Å; Y719-M721 VanDerWaalsContact C-N 3.25Å; Y719-M721 PolarHBondContact O-N 3.25Å; M721-K723 VanDerWaalsContact C-N 3.28Å; M721-K723 PolarHBondContact O-N 3.29Å; M721-K724 PolarHBondContact O-N 3.05Å; M721-V725 WeakPolarHBondContact O-CG2 3.46Å; M721-V725 PolarHBondContact O-N 3.43Å |
| 722 | C | 98 | Very high | 93.9 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -54.3 | -44.8 | 178.1 | -61 | 0 | 0 | 0 | 0 | 111.9 | I718 Y719 V725 L726 A738 L742 | I718-C722 PolarHBondContact O-N 3.35Å; I718-C722 VanDerWaalsContact O-N 3.07Å; I718-C722 PolarHBondContact O-SG 2.98Å; Y719-C722 PolarHBondContact O-N 3.36Å; C722-V725 PolarHBondContact O-N 3.29Å; C722-L726 WeakPolarHBondContact O-CB 3.25Å; C722-L726 WeakPolarHBondContact O-CG 3.35Å; C722-L726 PolarHBondContact O-N 2.69Å; C722-A738 HydrophobicContact CB-CB 4.17Å; C722-L742 HydrophobicContact CB-CD1 4.26Å; C722-L742 HydrophobicContact CB-CD2 3.84Å; C722-L742 HydrophobicContact CB-CG 3.95Å |
| 723 | K | 97.4 | Very high | 94 | Very high | 83 Ų | 83 | 46.5 Ų | 46.5 | 36% | 0.361 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 177.8 | -175.9 | 178.5 | -172.8 | 161.2 | 0 | 112 | Y719 M721 V725 L726 T727 | Y719-K723 HydrophobicContact CE1-CD 4.3Å; Y719-K723 HydrophobicContact CE2-CB 4.18Å; Y719-K723 VanDerWaalsContact O-CB 3.32Å; Y719-K723 WeakPolarHBondContact O-CB 3.44Å; Y719-K723 PolarHBondContact O-N 3.14Å; M721-K723 VanDerWaalsContact C-N 3.28Å; M721-K723 PolarHBondContact O-N 3.29Å; K723-V725 VanDerWaalsContact C-N 3.3Å; K723-V725 PolarHBondContact O-N 3.48Å; K723-L726 PolarHBondContact O-N 3.32Å; K723-T727 HydrophobicContact CG-CG2 4.35Å; K723-T727 WeakPolarHBondContact O-CB 3.48Å; K723-T727 WeakPolarHBondContact O-CG2 3.47Å; K723-T727 PolarHBondContact O-N 3.48Å; K723-T727 PolarHBondContact O-OG1 3.25Å |
| 724 | K | 96.4 | Very high | 94 | Very high | 77 Ų | 77 | 41.2 Ų | 41.2 | 34% | 0.335 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64 | -38.7 | 179.8 | -169 | -170.9 | 176.4 | -170.2 | 0 | 110.6 | F682 F687 S720 M721 G728 | F682-K724 HydrophobicContact CD1-CD 4.37Å; F682-K724 HydrophobicContact CE1-CB 3.95Å; F682-K724 HydrophobicContact CE1-CD 3.46Å; F682-K724 VanDerWaalsContact CE1-CD 3.46Å; F682-K724 HydrophobicContact CE1-CG 4.27Å; F682-K724 HydrophobicContact CZ-CB 4.05Å; F682-K724 HydrophobicContact CZ-CD 3.88Å; F682-K724 HydrophobicContact CZ-CG 4.39Å; F682-K724 PolarHBondContact O-NZ 3.16Å; F687-K724 HydrophobicContact CD2-CD 4Å; F687-K724 HydrophobicContact CD2-CG 4.41Å; F687-K724 HydrophobicContact CE2-CD 4.03Å; F687-K724 HydrophobicContact CE2-CG 3.93Å; S720-K724 WeakPolarHBondContact O-CB 3.45Å; S720-K724 PolarHBondContact O-N 3.42Å; S720-K724 VanDerWaalsContact O-N 3.12Å; M721-K724 PolarHBondContact O-N 3.05Å; K724-G728 VanDerWaalsContact O-CA 3.32Å; K724-G728 WeakPolarHBondContact O-CA 3.38Å; K724-G728 PolarHBondContact O-N 2.88Å |
| 725 | V | 97 | Very high | 94 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64 | -54.9 | 173.9 | 176.3 | 0 | 0 | 0 | 0 | 110.8 | F682 F687 F690 M721 C722 K723 T727 G728 A730 A734 E735 A738 | F682-V725 HydrophobicContact CE2-CG2 3.92Å; F682-V725 HydrophobicContact CZ-CG2 3.83Å; F687-V725 HydrophobicContact CE2-CG2 4.31Å; F690-V725 HydrophobicContact CB-CG2 4.1Å; F690-V725 HydrophobicContact CD1-CG1 4.36Å; F690-V725 HydrophobicContact CD1-CG2 3.95Å; F690-V725 HydrophobicContact CD2-CG2 3.72Å; F690-V725 HydrophobicContact CE1-CG2 4.34Å; F690-V725 HydrophobicContact CE2-CG2 4.12Å; F690-V725 HydrophobicContact CG-CG2 3.62Å; F690-V725 HydrophobicContact CZ-CG2 4.42Å; M721-V725 WeakPolarHBondContact O-CG2 3.46Å; M721-V725 PolarHBondContact O-N 3.43Å; C722-V725 PolarHBondContact O-N 3.29Å; K723-V725 VanDerWaalsContact C-N 3.3Å; K723-V725 PolarHBondContact O-N 3.48Å; V725-T727 PolarHBondContact O-N 3.05Å; V725-T727 VanDerWaalsContact O-N 3.09Å; V725-G728 PolarHBondContact O-N 3.45Å; V725-G728 VanDerWaalsContact O-N 3.15Å; V725-A730 HydrophobicContact CG1-CB 3.83Å; V725-A734 VanDerWaalsContact CG1-C 3.49Å; V725-A734 HydrophobicContact CG1-CB 3.93Å; V725-A734 VanDerWaalsContact CG1-O 3.31Å; V725-A734 WeakPolarHBondContact CG1-O 3.39Å; V725-E735 HydrophobicContact CG1-CG 4.13Å; V725-A738 HydrophobicContact CB-CB 3.97Å; V725-A738 HydrophobicContact CG1-CB 3.82Å |
| 726 | L | 95.7 | Very high | 94 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.3 | -14.2 | -178 | -72.6 | 170.5 | 0 | 0 | 0 | 115.2 | C722 K723 E735 A738 A739 L742 A764 R768 R771 | C722-L726 WeakPolarHBondContact O-CB 3.25Å; C722-L726 WeakPolarHBondContact O-CG 3.35Å; C722-L726 PolarHBondContact O-N 2.69Å; K723-L726 PolarHBondContact O-N 3.32Å; L726-E735 HydrophobicContact CD2-CB 4.24Å; L726-E735 WeakPolarHBondContact CD2-O 3.35Å; L726-A738 HydrophobicContact CD1-CB 4.37Å; L726-A738 HydrophobicContact CD2-CB 4.32Å; L726-A738 HydrophobicContact CG-CB 3.91Å; L726-A739 HydrophobicContact CD2-CB 4.44Å; L726-L742 HydrophobicContact CD1-CD1 3.69Å; L726-A764 HydrophobicContact CD1-CB 4.25Å; L726-R768 HydrophobicContact CD2-CB 4.33Å; L726-R768 HydrophobicContact CD2-CG 4.3Å; L726-R768 WeakPolarHBondContact O-CD 3.42Å; L726-R771 VanDerWaalsContact C-NH2 3.33Å; L726-R771 PolarHBondContact O-NH2 2.74Å |
| 727 | T | 91.8 | Very high | 94.1 | Very high | 62 Ų | 62 | 34.3 Ų | 34.3 | 38% | 0.38 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -113.3 | -12.1 | 177 | 58.3 | 0 | 0 | 0 | 0 | 113 | K723 V725 R771 | K723-T727 HydrophobicContact CG-CG2 4.35Å; K723-T727 WeakPolarHBondContact O-CB 3.48Å; K723-T727 WeakPolarHBondContact O-CG2 3.47Å; K723-T727 PolarHBondContact O-N 3.48Å; K723-T727 PolarHBondContact O-OG1 3.25Å; V725-T727 PolarHBondContact O-N 3.05Å; V725-T727 VanDerWaalsContact O-N 3.09Å; T727-R771 PolarHBondContact O-NH1 3.45Å |
| 728 | G | 86.5 | Confident | 94.1 | Very high | 19 Ų | 19 | 32.5 Ų | 32.5 | 20% | 0.196 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -154.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | K724 V725 R771 | K724-G728 VanDerWaalsContact O-CA 3.32Å; K724-G728 WeakPolarHBondContact O-CA 3.38Å; K724-G728 PolarHBondContact O-N 2.88Å; V725-G728 PolarHBondContact O-N 3.45Å; V725-G728 VanDerWaalsContact O-N 3.15Å; G728-R771 PolarHBondContact O-NH1 2.83Å |
| 729 | V | 83.8 | Confident | 94.1 | Very high | 137 Ų | 137 | 32.5 Ų | 32.5 | 83% | 0.83 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -126.6 | 59 | 179.4 | -164.7 | 0 | 0 | 0 | 0 | 108.8 | ||
| 730 | A | 83.6 | Confident | 94.1 | Very high | 27 Ų | 27 | 31.1 Ų | 31.1 | 22% | 0.223 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -85.3 | -16.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | F687 V725 A734 | F687-A730 HydrophobicContact CE1-CB 3.81Å; F687-A730 HydrophobicContact CZ-CB 3.72Å; V725-A730 HydrophobicContact CG1-CB 3.83Å; A730-A734 HydrophobicContact CB-CB 3.72Å |
| 731 | G | 89.2 | Confident | 94.1 | Very high | 38 Ų | 38 | 29 Ų | 29 | 39% | 0.392 | 17% | 0.171 | S | C | . | . | trans | 96.2 | 155.8 | -167.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | D733 E735 | G731-D733 VanDerWaalsContact C-N 3.28Å; G731-D733 PolarHBondContact O-N 3.4Å; G731-E735 VanDerWaalsContact O-CG 3.25Å; G731-E735 WeakPolarHBondContact O-CG 3.25Å; G731-E735 PolarHBondContact O-N 3.18Å | ||
| 732 | E | 91.7 | Very high | 94.1 | Very high | 34 Ų | 34 | 29 Ų | 29 | 16% | 0.159 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.1 | -30.9 | -172.6 | -62.1 | -160.6 | 158.3 | 0 | 0 | 112.6 | E735 C736 R768 K774 T775 L778 | E732-E735 CarbonylContact O-C 3.59Å; E732-E735 WeakPolarHBondContact O-CB 3.44Å; E732-E735 PolarHBondContact O-N 3Å; E732-C736 PolarHBondContact O-N 2.96Å; E732-C736 PolarHBondContact O-SG 3.44Å; E732-R768 IonicContact OE1-NH2 2.66Å; E732-K774 WeakPolarHBondContact OE1-CB 3.46Å; E732-K774 PolarHBondContact OE1-N 2.98Å; E732-T775 VanDerWaalsContact OE2-CB 3.29Å; E732-T775 WeakPolarHBondContact OE2-CB 3.42Å; E732-T775 WeakPolarHBondContact OE2-CG2 3.38Å; E732-T775 PolarHBondContact OE2-N 3.32Å; E732-T775 PolarHBondContact OE2-OG1 3.42Å; E732-L778 HydrophobicContact CB-CB 4.48Å; E732-L778 HydrophobicContact CB-CD2 4.01Å; E732-L778 HydrophobicContact CG-CD2 3.76Å |
| 733 | D | 92.8 | Very high | 94.1 | Very high | 94 Ų | 94 | 29 Ų | 29 | 50% | 0.503 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -62.3 | -53 | 178.6 | 179.9 | 40.5 | 0 | 0 | 0 | 112.8 | T691 G731 E735 C736 H737 | T691-D733 WeakPolarHBondContact CG2-OD2 3.48Å; G731-D733 VanDerWaalsContact C-N 3.28Å; G731-D733 PolarHBondContact O-N 3.4Å; D733-E735 VanDerWaalsContact C-N 3.26Å; D733-E735 PolarHBondContact O-N 3.32Å; D733-C736 WeakPolarHBondContact O-CB 3.4Å; D733-C736 PolarHBondContact O-N 2.87Å; D733-C736 VanDerWaalsContact O-N 3.13Å; D733-H737 PolarHBondContact O-N 3.08Å; D733-H737 PolarHBondContact O-ND1 3.25Å; D733-H737 IonicContact OD1-CE1 2.94Å; D733-H737 PolarHBondContact OD1-CE1 3.33Å; D733-H737 IonicContact OD1-ND1 3.83Å; D733-H737 PolarHBondContact OD1-ND1 3.18Å |
| 734 | A | 94.7 | Very high | 94 | Very high | 8 Ų | 8 | 25 Ų | 25 | 7% | 0.066 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.9 | -36 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | F690 T691 V725 A730 H737 A738 | F690-A734 HydrophobicContact CD1-CB 4.37Å; T691-A734 HydrophobicContact CG2-CB 4.22Å; V725-A734 VanDerWaalsContact CG1-C 3.49Å; V725-A734 HydrophobicContact CG1-CB 3.93Å; V725-A734 VanDerWaalsContact CG1-O 3.31Å; V725-A734 WeakPolarHBondContact CG1-O 3.39Å; A730-A734 HydrophobicContact CB-CB 3.72Å; A734-H737 PolarHBondContact O-N 3.15Å; A734-A738 WeakPolarHBondContact O-CB 3.34Å; A734-A738 PolarHBondContact O-N 2.88Å |
| 735 | E | 96.5 | Very high | 94.1 | Very high | 5 Ų | 5 | 21.3 Ų | 21.3 | 2% | 0.023 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.5 | -38 | 175.4 | -68.2 | 173.5 | 147.7 | 0 | 0 | 112.3 | V725 L726 G731 E732 D733 A738 A739 R768 R771 L778 | V725-E735 HydrophobicContact CG1-CG 4.13Å; L726-E735 HydrophobicContact CD2-CB 4.24Å; L726-E735 WeakPolarHBondContact CD2-O 3.35Å; G731-E735 VanDerWaalsContact O-CG 3.25Å; G731-E735 WeakPolarHBondContact O-CG 3.25Å; G731-E735 PolarHBondContact O-N 3.18Å; E732-E735 CarbonylContact O-C 3.59Å; E732-E735 WeakPolarHBondContact O-CB 3.44Å; E732-E735 PolarHBondContact O-N 3Å; D733-E735 VanDerWaalsContact C-N 3.26Å; D733-E735 PolarHBondContact O-N 3.32Å; E735-A738 PolarHBondContact O-N 3.45Å; E735-A739 PolarHBondContact O-N 2.96Å; E735-R768 IonicContact OE1-CZ 2.79Å; E735-R768 IonicContact OE1-NE 2.91Å; E735-R768 PolarHBondContact OE1-NE 3.07Å; E735-R768 IonicContact OE1-NH2 2.82Å; E735-R768 IonicContact OE2-CZ 3.34Å; E735-R768 IonicContact OE2-NE 3.39Å; E735-R768 PolarHBondContact OE2-NE 2.9Å; E735-R768 IonicContact OE2-NH2 3.84Å; E735-R768 PolarHBondContact OE2-NH2 3.08Å; E735-R771 IonicContact OE1-NH2 3.15Å; E735-R771 PolarHBondContact OE1-NH2 3.22Å; E735-L778 HydrophobicContact CB-CD1 3.65Å; E735-L778 WeakPolarHBondContact OE2-CD2 3.36Å |
| 736 | C | 95.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.007 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.8 | -48.4 | 171.5 | -67.7 | 0 | 0 | 0 | 0 | 111.1 | E732 D733 A738 A739 K740 L778 M781 L942 | E732-C736 PolarHBondContact O-N 2.96Å; E732-C736 PolarHBondContact O-SG 3.44Å; D733-C736 WeakPolarHBondContact O-CB 3.4Å; D733-C736 PolarHBondContact O-N 2.87Å; D733-C736 VanDerWaalsContact O-N 3.13Å; C736-A738 VanDerWaalsContact C-N 3.3Å; C736-A738 PolarHBondContact O-N 3.4Å; C736-A739 PolarHBondContact O-N 3.32Å; C736-K740 WeakPolarHBondContact O-CB 3.42Å; C736-K740 PolarHBondContact O-N 3.09Å; C736-L778 WeakPolarHBondContact SG-CA 3.32Å; C736-M781 HydrophobicContact CB-CG 4.17Å; C736-L942 HydrophobicContact CB-CD1 3.76Å |
| 737 | H | 96.7 | Very high | 94.1 | Very high | 21 Ų | 21 | 21.4 Ų | 21.4 | 10% | 0.097 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.7 | -41.1 | 176.3 | -74.2 | 74.5 | 0 | 0 | 0 | 112 | F690 M694 D733 A734 K740 L741 Y945 | F690-H737 HydrophobicContact CD1-CB 4.32Å; F690-H737 HydrophobicContact CE1-CB 3.98Å; M694-H737 HydrophobicContact CG-CB 4.33Å; D733-H737 PolarHBondContact O-N 3.08Å; D733-H737 PolarHBondContact O-ND1 3.25Å; D733-H737 IonicContact OD1-CE1 2.94Å; D733-H737 PolarHBondContact OD1-CE1 3.33Å; D733-H737 IonicContact OD1-ND1 3.83Å; D733-H737 PolarHBondContact OD1-ND1 3.18Å; A734-H737 PolarHBondContact O-N 3.15Å; H737-K740 PolarHBondContact O-N 3.34Å; H737-L741 WeakPolarHBondContact O-CB 3.5Å; H737-L741 PolarHBondContact O-N 2.96Å; H737-Y945 AromaticContact CD2-CE2 3.7Å; H737-Y945 AromaticContact CD2-CZ 3.92Å; H737-Y945 PolarHBondContact CD2-OH 3.37Å; H737-Y945 AromaticContact NE2-CE2 3.8Å |
| 738 | A | 97.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.2 | -42 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F690 C722 V725 L726 A734 E735 C736 L741 L742 | F690-A738 HydrophobicContact CE1-CB 3.74Å; F690-A738 HydrophobicContact CZ-CB 3.95Å; C722-A738 HydrophobicContact CB-CB 4.17Å; V725-A738 HydrophobicContact CB-CB 3.97Å; V725-A738 HydrophobicContact CG1-CB 3.82Å; L726-A738 HydrophobicContact CD1-CB 4.37Å; L726-A738 HydrophobicContact CD2-CB 4.32Å; L726-A738 HydrophobicContact CG-CB 3.91Å; A734-A738 WeakPolarHBondContact O-CB 3.34Å; A734-A738 PolarHBondContact O-N 2.88Å; E735-A738 PolarHBondContact O-N 3.45Å; C736-A738 VanDerWaalsContact C-N 3.3Å; C736-A738 PolarHBondContact O-N 3.4Å; A738-L741 PolarHBondContact O-N 2.99Å; A738-L742 WeakPolarHBondContact O-CG 3.48Å; A738-L742 PolarHBondContact O-N 2.61Å; A738-L742 VanDerWaalsContact O-N 3.16Å |
| 739 | A | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.6 | -44.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L726 E735 C736 L741 L742 E743 M781 V785 | L726-A739 HydrophobicContact CD2-CB 4.44Å; E735-A739 PolarHBondContact O-N 2.96Å; C736-A739 PolarHBondContact O-N 3.32Å; A739-L741 VanDerWaalsContact C-N 3.35Å; A739-L741 PolarHBondContact O-N 3.22Å; A739-L742 PolarHBondContact O-N 2.96Å; A739-E743 PolarHBondContact O-N 3.42Å; A739-M781 HydrophobicContact CB-CB 3.88Å; A739-V785 HydrophobicContact CB-CG2 4.06Å; A739-V785 WeakPolarHBondContact O-CG2 3.11Å |
| 740 | K | 97.1 | Very high | 95 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 0% | 0.004 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58.2 | -44.7 | 175.8 | -175.4 | 60.4 | 178.3 | 178.6 | 0 | 111.8 | M694 C736 H737 L742 E743 V744 M781 H832 Y945 | M694-K740 HydrophobicContact CE-CG 4.44Å; C736-K740 WeakPolarHBondContact O-CB 3.42Å; C736-K740 PolarHBondContact O-N 3.09Å; H737-K740 PolarHBondContact O-N 3.34Å; K740-L742 PolarHBondContact O-N 2.94Å; K740-E743 WeakPolarHBondContact CD-OE2 3.42Å; K740-E743 IonicContact NZ-OE2 3.02Å; K740-E743 PolarHBondContact NZ-OE2 2.71Å; K740-E743 WeakPolarHBondContact O-CB 3.46Å; K740-E743 PolarHBondContact O-N 2.93Å; K740-V744 HydrophobicContact CD-CG2 4.47Å; K740-V744 HydrophobicContact CG-CG2 4.38Å; K740-V744 WeakPolarHBondContact O-CG2 3.31Å; K740-V744 PolarHBondContact O-N 3.07Å; K740-M781 HydrophobicContact CD-SD 4.41Å; K740-H832 PolarHBondContact NZ-CD2 2.88Å; K740-H832 PolarHBondContact NZ-NE2 3.07Å; K740-Y945 HydrophobicContact CG-CD2 4.32Å |
| 741 | L | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.7 | -41.4 | 177.6 | -169 | 51.5 | 0 | 0 | 0 | 112.6 | F690 M694 L697 V701 I718 H737 A738 A739 E743 V744 I745 | F690-L741 HydrophobicContact CZ-CD2 4.47Å; M694-L741 HydrophobicContact CE-CB 3.65Å; M694-L741 HydrophobicContact CE-CD1 3.8Å; M694-L741 HydrophobicContact CE-CG 4.18Å; M694-L741 HydrophobicContact SD-CB 3.62Å; M694-L741 HydrophobicContact SD-CD1 3.88Å; M694-L741 HydrophobicContact SD-CD2 3.72Å; M694-L741 HydrophobicContact SD-CG 3.92Å; L697-L741 HydrophobicContact CB-CD1 4.48Å; L697-L741 HydrophobicContact CB-CD2 3.73Å; L697-L741 HydrophobicContact CD1-CD2 3.9Å; L697-L741 HydrophobicContact CG-CD2 4.47Å; V701-L741 HydrophobicContact CG2-CD1 4.2Å; I718-L741 HydrophobicContact CG2-CD2 3.6Å; I718-L741 HydrophobicContact CG2-CG 4.11Å; H737-L741 WeakPolarHBondContact O-CB 3.5Å; H737-L741 PolarHBondContact O-N 2.96Å; A738-L741 PolarHBondContact O-N 2.99Å; A739-L741 VanDerWaalsContact C-N 3.35Å; A739-L741 PolarHBondContact O-N 3.22Å; L741-E743 VanDerWaalsContact C-N 3.32Å; L741-E743 PolarHBondContact O-N 3.19Å; L741-V744 PolarHBondContact O-N 2.92Å; L741-I745 HydrophobicContact CG-CD1 4.28Å; L741-I745 WeakPolarHBondContact O-CD1 3.33Å; L741-I745 VanDerWaalsContact O-CG1 3.22Å; L741-I745 WeakPolarHBondContact O-CG1 3.42Å; L741-I745 PolarHBondContact O-N 3.37Å |
| 742 | L | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63 | -40.7 | 175.3 | -67 | -179.3 | 0 | 0 | 0 | 111.5 | Y719 C722 L726 A738 A739 K740 I745 I746 F761 V785 | Y719-L742 HydrophobicContact CD2-CD2 4.12Å; C722-L742 HydrophobicContact CB-CD1 4.26Å; C722-L742 HydrophobicContact CB-CD2 3.84Å; C722-L742 HydrophobicContact CB-CG 3.95Å; L726-L742 HydrophobicContact CD1-CD1 3.69Å; A738-L742 WeakPolarHBondContact O-CG 3.48Å; A738-L742 PolarHBondContact O-N 2.61Å; A738-L742 VanDerWaalsContact O-N 3.16Å; A739-L742 PolarHBondContact O-N 2.96Å; K740-L742 PolarHBondContact O-N 2.94Å; L742-I745 PolarHBondContact O-N 3.3Å; L742-I746 VanDerWaalsContact O-CG1 3.24Å; L742-I746 WeakPolarHBondContact O-CG1 3.42Å; L742-I746 PolarHBondContact O-N 2.95Å; L742-I746 VanDerWaalsContact O-N 3.11Å; L742-F761 HydrophobicContact CD1-CB 4.35Å; L742-F761 HydrophobicContact CD2-CB 4.42Å; L742-F761 HydrophobicContact CD2-CD1 3.82Å; L742-F761 HydrophobicContact CD2-CD2 4.25Å; L742-F761 HydrophobicContact CD2-CE1 4.08Å; L742-F761 HydrophobicContact CD2-CE2 4.48Å; L742-F761 HydrophobicContact CD2-CG 3.92Å; L742-F761 HydrophobicContact CD2-CZ 4.4Å; L742-V785 HydrophobicContact CB-CG1 4.2Å; L742-V785 HydrophobicContact CB-CG2 4.1Å |
| 743 | E | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.8 | -51.6 | 173.8 | -170.4 | -154.7 | -162.3 | 0 | 0 | 111.6 | A739 K740 L741 I745 I746 L747 Q784 V785 A788 H832 M836 | A739-E743 PolarHBondContact O-N 3.42Å; K740-E743 WeakPolarHBondContact CD-OE2 3.42Å; K740-E743 IonicContact NZ-OE2 3.02Å; K740-E743 PolarHBondContact NZ-OE2 2.71Å; K740-E743 WeakPolarHBondContact O-CB 3.46Å; K740-E743 PolarHBondContact O-N 2.93Å; L741-E743 VanDerWaalsContact C-N 3.32Å; L741-E743 PolarHBondContact O-N 3.19Å; E743-I745 VanDerWaalsContact C-N 3.28Å; E743-I745 PolarHBondContact O-N 2.83Å; E743-I746 WeakPolarHBondContact O-CB 3.23Å; E743-I746 PolarHBondContact O-N 3.09Å; E743-L747 HydrophobicContact CG-CD1 4.06Å; E743-L747 WeakPolarHBondContact O-CG 3.33Å; E743-L747 PolarHBondContact O-N 3.48Å; E743-Q784 HydrophobicContact CG-CB 4.47Å; E743-V785 HydrophobicContact CB-CG2 4.4Å; E743-A788 HydrophobicContact CG-CB 3.71Å; E743-H832 IonicContact OE1-NE2 3.42Å; E743-H832 PolarHBondContact OE1-NE2 3.03Å; E743-H832 IonicContact OE2-NE2 3.54Å; E743-H832 PolarHBondContact OE2-NE2 3.29Å; E743-M836 WeakPolarHBondContact OE1-CG 3.29Å |
| 744 | V | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -53.2 | -46.8 | 177.8 | 172.5 | 0 | 0 | 0 | 0 | 110.3 | V701 T702 K740 L741 I746 L747 Q748 T947 | V701-V744 HydrophobicContact CG1-CG1 4Å; T702-V744 HydrophobicContact CG2-CG1 3.8Å; K740-V744 HydrophobicContact CD-CG2 4.47Å; K740-V744 HydrophobicContact CG-CG2 4.38Å; K740-V744 WeakPolarHBondContact O-CG2 3.31Å; K740-V744 PolarHBondContact O-N 3.07Å; L741-V744 PolarHBondContact O-N 2.92Å; V744-I746 PolarHBondContact O-N 2.9Å; V744-L747 PolarHBondContact O-N 3.33Å; V744-Q748 WeakPolarHBondContact O-CB 3.25Å; V744-Q748 PolarHBondContact O-N 3.47Å; V744-T947 HydrophobicContact CB-CG2 4.42Å; V744-T947 HydrophobicContact CG2-CG2 3.84Å |
| 745 | I | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.4 | -45.3 | 178 | -66.7 | 163.2 | 0 | 0 | 0 | 111.4 | V701 L715 I718 L741 L742 E743 L747 C749 I754 F761 | V701-I745 HydrophobicContact CB-CG1 4.42Å; V701-I745 HydrophobicContact CG1-CB 4.43Å; V701-I745 HydrophobicContact CG1-CG1 3.8Å; V701-I745 HydrophobicContact CG2-CD1 4.28Å; V701-I745 HydrophobicContact CG2-CG1 3.68Å; L715-I745 HydrophobicContact CD1-CD1 4.24Å; L715-I745 HydrophobicContact CD1-CG2 3.81Å; I718-I745 HydrophobicContact CG2-CD1 3.84Å; L741-I745 HydrophobicContact CG-CD1 4.28Å; L741-I745 WeakPolarHBondContact O-CD1 3.33Å; L741-I745 VanDerWaalsContact O-CG1 3.22Å; L741-I745 WeakPolarHBondContact O-CG1 3.42Å; L741-I745 PolarHBondContact O-N 3.37Å; L742-I745 PolarHBondContact O-N 3.3Å; E743-I745 VanDerWaalsContact C-N 3.28Å; E743-I745 PolarHBondContact O-N 2.83Å; I745-L747 VanDerWaalsContact C-N 3.32Å; I745-L747 PolarHBondContact O-N 3.49Å; I745-C749 WeakPolarHBondContact O-CB 3.32Å; I745-C749 PolarHBondContact O-N 3.43Å; I745-C749 PolarHBondContact O-SG 3.28Å; I745-I754 HydrophobicContact CG2-CD1 4.33Å; I745-F761 HydrophobicContact CB-CE2 4.24Å; I745-F761 HydrophobicContact CG2-CE2 3.65Å; I745-F761 HydrophobicContact CG2-CZ 4.12Å |
| 746 | I | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.2 | -45.3 | 179.9 | -67.5 | 165.7 | 0 | 0 | 0 | 110.5 | L742 E743 V744 K750 I758 F761 V785 A788 A789 Y792 | L742-I746 VanDerWaalsContact O-CG1 3.24Å; L742-I746 WeakPolarHBondContact O-CG1 3.42Å; L742-I746 PolarHBondContact O-N 2.95Å; L742-I746 VanDerWaalsContact O-N 3.11Å; E743-I746 WeakPolarHBondContact O-CB 3.23Å; E743-I746 PolarHBondContact O-N 3.09Å; V744-I746 PolarHBondContact O-N 2.9Å; I746-K750 PolarHBondContact O-N 3.36Å; I746-I758 HydrophobicContact CB-CD1 4.5Å; I746-I758 HydrophobicContact CG1-CD1 3.85Å; I746-I758 HydrophobicContact CG2-CD1 4.19Å; I746-F761 HydrophobicContact CD1-CB 4.37Å; I746-F761 HydrophobicContact CD1-CD2 4.1Å; I746-F761 HydrophobicContact CG1-CD2 3.77Å; I746-F761 HydrophobicContact CG1-CE2 4.38Å; I746-V785 HydrophobicContact CD1-CG1 3.85Å; I746-V785 WeakPolarHBondContact CD1-O 3.3Å; I746-A788 HydrophobicContact CB-CB 4.19Å; I746-A788 HydrophobicContact CD1-CB 4.41Å; I746-A788 HydrophobicContact CG2-CB 3.91Å; I746-A788 WeakPolarHBondContact CG2-O 3.47Å; I746-A789 HydrophobicContact CD1-CB 4.38Å; I746-Y792 HydrophobicContact CG2-CD2 4.11Å; I746-Y792 HydrophobicContact CG2-CG 4.12Å; I746-Y792 WeakPolarHBondContact O-CD2 3.36Å |
| 747 | L | 95.4 | Very high | 95 | Very high | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.016 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -69.3 | -52 | -178.5 | -65.4 | 175.6 | 0 | 0 | 0 | 111.2 | E743 V744 I745 C749 K750 A788 Y791 M836 T947 I948 I949 | E743-L747 HydrophobicContact CG-CD1 4.06Å; E743-L747 WeakPolarHBondContact O-CG 3.33Å; E743-L747 PolarHBondContact O-N 3.48Å; V744-L747 PolarHBondContact O-N 3.33Å; I745-L747 VanDerWaalsContact C-N 3.32Å; I745-L747 PolarHBondContact O-N 3.49Å; L747-C749 PolarHBondContact O-N 3.41Å; L747-K750 WeakPolarHBondContact O-CB 3.46Å; L747-K750 PolarHBondContact O-N 2.95Å; L747-K750 VanDerWaalsContact O-N 3.17Å; L747-A788 HydrophobicContact CD2-CB 4.06Å; L747-A788 HydrophobicContact CG-CB 4.16Å; L747-Y791 HydrophobicContact CD2-CD1 3.87Å; L747-Y791 HydrophobicContact CD2-CE1 4.37Å; L747-M836 HydrophobicContact CD1-CE 4.09Å; L747-M836 HydrophobicContact CD1-SD 3.8Å; L747-M836 HydrophobicContact CD2-CE 3.83Å; L747-M836 HydrophobicContact CD2-SD 3.92Å; L747-M836 HydrophobicContact CG-CE 4.43Å; L747-T947 HydrophobicContact CD1-CG2 4.09Å; L747-I948 WeakPolarHBondContact O-CD1 3.49Å; L747-I949 HydrophobicContact CD1-CD1 4.4Å; L747-I949 HydrophobicContact CD1-CG1 4.3Å |
| 748 | Q | 95 | Very high | 95 | Very high | 32 Ų | 32 | 27 Ų | 27 | 15% | 0.15 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59 | -36.2 | -179.3 | -168.8 | 67.1 | 11.3 | 0 | 0 | 112.5 | V701 T702 T705 V744 | V701-Q748 HydrophobicContact CG1-CB 4.01Å; V701-Q748 HydrophobicContact CG1-CG 4.08Å; V701-Q748 WeakPolarHBondContact O-CG 3.48Å; T702-Q748 PolarHBondContact O-NE2 3.31Å; T705-Q748 HydrophobicContact CG2-CG 3.94Å; T705-Q748 WeakPolarHBondContact OG1-CG 3.46Å; T705-Q748 PolarHBondContact OG1-NE2 2.91Å; T705-Q748 VanDerWaalsContact OG1-NE2 3.15Å; V744-Q748 WeakPolarHBondContact O-CB 3.25Å; V744-Q748 PolarHBondContact O-N 3.47Å |
| 749 | C | 94.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 15.4 | -176.8 | -61.5 | 0 | 0 | 0 | 0 | 113.5 | I745 L747 G751 R752 I754 | I745-C749 WeakPolarHBondContact O-CB 3.32Å; I745-C749 PolarHBondContact O-N 3.43Å; I745-C749 PolarHBondContact O-SG 3.28Å; L747-C749 PolarHBondContact O-N 3.41Å; C749-G751 PolarHBondContact O-N 2.85Å; C749-G751 VanDerWaalsContact O-N 3.15Å; C749-R752 HydrophobicContact CB-CB 4.4Å; C749-R752 VanDerWaalsContact O-CB 3.29Å; C749-R752 WeakPolarHBondContact O-CB 3.29Å; C749-R752 PolarHBondContact O-N 3.09Å; C749-I754 HydrophobicContact CB-CD1 3.53Å; C749-I754 HydrophobicContact CB-CG1 3.85Å; C749-I754 HydrophobicContact CB-CG2 4.02Å |
| 750 | K | 92.1 | Very high | 94.8 | Very high | 80 Ų | 80 | 32.3 Ų | 32.3 | 35% | 0.348 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 119.1 | 179.9 | -172.7 | 170.8 | 174.8 | 173.2 | 0 | 112.3 | I746 L747 R752 Y791 Y792 | I746-K750 PolarHBondContact O-N 3.36Å; L747-K750 WeakPolarHBondContact O-CB 3.46Å; L747-K750 PolarHBondContact O-N 2.95Å; L747-K750 VanDerWaalsContact O-N 3.17Å; K750-R752 VanDerWaalsContact C-N 3.29Å; K750-R752 PolarHBondContact O-N 3.28Å; K750-Y791 HydrophobicContact CD-CD1 4.2Å; K750-Y791 HydrophobicContact CD-CE1 3.94Å; K750-Y791 VanDerWaalsContact CE-O 3.3Å; K750-Y791 WeakPolarHBondContact CE-O 3.23Å; K750-Y791 PolarHBondContact NZ-O 2.94Å; K750-Y792 VanDerWaalsContact CA-CE2 3.5Å; K750-Y792 HydrophobicContact CB-CD2 4.01Å; K750-Y792 HydrophobicContact CB-CE2 4.41Å; K750-Y792 HydrophobicContact CG-CD2 4.02Å |
| 751 | G | 88 | Confident | 94.8 | Very high | 74 Ų | 74 | 32.3 Ų | 32.3 | 76% | 0.763 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | 10.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | C749 | C749-G751 PolarHBondContact O-N 2.85Å; C749-G751 VanDerWaalsContact O-N 3.15Å |
| 752 | R | 92.2 | Very high | 94.7 | Very high | 105 Ų | 105 | 32.3 Ų | 32.3 | 40% | 0.396 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -100.8 | 9.5 | -177.5 | -53.4 | -159.9 | 64.7 | -173.9 | -7.6 | 114.9 | D706 L709 C749 K750 | D706-R752 IonicContact OD1-CZ 3.52Å; D706-R752 IonicContact OD1-NH1 2.7Å; D706-R752 PolarHBondContact OD1-NH1 2.92Å; D706-R752 IonicContact OD1-NH2 3.44Å; D706-R752 PolarHBondContact OD1-NH2 3.39Å; L709-R752 HydrophobicContact CD1-CB 3.67Å; L709-R752 HydrophobicContact CD1-CG 4.48Å; C749-R752 HydrophobicContact CB-CB 4.4Å; C749-R752 VanDerWaalsContact O-CB 3.29Å; C749-R752 WeakPolarHBondContact O-CB 3.29Å; C749-R752 PolarHBondContact O-N 3.09Å; K750-R752 VanDerWaalsContact C-N 3.29Å; K750-R752 PolarHBondContact O-N 3.28Å |
| 753 | G | 88.1 | Confident | 94.6 | Very high | 45 Ų | 45 | 36.1 Ų | 36.1 | 46% | 0.464 | 21% | 0.205 | S | C | . | . | S | Bend | trans | 89.1 | 31.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q756 | G753-Q756 PolarHBondContact O-NE2 2.81Å; G753-Q756 PolarHBondContact O-OE1 3.28Å |
| 754 | I | 93.4 | Very high | 94.4 | Very high | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | trans | -96.8 | 19.1 | 175.9 | 62.9 | 155.1 | 0 | 0 | 0 | 113.3 | L709 L715 I745 C749 Q756 C757 I758 Y792 | L709-I754 HydrophobicContact CD2-CG2 3.57Å; L715-I754 HydrophobicContact CD2-CG2 4.15Å; I745-I754 HydrophobicContact CG2-CD1 4.33Å; C749-I754 HydrophobicContact CB-CD1 3.53Å; C749-I754 HydrophobicContact CB-CG1 3.85Å; C749-I754 HydrophobicContact CB-CG2 4.02Å; I754-Q756 PolarHBondContact O-N 3.04Å; I754-Q756 VanDerWaalsContact O-N 3.09Å; I754-C757 HydrophobicContact CB-CB 4.43Å; I754-C757 WeakPolarHBondContact O-CB 3.45Å; I754-C757 PolarHBondContact O-N 3.4Å; I754-I758 HydrophobicContact CD1-CD1 3.8Å; I754-I758 HydrophobicContact CG1-CD1 4.19Å; I754-I758 PolarHBondContact O-N 3.32Å; I754-Y792 HydrophobicContact CD1-CE2 4.27Å; I754-Y792 HydrophobicContact CG1-CE2 3.87Å | ||
| 755 | D | 94.5 | Very high | 94.4 | Very high | 72 Ų | 72 | 36.2 Ų | 36.2 | 39% | 0.385 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -35.8 | -174.8 | -70 | 8.3 | 0 | 0 | 0 | 113.1 | C757 P759 Y792 L796 | D755-C757 VanDerWaalsContact C-N 3.26Å; D755-C757 PolarHBondContact O-N 2.93Å; D755-P759 WeakPolarHBondContact O-CD 3.18Å; D755-Y792 VanDerWaalsContact OD1-CE1 3.23Å; D755-Y792 WeakPolarHBondContact OD1-CE1 3.33Å; D755-Y792 VanDerWaalsContact OD1-CZ 3.32Å; D755-Y792 PolarHBondContact OD1-OH 3.24Å; D755-L796 HydrophobicContact CB-CD2 3.92Å |
| 756 | Q | 93.4 | Very high | 94.2 | Very high | 130 Ų | 130 | 36.4 Ų | 36.4 | 61% | 0.607 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -21.9 | 177.3 | 62.5 | -81 | 3.9 | 0 | 0 | 114.1 | G753 I754 | G753-Q756 PolarHBondContact O-NE2 2.81Å; G753-Q756 PolarHBondContact O-OE1 3.28Å; I754-Q756 PolarHBondContact O-N 3.04Å; I754-Q756 VanDerWaalsContact O-N 3.09Å |
| 757 | C | 94.6 | Very high | 93.9 | Very high | 21 Ų | 21 | 40.1 Ų | 40.1 | 14% | 0.142 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -30 | -179.5 | -58.5 | 0 | 0 | 0 | 0 | 111.8 | I754 D755 L760 F761 | I754-C757 HydrophobicContact CB-CB 4.43Å; I754-C757 WeakPolarHBondContact O-CB 3.45Å; I754-C757 PolarHBondContact O-N 3.4Å; D755-C757 VanDerWaalsContact C-N 3.26Å; D755-C757 PolarHBondContact O-N 2.93Å; C757-L760 WeakPolarHBondContact O-CA 3.49Å; C757-L760 VanDerWaalsContact O-CB 3.32Å; C757-L760 WeakPolarHBondContact O-CB 3.47Å; C757-L760 PolarHBondContact O-N 2.92Å; C757-F761 HydrophobicContact CB-CE1 3.98Å; C757-F761 HydrophobicContact CB-CE2 4.18Å; C757-F761 HydrophobicContact CB-CZ 3.77Å; C757-F761 WeakPolarHBondContact O-CD1 3.4Å; C757-F761 PolarHBondContact O-N 2.89Å; C757-F761 VanDerWaalsContact O-N 3.08Å |
| 758 | I | 95.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -53.6 | -46.6 | -177.1 | -55 | -58 | 0 | 0 | 0 | 112.9 | I746 I754 L760 F761 V762 A789 Y792 L796 | I746-I758 HydrophobicContact CB-CD1 4.5Å; I746-I758 HydrophobicContact CG1-CD1 3.85Å; I746-I758 HydrophobicContact CG2-CD1 4.19Å; I754-I758 HydrophobicContact CD1-CD1 3.8Å; I754-I758 HydrophobicContact CG1-CD1 4.19Å; I754-I758 PolarHBondContact O-N 3.32Å; I758-L760 PolarHBondContact O-N 2.6Å; I758-F761 PolarHBondContact O-N 3.21Å; I758-V762 HydrophobicContact CG2-CG2 4.24Å; I758-V762 WeakPolarHBondContact O-CG2 3.26Å; I758-V762 PolarHBondContact O-N 2.98Å; I758-V762 VanDerWaalsContact O-N 3.08Å; I758-A789 HydrophobicContact CG2-CB 3.69Å; I758-Y792 HydrophobicContact CD1-CD1 4.12Å; I758-Y792 HydrophobicContact CD1-CD2 4.46Å; I758-Y792 HydrophobicContact CD1-CE1 4.2Å; I758-Y792 HydrophobicContact CD1-CE2 4.47Å; I758-Y792 HydrophobicContact CD1-CG 4.31Å; I758-Y792 HydrophobicContact CG1-CD1 4.01Å; I758-Y792 HydrophobicContact CG1-CE1 3.87Å; I758-L796 HydrophobicContact CB-CD2 3.89Å; I758-L796 HydrophobicContact CG1-CD2 3.93Å; I758-L796 HydrophobicContact CG2-CD2 4.23Å |
| 759 | P | 96 | Very high | 93.6 | Very high | 40 Ų | 40 | 40.7 Ų | 40.7 | 26% | 0.26 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58.9 | -36.9 | 177.2 | -23.6 | 33.6 | 0 | 0 | 0 | 113.5 | D755 E763 T800 | D755-P759 WeakPolarHBondContact O-CD 3.18Å; P759-E763 VanDerWaalsContact O-CB 3.25Å; P759-E763 WeakPolarHBondContact O-CB 3.37Å; P759-E763 PolarHBondContact O-N 3.25Å; P759-T800 HydrophobicContact CB-CG2 3.93Å |
| 760 | L | 95.8 | Very high | 93.2 | Very high | 70 Ų | 70 | 44.2 Ų | 44.2 | 37% | 0.366 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -69.8 | -40.4 | -179 | -62.2 | 177.2 | 0 | 0 | 0 | 111.7 | Y719 C757 I758 A764 | Y719-L760 HydrophobicContact CE1-CB 4.29Å; Y719-L760 HydrophobicContact CE1-CD1 4.28Å; Y719-L760 HydrophobicContact CE2-CB 4.14Å; Y719-L760 WeakPolarHBondContact OH-CB 3.27Å; C757-L760 WeakPolarHBondContact O-CA 3.49Å; C757-L760 VanDerWaalsContact O-CB 3.32Å; C757-L760 WeakPolarHBondContact O-CB 3.47Å; C757-L760 PolarHBondContact O-N 2.92Å; I758-L760 PolarHBondContact O-N 2.6Å; L760-A764 PolarHBondContact O-N 3.36Å; L760-A764 VanDerWaalsContact O-N 3.09Å |
| 761 | F | 97.1 | Very high | 93 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.009 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.7 | -45.6 | 179.1 | -62.6 | -3.8 | 0 | 0 | 0 | 111 | L715 Y719 L742 I745 I746 C757 I758 A764 A765 V785 | L715-F761 HydrophobicContact CD1-CZ 4.24Å; Y719-F761 AromaticContact CD2-CD1 3.4Å; Y719-F761 HydrophobicContact CD2-CD1 3.4Å; Y719-F761 VanDerWaalsContact CD2-CD1 3.4Å; Y719-F761 AromaticContact CD2-CE1 3.41Å; Y719-F761 HydrophobicContact CD2-CE1 3.41Å; Y719-F761 VanDerWaalsContact CD2-CE1 3.41Å; Y719-F761 AromaticContact CE2-CD1 3.75Å; Y719-F761 HydrophobicContact CE2-CD1 3.75Å; Y719-F761 HydrophobicContact CE2-CE1 4.16Å; Y719-F761 HydrophobicContact CG-CD1 4.17Å; Y719-F761 AromaticContact CG-CE1 3.73Å; Y719-F761 HydrophobicContact CG-CE1 3.73Å; L742-F761 HydrophobicContact CD1-CB 4.35Å; L742-F761 HydrophobicContact CD2-CB 4.42Å; L742-F761 HydrophobicContact CD2-CD1 3.82Å; L742-F761 HydrophobicContact CD2-CD2 4.25Å; L742-F761 HydrophobicContact CD2-CE1 4.08Å; L742-F761 HydrophobicContact CD2-CE2 4.48Å; L742-F761 HydrophobicContact CD2-CG 3.92Å; L742-F761 HydrophobicContact CD2-CZ 4.4Å; I745-F761 HydrophobicContact CB-CE2 4.24Å; I745-F761 HydrophobicContact CG2-CE2 3.65Å; I745-F761 HydrophobicContact CG2-CZ 4.12Å; I746-F761 HydrophobicContact CD1-CB 4.37Å; I746-F761 HydrophobicContact CD1-CD2 4.1Å; I746-F761 HydrophobicContact CG1-CD2 3.77Å; I746-F761 HydrophobicContact CG1-CE2 4.38Å; C757-F761 HydrophobicContact CB-CE1 3.98Å; C757-F761 HydrophobicContact CB-CE2 4.18Å; C757-F761 HydrophobicContact CB-CZ 3.77Å; C757-F761 WeakPolarHBondContact O-CD1 3.4Å; C757-F761 PolarHBondContact O-N 2.89Å; C757-F761 VanDerWaalsContact O-N 3.08Å; I758-F761 PolarHBondContact O-N 3.21Å; F761-A764 PolarHBondContact O-N 2.98Å; F761-A765 PolarHBondContact O-N 3.03Å; F761-V785 HydrophobicContact CB-CG1 4.3Å |
| 762 | V | 96.3 | Very high | 93 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.1 | -41.8 | 177.9 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | I758 L766 A789 L797 T800 L801 L804 | I758-V762 HydrophobicContact CG2-CG2 4.24Å; I758-V762 WeakPolarHBondContact O-CG2 3.26Å; I758-V762 PolarHBondContact O-N 2.98Å; I758-V762 VanDerWaalsContact O-N 3.08Å; V762-L766 HydrophobicContact CG1-CD1 3.65Å; V762-L766 HydrophobicContact CG1-CG 4.18Å; V762-L766 WeakPolarHBondContact O-CB 3.45Å; V762-L766 WeakPolarHBondContact O-CG 3.44Å; V762-L766 PolarHBondContact O-N 3.23Å; V762-A789 HydrophobicContact CG2-CB 3.62Å; V762-L797 HydrophobicContact CG1-CD1 3.93Å; V762-L797 HydrophobicContact CG2-CD1 3.85Å; V762-T800 HydrophobicContact CB-CG2 4.35Å; V762-T800 HydrophobicContact CG1-CG2 4.25Å; V762-L801 HydrophobicContact CG1-CD2 3.97Å; V762-L804 HydrophobicContact CG1-CD1 4.26Å |
| 763 | E | 94.7 | Very high | 92.9 | Very high | 79 Ų | 79 | 45.3 Ų | 45.3 | 37% | 0.369 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.2 | -48.9 | 176.1 | -176.2 | 175.2 | -169.6 | 0 | 0 | 111.2 | P759 E767 L804 | P759-E763 VanDerWaalsContact O-CB 3.25Å; P759-E763 WeakPolarHBondContact O-CB 3.37Å; P759-E763 PolarHBondContact O-N 3.25Å; E763-E767 WeakPolarHBondContact O-CB 3.4Å; E763-E767 PolarHBondContact O-N 3.27Å; E763-L804 HydrophobicContact CB-CD1 4.37Å; E763-L804 HydrophobicContact CB-CD2 3.99Å; E763-L804 HydrophobicContact CG-CD2 3.78Å |
| 764 | A | 94.6 | Very high | 92.9 | Very high | 2 Ų | 2 | 51.3 Ų | 51.3 | 2% | 0.017 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.6 | -46.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y719 L726 L760 F761 R768 | Y719-A764 HydrophobicContact CE2-CB 4.44Å; L726-A764 HydrophobicContact CD1-CB 4.25Å; L760-A764 PolarHBondContact O-N 3.36Å; L760-A764 VanDerWaalsContact O-N 3.09Å; F761-A764 PolarHBondContact O-N 2.98Å; A764-R768 PolarHBondContact O-N 3.43Å |
| 765 | A | 95.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.3 | -43.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F761 R768 V785 | F761-A765 PolarHBondContact O-N 3.03Å; A765-R768 WeakPolarHBondContact O-CB 3.05Å; A765-R768 PolarHBondContact O-N 3.05Å; A765-V785 HydrophobicContact CB-CB 3.72Å; A765-V785 HydrophobicContact CB-CG1 3.83Å; A765-V785 HydrophobicContact CB-CG2 3.89Å |
| 766 | L | 94 | Very high | 92.3 | Very high | 5 Ų | 5 | 52.8 Ų | 52.8 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -78.5 | -28.8 | -179.1 | -62.4 | -176.8 | 0 | 0 | 0 | 112.7 | V762 R768 L769 A786 L801 F806 V813 F817 | V762-L766 HydrophobicContact CG1-CD1 3.65Å; V762-L766 HydrophobicContact CG1-CG 4.18Å; V762-L766 WeakPolarHBondContact O-CB 3.45Å; V762-L766 WeakPolarHBondContact O-CG 3.44Å; V762-L766 PolarHBondContact O-N 3.23Å; L766-R768 PolarHBondContact O-N 2.88Å; L766-L769 HydrophobicContact CD2-CD1 4Å; L766-L769 WeakPolarHBondContact O-CB 3.43Å; L766-L769 PolarHBondContact O-N 3.22Å; L766-A786 HydrophobicContact CD1-CB 4.33Å; L766-A786 HydrophobicContact CD2-CB 4.2Å; L766-A786 HydrophobicContact CG-CB 4.47Å; L766-L801 HydrophobicContact CD1-CD2 3.61Å; L766-F806 VanDerWaalsContact C-CZ 3.4Å; L766-F806 HydrophobicContact CB-CE2 4.14Å; L766-F806 HydrophobicContact CB-CZ 3.54Å; L766-F806 WeakPolarHBondContact O-CZ 3.34Å; L766-V813 HydrophobicContact CD1-CG1 3.96Å; L766-F817 HydrophobicContact CD2-CD2 4.32Å |
| 767 | E | 91.4 | Very high | 92.2 | Very high | 78 Ų | 78 | 49.9 Ų | 49.9 | 36% | 0.364 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.2 | -36.7 | 171 | -177.3 | 177.3 | -171.7 | 0 | 0 | 110.8 | E763 L769 T770 F806 | E763-E767 WeakPolarHBondContact O-CB 3.4Å; E763-E767 PolarHBondContact O-N 3.27Å; E767-L769 PolarHBondContact O-N 3.44Å; E767-T770 WeakPolarHBondContact O-CB 2.76Å; E767-T770 WeakPolarHBondContact O-CG2 3.38Å; E767-T770 PolarHBondContact O-N 3.34Å; E767-T770 PolarHBondContact O-OG1 3.44Å; E767-F806 HydrophobicContact CB-CE1 4.04Å |
| 768 | R | 92.4 | Very high | 92.1 | Very high | 14 Ų | 14 | 48.9 Ų | 48.9 | 5% | 0.053 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -55.7 | -37.6 | 175.6 | 175.4 | 59.9 | -168.8 | 84.1 | -3.5 | 112.5 | L726 E732 E735 A764 A765 L766 T770 R771 E772 L778 | L726-R768 HydrophobicContact CD2-CB 4.33Å; L726-R768 HydrophobicContact CD2-CG 4.3Å; L726-R768 WeakPolarHBondContact O-CD 3.42Å; E732-R768 IonicContact OE1-NH2 2.66Å; E735-R768 IonicContact OE1-CZ 2.79Å; E735-R768 IonicContact OE1-NE 2.91Å; E735-R768 PolarHBondContact OE1-NE 3.07Å; E735-R768 IonicContact OE1-NH2 2.82Å; E735-R768 IonicContact OE2-CZ 3.34Å; E735-R768 IonicContact OE2-NE 3.39Å; E735-R768 PolarHBondContact OE2-NE 2.9Å; E735-R768 IonicContact OE2-NH2 3.84Å; E735-R768 PolarHBondContact OE2-NH2 3.08Å; A764-R768 PolarHBondContact O-N 3.43Å; A765-R768 WeakPolarHBondContact O-CB 3.05Å; A765-R768 PolarHBondContact O-N 3.05Å; L766-R768 PolarHBondContact O-N 2.88Å; R768-T770 PolarHBondContact O-N 2.72Å; R768-R771 PolarHBondContact O-N 3.45Å; R768-E772 PolarHBondContact NH1-O 3.05Å; R768-E772 PolarHBondContact NH2-O 3.34Å; R768-L778 VanDerWaalsContact NH2-CD2 3.33Å |
| 769 | L | 90.4 | Very high | 92 | Very high | 33 Ų | 33 | 51.5 Ų | 51.5 | 17% | 0.173 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -8.4 | 178.9 | -61.2 | -179.1 | 0 | 0 | 0 | 114.2 | L766 E767 R771 V773 R779 C782 L783 | L766-L769 HydrophobicContact CD2-CD1 4Å; L766-L769 WeakPolarHBondContact O-CB 3.43Å; L766-L769 PolarHBondContact O-N 3.22Å; E767-L769 PolarHBondContact O-N 3.44Å; L769-R771 VanDerWaalsContact C-N 3.32Å; L769-V773 HydrophobicContact CD2-CG2 4.19Å; L769-R779 HydrophobicContact CD2-CB 4.42Å; L769-R779 HydrophobicContact CD2-CG 4.11Å; L769-C782 HydrophobicContact CD1-CB 3.92Å; L769-C782 HydrophobicContact CD2-CB 3.69Å; L769-C782 HydrophobicContact CG-CB 3.75Å; L769-L783 HydrophobicContact CD1-CD2 4.08Å; L769-L783 HydrophobicContact CD1-CG 4.3Å |
| 770 | T | 87.5 | Confident | 91.8 | Very high | 74 Ų | 74 | 49.7 Ų | 49.7 | 45% | 0.454 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -13.6 | 174 | 71 | 0 | 0 | 0 | 0 | 113.3 | E767 R768 F806 | E767-T770 WeakPolarHBondContact O-CB 2.76Å; E767-T770 WeakPolarHBondContact O-CG2 3.38Å; E767-T770 PolarHBondContact O-N 3.34Å; E767-T770 PolarHBondContact O-OG1 3.44Å; R768-T770 PolarHBondContact O-N 2.72Å; T770-F806 HydrophobicContact CG2-CB 3.94Å; T770-F806 HydrophobicContact CG2-CD1 3.64Å; T770-F806 HydrophobicContact CG2-CD2 3.83Å; T770-F806 HydrophobicContact CG2-CE1 4.12Å; T770-F806 HydrophobicContact CG2-CE2 4.26Å; T770-F806 HydrophobicContact CG2-CG 3.52Å; T770-F806 HydrophobicContact CG2-CZ 4.42Å |
| 771 | R | 88.1 | Confident | 91.8 | Very high | 89 Ų | 89 | 46.4 Ų | 46.4 | 34% | 0.336 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -94.2 | 171.3 | 174.4 | -56.6 | -172.7 | -70.8 | 155.9 | 6.4 | 109.6 | L726 T727 G728 E735 R768 L769 V773 | L726-R771 VanDerWaalsContact C-NH2 3.33Å; L726-R771 PolarHBondContact O-NH2 2.74Å; T727-R771 PolarHBondContact O-NH1 3.45Å; G728-R771 PolarHBondContact O-NH1 2.83Å; E735-R771 IonicContact OE1-NH2 3.15Å; E735-R771 PolarHBondContact OE1-NH2 3.22Å; R768-R771 PolarHBondContact O-N 3.45Å; L769-R771 VanDerWaalsContact C-N 3.32Å; R771-V773 PolarHBondContact O-N 3.39Å |
| 772 | E | 88.1 | Confident | 91.7 | Very high | 155 Ų | 155 | 46.3 Ų | 46.3 | 72% | 0.724 | 23% | 0.226 | S | C | * | . | trans | -58.6 | 137.9 | 176.2 | -172 | 176.1 | -168.9 | 0 | 0 | 110.8 | R768 | R768-E772 PolarHBondContact NH1-O 3.05Å; R768-E772 PolarHBondContact NH2-O 3.34Å | ||
| 773 | V | 88.9 | Confident | 91.7 | Very high | 38 Ų | 38 | 46.4 Ų | 46.4 | 23% | 0.23 | 23% | 0.226 | C | C | . | . | trans | -129.2 | 120.1 | 178 | 177.1 | 0 | 0 | 0 | 0 | 107 | L769 R771 T775 L778 R779 | L769-V773 HydrophobicContact CD2-CG2 4.19Å; R771-V773 PolarHBondContact O-N 3.39Å; V773-T775 WeakPolarHBondContact CG1-O 3.24Å; V773-L778 HydrophobicContact CG1-CB 4.33Å; V773-L778 HydrophobicContact CG1-CD2 4.34Å; V773-L778 HydrophobicContact CG1-CG 4.47Å; V773-R779 HydrophobicContact CG1-CB 4.13Å | ||
| 774 | K | 87.4 | Confident | 91.7 | Very high | 170 Ų | 170 | 42.7 Ų | 42.7 | 74% | 0.739 | 21% | 0.209 | S | C | * | . | trans | -93.7 | -38.2 | -176.4 | -59 | 176.3 | 179.6 | 176.8 | 0 | 111.3 | E732 | E732-K774 WeakPolarHBondContact OE1-CB 3.46Å; E732-K774 PolarHBondContact OE1-N 2.98Å | ||
| 775 | T | 88.1 | Confident | 91.8 | Very high | 54 Ų | 54 | 42.6 Ų | 42.6 | 33% | 0.331 | 21% | 0.208 | S | C | . | . | trans | -99.7 | 146.4 | -179.3 | 58.2 | 0 | 0 | 0 | 0 | 112.8 | E732 V773 E777 L778 | E732-T775 VanDerWaalsContact OE2-CB 3.29Å; E732-T775 WeakPolarHBondContact OE2-CB 3.42Å; E732-T775 WeakPolarHBondContact OE2-CG2 3.38Å; E732-T775 PolarHBondContact OE2-N 3.32Å; E732-T775 PolarHBondContact OE2-OG1 3.42Å; V773-T775 WeakPolarHBondContact CG1-O 3.24Å; T775-E777 VanDerWaalsContact C-N 3.3Å; T775-L778 WeakPolarHBondContact OG1-CB 3.43Å; T775-L778 PolarHBondContact OG1-N 2.86Å | ||
| 776 | S | 88.6 | Confident | 91.9 | Very high | 54 Ų | 54 | 42.6 Ų | 42.6 | 38% | 0.378 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -65.6 | -35.3 | 168.1 | 44 | 0 | 0 | 0 | 0 | 111.4 | L778 R779 T780 | S776-L778 PolarHBondContact O-N 3.1Å; S776-R779 WeakPolarHBondContact O-CA 3.41Å; S776-R779 VanDerWaalsContact O-CB 3.3Å; S776-R779 WeakPolarHBondContact O-CB 3.46Å; S776-R779 PolarHBondContact O-N 3.44Å; S776-R779 VanDerWaalsContact O-N 3.11Å; S776-T780 WeakPolarHBondContact O-CG2 3.49Å; S776-T780 PolarHBondContact O-N 3.17Å; S776-T780 PolarHBondContact O-OG1 3.21Å |
| 777 | E | 90.8 | Very high | 92 | Very high | 69 Ų | 69 | 42.3 Ų | 42.3 | 32% | 0.322 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -55.7 | -53.6 | -180 | -172 | 175.3 | -161.8 | 0 | 0 | 112.4 | T775 R779 T780 M781 | T775-E777 VanDerWaalsContact C-N 3.3Å; E777-R779 PolarHBondContact O-N 2.89Å; E777-T780 WeakPolarHBondContact CA-OG1 3.29Å; E777-T780 PolarHBondContact O-N 2.9Å; E777-T780 PolarHBondContact O-OG1 3.15Å; E777-M781 HydrophobicContact CG-CG 4.42Å; E777-M781 WeakPolarHBondContact O-CG 3.43Å; E777-M781 PolarHBondContact O-N 3.23Å |
| 778 | L | 92.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.7 | -39.1 | 177 | 176.1 | 60.6 | 0 | 0 | 0 | 112.2 | E732 E735 C736 R768 V773 T775 S776 C782 | E732-L778 HydrophobicContact CB-CB 4.48Å; E732-L778 HydrophobicContact CB-CD2 4.01Å; E732-L778 HydrophobicContact CG-CD2 3.76Å; E735-L778 HydrophobicContact CB-CD1 3.65Å; E735-L778 WeakPolarHBondContact OE2-CD2 3.36Å; C736-L778 WeakPolarHBondContact SG-CA 3.32Å; R768-L778 VanDerWaalsContact NH2-CD2 3.33Å; V773-L778 HydrophobicContact CG1-CB 4.33Å; V773-L778 HydrophobicContact CG1-CD2 4.34Å; V773-L778 HydrophobicContact CG1-CG 4.47Å; T775-L778 WeakPolarHBondContact OG1-CB 3.43Å; T775-L778 PolarHBondContact OG1-N 2.86Å; S776-L778 PolarHBondContact O-N 3.1Å; L778-C782 WeakPolarHBondContact O-CB 3.41Å; L778-C782 PolarHBondContact O-N 2.93Å; L778-C782 VanDerWaalsContact O-N 3.07Å; L778-C782 PolarHBondContact O-SG 2.94Å |
| 779 | R | 92.7 | Very high | 92.5 | Very high | 56 Ų | 56 | 38 Ų | 38 | 21% | 0.211 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.7 | -47.6 | 177.2 | -167.5 | 162.6 | 66.7 | -105.8 | 1.6 | 110.7 | L769 V773 S776 E777 C782 L783 D824 | L769-R779 HydrophobicContact CD2-CB 4.42Å; L769-R779 HydrophobicContact CD2-CG 4.11Å; V773-R779 HydrophobicContact CG1-CB 4.13Å; S776-R779 WeakPolarHBondContact O-CA 3.41Å; S776-R779 VanDerWaalsContact O-CB 3.3Å; S776-R779 WeakPolarHBondContact O-CB 3.46Å; S776-R779 PolarHBondContact O-N 3.44Å; S776-R779 VanDerWaalsContact O-N 3.11Å; E777-R779 PolarHBondContact O-N 2.89Å; R779-C782 PolarHBondContact O-N 3.02Å; R779-L783 HydrophobicContact CG-CD1 4.39Å; R779-L783 VanDerWaalsContact O-CG 3.27Å; R779-L783 WeakPolarHBondContact O-CG 3.42Å; R779-L783 PolarHBondContact O-N 3.08Å; R779-L783 VanDerWaalsContact O-N 3.08Å; R779-D824 VanDerWaalsContact CD-OD2 3.26Å; R779-D824 WeakPolarHBondContact CD-OD2 3.48Å; R779-D824 IonicContact CZ-OD1 3.77Å; R779-D824 IonicContact CZ-OD2 2.79Å; R779-D824 IonicContact NE-OD1 2.71Å; R779-D824 PolarHBondContact NE-OD1 2.86Å; R779-D824 IonicContact NE-OD2 2.75Å; R779-D824 PolarHBondContact NE-OD2 2.86Å; R779-D824 IonicContact NH2-OD1 3.06Å; R779-D824 PolarHBondContact NH2-OD1 3.46Å |
| 780 | T | 92.7 | Very high | 92.7 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.4 | -44.7 | 179.3 | 58.9 | 0 | 0 | 0 | 0 | 112.3 | S776 E777 C782 L783 Q784 C827 F828 | S776-T780 WeakPolarHBondContact O-CG2 3.49Å; S776-T780 PolarHBondContact O-N 3.17Å; S776-T780 PolarHBondContact O-OG1 3.21Å; E777-T780 WeakPolarHBondContact CA-OG1 3.29Å; E777-T780 PolarHBondContact O-N 2.9Å; E777-T780 PolarHBondContact O-OG1 3.15Å; T780-C782 PolarHBondContact O-N 3.13Å; T780-L783 CarbonylContact O-C 3.59Å; T780-L783 WeakPolarHBondContact O-CB 3.46Å; T780-L783 PolarHBondContact O-N 3.08Å; T780-L783 VanDerWaalsContact O-N 3.12Å; T780-Q784 WeakPolarHBondContact O-CG 3.38Å; T780-Q784 PolarHBondContact O-N 3.4Å; T780-C827 HydrophobicContact CG2-CB 3.66Å; T780-C827 WeakPolarHBondContact CG2-O 3.39Å; T780-F828 HydrophobicContact CG2-CD2 4.21Å; T780-F828 HydrophobicContact CG2-CE2 4.16Å; T780-F828 HydrophobicContact CG2-CZ 4.48Å |
| 781 | M | 94.6 | Very high | 93 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.8 | -43.6 | 177.4 | -68.1 | -61.4 | 111.4 | 0 | 0 | 112.2 | C736 A739 K740 E777 L783 Q784 V785 D833 L942 | C736-M781 HydrophobicContact CB-CG 4.17Å; A739-M781 HydrophobicContact CB-CB 3.88Å; K740-M781 HydrophobicContact CD-SD 4.41Å; E777-M781 HydrophobicContact CG-CG 4.42Å; E777-M781 WeakPolarHBondContact O-CG 3.43Å; E777-M781 PolarHBondContact O-N 3.23Å; M781-L783 VanDerWaalsContact C-N 3.32Å; M781-L783 PolarHBondContact O-N 3.31Å; M781-Q784 VanDerWaalsContact CE-CD 3.49Å; M781-Q784 WeakPolarHBondContact O-CB 3.37Å; M781-Q784 PolarHBondContact O-N 3.22Å; M781-Q784 PolarHBondContact SD-OE1 2.94Å; M781-V785 PolarHBondContact O-N 2.81Å; M781-D833 WeakPolarHBondContact CE-OD1 3.39Å; M781-L942 HydrophobicContact CG-CD1 3.91Å; M781-L942 HydrophobicContact SD-CD1 3.72Å |
| 782 | C | 95.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.9 | -37.8 | 175.5 | -69.3 | 0 | 0 | 0 | 0 | 112.4 | L769 L778 R779 T780 | L769-C782 HydrophobicContact CD1-CB 3.92Å; L769-C782 HydrophobicContact CD2-CB 3.69Å; L769-C782 HydrophobicContact CG-CB 3.75Å; L778-C782 WeakPolarHBondContact O-CB 3.41Å; L778-C782 PolarHBondContact O-N 2.93Å; L778-C782 VanDerWaalsContact O-N 3.07Å; L778-C782 PolarHBondContact O-SG 2.94Å; R779-C782 PolarHBondContact O-N 3.02Å; T780-C782 PolarHBondContact O-N 3.13Å |
| 783 | L | 95.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67 | -38.6 | 174.1 | -69.4 | 172.3 | 0 | 0 | 0 | 111.1 | L769 R779 T780 M781 V785 A786 I787 F817 Q820 D824 F828 | L769-L783 HydrophobicContact CD1-CD2 4.08Å; L769-L783 HydrophobicContact CD1-CG 4.3Å; R779-L783 HydrophobicContact CG-CD1 4.39Å; R779-L783 VanDerWaalsContact O-CG 3.27Å; R779-L783 WeakPolarHBondContact O-CG 3.42Å; R779-L783 PolarHBondContact O-N 3.08Å; R779-L783 VanDerWaalsContact O-N 3.08Å; T780-L783 CarbonylContact O-C 3.59Å; T780-L783 WeakPolarHBondContact O-CB 3.46Å; T780-L783 PolarHBondContact O-N 3.08Å; T780-L783 VanDerWaalsContact O-N 3.12Å; M781-L783 VanDerWaalsContact C-N 3.32Å; M781-L783 PolarHBondContact O-N 3.31Å; L783-V785 VanDerWaalsContact C-N 3.31Å; L783-V785 PolarHBondContact O-N 2.89Å; L783-A786 WeakPolarHBondContact O-CA 3.36Å; L783-A786 WeakPolarHBondContact O-CB 3.43Å; L783-A786 PolarHBondContact O-N 2.98Å; L783-I787 HydrophobicContact CB-CD1 4.37Å; L783-I787 VanDerWaalsContact O-CG1 3.25Å; L783-I787 WeakPolarHBondContact O-CG1 3.28Å; L783-I787 PolarHBondContact O-N 3.22Å; L783-F817 HydrophobicContact CD2-CD2 3.7Å; L783-F817 HydrophobicContact CD2-CE2 3.81Å; L783-Q820 HydrophobicContact CD1-CG 4.49Å; L783-D824 HydrophobicContact CD1-CB 4.35Å; L783-F828 HydrophobicContact CB-CZ 4.35Å |
| 784 | Q | 95.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.7 | -38.1 | 177.9 | -79 | -179 | -11.2 | 0 | 0 | 113.2 | E743 T780 M781 A786 I787 A788 F828 D833 | E743-Q784 HydrophobicContact CG-CB 4.47Å; T780-Q784 WeakPolarHBondContact O-CG 3.38Å; T780-Q784 PolarHBondContact O-N 3.4Å; M781-Q784 VanDerWaalsContact CE-CD 3.49Å; M781-Q784 WeakPolarHBondContact O-CB 3.37Å; M781-Q784 PolarHBondContact O-N 3.22Å; M781-Q784 PolarHBondContact SD-OE1 2.94Å; Q784-A786 VanDerWaalsContact C-N 3.26Å; Q784-A786 PolarHBondContact O-N 3.48Å; Q784-I787 CarbonylContact O-C 3.45Å; Q784-I787 PolarHBondContact O-N 3.03Å; Q784-I787 VanDerWaalsContact O-N 3.09Å; Q784-A788 WeakPolarHBondContact O-CB 3.27Å; Q784-A788 PolarHBondContact O-N 3.29Å; Q784-F828 HydrophobicContact CG-CD1 4.48Å; Q784-F828 HydrophobicContact CG-CE1 3.75Å; Q784-D833 PolarHBondContact NE2-OD1 3.02Å |
| 785 | V | 97.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -56.2 | -43.5 | 173.3 | 178.8 | 0 | 0 | 0 | 0 | 111.3 | A739 L742 E743 I746 F761 A765 M781 L783 A789 | A739-V785 HydrophobicContact CB-CG2 4.06Å; A739-V785 WeakPolarHBondContact O-CG2 3.11Å; L742-V785 HydrophobicContact CB-CG1 4.2Å; L742-V785 HydrophobicContact CB-CG2 4.1Å; E743-V785 HydrophobicContact CB-CG2 4.4Å; I746-V785 HydrophobicContact CD1-CG1 3.85Å; I746-V785 WeakPolarHBondContact CD1-O 3.3Å; F761-V785 HydrophobicContact CB-CG1 4.3Å; A765-V785 HydrophobicContact CB-CB 3.72Å; A765-V785 HydrophobicContact CB-CG1 3.83Å; A765-V785 HydrophobicContact CB-CG2 3.89Å; M781-V785 PolarHBondContact O-N 2.81Å; L783-V785 VanDerWaalsContact C-N 3.31Å; L783-V785 PolarHBondContact O-N 2.89Å; V785-A789 WeakPolarHBondContact O-CB 3.38Å; V785-A789 PolarHBondContact O-N 3.04Å |
| 786 | A | 96.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -72.3 | -35.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L766 L783 Q784 A789 L790 L797 F817 | L766-A786 HydrophobicContact CD1-CB 4.33Å; L766-A786 HydrophobicContact CD2-CB 4.2Å; L766-A786 HydrophobicContact CG-CB 4.47Å; L783-A786 WeakPolarHBondContact O-CA 3.36Å; L783-A786 WeakPolarHBondContact O-CB 3.43Å; L783-A786 PolarHBondContact O-N 2.98Å; Q784-A786 VanDerWaalsContact C-N 3.26Å; Q784-A786 PolarHBondContact O-N 3.48Å; A786-A789 PolarHBondContact O-N 3.22Å; A786-L790 PolarHBondContact O-N 3.27Å; A786-L797 WeakPolarHBondContact O-CD2 3.38Å; A786-F817 HydrophobicContact CB-CD2 4.04Å; A786-F817 HydrophobicContact CB-CE1 4.47Å; A786-F817 HydrophobicContact CB-CE2 3.43Å; A786-F817 VanDerWaalsContact CB-CE2 3.43Å; A786-F817 HydrophobicContact CB-CZ 3.69Å |
| 787 | I | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.1 | -42.4 | 175.5 | -64.9 | 167 | 0 | 0 | 0 | 110.9 | L783 Q784 L790 Y791 F817 W821 F828 M836 | L783-I787 HydrophobicContact CB-CD1 4.37Å; L783-I787 VanDerWaalsContact O-CG1 3.25Å; L783-I787 WeakPolarHBondContact O-CG1 3.28Å; L783-I787 PolarHBondContact O-N 3.22Å; Q784-I787 CarbonylContact O-C 3.45Å; Q784-I787 PolarHBondContact O-N 3.03Å; Q784-I787 VanDerWaalsContact O-N 3.09Å; I787-L790 VanDerWaalsContact O-CB 3.3Å; I787-L790 WeakPolarHBondContact O-CB 3.44Å; I787-L790 PolarHBondContact O-N 2.8Å; I787-L790 VanDerWaalsContact O-N 3.17Å; I787-Y791 PolarHBondContact O-N 3.36Å; I787-F817 HydrophobicContact CG1-CE2 4.46Å; I787-F817 HydrophobicContact CG1-CZ 4.07Å; I787-W821 HydrophobicContact CD1-CD2 4.04Å; I787-W821 VanDerWaalsContact CD1-CE2 3.47Å; I787-W821 HydrophobicContact CD1-CG 4.21Å; I787-W821 HydrophobicContact CD1-CZ2 3.84Å; I787-W821 VanDerWaalsContact CD1-NE1 3.3Å; I787-W821 HydrophobicContact CG1-CD2 4.05Å; I787-W821 HydrophobicContact CG1-CE3 4.4Å; I787-W821 HydrophobicContact CG1-CH2 4.12Å; I787-W821 HydrophobicContact CG1-CZ2 3.76Å; I787-W821 HydrophobicContact CG1-CZ3 4.43Å; I787-W821 HydrophobicContact CG2-CH2 4.39Å; I787-W821 HydrophobicContact CG2-CZ2 4.07Å; I787-F828 HydrophobicContact CD1-CE1 3.81Å; I787-F828 HydrophobicContact CD1-CZ 3.68Å; I787-M836 HydrophobicContact CG2-CE 4.35Å; I787-M836 WeakPolarHBondContact CG2-O 3.42Å |
| 788 | A | 96.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62 | -42.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | E743 I746 L747 Q784 L790 Y791 Y792 M836 | E743-A788 HydrophobicContact CG-CB 3.71Å; I746-A788 HydrophobicContact CB-CB 4.19Å; I746-A788 HydrophobicContact CD1-CB 4.41Å; I746-A788 HydrophobicContact CG2-CB 3.91Å; I746-A788 WeakPolarHBondContact CG2-O 3.47Å; L747-A788 HydrophobicContact CD2-CB 4.06Å; L747-A788 HydrophobicContact CG-CB 4.16Å; Q784-A788 WeakPolarHBondContact O-CB 3.27Å; Q784-A788 PolarHBondContact O-N 3.29Å; A788-L790 VanDerWaalsContact C-N 3.28Å; A788-L790 PolarHBondContact O-N 3.08Å; A788-Y791 CarbonylContact O-C 3.42Å; A788-Y791 PolarHBondContact O-N 2.85Å; A788-Y792 VanDerWaalsContact O-CB 3.29Å; A788-Y792 WeakPolarHBondContact O-CB 3.47Å; A788-Y792 PolarHBondContact O-N 3.33Å; A788-M836 HydrophobicContact CB-CE 3.69Å |
| 789 | A | 96.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.5 | -35.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I746 I758 V762 V785 A786 Y792 N793 L797 | I746-A789 HydrophobicContact CD1-CB 4.38Å; I758-A789 HydrophobicContact CG2-CB 3.69Å; V762-A789 HydrophobicContact CG2-CB 3.62Å; V785-A789 WeakPolarHBondContact O-CB 3.38Å; V785-A789 PolarHBondContact O-N 3.04Å; A786-A789 PolarHBondContact O-N 3.22Å; A789-Y792 PolarHBondContact O-N 2.93Å; A789-N793 PolarHBondContact O-N 3.43Å; A789-L797 HydrophobicContact CB-CD1 3.96Å |
| 790 | L | 95.2 | Very high | 94.6 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.5 | -47.4 | 174.7 | -176.7 | 59.1 | 0 | 0 | 0 | 110.2 | A786 I787 A788 Y792 P794 L797 W821 G840 A843 L844 M847 | A786-L790 PolarHBondContact O-N 3.27Å; I787-L790 VanDerWaalsContact O-CB 3.3Å; I787-L790 WeakPolarHBondContact O-CB 3.44Å; I787-L790 PolarHBondContact O-N 2.8Å; I787-L790 VanDerWaalsContact O-N 3.17Å; A788-L790 VanDerWaalsContact C-N 3.28Å; A788-L790 PolarHBondContact O-N 3.08Å; L790-Y792 VanDerWaalsContact C-N 3.29Å; L790-Y792 PolarHBondContact O-N 3.32Å; L790-P794 HydrophobicContact CD1-CB 3.9Å; L790-P794 HydrophobicContact CD1-CG 4.44Å; L790-P794 VanDerWaalsContact O-CD 3.23Å; L790-P794 WeakPolarHBondContact O-CD 3.42Å; L790-P794 VanDerWaalsContact O-CG 3.27Å; L790-P794 WeakPolarHBondContact O-CG 3.45Å; L790-L797 HydrophobicContact CB-CD2 3.44Å; L790-L797 VanDerWaalsContact CB-CD2 3.44Å; L790-L797 HydrophobicContact CD1-CD2 4.01Å; L790-L797 HydrophobicContact CG-CD2 4.22Å; L790-W821 HydrophobicContact CD2-CH2 3.97Å; L790-W821 HydrophobicContact CD2-CZ3 3.82Å; L790-G840 WeakPolarHBondContact CD2-O 3.35Å; L790-A843 HydrophobicContact CG-CB 4.08Å; L790-L844 HydrophobicContact CD1-CD1 4.39Å; L790-L844 HydrophobicContact CD2-CB 3.87Å; L790-L844 HydrophobicContact CD2-CD1 3.76Å; L790-L844 HydrophobicContact CD2-CG 4.35Å; L790-M847 HydrophobicContact CD1-SD 4.42Å |
| 791 | Y | 94.3 | Very high | 94.6 | Very high | 42 Ų | 42 | 21.5 Ų | 21.5 | 17% | 0.165 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.8 | -32.4 | 176.3 | 179.4 | -111.7 | 0 | 0 | 0 | 112.6 | L747 K750 I787 A788 L839 I949 | L747-Y791 HydrophobicContact CD2-CD1 3.87Å; L747-Y791 HydrophobicContact CD2-CE1 4.37Å; K750-Y791 HydrophobicContact CD-CD1 4.2Å; K750-Y791 HydrophobicContact CD-CE1 3.94Å; K750-Y791 VanDerWaalsContact CE-O 3.3Å; K750-Y791 WeakPolarHBondContact CE-O 3.23Å; K750-Y791 PolarHBondContact NZ-O 2.94Å; I787-Y791 PolarHBondContact O-N 3.36Å; A788-Y791 CarbonylContact O-C 3.42Å; A788-Y791 PolarHBondContact O-N 2.85Å; Y791-L839 HydrophobicContact CD2-CB 4.04Å; Y791-L839 HydrophobicContact CE2-CB 4.23Å; Y791-L839 HydrophobicContact CE2-CD1 4.44Å; Y791-L839 HydrophobicContact CE2-CD2 4.39Å; Y791-I949 HydrophobicContact CE1-CG2 4.36Å |
| 792 | Y | 94.6 | Very high | 94.3 | Very high | 22 Ų | 22 | 25.3 Ų | 25.3 | 9% | 0.086 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67 | -56.7 | 176.1 | 175.8 | -85 | 0 | 0 | 0 | 111.5 | I746 K750 I754 D755 I758 A788 A789 L790 L796 | I746-Y792 HydrophobicContact CG2-CD2 4.11Å; I746-Y792 HydrophobicContact CG2-CG 4.12Å; I746-Y792 WeakPolarHBondContact O-CD2 3.36Å; K750-Y792 VanDerWaalsContact CA-CE2 3.5Å; K750-Y792 HydrophobicContact CB-CD2 4.01Å; K750-Y792 HydrophobicContact CB-CE2 4.41Å; K750-Y792 HydrophobicContact CG-CD2 4.02Å; I754-Y792 HydrophobicContact CD1-CE2 4.27Å; I754-Y792 HydrophobicContact CG1-CE2 3.87Å; D755-Y792 VanDerWaalsContact OD1-CE1 3.23Å; D755-Y792 WeakPolarHBondContact OD1-CE1 3.33Å; D755-Y792 VanDerWaalsContact OD1-CZ 3.32Å; D755-Y792 PolarHBondContact OD1-OH 3.24Å; I758-Y792 HydrophobicContact CD1-CD1 4.12Å; I758-Y792 HydrophobicContact CD1-CD2 4.46Å; I758-Y792 HydrophobicContact CD1-CE1 4.2Å; I758-Y792 HydrophobicContact CD1-CE2 4.47Å; I758-Y792 HydrophobicContact CD1-CG 4.31Å; I758-Y792 HydrophobicContact CG1-CD1 4.01Å; I758-Y792 HydrophobicContact CG1-CE1 3.87Å; A788-Y792 VanDerWaalsContact O-CB 3.29Å; A788-Y792 WeakPolarHBondContact O-CB 3.47Å; A788-Y792 PolarHBondContact O-N 3.33Å; A789-Y792 PolarHBondContact O-N 2.93Å; L790-Y792 VanDerWaalsContact C-N 3.29Å; L790-Y792 PolarHBondContact O-N 3.32Å; Y792-L796 HydrophobicContact CE1-CD2 4.36Å |
| 793 | N | 94.1 | Very high | 93.9 | Very high | 48 Ų | 48 | 30.8 Ų | 30.8 | 26% | 0.257 | 16% | 0.156 | S | C | . | . | trans | -157.1 | 100.5 | 179.5 | -175.6 | -22.7 | 0 | 0 | 0 | 111.1 | A789 H795 L796 L797 | A789-N793 PolarHBondContact O-N 3.43Å; N793-H795 VanDerWaalsContact C-N 3.32Å; N793-H795 PolarHBondContact O-N 2.9Å; N793-H795 PolarHBondContact OD1-N 3.11Å; N793-L796 HydrophobicContact CB-CB 3.87Å; N793-L796 HydrophobicContact CB-CD2 4.5Å; N793-L796 PolarHBondContact O-N 3.46Å; N793-L796 VanDerWaalsContact O-N 3.17Å; N793-L796 PolarHBondContact OD1-N 2.91Å; N793-L797 PolarHBondContact O-N 3.4Å; N793-L797 VanDerWaalsContact O-N 3.08Å | ||
| 794 | P | 93 | Very high | 93.5 | Very high | 36 Ų | 36 | 31.8 Ų | 31.8 | 23% | 0.234 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.9 | -37.8 | -175.3 | -24.5 | 30.8 | 0 | 0 | 0 | 114.6 | L790 L798 A843 M847 | L790-P794 HydrophobicContact CD1-CB 3.9Å; L790-P794 HydrophobicContact CD1-CG 4.44Å; L790-P794 VanDerWaalsContact O-CD 3.23Å; L790-P794 WeakPolarHBondContact O-CD 3.42Å; L790-P794 VanDerWaalsContact O-CG 3.27Å; L790-P794 WeakPolarHBondContact O-CG 3.45Å; P794-L798 WeakPolarHBondContact O-CB 3.26Å; P794-L798 WeakPolarHBondContact O-CG 3.36Å; P794-L798 PolarHBondContact O-N 3.41Å; P794-A843 HydrophobicContact CG-CB 4.45Å; P794-M847 HydrophobicContact CB-CG 4.2Å; P794-M847 HydrophobicContact CB-SD 4.12Å |
| 795 | H | 92.5 | Very high | 92.9 | Very high | 119 Ų | 119 | 37.3 Ų | 37.3 | 55% | 0.551 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -68.7 | -38 | -179.9 | -67.7 | -62.6 | 0 | 0 | 0 | 112.1 | N793 N799 | N793-H795 VanDerWaalsContact C-N 3.32Å; N793-H795 PolarHBondContact O-N 2.9Å; N793-H795 PolarHBondContact OD1-N 3.11Å; H795-N799 WeakPolarHBondContact O-CB 3.45Å; H795-N799 PolarHBondContact O-N 3.31Å; H795-N799 VanDerWaalsContact O-N 3.13Å |
| 796 | L | 94 | Very high | 92 | Very high | 35 Ų | 35 | 38.5 Ų | 38.5 | 18% | 0.183 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.3 | -48.7 | 176.8 | 179.1 | 58.9 | 0 | 0 | 0 | 110.6 | D755 I758 Y792 N793 L798 N799 T800 | D755-L796 HydrophobicContact CB-CD2 3.92Å; I758-L796 HydrophobicContact CB-CD2 3.89Å; I758-L796 HydrophobicContact CG1-CD2 3.93Å; I758-L796 HydrophobicContact CG2-CD2 4.23Å; Y792-L796 HydrophobicContact CE1-CD2 4.36Å; N793-L796 HydrophobicContact CB-CB 3.87Å; N793-L796 HydrophobicContact CB-CD2 4.5Å; N793-L796 PolarHBondContact O-N 3.46Å; N793-L796 VanDerWaalsContact O-N 3.17Å; N793-L796 PolarHBondContact OD1-N 2.91Å; L796-L798 PolarHBondContact O-N 3.06Å; L796-N799 PolarHBondContact O-N 3.48Å; L796-T800 PolarHBondContact O-N 3.4Å; L796-T800 PolarHBondContact O-OG1 2.89Å |
| 797 | L | 94.5 | Very high | 90.8 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.5 | -47.9 | 178.3 | 178.1 | 67.1 | 0 | 0 | 0 | 111.8 | V762 A786 A789 L790 N793 N799 T800 L801 | V762-L797 HydrophobicContact CG1-CD1 3.93Å; V762-L797 HydrophobicContact CG2-CD1 3.85Å; A786-L797 WeakPolarHBondContact O-CD2 3.38Å; A789-L797 HydrophobicContact CB-CD1 3.96Å; L790-L797 HydrophobicContact CB-CD2 3.44Å; L790-L797 VanDerWaalsContact CB-CD2 3.44Å; L790-L797 HydrophobicContact CD1-CD2 4.01Å; L790-L797 HydrophobicContact CG-CD2 4.22Å; N793-L797 PolarHBondContact O-N 3.4Å; N793-L797 VanDerWaalsContact O-N 3.08Å; L797-N799 VanDerWaalsContact C-N 3.28Å; L797-N799 PolarHBondContact O-N 3.14Å; L797-T800 CarbonylContact O-C 3.3Å; L797-T800 WeakPolarHBondContact O-CA 3.47Å; L797-T800 WeakPolarHBondContact O-CB 3.21Å; L797-T800 PolarHBondContact O-N 3.11Å; L797-L801 HydrophobicContact CD1-CD1 4Å; L797-L801 HydrophobicContact CD1-CD2 4.15Å; L797-L801 HydrophobicContact CD1-CG 3.8Å; L797-L801 HydrophobicContact CD2-CD1 4.13Å; L797-L801 HydrophobicContact CG-CD1 3.8Å; L797-L801 HydrophobicContact CG-CG 4.01Å; L797-L801 WeakPolarHBondContact O-CG 3.42Å; L797-L801 PolarHBondContact O-N 2.93Å |
| 798 | L | 91.5 | Very high | 89.5 | Confident | 31 Ų | 31 | 51.1 Ų | 51.1 | 16% | 0.162 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.4 | -44.6 | 179.1 | -78.2 | -178.1 | 0 | 0 | 0 | 111.4 | P794 L796 T800 L801 E802 T814 M847 P851 | P794-L798 WeakPolarHBondContact O-CB 3.26Å; P794-L798 WeakPolarHBondContact O-CG 3.36Å; P794-L798 PolarHBondContact O-N 3.41Å; L796-L798 PolarHBondContact O-N 3.06Å; L798-T800 VanDerWaalsContact C-N 3.31Å; L798-T800 PolarHBondContact O-N 3.11Å; L798-L801 PolarHBondContact O-N 3.01Å; L798-E802 WeakPolarHBondContact O-CB 3.28Å; L798-E802 VanDerWaalsContact O-CG 3.26Å; L798-E802 WeakPolarHBondContact O-CG 3.41Å; L798-E802 PolarHBondContact O-N 3.41Å; L798-T814 HydrophobicContact CD2-CG2 4.24Å; L798-M847 HydrophobicContact CD1-CE 4.15Å; L798-M847 HydrophobicContact CD1-SD 3.44Å; L798-M847 WeakPolarHBondContact CD1-SD 3.45Å; L798-M847 HydrophobicContact CD2-CE 4.5Å; L798-M847 HydrophobicContact CD2-SD 4.43Å; L798-M847 HydrophobicContact CG-SD 4.02Å; L798-P851 HydrophobicContact CD1-CG 4.44Å; L798-P851 HydrophobicContact CD2-CG 4Å |
| 799 | N | 91.9 | Very high | 88.2 | Confident | 99 Ų | 99 | 55.8 Ų | 55.8 | 53% | 0.529 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63 | -39 | 176.5 | -171.5 | 28.5 | 0 | 0 | 0 | 111.7 | H795 L796 L797 N803 | H795-N799 WeakPolarHBondContact O-CB 3.45Å; H795-N799 PolarHBondContact O-N 3.31Å; H795-N799 VanDerWaalsContact O-N 3.13Å; L796-N799 PolarHBondContact O-N 3.48Å; L797-N799 VanDerWaalsContact C-N 3.28Å; L797-N799 PolarHBondContact O-N 3.14Å; N799-N803 PolarHBondContact O-N 3.08Å; N799-N803 PolarHBondContact O-ND2 3.01Å; N799-N803 PolarHBondContact OD1-ND2 3.23Å |
| 800 | T | 92.7 | Very high | 87 | Confident | 12 Ų | 12 | 62.4 Ų | 62.4 | 7% | 0.074 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.5 | -53.7 | 174.2 | -62.2 | 0 | 0 | 0 | 0 | 111.5 | P759 V762 L796 L797 L798 E802 N803 L804 | P759-T800 HydrophobicContact CB-CG2 3.93Å; V762-T800 HydrophobicContact CB-CG2 4.35Å; V762-T800 HydrophobicContact CG1-CG2 4.25Å; L796-T800 PolarHBondContact O-N 3.4Å; L796-T800 PolarHBondContact O-OG1 2.89Å; L797-T800 CarbonylContact O-C 3.3Å; L797-T800 WeakPolarHBondContact O-CA 3.47Å; L797-T800 WeakPolarHBondContact O-CB 3.21Å; L797-T800 PolarHBondContact O-N 3.11Å; L798-T800 VanDerWaalsContact C-N 3.31Å; L798-T800 PolarHBondContact O-N 3.11Å; T800-E802 VanDerWaalsContact C-N 3.31Å; T800-E802 PolarHBondContact O-N 3.12Å; T800-N803 PolarHBondContact O-N 2.84Å; T800-L804 HydrophobicContact CG2-CD1 3.72Å; T800-L804 HydrophobicContact CG2-CG 4.25Å; T800-L804 WeakPolarHBondContact O-CG 3.3Å; T800-L804 PolarHBondContact O-N 2.93Å |
| 801 | L | 92.1 | Very high | 86.3 | Confident | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.3 | -35 | -178.7 | -64.1 | 179.3 | 0 | 0 | 0 | 112.7 | V762 L766 L797 L798 N803 V813 T814 F817 | V762-L801 HydrophobicContact CG1-CD2 3.97Å; L766-L801 HydrophobicContact CD1-CD2 3.61Å; L797-L801 HydrophobicContact CD1-CD1 4Å; L797-L801 HydrophobicContact CD1-CD2 4.15Å; L797-L801 HydrophobicContact CD1-CG 3.8Å; L797-L801 HydrophobicContact CD2-CD1 4.13Å; L797-L801 HydrophobicContact CG-CD1 3.8Å; L797-L801 HydrophobicContact CG-CG 4.01Å; L797-L801 WeakPolarHBondContact O-CG 3.42Å; L797-L801 PolarHBondContact O-N 2.93Å; L798-L801 PolarHBondContact O-N 3.01Å; L801-N803 VanDerWaalsContact C-N 3.25Å; L801-N803 PolarHBondContact O-N 2.95Å; L801-V813 HydrophobicContact CD2-CG1 4.22Å; L801-V813 PolarHBondContact O-N 3Å; L801-T814 WeakPolarHBondContact CB-OG1 3.41Å; L801-F817 HydrophobicContact CD1-CD1 3.71Å; L801-F817 HydrophobicContact CD1-CE1 4.31Å; L801-F817 HydrophobicContact CD1-CG 4.32Å |
| 802 | E | 88.7 | Confident | 85.7 | Confident | 81 Ų | 81 | 67.3 Ų | 67.3 | 38% | 0.379 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -69.3 | -21.6 | 175.5 | -75.5 | -57.5 | 141.6 | 0 | 0 | 113.4 | L798 T800 R805 P812 T814 | L798-E802 WeakPolarHBondContact O-CB 3.28Å; L798-E802 VanDerWaalsContact O-CG 3.26Å; L798-E802 WeakPolarHBondContact O-CG 3.41Å; L798-E802 PolarHBondContact O-N 3.41Å; T800-E802 VanDerWaalsContact C-N 3.31Å; T800-E802 PolarHBondContact O-N 3.12Å; E802-R805 VanDerWaalsContact O-CZ 3.3Å; E802-R805 PolarHBondContact O-NH1 3.24Å; E802-R805 PolarHBondContact O-NH2 3.32Å; E802-P812 WeakPolarHBondContact OE2-CG 3.27Å; E802-T814 WeakPolarHBondContact OE1-CB 3.5Å; E802-T814 PolarHBondContact OE1-OG1 3.42Å |
| 803 | N | 88.5 | Confident | 85.4 | Confident | 116 Ų | 116 | 66.5 Ų | 66.5 | 62% | 0.62 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -99.1 | -21.1 | 177.8 | -69.9 | -49.7 | 0 | 0 | 0 | 113.4 | N799 T800 L801 | N799-N803 PolarHBondContact O-N 3.08Å; N799-N803 PolarHBondContact O-ND2 3.01Å; N799-N803 PolarHBondContact OD1-ND2 3.23Å; T800-N803 PolarHBondContact O-N 2.84Å; L801-N803 VanDerWaalsContact C-N 3.25Å; L801-N803 PolarHBondContact O-N 2.95Å |
| 804 | L | 87.4 | Confident | 85.1 | Confident | 22 Ų | 22 | 64.2 Ų | 64.2 | 12% | 0.115 | 34% | 0.337 | C | S | . | . | trans | -75.1 | 136.8 | 176 | -73.8 | 172.8 | 0 | 0 | 0 | 111.8 | V762 E763 T800 V813 | V762-L804 HydrophobicContact CG1-CD1 4.26Å; E763-L804 HydrophobicContact CB-CD1 4.37Å; E763-L804 HydrophobicContact CB-CD2 3.99Å; E763-L804 HydrophobicContact CG-CD2 3.78Å; T800-L804 HydrophobicContact CG2-CD1 3.72Å; T800-L804 HydrophobicContact CG2-CG 4.25Å; T800-L804 WeakPolarHBondContact O-CG 3.3Å; T800-L804 PolarHBondContact O-N 2.93Å; L804-V813 HydrophobicContact CB-CB 4.37Å; L804-V813 HydrophobicContact CB-CG2 3.91Å; L804-V813 WeakPolarHBondContact O-CG2 3.48Å | ||
| 805 | R | 83.1 | Confident | 84.8 | Confident | 117 Ų | 117 | 64.9 Ų | 64.9 | 44% | 0.442 | 34% | 0.338 | S | S | . | . | trans | -137.9 | 120.1 | 174.9 | -64.5 | -65.8 | 179.2 | -71.4 | -5 | 109.2 | E802 V810 E811 | E802-R805 VanDerWaalsContact O-CZ 3.3Å; E802-R805 PolarHBondContact O-NH1 3.24Å; E802-R805 PolarHBondContact O-NH2 3.32Å; R805-V810 PolarHBondContact NE-O 3.15Å; R805-E811 WeakPolarHBondContact CD-O 3.35Å | ||
| 806 | F | 77.2 | Confident | 84.5 | Confident | 25 Ų | 25 | 63.3 Ų | 63.3 | 11% | 0.11 | 33% | 0.331 | C | S | . | . | trans | -81.2 | 155.2 | 175.4 | -67.8 | -48.6 | 0 | 0 | 0 | 112.5 | L766 E767 T770 N808 N809 V813 | L766-F806 VanDerWaalsContact C-CZ 3.4Å; L766-F806 HydrophobicContact CB-CE2 4.14Å; L766-F806 HydrophobicContact CB-CZ 3.54Å; L766-F806 WeakPolarHBondContact O-CZ 3.34Å; E767-F806 HydrophobicContact CB-CE1 4.04Å; T770-F806 HydrophobicContact CG2-CB 3.94Å; T770-F806 HydrophobicContact CG2-CD1 3.64Å; T770-F806 HydrophobicContact CG2-CD2 3.83Å; T770-F806 HydrophobicContact CG2-CE1 4.12Å; T770-F806 HydrophobicContact CG2-CE2 4.26Å; T770-F806 HydrophobicContact CG2-CG 3.52Å; T770-F806 HydrophobicContact CG2-CZ 4.42Å; F806-N808 PolarHBondContact O-N 3.18Å; F806-N809 PolarHBondContact O-N 3.05Å; F806-N809 VanDerWaalsContact O-N 3.17Å; F806-V813 HydrophobicContact CD2-CB 4.49Å; F806-V813 HydrophobicContact CD2-CG1 4.21Å; F806-V813 HydrophobicContact CD2-CG2 3.46Å; F806-V813 VanDerWaalsContact CD2-CG2 3.46Å; F806-V813 HydrophobicContact CE2-CB 4.11Å; F806-V813 HydrophobicContact CE2-CG1 3.48Å; F806-V813 VanDerWaalsContact CE2-CG1 3.48Å; F806-V813 HydrophobicContact CE2-CG2 3.39Å; F806-V813 HydrophobicContact CG-CG2 4.13Å; F806-V813 HydrophobicContact CZ-CG1 4.16Å; F806-V813 HydrophobicContact CZ-CG2 3.98Å | ||
| 807 | P | 70.7 | Confident | 84.3 | Confident | 97 Ų | 97 | 61.9 Ų | 61.9 | 63% | 0.63 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | 133.6 | 174.6 | -22.9 | 32.6 | 0 | 0 | 0 | 110.8 | N809 | P807-N809 VanDerWaalsContact C-N 3.32Å; P807-N809 PolarHBondContact O-N 3.2Å |
| 808 | N | 70.7 | Confident | 84.2 | Confident | 168 Ų | 168 | 61.9 Ų | 61.9 | 90% | 0.898 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | 0.1 | -180 | -47.3 | -43.8 | 0 | 0 | 0 | 117.4 | F806 | F806-N808 PolarHBondContact O-N 3.18Š|
| 809 | N | 69.1 | Low | 84.1 | Confident | 97 Ų | 97 | 62.9 Ų | 62.9 | 52% | 0.519 | 33% | 0.331 | S | S | . | . | trans | -111.5 | 127.4 | 173.9 | -89 | -34.8 | 0 | 0 | 0 | 112.1 | F806 P807 | F806-N809 PolarHBondContact O-N 3.05Å; F806-N809 VanDerWaalsContact O-N 3.17Å; P807-N809 VanDerWaalsContact C-N 3.32Å; P807-N809 PolarHBondContact O-N 3.2Å | ||
| 810 | V | 71.2 | Confident | 83.9 | Confident | 140 Ų | 140 | 60.6 Ų | 60.6 | 85% | 0.848 | 32% | 0.317 | S | S | * | . | trans | -82.9 | -27.5 | 177.2 | -171.5 | 0 | 0 | 0 | 0 | 111.2 | R805 | R805-V810 PolarHBondContact NE-O 3.15Š| ||
| 811 | E | 80.1 | Confident | 84 | Confident | 120 Ų | 120 | 60 Ų | 60 | 56% | 0.561 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -79.4 | 150.2 | -177.6 | -63.9 | -165.9 | 179.8 | 0 | 0 | 112.3 | R805 N815 | R805-E811 WeakPolarHBondContact CD-O 3.35Å; E811-N815 PolarHBondContact OE2-ND2 3.01Å |
| 812 | P | 82.9 | Confident | 84 | Confident | 25 Ų | 25 | 60.6 Ų | 60.6 | 16% | 0.162 | 32% | 0.316 | C | S | . | . | trans | -57.2 | 147.7 | 168.9 | -9.4 | 18.3 | 0 | 0 | 0 | 112.3 | E802 T814 N815 | E802-P812 WeakPolarHBondContact OE2-CG 3.27Å; P812-T814 PolarHBondContact O-N 3.4Å; P812-T814 VanDerWaalsContact O-N 3.1Å; P812-N815 PolarHBondContact O-N 3.18Å | ||
| 813 | V | 88 | Confident | 84.1 | Confident | 6 Ų | 6 | 61 Ų | 61 | 4% | 0.036 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.7 | -21.5 | -179.7 | 177.6 | 0 | 0 | 0 | 0 | 111.8 | L766 L801 L804 F806 N815 H816 F817 | L766-V813 HydrophobicContact CD1-CG1 3.96Å; L801-V813 HydrophobicContact CD2-CG1 4.22Å; L801-V813 PolarHBondContact O-N 3Å; L804-V813 HydrophobicContact CB-CB 4.37Å; L804-V813 HydrophobicContact CB-CG2 3.91Å; L804-V813 WeakPolarHBondContact O-CG2 3.48Å; F806-V813 HydrophobicContact CD2-CB 4.49Å; F806-V813 HydrophobicContact CD2-CG1 4.21Å; F806-V813 HydrophobicContact CD2-CG2 3.46Å; F806-V813 VanDerWaalsContact CD2-CG2 3.46Å; F806-V813 HydrophobicContact CE2-CB 4.11Å; F806-V813 HydrophobicContact CE2-CG1 3.48Å; F806-V813 VanDerWaalsContact CE2-CG1 3.48Å; F806-V813 HydrophobicContact CE2-CG2 3.39Å; F806-V813 HydrophobicContact CG-CG2 4.13Å; F806-V813 HydrophobicContact CZ-CG1 4.16Å; F806-V813 HydrophobicContact CZ-CG2 3.98Å; V813-N815 VanDerWaalsContact C-N 3.28Å; V813-N815 PolarHBondContact O-N 3.19Å; V813-H816 PolarHBondContact O-N 2.88Å; V813-H816 VanDerWaalsContact O-N 3.08Å; V813-F817 WeakPolarHBondContact O-CB 3.32Å; V813-F817 PolarHBondContact O-N 3.29Å |
| 814 | T | 87.1 | Confident | 84.2 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -46.8 | -46.6 | 177.6 | -40.4 | 0 | 0 | 0 | 0 | 113.4 | L798 L801 E802 P812 I818 | L798-T814 HydrophobicContact CD2-CG2 4.24Å; L801-T814 WeakPolarHBondContact CB-OG1 3.41Å; E802-T814 WeakPolarHBondContact OE1-CB 3.5Å; E802-T814 PolarHBondContact OE1-OG1 3.42Å; P812-T814 PolarHBondContact O-N 3.4Å; P812-T814 VanDerWaalsContact O-N 3.1Å; T814-I818 HydrophobicContact CG2-CD1 4.08Å; T814-I818 WeakPolarHBondContact O-CG1 3.44Å; T814-I818 PolarHBondContact O-N 3.2Å; T814-I818 VanDerWaalsContact O-N 3.16Å |
| 815 | N | 86.5 | Confident | 84.4 | Confident | 50 Ų | 50 | 55.3 Ų | 55.3 | 27% | 0.267 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.5 | -44 | -177.6 | -71.2 | -14.4 | 0 | 0 | 0 | 111.5 | E811 P812 V813 T819 V853 | E811-N815 PolarHBondContact OE2-ND2 3.01Å; P812-N815 PolarHBondContact O-N 3.18Å; V813-N815 VanDerWaalsContact C-N 3.28Å; V813-N815 PolarHBondContact O-N 3.19Å; N815-T819 WeakPolarHBondContact O-CB 3.37Å; N815-T819 PolarHBondContact O-N 2.66Å; N815-T819 VanDerWaalsContact O-N 3.17Å; N815-T819 PolarHBondContact O-OG1 3Å; N815-V853 WeakPolarHBondContact OD1-CB 3.25Å |
| 816 | H | 85.8 | Confident | 84.8 | Confident | 86 Ų | 86 | 54.5 Ų | 54.5 | 40% | 0.398 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.8 | -46.5 | -179.4 | -177 | 58 | 0 | 0 | 0 | 110.9 | V813 T819 Q820 | V813-H816 PolarHBondContact O-N 2.88Å; V813-H816 VanDerWaalsContact O-N 3.08Å; H816-T819 PolarHBondContact O-N 3.03Å; H816-Q820 WeakPolarHBondContact O-CB 3.33Å; H816-Q820 PolarHBondContact O-N 2.94Å |
| 817 | F | 90.8 | Very high | 85.4 | Confident | 5 Ų | 5 | 54.6 Ų | 54.6 | 2% | 0.022 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.7 | -53.5 | 178 | 169.6 | -112.1 | 0 | 0 | 0 | 112.3 | L766 L783 A786 I787 L801 V813 T819 Q820 W821 | L766-F817 HydrophobicContact CD2-CD2 4.32Å; L783-F817 HydrophobicContact CD2-CD2 3.7Å; L783-F817 HydrophobicContact CD2-CE2 3.81Å; A786-F817 HydrophobicContact CB-CD2 4.04Å; A786-F817 HydrophobicContact CB-CE1 4.47Å; A786-F817 HydrophobicContact CB-CE2 3.43Å; A786-F817 VanDerWaalsContact CB-CE2 3.43Å; A786-F817 HydrophobicContact CB-CZ 3.69Å; I787-F817 HydrophobicContact CG1-CE2 4.46Å; I787-F817 HydrophobicContact CG1-CZ 4.07Å; L801-F817 HydrophobicContact CD1-CD1 3.71Å; L801-F817 HydrophobicContact CD1-CE1 4.31Å; L801-F817 HydrophobicContact CD1-CG 4.32Å; V813-F817 WeakPolarHBondContact O-CB 3.32Å; V813-F817 PolarHBondContact O-N 3.29Å; F817-T819 VanDerWaalsContact C-N 3.32Å; F817-T819 PolarHBondContact O-N 3.05Å; F817-Q820 PolarHBondContact O-N 3.27Å; F817-W821 AromaticContact CE1-CE3 3.87Å; F817-W821 HydrophobicContact CE1-CE3 3.87Å; F817-W821 HydrophobicContact CE1-CZ3 4.21Å; F817-W821 HydrophobicContact CE2-CB 4.43Å; F817-W821 HydrophobicContact CZ-CD2 4.31Å; F817-W821 AromaticContact CZ-CE3 3.73Å; F817-W821 HydrophobicContact CZ-CE3 3.73Å; F817-W821 HydrophobicContact CZ-CZ3 4.19Å; F817-W821 WeakPolarHBondContact O-CB 3.44Å; F817-W821 PolarHBondContact O-N 3.18Å |
| 818 | I | 91.4 | Very high | 86.3 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.9 | -39.2 | -177.2 | -69.4 | 172.2 | 0 | 0 | 0 | 111.3 | T814 L822 L844 V853 L854 V857 | T814-I818 HydrophobicContact CG2-CD1 4.08Å; T814-I818 WeakPolarHBondContact O-CG1 3.44Å; T814-I818 PolarHBondContact O-N 3.2Å; T814-I818 VanDerWaalsContact O-N 3.16Å; I818-L822 HydrophobicContact CG2-CD1 4.22Å; I818-L822 WeakPolarHBondContact O-CB 3.32Å; I818-L822 WeakPolarHBondContact O-CG 3.3Å; I818-L822 PolarHBondContact O-N 3.25Å; I818-L822 VanDerWaalsContact O-N 3.15Å; I818-L844 HydrophobicContact CD1-CD1 4.3Å; I818-V853 HydrophobicContact CB-CG1 4.36Å; I818-V853 HydrophobicContact CD1-CG1 3.61Å; I818-V853 HydrophobicContact CG2-CG1 4.49Å; I818-V853 HydrophobicContact CG2-CG2 4.4Å; I818-L854 HydrophobicContact CG2-CD1 4.24Å; I818-V857 HydrophobicContact CG2-CG2 4.02Å |
| 819 | T | 89.3 | Confident | 87 | Confident | 52 Ų | 52 | 45.3 Ų | 45.3 | 32% | 0.319 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -71 | -44.8 | -179.9 | -51.6 | 0 | 0 | 0 | 0 | 111.3 | N815 H816 F817 L822 N823 | N815-T819 WeakPolarHBondContact O-CB 3.37Å; N815-T819 PolarHBondContact O-N 2.66Å; N815-T819 VanDerWaalsContact O-N 3.17Å; N815-T819 PolarHBondContact O-OG1 3Å; H816-T819 PolarHBondContact O-N 3.03Å; F817-T819 VanDerWaalsContact C-N 3.32Å; F817-T819 PolarHBondContact O-N 3.05Å; T819-L822 PolarHBondContact O-N 2.96Å; T819-N823 WeakPolarHBondContact O-CB 3.49Å; T819-N823 PolarHBondContact O-N 3.24Å; T819-N823 VanDerWaalsContact O-N 3.07Å; T819-N823 PolarHBondContact O-ND2 3.33Å |
| 820 | Q | 88.9 | Confident | 87.8 | Confident | 50 Ų | 50 | 40.7 Ų | 40.7 | 23% | 0.234 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.5 | -47.4 | 178.5 | -170.9 | 65.9 | 33.3 | 0 | 0 | 110.7 | L783 H816 F817 L822 N823 D824 | L783-Q820 HydrophobicContact CD1-CG 4.49Å; H816-Q820 WeakPolarHBondContact O-CB 3.33Å; H816-Q820 PolarHBondContact O-N 2.94Å; F817-Q820 PolarHBondContact O-N 3.27Å; Q820-L822 PolarHBondContact O-N 3.46Å; Q820-N823 PolarHBondContact O-N 3.03Å; Q820-N823 VanDerWaalsContact O-N 3.13Å; Q820-D824 WeakPolarHBondContact CG-OD2 3.41Å; Q820-D824 PolarHBondContact NE2-OD2 3.03Å; Q820-D824 PolarHBondContact O-N 3.07Å |
| 821 | W | 93.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.9 | -46.7 | 177.7 | 176.7 | 22.9 | 0 | 0 | 0 | 112.3 | I787 L790 F817 N823 D824 V825 F828 C837 G840 L841 L844 | I787-W821 HydrophobicContact CD1-CD2 4.04Å; I787-W821 VanDerWaalsContact CD1-CE2 3.47Å; I787-W821 HydrophobicContact CD1-CG 4.21Å; I787-W821 HydrophobicContact CD1-CZ2 3.84Å; I787-W821 VanDerWaalsContact CD1-NE1 3.3Å; I787-W821 HydrophobicContact CG1-CD2 4.05Å; I787-W821 HydrophobicContact CG1-CE3 4.4Å; I787-W821 HydrophobicContact CG1-CH2 4.12Å; I787-W821 HydrophobicContact CG1-CZ2 3.76Å; I787-W821 HydrophobicContact CG1-CZ3 4.43Å; I787-W821 HydrophobicContact CG2-CH2 4.39Å; I787-W821 HydrophobicContact CG2-CZ2 4.07Å; L790-W821 HydrophobicContact CD2-CH2 3.97Å; L790-W821 HydrophobicContact CD2-CZ3 3.82Å; F817-W821 AromaticContact CE1-CE3 3.87Å; F817-W821 HydrophobicContact CE1-CE3 3.87Å; F817-W821 HydrophobicContact CE1-CZ3 4.21Å; F817-W821 HydrophobicContact CE2-CB 4.43Å; F817-W821 HydrophobicContact CZ-CD2 4.31Å; F817-W821 AromaticContact CZ-CE3 3.73Å; F817-W821 HydrophobicContact CZ-CE3 3.73Å; F817-W821 HydrophobicContact CZ-CZ3 4.19Å; F817-W821 WeakPolarHBondContact O-CB 3.44Å; F817-W821 PolarHBondContact O-N 3.18Å; W821-N823 VanDerWaalsContact C-N 3.31Å; W821-N823 PolarHBondContact O-N 3.43Å; W821-D824 PolarHBondContact O-N 3.48Å; W821-V825 VanDerWaalsContact O-CG2 3.26Å; W821-V825 WeakPolarHBondContact O-CG2 3.49Å; W821-V825 PolarHBondContact O-N 3.37Å; W821-F828 AromaticContact CD1-CE2 3.96Å; W821-F828 AromaticContact CD1-CZ 3.94Å; W821-C837 PolarHBondContact NE1-SG 2.97Å; W821-G840 VanDerWaalsContact CH2-C 3.46Å; W821-L841 HydrophobicContact CH2-CD2 3.76Å; W821-L841 HydrophobicContact CH2-CG 3.98Å; W821-L841 HydrophobicContact CZ2-CB 4.47Å; W821-L841 HydrophobicContact CZ2-CD2 3.69Å; W821-L841 HydrophobicContact CZ2-CG 3.62Å; W821-L841 HydrophobicContact CZ3-CD2 4.23Å; W821-L844 HydrophobicContact CE3-CD2 4.46Å; W821-L844 HydrophobicContact CH2-CD2 4.49Å; W821-L844 HydrophobicContact CZ3-CD2 3.83Å |
| 822 | L | 92.3 | Very high | 89.1 | Confident | 15 Ų | 15 | 30.1 Ų | 30.1 | 8% | 0.079 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.3 | -28.6 | 178.4 | -73 | 176.3 | 0 | 0 | 0 | 113.8 | I818 T819 Q820 V825 L841 V857 I861 A864 | I818-L822 HydrophobicContact CG2-CD1 4.22Å; I818-L822 WeakPolarHBondContact O-CB 3.32Å; I818-L822 WeakPolarHBondContact O-CG 3.3Å; I818-L822 PolarHBondContact O-N 3.25Å; I818-L822 VanDerWaalsContact O-N 3.15Å; T819-L822 PolarHBondContact O-N 2.96Å; Q820-L822 PolarHBondContact O-N 3.46Å; L822-V825 HydrophobicContact CD2-CG2 4.44Å; L822-V825 WeakPolarHBondContact O-CG2 3.37Å; L822-L841 HydrophobicContact CD2-CD2 3.97Å; L822-V857 HydrophobicContact CD1-CB 3.76Å; L822-V857 HydrophobicContact CD1-CG2 3.34Å; L822-I861 HydrophobicContact CD1-CG1 4.38Å; L822-A864 HydrophobicContact CD2-CB 4.25Å |
| 823 | N | 90.6 | Very high | 89.5 | Confident | 89 Ų | 89 | 29.2 Ų | 29.2 | 48% | 0.476 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -76.6 | -27.8 | 176.2 | -71 | -21.6 | 0 | 0 | 0 | 112.7 | T819 Q820 W821 | T819-N823 WeakPolarHBondContact O-CB 3.49Å; T819-N823 PolarHBondContact O-N 3.24Å; T819-N823 VanDerWaalsContact O-N 3.07Å; T819-N823 PolarHBondContact O-ND2 3.33Å; Q820-N823 PolarHBondContact O-N 3.03Å; Q820-N823 VanDerWaalsContact O-N 3.13Å; W821-N823 VanDerWaalsContact C-N 3.31Å; W821-N823 PolarHBondContact O-N 3.43Å |
| 824 | D | 91.3 | Very high | 89.7 | Confident | 12 Ų | 12 | 30.1 Ų | 30.1 | 6% | 0.064 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 12.9 | -178.1 | -70.8 | -40.4 | 0 | 0 | 0 | 113 | R779 L783 Q820 W821 D826 C827 F828 | R779-D824 VanDerWaalsContact CD-OD2 3.26Å; R779-D824 WeakPolarHBondContact CD-OD2 3.48Å; R779-D824 IonicContact CZ-OD1 3.77Å; R779-D824 IonicContact CZ-OD2 2.79Å; R779-D824 IonicContact NE-OD1 2.71Å; R779-D824 PolarHBondContact NE-OD1 2.86Å; R779-D824 IonicContact NE-OD2 2.75Å; R779-D824 PolarHBondContact NE-OD2 2.86Å; R779-D824 IonicContact NH2-OD1 3.06Å; R779-D824 PolarHBondContact NH2-OD1 3.46Å; L783-D824 HydrophobicContact CD1-CB 4.35Å; Q820-D824 WeakPolarHBondContact CG-OD2 3.41Å; Q820-D824 PolarHBondContact NE2-OD2 3.03Å; Q820-D824 PolarHBondContact O-N 3.07Å; W821-D824 PolarHBondContact O-N 3.48Å; D824-D826 PolarHBondContact O-N 2.94Å; D824-C827 HydrophobicContact CB-CB 4.43Å; D824-C827 VanDerWaalsContact O-CB 3.28Å; D824-C827 WeakPolarHBondContact O-CB 3.36Å; D824-C827 PolarHBondContact O-N 3.36Å; D824-F828 VanDerWaalsContact O-CD2 3.25Å; D824-F828 WeakPolarHBondContact O-CD2 3.45Å |
| 825 | V | 92.1 | Very high | 90 | Very high | 7 Ų | 7 | 30.9 Ų | 30.9 | 4% | 0.042 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -59.8 | -33.2 | -177.2 | 176.2 | 0 | 0 | 0 | 0 | 112.2 | W821 L822 C827 F828 A864 L867 L868 | W821-V825 VanDerWaalsContact O-CG2 3.26Å; W821-V825 WeakPolarHBondContact O-CG2 3.49Å; W821-V825 PolarHBondContact O-N 3.37Å; L822-V825 HydrophobicContact CD2-CG2 4.44Å; L822-V825 WeakPolarHBondContact O-CG2 3.37Å; V825-C827 PolarHBondContact O-N 2.72Å; V825-F828 PolarHBondContact O-N 3.21Å; V825-A864 HydrophobicContact CB-CB 4.37Å; V825-A864 HydrophobicContact CG1-CB 3.94Å; V825-A864 HydrophobicContact CG2-CB 3.92Å; V825-L867 HydrophobicContact CG1-CD2 4.19Å; V825-L868 HydrophobicContact CG1-CD1 3.86Å; V825-L868 HydrophobicContact CG1-CD2 3.77Å; V825-L868 HydrophobicContact CG1-CG 3.58Å |
| 826 | D | 90.5 | Very high | 90.4 | Very high | 100 Ų | 100 | 28.5 Ų | 28.5 | 54% | 0.535 | 15% | 0.148 | S | C | . | . | G | 310 helix | trans | -67.2 | -20.6 | 174.8 | 58.1 | -17.9 | 0 | 0 | 0 | 113.3 | D824 L867 | D824-D826 PolarHBondContact O-N 2.94Å; D826-L867 HydrophobicContact CB-CD2 3.89Å |
| 827 | C | 90.4 | Very high | 90.8 | Very high | 26 Ų | 26 | 24.4 Ų | 24.4 | 18% | 0.176 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -83.1 | -6.8 | 177.2 | -56.8 | 0 | 0 | 0 | 0 | 113.7 | T780 D824 V825 L829 | T780-C827 HydrophobicContact CG2-CB 3.66Å; T780-C827 WeakPolarHBondContact CG2-O 3.39Å; D824-C827 HydrophobicContact CB-CB 4.43Å; D824-C827 VanDerWaalsContact O-CB 3.28Å; D824-C827 WeakPolarHBondContact O-CB 3.36Å; D824-C827 PolarHBondContact O-N 3.36Å; V825-C827 PolarHBondContact O-N 2.72Å; C827-L829 PolarHBondContact O-N 3.38Å |
| 828 | F | 90.2 | Very high | 91.1 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.009 | 13% | 0.128 | C | C | . | . | trans | -81.7 | 96.4 | 175.9 | -72 | -105.9 | 0 | 0 | 0 | 109.1 | T780 L783 Q784 I787 W821 D824 V825 D833 R834 C837 L868 | T780-F828 HydrophobicContact CG2-CD2 4.21Å; T780-F828 HydrophobicContact CG2-CE2 4.16Å; T780-F828 HydrophobicContact CG2-CZ 4.48Å; L783-F828 HydrophobicContact CB-CZ 4.35Å; Q784-F828 HydrophobicContact CG-CD1 4.48Å; Q784-F828 HydrophobicContact CG-CE1 3.75Å; I787-F828 HydrophobicContact CD1-CE1 3.81Å; I787-F828 HydrophobicContact CD1-CZ 3.68Å; W821-F828 AromaticContact CD1-CE2 3.96Å; W821-F828 AromaticContact CD1-CZ 3.94Å; D824-F828 VanDerWaalsContact O-CD2 3.25Å; D824-F828 WeakPolarHBondContact O-CD2 3.45Å; V825-F828 PolarHBondContact O-N 3.21Å; F828-D833 HydrophobicContact CB-CB 4.22Å; F828-D833 HydrophobicContact CD1-CB 4.01Å; F828-D833 WeakPolarHBondContact CD1-O 3.47Å; F828-R834 HydrophobicContact CB-CG 4.32Å; F828-R834 WeakPolarHBondContact O-CG 3.38Å; F828-R834 PolarHBondContact O-NE 3.46Å; F828-C837 HydrophobicContact CD1-CB 3.82Å; F828-C837 HydrophobicContact CE1-CB 4.11Å; F828-C837 HydrophobicContact CG-CB 4.17Å; F828-L868 HydrophobicContact CB-CD2 4.27Å | ||
| 829 | L | 84.9 | Confident | 91.3 | Very high | 68 Ų | 68 | 24.2 Ų | 24.2 | 36% | 0.356 | 13% | 0.129 | S | C | . | . | trans | -95.3 | -39.1 | -170.5 | -57.9 | 179.2 | 0 | 0 | 0 | 113 | C827 R834 T940 | C827-L829 PolarHBondContact O-N 3.38Å; L829-R834 PolarHBondContact O-NE 3.16Å; L829-R834 PolarHBondContact O-NH1 3.22Å; L829-R834 PolarHBondContact O-NH2 3.46Å; L829-T940 HydrophobicContact CB-CG2 4.43Å | ||
| 830 | G | 84.9 | Confident | 91.6 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.01 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -63.5 | 153.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D833 R834 E943 | G830-D833 PolarHBondContact N-OD2 3.03Å; G830-D833 PolarHBondContact O-N 3.46Å; G830-R834 WeakPolarHBondContact O-CB 3.49Å; G830-R834 WeakPolarHBondContact O-CD 3.48Å; G830-R834 WeakPolarHBondContact O-CG 3.3Å; G830-R834 PolarHBondContact O-N 3.28Å; G830-E943 WeakPolarHBondContact CA-OE1 3.45Å |
| 831 | L | 87.8 | Confident | 91.9 | Very high | 33 Ų | 33 | 19.4 Ų | 19.4 | 17% | 0.173 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -56.2 | -49 | 168.2 | -176.2 | 144.8 | 0 | 0 | 0 | 111.2 | K835 L872 A875 Y876 E943 | L831-K835 WeakPolarHBondContact O-CB 3.47Å; L831-K835 PolarHBondContact O-N 3.49Å; L831-L872 WeakPolarHBondContact O-CD2 3.5Å; L831-A875 HydrophobicContact CB-CB 4.17Å; L831-A875 HydrophobicContact CD1-CB 4.1Å; L831-A875 HydrophobicContact CG-CB 4.4Å; L831-Y876 HydrophobicContact CD1-CD1 3.76Å; L831-Y876 HydrophobicContact CD1-CE1 3.74Å; L831-Y876 HydrophobicContact CD1-CG 4.36Å; L831-Y876 HydrophobicContact CD2-CE1 4.18Å; L831-Y876 HydrophobicContact CG-CE1 4.23Å; L831-E943 WeakPolarHBondContact CA-OE1 3.3Å; L831-E943 PolarHBondContact N-OE1 2.95Å |
| 832 | H | 91.2 | Very high | 91.9 | Very high | 5 Ų | 5 | 19.4 Ų | 19.4 | 2% | 0.023 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.9 | -47.4 | 174.5 | 177 | 88.6 | 0 | 0 | 0 | 110.7 | K740 E743 R834 K835 M836 E943 T947 D950 | K740-H832 PolarHBondContact NZ-CD2 2.88Å; K740-H832 PolarHBondContact NZ-NE2 3.07Å; E743-H832 IonicContact OE1-NE2 3.42Å; E743-H832 PolarHBondContact OE1-NE2 3.03Å; E743-H832 IonicContact OE2-NE2 3.54Å; E743-H832 PolarHBondContact OE2-NE2 3.29Å; H832-R834 VanDerWaalsContact C-N 3.34Å; H832-R834 PolarHBondContact O-N 3.03Å; H832-K835 WeakPolarHBondContact O-CB 3.39Å; H832-K835 PolarHBondContact O-N 3.21Å; H832-K835 VanDerWaalsContact O-N 3.12Å; H832-M836 WeakPolarHBondContact NE2-CG 3.3Å; H832-M836 WeakPolarHBondContact O-CB 3.36Å; H832-M836 PolarHBondContact O-N 3.3Å; H832-E943 WeakPolarHBondContact CB-OE1 3.23Å; H832-E943 PolarHBondContact N-OE1 3.39Å; H832-T947 PolarHBondContact CE1-OG1 2.93Å; H832-D950 IonicContact CE1-OD1 2.89Å; H832-D950 IonicContact CE1-OD2 3.9Å; H832-D950 PolarHBondContact CE1-OD2 3.31Å; H832-D950 IonicContact CG-OD1 3.17Å; H832-D950 IonicContact ND1-OD1 2.72Å; H832-D950 PolarHBondContact ND1-OD1 2.99Å; H832-D950 IonicContact ND1-OD2 3.9Å; H832-D950 PolarHBondContact ND1-OD2 3.31Å |
| 833 | D | 91.5 | Very high | 92 | Very high | 5 Ų | 5 | 19.5 Ų | 19.5 | 3% | 0.027 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59.7 | -46.7 | -175.4 | -60.9 | -14.7 | 0 | 0 | 0 | 111.9 | M781 Q784 F828 G830 M836 C837 | M781-D833 WeakPolarHBondContact CE-OD1 3.39Å; Q784-D833 PolarHBondContact NE2-OD1 3.02Å; F828-D833 HydrophobicContact CB-CB 4.22Å; F828-D833 HydrophobicContact CD1-CB 4.01Å; F828-D833 WeakPolarHBondContact CD1-O 3.47Å; G830-D833 PolarHBondContact N-OD2 3.03Å; G830-D833 PolarHBondContact O-N 3.46Å; D833-M836 PolarHBondContact O-N 2.83Å; D833-C837 VanDerWaalsContact O-CB 3.28Å; D833-C837 WeakPolarHBondContact O-CB 3.44Å; D833-C837 PolarHBondContact O-N 3.01Å |
| 834 | R | 93.2 | Very high | 92.1 | Very high | 26 Ų | 26 | 15.4 Ų | 15.4 | 10% | 0.098 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -66.8 | -40.8 | 177.7 | -67 | 167.6 | 177.1 | 151.3 | -2.1 | 110.8 | F828 L829 G830 H832 C837 V838 L868 L872 | F828-R834 HydrophobicContact CB-CG 4.32Å; F828-R834 WeakPolarHBondContact O-CG 3.38Å; F828-R834 PolarHBondContact O-NE 3.46Å; L829-R834 PolarHBondContact O-NE 3.16Å; L829-R834 PolarHBondContact O-NH1 3.22Å; L829-R834 PolarHBondContact O-NH2 3.46Å; G830-R834 WeakPolarHBondContact O-CB 3.49Å; G830-R834 WeakPolarHBondContact O-CD 3.48Å; G830-R834 WeakPolarHBondContact O-CG 3.3Å; G830-R834 PolarHBondContact O-N 3.28Å; H832-R834 VanDerWaalsContact C-N 3.34Å; H832-R834 PolarHBondContact O-N 3.03Å; R834-C837 PolarHBondContact O-N 3.4Å; R834-V838 WeakPolarHBondContact O-CG2 3.35Å; R834-V838 PolarHBondContact O-N 3.38Å; R834-L868 HydrophobicContact CB-CD2 4.21Å; R834-L868 HydrophobicContact CG-CD2 4.13Å; R834-L872 HydrophobicContact CB-CD1 4.34Å; R834-L872 HydrophobicContact CB-CD2 3.66Å; R834-L872 HydrophobicContact CB-CG 3.68Å |
| 835 | K | 93.3 | Very high | 92.2 | Very high | 16 Ų | 16 | 14.9 Ų | 14.9 | 7% | 0.07 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60.5 | -48.4 | 176.6 | -175.8 | 172.5 | -174.5 | 169.8 | 0 | 110.8 | L831 H832 C837 V838 L839 L872 I949 V956 E958 | L831-K835 WeakPolarHBondContact O-CB 3.47Å; L831-K835 PolarHBondContact O-N 3.49Å; H832-K835 WeakPolarHBondContact O-CB 3.39Å; H832-K835 PolarHBondContact O-N 3.21Å; H832-K835 VanDerWaalsContact O-N 3.12Å; K835-C837 PolarHBondContact O-N 3.29Å; K835-V838 PolarHBondContact O-N 3.06Å; K835-L839 HydrophobicContact CG-CD1 4.28Å; K835-L839 WeakPolarHBondContact O-CG 3.47Å; K835-L839 PolarHBondContact O-N 3.38Å; K835-L872 HydrophobicContact CB-CD2 4.32Å; K835-I949 HydrophobicContact CD-CD1 4.46Å; K835-I949 VanDerWaalsContact CE-O 3.26Å; K835-I949 WeakPolarHBondContact CE-O 3.47Å; K835-I949 PolarHBondContact NZ-O 3.48Å; K835-V956 PolarHBondContact NZ-O 2.84Å; K835-E958 WeakPolarHBondContact CE-OE2 3.48Å; K835-E958 HydrophobicContact CG-CB 4.26Å; K835-E958 HydrophobicContact CG-CG 4.22Å; K835-E958 IonicContact NZ-OE2 3.71Å |
| 836 | M | 94 | Very high | 92.2 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.3 | -43.7 | 176.3 | -85.5 | -56.7 | -63.1 | 0 | 0 | 112.7 | E743 L747 I787 A788 H832 D833 V838 L839 G840 I949 | E743-M836 WeakPolarHBondContact OE1-CG 3.29Å; L747-M836 HydrophobicContact CD1-CE 4.09Å; L747-M836 HydrophobicContact CD1-SD 3.8Å; L747-M836 HydrophobicContact CD2-CE 3.83Å; L747-M836 HydrophobicContact CD2-SD 3.92Å; L747-M836 HydrophobicContact CG-CE 4.43Å; I787-M836 HydrophobicContact CG2-CE 4.35Å; I787-M836 WeakPolarHBondContact CG2-O 3.42Å; A788-M836 HydrophobicContact CB-CE 3.69Å; H832-M836 WeakPolarHBondContact NE2-CG 3.3Å; H832-M836 WeakPolarHBondContact O-CB 3.36Å; H832-M836 PolarHBondContact O-N 3.3Å; D833-M836 PolarHBondContact O-N 2.83Å; M836-V838 VanDerWaalsContact C-N 3.34Å; M836-V838 PolarHBondContact O-N 2.87Å; M836-L839 PolarHBondContact O-N 3.44Å; M836-L839 HydrophobicContact SD-CD1 4.49Å; M836-G840 PolarHBondContact O-N 2.91Å; M836-I949 HydrophobicContact CG-CD1 3.45Å; M836-I949 VanDerWaalsContact CG-CD1 3.45Å; M836-I949 HydrophobicContact SD-CD1 3.25Å; M836-I949 WeakPolarHBondContact SD-CD1 3.33Å; M836-I949 HydrophobicContact SD-CG1 4.34Å |
| 837 | C | 95 | Very high | 92.1 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -60.5 | -43.2 | 176.1 | -170 | 0 | 0 | 0 | 0 | 111.7 | W821 F828 D833 R834 K835 G840 L841 L868 | W821-C837 PolarHBondContact NE1-SG 2.97Å; F828-C837 HydrophobicContact CD1-CB 3.82Å; F828-C837 HydrophobicContact CE1-CB 4.11Å; F828-C837 HydrophobicContact CG-CB 4.17Å; D833-C837 VanDerWaalsContact O-CB 3.28Å; D833-C837 WeakPolarHBondContact O-CB 3.44Å; D833-C837 PolarHBondContact O-N 3.01Å; R834-C837 PolarHBondContact O-N 3.4Å; K835-C837 PolarHBondContact O-N 3.29Å; C837-G840 PolarHBondContact O-N 3.43Å; C837-L841 WeakPolarHBondContact O-CB 3.49Å; C837-L841 WeakPolarHBondContact O-CG 3.33Å; C837-L841 PolarHBondContact O-N 3.42Å; C837-L868 HydrophobicContact CB-CD1 3.97Å; C837-L868 HydrophobicContact CB-CD2 3.91Å; C837-L868 WeakPolarHBondContact SG-CD1 3.38Å |
| 838 | V | 96.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.4 | -47.3 | 175.6 | 171.1 | 0 | 0 | 0 | 0 | 111.6 | R834 K835 M836 G840 L841 C842 F865 L868 F869 L872 E958 | R834-V838 WeakPolarHBondContact O-CG2 3.35Å; R834-V838 PolarHBondContact O-N 3.38Å; K835-V838 PolarHBondContact O-N 3.06Å; M836-V838 VanDerWaalsContact C-N 3.34Å; M836-V838 PolarHBondContact O-N 2.87Å; V838-G840 VanDerWaalsContact C-N 3.31Å; V838-G840 PolarHBondContact O-N 3.26Å; V838-L841 PolarHBondContact O-N 3.37Å; V838-C842 WeakPolarHBondContact O-CB 3.39Å; V838-C842 PolarHBondContact O-N 3.02Å; V838-C842 PolarHBondContact O-SG 3Å; V838-F865 HydrophobicContact CG1-CD1 4.25Å; V838-F865 HydrophobicContact CG1-CE1 4.07Å; V838-L868 HydrophobicContact CG2-CB 3.65Å; V838-L868 HydrophobicContact CG2-CD1 3.89Å; V838-L868 HydrophobicContact CG2-CG 4.36Å; V838-F869 HydrophobicContact CG1-CE1 3.89Å; V838-F869 HydrophobicContact CG1-CE2 4.23Å; V838-F869 HydrophobicContact CG1-CZ 3.53Å; V838-F869 HydrophobicContact CG2-CE1 4.32Å; V838-F869 HydrophobicContact CG2-CZ 4.37Å; V838-L872 HydrophobicContact CG2-CD1 3.94Å; V838-E958 HydrophobicContact CB-CB 4.35Å; V838-E958 HydrophobicContact CG1-CB 3.85Å; V838-E958 HydrophobicContact CG1-CG 4.37Å |
| 839 | L | 95.2 | Very high | 91.5 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.4 | -39.8 | 179.2 | -69.2 | 176.5 | 0 | 0 | 0 | 111.8 | Y791 K835 M836 C842 A843 I949 V956 E958 I961 | Y791-L839 HydrophobicContact CD2-CB 4.04Å; Y791-L839 HydrophobicContact CE2-CB 4.23Å; Y791-L839 HydrophobicContact CE2-CD1 4.44Å; Y791-L839 HydrophobicContact CE2-CD2 4.39Å; K835-L839 HydrophobicContact CG-CD1 4.28Å; K835-L839 WeakPolarHBondContact O-CG 3.47Å; K835-L839 PolarHBondContact O-N 3.38Å; M836-L839 PolarHBondContact O-N 3.44Å; M836-L839 HydrophobicContact SD-CD1 4.49Å; L839-C842 WeakPolarHBondContact O-CB 3.36Å; L839-C842 PolarHBondContact O-N 2.71Å; L839-A843 PolarHBondContact O-N 3.26Å; L839-I949 HydrophobicContact CD1-CD1 4.41Å; L839-I949 HydrophobicContact CD1-CG2 4.46Å; L839-V956 HydrophobicContact CD1-CG1 3.78Å; L839-V956 HydrophobicContact CD2-CG1 4.06Å; L839-E958 HydrophobicContact CD2-CB 4.11Å; L839-E958 HydrophobicContact CG-CB 4.35Å; L839-I961 HydrophobicContact CD2-CB 4.47Å; L839-I961 HydrophobicContact CD2-CD1 3.61Å; L839-I961 HydrophobicContact CD2-CG2 4.34Å |
| 840 | G | 95.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.7 | -50.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L790 W821 M836 C837 V838 C842 A843 L844 | L790-G840 WeakPolarHBondContact CD2-O 3.35Å; W821-G840 VanDerWaalsContact CH2-C 3.46Å; M836-G840 PolarHBondContact O-N 2.91Å; C837-G840 PolarHBondContact O-N 3.43Å; V838-G840 VanDerWaalsContact C-N 3.31Å; V838-G840 PolarHBondContact O-N 3.26Å; G840-C842 PolarHBondContact O-N 3.1Å; G840-A843 WeakPolarHBondContact O-CB 3.39Å; G840-A843 PolarHBondContact O-N 3.22Å; G840-A843 VanDerWaalsContact O-N 3.12Å; G840-L844 PolarHBondContact O-N 3.26Å |
| 841 | L | 95.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.4 | -36.7 | 178.9 | -74 | 175.8 | 0 | 0 | 0 | 110.9 | W821 L822 C837 V838 L844 I845 A864 F865 L868 | W821-L841 HydrophobicContact CH2-CD2 3.76Å; W821-L841 HydrophobicContact CH2-CG 3.98Å; W821-L841 HydrophobicContact CZ2-CB 4.47Å; W821-L841 HydrophobicContact CZ2-CD2 3.69Å; W821-L841 HydrophobicContact CZ2-CG 3.62Å; W821-L841 HydrophobicContact CZ3-CD2 4.23Å; L822-L841 HydrophobicContact CD2-CD2 3.97Å; C837-L841 WeakPolarHBondContact O-CB 3.49Å; C837-L841 WeakPolarHBondContact O-CG 3.33Å; C837-L841 PolarHBondContact O-N 3.42Å; V838-L841 PolarHBondContact O-N 3.37Å; L841-L844 HydrophobicContact CD2-CD2 4.32Å; L841-L844 WeakPolarHBondContact O-CB 3.25Å; L841-L844 PolarHBondContact O-N 3.22Å; L841-I845 WeakPolarHBondContact O-CG1 3.38Å; L841-I845 PolarHBondContact O-N 2.7Å; L841-A864 HydrophobicContact CD1-CB 4.17Å; L841-F865 HydrophobicContact CB-CD1 4.45Å; L841-F865 HydrophobicContact CB-CE1 3.62Å; L841-F865 HydrophobicContact CB-CE2 3.93Å; L841-F865 HydrophobicContact CB-CZ 3.33Å; L841-F865 HydrophobicContact CD1-CD1 4.38Å; L841-F865 HydrophobicContact CD1-CE1 4.33Å; L841-F865 HydrophobicContact CD1-CZ 4.43Å; L841-L868 HydrophobicContact CD1-CD1 3.68Å |
| 842 | C | 95.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.007 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.2 | -48.9 | 172.5 | -74.8 | 0 | 0 | 0 | 0 | 111.7 | V838 L839 G840 L844 I845 D846 I961 F962 I965 | V838-C842 WeakPolarHBondContact O-CB 3.39Å; V838-C842 PolarHBondContact O-N 3.02Å; V838-C842 PolarHBondContact O-SG 3Å; L839-C842 WeakPolarHBondContact O-CB 3.36Å; L839-C842 PolarHBondContact O-N 2.71Å; G840-C842 PolarHBondContact O-N 3.1Å; C842-L844 VanDerWaalsContact C-N 3.27Å; C842-L844 PolarHBondContact O-N 3.16Å; C842-I845 WeakPolarHBondContact O-CG1 3.42Å; C842-I845 PolarHBondContact O-N 2.88Å; C842-D846 WeakPolarHBondContact O-CB 3.37Å; C842-D846 PolarHBondContact O-N 2.98Å; C842-I961 HydrophobicContact CB-CG2 4.16Å; C842-F962 VanDerWaalsContact SG-CA 3.53Å; C842-I965 HydrophobicContact CB-CD1 3.72Å |
| 843 | A | 93.8 | Very high | 91.1 | Very high | 17 Ų | 17 | 31.7 Ų | 31.7 | 14% | 0.14 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.9 | -35.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L790 P794 L839 G840 M847 | L790-A843 HydrophobicContact CG-CB 4.08Å; P794-A843 HydrophobicContact CG-CB 4.45Å; L839-A843 PolarHBondContact O-N 3.26Å; G840-A843 WeakPolarHBondContact O-CB 3.39Å; G840-A843 PolarHBondContact O-N 3.22Å; G840-A843 VanDerWaalsContact O-N 3.12Å; A843-M847 VanDerWaalsContact O-CG 3.28Å; A843-M847 WeakPolarHBondContact O-CG 3.13Å |
| 844 | L | 92.2 | Very high | 90.9 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.2 | -44.9 | 177.8 | -162.7 | 68.8 | 0 | 0 | 0 | 112.4 | L790 I818 W821 G840 L841 C842 M847 L854 | L790-L844 HydrophobicContact CD1-CD1 4.39Å; L790-L844 HydrophobicContact CD2-CB 3.87Å; L790-L844 HydrophobicContact CD2-CD1 3.76Å; L790-L844 HydrophobicContact CD2-CG 4.35Å; I818-L844 HydrophobicContact CD1-CD1 4.3Å; W821-L844 HydrophobicContact CE3-CD2 4.46Å; W821-L844 HydrophobicContact CH2-CD2 4.49Å; W821-L844 HydrophobicContact CZ3-CD2 3.83Å; G840-L844 PolarHBondContact O-N 3.26Å; L841-L844 HydrophobicContact CD2-CD2 4.32Å; L841-L844 WeakPolarHBondContact O-CB 3.25Å; L841-L844 PolarHBondContact O-N 3.22Å; C842-L844 VanDerWaalsContact C-N 3.27Å; C842-L844 PolarHBondContact O-N 3.16Å; L844-M847 HydrophobicContact CD1-CE 3.55Å; L844-M847 HydrophobicContact CG-CE 4.13Å; L844-M847 WeakPolarHBondContact O-CE 3.3Å; L844-M847 WeakPolarHBondContact O-CG 3.39Å; L844-L854 HydrophobicContact CD2-CD1 3.47Å; L844-L854 VanDerWaalsContact CD2-CD1 3.47Å; L844-L854 HydrophobicContact CD2-CD2 4.29Å; L844-L854 HydrophobicContact CG-CD1 3.96Å; L844-L854 HydrophobicContact CG-CD2 3.83Å |
| 845 | I | 92.8 | Very high | 90.6 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -79.1 | -21.9 | -176.4 | 64.6 | 172.4 | 0 | 0 | 0 | 113.8 | L841 C842 M847 I861 F865 I965 I969 W976 | L841-I845 WeakPolarHBondContact O-CG1 3.38Å; L841-I845 PolarHBondContact O-N 2.7Å; C842-I845 WeakPolarHBondContact O-CG1 3.42Å; C842-I845 PolarHBondContact O-N 2.88Å; I845-M847 VanDerWaalsContact C-N 3.3Å; I845-I861 HydrophobicContact CG2-CD1 4.33Å; I845-I861 HydrophobicContact CG2-CG2 3.78Å; I845-F865 HydrophobicContact CD1-CE2 3.95Å; I845-F865 HydrophobicContact CD1-CZ 4.04Å; I845-I965 HydrophobicContact CD1-CG2 3.95Å; I845-I965 HydrophobicContact CG1-CG2 3.87Å; I845-I969 HydrophobicContact CB-CD1 3.9Å; I845-I969 HydrophobicContact CD1-CD1 3.72Å; I845-I969 HydrophobicContact CG1-CD1 3.68Å; I845-I969 WeakPolarHBondContact O-CD1 3.47Å; I845-W976 PolarHBondContact O-NE1 3.4Å |
| 846 | D | 93 | Very high | 90.4 | Very high | 61 Ų | 61 | 40.5 Ų | 40.5 | 33% | 0.326 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -5.5 | 179.5 | -162.1 | 37.1 | 0 | 0 | 0 | 113.4 | C842 E848 I965 | C842-D846 WeakPolarHBondContact O-CB 3.37Å; C842-D846 PolarHBondContact O-N 2.98Å; D846-E848 PolarHBondContact O-N 2.99Å; D846-I965 HydrophobicContact CB-CD1 4.36Å; D846-I965 HydrophobicContact CB-CG1 4.41Å; D846-I965 HydrophobicContact CB-CG2 3.79Å |
| 847 | M | 88.1 | Confident | 90.2 | Very high | 18 Ų | 18 | 41.2 Ų | 41.2 | 9% | 0.089 | 20% | 0.204 | C | C | . | . | trans | -60 | 136.7 | -179.8 | -64.4 | -167.1 | -64.8 | 0 | 0 | 112.6 | L790 P794 L798 A843 L844 I845 Q849 P851 L854 | L790-M847 HydrophobicContact CD1-SD 4.42Å; P794-M847 HydrophobicContact CB-CG 4.2Å; P794-M847 HydrophobicContact CB-SD 4.12Å; L798-M847 HydrophobicContact CD1-CE 4.15Å; L798-M847 HydrophobicContact CD1-SD 3.44Å; L798-M847 WeakPolarHBondContact CD1-SD 3.45Å; L798-M847 HydrophobicContact CD2-CE 4.5Å; L798-M847 HydrophobicContact CD2-SD 4.43Å; L798-M847 HydrophobicContact CG-SD 4.02Å; A843-M847 VanDerWaalsContact O-CG 3.28Å; A843-M847 WeakPolarHBondContact O-CG 3.13Å; L844-M847 HydrophobicContact CD1-CE 3.55Å; L844-M847 HydrophobicContact CG-CE 4.13Å; L844-M847 WeakPolarHBondContact O-CE 3.3Å; L844-M847 WeakPolarHBondContact O-CG 3.39Å; I845-M847 VanDerWaalsContact C-N 3.3Å; M847-Q849 VanDerWaalsContact C-N 3.34Å; M847-Q849 PolarHBondContact O-N 2.91Å; M847-P851 VanDerWaalsContact CE-CD 3.48Å; M847-P851 HydrophobicContact CE-CG 3.81Å; M847-L854 HydrophobicContact CE-CD2 4.35Å | ||
| 848 | E | 83.9 | Confident | 90 | Very high | 132 Ų | 132 | 42 Ų | 42 | 62% | 0.617 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -67.8 | -35.3 | 178.6 | -48.3 | -160.2 | 139.6 | 0 | 0 | 112.8 | D846 R972 | D846-E848 PolarHBondContact O-N 2.99Å; E848-R972 IonicContact OE1-CZ 2.64Å; E848-R972 IonicContact OE1-NH1 3.73Å; E848-R972 IonicContact OE1-NH2 2.63Å; E848-R972 PolarHBondContact OE1-NH2 2.89Å |
| 849 | Q | 84.4 | Confident | 89.7 | Confident | 157 Ų | 157 | 43.9 Ų | 43.9 | 73% | 0.734 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -110.5 | 94.7 | 179.3 | -66.6 | -177.2 | -0.7 | 0 | 0 | 109.3 | M847 P851 | M847-Q849 VanDerWaalsContact C-N 3.34Å; M847-Q849 PolarHBondContact O-N 2.91Å; Q849-P851 VanDerWaalsContact O-CD 3.31Å; Q849-P851 WeakPolarHBondContact O-CD 3.47Å |
| 850 | I | 84.9 | Confident | 89.5 | Confident | 36 Ų | 36 | 48 Ų | 48 | 19% | 0.185 | 25% | 0.248 | C | C | . | . | trans | -70.8 | 119.3 | -178 | -62 | 159.6 | 0 | 0 | 0 | 109.6 | L854 N855 W976 | I850-L854 HydrophobicContact CG2-CB 4.02Å; I850-L854 HydrophobicContact CG2-CD2 4.09Å; I850-L854 HydrophobicContact CG2-CG 4.34Å; I850-N855 WeakPolarHBondContact CG2-ND2 3.4Å; I850-W976 HydrophobicContact CD1-CB 3.93Å; I850-W976 HydrophobicContact CD1-CD2 3.48Å; I850-W976 VanDerWaalsContact CD1-CD2 3.48Å; I850-W976 HydrophobicContact CD1-CE3 3.94Å; I850-W976 HydrophobicContact CD1-CG 3.45Å; I850-W976 VanDerWaalsContact CD1-CG 3.45Å; I850-W976 HydrophobicContact CG1-CD2 4.43Å; I850-W976 HydrophobicContact CG2-CE3 4.46Å; I850-W976 HydrophobicContact CG2-CH2 4.07Å; I850-W976 HydrophobicContact CG2-CZ2 4.23Å; I850-W976 HydrophobicContact CG2-CZ3 4.18Å | ||
| 851 | P | 83.5 | Confident | 89.4 | Confident | 21 Ų | 21 | 48 Ų | 48 | 14% | 0.136 | 25% | 0.248 | C | C | . | . | trans | -57.4 | 149.2 | 175.6 | -25 | 34.8 | 0 | 0 | 0 | 112.1 | L798 M847 Q849 V853 L854 N855 | L798-P851 HydrophobicContact CD1-CG 4.44Å; L798-P851 HydrophobicContact CD2-CG 4Å; M847-P851 VanDerWaalsContact CE-CD 3.48Å; M847-P851 HydrophobicContact CE-CG 3.81Å; Q849-P851 VanDerWaalsContact O-CD 3.31Å; Q849-P851 WeakPolarHBondContact O-CD 3.47Å; P851-V853 VanDerWaalsContact C-N 3.3Å; P851-V853 HydrophobicContact CB-CG1 4.08Å; P851-V853 PolarHBondContact O-N 2.93Å; P851-L854 HydrophobicContact CB-CB 4.38Å; P851-L854 WeakPolarHBondContact O-CB 3.44Å; P851-L854 PolarHBondContact O-N 3.38Å; P851-L854 VanDerWaalsContact O-N 3.1Å; P851-N855 PolarHBondContact O-N 2.88Å; P851-N855 PolarHBondContact O-ND2 3.47Å | ||
| 852 | Q | 86 | Confident | 89.4 | Confident | 164 Ų | 164 | 48 Ų | 48 | 77% | 0.766 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -61.3 | -39.6 | -179.3 | -72.5 | -172.2 | -1.4 | 0 | 0 | 112.4 | L854 N855 Q856 | Q852-L854 VanDerWaalsContact C-N 3.28Å; Q852-L854 PolarHBondContact O-N 3.1Å; Q852-N855 WeakPolarHBondContact O-CB 3.35Å; Q852-N855 PolarHBondContact O-N 3.37Å; Q852-Q856 WeakPolarHBondContact O-CG 3.36Å; Q852-Q856 PolarHBondContact O-N 3.29Å |
| 853 | V | 86 | Confident | 89.3 | Confident | 6 Ų | 6 | 49.9 Ų | 49.9 | 4% | 0.036 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.9 | -39.8 | 175 | 60.9 | 0 | 0 | 0 | 0 | 111.7 | N815 I818 P851 N855 Q856 V857 | N815-V853 WeakPolarHBondContact OD1-CB 3.25Å; I818-V853 HydrophobicContact CB-CG1 4.36Å; I818-V853 HydrophobicContact CD1-CG1 3.61Å; I818-V853 HydrophobicContact CG2-CG1 4.49Å; I818-V853 HydrophobicContact CG2-CG2 4.4Å; P851-V853 VanDerWaalsContact C-N 3.3Å; P851-V853 HydrophobicContact CB-CG1 4.08Å; P851-V853 PolarHBondContact O-N 2.93Å; V853-N855 VanDerWaalsContact C-N 3.28Å; V853-N855 PolarHBondContact O-N 2.97Å; V853-Q856 WeakPolarHBondContact O-CA 3.25Å; V853-Q856 WeakPolarHBondContact O-CB 3.12Å; V853-Q856 PolarHBondContact O-N 3.49Å; V853-V857 WeakPolarHBondContact O-CG2 3.27Å; V853-V857 PolarHBondContact O-N 2.96Å |
| 854 | L | 87.9 | Confident | 89.4 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64 | -34.4 | 179.1 | -163.4 | 63.6 | 0 | 0 | 0 | 112.1 | I818 L844 M847 I850 P851 Q852 Q856 V857 S858 I861 W976 | I818-L854 HydrophobicContact CG2-CD1 4.24Å; L844-L854 HydrophobicContact CD2-CD1 3.47Å; L844-L854 VanDerWaalsContact CD2-CD1 3.47Å; L844-L854 HydrophobicContact CD2-CD2 4.29Å; L844-L854 HydrophobicContact CG-CD1 3.96Å; L844-L854 HydrophobicContact CG-CD2 3.83Å; M847-L854 HydrophobicContact CE-CD2 4.35Å; I850-L854 HydrophobicContact CG2-CB 4.02Å; I850-L854 HydrophobicContact CG2-CD2 4.09Å; I850-L854 HydrophobicContact CG2-CG 4.34Å; P851-L854 HydrophobicContact CB-CB 4.38Å; P851-L854 WeakPolarHBondContact O-CB 3.44Å; P851-L854 PolarHBondContact O-N 3.38Å; P851-L854 VanDerWaalsContact O-N 3.1Å; Q852-L854 VanDerWaalsContact C-N 3.28Å; Q852-L854 PolarHBondContact O-N 3.1Å; L854-Q856 VanDerWaalsContact C-N 3.33Å; L854-V857 HydrophobicContact CD1-CG2 4.26Å; L854-S858 WeakPolarHBondContact O-CA 3.32Å; L854-S858 WeakPolarHBondContact O-CB 3.36Å; L854-S858 PolarHBondContact O-N 3.48Å; L854-I861 HydrophobicContact CD1-CD1 3.49Å; L854-I861 VanDerWaalsContact CD1-CD1 3.49Å; L854-I861 HydrophobicContact CD1-CG1 4.39Å; L854-I861 HydrophobicContact CG-CD1 3.97Å; L854-W976 HydrophobicContact CD2-CH2 4.33Å; L854-W976 HydrophobicContact CD2-CZ2 3.99Å; L854-W976 HydrophobicContact CG-CH2 3.97Å; L854-W976 HydrophobicContact CG-CZ2 4.1Å |
| 855 | N | 86.9 | Confident | 89.5 | Confident | 77 Ų | 77 | 49.4 Ų | 49.4 | 41% | 0.412 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.3 | -36.8 | 171.9 | -78.4 | -72.2 | 0 | 0 | 0 | 112.2 | I850 P851 Q852 V853 S858 | I850-N855 WeakPolarHBondContact CG2-ND2 3.4Å; P851-N855 PolarHBondContact O-N 2.88Å; P851-N855 PolarHBondContact O-ND2 3.47Å; Q852-N855 WeakPolarHBondContact O-CB 3.35Å; Q852-N855 PolarHBondContact O-N 3.37Å; V853-N855 VanDerWaalsContact C-N 3.28Å; V853-N855 PolarHBondContact O-N 2.97Å; N855-S858 WeakPolarHBondContact O-CB 3.4Å; N855-S858 PolarHBondContact O-OG 3.42Å |
| 856 | Q | 88.8 | Confident | 89.6 | Confident | 155 Ų | 155 | 49.6 Ų | 49.6 | 72% | 0.724 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -69 | -37.8 | -179.8 | -64.4 | 172.6 | 6.2 | 0 | 0 | 112.1 | Q852 V853 L854 | Q852-Q856 WeakPolarHBondContact O-CG 3.36Å; Q852-Q856 PolarHBondContact O-N 3.29Å; V853-Q856 WeakPolarHBondContact O-CA 3.25Å; V853-Q856 WeakPolarHBondContact O-CB 3.12Å; V853-Q856 PolarHBondContact O-N 3.49Å; L854-Q856 VanDerWaalsContact C-N 3.33Å |
| 857 | V | 89.9 | Confident | 89.7 | Confident | 14 Ų | 14 | 50.8 Ų | 50.8 | 9% | 0.085 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -97.1 | 7.9 | 179.9 | -56.1 | 0 | 0 | 0 | 0 | 113.6 | I818 L822 V853 L854 G859 Q860 | I818-V857 HydrophobicContact CG2-CG2 4.02Å; L822-V857 HydrophobicContact CD1-CB 3.76Å; L822-V857 HydrophobicContact CD1-CG2 3.34Å; V853-V857 WeakPolarHBondContact O-CG2 3.27Å; V853-V857 PolarHBondContact O-N 2.96Å; L854-V857 HydrophobicContact CD1-CG2 4.26Å; V857-G859 PolarHBondContact O-N 3.07Å; V857-Q860 WeakPolarHBondContact O-CB 3.26Å; V857-Q860 PolarHBondContact O-N 3.03Å |
| 858 | S | 90.3 | Very high | 90 | Very high | 17 Ų | 17 | 50 Ų | 50 | 12% | 0.119 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -52.3 | -32.2 | -174.3 | 54.2 | 0 | 0 | 0 | 0 | 114.6 | L854 N855 Q860 | L854-S858 WeakPolarHBondContact O-CA 3.32Å; L854-S858 WeakPolarHBondContact O-CB 3.36Å; L854-S858 PolarHBondContact O-N 3.48Å; N855-S858 WeakPolarHBondContact O-CB 3.4Å; N855-S858 PolarHBondContact O-OG 3.42Å; S858-Q860 VanDerWaalsContact C-N 3.29Å; S858-Q860 PolarHBondContact O-N 3.4Å |
| 859 | G | 89.8 | Confident | 90.6 | Very high | 39 Ų | 39 | 43.9 Ų | 43.9 | 40% | 0.402 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -70.8 | -15.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | V857 P863 | V857-G859 PolarHBondContact O-N 3.07Å; G859-P863 WeakPolarHBondContact O-CD 3.46Å; G859-P863 WeakPolarHBondContact O-CG 3.46Å |
| 860 | Q | 92.1 | Very high | 90.9 | Very high | 89 Ų | 89 | 39.1 Ų | 39.1 | 42% | 0.416 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -92 | -20.1 | -179.9 | -60.4 | 177.5 | 13.9 | 0 | 0 | 112.9 | V857 S858 P863 A864 | V857-Q860 WeakPolarHBondContact O-CB 3.26Å; V857-Q860 PolarHBondContact O-N 3.03Å; S858-Q860 VanDerWaalsContact C-N 3.29Å; S858-Q860 PolarHBondContact O-N 3.4Å; Q860-P863 WeakPolarHBondContact O-CD 3.48Å; Q860-A864 WeakPolarHBondContact O-CB 3.39Å; Q860-A864 PolarHBondContact O-N 3.22Å |
| 861 | I | 93.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.3 | -48.4 | -170.9 | -60.4 | 172.2 | 0 | 0 | 0 | 112.5 | L822 I845 L854 A864 F865 W976 L980 | L822-I861 HydrophobicContact CD1-CG1 4.38Å; I845-I861 HydrophobicContact CG2-CD1 4.33Å; I845-I861 HydrophobicContact CG2-CG2 3.78Å; L854-I861 HydrophobicContact CD1-CD1 3.49Å; L854-I861 VanDerWaalsContact CD1-CD1 3.49Å; L854-I861 HydrophobicContact CD1-CG1 4.39Å; L854-I861 HydrophobicContact CG-CD1 3.97Å; I861-A864 WeakPolarHBondContact O-CB 3.4Å; I861-A864 PolarHBondContact O-N 3.45Å; I861-F865 HydrophobicContact CG2-CD2 3.93Å; I861-F865 HydrophobicContact CG2-CE2 3.67Å; I861-F865 VanDerWaalsContact O-CD2 3.28Å; I861-F865 WeakPolarHBondContact O-CD2 3.06Å; I861-F865 PolarHBondContact O-N 2.93Å; I861-W976 HydrophobicContact CD1-CH2 4.23Å; I861-W976 HydrophobicContact CD1-CZ2 4.28Å; I861-L980 HydrophobicContact CB-CD2 4.12Å; I861-L980 HydrophobicContact CD1-CD2 3.75Å; I861-L980 HydrophobicContact CG1-CD2 4.49Å; I861-L980 HydrophobicContact CG2-CD2 4.28Å |
| 862 | L | 94.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69.4 | -39.4 | 179.4 | -70.8 | -175.9 | 0 | 0 | 0 | 113.1 | A864 F865 I866 F962 F966 L980 T981 L984 L992 | L862-A864 VanDerWaalsContact C-N 3.29Å; L862-A864 PolarHBondContact O-N 3.33Å; L862-F865 HydrophobicContact CD2-CD2 4.04Å; L862-F865 PolarHBondContact O-N 3.32Å; L862-I866 WeakPolarHBondContact O-CG1 3.12Å; L862-I866 PolarHBondContact O-N 3.14Å; L862-F962 HydrophobicContact CD2-CE2 4.38Å; L862-F962 HydrophobicContact CD2-CZ 4.34Å; L862-F966 HydrophobicContact CD1-CE2 3.96Å; L862-F966 HydrophobicContact CD1-CZ 3.94Å; L862-F966 HydrophobicContact CD2-CD2 4.36Å; L862-F966 HydrophobicContact CD2-CE2 3.76Å; L862-F966 HydrophobicContact CD2-CZ 4.25Å; L862-F966 HydrophobicContact CG-CE2 4.47Å; L862-L980 HydrophobicContact CD1-CB 4.05Å; L862-L980 VanDerWaalsContact CD1-O 3.27Å; L862-L980 WeakPolarHBondContact CD1-O 3.37Å; L862-L980 HydrophobicContact CG-CB 4.32Å; L862-T981 HydrophobicContact CD1-CG2 3.87Å; L862-L984 HydrophobicContact CB-CD2 3.81Å; L862-L984 HydrophobicContact CD1-CD1 3.64Å; L862-L984 HydrophobicContact CD1-CD2 4.4Å; L862-L984 HydrophobicContact CD1-CG 4.27Å; L862-L992 HydrophobicContact CD1-CD1 4.19Å; L862-L992 HydrophobicContact CD2-CD2 4.46Å |
| 863 | P | 94.1 | Very high | 91.5 | Very high | 41 Ų | 41 | 35.4 Ų | 35.4 | 27% | 0.266 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -54 | -42.6 | 166 | -29.1 | 35.4 | 0 | 0 | 0 | 113.7 | G859 Q860 I866 L867 | G859-P863 WeakPolarHBondContact O-CD 3.46Å; G859-P863 WeakPolarHBondContact O-CG 3.46Å; Q860-P863 WeakPolarHBondContact O-CD 3.48Å; P863-I866 PolarHBondContact O-N 3.28Å; P863-L867 PolarHBondContact O-N 2.89Å |
| 864 | A | 94.4 | Very high | 91.4 | Very high | 8 Ų | 8 | 44 Ų | 44 | 7% | 0.066 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.9 | -46.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L822 V825 L841 Q860 I861 L862 I866 L867 L868 | L822-A864 HydrophobicContact CD2-CB 4.25Å; V825-A864 HydrophobicContact CB-CB 4.37Å; V825-A864 HydrophobicContact CG1-CB 3.94Å; V825-A864 HydrophobicContact CG2-CB 3.92Å; L841-A864 HydrophobicContact CD1-CB 4.17Å; Q860-A864 WeakPolarHBondContact O-CB 3.39Å; Q860-A864 PolarHBondContact O-N 3.22Å; I861-A864 WeakPolarHBondContact O-CB 3.4Å; I861-A864 PolarHBondContact O-N 3.45Å; L862-A864 VanDerWaalsContact C-N 3.29Å; L862-A864 PolarHBondContact O-N 3.33Å; A864-I866 VanDerWaalsContact C-N 3.31Å; A864-I866 PolarHBondContact O-N 3.44Å; A864-L867 PolarHBondContact O-N 3.16Å; A864-L868 VanDerWaalsContact O-CG 3.31Å; A864-L868 WeakPolarHBondContact O-CG 3.33Å; A864-L868 PolarHBondContact O-N 2.91Å |
| 865 | F | 95.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.7 | -44.2 | 173.4 | -82.8 | -67.4 | 0 | 0 | 0 | 112.5 | V838 L841 I845 I861 L862 L867 L868 F869 F962 | V838-F865 HydrophobicContact CG1-CD1 4.25Å; V838-F865 HydrophobicContact CG1-CE1 4.07Å; L841-F865 HydrophobicContact CB-CD1 4.45Å; L841-F865 HydrophobicContact CB-CE1 3.62Å; L841-F865 HydrophobicContact CB-CE2 3.93Å; L841-F865 HydrophobicContact CB-CZ 3.33Å; L841-F865 HydrophobicContact CD1-CD1 4.38Å; L841-F865 HydrophobicContact CD1-CE1 4.33Å; L841-F865 HydrophobicContact CD1-CZ 4.43Å; I845-F865 HydrophobicContact CD1-CE2 3.95Å; I845-F865 HydrophobicContact CD1-CZ 4.04Å; I861-F865 HydrophobicContact CG2-CD2 3.93Å; I861-F865 HydrophobicContact CG2-CE2 3.67Å; I861-F865 VanDerWaalsContact O-CD2 3.28Å; I861-F865 WeakPolarHBondContact O-CD2 3.06Å; I861-F865 PolarHBondContact O-N 2.93Å; L862-F865 HydrophobicContact CD2-CD2 4.04Å; L862-F865 PolarHBondContact O-N 3.32Å; F865-L867 VanDerWaalsContact C-N 3.35Å; F865-L867 PolarHBondContact O-N 3.36Å; F865-L868 PolarHBondContact O-N 3.11Å; F865-F869 HydrophobicContact CB-CD2 4.24Å; F865-F869 HydrophobicContact CB-CE2 4.28Å; F865-F869 AromaticContact CD1-CE2 3.87Å; F865-F869 HydrophobicContact CD1-CE2 3.87Å; F865-F869 HydrophobicContact CG-CE2 4.47Å; F865-F869 WeakPolarHBondContact O-CB 3.34Å; F865-F869 WeakPolarHBondContact O-CD2 3.36Å; F865-F869 PolarHBondContact O-N 3.47Å; F865-F962 HydrophobicContact CB-CE2 4.27Å; F865-F962 AromaticContact CD1-CD2 3.68Å; F865-F962 HydrophobicContact CD1-CD2 3.68Å; F865-F962 AromaticContact CD1-CE2 3.79Å; F865-F962 HydrophobicContact CD1-CE2 3.79Å; F865-F962 HydrophobicContact CD2-CD2 4.29Å; F865-F962 AromaticContact CD2-CE2 3.68Å; F865-F962 HydrophobicContact CD2-CE2 3.68Å; F865-F962 AromaticContact CE1-CD2 3.52Å; F865-F962 HydrophobicContact CE1-CD2 3.52Å; F865-F962 AromaticContact CE1-CE2 3.92Å; F865-F962 HydrophobicContact CE1-CE2 3.92Å; F865-F962 HydrophobicContact CE1-CG 4.47Å; F865-F962 HydrophobicContact CE2-CD2 4.14Å; F865-F962 AromaticContact CE2-CE2 3.81Å; F865-F962 HydrophobicContact CE2-CE2 3.81Å; F865-F962 HydrophobicContact CG-CD2 4.06Å; F865-F962 AromaticContact CG-CE2 3.66Å; F865-F962 HydrophobicContact CG-CE2 3.66Å; F865-F962 HydrophobicContact CG-CZ 4.37Å; F865-F962 AromaticContact CZ-CD2 3.74Å; F865-F962 HydrophobicContact CZ-CD2 3.74Å; F865-F962 AromaticContact CZ-CE2 3.9Å; F865-F962 HydrophobicContact CZ-CE2 3.9Å |
| 866 | I | 94.7 | Very high | 91 | Very high | 7 Ų | 7 | 43.5 Ų | 43.5 | 4% | 0.036 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.6 | -44.9 | 179.9 | -70.1 | 165.8 | 0 | 0 | 0 | 110.8 | L862 P863 A864 N870 Q988 Q991 L992 I995 | L862-I866 WeakPolarHBondContact O-CG1 3.12Å; L862-I866 PolarHBondContact O-N 3.14Å; P863-I866 PolarHBondContact O-N 3.28Å; A864-I866 VanDerWaalsContact C-N 3.31Å; A864-I866 PolarHBondContact O-N 3.44Å; I866-N870 WeakPolarHBondContact O-CB 3.45Å; I866-N870 PolarHBondContact O-N 3.07Å; I866-N870 PolarHBondContact O-ND2 3.02Å; I866-Q988 HydrophobicContact CD1-CB 3.54Å; I866-Q988 HydrophobicContact CD1-CG 3.79Å; I866-Q991 HydrophobicContact CG1-CB 4.41Å; I866-Q991 HydrophobicContact CG2-CB 4.02Å; I866-Q991 HydrophobicContact CG2-CG 4.37Å; I866-L992 HydrophobicContact CD1-CD1 4.28Å; I866-L992 HydrophobicContact CD1-CD2 4.42Å; I866-L992 HydrophobicContact CD1-CG 3.95Å; I866-L992 HydrophobicContact CG1-CD2 4.01Å; I866-L992 HydrophobicContact CG1-CG 3.99Å; I866-I995 HydrophobicContact CG1-CD1 4.32Å |
| 867 | L | 93.5 | Very high | 90.5 | Very high | 85 Ų | 85 | 38.4 Ų | 38.4 | 45% | 0.445 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -58.9 | -51.5 | 177.3 | -177.1 | 64.6 | 0 | 0 | 0 | 110.9 | V825 D826 P863 A864 F865 F869 N870 G871 | V825-L867 HydrophobicContact CG1-CD2 4.19Å; D826-L867 HydrophobicContact CB-CD2 3.89Å; P863-L867 PolarHBondContact O-N 2.89Å; A864-L867 PolarHBondContact O-N 3.16Å; F865-L867 VanDerWaalsContact C-N 3.35Å; F865-L867 PolarHBondContact O-N 3.36Å; L867-F869 PolarHBondContact O-N 3.47Å; L867-N870 PolarHBondContact O-N 2.93Å; L867-G871 PolarHBondContact O-N 3.17Å |
| 868 | L | 94.9 | Very high | 89.8 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.016 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.2 | -44.1 | 179.9 | -67.7 | 165.2 | 0 | 0 | 0 | 112.6 | V825 F828 R834 C837 V838 L841 A864 F865 G871 L872 | V825-L868 HydrophobicContact CG1-CD1 3.86Å; V825-L868 HydrophobicContact CG1-CD2 3.77Å; V825-L868 HydrophobicContact CG1-CG 3.58Å; F828-L868 HydrophobicContact CB-CD2 4.27Å; R834-L868 HydrophobicContact CB-CD2 4.21Å; R834-L868 HydrophobicContact CG-CD2 4.13Å; C837-L868 HydrophobicContact CB-CD1 3.97Å; C837-L868 HydrophobicContact CB-CD2 3.91Å; C837-L868 WeakPolarHBondContact SG-CD1 3.38Å; V838-L868 HydrophobicContact CG2-CB 3.65Å; V838-L868 HydrophobicContact CG2-CD1 3.89Å; V838-L868 HydrophobicContact CG2-CG 4.36Å; L841-L868 HydrophobicContact CD1-CD1 3.68Å; A864-L868 VanDerWaalsContact O-CG 3.31Å; A864-L868 WeakPolarHBondContact O-CG 3.33Å; A864-L868 PolarHBondContact O-N 2.91Å; F865-L868 PolarHBondContact O-N 3.11Å; L868-G871 PolarHBondContact O-N 2.96Å; L868-L872 WeakPolarHBondContact O-CB 3.42Å; L868-L872 WeakPolarHBondContact O-CG 3.5Å; L868-L872 PolarHBondContact O-N 2.97Å |
| 869 | F | 96 | Very high | 88.9 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.009 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.2 | -34.7 | 178.8 | -78.3 | -56.1 | 0 | 0 | 0 | 112.8 | V838 F865 L867 G871 L872 K873 E958 Y959 F962 I995 | V838-F869 HydrophobicContact CG1-CE1 3.89Å; V838-F869 HydrophobicContact CG1-CE2 4.23Å; V838-F869 HydrophobicContact CG1-CZ 3.53Å; V838-F869 HydrophobicContact CG2-CE1 4.32Å; V838-F869 HydrophobicContact CG2-CZ 4.37Å; F865-F869 HydrophobicContact CB-CD2 4.24Å; F865-F869 HydrophobicContact CB-CE2 4.28Å; F865-F869 AromaticContact CD1-CE2 3.87Å; F865-F869 HydrophobicContact CD1-CE2 3.87Å; F865-F869 HydrophobicContact CG-CE2 4.47Å; F865-F869 WeakPolarHBondContact O-CB 3.34Å; F865-F869 WeakPolarHBondContact O-CD2 3.36Å; F865-F869 PolarHBondContact O-N 3.47Å; L867-F869 PolarHBondContact O-N 3.47Å; F869-G871 VanDerWaalsContact C-N 3.34Å; F869-L872 HydrophobicContact CD1-CD1 4.05Å; F869-L872 HydrophobicContact CE1-CD1 4.43Å; F869-K873 WeakPolarHBondContact O-CB 3.43Å; F869-K873 PolarHBondContact O-N 3.49Å; F869-E958 HydrophobicContact CE1-CG 4.25Å; F869-Y959 HydrophobicContact CB-CE1 4.24Å; F869-Y959 AromaticContact CD1-CD1 3.66Å; F869-Y959 HydrophobicContact CD1-CD1 3.66Å; F869-Y959 HydrophobicContact CD1-CD2 4.12Å; F869-Y959 AromaticContact CD1-CE1 3.26Å; F869-Y959 HydrophobicContact CD1-CE1 3.26Å; F869-Y959 AromaticContact CD1-CE2 3.77Å; F869-Y959 HydrophobicContact CD1-CE2 3.77Å; F869-Y959 HydrophobicContact CD1-CG 4.07Å; F869-Y959 AromaticContact CD1-CZ 3.35Å; F869-Y959 AromaticContact CE1-CD1 3.64Å; F869-Y959 HydrophobicContact CE1-CD1 3.64Å; F869-Y959 AromaticContact CE1-CD2 3.84Å; F869-Y959 HydrophobicContact CE1-CD2 3.84Å; F869-Y959 AromaticContact CE1-CE1 3.76Å; F869-Y959 HydrophobicContact CE1-CE1 3.76Å; F869-Y959 AromaticContact CE1-CE2 3.95Å; F869-Y959 HydrophobicContact CE1-CE2 3.95Å; F869-Y959 AromaticContact CE1-CG 3.69Å; F869-Y959 HydrophobicContact CE1-CG 3.69Å; F869-Y959 AromaticContact CE1-CZ 3.94Å; F869-Y959 HydrophobicContact CG-CD1 4.48Å; F869-Y959 AromaticContact CG-CE1 3.97Å; F869-Y959 HydrophobicContact CG-CE1 3.97Å; F869-Y959 HydrophobicContact CZ-CD1 4.47Å; F869-Y959 PolarHBondContact O-OH 2.93Å; F869-F962 HydrophobicContact CE2-CB 4.08Å; F869-F962 AromaticContact CE2-CD1 3.61Å; F869-F962 HydrophobicContact CE2-CD1 3.61Å; F869-F962 HydrophobicContact CE2-CD2 4.12Å; F869-F962 HydrophobicContact CE2-CE1 4.04Å; F869-F962 AromaticContact CE2-CG 3.65Å; F869-F962 HydrophobicContact CE2-CG 3.65Å; F869-F962 HydrophobicContact CE2-CZ 4.47Å; F869-F962 HydrophobicContact CZ-CB 3.64Å; F869-F962 AromaticContact CZ-CD1 3.9Å; F869-F962 HydrophobicContact CZ-CD1 3.9Å; F869-F962 AromaticContact CZ-CG 3.76Å; F869-F962 HydrophobicContact CZ-CG 3.76Å; F869-I995 HydrophobicContact CB-CD1 3.72Å; F869-I995 HydrophobicContact CB-CG1 3.83Å; F869-I995 HydrophobicContact CD1-CG2 4.37Å; F869-I995 HydrophobicContact CD2-CD1 3.63Å; F869-I995 HydrophobicContact CD2-CG1 4.08Å; F869-I995 HydrophobicContact CD2-CG2 3.67Å; F869-I995 HydrophobicContact CE1-CG2 4.42Å; F869-I995 HydrophobicContact CE2-CG2 3.75Å; F869-I995 HydrophobicContact CG-CD1 3.98Å; F869-I995 HydrophobicContact CG-CG1 4.07Å; F869-I995 HydrophobicContact CG-CG2 4Å; F869-I995 HydrophobicContact CZ-CG2 4.13Å |
| 870 | N | 91.2 | Very high | 88 | Confident | 58 Ų | 58 | 41.7 Ų | 41.7 | 31% | 0.31 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.1 | -42.4 | 172.1 | -72.5 | -25 | 0 | 0 | 0 | 110.9 | I866 L867 K873 R874 Q991 | I866-N870 WeakPolarHBondContact O-CB 3.45Å; I866-N870 PolarHBondContact O-N 3.07Å; I866-N870 PolarHBondContact O-ND2 3.02Å; L867-N870 PolarHBondContact O-N 2.93Å; N870-K873 PolarHBondContact O-N 3.11Å; N870-R874 WeakPolarHBondContact O-CG 3.32Å; N870-R874 PolarHBondContact O-N 3.37Å; N870-Q991 PolarHBondContact ND2-NE2 3.49Å |
| 871 | G | 89.3 | Confident | 86.9 | Confident | 10 Ų | 10 | 43.4 Ų | 43.4 | 10% | 0.103 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.9 | -51.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L867 L868 F869 K873 R874 A875 | L867-G871 PolarHBondContact O-N 3.17Å; L868-G871 PolarHBondContact O-N 2.96Å; F869-G871 VanDerWaalsContact C-N 3.34Å; G871-K873 VanDerWaalsContact C-N 3.29Å; G871-K873 PolarHBondContact O-N 3.38Å; G871-R874 WeakPolarHBondContact O-CB 3.43Å; G871-R874 PolarHBondContact O-N 2.66Å; G871-A875 PolarHBondContact O-N 2.82Å |
| 872 | L | 90.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56.3 | -41.8 | 176.5 | -77.8 | 168 | 0 | 0 | 0 | 112.4 | L831 R834 K835 V838 L868 F869 R874 A875 Y876 E958 Y959 | L831-L872 WeakPolarHBondContact O-CD2 3.5Å; R834-L872 HydrophobicContact CB-CD1 4.34Å; R834-L872 HydrophobicContact CB-CD2 3.66Å; R834-L872 HydrophobicContact CB-CG 3.68Å; K835-L872 HydrophobicContact CB-CD2 4.32Å; V838-L872 HydrophobicContact CG2-CD1 3.94Å; L868-L872 WeakPolarHBondContact O-CB 3.42Å; L868-L872 WeakPolarHBondContact O-CG 3.5Å; L868-L872 PolarHBondContact O-N 2.97Å; F869-L872 HydrophobicContact CD1-CD1 4.05Å; F869-L872 HydrophobicContact CE1-CD1 4.43Å; L872-R874 VanDerWaalsContact C-N 3.27Å; L872-R874 PolarHBondContact O-N 2.69Å; L872-A875 PolarHBondContact O-N 3.42Å; L872-Y876 HydrophobicContact CB-CD2 4.32Å; L872-Y876 HydrophobicContact CB-CE2 4.25Å; L872-Y876 HydrophobicContact CD2-CE2 4.09Å; L872-Y876 WeakPolarHBondContact O-CB 3.41Å; L872-Y876 WeakPolarHBondContact O-CD2 3.47Å; L872-Y876 PolarHBondContact O-N 3.44Å; L872-E958 HydrophobicContact CD1-CG 3.91Å; L872-Y959 HydrophobicContact CB-CE2 4.45Å; L872-Y959 HydrophobicContact CD1-CE2 4.47Å |
| 873 | K | 87.4 | Confident | 83.5 | Confident | 132 Ų | 132 | 55.5 Ų | 55.5 | 57% | 0.574 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -61.8 | -37.1 | 178.2 | -177 | -177.8 | 174.6 | -171.2 | 0 | 112 | F869 N870 G871 A877 | F869-K873 WeakPolarHBondContact O-CB 3.43Å; F869-K873 PolarHBondContact O-N 3.49Å; N870-K873 PolarHBondContact O-N 3.11Å; G871-K873 VanDerWaalsContact C-N 3.29Å; G871-K873 PolarHBondContact O-N 3.38Å; K873-A877 PolarHBondContact O-N 2.98Å |
| 874 | R | 84 | Confident | 81.4 | Confident | 188 Ų | 188 | 59.3 Ų | 59.3 | 71% | 0.709 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -71.2 | -48.4 | 175.1 | -67 | 176.2 | -176.1 | -179.9 | -2.1 | 110.7 | N870 G871 L872 Y876 A877 C878 | N870-R874 WeakPolarHBondContact O-CG 3.32Å; N870-R874 PolarHBondContact O-N 3.37Å; G871-R874 WeakPolarHBondContact O-CB 3.43Å; G871-R874 PolarHBondContact O-N 2.66Å; L872-R874 VanDerWaalsContact C-N 3.27Å; L872-R874 PolarHBondContact O-N 2.69Å; R874-Y876 PolarHBondContact O-N 3.2Å; R874-A877 WeakPolarHBondContact O-CB 3.39Å; R874-A877 PolarHBondContact O-N 2.8Å; R874-C878 PolarHBondContact O-N 3.23Å |
| 875 | A | 81.7 | Confident | 79 | Confident | 9 Ų | 9 | 63.8 Ų | 63.8 | 7% | 0.074 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.4 | -45.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L831 G871 L872 A877 C878 H879 | L831-A875 HydrophobicContact CB-CB 4.17Å; L831-A875 HydrophobicContact CD1-CB 4.1Å; L831-A875 HydrophobicContact CG-CB 4.4Å; G871-A875 PolarHBondContact O-N 2.82Å; L872-A875 PolarHBondContact O-N 3.42Å; A875-A877 VanDerWaalsContact C-N 3.28Å; A875-A877 PolarHBondContact O-N 2.82Å; A875-C878 PolarHBondContact O-N 3.23Å; A875-H879 WeakPolarHBondContact O-CB 3.49Å; A875-H879 PolarHBondContact O-N 3.12Å |
| 876 | Y | 83.7 | Confident | 76.3 | Confident | 56 Ų | 56 | 68.4 Ų | 68.4 | 22% | 0.22 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.9 | -28.3 | 175 | -78.4 | -55.8 | 0 | 0 | 0 | 114 | L831 L872 R874 A880 E958 Y959 | L831-Y876 HydrophobicContact CD1-CD1 3.76Å; L831-Y876 HydrophobicContact CD1-CE1 3.74Å; L831-Y876 HydrophobicContact CD1-CG 4.36Å; L831-Y876 HydrophobicContact CD2-CE1 4.18Å; L831-Y876 HydrophobicContact CG-CE1 4.23Å; L872-Y876 HydrophobicContact CB-CD2 4.32Å; L872-Y876 HydrophobicContact CB-CE2 4.25Å; L872-Y876 HydrophobicContact CD2-CE2 4.09Å; L872-Y876 WeakPolarHBondContact O-CB 3.41Å; L872-Y876 WeakPolarHBondContact O-CD2 3.47Å; L872-Y876 PolarHBondContact O-N 3.44Å; R874-Y876 PolarHBondContact O-N 3.2Å; Y876-A880 WeakPolarHBondContact O-CB 3.35Å; Y876-A880 PolarHBondContact O-N 3.39Å; Y876-E958 WeakPolarHBondContact CE2-OE1 3.09Å; Y876-E958 PolarHBondContact OH-OE1 3.29Å; Y876-Y959 HydrophobicContact CE2-CE2 4.34Å |
| 877 | A | 79.6 | Confident | 73.5 | Confident | 49 Ų | 49 | 75 Ų | 75 | 41% | 0.405 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -74.4 | -44.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | K873 R874 A875 A880 E881 | K873-A877 PolarHBondContact O-N 2.98Å; R874-A877 WeakPolarHBondContact O-CB 3.39Å; R874-A877 PolarHBondContact O-N 2.8Å; A875-A877 VanDerWaalsContact C-N 3.28Å; A875-A877 PolarHBondContact O-N 2.82Å; A877-A880 PolarHBondContact O-N 3.21Å; A877-E881 WeakPolarHBondContact O-CG 3.47Å; A877-E881 PolarHBondContact O-N 3.38Å |
| 878 | C | 74.3 | Confident | 70.5 | Confident | 31 Ų | 31 | 77.8 Ų | 77.8 | 21% | 0.209 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -59.9 | -50.6 | 175.6 | -170.3 | 0 | 0 | 0 | 0 | 111.6 | R874 A875 A880 E881 H882 A937 | R874-C878 PolarHBondContact O-N 3.23Å; A875-C878 PolarHBondContact O-N 3.23Å; C878-A880 VanDerWaalsContact C-N 3.26Å; C878-A880 PolarHBondContact O-N 2.79Å; C878-E881 PolarHBondContact O-N 3.14Å; C878-H882 PolarHBondContact O-CD2 3.16Å; C878-H882 PolarHBondContact O-N 2.94Å; C878-A937 HydrophobicContact CB-CB 4.37Å |
| 879 | H | 71.3 | Confident | 67.4 | Low | 67 Ų | 67 | 85.2 Ų | 85.2 | 31% | 0.31 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -59.7 | -36.7 | 178.2 | -169.9 | 82 | 0 | 0 | 0 | 112.2 | A875 E883 E939 | A875-H879 WeakPolarHBondContact O-CB 3.49Å; A875-H879 PolarHBondContact O-N 3.12Å; H879-E883 IonicContact NE2-OE1 3.29Å; H879-E883 PolarHBondContact O-N 3.32Å; H879-E939 IonicContact CE1-OE1 2.89Å; H879-E939 PolarHBondContact CE1-OE1 3.25Å; H879-E939 IonicContact ND1-OE1 2.56Å; H879-E939 PolarHBondContact ND1-OE1 3.29Å |
| 880 | A | 72.4 | Confident | 64.4 | Low | 40 Ų | 40 | 92.3 Ų | 92.3 | 33% | 0.331 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -72.9 | -25.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y876 A877 C878 N884 | Y876-A880 WeakPolarHBondContact O-CB 3.35Å; Y876-A880 PolarHBondContact O-N 3.39Å; A877-A880 PolarHBondContact O-N 3.21Å; C878-A880 VanDerWaalsContact C-N 3.26Å; C878-A880 PolarHBondContact O-N 2.79Å; A880-N884 PolarHBondContact O-N 3.04Å; A880-N884 PolarHBondContact O-ND2 3.13Å |
| 881 | E | 68.7 | Low | 61.6 | Low | 126 Ų | 126 | 97.3 Ų | 97.3 | 59% | 0.589 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -73.5 | -46.1 | 172.8 | -75.2 | 172.7 | 178.8 | 0 | 0 | 109.9 | A877 C878 E883 N884 D885 | A877-E881 WeakPolarHBondContact O-CG 3.47Å; A877-E881 PolarHBondContact O-N 3.38Å; C878-E881 PolarHBondContact O-N 3.14Å; E881-E883 PolarHBondContact O-N 3.06Å; E881-N884 PolarHBondContact O-N 3.5Å; E881-D885 PolarHBondContact O-N 3.11Å |
| 882 | H | 60.6 | Low | 58.8 | Low | 136 Ų | 136 | 101.2 Ų | 101.2 | 63% | 0.63 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.1 | -39.2 | 174 | -82 | -71.6 | 0 | 0 | 0 | 113.8 | C878 N884 | C878-H882 PolarHBondContact O-CD2 3.16Å; C878-H882 PolarHBondContact O-N 2.94Å; H882-N884 PolarHBondContact O-N 3.09Å |
| 883 | E | 56.2 | Low | 56 | Low | 117 Ų | 117 | 108.8 Ų | 108.8 | 55% | 0.547 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.4 | -25.1 | 173.5 | -78.8 | -170 | 153.7 | 0 | 0 | 113.2 | H879 E881 S886 | H879-E883 IonicContact NE2-OE1 3.29Å; H879-E883 PolarHBondContact O-N 3.32Å; E881-E883 PolarHBondContact O-N 3.06Å; E883-S886 PolarHBondContact O-OG 3.18Å |
| 884 | N | 49.4 | Very low | 53.4 | Low | 121 Ų | 121 | 108.9 Ų | 108.9 | 65% | 0.647 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -92.7 | -28.6 | 179.3 | -73.9 | -55 | 0 | 0 | 0 | 113.4 | A880 E881 H882 S886 | A880-N884 PolarHBondContact O-N 3.04Å; A880-N884 PolarHBondContact O-ND2 3.13Å; E881-N884 PolarHBondContact O-N 3.5Å; H882-N884 PolarHBondContact O-N 3.09Å; N884-S886 VanDerWaalsContact C-N 3.3Å; N884-S886 PolarHBondContact O-N 3.21Å |
| 885 | D | 44 | Very low | 51.1 | Low | 103 Ų | 103 | 107.3 Ų | 107.3 | 55% | 0.551 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -80.7 | -8.5 | -176.2 | -74.9 | -15.5 | 0 | 0 | 0 | 113.5 | E881 D887 D888 | E881-D885 PolarHBondContact O-N 3.11Å; D885-D887 PolarHBondContact O-N 3.32Å; D885-D888 PolarHBondContact O-N 2.86Å |
| 886 | S | 38 | Very low | 49.2 | Very low | 96 Ų | 96 | 113.3 Ų | 113.3 | 67% | 0.671 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | 3.3 | 174.8 | 47.3 | 0 | 0 | 0 | 0 | 115.1 | E883 N884 | E883-S886 PolarHBondContact O-OG 3.18Å; N884-S886 VanDerWaalsContact C-N 3.3Å; N884-S886 PolarHBondContact O-N 3.21Å |
| 887 | D | 36.1 | Very low | 47.5 | Very low | 147 Ų | 147 | 119 Ų | 119 | 79% | 0.786 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.3 | -0.8 | 178.8 | -86.3 | -20.5 | 0 | 0 | 0 | 115.2 | D885 | D885-D887 PolarHBondContact O-N 3.32Š|
| 888 | D | 30.9 | Very low | 46.3 | Very low | 142 Ų | 142 | 119.1 Ų | 119.1 | 76% | 0.759 | 64% | 0.636 | S | S | * | * | trans | -129.5 | 29.8 | -167 | -90.2 | -21.4 | 0 | 0 | 0 | 117 | D885 | D885-D888 PolarHBondContact O-N 2.86Š| ||
| 889 | D | 30.9 | Very low | 45.7 | Very low | 160 Ų | 160 | 126.3 Ų | 126.3 | 86% | 0.856 | 67% | 0.666 | S | S | * | * | trans | -99.9 | 67.1 | 173.5 | -79.9 | -27.5 | 0 | 0 | 0 | 113.1 | ||||
| 890 | D | 31.5 | Very low | 45.8 | Very low | 150 Ų | 150 | 126 Ų | 126 | 80% | 0.802 | 67% | 0.666 | S | S | * | * | trans | -115.2 | 108.7 | 171.7 | -88.3 | -23.3 | 0 | 0 | 0 | 113.1 | ||||
| 891 | E | 32.5 | Very low | 45.9 | Very low | 163 Ų | 163 | 125 Ų | 125 | 76% | 0.762 | 65% | 0.654 | S | S | * | * | trans | 63.4 | 87.8 | 141.4 | -57.3 | -170.8 | 167.9 | 0 | 0 | 119.3 | E893 | E891-E893 PolarHBondContact O-N 2.64Š| ||
| 892 | A | 30.9 | Very low | 45.8 | Very low | 92 Ų | 92 | 119.4 Ų | 119.4 | 76% | 0.76 | 63% | 0.63 | S | S | * | * | trans | -79.1 | 93.9 | 150.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | D894 | A892-D894 VanDerWaalsContact C-N 3.32Å; A892-D894 PolarHBondContact O-N 2.92Å | ||
| 893 | E | 31 | Very low | 46.3 | Very low | 159 Ų | 159 | 115.5 Ų | 115.5 | 74% | 0.743 | 62% | 0.619 | S | S | * | * | trans | -69.9 | 87.3 | 165.6 | -77.6 | -170.7 | 147.2 | 0 | 0 | 109.4 | E891 D895 | E891-E893 PolarHBondContact O-N 2.64Å; E893-D895 PolarHBondContact O-N 3.13Å | ||
| 894 | D | 34.1 | Very low | 47.1 | Very low | 135 Ų | 135 | 116.4 Ų | 116.4 | 72% | 0.722 | 63% | 0.627 | S | S | * | * | trans | -73.7 | 94 | 169.3 | -76.6 | -34.2 | 0 | 0 | 0 | 110.1 | A892 D896 | A892-D894 VanDerWaalsContact C-N 3.32Å; A892-D894 PolarHBondContact O-N 2.92Å; D894-D896 PolarHBondContact O-N 3.23Å | ||
| 895 | D | 35.6 | Very low | 48.4 | Very low | 155 Ų | 155 | 115.3 Ų | 115.3 | 83% | 0.829 | 62% | 0.618 | S | S | * | * | trans | -70.4 | 55.4 | 167.4 | -111.4 | -8 | 0 | 0 | 0 | 110.1 | E893 E897 | E893-D895 PolarHBondContact O-N 3.13Å; D895-E897 VanDerWaalsContact C-N 3.29Å; D895-E897 PolarHBondContact O-N 3.06Å | ||
| 896 | D | 42.1 | Very low | 50.2 | Low | 134 Ų | 134 | 113.9 Ų | 113.9 | 72% | 0.717 | 61% | 0.61 | S | S | * | * | trans | -73.7 | 88.9 | 168.3 | -84.8 | -20.6 | 0 | 0 | 0 | 108.5 | D894 T898 | D894-D896 PolarHBondContact O-N 3.23Å; D896-T898 VanDerWaalsContact C-N 3.25Å; D896-T898 PolarHBondContact O-N 3.46Å | ||
| 897 | E | 47.9 | Very low | 52.2 | Low | 176 Ų | 176 | 111.3 Ų | 111.3 | 82% | 0.822 | 59% | 0.589 | S | S | * | * | trans | -52.7 | 95.3 | 162.6 | -77.1 | -169.1 | 159.5 | 0 | 0 | 107.9 | D895 E899 | D895-E897 VanDerWaalsContact C-N 3.29Å; D895-E897 PolarHBondContact O-N 3.06Å; E897-E899 WeakPolarHBondContact O-CA 3.47Å; E897-E899 PolarHBondContact O-N 3.38Å | ||
| 898 | T | 53.3 | Low | 53.9 | Low | 51 Ų | 51 | 108.2 Ų | 108.2 | 31% | 0.313 | 57% | 0.572 | S | S | . | * | trans | -39 | 102.3 | -177.9 | -34.3 | 0 | 0 | 0 | 0 | 109.9 | S402 D896 E900 | S402-T898 WeakPolarHBondContact OG-CG2 3.37Å; D896-T898 VanDerWaalsContact C-N 3.25Å; D896-T898 PolarHBondContact O-N 3.46Å; T898-E900 PolarHBondContact O-N 2.9Å | ||
| 899 | E | 62.1 | Low | 55.7 | Low | 182 Ų | 182 | 105.5 Ų | 105.5 | 85% | 0.85 | 56% | 0.558 | S | S | * | * | trans | -65.7 | 102.9 | -168.2 | -72 | -160.9 | 155.2 | 0 | 0 | 109.3 | E897 L901 | E897-E899 WeakPolarHBondContact O-CA 3.47Å; E897-E899 PolarHBondContact O-N 3.38Å; E899-L901 PolarHBondContact O-N 2.82Å | ||
| 900 | E | 74.1 | Confident | 57.3 | Low | 62 Ų | 62 | 104.8 Ų | 104.8 | 29% | 0.29 | 55% | 0.549 | S | S | . | . | trans | -70.6 | 115.7 | 178.8 | -69.8 | -175.9 | 170.3 | 0 | 0 | 109.9 | K405 K446 T898 G902 | K405-E900 WeakPolarHBondContact CE-O 3.48Å; K405-E900 HydrophobicContact CG-CB 3.97Å; K405-E900 WeakPolarHBondContact CG-OE2 3.19Å; K405-E900 PolarHBondContact NZ-O 3.15Å; K446-E900 IonicContact NZ-OE1 2.85Å; K446-E900 PolarHBondContact NZ-OE1 3.14Å; T898-E900 PolarHBondContact O-N 2.9Å; E900-G902 PolarHBondContact O-N 3.21Å | ||
| 901 | L | 73.3 | Confident | 58.6 | Low | 17 Ų | 17 | 103.8 Ų | 103.8 | 9% | 0.089 | 54% | 0.543 | C | S | . | . | B | Isolated β-bridge | trans | -58.4 | 132.6 | 178.9 | -57 | 169 | 0 | 0 | 0 | 111.7 | K403 E899 E905 D907 | K403-L901 HydrophobicContact CB-CD1 4.12Å; K403-L901 WeakPolarHBondContact O-CB 3.5Å; K403-L901 PolarHBondContact O-N 3.07Å; E899-L901 PolarHBondContact O-N 2.82Å; L901-E905 HydrophobicContact CB-CB 4.18Å; L901-E905 HydrophobicContact CD2-CB 4.12Å; L901-D907 HydrophobicContact CD1-CB 3.76Å |
| 902 | G | 68 | Low | 59.8 | Low | 9 Ų | 9 | 96.9 Ų | 96.9 | 9% | 0.093 | 52% | 0.516 | C | S | . | . | trans | -55.3 | 168.2 | 162.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | R404 E900 D904 E905 | R404-G902 PolarHBondContact NH1-O 3.44Å; E900-G902 PolarHBondContact O-N 3.21Å; G902-D904 PolarHBondContact O-N 2.68Å; G902-E905 PolarHBondContact N-OE2 2.96Å; G902-E905 PolarHBondContact O-N 3.22Å | ||
| 903 | S | 71 | Confident | 61.3 | Low | 55 Ų | 55 | 94.9 Ų | 94.9 | 39% | 0.385 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -14 | -179.4 | -170.1 | 0 | 0 | 0 | 0 | 113.3 | ||
| 904 | D | 72.3 | Confident | 62.8 | Low | 136 Ų | 136 | 93.4 Ų | 93.4 | 73% | 0.727 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.6 | 5.6 | -174.2 | 49.8 | -34.3 | 0 | 0 | 0 | 112.9 | G902 | G902-D904 PolarHBondContact O-N 2.68Š|
| 905 | E | 77.4 | Confident | 64.3 | Low | 98 Ų | 98 | 93.9 Ų | 93.9 | 46% | 0.458 | 48% | 0.477 | S | S | . | . | trans | -100.5 | 138.8 | 177.5 | -70.6 | 164.1 | -164.6 | 0 | 0 | 111 | R404 L901 G902 | R404-E905 PolarHBondContact NH1-O 2.93Å; R404-E905 PolarHBondContact NH2-O 3.44Å; L901-E905 HydrophobicContact CB-CB 4.18Å; L901-E905 HydrophobicContact CD2-CB 4.12Å; G902-E905 PolarHBondContact N-OE2 2.96Å; G902-E905 PolarHBondContact O-N 3.22Å | ||
| 906 | D | 81.6 | Confident | 65.5 | Low | 72 Ų | 72 | 90.8 Ų | 90.8 | 39% | 0.385 | 46% | 0.46 | S | S | . | . | trans | -100.1 | 146.3 | 173.9 | -66.4 | -42.5 | 0 | 0 | 0 | 108.8 | H335 A336 | H335-D906 VanDerWaalsContact CA-OD1 3.27Å; H335-D906 WeakPolarHBondContact CA-OD1 3.33Å; A336-D906 VanDerWaalsContact CB-OD1 3.3Å; A336-D906 WeakPolarHBondContact CB-OD1 3.19Å; A336-D906 PolarHBondContact N-OD1 3.29Å | ||
| 907 | D | 79.1 | Confident | 66.5 | Low | 43 Ų | 43 | 88.3 Ų | 88.3 | 23% | 0.23 | 44% | 0.444 | C | S | . | . | trans | -85.1 | 114 | 173.5 | -164.8 | 44.5 | 0 | 0 | 0 | 110.2 | N280 S334 K403 L901 | N280-D907 PolarHBondContact ND2-O 3.01Å; N280-D907 VanDerWaalsContact ND2-O 3.15Å; S334-D907 PolarHBondContact O-N 3.38Å; K403-D907 WeakPolarHBondContact CE-OD2 3.18Å; K403-D907 IonicContact NZ-OD2 3.14Å; K403-D907 PolarHBondContact NZ-OD2 3.46Å; L901-D907 HydrophobicContact CD1-CB 3.76Å | ||
| 908 | I | 71.5 | Confident | 67.4 | Low | 81 Ų | 81 | 83.8 Ų | 83.8 | 42% | 0.415 | 42% | 0.424 | S | S | . | . | trans | -115.2 | 117.6 | 177 | -59.3 | 175.3 | 0 | 0 | 0 | 107 | E910 | I908-E910 VanDerWaalsContact C-N 3.29Å; I908-E910 HydrophobicContact CG2-CG 4Å; I908-E910 PolarHBondContact O-N 2.89Å | ||
| 909 | D | 69.8 | Low | 67.7 | Low | 86 Ų | 86 | 84.5 Ų | 84.5 | 46% | 0.46 | 43% | 0.426 | S | S | . | . | trans | -79.5 | 79.2 | 175.6 | -175.9 | 5.6 | 0 | 0 | 0 | 108.7 | N280 D911 G912 Q913 | N280-D909 PolarHBondContact OD1-N 3.22Å; D909-D911 VanDerWaalsContact C-N 3.31Å; D909-D911 PolarHBondContact O-N 3.28Å; D909-G912 PolarHBondContact O-N 2.89Å; D909-G912 WeakPolarHBondContact OD1-CA 2.96Å; D909-G912 PolarHBondContact OD1-N 3.42Å; D909-Q913 PolarHBondContact O-N 2.98Å | ||
| 910 | E | 63.6 | Low | 67.6 | Low | 145 Ų | 145 | 78.9 Ų | 78.9 | 68% | 0.678 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -60.8 | -41.4 | -178.2 | -66.5 | -172 | 172.4 | 0 | 0 | 111.1 | I908 Q913 E914 | I908-E910 VanDerWaalsContact C-N 3.29Å; I908-E910 HydrophobicContact CG2-CG 4Å; I908-E910 PolarHBondContact O-N 2.89Å; E910-Q913 WeakPolarHBondContact O-CB 3.18Å; E910-Q913 PolarHBondContact O-N 3.47Å; E910-E914 PolarHBondContact O-N 2.63Å |
| 911 | D | 60.2 | Low | 66.7 | Low | 128 Ų | 128 | 82.6 Ų | 82.6 | 68% | 0.684 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -65.3 | -45.2 | 178.4 | -59.6 | -32.6 | 0 | 0 | 0 | 111.6 | D909 Q913 E914 Y915 | D909-D911 VanDerWaalsContact C-N 3.31Å; D909-D911 PolarHBondContact O-N 3.28Å; D911-Q913 VanDerWaalsContact C-N 3.29Å; D911-Q913 PolarHBondContact O-N 2.87Å; D911-E914 PolarHBondContact O-N 3.44Å; D911-Y915 WeakPolarHBondContact O-CB 3.47Å; D911-Y915 PolarHBondContact O-N 3.09Å |
| 912 | G | 58 | Low | 65.7 | Low | 18 Ų | 18 | 87.4 Ų | 87.4 | 19% | 0.186 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -62.7 | -34.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D909 L916 | D909-G912 PolarHBondContact O-N 2.89Å; D909-G912 WeakPolarHBondContact OD1-CA 2.96Å; D909-G912 PolarHBondContact OD1-N 3.42Å; G912-L916 WeakPolarHBondContact O-CB 3.33Å; G912-L916 WeakPolarHBondContact O-CG 3.45Å; G912-L916 PolarHBondContact O-N 3.35Å |
| 913 | Q | 61.4 | Low | 65 | Low | 50 Ų | 50 | 90.6 Ų | 90.6 | 23% | 0.234 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -67.5 | -45.1 | 172.9 | -99.8 | -167.6 | -16.8 | 0 | 0 | 112.4 | G279 D909 E910 D911 Y915 L916 E917 | G279-Q913 VanDerWaalsContact O-CG 3.25Å; G279-Q913 WeakPolarHBondContact O-CG 3.26Å; G279-Q913 PolarHBondContact O-NE2 3.47Å; D909-Q913 PolarHBondContact O-N 2.98Å; E910-Q913 WeakPolarHBondContact O-CB 3.18Å; E910-Q913 PolarHBondContact O-N 3.47Å; D911-Q913 VanDerWaalsContact C-N 3.29Å; D911-Q913 PolarHBondContact O-N 2.87Å; Q913-Y915 VanDerWaalsContact C-N 3.34Å; Q913-L916 PolarHBondContact O-N 3.17Å; Q913-E917 WeakPolarHBondContact O-CG 3.15Å; Q913-E917 PolarHBondContact O-N 2.91Å |
| 914 | E | 61.5 | Low | 63.7 | Low | 129 Ų | 129 | 90.8 Ų | 90.8 | 60% | 0.603 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.6 | -44.6 | 177.4 | -173.6 | 164.1 | -162.6 | 0 | 0 | 110.9 | E910 D911 L916 E917 I918 | E910-E914 PolarHBondContact O-N 2.63Å; D911-E914 PolarHBondContact O-N 3.44Å; E914-L916 PolarHBondContact O-N 3.48Å; E914-E917 WeakPolarHBondContact O-CB 3.48Å; E914-E917 PolarHBondContact O-N 3.03Å; E914-E917 VanDerWaalsContact O-N 3.14Å; E914-I918 HydrophobicContact CG-CD1 4.27Å; E914-I918 WeakPolarHBondContact O-CG1 3.49Å; E914-I918 PolarHBondContact O-N 2.7Å |
| 915 | Y | 66.1 | Low | 62.1 | Low | 145 Ų | 145 | 90.7 Ų | 90.7 | 57% | 0.569 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -60.5 | -44.6 | 174.9 | -176.2 | -109.7 | 0 | 0 | 0 | 112.8 | D911 Q913 E917 I918 L919 | D911-Y915 WeakPolarHBondContact O-CB 3.47Å; D911-Y915 PolarHBondContact O-N 3.09Å; Q913-Y915 VanDerWaalsContact C-N 3.34Å; Y915-E917 VanDerWaalsContact C-N 3.29Å; Y915-E917 PolarHBondContact O-N 3.01Å; Y915-I918 PolarHBondContact O-N 2.8Å; Y915-L919 HydrophobicContact CD1-CD1 3.87Å; Y915-L919 HydrophobicContact CD1-CG 4.47Å; Y915-L919 HydrophobicContact CE1-CD1 3.36Å; Y915-L919 HydrophobicContact CE1-CG 4.08Å; Y915-L919 HydrophobicContact CE2-CG 4.47Å; Y915-L919 PolarHBondContact O-N 2.67Å |
| 916 | L | 61.8 | Low | 60.2 | Low | 89 Ų | 89 | 94 Ų | 94 | 47% | 0.466 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.9 | -33.5 | 175 | -75.7 | 171.6 | 0 | 0 | 0 | 112.6 | G912 Q913 E914 A920 | G912-L916 WeakPolarHBondContact O-CB 3.33Å; G912-L916 WeakPolarHBondContact O-CG 3.45Å; G912-L916 PolarHBondContact O-N 3.35Å; Q913-L916 PolarHBondContact O-N 3.17Å; E914-L916 PolarHBondContact O-N 3.48Å; L916-A920 VanDerWaalsContact O-CB 3.25Å; L916-A920 WeakPolarHBondContact O-CB 3.48Å; L916-A920 PolarHBondContact O-N 3.24Å |
| 917 | E | 63.2 | Low | 58 | Low | 83 Ų | 83 | 93.3 Ų | 93.3 | 39% | 0.388 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.6 | -37.6 | 174.1 | -74.9 | -168.3 | -168.9 | 0 | 0 | 112.4 | K283 Q913 E914 Y915 A920 K921 | K283-E917 WeakPolarHBondContact CE-OE1 3.24Å; K283-E917 IonicContact NZ-OE1 2.61Å; K283-E917 PolarHBondContact NZ-OE1 3.37Å; K283-E917 IonicContact NZ-OE2 2.87Å; K283-E917 PolarHBondContact NZ-OE2 3.38Å; Q913-E917 WeakPolarHBondContact O-CG 3.15Å; Q913-E917 PolarHBondContact O-N 2.91Å; E914-E917 WeakPolarHBondContact O-CB 3.48Å; E914-E917 PolarHBondContact O-N 3.03Å; E914-E917 VanDerWaalsContact O-N 3.14Å; Y915-E917 VanDerWaalsContact C-N 3.29Å; Y915-E917 PolarHBondContact O-N 3.01Å; E917-A920 PolarHBondContact O-N 3.34Å; E917-K921 PolarHBondContact O-N 3Å |
| 918 | I | 65.6 | Low | 55.7 | Low | 80 Ų | 80 | 98.6 Ų | 98.6 | 41% | 0.41 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.2 | -49.8 | 173.9 | -66.5 | 164.5 | 0 | 0 | 0 | 110 | E914 Y915 A920 K921 Q922 | E914-I918 HydrophobicContact CG-CD1 4.27Å; E914-I918 WeakPolarHBondContact O-CG1 3.49Å; E914-I918 PolarHBondContact O-N 2.7Å; Y915-I918 PolarHBondContact O-N 2.8Å; I918-A920 VanDerWaalsContact C-N 3.31Å; I918-A920 PolarHBondContact O-N 3.14Å; I918-K921 WeakPolarHBondContact O-CB 3.4Å; I918-K921 PolarHBondContact O-N 3.05Å; I918-K921 VanDerWaalsContact O-N 3.16Å; I918-Q922 PolarHBondContact O-N 2.83Å |
| 919 | L | 59.8 | Low | 54 | Low | 66 Ų | 66 | 102.1 Ų | 102.1 | 35% | 0.346 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.6 | -39.5 | 176.8 | -74.1 | 176.5 | 0 | 0 | 0 | 112.5 | Y915 K921 Q922 A923 | Y915-L919 HydrophobicContact CD1-CD1 3.87Å; Y915-L919 HydrophobicContact CD1-CG 4.47Å; Y915-L919 HydrophobicContact CE1-CD1 3.36Å; Y915-L919 HydrophobicContact CE1-CG 4.08Å; Y915-L919 HydrophobicContact CE2-CG 4.47Å; Y915-L919 PolarHBondContact O-N 2.67Å; L919-K921 VanDerWaalsContact C-N 3.34Å; L919-Q922 PolarHBondContact O-N 3.33Å; L919-A923 WeakPolarHBondContact O-CB 3.43Å; L919-A923 PolarHBondContact O-N 2.9Å |
| 920 | A | 59.3 | Low | 52.2 | Low | 64 Ų | 64 | 105.9 Ų | 105.9 | 53% | 0.529 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.1 | -32.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L916 E917 I918 G924 | L916-A920 VanDerWaalsContact O-CB 3.25Å; L916-A920 WeakPolarHBondContact O-CB 3.48Å; L916-A920 PolarHBondContact O-N 3.24Å; E917-A920 PolarHBondContact O-N 3.34Å; I918-A920 VanDerWaalsContact C-N 3.31Å; I918-A920 PolarHBondContact O-N 3.14Å; A920-G924 PolarHBondContact O-N 3.35Å |
| 921 | K | 55.8 | Low | 50.6 | Low | 141 Ų | 141 | 106.4 Ų | 106.4 | 61% | 0.613 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -66.2 | -49.7 | 170.5 | -82.2 | 176.9 | 172.5 | -179.4 | 0 | 111.1 | E917 I918 L919 A923 G924 E925 | E917-K921 PolarHBondContact O-N 3Å; I918-K921 WeakPolarHBondContact O-CB 3.4Å; I918-K921 PolarHBondContact O-N 3.05Å; I918-K921 VanDerWaalsContact O-N 3.16Å; L919-K921 VanDerWaalsContact C-N 3.34Å; K921-A923 VanDerWaalsContact C-N 3.28Å; K921-A923 PolarHBondContact O-N 3.31Å; K921-G924 PolarHBondContact O-N 3.14Å; K921-E925 PolarHBondContact O-N 3.22Å; K921-E925 VanDerWaalsContact O-N 3.09Å |
| 922 | Q | 53.1 | Low | 49.1 | Very low | 118 Ų | 118 | 109.1 Ų | 109.1 | 55% | 0.551 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -59 | -37.9 | 178.1 | -73.5 | 178.3 | -18.9 | 0 | 0 | 112.5 | I918 L919 G924 | I918-Q922 PolarHBondContact O-N 2.83Å; L919-Q922 PolarHBondContact O-N 3.33Å; Q922-G924 VanDerWaalsContact C-N 3.34Å |
| 923 | A | 53.3 | Low | 47.9 | Very low | 76 Ų | 76 | 116.1 Ų | 116.1 | 63% | 0.628 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -77.4 | -16.4 | 177 | 0 | 0 | 0 | 0 | 0 | 114.3 | L919 K921 | L919-A923 WeakPolarHBondContact O-CB 3.43Å; L919-A923 PolarHBondContact O-N 2.9Å; K921-A923 VanDerWaalsContact C-N 3.28Å; K921-A923 PolarHBondContact O-N 3.31Å |
| 924 | G | 43.8 | Very low | 46.5 | Very low | 58 Ų | 58 | 122.9 Ų | 122.9 | 60% | 0.598 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -98.7 | -16.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | A920 K921 Q922 D926 | A920-G924 PolarHBondContact O-N 3.35Å; K921-G924 PolarHBondContact O-N 3.14Å; Q922-G924 VanDerWaalsContact C-N 3.34Å; G924-D926 PolarHBondContact O-N 3.15Å; G924-D926 VanDerWaalsContact O-N 3.12Å |
| 925 | E | 37.6 | Very low | 45.3 | Very low | 135 Ų | 135 | 121.6 Ų | 121.6 | 63% | 0.631 | 64% | 0.638 | S | S | * | * | trans | -86.7 | 59.4 | 176.9 | -74.1 | 172.9 | -177.4 | 0 | 0 | 111.1 | K921 G927 | K921-E925 PolarHBondContact O-N 3.22Å; K921-E925 VanDerWaalsContact O-N 3.09Å; E925-G927 PolarHBondContact O-N 3.38Å | ||
| 926 | D | 38.3 | Very low | 44 | Very low | 167 Ų | 167 | 119.2 Ų | 119.2 | 89% | 0.893 | 64% | 0.635 | S | S | * | * | trans | -72.4 | 85.3 | 153.7 | -81.1 | -33.4 | 0 | 0 | 0 | 107.6 | G924 | G924-D926 PolarHBondContact O-N 3.15Å; G924-D926 VanDerWaalsContact O-N 3.12Å | ||
| 927 | G | 34.9 | Very low | 43 | Very low | 57 Ų | 57 | 116.8 Ų | 116.8 | 59% | 0.588 | 63% | 0.627 | S | S | * | * | S | Bend | trans | 128.3 | 36.3 | 149.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | E925 | E925-G927 PolarHBondContact O-N 3.38Š|
| 928 | D | 30.9 | Very low | 42.3 | Very low | 155 Ų | 155 | 120.2 Ų | 120.2 | 83% | 0.829 | 64% | 0.643 | S | S | * | * | trans | -138.7 | 88.9 | 158.4 | -82 | -38.1 | 0 | 0 | 0 | 109.9 | E930 | D928-E930 VanDerWaalsContact C-N 3.29Å; D928-E930 PolarHBondContact O-N 2.85Å | ||
| 929 | D | 35.9 | Very low | 41.8 | Very low | 155 Ų | 155 | 122 Ų | 122 | 83% | 0.829 | 65% | 0.65 | S | S | * | * | trans | -67.4 | 66.9 | 177.8 | -64.1 | -42.7 | 0 | 0 | 0 | 112.7 | ||||
| 930 | E | 32.5 | Very low | 42.2 | Very low | 164 Ų | 164 | 120.2 Ų | 120.2 | 77% | 0.766 | 64% | 0.642 | S | S | * | * | trans | -128.6 | -2.6 | 176.9 | -75 | -169.9 | 179.3 | 0 | 0 | 116.9 | D928 | D928-E930 VanDerWaalsContact C-N 3.29Å; D928-E930 PolarHBondContact O-N 2.85Å | ||
| 931 | D | 30.1 | Very low | 43 | Very low | 157 Ų | 157 | 121.7 Ų | 121.7 | 84% | 0.84 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -107.9 | 7.8 | 179.3 | -77.3 | -19.2 | 0 | 0 | 0 | 115.1 | ||
| 932 | W | 29 | Very low | 44.4 | Very low | 184 Ų | 184 | 115.1 Ų | 115.1 | 70% | 0.697 | 63% | 0.626 | S | S | * | * | trans | -100.7 | 15.6 | 178.7 | -66.3 | 88.5 | 0 | 0 | 0 | 114.7 | E934 | W932-E934 VanDerWaalsContact C-N 3.33Å; W932-E934 PolarHBondContact O-N 3.39Å | ||
| 933 | E | 31 | Very low | 45.7 | Very low | 165 Ų | 165 | 111 Ų | 111 | 77% | 0.771 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -1.8 | -177.3 | -73.5 | -166.1 | 172.1 | 0 | 0 | 115.1 | ||
| 934 | E | 32.2 | Very low | 47.1 | Very low | 193 Ų | 193 | 110.5 Ų | 110.5 | 90% | 0.902 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | -15.1 | -180 | -82.5 | -174.9 | 168.7 | 0 | 0 | 115.6 | W932 | W932-E934 VanDerWaalsContact C-N 3.33Å; W932-E934 PolarHBondContact O-N 3.39Å |
| 935 | D | 37 | Very low | 49.3 | Very low | 102 Ų | 102 | 109.3 Ų | 109.3 | 55% | 0.545 | 59% | 0.586 | S | S | . | * | trans | -99 | 6.9 | -177.5 | -70.5 | -24 | 0 | 0 | 0 | 115 | A937 E938 | D935-A937 PolarHBondContact O-N 2.88Å; D935-E938 PolarHBondContact O-N 3.42Å | ||
| 936 | D | 38.1 | Very low | 51.6 | Low | 95 Ų | 95 | 106 Ų | 106 | 51% | 0.508 | 58% | 0.578 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.5 | 13 | -179.3 | -82.7 | -18.9 | 0 | 0 | 0 | 115.7 | ||
| 937 | A | 41.5 | Very low | 54 | Low | 38 Ų | 38 | 98.5 Ų | 98.5 | 31% | 0.314 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | 7.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | C878 D935 | C878-A937 HydrophobicContact CB-CB 4.37Å; D935-A937 PolarHBondContact O-N 2.88Å |
| 938 | E | 48.7 | Very low | 56.5 | Low | 154 Ų | 154 | 98.6 Ų | 98.6 | 72% | 0.72 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -65.1 | 137.8 | 166.9 | -71.2 | -171.7 | 162.2 | 0 | 0 | 110.7 | D935 T940 | D935-E938 PolarHBondContact O-N 3.42Å; E938-T940 PolarHBondContact O-N 3.49Å |
| 939 | E | 55.4 | Low | 59.2 | Low | 118 Ų | 118 | 91.3 Ų | 91.3 | 55% | 0.551 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 128.5 | 172.7 | -67.7 | -176.2 | 170.5 | 0 | 0 | 109 | H879 E943 | H879-E939 IonicContact CE1-OE1 2.89Å; H879-E939 PolarHBondContact CE1-OE1 3.25Å; H879-E939 IonicContact ND1-OE1 2.56Å; H879-E939 PolarHBondContact ND1-OE1 3.29Å; E939-E943 WeakPolarHBondContact CA-OE2 3.47Å; E939-E943 WeakPolarHBondContact CB-OE2 3.47Å |
| 940 | T | 68.9 | Low | 61.6 | Low | 29 Ų | 29 | 86.1 Ų | 86.1 | 18% | 0.178 | 46% | 0.458 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 145.7 | 176.9 | 65.6 | 0 | 0 | 0 | 0 | 108.8 | L829 E938 L942 E943 | L829-T940 HydrophobicContact CB-CG2 4.43Å; E938-T940 PolarHBondContact O-N 3.49Å; T940-L942 PolarHBondContact O-N 3.34Å; T940-E943 WeakPolarHBondContact O-CB 3.34Å; T940-E943 WeakPolarHBondContact O-CG 3.49Å; T940-E943 PolarHBondContact O-N 3.48Å; T940-E943 VanDerWaalsContact OG1-CG 3.31Å; T940-E943 WeakPolarHBondContact OG1-CG 3.41Å |
| 941 | A | 74.6 | Confident | 63.8 | Low | 94 Ų | 94 | 82.5 Ų | 82.5 | 78% | 0.777 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -54.3 | -26.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 942 | L | 84.7 | Confident | 65.7 | Low | 4 Ų | 4 | 81.4 Ų | 81.4 | 2% | 0.021 | 43% | 0.434 | C | S | . | . | G | 310 helix | trans | -80.2 | -8.7 | 178.1 | -64.5 | 172.3 | 0 | 0 | 0 | 114.5 | C736 M781 T940 G944 Y945 | C736-L942 HydrophobicContact CB-CD1 3.76Å; M781-L942 HydrophobicContact CG-CD1 3.91Å; M781-L942 HydrophobicContact SD-CD1 3.72Å; T940-L942 PolarHBondContact O-N 3.34Å; L942-G944 PolarHBondContact O-N 3.21Å; L942-Y945 HydrophobicContact CD2-CD2 4Å; L942-Y945 HydrophobicContact CD2-CE2 3.86Å; L942-Y945 PolarHBondContact O-N 3.01Å |
| 943 | E | 80.4 | Confident | 67.6 | Low | 30 Ų | 30 | 77.5 Ų | 77.5 | 14% | 0.14 | 43% | 0.427 | C | S | . | . | G | 310 helix | trans | -69.4 | -19.4 | 174.8 | -58.3 | -154.6 | 121.2 | 0 | 0 | 112.5 | G830 L831 H832 E939 T940 Y945 | G830-E943 WeakPolarHBondContact CA-OE1 3.45Å; L831-E943 WeakPolarHBondContact CA-OE1 3.3Å; L831-E943 PolarHBondContact N-OE1 2.95Å; H832-E943 WeakPolarHBondContact CB-OE1 3.23Å; H832-E943 PolarHBondContact N-OE1 3.39Å; E939-E943 WeakPolarHBondContact CA-OE2 3.47Å; E939-E943 WeakPolarHBondContact CB-OE2 3.47Å; T940-E943 WeakPolarHBondContact O-CB 3.34Å; T940-E943 WeakPolarHBondContact O-CG 3.49Å; T940-E943 PolarHBondContact O-N 3.48Å; T940-E943 VanDerWaalsContact OG1-CG 3.31Å; T940-E943 WeakPolarHBondContact OG1-CG 3.41Å; E943-Y945 PolarHBondContact O-N 3.05Å; E943-Y945 VanDerWaalsContact O-N 3.14Å |
| 944 | G | 82.9 | Confident | 69.5 | Low | 66 Ų | 66 | 71.5 Ų | 71.5 | 68% | 0.68 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -58.3 | -22.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L942 S946 | L942-G944 PolarHBondContact O-N 3.21Å; G944-S946 VanDerWaalsContact C-N 3.33Å; G944-S946 PolarHBondContact O-N 2.93Å; G944-S946 VanDerWaalsContact O-N 3.1Å |
| 945 | Y | 89.9 | Confident | 71.4 | Confident | 33 Ų | 33 | 67.4 Ų | 67.4 | 13% | 0.129 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -87 | 70.7 | 175.1 | -59.5 | -68.8 | 0 | 0 | 0 | 111.8 | M694 P695 H698 H737 K740 L942 E943 | M694-Y945 HydrophobicContact CB-CE1 4.36Å; M694-Y945 HydrophobicContact CE-CD1 3.9Å; M694-Y945 HydrophobicContact CE-CD2 4.33Å; M694-Y945 HydrophobicContact CE-CE1 4.15Å; M694-Y945 HydrophobicContact CE-CG 3.99Å; M694-Y945 HydrophobicContact CG-CD1 4.2Å; M694-Y945 HydrophobicContact CG-CE1 3.51Å; M694-Y945 HydrophobicContact CG-CE2 4.07Å; M694-Y945 VanDerWaalsContact CG-CZ 3.43Å; M694-Y945 WeakPolarHBondContact CG-OH 3.43Å; P695-Y945 HydrophobicContact CG-CE1 4.22Å; H698-Y945 HydrophobicContact CB-CD1 4.03Å; H698-Y945 AromaticContact CD2-CD1 3.91Å; H698-Y945 AromaticContact CG-CD1 3.97Å; H737-Y945 AromaticContact CD2-CE2 3.7Å; H737-Y945 AromaticContact CD2-CZ 3.92Å; H737-Y945 PolarHBondContact CD2-OH 3.37Å; H737-Y945 AromaticContact NE2-CE2 3.8Å; K740-Y945 HydrophobicContact CG-CD2 4.32Å; L942-Y945 HydrophobicContact CD2-CD2 4Å; L942-Y945 HydrophobicContact CD2-CE2 3.86Å; L942-Y945 PolarHBondContact O-N 3.01Å; E943-Y945 PolarHBondContact O-N 3.05Å; E943-Y945 VanDerWaalsContact O-N 3.14Å |
| 946 | S | 87.1 | Confident | 73.5 | Confident | 67 Ų | 67 | 63.6 Ų | 63.6 | 47% | 0.469 | 37% | 0.37 | S | S | . | . | trans | -56.4 | 149.9 | -178.9 | 63.6 | 0 | 0 | 0 | 0 | 113.5 | H698 G944 | H698-S946 PolarHBondContact CE1-O 3.39Å; H698-S946 PolarHBondContact NE2-O 3.43Å; G944-S946 VanDerWaalsContact C-N 3.33Å; G944-S946 PolarHBondContact O-N 2.93Å; G944-S946 VanDerWaalsContact O-N 3.1Å | ||
| 947 | T | 89.1 | Confident | 75.9 | Confident | 8 Ų | 8 | 60 Ų | 60 | 5% | 0.049 | 35% | 0.351 | C | S | . | . | trans | -126.2 | 170.2 | 176.4 | 72.1 | 0 | 0 | 0 | 0 | 110.5 | V744 L747 H832 I949 D950 | V744-T947 HydrophobicContact CB-CG2 4.42Å; V744-T947 HydrophobicContact CG2-CG2 3.84Å; L747-T947 HydrophobicContact CD1-CG2 4.09Å; H832-T947 PolarHBondContact CE1-OG1 2.93Å; T947-I949 PolarHBondContact O-N 3.3Å; T947-I949 WeakPolarHBondContact OG1-CG1 3.38Å; T947-I949 PolarHBondContact OG1-N 3.46Å; T947-D950 WeakPolarHBondContact CB-OD2 3.49Å; T947-D950 PolarHBondContact N-OD2 3.04Å; T947-D950 PolarHBondContact O-N 2.86Å; T947-D950 PolarHBondContact OG1-OD2 2.94Å | ||
| 948 | I | 87 | Confident | 78.4 | Confident | 60 Ų | 60 | 58.2 Ų | 58.2 | 31% | 0.308 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -27.3 | 175.1 | 52 | 162.5 | 0 | 0 | 0 | 113.7 | L747 D950 N954 | L747-I948 WeakPolarHBondContact O-CD1 3.49Å; I948-D950 VanDerWaalsContact C-N 3.27Å; I948-N954 WeakPolarHBondContact O-CB 3.46Å; I948-N954 PolarHBondContact O-ND2 3.33Å |
| 949 | I | 86.9 | Confident | 80.5 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -16.2 | 179.9 | 59 | 148.6 | 0 | 0 | 0 | 112.5 | L747 Y791 K835 M836 L839 T947 V956 | L747-I949 HydrophobicContact CD1-CD1 4.4Å; L747-I949 HydrophobicContact CD1-CG1 4.3Å; Y791-I949 HydrophobicContact CE1-CG2 4.36Å; K835-I949 HydrophobicContact CD-CD1 4.46Å; K835-I949 VanDerWaalsContact CE-O 3.26Å; K835-I949 WeakPolarHBondContact CE-O 3.47Å; K835-I949 PolarHBondContact NZ-O 3.48Å; M836-I949 HydrophobicContact CG-CD1 3.45Å; M836-I949 VanDerWaalsContact CG-CD1 3.45Å; M836-I949 HydrophobicContact SD-CD1 3.25Å; M836-I949 WeakPolarHBondContact SD-CD1 3.33Å; M836-I949 HydrophobicContact SD-CG1 4.34Å; L839-I949 HydrophobicContact CD1-CD1 4.41Å; L839-I949 HydrophobicContact CD1-CG2 4.46Å; T947-I949 PolarHBondContact O-N 3.3Å; T947-I949 WeakPolarHBondContact OG1-CG1 3.38Å; T947-I949 PolarHBondContact OG1-N 3.46Å; I949-V956 HydrophobicContact CG2-CG1 4.41Å |
| 950 | D | 86.1 | Confident | 82.2 | Confident | 46 Ų | 46 | 46.9 Ų | 46.9 | 25% | 0.246 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -21.5 | -178.9 | -51.4 | -49 | 0 | 0 | 0 | 111.4 | H832 T947 I948 E952 | H832-D950 IonicContact CE1-OD1 2.89Å; H832-D950 IonicContact CE1-OD2 3.9Å; H832-D950 PolarHBondContact CE1-OD2 3.31Å; H832-D950 IonicContact CG-OD1 3.17Å; H832-D950 IonicContact ND1-OD1 2.72Å; H832-D950 PolarHBondContact ND1-OD1 2.99Å; H832-D950 IonicContact ND1-OD2 3.9Å; H832-D950 PolarHBondContact ND1-OD2 3.31Å; T947-D950 WeakPolarHBondContact CB-OD2 3.49Å; T947-D950 PolarHBondContact N-OD2 3.04Å; T947-D950 PolarHBondContact O-N 2.86Å; T947-D950 PolarHBondContact OG1-OD2 2.94Å; I948-D950 VanDerWaalsContact C-N 3.27Å; D950-E952 PolarHBondContact O-N 3.13Å |
| 951 | D | 78.6 | Confident | 83.4 | Confident | 88 Ų | 88 | 47.7 Ų | 47.7 | 47% | 0.471 | 29% | 0.286 | S | S | . | . | trans | -56.3 | 120.6 | 174.8 | -176.6 | -3.6 | 0 | 0 | 0 | 111.8 | D953 N954 | D951-D953 PolarHBondContact O-N 2.94Å; D951-D953 PolarHBondContact OD1-N 3.24Å; D951-N954 HydrophobicContact CB-CB 4.25Å; D951-N954 VanDerWaalsContact O-CB 3.31Å; D951-N954 WeakPolarHBondContact O-CB 3.42Å; D951-N954 PolarHBondContact O-N 3.11Å | ||
| 952 | E | 70.8 | Confident | 84.4 | Confident | 133 Ų | 133 | 43.4 Ų | 43.4 | 62% | 0.621 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -29.2 | 177.4 | -72.1 | -139.9 | 127.6 | 0 | 0 | 113.2 | D950 N954 K1009 | D950-E952 PolarHBondContact O-N 3.13Å; E952-N954 VanDerWaalsContact C-N 3.31Å; E952-K1009 IonicContact OE2-NZ 3.75Å |
| 953 | D | 68.2 | Low | 84.8 | Confident | 103 Ų | 103 | 44.2 Ų | 44.2 | 55% | 0.551 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -5.5 | -179.2 | -79.7 | -16.7 | 0 | 0 | 0 | 112.9 | D951 K1013 | D951-D953 PolarHBondContact O-N 2.94Å; D951-D953 PolarHBondContact OD1-N 3.24Å; D953-K1013 IonicContact OD1-NZ 3.62Å; D953-K1013 PolarHBondContact OD1-NZ 3.4Å; D953-K1013 IonicContact OD2-NZ 2.76Å; D953-K1013 PolarHBondContact OD2-NZ 3.16Å |
| 954 | N | 71.5 | Confident | 85.5 | Confident | 39 Ų | 39 | 44.7 Ų | 44.7 | 21% | 0.209 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -76.2 | 129.6 | 174.9 | -166.9 | -28.3 | 0 | 0 | 0 | 110.9 | I948 D951 E952 V956 | I948-N954 WeakPolarHBondContact O-CB 3.46Å; I948-N954 PolarHBondContact O-ND2 3.33Å; D951-N954 HydrophobicContact CB-CB 4.25Å; D951-N954 VanDerWaalsContact O-CB 3.31Å; D951-N954 WeakPolarHBondContact O-CB 3.42Å; D951-N954 PolarHBondContact O-N 3.11Å; E952-N954 VanDerWaalsContact C-N 3.31Å; N954-V956 PolarHBondContact O-N 3.13Å; N954-V956 WeakPolarHBondContact OD1-CG2 3.45Å; N954-V956 PolarHBondContact OD1-N 3.4Å |
| 955 | P | 72.4 | Confident | 85.9 | Confident | 107 Ų | 107 | 42.7 Ų | 42.7 | 70% | 0.695 | 24% | 0.236 | S | C | * | . | trans | -64.9 | 3.1 | 176.4 | 27.6 | -38.5 | 0 | 0 | 0 | 115.6 | D957 | P955-D957 PolarHBondContact O-N 3.46Š| ||
| 956 | V | 81.5 | Confident | 86.1 | Confident | 22 Ų | 22 | 42.6 Ų | 42.6 | 13% | 0.133 | 24% | 0.236 | C | C | . | . | trans | -78.6 | 97.5 | 179.5 | 175.9 | 0 | 0 | 0 | 0 | 110.3 | K835 L839 I949 N954 I961 | K835-V956 PolarHBondContact NZ-O 2.84Å; L839-V956 HydrophobicContact CD1-CG1 3.78Å; L839-V956 HydrophobicContact CD2-CG1 4.06Å; I949-V956 HydrophobicContact CG2-CG1 4.41Å; N954-V956 PolarHBondContact O-N 3.13Å; N954-V956 WeakPolarHBondContact OD1-CG2 3.45Å; N954-V956 PolarHBondContact OD1-N 3.4Å; V956-I961 HydrophobicContact CG1-CD1 3.9Å | ||
| 957 | D | 88.4 | Confident | 86.3 | Confident | 19 Ų | 19 | 43.9 Ų | 43.9 | 10% | 0.102 | 24% | 0.235 | C | C | . | . | trans | -111.4 | 114.5 | 172.9 | 178.6 | -49.7 | 0 | 0 | 0 | 110.2 | P955 Y959 Q960 I961 R1002 | P955-D957 PolarHBondContact O-N 3.46Å; D957-Y959 VanDerWaalsContact C-N 3.33Å; D957-Y959 PolarHBondContact O-N 3.26Å; D957-Y959 WeakPolarHBondContact OD1-CA 3.37Å; D957-Y959 WeakPolarHBondContact OD1-CB 3.46Å; D957-Y959 PolarHBondContact OD1-N 2.74Å; D957-Q960 HydrophobicContact CB-CB 4.02Å; D957-Q960 HydrophobicContact CB-CG 4.05Å; D957-Q960 VanDerWaalsContact CG-NE2 3.33Å; D957-Q960 PolarHBondContact O-N 3.4Å; D957-Q960 WeakPolarHBondContact OD1-CG 3.32Å; D957-Q960 PolarHBondContact OD1-N 2.79Å; D957-Q960 PolarHBondContact OD2-NE2 3.49Å; D957-I961 WeakPolarHBondContact O-CB 3.29Å; D957-I961 VanDerWaalsContact O-CG1 3.23Å; D957-I961 WeakPolarHBondContact O-CG1 3.31Å; D957-I961 PolarHBondContact O-N 3.47Å; D957-R1002 WeakPolarHBondContact OD2-CB 3.22Å; D957-R1002 IonicContact OD2-NE 3.93Å | ||
| 958 | E | 92.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.5 | -31.8 | -175 | 67.2 | -69 | 157.6 | 0 | 0 | 113.5 | K835 V838 L839 F869 L872 Y876 F962 R1002 | K835-E958 WeakPolarHBondContact CE-OE2 3.48Å; K835-E958 HydrophobicContact CG-CB 4.26Å; K835-E958 HydrophobicContact CG-CG 4.22Å; K835-E958 IonicContact NZ-OE2 3.71Å; V838-E958 HydrophobicContact CB-CB 4.35Å; V838-E958 HydrophobicContact CG1-CB 3.85Å; V838-E958 HydrophobicContact CG1-CG 4.37Å; L839-E958 HydrophobicContact CD2-CB 4.11Å; L839-E958 HydrophobicContact CG-CB 4.35Å; F869-E958 HydrophobicContact CE1-CG 4.25Å; L872-E958 HydrophobicContact CD1-CG 3.91Å; Y876-E958 WeakPolarHBondContact CE2-OE1 3.09Å; Y876-E958 PolarHBondContact OH-OE1 3.29Å; E958-F962 VanDerWaalsContact O-CB 3.23Å; E958-F962 WeakPolarHBondContact O-CB 3.49Å; E958-F962 PolarHBondContact O-N 3.25Å; E958-R1002 IonicContact OE1-CZ 3.89Å; E958-R1002 IonicContact OE1-NH1 3.6Å; E958-R1002 PolarHBondContact OE1-NH1 2.96Å; E958-R1002 IonicContact OE1-NH2 3.92Å |
| 959 | Y | 93.1 | Very high | 86.7 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -71.1 | -43.8 | 175.2 | -73.2 | -100.1 | 0 | 0 | 0 | 110.9 | F869 L872 Y876 D957 K963 I995 L998 A999 | F869-Y959 HydrophobicContact CB-CE1 4.24Å; F869-Y959 AromaticContact CD1-CD1 3.66Å; F869-Y959 HydrophobicContact CD1-CD1 3.66Å; F869-Y959 HydrophobicContact CD1-CD2 4.12Å; F869-Y959 AromaticContact CD1-CE1 3.26Å; F869-Y959 HydrophobicContact CD1-CE1 3.26Å; F869-Y959 AromaticContact CD1-CE2 3.77Å; F869-Y959 HydrophobicContact CD1-CE2 3.77Å; F869-Y959 HydrophobicContact CD1-CG 4.07Å; F869-Y959 AromaticContact CD1-CZ 3.35Å; F869-Y959 AromaticContact CE1-CD1 3.64Å; F869-Y959 HydrophobicContact CE1-CD1 3.64Å; F869-Y959 AromaticContact CE1-CD2 3.84Å; F869-Y959 HydrophobicContact CE1-CD2 3.84Å; F869-Y959 AromaticContact CE1-CE1 3.76Å; F869-Y959 HydrophobicContact CE1-CE1 3.76Å; F869-Y959 AromaticContact CE1-CE2 3.95Å; F869-Y959 HydrophobicContact CE1-CE2 3.95Å; F869-Y959 AromaticContact CE1-CG 3.69Å; F869-Y959 HydrophobicContact CE1-CG 3.69Å; F869-Y959 AromaticContact CE1-CZ 3.94Å; F869-Y959 HydrophobicContact CG-CD1 4.48Å; F869-Y959 AromaticContact CG-CE1 3.97Å; F869-Y959 HydrophobicContact CG-CE1 3.97Å; F869-Y959 HydrophobicContact CZ-CD1 4.47Å; F869-Y959 PolarHBondContact O-OH 2.93Å; L872-Y959 HydrophobicContact CB-CE2 4.45Å; L872-Y959 HydrophobicContact CD1-CE2 4.47Å; Y876-Y959 HydrophobicContact CE2-CE2 4.34Å; D957-Y959 VanDerWaalsContact C-N 3.33Å; D957-Y959 PolarHBondContact O-N 3.26Å; D957-Y959 WeakPolarHBondContact OD1-CA 3.37Å; D957-Y959 WeakPolarHBondContact OD1-CB 3.46Å; D957-Y959 PolarHBondContact OD1-N 2.74Å; Y959-K963 WeakPolarHBondContact O-CB 3.41Å; Y959-K963 PolarHBondContact O-N 3.39Å; Y959-I995 HydrophobicContact CD1-CG2 3.93Å; Y959-I995 HydrophobicContact CE1-CG2 4.3Å; Y959-L998 HydrophobicContact CD1-CB 4.37Å; Y959-L998 HydrophobicContact CD1-CD2 4.14Å; Y959-L998 HydrophobicContact CD1-CG 4.26Å; Y959-L998 HydrophobicContact CE1-CB 4.48Å; Y959-L998 HydrophobicContact CE1-CD2 3.54Å; Y959-L998 HydrophobicContact CE1-CG 4.16Å; Y959-A999 WeakPolarHBondContact O-CB 3.28Å |
| 960 | Q | 92.6 | Very high | 86.9 | Confident | 33 Ų | 33 | 48.3 Ų | 48.3 | 15% | 0.154 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.5 | -41.9 | 179 | -68.6 | -174.6 | 61.5 | 0 | 0 | 112 | D957 K963 A964 R1003 | D957-Q960 HydrophobicContact CB-CB 4.02Å; D957-Q960 HydrophobicContact CB-CG 4.05Å; D957-Q960 VanDerWaalsContact CG-NE2 3.33Å; D957-Q960 PolarHBondContact O-N 3.4Å; D957-Q960 WeakPolarHBondContact OD1-CG 3.32Å; D957-Q960 PolarHBondContact OD1-N 2.79Å; D957-Q960 PolarHBondContact OD2-NE2 3.49Å; Q960-K963 PolarHBondContact O-N 3.28Å; Q960-A964 WeakPolarHBondContact O-CB 3.3Å; Q960-A964 PolarHBondContact O-N 3.04Å; Q960-R1003 HydrophobicContact CG-CB 4.24Å |
| 961 | I | 93 | Very high | 87.1 | Confident | 45 Ų | 45 | 52.4 Ų | 52.4 | 23% | 0.231 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.3 | -50.3 | 176.6 | -71.8 | 167 | 0 | 0 | 0 | 110 | L839 C842 V956 D957 K963 A964 I965 | L839-I961 HydrophobicContact CD2-CB 4.47Å; L839-I961 HydrophobicContact CD2-CD1 3.61Å; L839-I961 HydrophobicContact CD2-CG2 4.34Å; C842-I961 HydrophobicContact CB-CG2 4.16Å; V956-I961 HydrophobicContact CG1-CD1 3.9Å; D957-I961 WeakPolarHBondContact O-CB 3.29Å; D957-I961 VanDerWaalsContact O-CG1 3.23Å; D957-I961 WeakPolarHBondContact O-CG1 3.31Å; D957-I961 PolarHBondContact O-N 3.47Å; I961-K963 VanDerWaalsContact C-N 3.34Å; I961-K963 PolarHBondContact O-N 2.97Å; I961-A964 PolarHBondContact O-N 3.35Å; I961-I965 HydrophobicContact CG2-CD1 3.68Å; I961-I965 PolarHBondContact O-N 3.06Å |
| 962 | F | 95.8 | Very high | 87.7 | Confident | 4 Ų | 4 | 54.8 Ų | 54.8 | 2% | 0.018 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -54.7 | -49.9 | 176.6 | 169.6 | -106.3 | 0 | 0 | 0 | 111.7 | C842 L862 F865 F869 E958 A964 I965 F966 L992 I995 | C842-F962 VanDerWaalsContact SG-CA 3.53Å; L862-F962 HydrophobicContact CD2-CE2 4.38Å; L862-F962 HydrophobicContact CD2-CZ 4.34Å; F865-F962 HydrophobicContact CB-CE2 4.27Å; F865-F962 AromaticContact CD1-CD2 3.68Å; F865-F962 HydrophobicContact CD1-CD2 3.68Å; F865-F962 AromaticContact CD1-CE2 3.79Å; F865-F962 HydrophobicContact CD1-CE2 3.79Å; F865-F962 HydrophobicContact CD2-CD2 4.29Å; F865-F962 AromaticContact CD2-CE2 3.68Å; F865-F962 HydrophobicContact CD2-CE2 3.68Å; F865-F962 AromaticContact CE1-CD2 3.52Å; F865-F962 HydrophobicContact CE1-CD2 3.52Å; F865-F962 AromaticContact CE1-CE2 3.92Å; F865-F962 HydrophobicContact CE1-CE2 3.92Å; F865-F962 HydrophobicContact CE1-CG 4.47Å; F865-F962 HydrophobicContact CE2-CD2 4.14Å; F865-F962 AromaticContact CE2-CE2 3.81Å; F865-F962 HydrophobicContact CE2-CE2 3.81Å; F865-F962 HydrophobicContact CG-CD2 4.06Å; F865-F962 AromaticContact CG-CE2 3.66Å; F865-F962 HydrophobicContact CG-CE2 3.66Å; F865-F962 HydrophobicContact CG-CZ 4.37Å; F865-F962 AromaticContact CZ-CD2 3.74Å; F865-F962 HydrophobicContact CZ-CD2 3.74Å; F865-F962 AromaticContact CZ-CE2 3.9Å; F865-F962 HydrophobicContact CZ-CE2 3.9Å; F869-F962 HydrophobicContact CE2-CB 4.08Å; F869-F962 AromaticContact CE2-CD1 3.61Å; F869-F962 HydrophobicContact CE2-CD1 3.61Å; F869-F962 HydrophobicContact CE2-CD2 4.12Å; F869-F962 HydrophobicContact CE2-CE1 4.04Å; F869-F962 AromaticContact CE2-CG 3.65Å; F869-F962 HydrophobicContact CE2-CG 3.65Å; F869-F962 HydrophobicContact CE2-CZ 4.47Å; F869-F962 HydrophobicContact CZ-CB 3.64Å; F869-F962 AromaticContact CZ-CD1 3.9Å; F869-F962 HydrophobicContact CZ-CD1 3.9Å; F869-F962 AromaticContact CZ-CG 3.76Å; F869-F962 HydrophobicContact CZ-CG 3.76Å; E958-F962 VanDerWaalsContact O-CB 3.23Å; E958-F962 WeakPolarHBondContact O-CB 3.49Å; E958-F962 PolarHBondContact O-N 3.25Å; F962-A964 PolarHBondContact O-N 3.4Å; F962-I965 PolarHBondContact O-N 3.29Å; F962-F966 HydrophobicContact CE2-CB 4.49Å; F962-F966 HydrophobicContact CZ-CB 4.47Å; F962-F966 HydrophobicContact CZ-CG 4.34Å; F962-F966 VanDerWaalsContact O-CB 3.23Å; F962-F966 WeakPolarHBondContact O-CB 3.42Å; F962-F966 PolarHBondContact O-N 3.04Å; F962-L992 HydrophobicContact CE1-CD2 4.18Å; F962-L992 HydrophobicContact CZ-CD2 3.86Å; F962-I995 HydrophobicContact CD1-CG2 3.96Å; F962-I995 HydrophobicContact CE1-CG2 4.02Å |
| 963 | K | 93.6 | Very high | 88.7 | Confident | 21 Ų | 21 | 51.2 Ų | 51.2 | 9% | 0.091 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.1 | -46 | 180 | -179.3 | 174.3 | -176.9 | 170.5 | 0 | 112.4 | Y959 Q960 I961 F966 Q967 A996 A999 D1000 | Y959-K963 WeakPolarHBondContact O-CB 3.41Å; Y959-K963 PolarHBondContact O-N 3.39Å; Q960-K963 PolarHBondContact O-N 3.28Å; I961-K963 VanDerWaalsContact C-N 3.34Å; I961-K963 PolarHBondContact O-N 2.97Å; K963-F966 PolarHBondContact O-N 3.35Å; K963-Q967 WeakPolarHBondContact O-CB 3.47Å; K963-Q967 VanDerWaalsContact O-CG 3.27Å; K963-Q967 WeakPolarHBondContact O-CG 3.46Å; K963-Q967 PolarHBondContact O-N 3.06Å; K963-A996 HydrophobicContact CD-CB 4.37Å; K963-A996 PolarHBondContact NZ-O 3.15Å; K963-A999 HydrophobicContact CB-CB 4.19Å; K963-A999 HydrophobicContact CD-CB 3.86Å; K963-D1000 IonicContact NZ-OD1 2.81Å; K963-D1000 PolarHBondContact NZ-OD1 3.31Å; K963-D1000 IonicContact NZ-OD2 2.79Å; K963-D1000 PolarHBondContact NZ-OD2 2.85Å |
| 964 | A | 93.4 | Very high | 89.7 | Confident | 41 Ų | 41 | 50.1 Ų | 50.1 | 34% | 0.339 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.9 | -44.5 | -179 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q960 I961 F962 T968 | Q960-A964 WeakPolarHBondContact O-CB 3.3Å; Q960-A964 PolarHBondContact O-N 3.04Å; I961-A964 PolarHBondContact O-N 3.35Å; F962-A964 PolarHBondContact O-N 3.4Å; A964-T968 WeakPolarHBondContact O-CB 3.42Å; A964-T968 PolarHBondContact O-N 3.22Å; A964-T968 PolarHBondContact O-OG1 3.11Å |
| 965 | I | 93.2 | Very high | 90.6 | Very high | 24 Ų | 24 | 53.6 Ų | 53.6 | 12% | 0.123 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.3 | -46.6 | 177.7 | -73 | 167.8 | 0 | 0 | 0 | 110.5 | C842 I845 D846 I961 F962 Q967 T968 I969 | C842-I965 HydrophobicContact CB-CD1 3.72Å; I845-I965 HydrophobicContact CD1-CG2 3.95Å; I845-I965 HydrophobicContact CG1-CG2 3.87Å; D846-I965 HydrophobicContact CB-CD1 4.36Å; D846-I965 HydrophobicContact CB-CG1 4.41Å; D846-I965 HydrophobicContact CB-CG2 3.79Å; I961-I965 HydrophobicContact CG2-CD1 3.68Å; I961-I965 PolarHBondContact O-N 3.06Å; F962-I965 PolarHBondContact O-N 3.29Å; I965-Q967 VanDerWaalsContact C-N 3.32Å; I965-Q967 PolarHBondContact O-N 3.44Å; I965-T968 CarbonylContact O-C 3.57Å; I965-T968 WeakPolarHBondContact O-CA 3.39Å; I965-T968 WeakPolarHBondContact O-CB 3.33Å; I965-T968 PolarHBondContact O-N 3.33Å; I965-I969 HydrophobicContact CG2-CD1 3.69Å; I965-I969 HydrophobicContact CG2-CG1 4.32Å; I965-I969 WeakPolarHBondContact O-CG1 3.49Å; I965-I969 PolarHBondContact O-N 3.49Å |
| 966 | F | 92.5 | Very high | 91.6 | Very high | 30 Ų | 30 | 48.8 Ų | 48.8 | 13% | 0.132 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.1 | -39.8 | -178.3 | -166 | -117.4 | 0 | 0 | 0 | 112.4 | L862 F962 K963 I969 Q970 Y977 T981 | L862-F966 HydrophobicContact CD1-CE2 3.96Å; L862-F966 HydrophobicContact CD1-CZ 3.94Å; L862-F966 HydrophobicContact CD2-CD2 4.36Å; L862-F966 HydrophobicContact CD2-CE2 3.76Å; L862-F966 HydrophobicContact CD2-CZ 4.25Å; L862-F966 HydrophobicContact CG-CE2 4.47Å; F962-F966 HydrophobicContact CE2-CB 4.49Å; F962-F966 HydrophobicContact CZ-CB 4.47Å; F962-F966 HydrophobicContact CZ-CG 4.34Å; F962-F966 VanDerWaalsContact O-CB 3.23Å; F962-F966 WeakPolarHBondContact O-CB 3.42Å; F962-F966 PolarHBondContact O-N 3.04Å; K963-F966 PolarHBondContact O-N 3.35Å; F966-I969 PolarHBondContact O-N 3.35Å; F966-Q970 PolarHBondContact O-N 3.32Å; F966-Q970 VanDerWaalsContact O-N 3.09Å; F966-Y977 HydrophobicContact CD1-CE2 4.26Å; F966-Y977 HydrophobicContact CD2-CE2 4.49Å; F966-Y977 AromaticContact CE1-CE2 3.67Å; F966-Y977 HydrophobicContact CE1-CE2 3.67Å; F966-Y977 HydrophobicContact CE2-CD2 4.21Å; F966-Y977 AromaticContact CE2-CE2 3.92Å; F966-Y977 HydrophobicContact CE2-CE2 3.92Å; F966-Y977 HydrophobicContact CZ-CD2 4.2Å; F966-Y977 AromaticContact CZ-CE2 3.48Å; F966-Y977 HydrophobicContact CZ-CE2 3.48Å; F966-Y977 VanDerWaalsContact CZ-CE2 3.48Å; F966-T981 HydrophobicContact CZ-CG2 3.89Å |
| 967 | Q | 92.1 | Very high | 92.1 | Very high | 95 Ų | 95 | 50.4 Ų | 50.4 | 44% | 0.444 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.5 | -38.4 | 171.9 | -72.1 | 178.6 | -11 | 0 | 0 | 112.4 | K963 I965 Q970 N971 | K963-Q967 WeakPolarHBondContact O-CB 3.47Å; K963-Q967 VanDerWaalsContact O-CG 3.27Å; K963-Q967 WeakPolarHBondContact O-CG 3.46Å; K963-Q967 PolarHBondContact O-N 3.06Å; I965-Q967 VanDerWaalsContact C-N 3.32Å; I965-Q967 PolarHBondContact O-N 3.44Å; Q967-Q970 WeakPolarHBondContact O-CB 3.46Å; Q967-Q970 PolarHBondContact O-N 3.47Å; Q967-N971 PolarHBondContact O-N 3.04Å; Q967-N971 PolarHBondContact O-ND2 2.91Å |
| 968 | T | 92.7 | Very high | 92.2 | Very high | 67 Ų | 67 | 55.5 Ų | 55.5 | 41% | 0.411 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.9 | -44 | 176.5 | -60.8 | 0 | 0 | 0 | 0 | 110.9 | A964 I965 Q970 N971 R972 | A964-T968 WeakPolarHBondContact O-CB 3.42Å; A964-T968 PolarHBondContact O-N 3.22Å; A964-T968 PolarHBondContact O-OG1 3.11Å; I965-T968 CarbonylContact O-C 3.57Å; I965-T968 WeakPolarHBondContact O-CA 3.39Å; I965-T968 WeakPolarHBondContact O-CB 3.33Å; I965-T968 PolarHBondContact O-N 3.33Å; T968-Q970 PolarHBondContact O-N 2.99Å; T968-N971 PolarHBondContact O-N 3.25Å; T968-R972 WeakPolarHBondContact O-CB 3.26Å; T968-R972 PolarHBondContact O-N 3.49Å |
| 969 | I | 91.5 | Very high | 92.2 | Very high | 6 Ų | 6 | 57 Ų | 57 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 176.5 | -68.9 | 167.3 | 0 | 0 | 0 | 111.2 | I845 I965 F966 N971 R972 N973 W976 L980 | I845-I969 HydrophobicContact CB-CD1 3.9Å; I845-I969 HydrophobicContact CD1-CD1 3.72Å; I845-I969 HydrophobicContact CG1-CD1 3.68Å; I845-I969 WeakPolarHBondContact O-CD1 3.47Å; I965-I969 HydrophobicContact CG2-CD1 3.69Å; I965-I969 HydrophobicContact CG2-CG1 4.32Å; I965-I969 WeakPolarHBondContact O-CG1 3.49Å; I965-I969 PolarHBondContact O-N 3.49Å; F966-I969 PolarHBondContact O-N 3.35Å; I969-N971 PolarHBondContact O-N 3.35Å; I969-R972 PolarHBondContact O-N 3.42Å; I969-N973 CarbonylContact O-C 3.58Å; I969-N973 VanDerWaalsContact O-C 3.3Å; I969-N973 PolarHBondContact O-N 2.93Å; I969-W976 HydrophobicContact CG2-CG 4.38Å; I969-L980 HydrophobicContact CG2-CD1 4.41Å |
| 970 | Q | 90.9 | Very high | 92.1 | Very high | 89 Ų | 89 | 57 Ų | 57 | 42% | 0.416 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -55 | -39 | 176.4 | -170.8 | 178.4 | 22.5 | 0 | 0 | 112.3 | F966 Q967 T968 Y977 | F966-Q970 PolarHBondContact O-N 3.32Å; F966-Q970 VanDerWaalsContact O-N 3.09Å; Q967-Q970 WeakPolarHBondContact O-CB 3.46Å; Q967-Q970 PolarHBondContact O-N 3.47Å; T968-Q970 PolarHBondContact O-N 2.99Å; Q970-Y977 HydrophobicContact CB-CD2 3.6Å; Q970-Y977 HydrophobicContact CB-CE2 3.69Å; Q970-Y977 HydrophobicContact CB-CG 4.05Å; Q970-Y977 HydrophobicContact CG-CD1 4.1Å; Q970-Y977 HydrophobicContact CG-CD2 3.97Å; Q970-Y977 HydrophobicContact CG-CE1 3.98Å; Q970-Y977 HydrophobicContact CG-CE2 3.84Å; Q970-Y977 HydrophobicContact CG-CG 4.09Å |
| 971 | N | 90.8 | Very high | 92.1 | Very high | 132 Ų | 132 | 56.8 Ų | 56.8 | 71% | 0.706 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -84.8 | -41.2 | -178.9 | -66.6 | -41.9 | 0 | 0 | 0 | 112.9 | Q967 T968 I969 | Q967-N971 PolarHBondContact O-N 3.04Å; Q967-N971 PolarHBondContact O-ND2 2.91Å; T968-N971 PolarHBondContact O-N 3.25Å; I969-N971 PolarHBondContact O-N 3.35Å |
| 972 | R | 91.9 | Very high | 91.9 | Very high | 138 Ų | 138 | 61.9 Ų | 61.9 | 52% | 0.521 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -80.6 | -41.5 | -172.5 | -176.2 | -175.4 | 178 | 178.8 | 6.6 | 112.4 | E848 T968 I969 | E848-R972 IonicContact OE1-CZ 2.64Å; E848-R972 IonicContact OE1-NH1 3.73Å; E848-R972 IonicContact OE1-NH2 2.63Å; E848-R972 PolarHBondContact OE1-NH2 2.89Å; T968-R972 WeakPolarHBondContact O-CB 3.26Å; T968-R972 PolarHBondContact O-N 3.49Å; I969-R972 PolarHBondContact O-N 3.42Å |
| 973 | N | 90.4 | Very high | 91.3 | Very high | 58 Ų | 58 | 64.4 Ų | 64.4 | 31% | 0.31 | 35% | 0.348 | S | S | . | . | trans | -139.7 | 77.8 | -175 | -168.6 | -12.8 | 0 | 0 | 0 | 111.4 | I969 V975 W976 Y977 | I969-N973 CarbonylContact O-C 3.58Å; I969-N973 VanDerWaalsContact O-C 3.3Å; I969-N973 PolarHBondContact O-N 2.93Å; N973-V975 PolarHBondContact O-N 3.22Å; N973-V975 VanDerWaalsContact O-N 3.15Å; N973-W976 HydrophobicContact CB-CB 3.99Å; N973-W976 WeakPolarHBondContact ND2-CB 3.34Å; N973-W976 PolarHBondContact O-N 3.13Å; N973-W976 VanDerWaalsContact O-N 3.09Å; N973-W976 PolarHBondContact OD1-N 3.07Å; N973-W976 VanDerWaalsContact OD1-N 3.11Å; N973-Y977 PolarHBondContact O-N 3.12Å | ||
| 974 | P | 90.3 | Very high | 91.2 | Very high | 80 Ų | 80 | 64.1 Ų | 64.1 | 52% | 0.519 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.1 | -28.1 | -178.5 | -25.4 | 34.5 | 0 | 0 | 0 | 114.1 | Q978 | P974-Q978 WeakPolarHBondContact O-CB 3.41Å; P974-Q978 PolarHBondContact O-N 3.06Å |
| 975 | V | 91 | Very high | 91.1 | Very high | 112 Ų | 112 | 66 Ų | 66 | 68% | 0.679 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -68.5 | -45.5 | 177.1 | 178.9 | 0 | 0 | 0 | 0 | 110.3 | N973 Q978 A979 | N973-V975 PolarHBondContact O-N 3.22Å; N973-V975 VanDerWaalsContact O-N 3.15Å; V975-Q978 PolarHBondContact O-N 3.27Å; V975-A979 PolarHBondContact O-N 3.4Å |
| 976 | W | 92.6 | Very high | 90.9 | Very high | 7 Ų | 7 | 73.2 Ų | 73.2 | 3% | 0.027 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66.1 | -42.8 | 175.8 | -179 | -133.8 | 0 | 0 | 0 | 111.9 | I845 I850 L854 I861 I969 N973 Q978 A979 L980 | I845-W976 PolarHBondContact O-NE1 3.4Å; I850-W976 HydrophobicContact CD1-CB 3.93Å; I850-W976 HydrophobicContact CD1-CD2 3.48Å; I850-W976 VanDerWaalsContact CD1-CD2 3.48Å; I850-W976 HydrophobicContact CD1-CE3 3.94Å; I850-W976 HydrophobicContact CD1-CG 3.45Å; I850-W976 VanDerWaalsContact CD1-CG 3.45Å; I850-W976 HydrophobicContact CG1-CD2 4.43Å; I850-W976 HydrophobicContact CG2-CE3 4.46Å; I850-W976 HydrophobicContact CG2-CH2 4.07Å; I850-W976 HydrophobicContact CG2-CZ2 4.23Å; I850-W976 HydrophobicContact CG2-CZ3 4.18Å; L854-W976 HydrophobicContact CD2-CH2 4.33Å; L854-W976 HydrophobicContact CD2-CZ2 3.99Å; L854-W976 HydrophobicContact CG-CH2 3.97Å; L854-W976 HydrophobicContact CG-CZ2 4.1Å; I861-W976 HydrophobicContact CD1-CH2 4.23Å; I861-W976 HydrophobicContact CD1-CZ2 4.28Å; I969-W976 HydrophobicContact CG2-CG 4.38Å; N973-W976 HydrophobicContact CB-CB 3.99Å; N973-W976 WeakPolarHBondContact ND2-CB 3.34Å; N973-W976 PolarHBondContact O-N 3.13Å; N973-W976 VanDerWaalsContact O-N 3.09Å; N973-W976 PolarHBondContact OD1-N 3.07Å; N973-W976 VanDerWaalsContact OD1-N 3.11Å; W976-Q978 VanDerWaalsContact C-N 3.26Å; W976-Q978 PolarHBondContact O-N 3.17Å; W976-A979 HydrophobicContact CE3-CB 3.84Å; W976-A979 HydrophobicContact CZ3-CB 4.08Å; W976-A979 WeakPolarHBondContact O-CB 3.41Å; W976-A979 PolarHBondContact O-N 3.49Å; W976-L980 HydrophobicContact CD2-CD1 4.36Å; W976-L980 HydrophobicContact CD2-CG 4.17Å; W976-L980 HydrophobicContact CG-CD1 4.49Å; W976-L980 HydrophobicContact CH2-CD2 3.9Å; W976-L980 HydrophobicContact CH2-CG 4.39Å; W976-L980 HydrophobicContact CZ2-CD1 4.29Å; W976-L980 HydrophobicContact CZ2-CD2 3.61Å; W976-L980 HydrophobicContact CZ2-CG 4.01Å; W976-L980 WeakPolarHBondContact O-CG 3.39Å; W976-L980 PolarHBondContact O-N 2.97Å |
| 977 | Y | 91.8 | Very high | 90.9 | Very high | 56 Ų | 56 | 78.2 Ų | 78.2 | 22% | 0.22 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -55.2 | -42.8 | 172.5 | -177.5 | -96.8 | 0 | 0 | 0 | 112.1 | F966 Q970 N973 L980 T981 | F966-Y977 HydrophobicContact CD1-CE2 4.26Å; F966-Y977 HydrophobicContact CD2-CE2 4.49Å; F966-Y977 AromaticContact CE1-CE2 3.67Å; F966-Y977 HydrophobicContact CE1-CE2 3.67Å; F966-Y977 HydrophobicContact CE2-CD2 4.21Å; F966-Y977 AromaticContact CE2-CE2 3.92Å; F966-Y977 HydrophobicContact CE2-CE2 3.92Å; F966-Y977 HydrophobicContact CZ-CD2 4.2Å; F966-Y977 AromaticContact CZ-CE2 3.48Å; F966-Y977 HydrophobicContact CZ-CE2 3.48Å; F966-Y977 VanDerWaalsContact CZ-CE2 3.48Å; Q970-Y977 HydrophobicContact CB-CD2 3.6Å; Q970-Y977 HydrophobicContact CB-CE2 3.69Å; Q970-Y977 HydrophobicContact CB-CG 4.05Å; Q970-Y977 HydrophobicContact CG-CD1 4.1Å; Q970-Y977 HydrophobicContact CG-CD2 3.97Å; Q970-Y977 HydrophobicContact CG-CE1 3.98Å; Q970-Y977 HydrophobicContact CG-CE2 3.84Å; Q970-Y977 HydrophobicContact CG-CG 4.09Å; N973-Y977 PolarHBondContact O-N 3.12Å; Y977-L980 PolarHBondContact O-N 3.42Å; Y977-T981 HydrophobicContact CD1-CG2 4.46Å; Y977-T981 HydrophobicContact CE1-CG2 4.06Å; Y977-T981 HydrophobicContact CE2-CG2 4.18Å; Y977-T981 WeakPolarHBondContact O-CB 3.29Å; Y977-T981 WeakPolarHBondContact O-CG2 3.2Å; Y977-T981 PolarHBondContact O-N 3.15Å; Y977-T981 VanDerWaalsContact O-N 3.08Å; Y977-T981 PolarHBondContact O-OG1 2.74Å |
| 978 | Q | 91.6 | Very high | 90.9 | Very high | 126 Ų | 126 | 75.5 Ų | 75.5 | 59% | 0.589 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -66.3 | -38.7 | 176.5 | -171.3 | 177.8 | 3.9 | 0 | 0 | 111.9 | P974 V975 W976 T981 H982 | P974-Q978 WeakPolarHBondContact O-CB 3.41Å; P974-Q978 PolarHBondContact O-N 3.06Å; V975-Q978 PolarHBondContact O-N 3.27Å; W976-Q978 VanDerWaalsContact C-N 3.26Å; W976-Q978 PolarHBondContact O-N 3.17Å; Q978-T981 PolarHBondContact O-N 2.71Å; Q978-T981 PolarHBondContact O-OG1 3.39Å; Q978-H982 VanDerWaalsContact O-CB 3.3Å; Q978-H982 WeakPolarHBondContact O-CB 3.4Å; Q978-H982 PolarHBondContact O-N 2.82Å |
| 979 | A | 91.3 | Very high | 90.8 | Very high | 32 Ų | 32 | 78.9 Ų | 78.9 | 26% | 0.264 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V975 W976 T981 | V975-A979 PolarHBondContact O-N 3.4Å; W976-A979 HydrophobicContact CE3-CB 3.84Å; W976-A979 HydrophobicContact CZ3-CB 4.08Å; W976-A979 WeakPolarHBondContact O-CB 3.41Å; W976-A979 PolarHBondContact O-N 3.49Å; A979-T981 VanDerWaalsContact C-N 3.33Å; A979-T981 PolarHBondContact O-N 3.27Å |
| 980 | L | 92.2 | Very high | 90.8 | Very high | 1 Ų | 1 | 84.8 Ų | 84.8 | 1% | 0.005 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62.7 | -37.8 | 176.5 | -68 | 173.4 | 0 | 0 | 0 | 112.4 | I861 L862 I969 W976 Y977 | I861-L980 HydrophobicContact CB-CD2 4.12Å; I861-L980 HydrophobicContact CD1-CD2 3.75Å; I861-L980 HydrophobicContact CG1-CD2 4.49Å; I861-L980 HydrophobicContact CG2-CD2 4.28Å; L862-L980 HydrophobicContact CD1-CB 4.05Å; L862-L980 VanDerWaalsContact CD1-O 3.27Å; L862-L980 WeakPolarHBondContact CD1-O 3.37Å; L862-L980 HydrophobicContact CG-CB 4.32Å; I969-L980 HydrophobicContact CG2-CD1 4.41Å; W976-L980 HydrophobicContact CD2-CD1 4.36Å; W976-L980 HydrophobicContact CD2-CG 4.17Å; W976-L980 HydrophobicContact CG-CD1 4.49Å; W976-L980 HydrophobicContact CH2-CD2 3.9Å; W976-L980 HydrophobicContact CH2-CG 4.39Å; W976-L980 HydrophobicContact CZ2-CD1 4.29Å; W976-L980 HydrophobicContact CZ2-CD2 3.61Å; W976-L980 HydrophobicContact CZ2-CG 4.01Å; W976-L980 WeakPolarHBondContact O-CG 3.39Å; W976-L980 PolarHBondContact O-N 2.97Å; Y977-L980 PolarHBondContact O-N 3.42Å |
| 981 | T | 91.9 | Very high | 90.8 | Very high | 28 Ų | 28 | 82.8 Ų | 82.8 | 17% | 0.172 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -94.8 | -13.3 | -171.2 | 54.8 | 0 | 0 | 0 | 0 | 114.9 | L862 F966 Y977 Q978 A979 G983 L984 | L862-T981 HydrophobicContact CD1-CG2 3.87Å; F966-T981 HydrophobicContact CZ-CG2 3.89Å; Y977-T981 HydrophobicContact CD1-CG2 4.46Å; Y977-T981 HydrophobicContact CE1-CG2 4.06Å; Y977-T981 HydrophobicContact CE2-CG2 4.18Å; Y977-T981 WeakPolarHBondContact O-CB 3.29Å; Y977-T981 WeakPolarHBondContact O-CG2 3.2Å; Y977-T981 PolarHBondContact O-N 3.15Å; Y977-T981 VanDerWaalsContact O-N 3.08Å; Y977-T981 PolarHBondContact O-OG1 2.74Å; Q978-T981 PolarHBondContact O-N 2.71Å; Q978-T981 PolarHBondContact O-OG1 3.39Å; A979-T981 VanDerWaalsContact C-N 3.33Å; A979-T981 PolarHBondContact O-N 3.27Å; T981-G983 VanDerWaalsContact C-N 3.3Å; T981-G983 PolarHBondContact O-N 3.35Å; T981-L984 HydrophobicContact CG2-CD1 4.34Å; T981-L984 PolarHBondContact O-N 2.87Å |
| 982 | H | 87.5 | Confident | 90.9 | Very high | 152 Ų | 152 | 77.3 Ų | 77.3 | 70% | 0.704 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -35.6 | -171.9 | -176 | 60.5 | 0 | 0 | 0 | 113.9 | Q978 | Q978-H982 VanDerWaalsContact O-CB 3.3Å; Q978-H982 WeakPolarHBondContact O-CB 3.4Å; Q978-H982 PolarHBondContact O-N 2.82Å |
| 983 | G | 84.9 | Confident | 90.8 | Very high | 58 Ų | 58 | 77 Ų | 77 | 60% | 0.598 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -4.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | T981 | T981-G983 VanDerWaalsContact C-N 3.3Å; T981-G983 PolarHBondContact O-N 3.35Å |
| 984 | L | 89.9 | Confident | 90.9 | Very high | 15 Ų | 15 | 78.3 Ų | 78.3 | 8% | 0.079 | 40% | 0.399 | C | S | . | . | trans | -75.7 | 128.1 | -171 | -64.3 | 175.9 | 0 | 0 | 0 | 113.2 | L862 T981 Q988 R989 L992 | L862-L984 HydrophobicContact CB-CD2 3.81Å; L862-L984 HydrophobicContact CD1-CD1 3.64Å; L862-L984 HydrophobicContact CD1-CD2 4.4Å; L862-L984 HydrophobicContact CD1-CG 4.27Å; T981-L984 HydrophobicContact CG2-CD1 4.34Å; T981-L984 PolarHBondContact O-N 2.87Å; L984-Q988 HydrophobicContact CB-CB 4.47Å; L984-Q988 HydrophobicContact CD2-CB 3.98Å; L984-R989 HydrophobicContact CB-CG 3.99Å; L984-R989 HydrophobicContact CD1-CG 4.37Å; L984-R989 PolarHBondContact O-NE 3.42Å; L984-R989 PolarHBondContact O-NH2 2.93Å; L984-L992 HydrophobicContact CD1-CD1 3.46Å; L984-L992 VanDerWaalsContact CD1-CD1 3.46Å; L984-L992 HydrophobicContact CD2-CD1 4.39Å | ||
| 985 | N | 91.8 | Very high | 91 | Very high | 80 Ų | 80 | 74.9 Ų | 74.9 | 43% | 0.428 | 38% | 0.376 | S | S | . | . | trans | -74.4 | 173 | 170.1 | 73.6 | 29.3 | 0 | 0 | 0 | 111.6 | E987 Q988 R989 | N985-E987 VanDerWaalsContact C-N 3.32Å; N985-E987 PolarHBondContact O-N 3.28Å; N985-E987 WeakPolarHBondContact OD1-CB 3.36Å; N985-E987 PolarHBondContact OD1-N 3.28Å; N985-E987 VanDerWaalsContact OD1-N 3.14Å; N985-Q988 VanDerWaalsContact N-OE1 3.09Å; N985-Q988 WeakPolarHBondContact OD1-CB 3.31Å; N985-Q988 VanDerWaalsContact OD1-CG 3.26Å; N985-Q988 WeakPolarHBondContact OD1-CG 3.43Å; N985-Q988 PolarHBondContact OD1-N 3Å; N985-R989 WeakPolarHBondContact O-CG 3.35Å; N985-R989 PolarHBondContact O-N 2.68Å; N985-R989 VanDerWaalsContact O-N 3.17Å | ||
| 986 | E | 89.6 | Confident | 90.9 | Very high | 176 Ų | 176 | 71 Ų | 71 | 82% | 0.822 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -67.1 | -33 | -174.7 | -159.4 | 170.5 | -162.5 | 0 | 0 | 112.8 | K990 | E986-K990 PolarHBondContact O-N 3.46Å |
| 987 | E | 91.7 | Very high | 90.7 | Very high | 134 Ų | 134 | 74 Ų | 74 | 63% | 0.626 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -68.8 | -47.8 | 177.1 | 179.8 | 169.4 | -158.7 | 0 | 0 | 112.1 | N985 R989 K990 Q991 | N985-E987 VanDerWaalsContact C-N 3.32Å; N985-E987 PolarHBondContact O-N 3.28Å; N985-E987 WeakPolarHBondContact OD1-CB 3.36Å; N985-E987 PolarHBondContact OD1-N 3.28Å; N985-E987 VanDerWaalsContact OD1-N 3.14Å; E987-R989 VanDerWaalsContact C-N 3.28Å; E987-R989 PolarHBondContact O-N 2.81Å; E987-K990 WeakPolarHBondContact O-CA 3.31Å; E987-K990 WeakPolarHBondContact O-CB 3.44Å; E987-K990 PolarHBondContact O-N 3.27Å; E987-Q991 PolarHBondContact O-N 3.14Å |
| 988 | Q | 92 | Very high | 90.6 | Very high | 39 Ų | 39 | 73.5 Ų | 73.5 | 18% | 0.182 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.9 | -36.9 | 176.4 | -72.7 | 172.4 | -31 | 0 | 0 | 112 | I866 L984 N985 K990 Q991 L992 | I866-Q988 HydrophobicContact CD1-CB 3.54Å; I866-Q988 HydrophobicContact CD1-CG 3.79Å; L984-Q988 HydrophobicContact CB-CB 4.47Å; L984-Q988 HydrophobicContact CD2-CB 3.98Å; N985-Q988 VanDerWaalsContact N-OE1 3.09Å; N985-Q988 WeakPolarHBondContact OD1-CB 3.31Å; N985-Q988 VanDerWaalsContact OD1-CG 3.26Å; N985-Q988 WeakPolarHBondContact OD1-CG 3.43Å; N985-Q988 PolarHBondContact OD1-N 3Å; Q988-K990 VanDerWaalsContact C-N 3.3Å; Q988-K990 PolarHBondContact O-N 3.06Å; Q988-Q991 PolarHBondContact O-N 2.88Å; Q988-L992 WeakPolarHBondContact O-CG 3.41Å; Q988-L992 PolarHBondContact O-N 3.26Å |
| 989 | R | 90.6 | Very high | 90.5 | Very high | 137 Ų | 137 | 67.5 Ų | 67.5 | 52% | 0.517 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.8 | -36.5 | 173.7 | -71.4 | 174.4 | -167.9 | -155.1 | -0.4 | 112.2 | L984 N985 E987 Q993 | L984-R989 HydrophobicContact CB-CG 3.99Å; L984-R989 HydrophobicContact CD1-CG 4.37Å; L984-R989 PolarHBondContact O-NE 3.42Å; L984-R989 PolarHBondContact O-NH2 2.93Å; N985-R989 WeakPolarHBondContact O-CG 3.35Å; N985-R989 PolarHBondContact O-N 2.68Å; N985-R989 VanDerWaalsContact O-N 3.17Å; E987-R989 VanDerWaalsContact C-N 3.28Å; E987-R989 PolarHBondContact O-N 2.81Å; R989-Q993 WeakPolarHBondContact O-CG 3.42Å; R989-Q993 PolarHBondContact O-N 3.15Å |
| 990 | K | 91.7 | Very high | 90.4 | Very high | 131 Ų | 131 | 69.8 Ų | 69.8 | 57% | 0.57 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -69.2 | -46.3 | 175.7 | -173.6 | -173.6 | 172.6 | -166.7 | 0 | 110.8 | E986 E987 Q988 L992 Q993 D994 | E986-K990 PolarHBondContact O-N 3.46Å; E987-K990 WeakPolarHBondContact O-CA 3.31Å; E987-K990 WeakPolarHBondContact O-CB 3.44Å; E987-K990 PolarHBondContact O-N 3.27Å; Q988-K990 VanDerWaalsContact C-N 3.3Å; Q988-K990 PolarHBondContact O-N 3.06Å; K990-L992 VanDerWaalsContact C-N 3.29Å; K990-L992 PolarHBondContact O-N 2.95Å; K990-Q993 WeakPolarHBondContact O-CA 3.48Å; K990-Q993 WeakPolarHBondContact O-CB 3.27Å; K990-Q993 PolarHBondContact O-N 3.01Å; K990-D994 PolarHBondContact O-N 3.03Å |
| 991 | Q | 92.4 | Very high | 90.1 | Very high | 46 Ų | 46 | 75.3 Ų | 75.3 | 22% | 0.215 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -57.2 | -41.6 | 175.9 | -70.7 | 171.4 | -48.4 | 0 | 0 | 111.9 | I866 N870 E987 Q988 Q993 D994 I995 | I866-Q991 HydrophobicContact CG1-CB 4.41Å; I866-Q991 HydrophobicContact CG2-CB 4.02Å; I866-Q991 HydrophobicContact CG2-CG 4.37Å; N870-Q991 PolarHBondContact ND2-NE2 3.49Å; E987-Q991 PolarHBondContact O-N 3.14Å; Q988-Q991 PolarHBondContact O-N 2.88Å; Q991-Q993 VanDerWaalsContact C-N 3.33Å; Q991-Q993 PolarHBondContact O-N 3.21Å; Q991-D994 WeakPolarHBondContact O-CB 3.35Å; Q991-D994 PolarHBondContact O-N 3.3Å; Q991-I995 WeakPolarHBondContact O-CD1 3.49Å; Q991-I995 VanDerWaalsContact O-CG1 3.25Å; Q991-I995 WeakPolarHBondContact O-CG1 3.46Å; Q991-I995 PolarHBondContact O-N 3.37Å |
| 992 | L | 91.4 | Very high | 89.9 | Confident | 18 Ų | 18 | 77 Ų | 77 | 9% | 0.094 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.4 | -34.6 | 173.9 | -74.3 | 168.5 | 0 | 0 | 0 | 113.6 | L862 I866 F962 L984 Q988 K990 I995 A996 | L862-L992 HydrophobicContact CD1-CD1 4.19Å; L862-L992 HydrophobicContact CD2-CD2 4.46Å; I866-L992 HydrophobicContact CD1-CD1 4.28Å; I866-L992 HydrophobicContact CD1-CD2 4.42Å; I866-L992 HydrophobicContact CD1-CG 3.95Å; I866-L992 HydrophobicContact CG1-CD2 4.01Å; I866-L992 HydrophobicContact CG1-CG 3.99Å; F962-L992 HydrophobicContact CE1-CD2 4.18Å; F962-L992 HydrophobicContact CZ-CD2 3.86Å; L984-L992 HydrophobicContact CD1-CD1 3.46Å; L984-L992 VanDerWaalsContact CD1-CD1 3.46Å; L984-L992 HydrophobicContact CD2-CD1 4.39Å; Q988-L992 WeakPolarHBondContact O-CG 3.41Å; Q988-L992 PolarHBondContact O-N 3.26Å; K990-L992 VanDerWaalsContact C-N 3.29Å; K990-L992 PolarHBondContact O-N 2.95Å; L992-I995 HydrophobicContact CD2-CD1 4.33Å; L992-A996 WeakPolarHBondContact O-CB 3.48Å; L992-A996 PolarHBondContact O-N 3.24Å |
| 993 | Q | 90.5 | Very high | 89.6 | Confident | 130 Ų | 130 | 74.1 Ų | 74.1 | 61% | 0.607 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -68.8 | -38.7 | 173 | -71.5 | 173.1 | 3.3 | 0 | 0 | 111.5 | R989 K990 Q991 A996 T997 | R989-Q993 WeakPolarHBondContact O-CG 3.42Å; R989-Q993 PolarHBondContact O-N 3.15Å; K990-Q993 WeakPolarHBondContact O-CA 3.48Å; K990-Q993 WeakPolarHBondContact O-CB 3.27Å; K990-Q993 PolarHBondContact O-N 3.01Å; Q991-Q993 VanDerWaalsContact C-N 3.33Å; Q991-Q993 PolarHBondContact O-N 3.21Å; Q993-A996 PolarHBondContact O-N 3.26Å; Q993-T997 WeakPolarHBondContact O-CB 3.48Å; Q993-T997 PolarHBondContact O-N 3.38Å; Q993-T997 PolarHBondContact O-OG1 2.94Å |
| 994 | D | 91.4 | Very high | 89.5 | Confident | 86 Ų | 86 | 74 Ų | 74 | 46% | 0.46 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.3 | -43.9 | 177 | -64.4 | -22.7 | 0 | 0 | 0 | 110.6 | K990 Q991 A996 T997 L998 | K990-D994 PolarHBondContact O-N 3.03Å; Q991-D994 WeakPolarHBondContact O-CB 3.35Å; Q991-D994 PolarHBondContact O-N 3.3Å; D994-A996 PolarHBondContact O-N 3.44Å; D994-T997 WeakPolarHBondContact O-CB 3.47Å; D994-T997 PolarHBondContact O-N 3.06Å; D994-T997 VanDerWaalsContact O-N 3.13Å; D994-L998 PolarHBondContact O-N 2.93Å |
| 995 | I | 92.5 | Very high | 89.1 | Confident | 9 Ų | 9 | 76 Ų | 76 | 5% | 0.046 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -57.4 | -46.4 | 172.6 | -68.4 | 158.8 | 0 | 0 | 0 | 110.9 | I866 F869 Y959 F962 Q991 L992 T997 L998 A999 | I866-I995 HydrophobicContact CG1-CD1 4.32Å; F869-I995 HydrophobicContact CB-CD1 3.72Å; F869-I995 HydrophobicContact CB-CG1 3.83Å; F869-I995 HydrophobicContact CD1-CG2 4.37Å; F869-I995 HydrophobicContact CD2-CD1 3.63Å; F869-I995 HydrophobicContact CD2-CG1 4.08Å; F869-I995 HydrophobicContact CD2-CG2 3.67Å; F869-I995 HydrophobicContact CE1-CG2 4.42Å; F869-I995 HydrophobicContact CE2-CG2 3.75Å; F869-I995 HydrophobicContact CG-CD1 3.98Å; F869-I995 HydrophobicContact CG-CG1 4.07Å; F869-I995 HydrophobicContact CG-CG2 4Å; F869-I995 HydrophobicContact CZ-CG2 4.13Å; Y959-I995 HydrophobicContact CD1-CG2 3.93Å; Y959-I995 HydrophobicContact CE1-CG2 4.3Å; F962-I995 HydrophobicContact CD1-CG2 3.96Å; F962-I995 HydrophobicContact CE1-CG2 4.02Å; Q991-I995 WeakPolarHBondContact O-CD1 3.49Å; Q991-I995 VanDerWaalsContact O-CG1 3.25Å; Q991-I995 WeakPolarHBondContact O-CG1 3.46Å; Q991-I995 PolarHBondContact O-N 3.37Å; L992-I995 HydrophobicContact CD2-CD1 4.33Å; I995-T997 VanDerWaalsContact C-N 3.26Å; I995-T997 PolarHBondContact O-N 3.11Å; I995-L998 PolarHBondContact O-N 3.04Å; I995-A999 PolarHBondContact O-N 3.13Å |
| 996 | A | 89.1 | Confident | 88.3 | Confident | 30 Ų | 30 | 75.5 Ų | 75.5 | 25% | 0.248 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.2 | -29.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | K963 L992 Q993 D994 D1000 | K963-A996 HydrophobicContact CD-CB 4.37Å; K963-A996 PolarHBondContact NZ-O 3.15Å; L992-A996 WeakPolarHBondContact O-CB 3.48Å; L992-A996 PolarHBondContact O-N 3.24Å; Q993-A996 PolarHBondContact O-N 3.26Å; D994-A996 PolarHBondContact O-N 3.44Å; A996-D1000 PolarHBondContact O-N 3.17Å |
| 997 | T | 89.7 | Confident | 87.8 | Confident | 71 Ų | 71 | 72.4 Ų | 72.4 | 44% | 0.436 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -74.2 | -43.8 | 175 | -56 | 0 | 0 | 0 | 0 | 110.5 | Q993 D994 I995 A999 D1000 Q1001 | Q993-T997 WeakPolarHBondContact O-CB 3.48Å; Q993-T997 PolarHBondContact O-N 3.38Å; Q993-T997 PolarHBondContact O-OG1 2.94Å; D994-T997 WeakPolarHBondContact O-CB 3.47Å; D994-T997 PolarHBondContact O-N 3.06Å; D994-T997 VanDerWaalsContact O-N 3.13Å; I995-T997 VanDerWaalsContact C-N 3.26Å; I995-T997 PolarHBondContact O-N 3.11Å; T997-A999 VanDerWaalsContact C-N 3.3Å; T997-A999 PolarHBondContact O-N 3.09Å; T997-D1000 WeakPolarHBondContact O-CB 3.47Å; T997-D1000 PolarHBondContact O-N 2.94Å; T997-D1000 VanDerWaalsContact O-N 3.12Å; T997-Q1001 WeakPolarHBondContact O-CG 3.45Å; T997-Q1001 PolarHBondContact O-N 3.36Å |
| 998 | L | 88.2 | Confident | 87 | Confident | 44 Ų | 44 | 69 Ų | 69 | 23% | 0.23 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.8 | -39 | 175.4 | -173.8 | 56.9 | 0 | 0 | 0 | 111.4 | Y959 D994 I995 D1000 Q1001 R1002 | Y959-L998 HydrophobicContact CD1-CB 4.37Å; Y959-L998 HydrophobicContact CD1-CD2 4.14Å; Y959-L998 HydrophobicContact CD1-CG 4.26Å; Y959-L998 HydrophobicContact CE1-CB 4.48Å; Y959-L998 HydrophobicContact CE1-CD2 3.54Å; Y959-L998 HydrophobicContact CE1-CG 4.16Å; D994-L998 PolarHBondContact O-N 2.93Å; I995-L998 PolarHBondContact O-N 3.04Å; L998-D1000 VanDerWaalsContact C-N 3.3Å; L998-D1000 PolarHBondContact O-N 3.24Å; L998-Q1001 WeakPolarHBondContact O-CB 3.32Å; L998-Q1001 PolarHBondContact O-N 3.11Å; L998-Q1001 VanDerWaalsContact O-N 3.11Å; L998-R1002 HydrophobicContact CD1-CG 4.48Å; L998-R1002 WeakPolarHBondContact O-CG 3.36Å; L998-R1002 PolarHBondContact O-N 3.28Å |
| 999 | A | 90 | Very high | 86.1 | Confident | 1 Ų | 1 | 72.8 Ų | 72.8 | 1% | 0.008 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -57.8 | -38.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y959 K963 I995 T997 R1003 | Y959-A999 WeakPolarHBondContact O-CB 3.28Å; K963-A999 HydrophobicContact CB-CB 4.19Å; K963-A999 HydrophobicContact CD-CB 3.86Å; I995-A999 PolarHBondContact O-N 3.13Å; T997-A999 VanDerWaalsContact C-N 3.3Å; T997-A999 PolarHBondContact O-N 3.09Å; A999-R1003 WeakPolarHBondContact O-CB 3.31Å; A999-R1003 PolarHBondContact O-N 2.94Å; A999-R1003 VanDerWaalsContact O-N 3.08Å |
| 1000 | D | 89.4 | Confident | 85.3 | Confident | 80 Ų | 80 | 70 Ų | 70 | 43% | 0.428 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -70.2 | -38 | 174.9 | -75.3 | -26.4 | 0 | 0 | 0 | 111.8 | K963 A996 T997 L998 R1003 A1004 | K963-D1000 IonicContact NZ-OD1 2.81Å; K963-D1000 PolarHBondContact NZ-OD1 3.31Å; K963-D1000 IonicContact NZ-OD2 2.79Å; K963-D1000 PolarHBondContact NZ-OD2 2.85Å; A996-D1000 PolarHBondContact O-N 3.17Å; T997-D1000 WeakPolarHBondContact O-CB 3.47Å; T997-D1000 PolarHBondContact O-N 2.94Å; T997-D1000 VanDerWaalsContact O-N 3.12Å; L998-D1000 VanDerWaalsContact C-N 3.3Å; L998-D1000 PolarHBondContact O-N 3.24Å; D1000-R1003 PolarHBondContact O-N 3.43Å; D1000-A1004 WeakPolarHBondContact O-CB 3.5Å; D1000-A1004 PolarHBondContact O-N 3.22Å |
| 1001 | Q | 86.8 | Confident | 84.3 | Confident | 116 Ų | 116 | 68.8 Ų | 68.8 | 54% | 0.542 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.7 | -47 | 176.7 | -68.7 | 172.7 | -8.4 | 0 | 0 | 111.2 | T997 L998 R1003 A1004 A1005 | T997-Q1001 WeakPolarHBondContact O-CG 3.45Å; T997-Q1001 PolarHBondContact O-N 3.36Å; L998-Q1001 WeakPolarHBondContact O-CB 3.32Å; L998-Q1001 PolarHBondContact O-N 3.11Å; L998-Q1001 VanDerWaalsContact O-N 3.11Å; Q1001-R1003 PolarHBondContact O-N 3.18Å; Q1001-A1004 PolarHBondContact O-N 2.91Å; Q1001-A1005 WeakPolarHBondContact O-CB 3.43Å; Q1001-A1005 PolarHBondContact O-N 2.75Å |
| 1002 | R | 85.8 | Confident | 83.1 | Confident | 63 Ų | 63 | 71.4 Ų | 71.4 | 24% | 0.238 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 176.1 | -68.2 | -172 | 84.5 | 153.1 | 6 | 111.5 | D957 E958 L998 A1004 A1005 H1006 | D957-R1002 WeakPolarHBondContact OD2-CB 3.22Å; D957-R1002 IonicContact OD2-NE 3.93Å; E958-R1002 IonicContact OE1-CZ 3.89Å; E958-R1002 IonicContact OE1-NH1 3.6Å; E958-R1002 PolarHBondContact OE1-NH1 2.96Å; E958-R1002 IonicContact OE1-NH2 3.92Å; L998-R1002 HydrophobicContact CD1-CG 4.48Å; L998-R1002 WeakPolarHBondContact O-CG 3.36Å; L998-R1002 PolarHBondContact O-N 3.28Å; R1002-A1004 PolarHBondContact O-N 2.96Å; R1002-A1005 PolarHBondContact O-N 3.2Å; R1002-H1006 WeakPolarHBondContact O-CB 3.28Å; R1002-H1006 PolarHBondContact O-N 3.08Å |
| 1003 | R | 82.9 | Confident | 81.9 | Confident | 92 Ų | 92 | 76.9 Ų | 76.9 | 35% | 0.347 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -58.2 | -49.2 | 173.7 | -176.1 | 175.4 | -68.4 | 160.9 | -0.2 | 112.2 | Q960 A999 D1000 Q1001 A1005 H1006 E1007 | Q960-R1003 HydrophobicContact CG-CB 4.24Å; A999-R1003 WeakPolarHBondContact O-CB 3.31Å; A999-R1003 PolarHBondContact O-N 2.94Å; A999-R1003 VanDerWaalsContact O-N 3.08Å; D1000-R1003 PolarHBondContact O-N 3.43Å; Q1001-R1003 PolarHBondContact O-N 3.18Å; R1003-A1005 VanDerWaalsContact C-N 3.32Å; R1003-A1005 PolarHBondContact O-N 3.11Å; R1003-H1006 PolarHBondContact O-N 3.31Å; R1003-E1007 WeakPolarHBondContact O-CB 3.39Å; R1003-E1007 WeakPolarHBondContact O-CG 3.34Å; R1003-E1007 PolarHBondContact O-N 3.27Å |
| 1004 | A | 82.3 | Confident | 80.8 | Confident | 56 Ų | 56 | 77.9 Ų | 77.9 | 46% | 0.463 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.5 | -38.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D1000 Q1001 R1002 S1008 | D1000-A1004 WeakPolarHBondContact O-CB 3.5Å; D1000-A1004 PolarHBondContact O-N 3.22Å; Q1001-A1004 PolarHBondContact O-N 2.91Å; R1002-A1004 PolarHBondContact O-N 2.96Å; A1004-S1008 WeakPolarHBondContact O-CB 3.42Å; A1004-S1008 PolarHBondContact O-N 3.43Å |
| 1005 | A | 80.6 | Confident | 78.9 | Confident | 56 Ų | 56 | 76.6 Ų | 76.6 | 46% | 0.463 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65.6 | -45.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q1001 R1002 R1003 S1008 K1009 | Q1001-A1005 WeakPolarHBondContact O-CB 3.43Å; Q1001-A1005 PolarHBondContact O-N 2.75Å; R1002-A1005 PolarHBondContact O-N 3.2Å; R1003-A1005 VanDerWaalsContact C-N 3.32Å; R1003-A1005 PolarHBondContact O-N 3.11Å; A1005-S1008 CarbonylContact O-C 3.59Å; A1005-S1008 WeakPolarHBondContact O-CB 3.45Å; A1005-S1008 PolarHBondContact O-N 2.87Å; A1005-S1008 VanDerWaalsContact O-N 3.17Å; A1005-K1009 PolarHBondContact O-N 3.04Å |
| 1006 | H | 76 | Confident | 76.6 | Confident | 70 Ų | 70 | 77.9 Ų | 77.9 | 32% | 0.324 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63 | -44.5 | 175.6 | 178.6 | -85.1 | 0 | 0 | 0 | 111.8 | R1002 R1003 S1008 K1009 M1010 | R1002-H1006 WeakPolarHBondContact O-CB 3.28Å; R1002-H1006 PolarHBondContact O-N 3.08Å; R1003-H1006 PolarHBondContact O-N 3.31Å; H1006-S1008 PolarHBondContact O-N 3.25Å; H1006-S1008 VanDerWaalsContact C-N 3.26Å; H1006-K1009 PolarHBondContact O-N 3.24Å; H1006-M1010 WeakPolarHBondContact O-CB 3.35Å; H1006-M1010 WeakPolarHBondContact O-CG 3.35Å; H1006-M1010 PolarHBondContact O-N 3.21Å |
| 1007 | E | 78.4 | Confident | 74.2 | Confident | 111 Ų | 111 | 87 Ų | 87 | 52% | 0.519 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -58.7 | -38.4 | 172.7 | -74.3 | 176.4 | -171.6 | 0 | 0 | 111.6 | R1003 M1010 I1011 | R1003-E1007 WeakPolarHBondContact O-CB 3.39Å; R1003-E1007 WeakPolarHBondContact O-CG 3.34Å; R1003-E1007 PolarHBondContact O-N 3.27Å; E1007-M1010 PolarHBondContact O-N 2.7Å; E1007-I1011 WeakPolarHBondContact O-CD1 3.42Å; E1007-I1011 WeakPolarHBondContact O-CG1 3.08Å; E1007-I1011 PolarHBondContact O-N 3.12Å |
| 1008 | S | 75.7 | Confident | 71.9 | Confident | 63 Ų | 63 | 91.7 Ų | 91.7 | 44% | 0.441 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.8 | -47.4 | 174.9 | -165.6 | 0 | 0 | 0 | 0 | 112.6 | A1004 A1005 H1006 M1010 I1011 E1012 | A1004-S1008 WeakPolarHBondContact O-CB 3.42Å; A1004-S1008 PolarHBondContact O-N 3.43Å; A1005-S1008 CarbonylContact O-C 3.59Å; A1005-S1008 WeakPolarHBondContact O-CB 3.45Å; A1005-S1008 PolarHBondContact O-N 2.87Å; A1005-S1008 VanDerWaalsContact O-N 3.17Å; H1006-S1008 PolarHBondContact O-N 3.25Å; H1006-S1008 VanDerWaalsContact C-N 3.26Å; S1008-M1010 VanDerWaalsContact C-N 3.29Å; S1008-M1010 PolarHBondContact O-N 2.95Å; S1008-I1011 PolarHBondContact O-N 3.23Å; S1008-E1012 PolarHBondContact O-N 3.26Å |
| 1009 | K | 73.3 | Confident | 69.6 | Low | 119 Ų | 119 | 98 Ų | 98 | 52% | 0.517 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57.1 | -42.9 | 174 | -82.6 | -168.9 | 175.5 | -172.6 | 0 | 110.5 | E952 A1005 H1006 E1012 K1013 | E952-K1009 IonicContact OE2-NZ 3.75Å; A1005-K1009 PolarHBondContact O-N 3.04Å; H1006-K1009 PolarHBondContact O-N 3.24Å; K1009-E1012 PolarHBondContact O-N 3.13Å; K1009-K1013 PolarHBondContact O-N 3.16Å |
| 1010 | M | 72.6 | Confident | 67.4 | Low | 79 Ų | 79 | 103.8 Ų | 103.8 | 39% | 0.389 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.4 | -40.1 | 176.8 | -73.4 | -63.4 | -83 | 0 | 0 | 112.5 | H1006 E1007 S1008 E1012 K1013 H1014 | H1006-M1010 WeakPolarHBondContact O-CB 3.35Å; H1006-M1010 WeakPolarHBondContact O-CG 3.35Å; H1006-M1010 PolarHBondContact O-N 3.21Å; E1007-M1010 PolarHBondContact O-N 2.7Å; S1008-M1010 VanDerWaalsContact C-N 3.29Å; S1008-M1010 PolarHBondContact O-N 2.95Å; M1010-E1012 VanDerWaalsContact C-N 3.33Å; M1010-K1013 PolarHBondContact O-N 2.82Å; M1010-H1014 PolarHBondContact O-N 2.89Å; M1010-H1014 PolarHBondContact O-ND1 3.25Å |
| 1011 | I | 71.9 | Confident | 64.9 | Low | 105 Ų | 105 | 103.2 Ų | 103.2 | 54% | 0.538 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.5 | -39.9 | 173.9 | -70.5 | 162.8 | 0 | 0 | 0 | 110.9 | E1007 S1008 H1014 G1015 G1016 | E1007-I1011 WeakPolarHBondContact O-CD1 3.42Å; E1007-I1011 WeakPolarHBondContact O-CG1 3.08Å; E1007-I1011 PolarHBondContact O-N 3.12Å; S1008-I1011 PolarHBondContact O-N 3.23Å; I1011-H1014 CarbonylContact O-C 3.42Å; I1011-H1014 PolarHBondContact O-N 3.21Å; I1011-G1015 PolarHBondContact O-N 3.1Å; I1011-G1016 WeakPolarHBondContact O-CA 3.19Å; I1011-G1016 PolarHBondContact O-N 3.33Å |
| 1012 | E | 66.9 | Low | 63.1 | Low | 101 Ų | 101 | 104 Ų | 104 | 47% | 0.472 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.6 | -47.4 | 174.4 | -75.3 | -170.4 | 154.4 | 0 | 0 | 111.8 | S1008 K1009 M1010 H1014 G1015 K1018 | S1008-E1012 PolarHBondContact O-N 3.26Å; K1009-E1012 PolarHBondContact O-N 3.13Å; M1010-E1012 VanDerWaalsContact C-N 3.33Å; E1012-H1014 PolarHBondContact O-N 3.09Å; E1012-G1015 PolarHBondContact O-N 3.31Å; E1012-K1018 IonicContact OE1-NZ 2.71Å |
| 1013 | K | 66 | Low | 61.1 | Low | 132 Ų | 132 | 106.8 Ų | 106.8 | 57% | 0.574 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -58 | -32.5 | 174.2 | -77.7 | -169.4 | 175.2 | -173.6 | 0 | 112.7 | D953 K1009 M1010 G1015 | D953-K1013 IonicContact OD1-NZ 3.62Å; D953-K1013 PolarHBondContact OD1-NZ 3.4Å; D953-K1013 IonicContact OD2-NZ 2.76Å; D953-K1013 PolarHBondContact OD2-NZ 3.16Å; K1009-K1013 PolarHBondContact O-N 3.16Å; M1010-K1013 PolarHBondContact O-N 2.82Å; K1013-G1015 VanDerWaalsContact C-N 3.28Å; K1013-G1015 PolarHBondContact O-N 2.65Å |
| 1014 | H | 67.5 | Low | 59.5 | Low | 152 Ų | 152 | 109 Ų | 109 | 70% | 0.704 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | 8.7 | 175.8 | -70.4 | 80.6 | 0 | 0 | 0 | 114.2 | M1010 I1011 E1012 | M1010-H1014 PolarHBondContact O-N 2.89Å; M1010-H1014 PolarHBondContact O-ND1 3.25Å; I1011-H1014 CarbonylContact O-C 3.42Å; I1011-H1014 PolarHBondContact O-N 3.21Å; E1012-H1014 PolarHBondContact O-N 3.09Å |
| 1015 | G | 51.8 | Low | 57.6 | Low | 59 Ų | 59 | 110.4 Ų | 110.4 | 61% | 0.608 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 87.1 | 26.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | I1011 E1012 K1013 Y1017 | I1011-G1015 PolarHBondContact O-N 3.1Å; E1012-G1015 PolarHBondContact O-N 3.31Å; K1013-G1015 VanDerWaalsContact C-N 3.28Å; K1013-G1015 PolarHBondContact O-N 2.65Å; G1015-Y1017 PolarHBondContact O-N 3.26Å |
| 1016 | G | 43.5 | Very low | 56.1 | Low | 36 Ų | 36 | 114 Ų | 114 | 37% | 0.371 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -62 | 121.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | I1011 K1018 | I1011-G1016 WeakPolarHBondContact O-CA 3.19Å; I1011-G1016 PolarHBondContact O-N 3.33Å; G1016-K1018 PolarHBondContact O-N 3.48Å |
| 1017 | Y | 38.5 | Very low | 54.6 | Low | 220 Ų | 220 | 115.9 Ų | 115.9 | 86% | 0.863 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 123.6 | 179.5 | -113 | -100 | 0 | 0 | 0 | 112.9 | G1015 F1019 | G1015-Y1017 PolarHBondContact O-N 3.26Å; Y1017-F1019 PolarHBondContact O-N 3.05Å |
| 1018 | K | 41.3 | Very low | 52.8 | Low | 170 Ų | 170 | 117 Ų | 117 | 74% | 0.739 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 118.5 | 166.1 | -113.1 | 174.8 | -176.7 | 167.4 | 0 | 110.1 | E1012 G1016 S1020 | E1012-K1018 IonicContact OE1-NZ 2.71Å; G1016-K1018 PolarHBondContact O-N 3.48Å; K1018-S1020 PolarHBondContact O-N 3.16Å; K1018-S1020 VanDerWaalsContact O-N 3.17Å |
| 1019 | F | 40.8 | Very low | 51.4 | Low | 176 Ų | 176 | 121.2 Ų | 121.2 | 77% | 0.772 | 67% | 0.669 | S | S | * | * | trans | -76.1 | 99.3 | 174.6 | -81.1 | -87.4 | 0 | 0 | 0 | 110.9 | Y1017 A1021 | Y1017-F1019 PolarHBondContact O-N 3.05Å; F1019-A1021 VanDerWaalsContact C-N 3.28Å; F1019-A1021 PolarHBondContact O-N 3.19Å; F1019-A1021 VanDerWaalsContact O-N 3.17Å | ||
| 1020 | S | 42.8 | Very low | 49.9 | Very low | 124 Ų | 124 | 124.5 Ų | 124.5 | 87% | 0.867 | 68% | 0.683 | S | S | * | * | trans | -85.3 | 59.2 | 170.2 | 44.8 | 0 | 0 | 0 | 0 | 112 | K1018 | K1018-S1020 PolarHBondContact O-N 3.16Å; K1018-S1020 VanDerWaalsContact O-N 3.17Å | ||
| 1021 | A | 37.5 | Very low | 48 | Very low | 67 Ų | 67 | 123.8 Ų | 123.8 | 55% | 0.554 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -174.6 | 133.2 | 157.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1019 V1023 | F1019-A1021 VanDerWaalsContact C-N 3.28Å; F1019-A1021 PolarHBondContact O-N 3.19Å; F1019-A1021 VanDerWaalsContact O-N 3.17Å; A1021-V1023 VanDerWaalsContact C-N 3.35Å; A1021-V1023 PolarHBondContact O-N 2.88Å |
| 1022 | P | 48.1 | Very low | 46.2 | Very low | 133 Ų | 133 | 121.8 Ų | 121.8 | 86% | 0.864 | 70% | 0.702 | S | S | * | * | trans | -85 | 74.6 | 179.3 | 35.6 | -32.6 | 0 | 0 | 0 | 110.4 | ||||
| 1023 | V | 44.6 | Very low | 45 | Very low | 121 Ų | 121 | 123.2 Ų | 123.2 | 73% | 0.733 | 72% | 0.72 | S | S | * | * | trans | -136.7 | 102 | 163.8 | -170.8 | 0 | 0 | 0 | 0 | 108.9 | A1021 P1025 | A1021-V1023 VanDerWaalsContact C-N 3.35Å; A1021-V1023 PolarHBondContact O-N 2.88Å; V1023-P1025 VanDerWaalsContact O-CD 3.23Å; V1023-P1025 WeakPolarHBondContact O-CD 3.35Å | ||
| 1024 | V | 48.4 | Very low | 43.7 | Very low | 139 Ų | 139 | 121 Ų | 121 | 84% | 0.842 | 73% | 0.726 | S | S | * | * | trans | -69.3 | 115.1 | 179 | -177.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1025 | P | 43.1 | Very low | 42.2 | Very low | 85 Ų | 85 | 120.3 Ų | 120.3 | 55% | 0.552 | 74% | 0.735 | S | S | * | * | trans | -78.3 | 137.1 | 177.2 | -9.5 | 27.2 | 0 | 0 | 0 | 111 | V1023 S1027 | V1023-P1025 VanDerWaalsContact O-CD 3.23Å; V1023-P1025 WeakPolarHBondContact O-CD 3.35Å; P1025-S1027 PolarHBondContact O-N 2.9Å | ||
| 1026 | S | 50 | Low | 41.5 | Very low | 131 Ų | 131 | 121.2 Ų | 121.2 | 92% | 0.916 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -83.3 | 7.4 | -167.3 | 49 | 0 | 0 | 0 | 0 | 116.7 | ||
| 1027 | S | 44.5 | Very low | 41 | Very low | 110 Ų | 110 | 128.6 Ų | 128.6 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | -157.5 | 119.7 | 170 | 60.2 | 0 | 0 | 0 | 0 | 111.7 | P1025 | P1025-S1027 PolarHBondContact O-N 2.9Š| ||
| 1028 | F | 39.2 | Very low | 40.9 | Very low | 135 Ų | 135 | 129.6 Ų | 129.6 | 59% | 0.592 | 79% | 0.792 | S | S | * | * | trans | -110.4 | 134.8 | -178.9 | -129.1 | -94.5 | 0 | 0 | 0 | 109.7 | F1030 | F1028-F1030 HydrophobicContact CG-CE2 4.32Å; F1028-F1030 VanDerWaalsContact CE1-CZ 3.42Å; F1028-F1030 HydrophobicContact CE1-CZ 3.42Å; F1028-F1030 AromaticContact CE1-CZ 3.42Å; F1028-F1030 HydrophobicContact CE1-CE2 3.75Å; F1028-F1030 HydrophobicContact CD1-CG 4.39Å; F1028-F1030 AromaticContact CE1-CE2 3.75Å; F1028-F1030 HydrophobicContact CE1-CE1 3.82Å; F1028-F1030 AromaticContact CE1-CE1 3.82Å; F1028-F1030 HydrophobicContact CE1-CD2 4.4Å; F1028-F1030 HydrophobicContact CE1-CD1 4.46Å; F1028-F1030 HydrophobicContact CD1-CZ 3.56Å; F1028-F1030 AromaticContact CD1-CZ 3.56Å; F1028-F1030 HydrophobicContact CD1-CE2 3.33Å; F1028-F1030 AromaticContact CD1-CE2 3.33Å; F1028-F1030 HydrophobicContact CD1-CE1 4.19Å; F1028-F1030 HydrophobicContact CD1-CD2 3.79Å; F1028-F1030 AromaticContact CD1-CD2 3.79Å | ||
| 1029 | N | 46.5 | Very low | 40.8 | Very low | 152 Ų | 152 | 127.6 Ų | 127.6 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | -133.3 | 109.4 | 173.4 | -170.8 | 2.4 | 0 | 0 | 0 | 109.4 | G1031 | N1029-G1031 PolarHBondContact O-N 3.05Š| ||
| 1030 | F | 42.6 | Very low | 40.8 | Very low | 187 Ų | 187 | 125.1 Ų | 125.1 | 82% | 0.82 | 80% | 0.796 | S | S | * | * | trans | -80.5 | 14 | -174.8 | -82.6 | -81.9 | 0 | 0 | 0 | 114.6 | F1028 | F1028-F1030 HydrophobicContact CG-CE2 4.32Å; F1028-F1030 VanDerWaalsContact CE1-CZ 3.42Å; F1028-F1030 HydrophobicContact CE1-CZ 3.42Å; F1028-F1030 AromaticContact CE1-CZ 3.42Å; F1028-F1030 HydrophobicContact CE1-CE2 3.75Å; F1028-F1030 HydrophobicContact CD1-CG 4.39Å; F1028-F1030 AromaticContact CE1-CE2 3.75Å; F1028-F1030 HydrophobicContact CE1-CE1 3.82Å; F1028-F1030 AromaticContact CE1-CE1 3.82Å; F1028-F1030 HydrophobicContact CE1-CD2 4.4Å; F1028-F1030 HydrophobicContact CE1-CD1 4.46Å; F1028-F1030 HydrophobicContact CD1-CZ 3.56Å; F1028-F1030 AromaticContact CD1-CZ 3.56Å; F1028-F1030 HydrophobicContact CD1-CE2 3.33Å; F1028-F1030 AromaticContact CD1-CE2 3.33Å; F1028-F1030 HydrophobicContact CD1-CE1 4.19Å; F1028-F1030 HydrophobicContact CD1-CD2 3.79Å; F1028-F1030 AromaticContact CD1-CD2 3.79Å | ||
| 1031 | G | 32.7 | Very low | 40.7 | Very low | 64 Ų | 64 | 125.1 Ų | 125.1 | 66% | 0.66 | 79% | 0.792 | S | S | * | * | trans | -106 | 33.7 | -169.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | N1029 | N1029-G1031 PolarHBondContact O-N 3.05Š| ||
| 1032 | G | 34.6 | Very low | 40.9 | Very low | 64 Ų | 64 | 128.5 Ų | 128.5 | 66% | 0.66 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 129.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A1034 | G1032-A1034 PolarHBondContact O-N 3.49Š|
| 1033 | P | 40 | Very low | 40.5 | Very low | 130 Ų | 130 | 128.3 Ų | 128.3 | 84% | 0.844 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 134.1 | -176.2 | 13.6 | -6.8 | 0 | 0 | 0 | 111.3 | ||
| 1034 | A | 39.6 | Very low | 40.2 | Very low | 85 Ų | 85 | 128.7 Ų | 128.7 | 70% | 0.702 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -56 | 137.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G1032 G1036 | G1032-A1034 PolarHBondContact O-N 3.49Å; A1034-G1036 PolarHBondContact O-N 3.13Å |
| 1035 | P | 36 | Very low | 39.6 | Very low | 138 Ų | 138 | 128 Ų | 128 | 90% | 0.896 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | 122.5 | -178.3 | 29.7 | -30.7 | 0 | 0 | 0 | 110.2 | ||
| 1036 | G | 37.9 | Very low | 39.3 | Very low | 78 Ų | 78 | 131.3 Ų | 131.3 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 127.7 | -2.1 | 163.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | A1034 N1038 | A1034-G1036 PolarHBondContact O-N 3.13Å; G1036-N1038 PolarHBondContact O-N 3.26Å |
| 1037 | M | 32.5 | Very low | 38.5 | Very low | 191 Ų | 191 | 131.3 Ų | 131.3 | 94% | 0.941 | 82% | 0.816 | S | S | * | * | trans | -93.1 | 95.1 | 171.9 | -74 | -170.6 | 168.5 | 0 | 0 | 111.2 | ||||
| 1038 | N | 35.6 | Very low | 37.9 | Very low | 242 Ų | 242 | 133.3 Ų | 133.3 | 100% | 1.294 | 82% | 0.821 | S | S | * | * | trans | -108.7 | 0 | 150.6 | -97.2 | -12.3 | 0 | 0 | 0 | 108.5 | G1036 | G1036-N1038 PolarHBondContact O-N 3.26Š|
Retrieved 1,038 of 1,038 residues in 9367.4 ms
(Link to these results)