| 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 | 63.5 | Low | 86.2 | Confident | 108 Ų | 108 | 68.5 Ų | 68.5 | 53% | 0.532 | 33% | 0.326 | S | S | . | . | 0 | 138.6 | 0 | -169.8 | 179.1 | -81.6 | 0 | 0 | 108 | L3 I6 I32 F35 | M1-L3 PolarHBondContact O-N 3.03Å; M1-I6 HydrophobicContact CG-CD1 4Å; M1-I6 HydrophobicContact CG-CG1 4.48Å; M1-I6 HydrophobicContact SD-CD1 3.4Å; M1-I6 WeakPolarHBondContact SD-CD1 3.34Å; M1-I6 HydrophobicContact SD-CG1 4.22Å; M1-I32 HydrophobicContact CE-CB 3.39Å; M1-I32 HydrophobicContact CE-CD1 4.06Å; M1-I32 HydrophobicContact CE-CG1 4.31Å; M1-I32 HydrophobicContact CE-CG2 3.28Å; M1-F35 HydrophobicContact CE-CB 3.8Å; M1-F35 HydrophobicContact CE-CD2 3.9Å; M1-F35 HydrophobicContact CE-CG 4.35Å; M1-F35 HydrophobicContact SD-CB 4.24Å; M1-F35 HydrophobicContact SD-CD2 3.71Å; M1-F35 HydrophobicContact SD-CG 4.45Å | |||
| 2 | D | 78.8 | Confident | 86.5 | Confident | 94 Ų | 94 | 63.3 Ų | 63.3 | 50% | 0.503 | 31% | 0.305 | S | S | . | . | trans | -83.3 | 111.2 | 178.7 | -176 | 1 | 0 | 0 | 0 | 110 | N4 R5 I6 | D2-N4 PolarHBondContact O-N 3.06Å; D2-N4 WeakPolarHBondContact OD1-CB 3.43Å; D2-N4 PolarHBondContact OD1-N 2.85Å; D2-R5 HydrophobicContact CB-CB 4.09Å; D2-R5 WeakPolarHBondContact O-CB 3.41Å; D2-R5 PolarHBondContact O-N 3.04Å; D2-I6 PolarHBondContact O-N 3.09Å | ||
| 3 | L | 84.2 | Confident | 86.7 | Confident | 51 Ų | 51 | 61.2 Ų | 61.2 | 27% | 0.267 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.1 | -34 | -178.9 | -157.1 | 77.8 | 0 | 0 | 0 | 111.6 | M1 R5 I6 I7 I42 | M1-L3 PolarHBondContact O-N 3.03Å; L3-R5 VanDerWaalsContact C-N 3.27Å; L3-R5 PolarHBondContact O-N 3.22Å; L3-I6 PolarHBondContact O-N 3.03Å; L3-I7 HydrophobicContact CD2-CD1 4.36Å; L3-I7 HydrophobicContact CG-CD1 4.24Å; L3-I7 VanDerWaalsContact O-CG1 3.28Å; L3-I7 WeakPolarHBondContact O-CG1 3.43Å; L3-I7 PolarHBondContact O-N 3Å; L3-I42 HydrophobicContact CD1-CD1 3.93Å; L3-I42 HydrophobicContact CD1-CG1 3.75Å; L3-I42 HydrophobicContact CD2-CG1 4.23Å; L3-I42 HydrophobicContact CG-CD1 4.14Å; L3-I42 HydrophobicContact CG-CG1 3.86Å |
| 4 | N | 86.6 | Confident | 86.9 | Confident | 106 Ų | 106 | 63.2 Ų | 63.2 | 57% | 0.567 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -66 | -34.7 | -179.9 | -67.8 | -47 | 0 | 0 | 0 | 111.4 | D2 I7 Q8 | D2-N4 PolarHBondContact O-N 3.06Å; D2-N4 WeakPolarHBondContact OD1-CB 3.43Å; D2-N4 PolarHBondContact OD1-N 2.85Å; N4-I7 PolarHBondContact O-N 3.43Å; N4-Q8 WeakPolarHBondContact O-CG 3.43Å; N4-Q8 PolarHBondContact O-N 3.22Å |
| 5 | R | 88.3 | Confident | 86.9 | Confident | 140 Ų | 140 | 63.2 Ų | 63.2 | 53% | 0.528 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 177.4 | -169.8 | 174.5 | 178.1 | -169.9 | -7.8 | 111.7 | D2 L3 Q8 A9 E25 | D2-R5 HydrophobicContact CB-CB 4.09Å; D2-R5 WeakPolarHBondContact O-CB 3.41Å; D2-R5 PolarHBondContact O-N 3.04Å; L3-R5 VanDerWaalsContact C-N 3.27Å; L3-R5 PolarHBondContact O-N 3.22Å; R5-Q8 PolarHBondContact O-N 3Å; R5-A9 PolarHBondContact O-N 3.15Å; R5-E25 IonicContact CZ-OE1 3.89Å; R5-E25 VanDerWaalsContact CZ-OE1 3.28Å; R5-E25 IonicContact NE-OE1 2.84Å; R5-E25 PolarHBondContact NE-OE1 3.41Å; R5-E25 IonicContact NH2-OE1 2.77Å; R5-E25 PolarHBondContact NH2-OE1 3.46Å |
| 6 | I | 89.9 | Confident | 86.8 | Confident | 8 Ų | 8 | 66.7 Ų | 66.7 | 4% | 0.041 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64 | -43.2 | 175.4 | -51.3 | 172.7 | 0 | 0 | 0 | 110.4 | M1 D2 L3 Q8 A9 L10 L26 F35 L39 I42 | M1-I6 HydrophobicContact CG-CD1 4Å; M1-I6 HydrophobicContact CG-CG1 4.48Å; M1-I6 HydrophobicContact SD-CD1 3.4Å; M1-I6 WeakPolarHBondContact SD-CD1 3.34Å; M1-I6 HydrophobicContact SD-CG1 4.22Å; D2-I6 PolarHBondContact O-N 3.09Å; L3-I6 PolarHBondContact O-N 3.03Å; I6-Q8 VanDerWaalsContact C-N 3.34Å; I6-Q8 PolarHBondContact O-N 2.73Å; I6-A9 PolarHBondContact O-N 2.99Å; I6-L10 HydrophobicContact CG2-CD1 3.85Å; I6-L10 HydrophobicContact CG2-CG 4.24Å; I6-L10 WeakPolarHBondContact O-CB 3.25Å; I6-L10 VanDerWaalsContact O-CG 3.28Å; I6-L10 WeakPolarHBondContact O-CG 3.23Å; I6-L10 PolarHBondContact O-N 3Å; I6-L26 HydrophobicContact CG2-CD2 4.38Å; I6-F35 HydrophobicContact CD1-CD2 4.19Å; I6-F35 HydrophobicContact CD1-CE2 4.21Å; I6-F35 HydrophobicContact CG1-CE2 4.3Å; I6-F35 HydrophobicContact CG2-CE2 4.19Å; I6-L39 HydrophobicContact CG2-CD2 3.92Å; I6-I42 HydrophobicContact CB-CD1 3.95Å; I6-I42 HydrophobicContact CG2-CD1 3.72Å |
| 7 | I | 91.8 | Very high | 86.8 | Confident | 27 Ų | 27 | 73.8 Ų | 73.8 | 14% | 0.138 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60 | -43 | 177.6 | -70.8 | 165.5 | 0 | 0 | 0 | 111.2 | L3 N4 K11 I42 V48 V52 | L3-I7 HydrophobicContact CD2-CD1 4.36Å; L3-I7 HydrophobicContact CG-CD1 4.24Å; L3-I7 VanDerWaalsContact O-CG1 3.28Å; L3-I7 WeakPolarHBondContact O-CG1 3.43Å; L3-I7 PolarHBondContact O-N 3Å; N4-I7 PolarHBondContact O-N 3.43Å; I7-K11 WeakPolarHBondContact O-CB 3.39Å; I7-K11 PolarHBondContact O-N 2.99Å; I7-I42 HydrophobicContact CD1-CG1 4.36Å; I7-I42 HydrophobicContact CG1-CD1 3.89Å; I7-I42 HydrophobicContact CG1-CG1 4.02Å; I7-I42 HydrophobicContact CG1-CG2 4.23Å; I7-V48 HydrophobicContact CD1-CG2 3.83Å; I7-V48 HydrophobicContact CG1-CG2 4.45Å; I7-V52 HydrophobicContact CG2-CG1 4.25Å |
| 8 | Q | 90.7 | Very high | 86.7 | Confident | 127 Ų | 127 | 74.8 Ų | 74.8 | 59% | 0.593 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -66.6 | -41.9 | 177.1 | -69.3 | -58.8 | -33.9 | 0 | 0 | 112 | N4 R5 I6 K11 G12 | N4-Q8 WeakPolarHBondContact O-CG 3.43Å; N4-Q8 PolarHBondContact O-N 3.22Å; R5-Q8 PolarHBondContact O-N 3Å; I6-Q8 VanDerWaalsContact C-N 3.34Å; I6-Q8 PolarHBondContact O-N 2.73Å; Q8-K11 PolarHBondContact O-N 3.44Å; Q8-G12 PolarHBondContact O-N 3.07Å |
| 9 | A | 90.6 | Very high | 86.7 | Confident | 3 Ų | 3 | 78.2 Ų | 78.2 | 3% | 0.025 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.6 | -48.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | R5 I6 K11 G12 T13 A22 E25 L26 | R5-A9 PolarHBondContact O-N 3.15Å; I6-A9 PolarHBondContact O-N 2.99Å; A9-K11 PolarHBondContact O-N 3.47Å; A9-G12 WeakPolarHBondContact O-CA 3.31Å; A9-G12 PolarHBondContact O-N 3.28Å; A9-T13 PolarHBondContact O-N 3.08Å; A9-A22 VanDerWaalsContact O-CB 3.25Å; A9-A22 WeakPolarHBondContact O-CB 3.18Å; A9-E25 HydrophobicContact CB-CG 4.31Å; A9-L26 HydrophobicContact CB-CD2 3.88Å; A9-L26 HydrophobicContact CB-CG 4Å |
| 10 | L | 92.2 | Very high | 86.6 | Confident | 2 Ų | 2 | 80.7 Ų | 80.7 | 1% | 0.01 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.7 | -29.8 | 175.5 | -70.3 | 168.2 | 0 | 0 | 0 | 113.4 | I6 T13 L26 L39 I42 V52 A55 A56 | I6-L10 HydrophobicContact CG2-CD1 3.85Å; I6-L10 HydrophobicContact CG2-CG 4.24Å; I6-L10 WeakPolarHBondContact O-CB 3.25Å; I6-L10 VanDerWaalsContact O-CG 3.28Å; I6-L10 WeakPolarHBondContact O-CG 3.23Å; I6-L10 PolarHBondContact O-N 3Å; L10-T13 PolarHBondContact O-OG1 2.98Å; L10-L26 HydrophobicContact CD2-CD1 4.08Å; L10-L26 HydrophobicContact CD2-CD2 4.42Å; L10-L26 HydrophobicContact CG-CD2 4.43Å; L10-L39 HydrophobicContact CD1-CD2 4.07Å; L10-I42 HydrophobicContact CD1-CD1 4.27Å; L10-I42 HydrophobicContact CD1-CG2 4.44Å; L10-V52 HydrophobicContact CB-CG1 3.77Å; L10-V52 HydrophobicContact CD1-CG1 4.3Å; L10-A55 HydrophobicContact CD2-CB 4.47Å; L10-A56 HydrophobicContact CD1-CB 3.73Å |
| 11 | K | 92.1 | Very high | 86.6 | Confident | 87 Ų | 87 | 80 Ų | 80 | 38% | 0.378 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -70.6 | -38.7 | 172.1 | -171.9 | 165.1 | -178.5 | 150.6 | 0 | 111.1 | I7 Q8 A9 T13 I14 E49 V52 | I7-K11 WeakPolarHBondContact O-CB 3.39Å; I7-K11 PolarHBondContact O-N 2.99Å; Q8-K11 PolarHBondContact O-N 3.44Å; A9-K11 PolarHBondContact O-N 3.47Å; K11-T13 VanDerWaalsContact C-N 3.32Å; K11-T13 PolarHBondContact O-N 3.31Å; K11-I14 PolarHBondContact O-N 2.79Å; K11-E49 IonicContact NZ-OE1 2.87Å; K11-E49 PolarHBondContact NZ-OE1 3.02Å; K11-E49 IonicContact NZ-OE2 2.64Å; K11-E49 PolarHBondContact NZ-OE2 3.37Å; K11-V52 HydrophobicContact CB-CG2 4.01Å; K11-V52 HydrophobicContact CG-CG2 4.29Å |
| 12 | G | 89.8 | Confident | 87.8 | Confident | 7 Ų | 7 | 75.1 Ų | 75.1 | 7% | 0.072 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.4 | -28.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q8 A9 I14 D15 L18 R19 | Q8-G12 PolarHBondContact O-N 3.07Å; A9-G12 WeakPolarHBondContact O-CA 3.31Å; A9-G12 PolarHBondContact O-N 3.28Å; G12-I14 PolarHBondContact O-N 3.39Å; G12-D15 PolarHBondContact O-N 3.08Å; G12-L18 CarbonylContact O-C 3.44Å; G12-R19 WeakPolarHBondContact O-CA 3.4Å; G12-R19 PolarHBondContact O-N 3.35Å |
| 13 | T | 89.4 | Confident | 88.1 | Confident | 35 Ų | 35 | 74 Ų | 74 | 22% | 0.215 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -17.8 | 175.9 | 60.2 | 0 | 0 | 0 | 0 | 113.3 | A9 L10 K11 A22 E23 L26 | A9-T13 PolarHBondContact O-N 3.08Å; L10-T13 PolarHBondContact O-OG1 2.98Å; K11-T13 VanDerWaalsContact C-N 3.32Å; K11-T13 PolarHBondContact O-N 3.31Å; T13-A22 HydrophobicContact CG2-CB 3.83Å; T13-E23 HydrophobicContact CG2-CG 4.17Å; T13-L26 HydrophobicContact CG2-CD1 3.65Å |
| 14 | I | 88.9 | Confident | 88.2 | Confident | 90 Ų | 90 | 75.7 Ų | 75.7 | 46% | 0.462 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -15.4 | 179.5 | -49.2 | 169 | 0 | 0 | 0 | 110.8 | K11 G12 P51 A55 | K11-I14 PolarHBondContact O-N 2.79Å; G12-I14 PolarHBondContact O-N 3.39Å; I14-P51 HydrophobicContact CD1-CB 3.84Å; I14-A55 HydrophobicContact CD1-CB 4.16Å; I14-A55 HydrophobicContact CG1-CB 4.37Å |
| 15 | D | 86.8 | Confident | 88.2 | Confident | 63 Ų | 63 | 73.2 Ų | 73.2 | 34% | 0.337 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -96.3 | 117.9 | 176.5 | -175.3 | -21.8 | 0 | 0 | 0 | 110.3 | G12 K17 L18 R19 | G12-D15 PolarHBondContact O-N 3.08Å; D15-K17 PolarHBondContact O-N 2.98Å; D15-K17 WeakPolarHBondContact OD1-CB 3.4Å; D15-K17 PolarHBondContact OD1-N 3.4Å; D15-L18 HydrophobicContact CB-CB 4.24Å; D15-L18 HydrophobicContact CB-CD1 4.43Å; D15-L18 HydrophobicContact CB-CG 4.44Å; D15-L18 PolarHBondContact O-N 3.13Å; D15-R19 PolarHBondContact O-N 2.71Å |
| 16 | P | 85.5 | Confident | 88.2 | Confident | 119 Ų | 119 | 66.6 Ų | 66.6 | 77% | 0.773 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -29.7 | 178.9 | -27.1 | 34.5 | 0 | 0 | 0 | 114.4 | ||
| 17 | K | 85.8 | Confident | 87.9 | Confident | 188 Ų | 188 | 70.5 Ų | 70.5 | 82% | 0.817 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -24.9 | -179.4 | -63.3 | -179.8 | -177.9 | 175.8 | 0 | 113.4 | D15 | D15-K17 PolarHBondContact O-N 2.98Å; D15-K17 WeakPolarHBondContact OD1-CB 3.4Å; D15-K17 PolarHBondContact OD1-N 3.4Å |
| 18 | L | 86.2 | Confident | 87.5 | Confident | 92 Ų | 92 | 76.1 Ų | 76.1 | 48% | 0.482 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | -9.7 | -175 | -60.3 | 176.6 | 0 | 0 | 0 | 112.9 | G12 D15 I20 A21 A22 | G12-L18 CarbonylContact O-C 3.44Å; D15-L18 HydrophobicContact CB-CB 4.24Å; D15-L18 HydrophobicContact CB-CD1 4.43Å; D15-L18 HydrophobicContact CB-CG 4.44Å; D15-L18 PolarHBondContact O-N 3.13Å; L18-I20 PolarHBondContact O-N 3.47Å; L18-A21 PolarHBondContact O-N 3.3Å; L18-A21 VanDerWaalsContact O-N 3.17Å; L18-A22 WeakPolarHBondContact O-CB 3.4Å; L18-A22 PolarHBondContact O-N 3.27Å |
| 19 | R | 86.8 | Confident | 87.2 | Confident | 138 Ų | 138 | 71.1 Ų | 71.1 | 52% | 0.521 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -48.9 | -56.2 | -174.6 | -177.8 | 179.1 | 172.2 | -173.3 | -2 | 113.7 | G12 D15 A21 A22 E23 | G12-R19 WeakPolarHBondContact O-CA 3.4Å; G12-R19 PolarHBondContact O-N 3.35Å; D15-R19 PolarHBondContact O-N 2.71Å; R19-A21 VanDerWaalsContact C-N 3.33Å; R19-A21 PolarHBondContact O-N 3.25Å; R19-A22 PolarHBondContact O-N 3.4Å; R19-E23 HydrophobicContact CG-CG 4.37Å; R19-E23 VanDerWaalsContact CG-OE1 3.31Å; R19-E23 WeakPolarHBondContact CG-OE1 3.49Å; R19-E23 IonicContact CZ-OE1 3.29Å; R19-E23 IonicContact NE-OE1 3.92Å; R19-E23 PolarHBondContact NE-OE1 3.06Å; R19-E23 IonicContact NH2-OE1 3.99Å; R19-E23 WeakPolarHBondContact O-CB 3.28Å; R19-E23 WeakPolarHBondContact O-CG 3.32Å; R19-E23 PolarHBondContact O-N 3Å |
| 20 | I | 84.5 | Confident | 86.9 | Confident | 129 Ų | 129 | 72.9 Ų | 72.9 | 66% | 0.662 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -61.7 | -41.9 | -176.9 | -61.6 | 171.8 | 0 | 0 | 0 | 111.2 | L18 N24 | L18-I20 PolarHBondContact O-N 3.47Å; I20-N24 WeakPolarHBondContact O-CB 3.29Å; I20-N24 VanDerWaalsContact O-CG 3.25Å; I20-N24 PolarHBondContact O-N 3.48Å; I20-N24 VanDerWaalsContact O-N 3.09Å; I20-N24 PolarHBondContact O-ND2 2.73Å |
| 21 | A | 87.1 | Confident | 86.6 | Confident | 66 Ų | 66 | 78.8 Ų | 78.8 | 55% | 0.545 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -67 | -41.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L18 R19 E25 | L18-A21 PolarHBondContact O-N 3.3Å; L18-A21 VanDerWaalsContact O-N 3.17Å; R19-A21 VanDerWaalsContact C-N 3.33Å; R19-A21 PolarHBondContact O-N 3.25Å; A21-E25 PolarHBondContact O-N 3.25Å; A21-E25 VanDerWaalsContact O-N 3.08Å |
| 22 | A | 87.2 | Confident | 86.3 | Confident | 5 Ų | 5 | 78.8 Ų | 78.8 | 4% | 0.041 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -67.6 | -43.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | A9 T13 L18 R19 N24 E25 L26 | A9-A22 VanDerWaalsContact O-CB 3.25Å; A9-A22 WeakPolarHBondContact O-CB 3.18Å; T13-A22 HydrophobicContact CG2-CB 3.83Å; L18-A22 WeakPolarHBondContact O-CB 3.4Å; L18-A22 PolarHBondContact O-N 3.27Å; R19-A22 PolarHBondContact O-N 3.4Å; A22-N24 VanDerWaalsContact C-N 3.34Å; A22-N24 PolarHBondContact O-N 3.45Å; A22-E25 PolarHBondContact O-N 3.17Å; A22-L26 WeakPolarHBondContact O-CG 3.43Å; A22-L26 PolarHBondContact O-N 2.94Å |
| 23 | E | 85.8 | Confident | 86.2 | Confident | 71 Ų | 71 | 82.5 Ų | 82.5 | 33% | 0.332 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.6 | -42.8 | 175.2 | -75 | 174 | -179.2 | 0 | 0 | 110.9 | T13 R19 E25 L26 N27 | T13-E23 HydrophobicContact CG2-CG 4.17Å; R19-E23 HydrophobicContact CG-CG 4.37Å; R19-E23 VanDerWaalsContact CG-OE1 3.31Å; R19-E23 WeakPolarHBondContact CG-OE1 3.49Å; R19-E23 IonicContact CZ-OE1 3.29Å; R19-E23 IonicContact NE-OE1 3.92Å; R19-E23 PolarHBondContact NE-OE1 3.06Å; R19-E23 IonicContact NH2-OE1 3.99Å; R19-E23 WeakPolarHBondContact O-CB 3.28Å; R19-E23 WeakPolarHBondContact O-CG 3.32Å; R19-E23 PolarHBondContact O-N 3Å; E23-E25 VanDerWaalsContact C-N 3.32Å; E23-E25 PolarHBondContact O-N 3.28Å; E23-L26 PolarHBondContact O-N 3.45Å; E23-N27 WeakPolarHBondContact O-CB 3.42Å; E23-N27 VanDerWaalsContact O-CG 3.23Å; E23-N27 PolarHBondContact O-N 3.35Å; E23-N27 PolarHBondContact O-ND2 3.3Å |
| 24 | N | 85.8 | Confident | 86.2 | Confident | 86 Ų | 86 | 83.9 Ų | 83.9 | 46% | 0.46 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.9 | -38.9 | 174.1 | -77.1 | -35.3 | 0 | 0 | 0 | 112.6 | I20 A22 N27 Q28 | I20-N24 WeakPolarHBondContact O-CB 3.29Å; I20-N24 VanDerWaalsContact O-CG 3.25Å; I20-N24 PolarHBondContact O-N 3.48Å; I20-N24 VanDerWaalsContact O-N 3.09Å; I20-N24 PolarHBondContact O-ND2 2.73Å; A22-N24 VanDerWaalsContact C-N 3.34Å; A22-N24 PolarHBondContact O-N 3.45Å; N24-N27 PolarHBondContact O-N 2.89Å; N24-Q28 WeakPolarHBondContact O-CG 3.3Å; N24-Q28 PolarHBondContact O-N 3Å; N24-Q28 VanDerWaalsContact O-N 3.08Å |
| 25 | E | 87.2 | Confident | 86.3 | Confident | 54 Ų | 54 | 79.6 Ų | 79.6 | 25% | 0.252 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.7 | -39.4 | 176.6 | -178.5 | 166.2 | -154.6 | 0 | 0 | 112.5 | R5 A9 A21 A22 E23 Q28 S29 | R5-E25 IonicContact CZ-OE1 3.89Å; R5-E25 VanDerWaalsContact CZ-OE1 3.28Å; R5-E25 IonicContact NE-OE1 2.84Å; R5-E25 PolarHBondContact NE-OE1 3.41Å; R5-E25 IonicContact NH2-OE1 2.77Å; R5-E25 PolarHBondContact NH2-OE1 3.46Å; A9-E25 HydrophobicContact CB-CG 4.31Å; A21-E25 PolarHBondContact O-N 3.25Å; A21-E25 VanDerWaalsContact O-N 3.08Å; A22-E25 PolarHBondContact O-N 3.17Å; E23-E25 VanDerWaalsContact C-N 3.32Å; E23-E25 PolarHBondContact O-N 3.28Å; E25-Q28 PolarHBondContact O-N 3.18Å; E25-S29 PolarHBondContact O-N 3.46Å; E25-S29 PolarHBondContact O-OG 3.11Å |
| 26 | L | 87.7 | Confident | 86.6 | Confident | 2 Ų | 2 | 76.6 Ų | 76.6 | 1% | 0.01 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -66.2 | -40.6 | 173.9 | -67 | 170.2 | 0 | 0 | 0 | 111.1 | I6 A9 L10 T13 A22 E23 Q28 S29 Y30 F35 Y59 | I6-L26 HydrophobicContact CG2-CD2 4.38Å; A9-L26 HydrophobicContact CB-CD2 3.88Å; A9-L26 HydrophobicContact CB-CG 4Å; L10-L26 HydrophobicContact CD2-CD1 4.08Å; L10-L26 HydrophobicContact CD2-CD2 4.42Å; L10-L26 HydrophobicContact CG-CD2 4.43Å; T13-L26 HydrophobicContact CG2-CD1 3.65Å; A22-L26 WeakPolarHBondContact O-CG 3.43Å; A22-L26 PolarHBondContact O-N 2.94Å; E23-L26 PolarHBondContact O-N 3.45Å; L26-Q28 PolarHBondContact O-N 2.93Å; L26-S29 CarbonylContact O-C 3.57Å; L26-S29 PolarHBondContact O-N 3.14Å; L26-Y30 PolarHBondContact O-N 3.46Å; L26-F35 HydrophobicContact CD2-CE2 4.42Å; L26-F35 HydrophobicContact CD2-CZ 4.04Å; L26-Y59 HydrophobicContact CB-CE2 3.86Å; L26-Y59 HydrophobicContact CD1-CD2 4.04Å; L26-Y59 HydrophobicContact CD1-CE2 3.85Å; L26-Y59 HydrophobicContact CG-CE2 4.38Å |
| 27 | N | 83.4 | Confident | 87 | Confident | 90 Ų | 90 | 71.2 Ų | 71.2 | 48% | 0.481 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.8 | -20 | 175.7 | -73.3 | -17.4 | 0 | 0 | 0 | 113.7 | E23 N24 Y30 | E23-N27 WeakPolarHBondContact O-CB 3.42Å; E23-N27 VanDerWaalsContact O-CG 3.23Å; E23-N27 PolarHBondContact O-N 3.35Å; E23-N27 PolarHBondContact O-ND2 3.3Å; N24-N27 PolarHBondContact O-N 2.89Å; N27-Y30 WeakPolarHBondContact O-CD1 3.49Å; N27-Y30 WeakPolarHBondContact O-CE1 3.49Å |
| 28 | Q | 84.2 | Confident | 87.3 | Confident | 145 Ų | 145 | 62.8 Ų | 62.8 | 68% | 0.678 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -81.4 | -22.6 | 169.3 | -71.4 | 172.2 | 16.4 | 0 | 0 | 112.3 | N24 E25 L26 | N24-Q28 WeakPolarHBondContact O-CG 3.3Å; N24-Q28 PolarHBondContact O-N 3Å; N24-Q28 VanDerWaalsContact O-N 3.08Å; E25-Q28 PolarHBondContact O-N 3.18Å; L26-Q28 PolarHBondContact O-N 2.93Å |
| 29 | S | 83.9 | Confident | 87.7 | Confident | 21 Ų | 21 | 58.4 Ų | 58.4 | 15% | 0.147 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -101.6 | -21.9 | -170.6 | -57 | 0 | 0 | 0 | 0 | 114.1 | E25 L26 K31 I32 | E25-S29 PolarHBondContact O-N 3.46Å; E25-S29 PolarHBondContact O-OG 3.11Å; L26-S29 CarbonylContact O-C 3.57Å; L26-S29 PolarHBondContact O-N 3.14Å; S29-K31 PolarHBondContact O-N 3.44Å; S29-K31 VanDerWaalsContact O-N 3.15Å; S29-I32 WeakPolarHBondContact O-CB 3.44Å; S29-I32 WeakPolarHBondContact O-CG1 3.3Å; S29-I32 PolarHBondContact O-N 3.05Å |
| 30 | Y | 84.4 | Confident | 88.1 | Confident | 40 Ų | 40 | 52.2 Ų | 52.2 | 16% | 0.157 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -26.2 | -170.6 | 82.8 | -77.3 | 0 | 0 | 0 | 114.8 | L26 N27 I32 M63 Y67 F82 | L26-Y30 PolarHBondContact O-N 3.46Å; N27-Y30 WeakPolarHBondContact O-CD1 3.49Å; N27-Y30 WeakPolarHBondContact O-CE1 3.49Å; Y30-I32 VanDerWaalsContact C-N 3.3Å; Y30-M63 WeakPolarHBondContact O-CE 3.26Å; Y30-Y67 HydrophobicContact CD2-CE2 4.14Å; Y30-Y67 HydrophobicContact CE2-CE1 4.44Å; Y30-Y67 HydrophobicContact CE2-CE2 4.11Å; Y30-Y67 AromaticContact CE2-CZ 3.87Å; Y30-F82 AromaticContact CD2-CD1 3.89Å; Y30-F82 HydrophobicContact CD2-CD1 3.89Å; Y30-F82 AromaticContact CD2-CE1 3.75Å; Y30-F82 HydrophobicContact CD2-CE1 3.75Å; Y30-F82 HydrophobicContact CD2-CZ 4.37Å; Y30-F82 AromaticContact CE2-CD1 3.6Å; Y30-F82 HydrophobicContact CE2-CD1 3.6Å; Y30-F82 AromaticContact CE2-CE1 3.97Å; Y30-F82 HydrophobicContact CE2-CE1 3.97Å; Y30-F82 HydrophobicContact CE2-CG 4.08Å; Y30-F82 WeakPolarHBondContact O-CZ 3.39Å |
| 31 | K | 85.3 | Confident | 88.5 | Confident | 127 Ų | 127 | 53.9 Ų | 53.9 | 55% | 0.552 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -6.9 | 177.3 | -59.8 | -170.3 | -177.6 | -176.9 | 0 | 114.1 | S29 F82 | S29-K31 PolarHBondContact O-N 3.44Å; S29-K31 VanDerWaalsContact O-N 3.15Å; K31-F82 HydrophobicContact CB-CD2 4.13Å; K31-F82 HydrophobicContact CB-CE2 3.96Å; K31-F82 HydrophobicContact CD-CD2 4.34Å; K31-F82 HydrophobicContact CG-CD2 3.81Å; K31-F82 HydrophobicContact CG-CE2 4.06Å; K31-F82 HydrophobicContact CG-CG 4.17Å |
| 32 | I | 87.8 | Confident | 88.8 | Confident | 87 Ų | 87 | 50.7 Ų | 50.7 | 45% | 0.446 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -80.7 | 131.9 | -175.5 | -56.4 | 172.7 | 0 | 0 | 0 | 109.8 | M1 S29 Y30 F35 | M1-I32 HydrophobicContact CE-CB 3.39Å; M1-I32 HydrophobicContact CE-CD1 4.06Å; M1-I32 HydrophobicContact CE-CG1 4.31Å; M1-I32 HydrophobicContact CE-CG2 3.28Å; S29-I32 WeakPolarHBondContact O-CB 3.44Å; S29-I32 WeakPolarHBondContact O-CG1 3.3Å; S29-I32 PolarHBondContact O-N 3.05Å; Y30-I32 VanDerWaalsContact C-N 3.3Å; I32-F35 WeakPolarHBondContact O-CB 3.45Å; I32-F35 PolarHBondContact O-N 3Å |
| 33 | I | 85.9 | Confident | 89.2 | Confident | 85 Ų | 85 | 50.5 Ų | 50.5 | 44% | 0.436 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 139.2 | 175.3 | -57.2 | 175 | 0 | 0 | 0 | 110.6 | F35 H85 D88 | I33-F35 VanDerWaalsContact C-N 3.33Å; I33-H85 HydrophobicContact CG1-CB 4.42Å; I33-D88 WeakPolarHBondContact CG2-OD1 3.47Å |
| 34 | N | 89.6 | Confident | 89.4 | Confident | 63 Ų | 63 | 49.7 Ų | 49.7 | 34% | 0.337 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 7.7 | -169.1 | -56.7 | -73.3 | 0 | 0 | 0 | 115.7 | S38 D88 Q91 | N34-S38 VanDerWaalsContact O-CB 3.22Å; N34-S38 WeakPolarHBondContact O-CB 3.42Å; N34-S38 PolarHBondContact O-N 3.35Å; N34-S38 VanDerWaalsContact O-N 3.1Å; N34-S38 PolarHBondContact O-OG 2.92Å; N34-D88 WeakPolarHBondContact CA-OD1 3.1Å; N34-D88 VanDerWaalsContact CA-OD2 3.31Å; N34-D88 WeakPolarHBondContact CA-OD2 3.14Å; N34-D88 PolarHBondContact N-OD1 3.4Å; N34-D88 PolarHBondContact N-OD2 3.05Å; N34-Q91 PolarHBondContact OD1-NE2 2.84Å |
| 35 | F | 91.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.1 | -53.7 | 175.1 | -175.8 | -102.4 | 0 | 0 | 0 | 111.5 | M1 I6 L26 I32 I33 S38 L39 Y59 M63 | M1-F35 HydrophobicContact CE-CB 3.8Å; M1-F35 HydrophobicContact CE-CD2 3.9Å; M1-F35 HydrophobicContact CE-CG 4.35Å; M1-F35 HydrophobicContact SD-CB 4.24Å; M1-F35 HydrophobicContact SD-CD2 3.71Å; M1-F35 HydrophobicContact SD-CG 4.45Å; I6-F35 HydrophobicContact CD1-CD2 4.19Å; I6-F35 HydrophobicContact CD1-CE2 4.21Å; I6-F35 HydrophobicContact CG1-CE2 4.3Å; I6-F35 HydrophobicContact CG2-CE2 4.19Å; L26-F35 HydrophobicContact CD2-CE2 4.42Å; L26-F35 HydrophobicContact CD2-CZ 4.04Å; I32-F35 WeakPolarHBondContact O-CB 3.45Å; I32-F35 PolarHBondContact O-N 3Å; I33-F35 VanDerWaalsContact C-N 3.33Å; F35-S38 WeakPolarHBondContact O-CA 3.39Å; F35-S38 WeakPolarHBondContact O-CB 3.42Å; F35-S38 PolarHBondContact O-N 3.03Å; F35-L39 HydrophobicContact CD1-CD1 4.07Å; F35-L39 HydrophobicContact CD1-CG 4.43Å; F35-L39 HydrophobicContact CE1-CD1 3.61Å; F35-L39 HydrophobicContact CE1-CD2 4.43Å; F35-L39 HydrophobicContact CE1-CG 4.1Å; F35-L39 HydrophobicContact CZ-CD1 4.24Å; F35-L39 HydrophobicContact CZ-CD2 4.24Å; F35-L39 HydrophobicContact CZ-CG 4.36Å; F35-L39 PolarHBondContact O-N 3.22Å; F35-Y59 HydrophobicContact CE1-CD1 4.16Å; F35-Y59 AromaticContact CE1-CE1 3.64Å; F35-Y59 HydrophobicContact CE1-CE1 3.64Å; F35-Y59 HydrophobicContact CZ-CE1 4.17Å; F35-M63 HydrophobicContact CD1-CE 4.11Å; F35-M63 HydrophobicContact CD1-SD 3.81Å; F35-M63 HydrophobicContact CE1-SD 4.12Å |
| 36 | A | 92.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.1 | -42.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | S38 L39 L40 L60 M63 I92 | A36-S38 VanDerWaalsContact C-N 3.28Å; A36-S38 PolarHBondContact O-N 3.08Å; A36-L39 WeakPolarHBondContact O-CB 3.34Å; A36-L39 PolarHBondContact O-N 3.29Å; A36-L40 PolarHBondContact O-N 3.32Å; A36-L40 VanDerWaalsContact O-N 3.16Å; A36-L60 HydrophobicContact CB-CD1 4.06Å; A36-M63 HydrophobicContact CB-CE 3.8Å; A36-M63 HydrophobicContact CB-SD 3.87Å; A36-I92 HydrophobicContact CB-CD1 3.68Å |
| 37 | P | 93.9 | Very high | 89.7 | Confident | 7 Ų | 7 | 59.3 Ų | 59.3 | 5% | 0.045 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.6 | -34.2 | 169.7 | -25.5 | 34.5 | 0 | 0 | 0 | 113.6 | L40 R41 D88 Q91 I92 | P37-L40 PolarHBondContact O-N 3.34Å; P37-R41 WeakPolarHBondContact O-CG 3.24Å; P37-R41 PolarHBondContact O-N 2.67Å; P37-D88 WeakPolarHBondContact CD-OD2 3.22Å; P37-D88 HydrophobicContact CG-CB 3.77Å; P37-Q91 HydrophobicContact CB-CB 4.08Å; P37-Q91 HydrophobicContact CG-CB 3.9Å; P37-I92 HydrophobicContact CG-CG1 4.43Å |
| 38 | S | 93.8 | Very high | 90.1 | Very high | 11 Ų | 11 | 55.9 Ų | 55.9 | 8% | 0.077 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.4 | -37.8 | 176 | -63.3 | 0 | 0 | 0 | 0 | 111.9 | N34 F35 A36 R41 I42 | N34-S38 VanDerWaalsContact O-CB 3.22Å; N34-S38 WeakPolarHBondContact O-CB 3.42Å; N34-S38 PolarHBondContact O-N 3.35Å; N34-S38 VanDerWaalsContact O-N 3.1Å; N34-S38 PolarHBondContact O-OG 2.92Å; F35-S38 WeakPolarHBondContact O-CA 3.39Å; F35-S38 WeakPolarHBondContact O-CB 3.42Å; F35-S38 PolarHBondContact O-N 3.03Å; A36-S38 VanDerWaalsContact C-N 3.28Å; A36-S38 PolarHBondContact O-N 3.08Å; S38-R41 PolarHBondContact O-N 3.31Å; S38-I42 WeakPolarHBondContact O-CG1 3.21Å; S38-I42 PolarHBondContact O-N 3.22Å |
| 39 | L | 94.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.6 | -47.6 | 171.3 | -66.3 | 175.3 | 0 | 0 | 0 | 110.8 | I6 L10 F35 A36 R41 I42 I43 A56 Y59 L60 M63 | I6-L39 HydrophobicContact CG2-CD2 3.92Å; L10-L39 HydrophobicContact CD1-CD2 4.07Å; F35-L39 HydrophobicContact CD1-CD1 4.07Å; F35-L39 HydrophobicContact CD1-CG 4.43Å; F35-L39 HydrophobicContact CE1-CD1 3.61Å; F35-L39 HydrophobicContact CE1-CD2 4.43Å; F35-L39 HydrophobicContact CE1-CG 4.1Å; F35-L39 HydrophobicContact CZ-CD1 4.24Å; F35-L39 HydrophobicContact CZ-CD2 4.24Å; F35-L39 HydrophobicContact CZ-CG 4.36Å; F35-L39 PolarHBondContact O-N 3.22Å; A36-L39 WeakPolarHBondContact O-CB 3.34Å; A36-L39 PolarHBondContact O-N 3.29Å; L39-R41 VanDerWaalsContact C-N 3.28Å; L39-R41 PolarHBondContact O-N 3.29Å; L39-I42 WeakPolarHBondContact O-CB 3.31Å; L39-I42 PolarHBondContact O-N 2.98Å; L39-I43 WeakPolarHBondContact O-CD1 3.38Å; L39-I43 WeakPolarHBondContact O-CG1 3.34Å; L39-I43 PolarHBondContact O-N 3.25Å; L39-A56 HydrophobicContact CD2-CB 4.45Å; L39-Y59 HydrophobicContact CD1-CD1 3.66Å; L39-Y59 HydrophobicContact CD1-CE1 4.39Å; L39-Y59 HydrophobicContact CD1-CG 4.47Å; L39-L60 HydrophobicContact CB-CB 4.32Å; L39-L60 HydrophobicContact CB-CD1 4.4Å; L39-L60 HydrophobicContact CD1-CB 4.25Å; L39-L60 HydrophobicContact CD1-CD1 4.39Å; L39-M63 HydrophobicContact CD1-SD 4.47Å |
| 40 | L | 94.3 | Very high | 90.8 | Very high | 7 Ų | 7 | 57.1 Ų | 57.1 | 4% | 0.037 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.9 | -40.9 | 176.9 | -173.4 | 58.9 | 0 | 0 | 0 | 112.2 | A36 P37 I42 I43 V44 L60 N95 I96 L111 | A36-L40 PolarHBondContact O-N 3.32Å; A36-L40 VanDerWaalsContact O-N 3.16Å; P37-L40 PolarHBondContact O-N 3.34Å; L40-I42 PolarHBondContact O-N 3.08Å; L40-I43 PolarHBondContact O-N 3.03Å; L40-V44 HydrophobicContact CD1-CG1 4.43Å; L40-V44 WeakPolarHBondContact O-CG2 3.31Å; L40-V44 PolarHBondContact O-N 3.32Å; L40-V44 VanDerWaalsContact O-N 3.17Å; L40-L60 HydrophobicContact CB-CD2 4.11Å; L40-L60 HydrophobicContact CD1-CD2 4.19Å; L40-N95 HydrophobicContact CD2-CB 3.85Å; L40-I96 HydrophobicContact CD1-CD1 4.05Å; L40-L111 HydrophobicContact CD1-CD2 4.04Å |
| 41 | R | 93.2 | Very high | 91.2 | Very high | 164 Ų | 164 | 58.4 Ų | 58.4 | 62% | 0.619 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -63.3 | -38.4 | 174.7 | -71.3 | 177.2 | 65 | -173.9 | 0.1 | 113.2 | P37 S38 L39 S45 | P37-R41 WeakPolarHBondContact O-CG 3.24Å; P37-R41 PolarHBondContact O-N 2.67Å; S38-R41 PolarHBondContact O-N 3.31Å; L39-R41 VanDerWaalsContact C-N 3.28Å; L39-R41 PolarHBondContact O-N 3.29Å; R41-S45 VanDerWaalsContact O-CB 3.29Å; R41-S45 WeakPolarHBondContact O-CB 3.3Å; R41-S45 PolarHBondContact O-N 2.97Å |
| 42 | I | 94.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.5 | -45.2 | 175 | -69.3 | 165.1 | 0 | 0 | 0 | 109.9 | L3 I6 I7 L10 S38 L39 L40 V44 S45 V48 A56 | L3-I42 HydrophobicContact CD1-CD1 3.93Å; L3-I42 HydrophobicContact CD1-CG1 3.75Å; L3-I42 HydrophobicContact CD2-CG1 4.23Å; L3-I42 HydrophobicContact CG-CD1 4.14Å; L3-I42 HydrophobicContact CG-CG1 3.86Å; I6-I42 HydrophobicContact CB-CD1 3.95Å; I6-I42 HydrophobicContact CG2-CD1 3.72Å; I7-I42 HydrophobicContact CD1-CG1 4.36Å; I7-I42 HydrophobicContact CG1-CD1 3.89Å; I7-I42 HydrophobicContact CG1-CG1 4.02Å; I7-I42 HydrophobicContact CG1-CG2 4.23Å; L10-I42 HydrophobicContact CD1-CD1 4.27Å; L10-I42 HydrophobicContact CD1-CG2 4.44Å; S38-I42 WeakPolarHBondContact O-CG1 3.21Å; S38-I42 PolarHBondContact O-N 3.22Å; L39-I42 WeakPolarHBondContact O-CB 3.31Å; L39-I42 PolarHBondContact O-N 2.98Å; L40-I42 PolarHBondContact O-N 3.08Å; I42-V44 VanDerWaalsContact C-N 3.33Å; I42-V44 PolarHBondContact O-N 3.42Å; I42-S45 PolarHBondContact O-N 3.33Å; I42-V48 HydrophobicContact CG2-CG1 4.07Å; I42-V48 HydrophobicContact CG2-CG2 4.34Å; I42-A56 HydrophobicContact CG2-CB 4.02Å |
| 43 | I | 94.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.2 | -43.1 | -177.6 | -67.2 | 163.3 | 0 | 0 | 0 | 111.9 | L39 L40 R53 A56 A57 L60 V107 L111 | L39-I43 WeakPolarHBondContact O-CD1 3.38Å; L39-I43 WeakPolarHBondContact O-CG1 3.34Å; L39-I43 PolarHBondContact O-N 3.25Å; L40-I43 PolarHBondContact O-N 3.03Å; I43-R53 PolarHBondContact O-NE 3.24Å; I43-R53 PolarHBondContact O-NH2 3.23Å; I43-A56 HydrophobicContact CD1-CB 4.27Å; I43-A56 HydrophobicContact CG1-CB 3.58Å; I43-A57 VanDerWaalsContact CD1-CA 3.42Å; I43-A57 HydrophobicContact CD1-CB 3.87Å; I43-A57 HydrophobicContact CG1-CB 4.05Å; I43-A57 HydrophobicContact CG2-CB 4.29Å; I43-L60 HydrophobicContact CD1-CB 4.09Å; I43-L60 HydrophobicContact CD1-CD2 3.68Å; I43-V107 HydrophobicContact CG2-CG1 3.24Å; I43-L111 HydrophobicContact CD1-CD2 4.05Å; I43-L111 HydrophobicContact CG2-CD1 4.04Å; I43-L111 HydrophobicContact CG2-CD2 4.28Å; I43-L111 HydrophobicContact CG2-CG 4.4Å |
| 44 | V | 90.4 | Very high | 92.2 | Very high | 54 Ų | 54 | 48.2 Ų | 48.2 | 33% | 0.327 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -2.5 | -177.4 | -56 | 0 | 0 | 0 | 0 | 113.9 | L40 I42 | L40-V44 HydrophobicContact CD1-CG1 4.43Å; L40-V44 WeakPolarHBondContact O-CG2 3.31Å; L40-V44 PolarHBondContact O-N 3.32Å; L40-V44 VanDerWaalsContact O-N 3.17Å; I42-V44 VanDerWaalsContact C-N 3.33Å; I42-V44 PolarHBondContact O-N 3.42Å |
| 45 | S | 90.9 | Very high | 92.4 | Very high | 29 Ų | 29 | 46 Ų | 46 | 20% | 0.203 | 23% | 0.229 | C | C | . | . | trans | -84.1 | 120.9 | -177.6 | 171.7 | 0 | 0 | 0 | 0 | 111.9 | R41 I42 H47 V48 R53 | R41-S45 VanDerWaalsContact O-CB 3.29Å; R41-S45 WeakPolarHBondContact O-CB 3.3Å; R41-S45 PolarHBondContact O-N 2.97Å; I42-S45 PolarHBondContact O-N 3.33Å; S45-H47 PolarHBondContact O-N 3.26Å; S45-H47 PolarHBondContact OG-N 3.42Å; S45-V48 PolarHBondContact O-N 3.5Å; S45-R53 WeakPolarHBondContact O-CD 3.39Å | ||
| 46 | D | 86.7 | Confident | 92.5 | Very high | 132 Ų | 132 | 46 Ų | 46 | 71% | 0.706 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -10.3 | 175.2 | -63.7 | -37.9 | 0 | 0 | 0 | 113.6 | V48 R53 | D46-V48 VanDerWaalsContact C-N 3.33Å; D46-R53 IonicContact OD1-CZ 3.55Å; D46-R53 IonicContact OD1-NH1 3.6Å; D46-R53 PolarHBondContact OD1-NH1 3.04Å; D46-R53 IonicContact OD1-NH2 3.89Å |
| 47 | H | 89.1 | Confident | 92.6 | Very high | 184 Ų | 184 | 46 Ų | 46 | 85% | 0.852 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84 | -5 | 176.2 | -58.8 | -57.5 | 0 | 0 | 0 | 114 | S45 | S45-H47 PolarHBondContact O-N 3.26Å; S45-H47 PolarHBondContact OG-N 3.42Å |
| 48 | V | 91.5 | Very high | 92.6 | Very high | 17 Ų | 17 | 48.7 Ų | 48.7 | 10% | 0.103 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -104.9 | 138.1 | -179.5 | -178.9 | 0 | 0 | 0 | 0 | 109.7 | I7 I42 S45 D46 V52 R53 | I7-V48 HydrophobicContact CD1-CG2 3.83Å; I7-V48 HydrophobicContact CG1-CG2 4.45Å; I42-V48 HydrophobicContact CG2-CG1 4.07Å; I42-V48 HydrophobicContact CG2-CG2 4.34Å; S45-V48 PolarHBondContact O-N 3.5Å; D46-V48 VanDerWaalsContact C-N 3.33Å; V48-V52 HydrophobicContact CG1-CB 3.84Å; V48-V52 HydrophobicContact CG1-CG1 3.86Å; V48-R53 HydrophobicContact CB-CG 3.96Å; V48-R53 HydrophobicContact CG1-CG 3.96Å; V48-R53 WeakPolarHBondContact O-CD 3.34Å |
| 49 | E | 92.3 | Very high | 92.6 | Very high | 113 Ų | 113 | 50.6 Ų | 50.6 | 53% | 0.528 | 25% | 0.248 | S | C | . | . | trans | -56.7 | 138.7 | 177 | -65.7 | 174.7 | 175 | 0 | 0 | 111.4 | K11 V52 R53 | K11-E49 IonicContact NZ-OE1 2.87Å; K11-E49 PolarHBondContact NZ-OE1 3.02Å; K11-E49 IonicContact NZ-OE2 2.64Å; K11-E49 PolarHBondContact NZ-OE2 3.37Å; E49-V52 HydrophobicContact CB-CG2 4.4Å; E49-V52 WeakPolarHBondContact O-CB 3.42Å; E49-V52 PolarHBondContact O-N 3.08Å; E49-V52 VanDerWaalsContact O-N 3.08Å; E49-R53 PolarHBondContact O-N 2.86Å; E49-R53 VanDerWaalsContact O-N 3.13Å | ||
| 50 | F | 91.6 | Very high | 92.6 | Very high | 80 Ų | 80 | 50.6 Ų | 50.6 | 35% | 0.351 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -54.8 | -44.6 | -174.6 | 178.5 | -93.5 | 0 | 0 | 0 | 114.8 | V52 R53 Q54 P104 L106 V107 | F50-V52 PolarHBondContact O-N 3.31Å; F50-R53 WeakPolarHBondContact O-CB 3.19Å; F50-R53 PolarHBondContact O-N 3.45Å; F50-R53 VanDerWaalsContact O-N 3.09Å; F50-Q54 PolarHBondContact O-N 3.28Å; F50-P104 HydrophobicContact CD2-CG 4.2Å; F50-P104 HydrophobicContact CE2-CB 4.22Å; F50-P104 HydrophobicContact CE2-CG 3.57Å; F50-L106 HydrophobicContact CE1-CD1 3.98Å; F50-L106 HydrophobicContact CZ-CB 4.02Å; F50-L106 HydrophobicContact CZ-CD1 3.82Å; F50-L106 HydrophobicContact CZ-CG 4.4Å; F50-V107 HydrophobicContact CE2-CG2 4.26Å |
| 51 | P | 92.9 | Very high | 92.7 | Very high | 67 Ų | 67 | 52.8 Ų | 52.8 | 44% | 0.435 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.4 | -36.4 | 177.7 | -25.7 | 35.8 | 0 | 0 | 0 | 113 | I14 Q54 A55 | I14-P51 HydrophobicContact CD1-CB 3.84Å; P51-Q54 PolarHBondContact O-N 3.41Å; P51-A55 PolarHBondContact O-N 2.73Å |
| 52 | V | 93.4 | Very high | 92.6 | Very high | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -71.7 | -37.9 | 178.1 | -176.9 | 0 | 0 | 0 | 0 | 111 | I7 L10 K11 V48 E49 F50 Q54 A55 A56 | I7-V52 HydrophobicContact CG2-CG1 4.25Å; L10-V52 HydrophobicContact CB-CG1 3.77Å; L10-V52 HydrophobicContact CD1-CG1 4.3Å; K11-V52 HydrophobicContact CB-CG2 4.01Å; K11-V52 HydrophobicContact CG-CG2 4.29Å; V48-V52 HydrophobicContact CG1-CB 3.84Å; V48-V52 HydrophobicContact CG1-CG1 3.86Å; E49-V52 HydrophobicContact CB-CG2 4.4Å; E49-V52 WeakPolarHBondContact O-CB 3.42Å; E49-V52 PolarHBondContact O-N 3.08Å; E49-V52 VanDerWaalsContact O-N 3.08Å; F50-V52 PolarHBondContact O-N 3.31Å; V52-Q54 VanDerWaalsContact C-N 3.32Å; V52-Q54 PolarHBondContact O-N 3.08Å; V52-A55 PolarHBondContact O-N 3.42Å; V52-A56 WeakPolarHBondContact O-CB 3.39Å; V52-A56 PolarHBondContact O-N 2.93Å |
| 53 | R | 94.3 | Very high | 92.5 | Very high | 24 Ų | 24 | 49.1 Ų | 49.1 | 9% | 0.091 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62 | -40.7 | 173.1 | -64.8 | 170.7 | 60.2 | 173.1 | 4 | 111.5 | I43 S45 D46 V48 E49 F50 A56 A57 | I43-R53 PolarHBondContact O-NE 3.24Å; I43-R53 PolarHBondContact O-NH2 3.23Å; S45-R53 WeakPolarHBondContact O-CD 3.39Å; D46-R53 IonicContact OD1-CZ 3.55Å; D46-R53 IonicContact OD1-NH1 3.6Å; D46-R53 PolarHBondContact OD1-NH1 3.04Å; D46-R53 IonicContact OD1-NH2 3.89Å; V48-R53 HydrophobicContact CB-CG 3.96Å; V48-R53 HydrophobicContact CG1-CG 3.96Å; V48-R53 WeakPolarHBondContact O-CD 3.34Å; E49-R53 PolarHBondContact O-N 2.86Å; E49-R53 VanDerWaalsContact O-N 3.13Å; F50-R53 WeakPolarHBondContact O-CB 3.19Å; F50-R53 PolarHBondContact O-N 3.45Å; F50-R53 VanDerWaalsContact O-N 3.09Å; R53-A56 PolarHBondContact O-N 3.46Å; R53-A57 PolarHBondContact O-N 3.11Å |
| 54 | Q | 92.8 | Very high | 92.5 | Very high | 58 Ų | 58 | 49.2 Ų | 49.2 | 27% | 0.271 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -66.4 | -46.4 | 176.5 | -174.4 | 175.8 | -3.5 | 0 | 0 | 111.6 | F50 P51 V52 A56 A57 I58 | F50-Q54 PolarHBondContact O-N 3.28Å; P51-Q54 PolarHBondContact O-N 3.41Å; V52-Q54 VanDerWaalsContact C-N 3.32Å; V52-Q54 PolarHBondContact O-N 3.08Å; Q54-A56 VanDerWaalsContact C-N 3.33Å; Q54-A56 PolarHBondContact O-N 2.72Å; Q54-A57 PolarHBondContact O-N 3Å; Q54-A57 VanDerWaalsContact O-N 3.14Å; Q54-I58 HydrophobicContact CG-CD1 4.2Å; Q54-I58 WeakPolarHBondContact O-CG1 3.31Å; Q54-I58 PolarHBondContact O-N 3.01Å |
| 55 | A | 92.9 | Very high | 92.4 | Very high | 17 Ų | 17 | 50.4 Ų | 50.4 | 14% | 0.14 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.7 | -43 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | L10 I14 P51 V52 A57 I58 Y59 | L10-A55 HydrophobicContact CD2-CB 4.47Å; I14-A55 HydrophobicContact CD1-CB 4.16Å; I14-A55 HydrophobicContact CG1-CB 4.37Å; P51-A55 PolarHBondContact O-N 2.73Å; V52-A55 PolarHBondContact O-N 3.42Å; A55-A57 VanDerWaalsContact C-N 3.32Å; A55-A57 PolarHBondContact O-N 3Å; A55-I58 PolarHBondContact O-N 3.31Å; A55-Y59 WeakPolarHBondContact O-CB 3.27Å; A55-Y59 PolarHBondContact O-N 2.81Å |
| 56 | A | 94.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.5 | -41 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L10 L39 I42 I43 V52 R53 Q54 Y59 L60 | L10-A56 HydrophobicContact CD1-CB 3.73Å; L39-A56 HydrophobicContact CD2-CB 4.45Å; I42-A56 HydrophobicContact CG2-CB 4.02Å; I43-A56 HydrophobicContact CD1-CB 4.27Å; I43-A56 HydrophobicContact CG1-CB 3.58Å; V52-A56 WeakPolarHBondContact O-CB 3.39Å; V52-A56 PolarHBondContact O-N 2.93Å; R53-A56 PolarHBondContact O-N 3.46Å; Q54-A56 VanDerWaalsContact C-N 3.33Å; Q54-A56 PolarHBondContact O-N 2.72Å; A56-Y59 PolarHBondContact O-N 2.99Å; A56-L60 WeakPolarHBondContact O-CB 3.38Å; A56-L60 PolarHBondContact O-N 3.02Å |
| 57 | A | 94.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.7 | -39.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | I43 R53 Q54 A55 K61 V107 Q110 | I43-A57 VanDerWaalsContact CD1-CA 3.42Å; I43-A57 HydrophobicContact CD1-CB 3.87Å; I43-A57 HydrophobicContact CG1-CB 4.05Å; I43-A57 HydrophobicContact CG2-CB 4.29Å; R53-A57 PolarHBondContact O-N 3.11Å; Q54-A57 PolarHBondContact O-N 3Å; Q54-A57 VanDerWaalsContact O-N 3.14Å; A55-A57 VanDerWaalsContact C-N 3.32Å; A55-A57 PolarHBondContact O-N 3Å; A57-K61 WeakPolarHBondContact O-CB 3.22Å; A57-K61 PolarHBondContact O-N 2.95Å; A57-V107 HydrophobicContact CB-CG1 4.15Å; A57-Q110 HydrophobicContact CB-CB 3.91Å; A57-Q110 HydrophobicContact CB-CG 4.34Å |
| 58 | I | 92.9 | Very high | 92.6 | Very high | 62 Ų | 62 | 39.9 Ų | 39.9 | 32% | 0.318 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.6 | -45.1 | 173.9 | -65 | 166.4 | 0 | 0 | 0 | 110.1 | Q54 A55 K61 N62 Q110 | Q54-I58 HydrophobicContact CG-CD1 4.2Å; Q54-I58 WeakPolarHBondContact O-CG1 3.31Å; Q54-I58 PolarHBondContact O-N 3.01Å; A55-I58 PolarHBondContact O-N 3.31Å; I58-K61 WeakPolarHBondContact O-CB 3.38Å; I58-K61 PolarHBondContact O-N 3.29Å; I58-N62 PolarHBondContact O-N 2.92Å; I58-N62 PolarHBondContact O-OD1 3.22Å; I58-Q110 HydrophobicContact CG1-CG 4.09Å |
| 59 | Y | 93.9 | Very high | 92.4 | Very high | 51 Ų | 51 | 40.5 Ų | 40.5 | 20% | 0.2 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.3 | -46.3 | 177.8 | -162 | -73.6 | 0 | 0 | 0 | 111.6 | L26 F35 L39 A55 A56 K61 N62 M63 | L26-Y59 HydrophobicContact CB-CE2 3.86Å; L26-Y59 HydrophobicContact CD1-CD2 4.04Å; L26-Y59 HydrophobicContact CD1-CE2 3.85Å; L26-Y59 HydrophobicContact CG-CE2 4.38Å; F35-Y59 HydrophobicContact CE1-CD1 4.16Å; F35-Y59 AromaticContact CE1-CE1 3.64Å; F35-Y59 HydrophobicContact CE1-CE1 3.64Å; F35-Y59 HydrophobicContact CZ-CE1 4.17Å; L39-Y59 HydrophobicContact CD1-CD1 3.66Å; L39-Y59 HydrophobicContact CD1-CE1 4.39Å; L39-Y59 HydrophobicContact CD1-CG 4.47Å; A55-Y59 WeakPolarHBondContact O-CB 3.27Å; A55-Y59 PolarHBondContact O-N 2.81Å; A56-Y59 PolarHBondContact O-N 2.99Å; Y59-K61 VanDerWaalsContact C-N 3.31Å; Y59-K61 PolarHBondContact O-N 3.49Å; Y59-N62 PolarHBondContact O-N 3.07Å; Y59-M63 HydrophobicContact CE1-SD 4.47Å; Y59-M63 WeakPolarHBondContact O-CB 3.36Å; Y59-M63 PolarHBondContact O-N 3.45Å |
| 60 | L | 95.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.2 | -42 | 177.3 | -178.6 | 62.7 | 0 | 0 | 0 | 111.3 | A36 L39 L40 I43 A56 M63 V64 I92 L111 | A36-L60 HydrophobicContact CB-CD1 4.06Å; L39-L60 HydrophobicContact CB-CB 4.32Å; L39-L60 HydrophobicContact CB-CD1 4.4Å; L39-L60 HydrophobicContact CD1-CB 4.25Å; L39-L60 HydrophobicContact CD1-CD1 4.39Å; L40-L60 HydrophobicContact CB-CD2 4.11Å; L40-L60 HydrophobicContact CD1-CD2 4.19Å; I43-L60 HydrophobicContact CD1-CB 4.09Å; I43-L60 HydrophobicContact CD1-CD2 3.68Å; A56-L60 WeakPolarHBondContact O-CB 3.38Å; A56-L60 PolarHBondContact O-N 3.02Å; L60-M63 PolarHBondContact O-N 3.06Å; L60-V64 HydrophobicContact CD1-CG2 4.06Å; L60-V64 HydrophobicContact CG-CG2 4.34Å; L60-V64 WeakPolarHBondContact O-CB 3.46Å; L60-V64 VanDerWaalsContact O-CG2 3.31Å; L60-V64 WeakPolarHBondContact O-CG2 3.4Å; L60-V64 PolarHBondContact O-N 2.85Å; L60-I92 HydrophobicContact CD1-CD1 4.36Å; L60-L111 HydrophobicContact CD2-CD2 4.21Å |
| 61 | K | 95 | Very high | 90.8 | Very high | 53 Ų | 53 | 42.3 Ų | 42.3 | 23% | 0.23 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.1 | -54.5 | 174.7 | -179.5 | -161 | 67.3 | -178.9 | 0 | 111 | A57 I58 Y59 M63 V64 T65 Q110 M113 C114 | A57-K61 WeakPolarHBondContact O-CB 3.22Å; A57-K61 PolarHBondContact O-N 2.95Å; I58-K61 WeakPolarHBondContact O-CB 3.38Å; I58-K61 PolarHBondContact O-N 3.29Å; Y59-K61 VanDerWaalsContact C-N 3.31Å; Y59-K61 PolarHBondContact O-N 3.49Å; K61-M63 VanDerWaalsContact C-N 3.26Å; K61-M63 PolarHBondContact O-N 3.1Å; K61-V64 PolarHBondContact O-N 3.44Å; K61-T65 WeakPolarHBondContact O-CB 3.49Å; K61-T65 PolarHBondContact O-N 3.31Å; K61-T65 PolarHBondContact O-OG1 3.4Å; K61-T65 VanDerWaalsContact O-OG1 3.06Å; K61-Q110 VanDerWaalsContact NZ-OE1 3.17Å; K61-M113 HydrophobicContact CD-CB 3.86Å; K61-M113 HydrophobicContact CD-CG 4.38Å; K61-M113 HydrophobicContact CG-CB 3.95Å; K61-C114 WeakPolarHBondContact CA-SG 3.42Å |
| 62 | N | 91.8 | Very high | 89.3 | Confident | 84 Ų | 84 | 47.4 Ų | 47.4 | 45% | 0.449 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.3 | -41.3 | -178.6 | -65.2 | -5.3 | 0 | 0 | 0 | 111 | I58 Y59 Q66 | I58-N62 PolarHBondContact O-N 2.92Å; I58-N62 PolarHBondContact O-OD1 3.22Å; Y59-N62 PolarHBondContact O-N 3.07Å; N62-Q66 VanDerWaalsContact O-CB 3.23Å; N62-Q66 WeakPolarHBondContact O-CB 3.44Å; N62-Q66 PolarHBondContact O-N 2.99Å |
| 63 | M | 91.8 | Very high | 87.7 | Confident | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.02 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.4 | -44.5 | 177.9 | -168.1 | -179.5 | 170 | 0 | 0 | 112.5 | Y30 F35 A36 L39 Y59 L60 K61 Y67 F82 I84 | Y30-M63 WeakPolarHBondContact O-CE 3.26Å; F35-M63 HydrophobicContact CD1-CE 4.11Å; F35-M63 HydrophobicContact CD1-SD 3.81Å; F35-M63 HydrophobicContact CE1-SD 4.12Å; A36-M63 HydrophobicContact CB-CE 3.8Å; A36-M63 HydrophobicContact CB-SD 3.87Å; L39-M63 HydrophobicContact CD1-SD 4.47Å; Y59-M63 HydrophobicContact CE1-SD 4.47Å; Y59-M63 WeakPolarHBondContact O-CB 3.36Å; Y59-M63 PolarHBondContact O-N 3.45Å; L60-M63 PolarHBondContact O-N 3.06Å; K61-M63 VanDerWaalsContact C-N 3.26Å; K61-M63 PolarHBondContact O-N 3.1Å; M63-Y67 HydrophobicContact CB-CD2 4.41Å; M63-Y67 HydrophobicContact CG-CD2 3.79Å; M63-Y67 HydrophobicContact CG-CE2 4.39Å; M63-Y67 WeakPolarHBondContact O-CB 3.36Å; M63-Y67 WeakPolarHBondContact O-CD2 3.43Å; M63-Y67 PolarHBondContact O-N 3.43Å; M63-F82 HydrophobicContact CE-CE1 4.06Å; M63-F82 HydrophobicContact CE-CZ 4.11Å; M63-I84 HydrophobicContact CE-CD1 4.25Å; M63-I84 HydrophobicContact CE-CG1 4.06Å; M63-I84 HydrophobicContact CG-CD1 4.1Å |
| 64 | V | 93.5 | Very high | 85.9 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.3 | -47.3 | 176.6 | 169.9 | 0 | 0 | 0 | 0 | 110.5 | L60 K61 Q66 W68 I84 C114 A117 I118 | L60-V64 HydrophobicContact CD1-CG2 4.06Å; L60-V64 HydrophobicContact CG-CG2 4.34Å; L60-V64 WeakPolarHBondContact O-CB 3.46Å; L60-V64 VanDerWaalsContact O-CG2 3.31Å; L60-V64 WeakPolarHBondContact O-CG2 3.4Å; L60-V64 PolarHBondContact O-N 2.85Å; K61-V64 PolarHBondContact O-N 3.44Å; V64-Q66 VanDerWaalsContact C-N 3.27Å; V64-Q66 PolarHBondContact O-N 3.49Å; V64-W68 HydrophobicContact CB-CE3 4.4Å; V64-W68 HydrophobicContact CG1-CB 4.14Å; V64-W68 HydrophobicContact CG1-CD2 4.25Å; V64-W68 HydrophobicContact CG1-CE3 3.9Å; V64-W68 HydrophobicContact CG1-CG 4.37Å; V64-W68 HydrophobicContact CG2-CE3 4.02Å; V64-W68 HydrophobicContact CG2-CZ3 4.31Å; V64-W68 WeakPolarHBondContact O-CB 3.25Å; V64-W68 PolarHBondContact O-N 3.06Å; V64-I84 HydrophobicContact CG2-CD1 4.39Å; V64-C114 HydrophobicContact CG1-CB 4.48Å; V64-A117 HydrophobicContact CG1-CB 3.92Å; V64-I118 HydrophobicContact CG1-CD1 4.39Å; V64-I118 HydrophobicContact CG1-CG1 3.86Å |
| 65 | T | 89.6 | Confident | 83.8 | Confident | 80 Ų | 80 | 55.5 Ų | 55.5 | 49% | 0.491 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.4 | -39.4 | 179.1 | -60.2 | 0 | 0 | 0 | 0 | 111.9 | K61 | K61-T65 WeakPolarHBondContact O-CB 3.49Å; K61-T65 PolarHBondContact O-N 3.31Å; K61-T65 PolarHBondContact O-OG1 3.4Å; K61-T65 VanDerWaalsContact O-OG1 3.06Å |
| 66 | Q | 88 | Confident | 82.2 | Confident | 82 Ų | 82 | 58.9 Ų | 58.9 | 38% | 0.383 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -82.3 | -43 | -176 | -166.1 | 176.6 | 8.1 | 0 | 0 | 113.4 | N62 V64 R71 | N62-Q66 VanDerWaalsContact O-CB 3.23Å; N62-Q66 WeakPolarHBondContact O-CB 3.44Å; N62-Q66 PolarHBondContact O-N 2.99Å; V64-Q66 VanDerWaalsContact C-N 3.27Å; V64-Q66 PolarHBondContact O-N 3.49Å; Q66-R71 VanDerWaalsContact O-CZ 3.27Å; Q66-R71 PolarHBondContact O-NE 3.37Å; Q66-R71 PolarHBondContact O-NH2 3.37Å |
| 67 | Y | 90.6 | Very high | 80.3 | Confident | 40 Ų | 40 | 64.5 Ų | 64.5 | 16% | 0.157 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -117.6 | 5 | -164.3 | -51.1 | -64.4 | 0 | 0 | 0 | 114.6 | Y30 M63 F82 I84 | Y30-Y67 HydrophobicContact CD2-CE2 4.14Å; Y30-Y67 HydrophobicContact CE2-CE1 4.44Å; Y30-Y67 HydrophobicContact CE2-CE2 4.11Å; Y30-Y67 AromaticContact CE2-CZ 3.87Å; M63-Y67 HydrophobicContact CB-CD2 4.41Å; M63-Y67 HydrophobicContact CG-CD2 3.79Å; M63-Y67 HydrophobicContact CG-CE2 4.39Å; M63-Y67 WeakPolarHBondContact O-CB 3.36Å; M63-Y67 WeakPolarHBondContact O-CD2 3.43Å; M63-Y67 PolarHBondContact O-N 3.43Å; Y67-F82 AromaticContact CD1-CD1 3.67Å; Y67-F82 HydrophobicContact CD1-CD1 3.67Å; Y67-F82 HydrophobicContact CD1-CE1 4.42Å; Y67-F82 WeakPolarHBondContact CD1-O 3.4Å; Y67-F82 HydrophobicContact CD2-CD1 4.05Å; Y67-F82 HydrophobicContact CD2-CE1 4.06Å; Y67-F82 HydrophobicContact CE1-CD1 4.03Å; Y67-F82 HydrophobicContact CE2-CD1 4.43Å; Y67-F82 AromaticContact CG-CD1 3.65Å; Y67-F82 HydrophobicContact CG-CD1 3.65Å; Y67-F82 AromaticContact CG-CE1 3.94Å; Y67-F82 HydrophobicContact CG-CE1 3.94Å; Y67-I84 PolarHBondContact O-N 2.98Å |
| 68 | W | 91.9 | Very high | 78.3 | Confident | 2 Ų | 2 | 69.2 Ų | 69.2 | 1% | 0.008 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -78.2 | -40.6 | 169.9 | -157.7 | -79.7 | 0 | 0 | 0 | 113.9 | V64 D70 I84 R89 I92 R93 I118 D122 | V64-W68 HydrophobicContact CB-CE3 4.4Å; V64-W68 HydrophobicContact CG1-CB 4.14Å; V64-W68 HydrophobicContact CG1-CD2 4.25Å; V64-W68 HydrophobicContact CG1-CE3 3.9Å; V64-W68 HydrophobicContact CG1-CG 4.37Å; V64-W68 HydrophobicContact CG2-CE3 4.02Å; V64-W68 HydrophobicContact CG2-CZ3 4.31Å; V64-W68 WeakPolarHBondContact O-CB 3.25Å; V64-W68 PolarHBondContact O-N 3.06Å; W68-D70 PolarHBondContact O-N 3.18Å; W68-I84 HydrophobicContact CE3-CD1 3.99Å; W68-R89 HydrophobicContact CD2-CG 4.24Å; W68-R89 HydrophobicContact CE3-CG 4.1Å; W68-R89 VanDerWaalsContact CH2-CA 3.4Å; W68-R89 HydrophobicContact CH2-CB 3.49Å; W68-R89 VanDerWaalsContact CH2-CB 3.49Å; W68-R89 HydrophobicContact CH2-CG 3.7Å; W68-R89 HydrophobicContact CZ2-CB 3.65Å; W68-R89 HydrophobicContact CZ2-CG 3.8Å; W68-R89 HydrophobicContact CZ3-CB 4.09Å; W68-R89 HydrophobicContact CZ3-CG 3.84Å; W68-R89 PolarHBondContact O-NH2 2.61Å; W68-I92 HydrophobicContact CH2-CB 4.15Å; W68-I92 HydrophobicContact CH2-CG2 4.19Å; W68-I92 HydrophobicContact CZ3-CB 4.25Å; W68-I92 HydrophobicContact CZ3-CD1 3.92Å; W68-I92 HydrophobicContact CZ3-CG2 4.17Å; W68-R93 HydrophobicContact CH2-CG 4.28Å; W68-R93 HydrophobicContact CZ2-CG 4.12Å; W68-I118 HydrophobicContact CD2-CG1 3.9Å; W68-I118 HydrophobicContact CE3-CG1 4.05Å; W68-I118 HydrophobicContact CH2-CD1 3.91Å; W68-I118 HydrophobicContact CH2-CG1 3.84Å; W68-I118 HydrophobicContact CH2-CG2 4.35Å; W68-I118 HydrophobicContact CZ2-CB 4.24Å; W68-I118 HydrophobicContact CZ2-CD1 4.24Å; W68-I118 HydrophobicContact CZ2-CG1 3.72Å; W68-I118 HydrophobicContact CZ2-CG2 3.67Å; W68-I118 HydrophobicContact CZ3-CD1 4.1Å; W68-I118 HydrophobicContact CZ3-CG1 4.02Å; W68-D122 WeakPolarHBondContact CZ2-OD2 3.38Å; W68-D122 VanDerWaalsContact NE1-CG 3.31Å; W68-D122 PolarHBondContact NE1-OD1 3.29Å; W68-D122 PolarHBondContact NE1-OD2 3.32Å; W68-D122 VanDerWaalsContact NE1-OD2 3.12Å |
| 69 | P | 87.1 | Confident | 76.8 | Confident | 30 Ų | 30 | 72.5 Ų | 72.5 | 20% | 0.195 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -64 | 135.4 | 172.9 | -14.5 | 27.8 | 0 | 0 | 0 | 110.1 | R71 N83 | P69-R71 PolarHBondContact O-N 3.22Å; P69-N83 PolarHBondContact O-OD1 3.39Å |
| 70 | D | 79.7 | Confident | 75.3 | Confident | 114 Ų | 114 | 77.9 Ų | 77.9 | 61% | 0.61 | 43% | 0.434 | S | S | * | . | trans | -71.8 | 100.7 | 174.1 | -66.9 | -31.2 | 0 | 0 | 0 | 108.9 | W68 R89 | W68-D70 PolarHBondContact O-N 3.18Å; D70-R89 IonicContact OD1-CZ 2.99Å; D70-R89 IonicContact OD1-NH1 3.55Å; D70-R89 PolarHBondContact OD1-NH1 3.23Å; D70-R89 IonicContact OD1-NH2 3.8Å; D70-R89 PolarHBondContact OD1-NH2 3.42Å; D70-R89 IonicContact OD2-NH1 3.68Å | ||
| 71 | R | 69.6 | Low | 74.3 | Confident | 117 Ų | 117 | 79.7 Ų | 79.7 | 44% | 0.442 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -80.9 | 129.7 | 176.8 | -63.8 | 179.8 | -172.7 | -145.9 | -7.1 | 109.9 | Q66 P69 P81 | Q66-R71 VanDerWaalsContact O-CZ 3.27Å; Q66-R71 PolarHBondContact O-NE 3.37Å; Q66-R71 PolarHBondContact O-NH2 3.37Å; P69-R71 PolarHBondContact O-N 3.22Å; R71-P81 HydrophobicContact CB-CB 3.95Å; R71-P81 HydrophobicContact CB-CG 3.37Å; R71-P81 WeakPolarHBondContact O-CG 3.21Å |
| 72 | E | 63 | Low | 73.7 | Confident | 174 Ų | 174 | 79.3 Ų | 79.3 | 81% | 0.813 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -81 | 148.8 | 167.3 | -65.6 | -169.8 | 169.9 | 0 | 0 | 109.9 | ||
| 73 | P | 59.5 | Low | 73.4 | Confident | 43 Ų | 43 | 77.6 Ų | 77.6 | 28% | 0.279 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -66 | 140.8 | 173.2 | 26.9 | -31.6 | 0 | 0 | 0 | 110.2 | E77 F80 | P73-E77 WeakPolarHBondContact CB-O 3.14Å; P73-F80 HydrophobicContact CG-CD1 4.39Å; P73-F80 HydrophobicContact CG-CE1 4.28Å |
| 74 | P | 56.9 | Low | 73.3 | Confident | 73 Ų | 73 | 77.6 Ų | 77.6 | 47% | 0.474 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -52.5 | 142.4 | 170.8 | -22.9 | 31.4 | 0 | 0 | 0 | 111 | G76 E77 | P74-G76 PolarHBondContact O-N 3.03Å; P74-E77 PolarHBondContact O-N 3.46Å |
| 75 | P | 48.4 | Very low | 73.2 | Confident | 138 Ų | 138 | 82.2 Ų | 82.2 | 90% | 0.896 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 110 | 178.5 | -21.4 | 31.3 | 0 | 0 | 0 | 111 | ||
| 76 | G | 59.6 | Low | 73.2 | Confident | 88 Ų | 88 | 82.7 Ų | 82.7 | 91% | 0.907 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 115.2 | -14.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | P74 | P74-G76 PolarHBondContact O-N 3.03Š|
| 77 | E | 54.3 | Low | 73.4 | Confident | 118 Ų | 118 | 82.7 Ų | 82.7 | 55% | 0.551 | 46% | 0.456 | S | S | * | . | trans | -97.6 | 127.1 | 172.8 | -68.7 | -165.8 | 168.6 | 0 | 0 | 111.7 | P73 P74 I79 | P73-E77 WeakPolarHBondContact CB-O 3.14Å; P74-E77 PolarHBondContact O-N 3.46Å; E77-I79 VanDerWaalsContact C-N 3.25Å; E77-I79 PolarHBondContact O-N 3.37Å | ||
| 78 | A | 52 | Low | 73.6 | Confident | 99 Ų | 99 | 81 Ų | 81 | 82% | 0.818 | 45% | 0.45 | S | S | * | . | trans | -83.6 | 3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 79 | I | 61.2 | Low | 73.7 | Confident | 131 Ų | 131 | 81.6 Ų | 81.6 | 67% | 0.672 | 45% | 0.452 | S | S | * | . | trans | -95.6 | 109.4 | -175 | -58.3 | 169.3 | 0 | 0 | 0 | 108.6 | E77 | E77-I79 VanDerWaalsContact C-N 3.25Å; E77-I79 PolarHBondContact O-N 3.37Å | ||
| 80 | F | 62 | Low | 74.1 | Confident | 164 Ų | 164 | 83.3 Ų | 83.3 | 72% | 0.719 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 126.9 | 170.8 | -74.9 | -85.2 | 0 | 0 | 0 | 110 | P73 | P73-F80 HydrophobicContact CG-CD1 4.39Å; P73-F80 HydrophobicContact CG-CE1 4.28Å |
| 81 | P | 73.9 | Confident | 74.8 | Confident | 38 Ų | 38 | 80.8 Ų | 80.8 | 25% | 0.247 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 147.9 | 173.2 | 25.4 | -33.1 | 0 | 0 | 0 | 110 | R71 N83 | R71-P81 HydrophobicContact CB-CB 3.95Å; R71-P81 HydrophobicContact CB-CG 3.37Å; R71-P81 WeakPolarHBondContact O-CG 3.21Å; P81-N83 PolarHBondContact O-N 3.47Å |
| 82 | F | 82.9 | Confident | 76 | Confident | 46 Ų | 46 | 75.2 Ų | 75.2 | 20% | 0.202 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 124.6 | 178.7 | 169.1 | -101.3 | 0 | 0 | 0 | 110.1 | Y30 K31 M63 Y67 I84 | Y30-F82 AromaticContact CD2-CD1 3.89Å; Y30-F82 HydrophobicContact CD2-CD1 3.89Å; Y30-F82 AromaticContact CD2-CE1 3.75Å; Y30-F82 HydrophobicContact CD2-CE1 3.75Å; Y30-F82 HydrophobicContact CD2-CZ 4.37Å; Y30-F82 AromaticContact CE2-CD1 3.6Å; Y30-F82 HydrophobicContact CE2-CD1 3.6Å; Y30-F82 AromaticContact CE2-CE1 3.97Å; Y30-F82 HydrophobicContact CE2-CE1 3.97Å; Y30-F82 HydrophobicContact CE2-CG 4.08Å; Y30-F82 WeakPolarHBondContact O-CZ 3.39Å; K31-F82 HydrophobicContact CB-CD2 4.13Å; K31-F82 HydrophobicContact CB-CE2 3.96Å; K31-F82 HydrophobicContact CD-CD2 4.34Å; K31-F82 HydrophobicContact CG-CD2 3.81Å; K31-F82 HydrophobicContact CG-CE2 4.06Å; K31-F82 HydrophobicContact CG-CG 4.17Å; M63-F82 HydrophobicContact CE-CE1 4.06Å; M63-F82 HydrophobicContact CE-CZ 4.11Å; Y67-F82 AromaticContact CD1-CD1 3.67Å; Y67-F82 HydrophobicContact CD1-CD1 3.67Å; Y67-F82 HydrophobicContact CD1-CE1 4.42Å; Y67-F82 WeakPolarHBondContact CD1-O 3.4Å; Y67-F82 HydrophobicContact CD2-CD1 4.05Å; Y67-F82 HydrophobicContact CD2-CE1 4.06Å; Y67-F82 HydrophobicContact CE1-CD1 4.03Å; Y67-F82 HydrophobicContact CE2-CD1 4.43Å; Y67-F82 AromaticContact CG-CD1 3.65Å; Y67-F82 HydrophobicContact CG-CD1 3.65Å; Y67-F82 AromaticContact CG-CE1 3.94Å; Y67-F82 HydrophobicContact CG-CE1 3.94Å; F82-I84 HydrophobicContact CE1-CG1 4.49Å |
| 83 | N | 86.9 | Confident | 77.6 | Confident | 48 Ų | 48 | 67.6 Ų | 67.6 | 26% | 0.257 | 39% | 0.385 | S | S | . | . | trans | -117.3 | 146 | 171.2 | -64.9 | -27.4 | 0 | 0 | 0 | 109.3 | P69 P81 H85 | P69-N83 PolarHBondContact O-OD1 3.39Å; P81-N83 PolarHBondContact O-N 3.47Å; N83-H85 PolarHBondContact O-N 3.05Å | ||
| 84 | I | 89.3 | Confident | 79.2 | Confident | 3 Ų | 3 | 68.6 Ų | 68.6 | 2% | 0.015 | 39% | 0.388 | C | S | . | . | trans | -62.3 | 125.9 | 175.4 | -58.5 | 179.5 | 0 | 0 | 0 | 108.6 | M63 V64 Y67 W68 F82 D88 R89 | M63-I84 HydrophobicContact CE-CD1 4.25Å; M63-I84 HydrophobicContact CE-CG1 4.06Å; M63-I84 HydrophobicContact CG-CD1 4.1Å; V64-I84 HydrophobicContact CG2-CD1 4.39Å; Y67-I84 PolarHBondContact O-N 2.98Å; W68-I84 HydrophobicContact CE3-CD1 3.99Å; F82-I84 HydrophobicContact CE1-CG1 4.49Å; I84-D88 HydrophobicContact CG2-CB 3.8Å; I84-R89 HydrophobicContact CB-CG 4.17Å; I84-R89 HydrophobicContact CG2-CG 3.92Å; I84-R89 PolarHBondContact O-NE 3.08Å | ||
| 85 | H | 90.8 | Very high | 81 | Confident | 99 Ų | 99 | 69.1 Ų | 69.1 | 46% | 0.458 | 39% | 0.387 | S | S | . | . | trans | -59.5 | 141.5 | -177.9 | -172.7 | -81.4 | 0 | 0 | 0 | 111.9 | I33 N83 N87 D88 R89 | I33-H85 HydrophobicContact CG1-CB 4.42Å; N83-H85 PolarHBondContact O-N 3.05Å; H85-N87 VanDerWaalsContact C-N 3.31Å; H85-N87 WeakPolarHBondContact ND1-CB 3.47Å; H85-N87 PolarHBondContact ND1-N 3.44Å; H85-N87 VanDerWaalsContact ND1-N 3.18Å; H85-N87 PolarHBondContact O-N 2.96Å; H85-D88 WeakPolarHBondContact O-CA 3.47Å; H85-D88 WeakPolarHBondContact O-CB 3.18Å; H85-D88 PolarHBondContact O-N 2.69Å; H85-R89 PolarHBondContact O-N 3.42Å | ||
| 86 | E | 90.8 | Very high | 83.3 | Confident | 90 Ų | 90 | 62.6 Ų | 62.6 | 42% | 0.421 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -57.9 | -37.8 | -173.3 | -176 | 50.5 | -139.5 | 0 | 0 | 113.9 | D88 R89 Q90 R93 | E86-D88 VanDerWaalsContact C-N 3.26Å; E86-D88 PolarHBondContact O-N 2.84Å; E86-R89 WeakPolarHBondContact O-CB 3.46Å; E86-R89 PolarHBondContact O-N 3.33Å; E86-R89 VanDerWaalsContact O-N 3.17Å; E86-R89 WeakPolarHBondContact OE2-CD 3.47Å; E86-Q90 WeakPolarHBondContact O-CB 3.43Å; E86-Q90 PolarHBondContact O-N 3.03Å; E86-R93 IonicContact OE1-CZ 3.55Å; E86-R93 IonicContact OE1-NH2 3.56Å; E86-R93 PolarHBondContact OE1-NH2 3.5Å |
| 87 | N | 92.1 | Very high | 84.9 | Confident | 82 Ų | 82 | 58.4 Ų | 58.4 | 44% | 0.439 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.7 | -35.4 | 173.1 | -175.4 | 52.9 | 0 | 0 | 0 | 113.4 | H85 Q91 | H85-N87 VanDerWaalsContact C-N 3.31Å; H85-N87 WeakPolarHBondContact ND1-CB 3.47Å; H85-N87 PolarHBondContact ND1-N 3.44Å; H85-N87 VanDerWaalsContact ND1-N 3.18Å; H85-N87 PolarHBondContact O-N 2.96Å; N87-Q91 PolarHBondContact ND2-NE2 3.14Å; N87-Q91 WeakPolarHBondContact O-CG 3.4Å; N87-Q91 PolarHBondContact O-N 3.42Å |
| 88 | D | 94 | Very high | 86.8 | Confident | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -75.6 | -40.4 | 176.2 | -77.1 | 16.9 | 0 | 0 | 0 | 110.2 | I33 N34 P37 I84 H85 E86 Q90 Q91 I92 | I33-D88 WeakPolarHBondContact CG2-OD1 3.47Å; N34-D88 WeakPolarHBondContact CA-OD1 3.1Å; N34-D88 VanDerWaalsContact CA-OD2 3.31Å; N34-D88 WeakPolarHBondContact CA-OD2 3.14Å; N34-D88 PolarHBondContact N-OD1 3.4Å; N34-D88 PolarHBondContact N-OD2 3.05Å; P37-D88 WeakPolarHBondContact CD-OD2 3.22Å; P37-D88 HydrophobicContact CG-CB 3.77Å; I84-D88 HydrophobicContact CG2-CB 3.8Å; H85-D88 WeakPolarHBondContact O-CA 3.47Å; H85-D88 WeakPolarHBondContact O-CB 3.18Å; H85-D88 PolarHBondContact O-N 2.69Å; E86-D88 VanDerWaalsContact C-N 3.26Å; E86-D88 PolarHBondContact O-N 2.84Å; D88-Q90 PolarHBondContact O-N 3.01Å; D88-Q91 PolarHBondContact O-N 3.26Å; D88-I92 WeakPolarHBondContact O-CG1 3.37Å; D88-I92 PolarHBondContact O-N 2.83Å |
| 89 | R | 94.6 | Very high | 88.7 | Confident | 14 Ų | 14 | 49.9 Ų | 49.9 | 5% | 0.053 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.2 | -49.7 | 173.5 | -66.2 | -171.9 | -177.6 | 168.3 | -0.3 | 110.7 | W68 D70 I84 H85 E86 Q91 I92 R93 | W68-R89 HydrophobicContact CD2-CG 4.24Å; W68-R89 HydrophobicContact CE3-CG 4.1Å; W68-R89 VanDerWaalsContact CH2-CA 3.4Å; W68-R89 HydrophobicContact CH2-CB 3.49Å; W68-R89 VanDerWaalsContact CH2-CB 3.49Å; W68-R89 HydrophobicContact CH2-CG 3.7Å; W68-R89 HydrophobicContact CZ2-CB 3.65Å; W68-R89 HydrophobicContact CZ2-CG 3.8Å; W68-R89 HydrophobicContact CZ3-CB 4.09Å; W68-R89 HydrophobicContact CZ3-CG 3.84Å; W68-R89 PolarHBondContact O-NH2 2.61Å; D70-R89 IonicContact OD1-CZ 2.99Å; D70-R89 IonicContact OD1-NH1 3.55Å; D70-R89 PolarHBondContact OD1-NH1 3.23Å; D70-R89 IonicContact OD1-NH2 3.8Å; D70-R89 PolarHBondContact OD1-NH2 3.42Å; D70-R89 IonicContact OD2-NH1 3.68Å; I84-R89 HydrophobicContact CB-CG 4.17Å; I84-R89 HydrophobicContact CG2-CG 3.92Å; I84-R89 PolarHBondContact O-NE 3.08Å; H85-R89 PolarHBondContact O-N 3.42Å; E86-R89 WeakPolarHBondContact O-CB 3.46Å; E86-R89 PolarHBondContact O-N 3.33Å; E86-R89 VanDerWaalsContact O-N 3.17Å; E86-R89 WeakPolarHBondContact OE2-CD 3.47Å; R89-Q91 PolarHBondContact O-N 2.49Å; R89-I92 PolarHBondContact O-N 3.35Å; R89-I92 VanDerWaalsContact O-N 3.16Å; R89-R93 WeakPolarHBondContact O-CG 3.28Å; R89-R93 PolarHBondContact O-N 3.03Å |
| 90 | Q | 94.4 | Very high | 90.4 | Very high | 66 Ų | 66 | 43.7 Ų | 43.7 | 31% | 0.308 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -58.4 | -45.8 | 177.6 | -176.7 | 59.1 | 48.7 | 0 | 0 | 112.2 | E86 D88 I92 R93 D94 | E86-Q90 WeakPolarHBondContact O-CB 3.43Å; E86-Q90 PolarHBondContact O-N 3.03Å; D88-Q90 PolarHBondContact O-N 3.01Å; Q90-I92 VanDerWaalsContact C-N 3.3Å; Q90-I92 PolarHBondContact O-N 3.37Å; Q90-R93 PolarHBondContact O-N 3.37Å; Q90-D94 VanDerWaalsContact NE2-CG 3.28Å; Q90-D94 PolarHBondContact NE2-OD1 2.9Å; Q90-D94 PolarHBondContact NE2-OD2 3.06Å; Q90-D94 WeakPolarHBondContact O-CB 3.29Å; Q90-D94 VanDerWaalsContact O-CG 3.26Å; Q90-D94 PolarHBondContact O-N 3.06Å |
| 91 | Q | 94.5 | Very high | 91.8 | Very high | 61 Ų | 61 | 37.2 Ų | 37.2 | 29% | 0.285 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62 | -36.1 | 176.6 | -76.9 | -178.6 | 57 | 0 | 0 | 113.1 | N34 P37 N87 D88 R89 D94 N95 | N34-Q91 PolarHBondContact OD1-NE2 2.84Å; P37-Q91 HydrophobicContact CB-CB 4.08Å; P37-Q91 HydrophobicContact CG-CB 3.9Å; N87-Q91 PolarHBondContact ND2-NE2 3.14Å; N87-Q91 WeakPolarHBondContact O-CG 3.4Å; N87-Q91 PolarHBondContact O-N 3.42Å; D88-Q91 PolarHBondContact O-N 3.26Å; R89-Q91 PolarHBondContact O-N 2.49Å; Q91-D94 PolarHBondContact O-N 3.27Å; Q91-N95 PolarHBondContact O-N 3.44Å; Q91-N95 PolarHBondContact O-ND2 3.13Å |
| 92 | I | 95.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.9 | -49 | 176.1 | -68.1 | 165.4 | 0 | 0 | 0 | 110 | A36 P37 L60 W68 D88 R89 Q90 D94 N95 I96 I118 | A36-I92 HydrophobicContact CB-CD1 3.68Å; P37-I92 HydrophobicContact CG-CG1 4.43Å; L60-I92 HydrophobicContact CD1-CD1 4.36Å; W68-I92 HydrophobicContact CH2-CB 4.15Å; W68-I92 HydrophobicContact CH2-CG2 4.19Å; W68-I92 HydrophobicContact CZ3-CB 4.25Å; W68-I92 HydrophobicContact CZ3-CD1 3.92Å; W68-I92 HydrophobicContact CZ3-CG2 4.17Å; D88-I92 WeakPolarHBondContact O-CG1 3.37Å; D88-I92 PolarHBondContact O-N 2.83Å; R89-I92 PolarHBondContact O-N 3.35Å; R89-I92 VanDerWaalsContact O-N 3.16Å; Q90-I92 VanDerWaalsContact C-N 3.3Å; Q90-I92 PolarHBondContact O-N 3.37Å; I92-D94 PolarHBondContact O-N 2.84Å; I92-D94 VanDerWaalsContact O-N 3.15Å; I92-N95 PolarHBondContact O-N 3.13Å; I92-I96 HydrophobicContact CG2-CB 4.33Å; I92-I96 VanDerWaalsContact O-CB 3.26Å; I92-I96 WeakPolarHBondContact O-CB 3.38Å; I92-I96 WeakPolarHBondContact O-CG2 3.35Å; I92-I96 PolarHBondContact O-N 3.28Å; I92-I118 HydrophobicContact CG2-CD1 3.72Å |
| 93 | R | 95.5 | Very high | 92.9 | Very high | 14 Ų | 14 | 42.7 Ų | 42.7 | 5% | 0.053 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -53.7 | -33.6 | 172.4 | -70.9 | -169.8 | -73.2 | 151.5 | -9.2 | 111.8 | W68 E86 R89 Q90 N95 I118 D122 H126 W127 K133 | W68-R93 HydrophobicContact CH2-CG 4.28Å; W68-R93 HydrophobicContact CZ2-CG 4.12Å; E86-R93 IonicContact OE1-CZ 3.55Å; E86-R93 IonicContact OE1-NH2 3.56Å; E86-R93 PolarHBondContact OE1-NH2 3.5Å; R89-R93 WeakPolarHBondContact O-CG 3.28Å; R89-R93 PolarHBondContact O-N 3.03Å; Q90-R93 PolarHBondContact O-N 3.37Å; R93-N95 VanDerWaalsContact C-N 3.34Å; R93-N95 PolarHBondContact O-N 3.47Å; R93-I118 HydrophobicContact CG-CG2 4.09Å; R93-D122 WeakPolarHBondContact CD-OD2 3.09Å; R93-D122 IonicContact NE-OD2 3.71Å; R93-H126 PolarHBondContact NH1-O 3.41Å; R93-W127 HydrophobicContact CB-CD2 4.02Å; R93-W127 HydrophobicContact CB-CG 4.41Å; R93-W127 HydrophobicContact CB-CH2 4.47Å; R93-W127 HydrophobicContact CB-CZ2 3.95Å; R93-W127 VanDerWaalsContact CD-CG 3.47Å; R93-W127 HydrophobicContact CG-CD2 3.8Å; R93-W127 HydrophobicContact CG-CE3 4.01Å; R93-W127 HydrophobicContact CG-CG 4.16Å; R93-W127 HydrophobicContact CG-CZ2 4.41Å; R93-W127 HydrophobicContact CG-CZ3 4.37Å; R93-W127 WeakPolarHBondContact O-CZ2 3.44Å; R93-K133 PolarHBondContact O-NZ 3.13Å; R93-K133 VanDerWaalsContact O-NZ 3.17Å |
| 94 | D | 93.6 | Very high | 93.1 | Very high | 64 Ų | 64 | 42.6 Ų | 42.6 | 34% | 0.342 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -71.5 | -25.7 | -179.6 | -76.6 | -29.1 | 0 | 0 | 0 | 114.9 | Q90 Q91 I92 K133 | Q90-D94 VanDerWaalsContact NE2-CG 3.28Å; Q90-D94 PolarHBondContact NE2-OD1 2.9Å; Q90-D94 PolarHBondContact NE2-OD2 3.06Å; Q90-D94 WeakPolarHBondContact O-CB 3.29Å; Q90-D94 VanDerWaalsContact O-CG 3.26Å; Q90-D94 PolarHBondContact O-N 3.06Å; Q91-D94 PolarHBondContact O-N 3.27Å; I92-D94 PolarHBondContact O-N 2.84Å; I92-D94 VanDerWaalsContact O-N 3.15Å; D94-K133 PolarHBondContact O-NZ 2.88Å; D94-K133 IonicContact OD1-NZ 2.62Å |
| 95 | N | 94.6 | Very high | 93 | Very high | 85 Ų | 85 | 47.1 Ų | 47.1 | 46% | 0.455 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -128.7 | -9.2 | -168.1 | -63.5 | -80.2 | 0 | 0 | 0 | 115 | L40 Q91 I92 R93 V97 E98 G99 | L40-N95 HydrophobicContact CD2-CB 3.85Å; Q91-N95 PolarHBondContact O-N 3.44Å; Q91-N95 PolarHBondContact O-ND2 3.13Å; I92-N95 PolarHBondContact O-N 3.13Å; R93-N95 VanDerWaalsContact C-N 3.34Å; R93-N95 PolarHBondContact O-N 3.47Å; N95-V97 VanDerWaalsContact C-N 3.34Å; N95-V97 PolarHBondContact O-N 2.88Å; N95-E98 WeakPolarHBondContact CA-OE2 3.19Å; N95-E98 PolarHBondContact O-N 3.4Å; N95-G99 PolarHBondContact O-N 3.01Å |
| 96 | I | 95.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.4 | -36.2 | -172.7 | -170.7 | 63.7 | 0 | 0 | 0 | 112.5 | L40 I92 G99 I100 L111 C114 L115 W127 | L40-I96 HydrophobicContact CD1-CD1 4.05Å; I92-I96 HydrophobicContact CG2-CB 4.33Å; I92-I96 VanDerWaalsContact O-CB 3.26Å; I92-I96 WeakPolarHBondContact O-CB 3.38Å; I92-I96 WeakPolarHBondContact O-CG2 3.35Å; I92-I96 PolarHBondContact O-N 3.28Å; I96-G99 PolarHBondContact O-N 3.01Å; I96-I100 HydrophobicContact CG1-CD1 4.3Å; I96-I100 WeakPolarHBondContact O-CG1 3.39Å; I96-I100 PolarHBondContact O-N 2.77Å; I96-L111 HydrophobicContact CD1-CB 4.18Å; I96-L111 HydrophobicContact CD1-CD2 3.81Å; I96-L111 HydrophobicContact CD1-CG 4.43Å; I96-C114 HydrophobicContact CD1-CB 4.35Å; I96-L115 HydrophobicContact CG1-CB 4.47Å; I96-L115 HydrophobicContact CG2-CD1 4.1Å; I96-W127 HydrophobicContact CG2-CH2 3.74Å; I96-W127 HydrophobicContact CG2-CZ2 4.49Å |
| 97 | V | 95.1 | Very high | 93 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.7 | -47.6 | 179.6 | 176.3 | 0 | 0 | 0 | 0 | 110.3 | N95 G99 I100 I101 W127 Y137 | N95-V97 VanDerWaalsContact C-N 3.34Å; N95-V97 PolarHBondContact O-N 2.88Å; V97-G99 VanDerWaalsContact C-N 3.28Å; V97-G99 PolarHBondContact O-N 2.83Å; V97-I100 PolarHBondContact O-N 3.37Å; V97-I101 HydrophobicContact CG1-CD1 4.06Å; V97-I101 WeakPolarHBondContact O-CG1 3.49Å; V97-I101 PolarHBondContact O-N 3.36Å; V97-W127 HydrophobicContact CG2-CH2 4.46Å; V97-Y137 HydrophobicContact CG1-CD2 3.91Å; V97-Y137 HydrophobicContact CG1-CE2 4.31Å |
| 98 | E | 92.9 | Very high | 93.1 | Very high | 37 Ų | 37 | 40.5 Ų | 40.5 | 17% | 0.173 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.9 | -37.6 | 174.9 | -63.8 | 82.7 | 177.9 | 0 | 0 | 111.6 | N95 I101 R102 Y137 | N95-E98 WeakPolarHBondContact CA-OE2 3.19Å; N95-E98 PolarHBondContact O-N 3.4Å; E98-I101 PolarHBondContact O-N 3.38Å; E98-R102 WeakPolarHBondContact O-CB 3.3Å; E98-R102 WeakPolarHBondContact O-CG 3.48Å; E98-R102 PolarHBondContact O-N 3.16Å; E98-Y137 HydrophobicContact CG-CE2 3.87Å; E98-Y137 WeakPolarHBondContact CG-OH 3.4Å; E98-Y137 WeakPolarHBondContact OE1-CE2 3.5Å; E98-Y137 PolarHBondContact OE1-OH 3.28Å |
| 99 | G | 93.2 | Very high | 92.9 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.1 | -46.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N95 I96 V97 R102 S103 | N95-G99 PolarHBondContact O-N 3.01Å; I96-G99 PolarHBondContact O-N 3.01Å; V97-G99 VanDerWaalsContact C-N 3.28Å; V97-G99 PolarHBondContact O-N 2.83Å; G99-R102 PolarHBondContact O-N 2.63Å; G99-S103 WeakPolarHBondContact O-CB 3.43Å; G99-S103 PolarHBondContact O-N 3.16Å; G99-S103 VanDerWaalsContact O-N 3.07Å; G99-S103 PolarHBondContact O-OG 3.46Å |
| 100 | I | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.2 | -44.4 | 176.2 | -70.2 | 165 | 0 | 0 | 0 | 110.7 | I96 V97 R102 R108 L111 T112 L115 | I96-I100 HydrophobicContact CG1-CD1 4.3Å; I96-I100 WeakPolarHBondContact O-CG1 3.39Å; I96-I100 PolarHBondContact O-N 2.77Å; V97-I100 PolarHBondContact O-N 3.37Å; I100-R102 PolarHBondContact O-N 3Å; I100-R108 HydrophobicContact CB-CG 4.49Å; I100-R108 HydrophobicContact CG2-CG 3.69Å; I100-R108 WeakPolarHBondContact O-CD 3.46Å; I100-R108 WeakPolarHBondContact O-CG 3.32Å; I100-R108 PolarHBondContact O-NE 3.46Å; I100-L111 HydrophobicContact CD1-CB 4.36Å; I100-L111 HydrophobicContact CG1-CB 3.55Å; I100-L111 HydrophobicContact CG1-CD1 4.37Å; I100-T112 HydrophobicContact CD1-CG2 4.16Å; I100-T112 HydrophobicContact CG1-CG2 4.39Å; I100-T112 HydrophobicContact CG2-CG2 4.04Å; I100-L115 HydrophobicContact CD1-CB 3.92Å; I100-L115 HydrophobicContact CD1-CD2 3.66Å; I100-L115 HydrophobicContact CD1-CG 4.39Å |
| 101 | I | 92.4 | Very high | 93 | Very high | 28 Ų | 28 | 42.1 Ų | 42.1 | 14% | 0.144 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63 | -42.8 | -178.6 | -70.3 | 165.8 | 0 | 0 | 0 | 112 | V97 E98 Y137 | V97-I101 HydrophobicContact CG1-CD1 4.06Å; V97-I101 WeakPolarHBondContact O-CG1 3.49Å; V97-I101 PolarHBondContact O-N 3.36Å; E98-I101 PolarHBondContact O-N 3.38Å; I101-Y137 HydrophobicContact CD1-CD1 3.73Å; I101-Y137 HydrophobicContact CD1-CD2 3.7Å; I101-Y137 HydrophobicContact CD1-CE1 4.31Å; I101-Y137 HydrophobicContact CD1-CE2 4.27Å; I101-Y137 HydrophobicContact CD1-CG 3.42Å; I101-Y137 VanDerWaalsContact CD1-CG 3.42Å |
| 102 | R | 89.3 | Confident | 93 | Very high | 198 Ų | 198 | 39.6 Ų | 39.6 | 75% | 0.747 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -85.1 | -15.1 | -175.6 | -66.9 | 179 | 178.7 | 178.5 | 1.9 | 114 | E98 G99 I100 | E98-R102 WeakPolarHBondContact O-CB 3.3Å; E98-R102 WeakPolarHBondContact O-CG 3.48Å; E98-R102 PolarHBondContact O-N 3.16Å; G99-R102 PolarHBondContact O-N 2.63Å; I100-R102 PolarHBondContact O-N 3Å |
| 103 | S | 91.2 | Very high | 92.9 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.014 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -81.7 | 148.1 | -173.5 | -69.7 | 0 | 0 | 0 | 0 | 113 | G99 V107 R108 | G99-S103 WeakPolarHBondContact O-CB 3.43Å; G99-S103 PolarHBondContact O-N 3.16Å; G99-S103 VanDerWaalsContact O-N 3.07Å; G99-S103 PolarHBondContact O-OG 3.46Å; S103-V107 WeakPolarHBondContact OG-CG1 3.42Å; S103-R108 VanDerWaalsContact O-CZ 3.25Å; S103-R108 PolarHBondContact O-NE 3.16Å; S103-R108 VanDerWaalsContact O-NE 3.12Å; S103-R108 PolarHBondContact O-NH2 2.98Å |
| 104 | P | 90 | Very high | 92.9 | Very high | 45 Ų | 45 | 42.1 Ų | 42.1 | 29% | 0.292 | 21% | 0.21 | S | C | . | . | trans | -69.1 | 163.4 | 168 | 30.4 | -35.9 | 0 | 0 | 0 | 111.9 | F50 L106 V107 R108 | F50-P104 HydrophobicContact CD2-CG 4.2Å; F50-P104 HydrophobicContact CE2-CB 4.22Å; F50-P104 HydrophobicContact CE2-CG 3.57Å; P104-L106 PolarHBondContact O-N 3.3Å; P104-V107 HydrophobicContact CG-CB 4.24Å; P104-V107 HydrophobicContact CG-CG2 4.15Å; P104-V107 PolarHBondContact O-N 3.39Å; P104-V107 VanDerWaalsContact O-N 3.11Å; P104-R108 WeakPolarHBondContact O-CB 3.42Å; P104-R108 PolarHBondContact O-N 2.99Å | ||
| 105 | D | 87.4 | Confident | 93.1 | Very high | 99 Ų | 99 | 39.1 Ų | 39.1 | 53% | 0.529 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -52.9 | -50.7 | -167.5 | -66.9 | 4.1 | 0 | 0 | 0 | 114.5 | V107 R108 V109 | D105-V107 VanDerWaalsContact C-N 3.28Å; D105-V107 PolarHBondContact O-N 3.22Å; D105-R108 WeakPolarHBondContact O-CB 3.38Å; D105-R108 PolarHBondContact O-N 3.44Å; D105-R108 VanDerWaalsContact O-N 3.12Å; D105-R108 IonicContact OD1-CZ 2.76Å; D105-R108 VanDerWaalsContact OD1-CZ 3.24Å; D105-R108 IonicContact OD1-NH1 3.76Å; D105-R108 PolarHBondContact OD1-NH1 3Å; D105-R108 IonicContact OD1-NH2 3.74Å; D105-R108 PolarHBondContact OD1-NH2 2.87Å; D105-R108 VanDerWaalsContact OD1-NH2 3.08Å; D105-V109 WeakPolarHBondContact O-CG2 3.43Å; D105-V109 PolarHBondContact O-N 3.42Å |
| 106 | L | 88.8 | Confident | 93.1 | Very high | 98 Ų | 98 | 39 Ų | 39 | 51% | 0.513 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61 | -34.8 | -178.6 | -66.8 | 176.9 | 0 | 0 | 0 | 113.2 | F50 P104 | F50-L106 HydrophobicContact CE1-CD1 3.98Å; F50-L106 HydrophobicContact CZ-CB 4.02Å; F50-L106 HydrophobicContact CZ-CD1 3.82Å; F50-L106 HydrophobicContact CZ-CG 4.4Å; P104-L106 PolarHBondContact O-N 3.3Å |
| 107 | V | 93.3 | Very high | 93 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -78 | -41.3 | 175.6 | 170.9 | 0 | 0 | 0 | 0 | 110.3 | I43 F50 A57 S103 P104 D105 V109 Q110 L111 | I43-V107 HydrophobicContact CG2-CG1 3.24Å; F50-V107 HydrophobicContact CE2-CG2 4.26Å; A57-V107 HydrophobicContact CB-CG1 4.15Å; S103-V107 WeakPolarHBondContact OG-CG1 3.42Å; P104-V107 HydrophobicContact CG-CB 4.24Å; P104-V107 HydrophobicContact CG-CG2 4.15Å; P104-V107 PolarHBondContact O-N 3.39Å; P104-V107 VanDerWaalsContact O-N 3.11Å; D105-V107 VanDerWaalsContact C-N 3.28Å; D105-V107 PolarHBondContact O-N 3.22Å; V107-V109 VanDerWaalsContact C-N 3.3Å; V107-V109 PolarHBondContact O-N 2.98Å; V107-Q110 PolarHBondContact O-N 3.29Å; V107-Q110 VanDerWaalsContact O-N 3.14Å; V107-L111 HydrophobicContact CG1-CD1 4.11Å; V107-L111 HydrophobicContact CG1-CG 4.26Å; V107-L111 PolarHBondContact O-N 3.33Å |
| 108 | R | 93.4 | Very high | 93 | Very high | 34 Ų | 34 | 39.9 Ų | 39.9 | 13% | 0.128 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.4 | -42.2 | -177.9 | -163.9 | -177.9 | -50.7 | 120.3 | 6.5 | 111.5 | I100 S103 P104 D105 Q110 L111 T112 L151 | I100-R108 HydrophobicContact CB-CG 4.49Å; I100-R108 HydrophobicContact CG2-CG 3.69Å; I100-R108 WeakPolarHBondContact O-CD 3.46Å; I100-R108 WeakPolarHBondContact O-CG 3.32Å; I100-R108 PolarHBondContact O-NE 3.46Å; S103-R108 VanDerWaalsContact O-CZ 3.25Å; S103-R108 PolarHBondContact O-NE 3.16Å; S103-R108 VanDerWaalsContact O-NE 3.12Å; S103-R108 PolarHBondContact O-NH2 2.98Å; P104-R108 WeakPolarHBondContact O-CB 3.42Å; P104-R108 PolarHBondContact O-N 2.99Å; D105-R108 WeakPolarHBondContact O-CB 3.38Å; D105-R108 PolarHBondContact O-N 3.44Å; D105-R108 VanDerWaalsContact O-N 3.12Å; D105-R108 IonicContact OD1-CZ 2.76Å; D105-R108 VanDerWaalsContact OD1-CZ 3.24Å; D105-R108 IonicContact OD1-NH1 3.76Å; D105-R108 PolarHBondContact OD1-NH1 3Å; D105-R108 IonicContact OD1-NH2 3.74Å; D105-R108 PolarHBondContact OD1-NH2 2.87Å; D105-R108 VanDerWaalsContact OD1-NH2 3.08Å; R108-Q110 VanDerWaalsContact C-N 3.34Å; R108-Q110 PolarHBondContact O-N 2.95Å; R108-L111 PolarHBondContact O-N 3.27Å; R108-T112 WeakPolarHBondContact O-CG2 3.49Å; R108-T112 PolarHBondContact O-N 3Å; R108-T112 PolarHBondContact O-OG1 3.06Å; R108-L151 HydrophobicContact CG-CD1 4.13Å |
| 109 | V | 91.3 | Very high | 93.1 | Very high | 82 Ų | 82 | 38.1 Ų | 38.1 | 50% | 0.497 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -58.5 | -44.7 | 177.1 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | D105 V107 T112 M113 | D105-V109 WeakPolarHBondContact O-CG2 3.43Å; D105-V109 PolarHBondContact O-N 3.42Å; V107-V109 VanDerWaalsContact C-N 3.3Å; V107-V109 PolarHBondContact O-N 2.98Å; V109-T112 WeakPolarHBondContact CA-OG1 3.27Å; V109-T112 PolarHBondContact O-N 3.21Å; V109-T112 PolarHBondContact O-OG1 2.94Å; V109-M113 PolarHBondContact O-N 3.03Å |
| 110 | Q | 93.7 | Very high | 93.1 | Very high | 36 Ų | 36 | 45 Ų | 45 | 17% | 0.168 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.5 | -41.9 | 178.4 | -54.4 | -56.2 | -42.1 | 0 | 0 | 112 | A57 I58 K61 V107 R108 T112 M113 C114 | A57-Q110 HydrophobicContact CB-CB 3.91Å; A57-Q110 HydrophobicContact CB-CG 4.34Å; I58-Q110 HydrophobicContact CG1-CG 4.09Å; K61-Q110 VanDerWaalsContact NZ-OE1 3.17Å; V107-Q110 PolarHBondContact O-N 3.29Å; V107-Q110 VanDerWaalsContact O-N 3.14Å; R108-Q110 VanDerWaalsContact C-N 3.34Å; R108-Q110 PolarHBondContact O-N 2.95Å; Q110-T112 VanDerWaalsContact C-N 3.32Å; Q110-T112 PolarHBondContact O-N 2.93Å; Q110-M113 WeakPolarHBondContact O-CB 3.48Å; Q110-M113 PolarHBondContact O-N 2.83Å; Q110-C114 PolarHBondContact O-N 3.31Å; Q110-C114 VanDerWaalsContact O-N 3.1Å; Q110-C114 PolarHBondContact O-SG 3.2Å |
| 111 | L | 96.1 | Very high | 93 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66 | -33.3 | 176.8 | -66.6 | -176.6 | 0 | 0 | 0 | 112.5 | L40 I43 L60 I96 I100 V107 R108 M113 C114 L115 | L40-L111 HydrophobicContact CD1-CD2 4.04Å; I43-L111 HydrophobicContact CD1-CD2 4.05Å; I43-L111 HydrophobicContact CG2-CD1 4.04Å; I43-L111 HydrophobicContact CG2-CD2 4.28Å; I43-L111 HydrophobicContact CG2-CG 4.4Å; L60-L111 HydrophobicContact CD2-CD2 4.21Å; I96-L111 HydrophobicContact CD1-CB 4.18Å; I96-L111 HydrophobicContact CD1-CD2 3.81Å; I96-L111 HydrophobicContact CD1-CG 4.43Å; I100-L111 HydrophobicContact CD1-CB 4.36Å; I100-L111 HydrophobicContact CG1-CB 3.55Å; I100-L111 HydrophobicContact CG1-CD1 4.37Å; V107-L111 HydrophobicContact CG1-CD1 4.11Å; V107-L111 HydrophobicContact CG1-CG 4.26Å; V107-L111 PolarHBondContact O-N 3.33Å; R108-L111 PolarHBondContact O-N 3.27Å; L111-M113 VanDerWaalsContact C-N 3.3Å; L111-M113 PolarHBondContact O-N 3.05Å; L111-C114 WeakPolarHBondContact O-CB 3.47Å; L111-C114 PolarHBondContact O-N 3.42Å; L111-L115 PolarHBondContact O-N 3Å |
| 112 | T | 95.2 | Very high | 93.1 | Very high | 8 Ų | 8 | 48 Ų | 48 | 5% | 0.049 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.7 | -33.3 | 173.2 | 54.5 | 0 | 0 | 0 | 0 | 112.5 | I100 R108 V109 Q110 L115 R116 L151 Q155 | I100-T112 HydrophobicContact CD1-CG2 4.16Å; I100-T112 HydrophobicContact CG1-CG2 4.39Å; I100-T112 HydrophobicContact CG2-CG2 4.04Å; R108-T112 WeakPolarHBondContact O-CG2 3.49Å; R108-T112 PolarHBondContact O-N 3Å; R108-T112 PolarHBondContact O-OG1 3.06Å; V109-T112 WeakPolarHBondContact CA-OG1 3.27Å; V109-T112 PolarHBondContact O-N 3.21Å; V109-T112 PolarHBondContact O-OG1 2.94Å; Q110-T112 VanDerWaalsContact C-N 3.32Å; Q110-T112 PolarHBondContact O-N 2.93Å; T112-L115 PolarHBondContact O-N 3.29Å; T112-R116 PolarHBondContact O-N 2.78Å; T112-L151 HydrophobicContact CG2-CB 4.05Å; T112-Q155 HydrophobicContact CG2-CG 4.45Å; T112-Q155 WeakPolarHBondContact O-CG 3.49Å |
| 113 | M | 93.5 | Very high | 93.3 | Very high | 67 Ų | 67 | 39.4 Ų | 39.4 | 33% | 0.33 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -67.6 | -40 | 172.1 | -65 | -65.9 | 93.1 | 0 | 0 | 112 | K61 V109 Q110 L111 L115 R116 A117 | K61-M113 HydrophobicContact CD-CB 3.86Å; K61-M113 HydrophobicContact CD-CG 4.38Å; K61-M113 HydrophobicContact CG-CB 3.95Å; V109-M113 PolarHBondContact O-N 3.03Å; Q110-M113 WeakPolarHBondContact O-CB 3.48Å; Q110-M113 PolarHBondContact O-N 2.83Å; L111-M113 VanDerWaalsContact C-N 3.3Å; L111-M113 PolarHBondContact O-N 3.05Å; M113-L115 VanDerWaalsContact C-N 3.32Å; M113-L115 PolarHBondContact O-N 3.39Å; M113-R116 PolarHBondContact O-N 2.94Å; M113-A117 PolarHBondContact O-N 2.97Å; M113-A117 VanDerWaalsContact O-N 3.13Å |
| 114 | C | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.9 | -49.2 | 170.9 | -56.7 | 0 | 0 | 0 | 0 | 110.5 | K61 V64 I96 Q110 L111 R116 A117 I118 | K61-C114 WeakPolarHBondContact CA-SG 3.42Å; V64-C114 HydrophobicContact CG1-CB 4.48Å; I96-C114 HydrophobicContact CD1-CB 4.35Å; Q110-C114 PolarHBondContact O-N 3.31Å; Q110-C114 VanDerWaalsContact O-N 3.1Å; Q110-C114 PolarHBondContact O-SG 3.2Å; L111-C114 WeakPolarHBondContact O-CB 3.47Å; L111-C114 PolarHBondContact O-N 3.42Å; C114-R116 VanDerWaalsContact C-N 3.34Å; C114-R116 PolarHBondContact O-N 2.96Å; C114-A117 PolarHBondContact O-N 3.37Å; C114-I118 VanDerWaalsContact O-CG1 3.24Å; C114-I118 WeakPolarHBondContact O-CG1 3.41Å; C114-I118 PolarHBondContact O-N 2.99Å |
| 115 | L | 96.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.8 | -41.6 | -179.8 | 179.1 | 63.7 | 0 | 0 | 0 | 112.1 | I96 I100 L111 T112 M113 A117 I118 I119 W127 C152 Q155 | I96-L115 HydrophobicContact CG1-CB 4.47Å; I96-L115 HydrophobicContact CG2-CD1 4.1Å; I100-L115 HydrophobicContact CD1-CB 3.92Å; I100-L115 HydrophobicContact CD1-CD2 3.66Å; I100-L115 HydrophobicContact CD1-CG 4.39Å; L111-L115 PolarHBondContact O-N 3Å; T112-L115 PolarHBondContact O-N 3.29Å; M113-L115 VanDerWaalsContact C-N 3.32Å; M113-L115 PolarHBondContact O-N 3.39Å; L115-A117 PolarHBondContact O-N 3.38Å; L115-I118 PolarHBondContact O-N 2.93Å; L115-I119 HydrophobicContact CD1-CD1 3.9Å; L115-I119 HydrophobicContact CD1-CG1 4.01Å; L115-I119 HydrophobicContact CD2-CD1 4.29Å; L115-I119 HydrophobicContact CG-CD1 3.72Å; L115-I119 HydrophobicContact CG-CG1 4.25Å; L115-I119 WeakPolarHBondContact O-CB 3.48Å; L115-I119 VanDerWaalsContact O-CG1 3.27Å; L115-I119 WeakPolarHBondContact O-CG1 3.22Å; L115-I119 PolarHBondContact O-N 2.73Å; L115-W127 HydrophobicContact CD1-CH2 3.8Å; L115-W127 HydrophobicContact CD1-CZ3 3.65Å; L115-C152 HydrophobicContact CD2-CB 3.62Å; L115-Q155 HydrophobicContact CD2-CB 4.43Å |
| 116 | R | 94.3 | Very high | 93.1 | Very high | 84 Ų | 84 | 44.7 Ų | 44.7 | 32% | 0.317 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.8 | -45.9 | 176.9 | -168.4 | -178.2 | -177.4 | -171.7 | 0.6 | 111.6 | T112 M113 C114 I119 K120 Q155 K158 | T112-R116 PolarHBondContact O-N 2.78Å; M113-R116 PolarHBondContact O-N 2.94Å; C114-R116 VanDerWaalsContact C-N 3.34Å; C114-R116 PolarHBondContact O-N 2.96Å; R116-I119 PolarHBondContact O-N 3.23Å; R116-K120 WeakPolarHBondContact O-CB 3.13Å; R116-K120 PolarHBondContact O-N 2.92Å; R116-Q155 HydrophobicContact CB-CB 4.23Å; R116-Q155 HydrophobicContact CB-CG 4.45Å; R116-K158 PolarHBondContact NH2-O 3.34Å |
| 117 | A | 94.3 | Very high | 93.3 | Very high | 18 Ų | 18 | 40.3 Ų | 40.3 | 15% | 0.149 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.9 | -44.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V64 M113 C114 L115 K120 H121 | V64-A117 HydrophobicContact CG1-CB 3.92Å; M113-A117 PolarHBondContact O-N 2.97Å; M113-A117 VanDerWaalsContact O-N 3.13Å; C114-A117 PolarHBondContact O-N 3.37Å; L115-A117 PolarHBondContact O-N 3.38Å; A117-K120 PolarHBondContact O-N 3.08Å; A117-H121 PolarHBondContact O-CD2 3.14Å; A117-H121 VanDerWaalsContact O-CD2 3.28Å; A117-H121 PolarHBondContact O-N 3.14Å |
| 118 | I | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.7 | -47.7 | 176.9 | -63.6 | 165.4 | 0 | 0 | 0 | 110.8 | V64 W68 I92 R93 C114 L115 K120 H121 D122 W127 | V64-I118 HydrophobicContact CG1-CD1 4.39Å; V64-I118 HydrophobicContact CG1-CG1 3.86Å; W68-I118 HydrophobicContact CD2-CG1 3.9Å; W68-I118 HydrophobicContact CE3-CG1 4.05Å; W68-I118 HydrophobicContact CH2-CD1 3.91Å; W68-I118 HydrophobicContact CH2-CG1 3.84Å; W68-I118 HydrophobicContact CH2-CG2 4.35Å; W68-I118 HydrophobicContact CZ2-CB 4.24Å; W68-I118 HydrophobicContact CZ2-CD1 4.24Å; W68-I118 HydrophobicContact CZ2-CG1 3.72Å; W68-I118 HydrophobicContact CZ2-CG2 3.67Å; W68-I118 HydrophobicContact CZ3-CD1 4.1Å; W68-I118 HydrophobicContact CZ3-CG1 4.02Å; I92-I118 HydrophobicContact CG2-CD1 3.72Å; R93-I118 HydrophobicContact CG-CG2 4.09Å; C114-I118 VanDerWaalsContact O-CG1 3.24Å; C114-I118 WeakPolarHBondContact O-CG1 3.41Å; C114-I118 PolarHBondContact O-N 2.99Å; L115-I118 PolarHBondContact O-N 2.93Å; I118-K120 VanDerWaalsContact C-N 3.32Å; I118-K120 PolarHBondContact O-N 3.3Å; I118-H121 PolarHBondContact O-N 3.04Å; I118-D122 HydrophobicContact CG2-CB 4.41Å; I118-D122 VanDerWaalsContact O-CB 3.28Å; I118-D122 WeakPolarHBondContact O-CB 3.44Å; I118-D122 PolarHBondContact O-N 2.7Å; I118-W127 HydrophobicContact CG2-CE3 3.61Å; I118-W127 HydrophobicContact CG2-CZ3 3.64Å |
| 119 | I | 95.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.6 | -43.3 | 179 | -70.9 | 172.2 | 0 | 0 | 0 | 110.8 | L115 R116 H121 D122 F123 Q155 L156 T159 | L115-I119 HydrophobicContact CD1-CD1 3.9Å; L115-I119 HydrophobicContact CD1-CG1 4.01Å; L115-I119 HydrophobicContact CD2-CD1 4.29Å; L115-I119 HydrophobicContact CG-CD1 3.72Å; L115-I119 HydrophobicContact CG-CG1 4.25Å; L115-I119 WeakPolarHBondContact O-CB 3.48Å; L115-I119 VanDerWaalsContact O-CG1 3.27Å; L115-I119 WeakPolarHBondContact O-CG1 3.22Å; L115-I119 PolarHBondContact O-N 2.73Å; R116-I119 PolarHBondContact O-N 3.23Å; I119-H121 PolarHBondContact O-N 3.46Å; I119-D122 PolarHBondContact O-N 2.96Å; I119-F123 HydrophobicContact CG2-CB 3.98Å; I119-F123 HydrophobicContact CG2-CD1 4.49Å; I119-F123 WeakPolarHBondContact O-CB 3.37Å; I119-F123 PolarHBondContact O-N 3.08Å; I119-Q155 HydrophobicContact CD1-CB 4.34Å; I119-L156 HydrophobicContact CD1-CB 4.08Å; I119-L156 HydrophobicContact CD1-CD1 4.33Å; I119-L156 HydrophobicContact CG2-CD1 3.67Å; I119-T159 HydrophobicContact CG2-CG2 4.08Å |
| 120 | K | 93.4 | Very high | 93.3 | Very high | 146 Ų | 146 | 40.4 Ų | 40.4 | 64% | 0.635 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -55.7 | -36.3 | -179.3 | -176.5 | -179.7 | 177.1 | -177.7 | 0 | 113.2 | R116 A117 I118 T159 | R116-K120 WeakPolarHBondContact O-CB 3.13Å; R116-K120 PolarHBondContact O-N 2.92Å; A117-K120 PolarHBondContact O-N 3.08Å; I118-K120 VanDerWaalsContact C-N 3.32Å; I118-K120 PolarHBondContact O-N 3.3Å; K120-T159 HydrophobicContact CB-CG2 3.83Å; K120-T159 HydrophobicContact CG-CG2 4.29Å |
| 121 | H | 92.4 | Very high | 93.4 | Very high | 82 Ų | 82 | 39.4 Ų | 39.4 | 38% | 0.38 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -99.8 | -29.2 | -176.5 | -68.1 | -71.3 | 0 | 0 | 0 | 113.5 | A117 I118 I119 | A117-H121 PolarHBondContact O-CD2 3.14Å; A117-H121 VanDerWaalsContact O-CD2 3.28Å; A117-H121 PolarHBondContact O-N 3.14Å; I118-H121 PolarHBondContact O-N 3.04Å; I119-H121 PolarHBondContact O-N 3.46Å |
| 122 | D | 93.8 | Very high | 93.3 | Very high | 8 Ų | 8 | 44.7 Ų | 44.7 | 4% | 0.043 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -107 | -21.7 | -170.2 | -65.1 | 6.7 | 0 | 0 | 0 | 113.8 | W68 R93 I118 I119 G125 H126 W127 | W68-D122 WeakPolarHBondContact CZ2-OD2 3.38Å; W68-D122 VanDerWaalsContact NE1-CG 3.31Å; W68-D122 PolarHBondContact NE1-OD1 3.29Å; W68-D122 PolarHBondContact NE1-OD2 3.32Å; W68-D122 VanDerWaalsContact NE1-OD2 3.12Å; R93-D122 WeakPolarHBondContact CD-OD2 3.09Å; R93-D122 IonicContact NE-OD2 3.71Å; I118-D122 HydrophobicContact CG2-CB 4.41Å; I118-D122 VanDerWaalsContact O-CB 3.28Å; I118-D122 WeakPolarHBondContact O-CB 3.44Å; I118-D122 PolarHBondContact O-N 2.7Å; I119-D122 PolarHBondContact O-N 2.96Å; D122-G125 CarbonylContact O-C 3.55Å; D122-G125 PolarHBondContact O-N 3.1Å; D122-H126 HydrophobicContact CB-CB 4.05Å; D122-H126 CarbonylContact O-C 3.49Å; D122-H126 WeakPolarHBondContact O-CA 3.14Å; D122-H126 PolarHBondContact O-N 3.48Å; D122-W127 HydrophobicContact CB-CB 3.82Å; D122-W127 PolarHBondContact O-N 3.24Å |
| 123 | F | 93.4 | Very high | 93.2 | Very high | 19 Ų | 19 | 46.1 Ų | 46.1 | 8% | 0.083 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 135.8 | 179.4 | -179.7 | -91.8 | 0 | 0 | 0 | 110.8 | I119 V130 V131 L156 Y160 P170 | I119-F123 HydrophobicContact CG2-CB 3.98Å; I119-F123 HydrophobicContact CG2-CD1 4.49Å; I119-F123 WeakPolarHBondContact O-CB 3.37Å; I119-F123 PolarHBondContact O-N 3.08Å; F123-V130 HydrophobicContact CD2-CG1 3.58Å; F123-V130 HydrophobicContact CE2-CG1 4.15Å; F123-V130 HydrophobicContact CG-CG1 4.3Å; F123-V131 HydrophobicContact CE2-CG2 3.63Å; F123-V131 HydrophobicContact CZ-CG2 4.1Å; F123-L156 HydrophobicContact CD1-CD1 3.61Å; F123-L156 HydrophobicContact CD2-CD1 4.47Å; F123-L156 HydrophobicContact CE1-CD1 3.7Å; F123-L156 HydrophobicContact CG-CD1 4.03Å; F123-L156 HydrophobicContact CZ-CD1 4.2Å; F123-Y160 AromaticContact CD1-CE2 3.7Å; F123-Y160 HydrophobicContact CD1-CE2 3.7Å; F123-Y160 AromaticContact CD1-CZ 3.86Å; F123-Y160 WeakPolarHBondContact CD1-OH 3.5Å; F123-Y160 AromaticContact CE1-CE2 3.87Å; F123-Y160 HydrophobicContact CE1-CE2 3.87Å; F123-Y160 PolarHBondContact O-OH 3.41Å; F123-P170 HydrophobicContact CE1-CB 3.98Å; F123-P170 HydrophobicContact CZ-CB 4.32Å |
| 124 | P | 88.4 | Confident | 93.2 | Very high | 62 Ų | 62 | 43 Ų | 43 | 40% | 0.403 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -87.7 | -4.9 | 3.7 | 37.9 | -39.8 | 0 | 0 | 0 | 115.3 | Y160 P170 | P124-Y160 WeakPolarHBondContact CD-OH 3.46Å; P124-P170 HydrophobicContact CB-CB 3.8Å; P124-P170 HydrophobicContact CB-CG 4.34Å; P124-P170 HydrophobicContact CG-CB 3.68Å; P124-P170 HydrophobicContact CG-CG 3.67Å |
| 125 | G | 89 | Confident | 93.1 | Very high | 60 Ų | 60 | 44 Ų | 44 | 62% | 0.619 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -77.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | D122 W127 P128 | D122-G125 CarbonylContact O-C 3.55Å; D122-G125 PolarHBondContact O-N 3.1Å; G125-W127 PolarHBondContact O-N 3.4Å; G125-P128 WeakPolarHBondContact O-CD 3.34Å |
| 126 | H | 88.2 | Confident | 92.9 | Very high | 135 Ų | 135 | 51.3 Ų | 51.3 | 63% | 0.625 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -24 | -173.1 | -62.7 | 105.2 | 0 | 0 | 0 | 114 | R93 D122 | R93-H126 PolarHBondContact NH1-O 3.41Å; D122-H126 HydrophobicContact CB-CB 4.05Å; D122-H126 CarbonylContact O-C 3.49Å; D122-H126 WeakPolarHBondContact O-CA 3.14Å; D122-H126 PolarHBondContact O-N 3.48Å |
| 127 | W | 93.2 | Very high | 92.8 | Very high | 6 Ų | 6 | 49.8 Ų | 49.8 | 2% | 0.023 | 27% | 0.265 | C | S | . | . | trans | -136.8 | 65.4 | -176.4 | -165.6 | 34.3 | 0 | 0 | 0 | 115 | R93 I96 V97 L115 I118 D122 G125 A129 V130 | R93-W127 HydrophobicContact CB-CD2 4.02Å; R93-W127 HydrophobicContact CB-CG 4.41Å; R93-W127 HydrophobicContact CB-CH2 4.47Å; R93-W127 HydrophobicContact CB-CZ2 3.95Å; R93-W127 VanDerWaalsContact CD-CG 3.47Å; R93-W127 HydrophobicContact CG-CD2 3.8Å; R93-W127 HydrophobicContact CG-CE3 4.01Å; R93-W127 HydrophobicContact CG-CG 4.16Å; R93-W127 HydrophobicContact CG-CZ2 4.41Å; R93-W127 HydrophobicContact CG-CZ3 4.37Å; R93-W127 WeakPolarHBondContact O-CZ2 3.44Å; I96-W127 HydrophobicContact CG2-CH2 3.74Å; I96-W127 HydrophobicContact CG2-CZ2 4.49Å; V97-W127 HydrophobicContact CG2-CH2 4.46Å; L115-W127 HydrophobicContact CD1-CH2 3.8Å; L115-W127 HydrophobicContact CD1-CZ3 3.65Å; I118-W127 HydrophobicContact CG2-CE3 3.61Å; I118-W127 HydrophobicContact CG2-CZ3 3.64Å; D122-W127 HydrophobicContact CB-CB 3.82Å; D122-W127 PolarHBondContact O-N 3.24Å; G125-W127 PolarHBondContact O-N 3.4Å; W127-A129 VanDerWaalsContact C-N 3.28Å; W127-A129 PolarHBondContact O-N 3.42Å; W127-V130 HydrophobicContact CD2-CB 3.81Å; W127-V130 HydrophobicContact CD2-CG2 4.43Å; W127-V130 HydrophobicContact CE3-CB 3.88Å; W127-V130 HydrophobicContact CE3-CG2 4.1Å; W127-V130 HydrophobicContact CG-CB 4.45Å; W127-V130 HydrophobicContact CH2-CB 4.01Å; W127-V130 HydrophobicContact CH2-CG2 3.62Å; W127-V130 HydrophobicContact CZ2-CB 3.91Å; W127-V130 HydrophobicContact CZ2-CG2 3.96Å; W127-V130 HydrophobicContact CZ3-CB 3.99Å; W127-V130 HydrophobicContact CZ3-CG2 3.7Å; W127-V130 WeakPolarHBondContact O-CG1 3.42Å | ||
| 128 | P | 91.1 | Very high | 92.5 | Very high | 77 Ų | 77 | 49.1 Ų | 49.1 | 50% | 0.5 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -29.2 | 175.7 | 26.8 | -34.7 | 0 | 0 | 0 | 113 | G125 V130 V131 | G125-P128 WeakPolarHBondContact O-CD 3.34Å; P128-V130 PolarHBondContact O-N 3.01Å; P128-V131 PolarHBondContact O-N 3.18Å |
| 129 | A | 91.9 | Very high | 92.2 | Very high | 41 Ų | 41 | 55 Ų | 55 | 34% | 0.339 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -9.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | W127 V131 D132 K133 | W127-A129 VanDerWaalsContact C-N 3.28Å; W127-A129 PolarHBondContact O-N 3.42Å; A129-V131 PolarHBondContact O-N 3.41Å; A129-D132 PolarHBondContact O-N 3.03Å; A129-K133 PolarHBondContact O-N 2.9Å; A129-K133 VanDerWaalsContact O-N 3.12Å |
| 130 | V | 94.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.4 | -35.8 | 173 | 68.6 | 0 | 0 | 0 | 0 | 111.6 | F123 W127 P128 K133 I134 | F123-V130 HydrophobicContact CD2-CG1 3.58Å; F123-V130 HydrophobicContact CE2-CG1 4.15Å; F123-V130 HydrophobicContact CG-CG1 4.3Å; W127-V130 HydrophobicContact CD2-CB 3.81Å; W127-V130 HydrophobicContact CD2-CG2 4.43Å; W127-V130 HydrophobicContact CE3-CB 3.88Å; W127-V130 HydrophobicContact CE3-CG2 4.1Å; W127-V130 HydrophobicContact CG-CB 4.45Å; W127-V130 HydrophobicContact CH2-CB 4.01Å; W127-V130 HydrophobicContact CH2-CG2 3.62Å; W127-V130 HydrophobicContact CZ2-CB 3.91Å; W127-V130 HydrophobicContact CZ2-CG2 3.96Å; W127-V130 HydrophobicContact CZ3-CB 3.99Å; W127-V130 HydrophobicContact CZ3-CG2 3.7Å; W127-V130 WeakPolarHBondContact O-CG1 3.42Å; P128-V130 PolarHBondContact O-N 3.01Å; V130-K133 PolarHBondContact O-N 3.31Å; V130-I134 HydrophobicContact CG2-CD1 3.99Å; V130-I134 HydrophobicContact CG2-CG1 4.5Å; V130-I134 VanDerWaalsContact O-CG1 3.3Å; V130-I134 WeakPolarHBondContact O-CG1 3.04Å; V130-I134 PolarHBondContact O-N 3.35Å |
| 131 | V | 95.1 | Very high | 90.6 | Very high | 15 Ų | 15 | 59.1 Ų | 59.1 | 9% | 0.091 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.6 | -52.9 | 177.5 | 174.3 | 0 | 0 | 0 | 0 | 109.7 | F123 P128 A129 K133 I134 D135 L156 A174 I177 F178 | F123-V131 HydrophobicContact CE2-CG2 3.63Å; F123-V131 HydrophobicContact CZ-CG2 4.1Å; P128-V131 PolarHBondContact O-N 3.18Å; A129-V131 PolarHBondContact O-N 3.41Å; V131-K133 VanDerWaalsContact C-N 3.27Å; V131-K133 PolarHBondContact O-N 2.96Å; V131-I134 PolarHBondContact O-N 3.4Å; V131-D135 VanDerWaalsContact O-CB 3.24Å; V131-D135 WeakPolarHBondContact O-CB 3.45Å; V131-D135 PolarHBondContact O-N 3.08Å; V131-L156 HydrophobicContact CG2-CD2 4.43Å; V131-A174 HydrophobicContact CG1-CB 4.48Å; V131-A174 HydrophobicContact CG2-CB 3.97Å; V131-I177 HydrophobicContact CG1-CD1 4.22Å; V131-F178 HydrophobicContact CB-CE2 4.46Å; V131-F178 HydrophobicContact CB-CZ 4.46Å; V131-F178 HydrophobicContact CG1-CE2 3.79Å; V131-F178 HydrophobicContact CG1-CZ 3.81Å; V131-F178 WeakPolarHBondContact O-CZ 3.48Å |
| 132 | D | 93.6 | Very high | 89.6 | Confident | 110 Ų | 110 | 58.8 Ų | 58.8 | 59% | 0.588 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -59.5 | -37.5 | -179.5 | -60.1 | -42.6 | 0 | 0 | 0 | 112.5 | A129 D135 Y136 | A129-D132 PolarHBondContact O-N 3.03Å; D132-D135 WeakPolarHBondContact O-CB 3.45Å; D132-D135 PolarHBondContact O-N 3.43Å; D132-Y136 WeakPolarHBondContact O-CB 3.35Å; D132-Y136 PolarHBondContact O-N 3.33Å |
| 133 | K | 93.1 | Very high | 88.4 | Confident | 39 Ų | 39 | 61.4 Ų | 61.4 | 17% | 0.17 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.7 | -48.3 | 177.6 | -75.6 | -168.8 | 177.6 | -169.6 | 0 | 112.9 | R93 D94 A129 V130 V131 D135 Y136 Y137 | R93-K133 PolarHBondContact O-NZ 3.13Å; R93-K133 VanDerWaalsContact O-NZ 3.17Å; D94-K133 PolarHBondContact O-NZ 2.88Å; D94-K133 IonicContact OD1-NZ 2.62Å; A129-K133 PolarHBondContact O-N 2.9Å; A129-K133 VanDerWaalsContact O-N 3.12Å; V130-K133 PolarHBondContact O-N 3.31Å; V131-K133 VanDerWaalsContact C-N 3.27Å; V131-K133 PolarHBondContact O-N 2.96Å; K133-D135 PolarHBondContact O-N 3.18Å; K133-Y136 PolarHBondContact O-N 3.48Å; K133-Y137 WeakPolarHBondContact O-CD2 3.39Å; K133-Y137 PolarHBondContact O-N 3.44Å |
| 134 | I | 94.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59 | -42.7 | 176.2 | -67.8 | 169.7 | 0 | 0 | 0 | 109 | V130 V131 Y137 L138 C152 L153 F178 | V130-I134 HydrophobicContact CG2-CD1 3.99Å; V130-I134 HydrophobicContact CG2-CG1 4.5Å; V130-I134 VanDerWaalsContact O-CG1 3.3Å; V130-I134 WeakPolarHBondContact O-CG1 3.04Å; V130-I134 PolarHBondContact O-N 3.35Å; V131-I134 PolarHBondContact O-N 3.4Å; I134-Y137 PolarHBondContact O-N 3.09Å; I134-L138 VanDerWaalsContact O-CB 3.25Å; I134-L138 WeakPolarHBondContact O-CB 3.39Å; I134-L138 PolarHBondContact O-N 3.2Å; I134-C152 HydrophobicContact CD1-CB 3.89Å; I134-C152 HydrophobicContact CG1-CB 3.85Å; I134-L153 HydrophobicContact CG2-CB 4.08Å; I134-F178 HydrophobicContact CB-CE1 4.19Å; I134-F178 HydrophobicContact CB-CZ 3.92Å; I134-F178 HydrophobicContact CG2-CE1 3.71Å; I134-F178 HydrophobicContact CG2-CZ 3.79Å |
| 135 | D | 93 | Very high | 87.4 | Confident | 21 Ų | 21 | 60 Ų | 60 | 11% | 0.112 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.9 | -47.5 | 179.7 | -159 | 62.7 | 0 | 0 | 0 | 113 | V131 D132 K133 Y137 L138 Q139 I177 F178 R181 | V131-D135 VanDerWaalsContact O-CB 3.24Å; V131-D135 WeakPolarHBondContact O-CB 3.45Å; V131-D135 PolarHBondContact O-N 3.08Å; D132-D135 WeakPolarHBondContact O-CB 3.45Å; D132-D135 PolarHBondContact O-N 3.43Å; K133-D135 PolarHBondContact O-N 3.18Å; D135-Y137 PolarHBondContact O-N 3.49Å; D135-L138 PolarHBondContact O-N 3.09Å; D135-Q139 WeakPolarHBondContact O-CG 3.17Å; D135-Q139 PolarHBondContact O-N 2.98Å; D135-Q139 VanDerWaalsContact O-N 3.07Å; D135-Q139 PolarHBondContact OD2-NE2 2.9Å; D135-I177 VanDerWaalsContact OD1-CG2 3.24Å; D135-I177 WeakPolarHBondContact OD1-CG2 3.31Å; D135-F178 HydrophobicContact CB-CE1 3.91Å; D135-F178 HydrophobicContact CB-CZ 4.33Å; D135-R181 VanDerWaalsContact CG-NH2 3.3Å; D135-R181 IonicContact OD1-CZ 3.78Å; D135-R181 IonicContact OD1-NE 2.73Å; D135-R181 PolarHBondContact OD1-NE 2.85Å; D135-R181 IonicContact OD1-NH1 3.77Å; D135-R181 PolarHBondContact OD1-NH1 3.01Å; D135-R181 IonicContact OD1-NH2 2.73Å; D135-R181 PolarHBondContact OD1-NH2 3.22Å; D135-R181 VanDerWaalsContact OD1-NH2 3.14Å; D135-R181 IonicContact OD2-CZ 3.14Å; D135-R181 IonicContact OD2-NH1 3.23Å; D135-R181 PolarHBondContact OD2-NH1 3.37Å; D135-R181 IonicContact OD2-NH2 2.67Å; D135-R181 PolarHBondContact OD2-NH2 3.17Å |
| 136 | Y | 92.3 | Very high | 87.5 | Confident | 154 Ų | 154 | 59.2 Ų | 59.2 | 60% | 0.604 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -57.8 | -49 | 177.4 | 175 | -98.7 | 0 | 0 | 0 | 112.4 | D132 K133 Q139 S140 | D132-Y136 WeakPolarHBondContact O-CB 3.35Å; D132-Y136 PolarHBondContact O-N 3.33Å; K133-Y136 PolarHBondContact O-N 3.48Å; Y136-Q139 PolarHBondContact O-N 3.22Å; Y136-S140 PolarHBondContact O-N 2.95Å |
| 137 | Y | 91.4 | Very high | 87.7 | Confident | 52 Ų | 52 | 53.6 Ų | 53.6 | 20% | 0.204 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -71.6 | -32.1 | -179.6 | -75.5 | -66.9 | 0 | 0 | 0 | 112.6 | V97 E98 I101 K133 I134 D135 Q139 S140 S145 S149 | V97-Y137 HydrophobicContact CG1-CD2 3.91Å; V97-Y137 HydrophobicContact CG1-CE2 4.31Å; E98-Y137 HydrophobicContact CG-CE2 3.87Å; E98-Y137 WeakPolarHBondContact CG-OH 3.4Å; E98-Y137 WeakPolarHBondContact OE1-CE2 3.5Å; E98-Y137 PolarHBondContact OE1-OH 3.28Å; I101-Y137 HydrophobicContact CD1-CD1 3.73Å; I101-Y137 HydrophobicContact CD1-CD2 3.7Å; I101-Y137 HydrophobicContact CD1-CE1 4.31Å; I101-Y137 HydrophobicContact CD1-CE2 4.27Å; I101-Y137 HydrophobicContact CD1-CG 3.42Å; I101-Y137 VanDerWaalsContact CD1-CG 3.42Å; K133-Y137 WeakPolarHBondContact O-CD2 3.39Å; K133-Y137 PolarHBondContact O-N 3.44Å; I134-Y137 PolarHBondContact O-N 3.09Å; D135-Y137 PolarHBondContact O-N 3.49Å; Y137-Q139 VanDerWaalsContact C-N 3.31Å; Y137-Q139 PolarHBondContact O-N 3.05Å; Y137-S140 WeakPolarHBondContact O-CB 3.47Å; Y137-S140 PolarHBondContact O-N 2.91Å; Y137-S140 PolarHBondContact O-OG 3.42Å; Y137-S145 PolarHBondContact O-OG 3.24Å; Y137-S149 VanDerWaalsContact CB-OG 3.22Å; Y137-S149 WeakPolarHBondContact CB-OG 3.49Å |
| 138 | L | 89.7 | Confident | 87.6 | Confident | 4 Ų | 4 | 53.4 Ų | 53.4 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.5 | -30.3 | 175.9 | -164.2 | 65.8 | 0 | 0 | 0 | 112.6 | I134 D135 S140 L150 F178 R181 I182 Q185 | I134-L138 VanDerWaalsContact O-CB 3.25Å; I134-L138 WeakPolarHBondContact O-CB 3.39Å; I134-L138 PolarHBondContact O-N 3.2Å; D135-L138 PolarHBondContact O-N 3.09Å; L138-S140 VanDerWaalsContact C-N 3.32Å; L138-L150 HydrophobicContact CD1-CD2 3.94Å; L138-L150 HydrophobicContact CD1-CG 4.14Å; L138-F178 HydrophobicContact CD2-CD1 4.14Å; L138-R181 HydrophobicContact CD2-CB 4.46Å; L138-I182 HydrophobicContact CD2-CG2 4.15Å; L138-Q185 PolarHBondContact O-NE2 3.37Å |
| 139 | Q | 87.8 | Confident | 87.8 | Confident | 123 Ų | 123 | 49.8 Ų | 49.8 | 58% | 0.575 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -75.9 | -16.5 | 173.9 | -71.3 | -179 | 3.3 | 0 | 0 | 114.2 | D135 Y136 Y137 Q141 R181 | D135-Q139 WeakPolarHBondContact O-CG 3.17Å; D135-Q139 PolarHBondContact O-N 2.98Å; D135-Q139 VanDerWaalsContact O-N 3.07Å; D135-Q139 PolarHBondContact OD2-NE2 2.9Å; Y136-Q139 PolarHBondContact O-N 3.22Å; Y137-Q139 VanDerWaalsContact C-N 3.31Å; Y137-Q139 PolarHBondContact O-N 3.05Å; Q139-Q141 PolarHBondContact O-N 3.48Å; Q139-R181 VanDerWaalsContact NE2-CZ 3.32Å; Q139-R181 VanDerWaalsContact NE2-NH2 3.13Å |
| 140 | S | 83.4 | Confident | 88 | Confident | 35 Ų | 35 | 47.9 Ų | 47.9 | 25% | 0.245 | 25% | 0.252 | C | S | . | . | trans | -63.8 | 139.7 | -174.7 | 69.9 | 0 | 0 | 0 | 0 | 111.3 | Y136 Y137 L138 S142 S145 W146 | Y136-S140 PolarHBondContact O-N 2.95Å; Y137-S140 WeakPolarHBondContact O-CB 3.47Å; Y137-S140 PolarHBondContact O-N 2.91Å; Y137-S140 PolarHBondContact O-OG 3.42Å; L138-S140 VanDerWaalsContact C-N 3.32Å; S140-S142 PolarHBondContact O-N 3.39Å; S140-S145 PolarHBondContact OG-OG 3.45Å; S140-W146 PolarHBondContact O-NE1 2.83Å | ||
| 141 | Q | 72.3 | Confident | 88.1 | Confident | 198 Ų | 198 | 49.2 Ų | 49.2 | 93% | 0.925 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -70.6 | -9.7 | -179.8 | -65.2 | -174.1 | 0.4 | 0 | 0 | 113.4 | Q139 S143 | Q139-Q141 PolarHBondContact O-N 3.48Å; Q141-S143 PolarHBondContact O-N 3.08Å |
| 142 | S | 72.4 | Confident | 88.2 | Confident | 75 Ų | 75 | 48.5 Ų | 48.5 | 52% | 0.524 | 26% | 0.255 | S | S | . | . | trans | -81.2 | 105.3 | 178.8 | 171.5 | 0 | 0 | 0 | 0 | 109.8 | S140 G144 S145 | S140-S142 PolarHBondContact O-N 3.39Å; S142-G144 PolarHBondContact O-N 3.33Å; S142-S145 PolarHBondContact O-N 3.31Å; S142-S145 PolarHBondContact O-OG 2.97Å | ||
| 143 | S | 68.5 | Low | 88.3 | Confident | 63 Ų | 63 | 43.3 Ų | 43.3 | 44% | 0.441 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -53.1 | -24.5 | 175.6 | 58.9 | 0 | 0 | 0 | 0 | 113.7 | Q141 S145 W146 Y196 | Q141-S143 PolarHBondContact O-N 3.08Å; S143-S145 VanDerWaalsContact C-N 3.27Å; S143-S145 PolarHBondContact O-N 3.44Å; S143-W146 PolarHBondContact O-N 2.96Å; S143-Y196 WeakPolarHBondContact O-CE1 3.35Å; S143-Y196 PolarHBondContact O-OH 2.91Å |
| 144 | G | 74.6 | Confident | 88.6 | Confident | 46 Ų | 46 | 42.4 Ų | 42.4 | 47% | 0.474 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -66.2 | -16.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | S142 | S142-G144 PolarHBondContact O-N 3.33Å |
| 145 | S | 85.3 | Confident | 88.7 | Confident | 7 Ų | 7 | 42.8 Ų | 42.8 | 5% | 0.049 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -92.7 | -18.5 | 177.4 | 64 | 0 | 0 | 0 | 0 | 113.3 | Y137 S140 S142 S143 L147 G148 S149 | Y137-S145 PolarHBondContact O-OG 3.24Å; S140-S145 PolarHBondContact OG-OG 3.45Å; S142-S145 PolarHBondContact O-N 3.31Å; S142-S145 PolarHBondContact O-OG 2.97Å; S143-S145 VanDerWaalsContact C-N 3.27Å; S143-S145 PolarHBondContact O-N 3.44Å; S145-L147 PolarHBondContact O-N 3.5Å; S145-G148 PolarHBondContact O-N 3.16Å; S145-S149 WeakPolarHBondContact O-CB 3.49Å; S145-S149 PolarHBondContact O-N 3.02Å; S145-S149 PolarHBondContact O-OG 2.97Å |
| 146 | W | 90.6 | Very high | 88.8 | Confident | 42 Ų | 42 | 41.8 Ų | 41.8 | 16% | 0.159 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.1 | -43.3 | -170.9 | -67.2 | -7 | 0 | 0 | 0 | 112.2 | S140 S143 G148 S149 L150 L189 L200 | S140-W146 PolarHBondContact O-NE1 2.83Å; S143-W146 PolarHBondContact O-N 2.96Å; W146-G148 PolarHBondContact O-N 2.88Å; W146-S149 PolarHBondContact O-N 3.41Å; W146-L150 WeakPolarHBondContact O-CB 3.31Å; W146-L150 VanDerWaalsContact O-CG 3.23Å; W146-L150 WeakPolarHBondContact O-CG 3.39Å; W146-L150 PolarHBondContact O-N 3.04Å; W146-L189 HydrophobicContact CZ3-CD2 4.12Å; W146-L200 HydrophobicContact CB-CD1 4.37Å; W146-L200 HydrophobicContact CB-CD2 3.93Å; W146-L200 HydrophobicContact CE3-CD1 3.83Å |
| 147 | L | 92.1 | Very high | 89 | Confident | 18 Ų | 18 | 34.5 Ų | 34.5 | 9% | 0.094 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.4 | -47.9 | -180 | -178.4 | 60.7 | 0 | 0 | 0 | 111.6 | S145 S149 L150 L151 Y196 L199 L200 | S145-L147 PolarHBondContact O-N 3.5Å; L147-S149 VanDerWaalsContact C-N 3.35Å; L147-S149 PolarHBondContact O-N 3.14Å; L147-L150 PolarHBondContact O-N 3.29Å; L147-L151 HydrophobicContact CD1-CD1 4.3Å; L147-L151 HydrophobicContact CD1-CG 4.44Å; L147-L151 HydrophobicContact CG-CD1 4.11Å; L147-L151 WeakPolarHBondContact O-CB 3.31Å; L147-L151 VanDerWaalsContact O-CG 3.23Å; L147-L151 WeakPolarHBondContact O-CG 3.22Å; L147-L151 PolarHBondContact O-N 3.34Å; L147-Y196 HydrophobicContact CB-CE2 4.5Å; L147-Y196 HydrophobicContact CD2-CE2 4.48Å; L147-L199 HydrophobicContact CD1-CD2 4.32Å; L147-L199 HydrophobicContact CD1-CG 4.21Å; L147-L199 HydrophobicContact CD2-CD2 3.82Å; L147-L200 HydrophobicContact CB-CD2 3.78Å; L147-L200 HydrophobicContact CD1-CD2 4.24Å |
| 148 | G | 92.6 | Very high | 89.1 | Confident | 2 Ų | 2 | 34 Ų | 34 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.5 | -41.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S145 W146 L151 C152 | S145-G148 PolarHBondContact O-N 3.16Å; W146-G148 PolarHBondContact O-N 2.88Å; G148-L151 PolarHBondContact O-N 3.43Å; G148-C152 PolarHBondContact O-N 3.18Å; G148-C152 PolarHBondContact O-SG 2.66Å |
| 149 | S | 94.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.8 | -44.3 | 178.6 | -51.6 | 0 | 0 | 0 | 0 | 112 | Y137 S145 W146 L147 L151 C152 L153 | Y137-S149 VanDerWaalsContact CB-OG 3.22Å; Y137-S149 WeakPolarHBondContact CB-OG 3.49Å; S145-S149 WeakPolarHBondContact O-CB 3.49Å; S145-S149 PolarHBondContact O-N 3.02Å; S145-S149 PolarHBondContact O-OG 2.97Å; W146-S149 PolarHBondContact O-N 3.41Å; L147-S149 VanDerWaalsContact C-N 3.35Å; L147-S149 PolarHBondContact O-N 3.14Å; S149-L151 VanDerWaalsContact C-N 3.34Å; S149-L151 PolarHBondContact O-N 3.28Å; S149-C152 WeakPolarHBondContact O-CB 3.43Å; S149-C152 PolarHBondContact O-N 3.42Å; S149-L153 PolarHBondContact O-N 2.92Å |
| 150 | L | 96.4 | Very high | 89.6 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.2 | -35.3 | 175.9 | -69.8 | 171 | 0 | 0 | 0 | 112 | L138 W146 L147 C152 L153 Y154 I182 L200 Q203 I204 I207 | L138-L150 HydrophobicContact CD1-CD2 3.94Å; L138-L150 HydrophobicContact CD1-CG 4.14Å; W146-L150 WeakPolarHBondContact O-CB 3.31Å; W146-L150 VanDerWaalsContact O-CG 3.23Å; W146-L150 WeakPolarHBondContact O-CG 3.39Å; W146-L150 PolarHBondContact O-N 3.04Å; L147-L150 PolarHBondContact O-N 3.29Å; L150-C152 VanDerWaalsContact C-N 3.34Å; L150-L153 PolarHBondContact O-N 3.42Å; L150-Y154 WeakPolarHBondContact O-CB 3.34Å; L150-Y154 PolarHBondContact O-N 2.85Å; L150-I182 HydrophobicContact CD2-CG2 3.88Å; L150-L200 HydrophobicContact CD1-CB 4.45Å; L150-L200 HydrophobicContact CD1-CD2 3.84Å; L150-Q203 HydrophobicContact CB-CG 3.72Å; L150-I204 HydrophobicContact CD1-CD1 4.24Å; L150-I204 HydrophobicContact CD1-CG1 3.8Å; L150-I204 HydrophobicContact CD2-CG1 3.8Å; L150-I204 HydrophobicContact CG-CG1 4.46Å; L150-I207 HydrophobicContact CB-CD1 4.05Å; L150-I207 HydrophobicContact CD2-CD1 3.78Å; L150-I207 WeakPolarHBondContact O-CD1 3.41Å |
| 151 | L | 95.9 | Very high | 89.8 | Confident | 29 Ų | 29 | 28.5 Ų | 28.5 | 15% | 0.152 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.9 | -39.1 | 172.6 | -74.6 | 167.9 | 0 | 0 | 0 | 111.5 | R108 T112 L147 G148 S149 Y154 Q155 Q203 | R108-L151 HydrophobicContact CG-CD1 4.13Å; T112-L151 HydrophobicContact CG2-CB 4.05Å; L147-L151 HydrophobicContact CD1-CD1 4.3Å; L147-L151 HydrophobicContact CD1-CG 4.44Å; L147-L151 HydrophobicContact CG-CD1 4.11Å; L147-L151 WeakPolarHBondContact O-CB 3.31Å; L147-L151 VanDerWaalsContact O-CG 3.23Å; L147-L151 WeakPolarHBondContact O-CG 3.22Å; L147-L151 PolarHBondContact O-N 3.34Å; G148-L151 PolarHBondContact O-N 3.43Å; S149-L151 VanDerWaalsContact C-N 3.34Å; S149-L151 PolarHBondContact O-N 3.28Å; L151-Y154 PolarHBondContact O-N 3.31Å; L151-Q155 WeakPolarHBondContact O-CG 3.3Å; L151-Q155 PolarHBondContact O-N 3.46Å; L151-Q155 VanDerWaalsContact O-N 3.16Å; L151-Q203 HydrophobicContact CD2-CG 4.43Å |
| 152 | C | 96.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.6 | -47.6 | 173.5 | -63.3 | 0 | 0 | 0 | 0 | 111.6 | L115 I134 G148 S149 L150 Y154 Q155 L156 | L115-C152 HydrophobicContact CD2-CB 3.62Å; I134-C152 HydrophobicContact CD1-CB 3.89Å; I134-C152 HydrophobicContact CG1-CB 3.85Å; G148-C152 PolarHBondContact O-N 3.18Å; G148-C152 PolarHBondContact O-SG 2.66Å; S149-C152 WeakPolarHBondContact O-CB 3.43Å; S149-C152 PolarHBondContact O-N 3.42Å; L150-C152 VanDerWaalsContact C-N 3.34Å; C152-Y154 VanDerWaalsContact C-N 3.26Å; C152-Y154 PolarHBondContact O-N 2.88Å; C152-Q155 PolarHBondContact O-N 2.89Å; C152-Q155 VanDerWaalsContact O-N 3.13Å; C152-L156 PolarHBondContact O-N 3.34Å; C152-L156 VanDerWaalsContact O-N 3.14Å |
| 153 | L | 97.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.7 | -39.1 | 175.6 | 178.9 | 56.2 | 0 | 0 | 0 | 111.7 | I134 S149 L150 Q155 L156 V157 M175 F178 I182 I207 | I134-L153 HydrophobicContact CG2-CB 4.08Å; S149-L153 PolarHBondContact O-N 2.92Å; L150-L153 PolarHBondContact O-N 3.42Å; L153-Q155 PolarHBondContact O-N 3.47Å; L153-L156 HydrophobicContact CD1-CD2 4.34Å; L153-L156 WeakPolarHBondContact O-CB 3.36Å; L153-L156 PolarHBondContact O-N 2.96Å; L153-V157 HydrophobicContact CD1-CG2 4.36Å; L153-V157 WeakPolarHBondContact O-CG2 3.45Å; L153-V157 PolarHBondContact O-N 3.1Å; L153-M175 HydrophobicContact CD1-SD 4.05Å; L153-F178 HydrophobicContact CD1-CB 4.13Å; L153-F178 HydrophobicContact CD1-CD1 4.41Å; L153-F178 HydrophobicContact CD1-CD2 3.47Å; L153-F178 VanDerWaalsContact CD1-CD2 3.47Å; L153-F178 HydrophobicContact CD1-CE2 3.9Å; L153-F178 HydrophobicContact CD1-CG 3.76Å; L153-F178 HydrophobicContact CD2-CB 3.88Å; L153-F178 HydrophobicContact CD2-CD1 4.29Å; L153-F178 HydrophobicContact CD2-CG 4.02Å; L153-I182 HydrophobicContact CD2-CG2 3.88Å; L153-I207 HydrophobicContact CB-CD1 4.24Å; L153-I207 HydrophobicContact CD2-CD1 4.07Å; L153-I207 HydrophobicContact CD2-CG2 4.13Å; L153-I207 HydrophobicContact CG-CD1 4.13Å; L153-I207 HydrophobicContact CG-CG2 4.07Å |
| 154 | Y | 97.4 | Very high | 91.8 | Very high | 20 Ų | 20 | 32.1 Ų | 32.1 | 8% | 0.078 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.6 | -41.5 | 175.8 | -178.4 | -117.4 | 0 | 0 | 0 | 112.5 | L150 L151 C152 L156 V157 K158 K206 I207 A210 | L150-Y154 WeakPolarHBondContact O-CB 3.34Å; L150-Y154 PolarHBondContact O-N 2.85Å; L151-Y154 PolarHBondContact O-N 3.31Å; C152-Y154 VanDerWaalsContact C-N 3.26Å; C152-Y154 PolarHBondContact O-N 2.88Å; Y154-L156 VanDerWaalsContact C-N 3.3Å; Y154-L156 PolarHBondContact O-N 3.17Å; Y154-V157 PolarHBondContact O-N 2.85Å; Y154-K158 HydrophobicContact CE1-CD 4.29Å; Y154-K158 HydrophobicContact CE2-CD 4.13Å; Y154-K158 WeakPolarHBondContact O-CB 3.35Å; Y154-K158 PolarHBondContact O-N 3.49Å; Y154-K206 HydrophobicContact CD2-CB 4.18Å; Y154-K206 HydrophobicContact CE2-CB 3.85Å; Y154-K206 WeakPolarHBondContact CE2-O 3.44Å; Y154-K206 WeakPolarHBondContact OH-CE 3.41Å; Y154-K206 PolarHBondContact OH-NZ 3.11Å; Y154-I207 HydrophobicContact CD2-CG1 4.01Å; Y154-I207 HydrophobicContact CG-CG1 4.35Å; Y154-A210 HydrophobicContact CE2-CB 4.09Å |
| 155 | Q | 96.8 | Very high | 92 | Very high | 9 Ų | 9 | 33.6 Ų | 33.6 | 4% | 0.042 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.7 | -35.4 | 175.7 | -58.6 | -48.5 | -43.1 | 0 | 0 | 112.3 | T112 L115 R116 I119 L151 C152 L153 T159 | T112-Q155 HydrophobicContact CG2-CG 4.45Å; T112-Q155 WeakPolarHBondContact O-CG 3.49Å; L115-Q155 HydrophobicContact CD2-CB 4.43Å; R116-Q155 HydrophobicContact CB-CB 4.23Å; R116-Q155 HydrophobicContact CB-CG 4.45Å; I119-Q155 HydrophobicContact CD1-CB 4.34Å; L151-Q155 WeakPolarHBondContact O-CG 3.3Å; L151-Q155 PolarHBondContact O-N 3.46Å; L151-Q155 VanDerWaalsContact O-N 3.16Å; C152-Q155 PolarHBondContact O-N 2.89Å; C152-Q155 VanDerWaalsContact O-N 3.13Å; L153-Q155 PolarHBondContact O-N 3.47Å; Q155-T159 PolarHBondContact O-N 3.3Å; Q155-T159 VanDerWaalsContact O-N 3.13Å; Q155-T159 PolarHBondContact O-OG1 2.86Å |
| 156 | L | 96.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.8 | -53.6 | 173.4 | -178.6 | 63.2 | 0 | 0 | 0 | 110.9 | I119 F123 V131 C152 L153 Y154 T159 Y160 L171 A174 F178 | I119-L156 HydrophobicContact CD1-CB 4.08Å; I119-L156 HydrophobicContact CD1-CD1 4.33Å; I119-L156 HydrophobicContact CG2-CD1 3.67Å; F123-L156 HydrophobicContact CD1-CD1 3.61Å; F123-L156 HydrophobicContact CD2-CD1 4.47Å; F123-L156 HydrophobicContact CE1-CD1 3.7Å; F123-L156 HydrophobicContact CG-CD1 4.03Å; F123-L156 HydrophobicContact CZ-CD1 4.2Å; V131-L156 HydrophobicContact CG2-CD2 4.43Å; C152-L156 PolarHBondContact O-N 3.34Å; C152-L156 VanDerWaalsContact O-N 3.14Å; L153-L156 HydrophobicContact CD1-CD2 4.34Å; L153-L156 WeakPolarHBondContact O-CB 3.36Å; L153-L156 PolarHBondContact O-N 2.96Å; Y154-L156 VanDerWaalsContact C-N 3.3Å; Y154-L156 PolarHBondContact O-N 3.17Å; L156-T159 PolarHBondContact O-N 3.23Å; L156-Y160 HydrophobicContact CD1-CE2 4.45Å; L156-Y160 WeakPolarHBondContact O-CD2 3.43Å; L156-L171 HydrophobicContact CG-CD1 4.32Å; L156-A174 HydrophobicContact CD2-CB 4.24Å; L156-F178 HydrophobicContact CD2-CE2 4.29Å |
| 157 | V | 96.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.2 | -45.1 | 179.4 | -178.9 | 0 | 0 | 0 | 0 | 111.6 | L153 Y154 T159 Y160 E161 L171 M175 I207 A210 L211 | L153-V157 HydrophobicContact CD1-CG2 4.36Å; L153-V157 WeakPolarHBondContact O-CG2 3.45Å; L153-V157 PolarHBondContact O-N 3.1Å; Y154-V157 PolarHBondContact O-N 2.85Å; V157-T159 PolarHBondContact O-N 2.96Å; V157-Y160 PolarHBondContact O-N 3.21Å; V157-E161 PolarHBondContact O-N 3.22Å; V157-L171 HydrophobicContact CB-CD1 4.43Å; V157-L171 HydrophobicContact CG1-CD2 4.32Å; V157-L171 HydrophobicContact CG2-CD1 4.01Å; V157-M175 HydrophobicContact CG2-CE 4.46Å; V157-M175 HydrophobicContact CG2-SD 3.87Å; V157-I207 HydrophobicContact CG2-CG2 4Å; V157-A210 HydrophobicContact CG1-CB 3.75Å; V157-L211 HydrophobicContact CG1-CB 4.06Å |
| 158 | K | 94.1 | Very high | 91.6 | Very high | 43 Ų | 43 | 43.8 Ų | 43.8 | 19% | 0.187 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.9 | -22.3 | -178.7 | -162.9 | 81.2 | 179.3 | 153.8 | 0 | 113.3 | R116 Y154 Y160 E161 | R116-K158 PolarHBondContact NH2-O 3.34Å; Y154-K158 HydrophobicContact CE1-CD 4.29Å; Y154-K158 HydrophobicContact CE2-CD 4.13Å; Y154-K158 WeakPolarHBondContact O-CB 3.35Å; Y154-K158 PolarHBondContact O-N 3.49Å; K158-Y160 VanDerWaalsContact C-N 3.3Å; K158-E161 WeakPolarHBondContact CD-OE2 3.45Å; K158-E161 WeakPolarHBondContact CE-OE2 3.31Å; K158-E161 IonicContact NZ-OE1 2.95Å; K158-E161 PolarHBondContact NZ-OE1 2.92Å; K158-E161 IonicContact NZ-OE2 2.74Å; K158-E161 PolarHBondContact NZ-OE2 3.09Å |
| 159 | T | 93.6 | Very high | 91.6 | Very high | 26 Ų | 26 | 48 Ų | 48 | 16% | 0.16 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -72.8 | -27.1 | 176.5 | -59.7 | 0 | 0 | 0 | 0 | 112.1 | I119 K120 Q155 L156 V157 | I119-T159 HydrophobicContact CG2-CG2 4.08Å; K120-T159 HydrophobicContact CB-CG2 3.83Å; K120-T159 HydrophobicContact CG-CG2 4.29Å; Q155-T159 PolarHBondContact O-N 3.3Å; Q155-T159 VanDerWaalsContact O-N 3.13Å; Q155-T159 PolarHBondContact O-OG1 2.86Å; L156-T159 PolarHBondContact O-N 3.23Å; V157-T159 PolarHBondContact O-N 2.96Å |
| 160 | Y | 93.1 | Very high | 91.5 | Very high | 18 Ų | 18 | 49.6 Ų | 49.6 | 7% | 0.071 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -102.9 | 3.9 | 178.9 | -71.1 | -92.2 | 0 | 0 | 0 | 113.1 | F123 P124 L156 V157 K158 Y162 K163 E167 R168 L171 | F123-Y160 AromaticContact CD1-CE2 3.7Å; F123-Y160 HydrophobicContact CD1-CE2 3.7Å; F123-Y160 AromaticContact CD1-CZ 3.86Å; F123-Y160 WeakPolarHBondContact CD1-OH 3.5Å; F123-Y160 AromaticContact CE1-CE2 3.87Å; F123-Y160 HydrophobicContact CE1-CE2 3.87Å; F123-Y160 PolarHBondContact O-OH 3.41Å; P124-Y160 WeakPolarHBondContact CD-OH 3.46Å; L156-Y160 HydrophobicContact CD1-CE2 4.45Å; L156-Y160 WeakPolarHBondContact O-CD2 3.43Å; V157-Y160 PolarHBondContact O-N 3.21Å; K158-Y160 VanDerWaalsContact C-N 3.3Å; Y160-Y162 VanDerWaalsContact C-N 3.33Å; Y160-Y162 PolarHBondContact O-N 2.97Å; Y160-K163 HydrophobicContact CD1-CB 4.31Å; Y160-K163 HydrophobicContact CD1-CG 4.14Å; Y160-K163 WeakPolarHBondContact O-CB 3.48Å; Y160-K163 PolarHBondContact O-N 3.36Å; Y160-K163 VanDerWaalsContact O-N 3.11Å; Y160-E167 WeakPolarHBondContact CE1-O 3.47Å; Y160-R168 PolarHBondContact O-NH1 2.92Å; Y160-L171 HydrophobicContact CD1-CB 4.25Å; Y160-L171 HydrophobicContact CD2-CB 3.98Å; Y160-L171 HydrophobicContact CE2-CB 4.45Å; Y160-L171 HydrophobicContact CG-CB 3.87Å; Y160-L171 HydrophobicContact CG-CD2 4.26Å |
| 161 | E | 88.9 | Confident | 91.5 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -45.9 | -173.4 | -178.8 | 174.5 | -137.1 | 0 | 0 | 112.9 | V157 K158 R168 Q213 Y214 | V157-E161 PolarHBondContact O-N 3.22Å; K158-E161 WeakPolarHBondContact CD-OE2 3.45Å; K158-E161 WeakPolarHBondContact CE-OE2 3.31Å; K158-E161 IonicContact NZ-OE1 2.95Å; K158-E161 PolarHBondContact NZ-OE1 2.92Å; K158-E161 IonicContact NZ-OE2 2.74Å; K158-E161 PolarHBondContact NZ-OE2 3.09Å; E161-R168 PolarHBondContact O-NH1 3.21Å; E161-Q213 PolarHBondContact OE1-OE1 3.07Å; E161-Y214 HydrophobicContact CG-CD2 4.03Å; E161-Y214 HydrophobicContact CG-CE2 3.95Å; E161-Y214 WeakPolarHBondContact O-CD2 3.13Å |
| 162 | Y | 87.5 | Confident | 91.4 | Very high | 155 Ų | 155 | 48.5 Ų | 48.5 | 61% | 0.608 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | 8.2 | -179.3 | -55.4 | -83.7 | 0 | 0 | 0 | 113.5 | Y160 Y214 | Y160-Y162 VanDerWaalsContact C-N 3.33Å; Y160-Y162 PolarHBondContact O-N 2.97Å; Y162-Y214 HydrophobicContact CD1-CD2 4.49Å; Y162-Y214 AromaticContact CD1-CE2 3.82Å; Y162-Y214 HydrophobicContact CD1-CE2 3.82Å; Y162-Y214 AromaticContact CD1-CZ 3.99Å; Y162-Y214 AromaticContact CE1-CE2 3.6Å; Y162-Y214 HydrophobicContact CE1-CE2 3.6Å; Y162-Y214 AromaticContact CE1-CZ 3.64Å; Y162-Y214 VanDerWaalsContact CE1-OH 3.3Å; Y162-Y214 WeakPolarHBondContact CE1-OH 3.4Å |
| 163 | K | 86.7 | Confident | 91.2 | Very high | 91 Ų | 91 | 52.8 Ų | 52.8 | 40% | 0.396 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -78.9 | 142.6 | 179.5 | -74.7 | -75.2 | -179.6 | -179.4 | 0 | 110.8 | Y160 E167 R168 | Y160-K163 HydrophobicContact CD1-CB 4.31Å; Y160-K163 HydrophobicContact CD1-CG 4.14Å; Y160-K163 WeakPolarHBondContact O-CB 3.48Å; Y160-K163 PolarHBondContact O-N 3.36Å; Y160-K163 VanDerWaalsContact O-N 3.11Å; K163-E167 HydrophobicContact CB-CB 4.18Å; K163-E167 HydrophobicContact CD-CB 4.08Å; K163-E167 WeakPolarHBondContact CD-OE2 3.43Å; K163-E167 IonicContact NZ-OE1 3.21Å; K163-E167 PolarHBondContact NZ-OE1 3.01Å; K163-E167 IonicContact NZ-OE2 2.93Å; K163-E167 PolarHBondContact NZ-OE2 3.27Å; K163-R168 HydrophobicContact CB-CG 4.07Å; K163-R168 WeakPolarHBondContact O-CD 3.3Å |
| 164 | K | 81.1 | Confident | 91.1 | Very high | 167 Ų | 167 | 53 Ų | 53 | 73% | 0.726 | 26% | 0.256 | S | S | * | . | trans | -61.1 | 154.2 | 175.7 | -65.3 | -170.5 | 179.9 | -172 | 0 | 110.2 | E166 E167 R168 | K164-E166 PolarHBondContact O-N 3.13Å; K164-E166 VanDerWaalsContact O-N 3.1Å; K164-E167 PolarHBondContact N-OE2 3.47Å; K164-E167 PolarHBondContact O-N 3.03Å; K164-R168 WeakPolarHBondContact O-CG 3.5Å; K164-R168 PolarHBondContact O-N 2.84Å | ||
| 165 | A | 79.1 | Confident | 91.1 | Very high | 77 Ų | 77 | 52 Ų | 52 | 64% | 0.636 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -51.6 | -39.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | E167 R168 | A165-E167 PolarHBondContact O-N 3.48Å; A165-R168 PolarHBondContact O-N 2.96Å |
| 166 | E | 81.7 | Confident | 91 | Very high | 183 Ų | 183 | 56.7 Ų | 56.7 | 86% | 0.855 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -65.1 | -35.4 | 179.3 | -58.9 | 178 | -178.6 | 0 | 0 | 113.3 | K164 R168 | K164-E166 PolarHBondContact O-N 3.13Å; K164-E166 VanDerWaalsContact O-N 3.1Å; E166-R168 VanDerWaalsContact C-N 3.3Å; E166-R168 PolarHBondContact O-N 3.25Å |
| 167 | E | 86.2 | Confident | 90.8 | Very high | 89 Ų | 89 | 59.9 Ų | 59.9 | 42% | 0.416 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -80.5 | -12.1 | 179.1 | -62.4 | -177.6 | 107 | 0 | 0 | 112.6 | Y160 K163 K164 A165 P170 | Y160-E167 WeakPolarHBondContact CE1-O 3.47Å; K163-E167 HydrophobicContact CB-CB 4.18Å; K163-E167 HydrophobicContact CD-CB 4.08Å; K163-E167 WeakPolarHBondContact CD-OE2 3.43Å; K163-E167 IonicContact NZ-OE1 3.21Å; K163-E167 PolarHBondContact NZ-OE1 3.01Å; K163-E167 IonicContact NZ-OE2 2.93Å; K163-E167 PolarHBondContact NZ-OE2 3.27Å; K164-E167 PolarHBondContact N-OE2 3.47Å; K164-E167 PolarHBondContact O-N 3.03Å; A165-E167 PolarHBondContact O-N 3.48Å; E167-P170 WeakPolarHBondContact O-CD 3.43Å |
| 168 | R | 91.3 | Very high | 90.8 | Very high | 9 Ų | 9 | 59.9 Ų | 59.9 | 3% | 0.034 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -84.2 | -8.6 | -178 | -66.1 | 174.5 | 83.9 | 106.6 | -2.1 | 113.6 | Y160 E161 K163 K164 A165 E166 P170 L171 I172 L211 | Y160-R168 PolarHBondContact O-NH1 2.92Å; E161-R168 PolarHBondContact O-NH1 3.21Å; K163-R168 HydrophobicContact CB-CG 4.07Å; K163-R168 WeakPolarHBondContact O-CD 3.3Å; K164-R168 WeakPolarHBondContact O-CG 3.5Å; K164-R168 PolarHBondContact O-N 2.84Å; A165-R168 PolarHBondContact O-N 2.96Å; E166-R168 VanDerWaalsContact C-N 3.3Å; E166-R168 PolarHBondContact O-N 3.25Å; R168-P170 VanDerWaalsContact C-N 3.32Å; R168-L171 WeakPolarHBondContact O-CA 3.27Å; R168-L171 VanDerWaalsContact O-CB 3.31Å; R168-L171 WeakPolarHBondContact O-CB 3.44Å; R168-L171 PolarHBondContact O-N 3.26Å; R168-I172 WeakPolarHBondContact O-CG1 3.46Å; R168-I172 PolarHBondContact O-N 3.37Å; R168-L211 PolarHBondContact NH2-O 3.34Å |
| 169 | E | 92.6 | Very high | 90.9 | Very high | 90 Ų | 90 | 58 Ų | 58 | 42% | 0.421 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -48.6 | -44.4 | -177.4 | -174.1 | 61.2 | -159.5 | 0 | 0 | 113.8 | L171 I172 I173 | E169-L171 VanDerWaalsContact C-N 3.31Å; E169-L171 PolarHBondContact O-N 3.43Å; E169-I172 PolarHBondContact O-N 3.39Å; E169-I172 VanDerWaalsContact O-N 3.11Å; E169-I173 HydrophobicContact CG-CD1 4.3Å; E169-I173 WeakPolarHBondContact O-CG1 3.46Å; E169-I173 PolarHBondContact O-N 3.39Å |
| 170 | P | 93.1 | Very high | 90.9 | Very high | 33 Ų | 33 | 60.2 Ų | 60.2 | 21% | 0.214 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63 | -35.8 | 177.3 | -20.6 | 33.5 | 0 | 0 | 0 | 113.6 | F123 P124 E167 R168 A174 | F123-P170 HydrophobicContact CE1-CB 3.98Å; F123-P170 HydrophobicContact CZ-CB 4.32Å; P124-P170 HydrophobicContact CB-CB 3.8Å; P124-P170 HydrophobicContact CB-CG 4.34Å; P124-P170 HydrophobicContact CG-CB 3.68Å; P124-P170 HydrophobicContact CG-CG 3.67Å; E167-P170 WeakPolarHBondContact O-CD 3.43Å; R168-P170 VanDerWaalsContact C-N 3.32Å; P170-A174 PolarHBondContact O-N 3.49Å |
| 171 | L | 94.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.3 | -43.9 | 173.7 | 173.7 | 66.8 | 0 | 0 | 0 | 110.4 | L156 V157 Y160 R168 E169 I173 A174 M175 L211 | L156-L171 HydrophobicContact CG-CD1 4.32Å; V157-L171 HydrophobicContact CB-CD1 4.43Å; V157-L171 HydrophobicContact CG1-CD2 4.32Å; V157-L171 HydrophobicContact CG2-CD1 4.01Å; Y160-L171 HydrophobicContact CD1-CB 4.25Å; Y160-L171 HydrophobicContact CD2-CB 3.98Å; Y160-L171 HydrophobicContact CE2-CB 4.45Å; Y160-L171 HydrophobicContact CG-CB 3.87Å; Y160-L171 HydrophobicContact CG-CD2 4.26Å; R168-L171 WeakPolarHBondContact O-CA 3.27Å; R168-L171 VanDerWaalsContact O-CB 3.31Å; R168-L171 WeakPolarHBondContact O-CB 3.44Å; R168-L171 PolarHBondContact O-N 3.26Å; E169-L171 VanDerWaalsContact C-N 3.31Å; E169-L171 PolarHBondContact O-N 3.43Å; L171-I173 VanDerWaalsContact C-N 3.32Å; L171-I173 PolarHBondContact O-N 3.13Å; L171-A174 PolarHBondContact O-N 3.36Å; L171-M175 HydrophobicContact CD1-CG 3.9Å; L171-M175 HydrophobicContact CG-CG 4.16Å; L171-M175 WeakPolarHBondContact O-CB 3.36Å; L171-M175 WeakPolarHBondContact O-CG 3.25Å; L171-M175 PolarHBondContact O-N 2.86Å; L171-L211 HydrophobicContact CD2-CD1 4.06Å |
| 172 | I | 94.1 | Very high | 91.2 | Very high | 8 Ų | 8 | 62.3 Ų | 62.3 | 4% | 0.041 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.6 | -45.4 | -179.4 | -59.3 | -52.3 | 0 | 0 | 0 | 110.4 | R168 E169 A174 M175 Q176 P217 Q219 L220 | R168-I172 WeakPolarHBondContact O-CG1 3.46Å; R168-I172 PolarHBondContact O-N 3.37Å; E169-I172 PolarHBondContact O-N 3.39Å; E169-I172 VanDerWaalsContact O-N 3.11Å; I172-A174 VanDerWaalsContact C-N 3.35Å; I172-A174 PolarHBondContact O-N 3.05Å; I172-M175 PolarHBondContact O-N 3.16Å; I172-M175 VanDerWaalsContact O-N 3.11Å; I172-Q176 PolarHBondContact O-N 3.31Å; I172-P217 HydrophobicContact CD1-CB 3.6Å; I172-P217 HydrophobicContact CD1-CG 3.97Å; I172-Q219 HydrophobicContact CG2-CG 4.02Å; I172-L220 HydrophobicContact CB-CD1 4.35Å; I172-L220 HydrophobicContact CD1-CD1 3.82Å; I172-L220 HydrophobicContact CG2-CD1 3.76Å; I172-L220 HydrophobicContact CG2-CD2 4.1Å; I172-L220 HydrophobicContact CG2-CG 3.79Å |
| 173 | I | 93.7 | Very high | 91.5 | Very high | 89 Ų | 89 | 56.3 Ų | 56.3 | 46% | 0.456 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -57.3 | -47.1 | 176.1 | -65.6 | 167.7 | 0 | 0 | 0 | 111 | E169 L171 M175 Q176 | E169-I173 HydrophobicContact CG-CD1 4.3Å; E169-I173 WeakPolarHBondContact O-CG1 3.46Å; E169-I173 PolarHBondContact O-N 3.39Å; L171-I173 VanDerWaalsContact C-N 3.32Å; L171-I173 PolarHBondContact O-N 3.13Å; I173-M175 VanDerWaalsContact C-N 3.31Å; I173-M175 PolarHBondContact O-N 3.22Å; I173-Q176 WeakPolarHBondContact O-CB 3.49Å; I173-Q176 PolarHBondContact O-N 3.06Å |
| 174 | A | 95.4 | Very high | 91.9 | Very high | 4 Ų | 4 | 57.9 Ų | 57.9 | 3% | 0.033 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.7 | -40.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | V131 L156 P170 L171 I172 Q176 I177 F178 | V131-A174 HydrophobicContact CG1-CB 4.48Å; V131-A174 HydrophobicContact CG2-CB 3.97Å; L156-A174 HydrophobicContact CD2-CB 4.24Å; P170-A174 PolarHBondContact O-N 3.49Å; L171-A174 PolarHBondContact O-N 3.36Å; I172-A174 VanDerWaalsContact C-N 3.35Å; I172-A174 PolarHBondContact O-N 3.05Å; A174-Q176 VanDerWaalsContact C-N 3.3Å; A174-Q176 PolarHBondContact O-N 3.49Å; A174-I177 WeakPolarHBondContact O-CB 3.42Å; A174-I177 PolarHBondContact O-N 3.49Å; A174-I177 VanDerWaalsContact O-N 3.11Å; A174-F178 HydrophobicContact CB-CD2 4.32Å; A174-F178 HydrophobicContact CB-CE2 4.23Å; A174-F178 WeakPolarHBondContact O-CD2 3.31Å; A174-F178 PolarHBondContact O-N 3.42Å |
| 175 | M | 96 | Very high | 92.4 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -72.2 | -17.6 | -179.3 | -69.6 | -54.1 | -68.8 | 0 | 0 | 114 | L153 V157 L171 I172 I173 I177 F178 L179 I182 I207 L211 L220 | L153-M175 HydrophobicContact CD1-SD 4.05Å; V157-M175 HydrophobicContact CG2-CE 4.46Å; V157-M175 HydrophobicContact CG2-SD 3.87Å; L171-M175 HydrophobicContact CD1-CG 3.9Å; L171-M175 HydrophobicContact CG-CG 4.16Å; L171-M175 WeakPolarHBondContact O-CB 3.36Å; L171-M175 WeakPolarHBondContact O-CG 3.25Å; L171-M175 PolarHBondContact O-N 2.86Å; I172-M175 PolarHBondContact O-N 3.16Å; I172-M175 VanDerWaalsContact O-N 3.11Å; I173-M175 VanDerWaalsContact C-N 3.31Å; I173-M175 PolarHBondContact O-N 3.22Å; M175-I177 PolarHBondContact O-N 3.11Å; M175-F178 HydrophobicContact CE-CB 4.37Å; M175-F178 PolarHBondContact O-N 3.35Å; M175-F178 HydrophobicContact SD-CB 3.99Å; M175-F178 HydrophobicContact SD-CD2 4.33Å; M175-L179 HydrophobicContact CE-CB 4.18Å; M175-L179 HydrophobicContact CE-CD1 4.3Å; M175-L179 WeakPolarHBondContact O-CB 3.45Å; M175-L179 PolarHBondContact O-N 3.12Å; M175-I182 HydrophobicContact CE-CD1 4.27Å; M175-I207 HydrophobicContact CE-CG2 4.32Å; M175-L211 HydrophobicContact CE-CD2 3.92Å; M175-L211 HydrophobicContact CG-CD1 4.06Å; M175-L211 HydrophobicContact CG-CD2 4.49Å; M175-L220 HydrophobicContact CB-CD1 3.63Å |
| 176 | Q | 94.7 | Very high | 93.2 | Very high | 108 Ų | 108 | 47.2 Ų | 47.2 | 51% | 0.505 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59 | -31.8 | 167.4 | -67.2 | 176.9 | -6.5 | 0 | 0 | 111.8 | I172 I173 A174 P180 L220 | I172-Q176 PolarHBondContact O-N 3.31Å; I173-Q176 WeakPolarHBondContact O-CB 3.49Å; I173-Q176 PolarHBondContact O-N 3.06Å; A174-Q176 VanDerWaalsContact C-N 3.3Å; A174-Q176 PolarHBondContact O-N 3.49Å; Q176-P180 WeakPolarHBondContact O-CD 3.4Å; Q176-L220 HydrophobicContact CB-CD2 4.24Å; Q176-L220 HydrophobicContact CG-CD2 3.43Å; Q176-L220 VanDerWaalsContact CG-CD2 3.43Å |
| 177 | I | 93.8 | Very high | 93.9 | Very high | 66 Ų | 66 | 41.7 Ų | 41.7 | 34% | 0.338 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -84.3 | -47.6 | 177.5 | -57 | 171.2 | 0 | 0 | 0 | 110.3 | V131 D135 A174 M175 R181 | V131-I177 HydrophobicContact CG1-CD1 4.22Å; D135-I177 VanDerWaalsContact OD1-CG2 3.24Å; D135-I177 WeakPolarHBondContact OD1-CG2 3.31Å; A174-I177 WeakPolarHBondContact O-CB 3.42Å; A174-I177 PolarHBondContact O-N 3.49Å; A174-I177 VanDerWaalsContact O-N 3.11Å; M175-I177 PolarHBondContact O-N 3.11Å; I177-R181 VanDerWaalsContact O-CD 3.26Å; I177-R181 WeakPolarHBondContact O-CD 3.32Å; I177-R181 VanDerWaalsContact O-CG 3.3Å; I177-R181 WeakPolarHBondContact O-CG 3.4Å; I177-R181 PolarHBondContact O-NE 2.93Å |
| 178 | F | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -80.4 | -37.5 | -170 | -65.8 | -56.2 | 0 | 0 | 0 | 114.4 | V131 I134 D135 L138 L153 L156 A174 M175 R181 I182 | V131-F178 HydrophobicContact CB-CE2 4.46Å; V131-F178 HydrophobicContact CB-CZ 4.46Å; V131-F178 HydrophobicContact CG1-CE2 3.79Å; V131-F178 HydrophobicContact CG1-CZ 3.81Å; V131-F178 WeakPolarHBondContact O-CZ 3.48Å; I134-F178 HydrophobicContact CB-CE1 4.19Å; I134-F178 HydrophobicContact CB-CZ 3.92Å; I134-F178 HydrophobicContact CG2-CE1 3.71Å; I134-F178 HydrophobicContact CG2-CZ 3.79Å; D135-F178 HydrophobicContact CB-CE1 3.91Å; D135-F178 HydrophobicContact CB-CZ 4.33Å; L138-F178 HydrophobicContact CD2-CD1 4.14Å; L153-F178 HydrophobicContact CD1-CB 4.13Å; L153-F178 HydrophobicContact CD1-CD1 4.41Å; L153-F178 HydrophobicContact CD1-CD2 3.47Å; L153-F178 VanDerWaalsContact CD1-CD2 3.47Å; L153-F178 HydrophobicContact CD1-CE2 3.9Å; L153-F178 HydrophobicContact CD1-CG 3.76Å; L153-F178 HydrophobicContact CD2-CB 3.88Å; L153-F178 HydrophobicContact CD2-CD1 4.29Å; L153-F178 HydrophobicContact CD2-CG 4.02Å; L156-F178 HydrophobicContact CD2-CE2 4.29Å; A174-F178 HydrophobicContact CB-CD2 4.32Å; A174-F178 HydrophobicContact CB-CE2 4.23Å; A174-F178 WeakPolarHBondContact O-CD2 3.31Å; A174-F178 PolarHBondContact O-N 3.42Å; M175-F178 HydrophobicContact CE-CB 4.37Å; M175-F178 PolarHBondContact O-N 3.35Å; M175-F178 HydrophobicContact SD-CB 3.99Å; M175-F178 HydrophobicContact SD-CD2 4.33Å; F178-R181 WeakPolarHBondContact O-CB 3.43Å; F178-R181 PolarHBondContact O-N 3.04Å; F178-R181 VanDerWaalsContact O-N 3.11Å; F178-I182 WeakPolarHBondContact O-CG1 3.36Å; F178-I182 PolarHBondContact O-N 3.22Å |
| 179 | L | 94.9 | Very high | 94.3 | Very high | 4 Ų | 4 | 43.3 Ų | 43.3 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.3 | -47.7 | -173 | -173.9 | 68.1 | 0 | 0 | 0 | 112.8 | M175 R181 I182 Q183 F208 L211 L220 V221 T225 W229 | M175-L179 HydrophobicContact CE-CB 4.18Å; M175-L179 HydrophobicContact CE-CD1 4.3Å; M175-L179 WeakPolarHBondContact O-CB 3.45Å; M175-L179 PolarHBondContact O-N 3.12Å; L179-R181 PolarHBondContact O-N 3.22Å; L179-I182 HydrophobicContact CD1-CD1 4.22Å; L179-I182 HydrophobicContact CD1-CG1 4.49Å; L179-I182 WeakPolarHBondContact O-CG1 3.48Å; L179-Q183 VanDerWaalsContact O-CB 3.31Å; L179-Q183 WeakPolarHBondContact O-CB 3.47Å; L179-Q183 PolarHBondContact O-N 3.11Å; L179-F208 HydrophobicContact CD1-CD2 3.96Å; L179-F208 HydrophobicContact CD1-CE2 4.21Å; L179-L211 HydrophobicContact CD1-CD2 4.28Å; L179-L220 HydrophobicContact CD2-CB 4.06Å; L179-V221 HydrophobicContact CD2-CG2 3.99Å; L179-T225 HydrophobicContact CD2-CG2 4.35Å; L179-W229 HydrophobicContact CD1-CZ2 3.84Å |
| 180 | P | 93.9 | Very high | 94.4 | Very high | 73 Ų | 73 | 40.3 Ų | 40.3 | 47% | 0.474 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.6 | -32.5 | 176.5 | -21.7 | 34.3 | 0 | 0 | 0 | 112.7 | Q176 Q184 | Q176-P180 WeakPolarHBondContact O-CD 3.4Å; P180-Q184 PolarHBondContact O-N 3.14Å |
| 181 | R | 92.6 | Very high | 94.4 | Very high | 62 Ų | 62 | 44.2 Ų | 44.2 | 23% | 0.234 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -72.2 | -49.7 | -178.4 | -65.7 | 176.1 | -178.3 | -147.7 | 13.1 | 112.1 | D135 L138 Q139 I177 F178 L179 Q183 Q184 Q185 | D135-R181 VanDerWaalsContact CG-NH2 3.3Å; D135-R181 IonicContact OD1-CZ 3.78Å; D135-R181 IonicContact OD1-NE 2.73Å; D135-R181 PolarHBondContact OD1-NE 2.85Å; D135-R181 IonicContact OD1-NH1 3.77Å; D135-R181 PolarHBondContact OD1-NH1 3.01Å; D135-R181 IonicContact OD1-NH2 2.73Å; D135-R181 PolarHBondContact OD1-NH2 3.22Å; D135-R181 VanDerWaalsContact OD1-NH2 3.14Å; D135-R181 IonicContact OD2-CZ 3.14Å; D135-R181 IonicContact OD2-NH1 3.23Å; D135-R181 PolarHBondContact OD2-NH1 3.37Å; D135-R181 IonicContact OD2-NH2 2.67Å; D135-R181 PolarHBondContact OD2-NH2 3.17Å; L138-R181 HydrophobicContact CD2-CB 4.46Å; Q139-R181 VanDerWaalsContact NE2-CZ 3.32Å; Q139-R181 VanDerWaalsContact NE2-NH2 3.13Å; I177-R181 VanDerWaalsContact O-CD 3.26Å; I177-R181 WeakPolarHBondContact O-CD 3.32Å; I177-R181 VanDerWaalsContact O-CG 3.3Å; I177-R181 WeakPolarHBondContact O-CG 3.4Å; I177-R181 PolarHBondContact O-NE 2.93Å; F178-R181 WeakPolarHBondContact O-CB 3.43Å; F178-R181 PolarHBondContact O-N 3.04Å; F178-R181 VanDerWaalsContact O-N 3.11Å; L179-R181 PolarHBondContact O-N 3.22Å; R181-Q183 PolarHBondContact O-N 2.89Å; R181-Q184 PolarHBondContact O-N 3.43Å; R181-Q185 WeakPolarHBondContact O-CB 3.46Å; R181-Q185 WeakPolarHBondContact O-CG 3.31Å; R181-Q185 PolarHBondContact O-N 2.98Å |
| 182 | I | 95.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.6 | -30.5 | 177.4 | 66.8 | -179.8 | 0 | 0 | 0 | 110.8 | L138 L150 L153 M175 F178 L179 I186 I204 I207 W229 | L138-I182 HydrophobicContact CD2-CG2 4.15Å; L150-I182 HydrophobicContact CD2-CG2 3.88Å; L153-I182 HydrophobicContact CD2-CG2 3.88Å; M175-I182 HydrophobicContact CE-CD1 4.27Å; F178-I182 WeakPolarHBondContact O-CG1 3.36Å; F178-I182 PolarHBondContact O-N 3.22Å; L179-I182 HydrophobicContact CD1-CD1 4.22Å; L179-I182 HydrophobicContact CD1-CG1 4.49Å; L179-I182 WeakPolarHBondContact O-CG1 3.48Å; I182-I186 WeakPolarHBondContact O-CB 3.29Å; I182-I186 WeakPolarHBondContact O-CG2 3.44Å; I182-I186 PolarHBondContact O-N 3.49Å; I182-I204 HydrophobicContact CB-CG1 4.41Å; I182-I204 HydrophobicContact CB-CG2 4Å; I182-I204 HydrophobicContact CD1-CG2 4.34Å; I182-I204 HydrophobicContact CG1-CG2 4.26Å; I182-I207 HydrophobicContact CD1-CG2 3.87Å; I182-W229 HydrophobicContact CG1-CH2 4.27Å; I182-W229 HydrophobicContact CG1-CZ2 4.17Å |
| 183 | Q | 95.3 | Very high | 93.9 | Very high | 29 Ų | 29 | 50.9 Ų | 50.9 | 14% | 0.136 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.8 | -46.7 | 171.4 | -170.6 | -178.1 | 60.4 | 0 | 0 | 111.8 | L179 R181 Q185 I186 V187 T225 T228 W229 I232 | L179-Q183 VanDerWaalsContact O-CB 3.31Å; L179-Q183 WeakPolarHBondContact O-CB 3.47Å; L179-Q183 PolarHBondContact O-N 3.11Å; R181-Q183 PolarHBondContact O-N 2.89Å; Q183-Q185 PolarHBondContact O-N 3.03Å; Q183-I186 VanDerWaalsContact O-CG2 3.28Å; Q183-I186 WeakPolarHBondContact O-CG2 3.32Å; Q183-V187 VanDerWaalsContact O-CG2 3.27Å; Q183-V187 WeakPolarHBondContact O-CG2 3.49Å; Q183-V187 PolarHBondContact O-N 3.31Å; Q183-T225 PolarHBondContact NE2-O 2.86Å; Q183-T225 VanDerWaalsContact NE2-O 3.11Å; Q183-T228 HydrophobicContact CG-CG2 4Å; Q183-W229 HydrophobicContact CB-CH2 4.4Å; Q183-W229 HydrophobicContact CB-CZ2 3.71Å; Q183-W229 HydrophobicContact CG-CZ2 4.12Å; Q183-W229 VanDerWaalsContact NE2-NE1 3.17Å; Q183-I232 HydrophobicContact CG-CD1 3.97Å |
| 184 | Q | 93.4 | Very high | 93.8 | Very high | 125 Ų | 125 | 48.8 Ų | 48.8 | 58% | 0.584 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -63.3 | -41.9 | 175.6 | -173.9 | -176.9 | 4.4 | 0 | 0 | 111.9 | P180 R181 V187 Q188 | P180-Q184 PolarHBondContact O-N 3.14Å; R181-Q184 PolarHBondContact O-N 3.43Å; Q184-V187 PolarHBondContact O-N 2.68Å; Q184-Q188 WeakPolarHBondContact O-CG 3.33Å; Q184-Q188 PolarHBondContact O-N 3.49Å; Q184-Q188 VanDerWaalsContact O-N 3.1Å |
| 185 | Q | 93.1 | Very high | 93.7 | Very high | 20 Ų | 20 | 55.1 Ų | 55.1 | 9% | 0.093 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.8 | -47.1 | 178.9 | -76.2 | 179.9 | -21.9 | 0 | 0 | 112 | L138 R181 Q183 V187 Q188 L189 I204 | L138-Q185 PolarHBondContact O-NE2 3.37Å; R181-Q185 WeakPolarHBondContact O-CB 3.46Å; R181-Q185 WeakPolarHBondContact O-CG 3.31Å; R181-Q185 PolarHBondContact O-N 2.98Å; Q183-Q185 PolarHBondContact O-N 3.03Å; Q185-V187 VanDerWaalsContact C-N 3.28Å; Q185-V187 PolarHBondContact O-N 2.81Å; Q185-Q188 WeakPolarHBondContact O-CB 3.42Å; Q185-Q188 PolarHBondContact O-N 3.05Å; Q185-Q188 VanDerWaalsContact O-N 3.14Å; Q185-L189 VanDerWaalsContact O-CG 3.28Å; Q185-L189 WeakPolarHBondContact O-CG 3.45Å; Q185-L189 PolarHBondContact O-N 3.16Å; Q185-I204 HydrophobicContact CB-CD1 4.29Å |
| 186 | I | 95.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.3 | -39.9 | 179.7 | -162.2 | 168.8 | 0 | 0 | 0 | 110.7 | I182 Q183 Q188 L189 L190 Q201 I204 L205 W229 I232 I236 | I182-I186 WeakPolarHBondContact O-CB 3.29Å; I182-I186 WeakPolarHBondContact O-CG2 3.44Å; I182-I186 PolarHBondContact O-N 3.49Å; Q183-I186 VanDerWaalsContact O-CG2 3.28Å; Q183-I186 WeakPolarHBondContact O-CG2 3.32Å; I186-Q188 VanDerWaalsContact C-N 3.32Å; I186-Q188 PolarHBondContact O-N 3.42Å; I186-L189 PolarHBondContact O-N 3.23Å; I186-L190 WeakPolarHBondContact O-CG 3.45Å; I186-L190 PolarHBondContact O-N 3.14Å; I186-Q201 HydrophobicContact CD1-CB 4.32Å; I186-Q201 HydrophobicContact CG1-CB 4.28Å; I186-Q201 HydrophobicContact CG1-CG 4.01Å; I186-I204 HydrophobicContact CB-CD1 3.85Å; I186-I204 HydrophobicContact CB-CG2 4.13Å; I186-I204 HydrophobicContact CD1-CB 4.13Å; I186-I204 HydrophobicContact CD1-CG2 3.9Å; I186-I204 HydrophobicContact CG1-CD1 4.4Å; I186-L205 HydrophobicContact CD1-CD2 4.04Å; I186-L205 HydrophobicContact CD1-CG 4.22Å; I186-W229 HydrophobicContact CD1-CZ3 4.41Å; I186-W229 HydrophobicContact CG2-CH2 4.22Å; I186-W229 HydrophobicContact CG2-CZ3 4.06Å; I186-I232 HydrophobicContact CD1-CG2 3.84Å; I186-I232 HydrophobicContact CG1-CG2 4.2Å; I186-I232 HydrophobicContact CG2-CD1 3.61Å; I186-I232 HydrophobicContact CG2-CG1 4.24Å; I186-I232 HydrophobicContact CG2-CG2 4.07Å; I186-I236 HydrophobicContact CD1-CD1 4.05Å |
| 187 | V | 95.4 | Very high | 93.4 | Very high | 67 Ų | 67 | 53.8 Ų | 53.8 | 41% | 0.406 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.6 | -40.9 | 175.1 | 171.4 | 0 | 0 | 0 | 0 | 111.9 | Q183 Q184 Q185 L189 I232 | Q183-V187 VanDerWaalsContact O-CG2 3.27Å; Q183-V187 WeakPolarHBondContact O-CG2 3.49Å; Q183-V187 PolarHBondContact O-N 3.31Å; Q184-V187 PolarHBondContact O-N 2.68Å; Q185-V187 VanDerWaalsContact C-N 3.28Å; Q185-V187 PolarHBondContact O-N 2.81Å; V187-L189 VanDerWaalsContact C-N 3.31Å; V187-L189 PolarHBondContact O-N 3.39Å; V187-I232 HydrophobicContact CG2-CD1 3.81Å; V187-I232 HydrophobicContact CG2-CG1 3.93Å |
| 188 | Q | 93.2 | Very high | 93.5 | Very high | 115 Ų | 115 | 50.6 Ų | 50.6 | 54% | 0.537 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67.2 | -31.8 | 175.4 | -70.7 | 174.3 | 8.5 | 0 | 0 | 112.9 | Q184 Q185 I186 P191 | Q184-Q188 WeakPolarHBondContact O-CG 3.33Å; Q184-Q188 PolarHBondContact O-N 3.49Å; Q184-Q188 VanDerWaalsContact O-N 3.1Å; Q185-Q188 WeakPolarHBondContact O-CB 3.42Å; Q185-Q188 PolarHBondContact O-N 3.05Å; Q185-Q188 VanDerWaalsContact O-N 3.14Å; I186-Q188 VanDerWaalsContact C-N 3.32Å; I186-Q188 PolarHBondContact O-N 3.42Å; Q188-P191 WeakPolarHBondContact O-CD 3.44Å |
| 189 | L | 93.5 | Very high | 93.4 | Very high | 17 Ų | 17 | 51.7 Ų | 51.7 | 9% | 0.089 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -80.6 | -26.5 | -179.8 | -69.1 | 169.7 | 0 | 0 | 0 | 113.1 | W146 Q185 I186 V187 P191 D192 S197 L200 Q201 I204 | W146-L189 HydrophobicContact CZ3-CD2 4.12Å; Q185-L189 VanDerWaalsContact O-CG 3.28Å; Q185-L189 WeakPolarHBondContact O-CG 3.45Å; Q185-L189 PolarHBondContact O-N 3.16Å; I186-L189 PolarHBondContact O-N 3.23Å; V187-L189 VanDerWaalsContact C-N 3.31Å; V187-L189 PolarHBondContact O-N 3.39Å; L189-P191 VanDerWaalsContact C-CD 3.42Å; L189-P191 VanDerWaalsContact C-N 3.34Å; L189-D192 PolarHBondContact O-N 2.9Å; L189-S197 PolarHBondContact O-OG 3.19Å; L189-L200 HydrophobicContact CD1-CB 3.7Å; L189-L200 HydrophobicContact CD1-CD1 4.14Å; L189-L200 HydrophobicContact CD2-CD1 4.18Å; L189-Q201 HydrophobicContact CB-CG 3.84Å; L189-Q201 HydrophobicContact CD1-CG 4.43Å; L189-Q201 PolarHBondContact O-NE2 3.1Å; L189-I204 HydrophobicContact CD1-CD1 4.3Å |
| 190 | L | 93.9 | Very high | 93.5 | Very high | 27 Ų | 27 | 51.6 Ų | 51.6 | 14% | 0.141 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | -43.6 | -175.7 | -78.1 | 177.8 | 0 | 0 | 0 | 114.6 | I186 D192 I232 T235 I236 R239 | I186-L190 WeakPolarHBondContact O-CG 3.45Å; I186-L190 PolarHBondContact O-N 3.14Å; L190-D192 VanDerWaalsContact C-N 3.3Å; L190-D192 PolarHBondContact O-N 3.45Å; L190-I232 HydrophobicContact CD1-CG1 4.21Å; L190-I232 HydrophobicContact CD2-CG2 4.47Å; L190-T235 HydrophobicContact CD1-CG2 4.32Å; L190-T235 HydrophobicContact CD2-CG2 4.42Å; L190-I236 HydrophobicContact CD2-CD1 3.99Å; L190-I236 HydrophobicContact CD2-CG1 3.52Å; L190-R239 PolarHBondContact O-NH1 3.12Å |
| 191 | P | 92.9 | Very high | 93.6 | Very high | 114 Ų | 114 | 48.1 Ų | 48.1 | 74% | 0.74 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -21.3 | 179.9 | -18.8 | 33.7 | 0 | 0 | 0 | 114.3 | Q188 L189 | Q188-P191 WeakPolarHBondContact O-CD 3.44Å; L189-P191 VanDerWaalsContact C-CD 3.42Å; L189-P191 VanDerWaalsContact C-N 3.34Å |
| 192 | D | 91.3 | Very high | 93.8 | Very high | 73 Ų | 73 | 47 Ų | 47 | 39% | 0.39 | 24% | 0.244 | S | C | . | . | trans | -89.5 | 116.7 | 179.9 | -179.6 | 14.4 | 0 | 0 | 0 | 110.8 | L189 L190 S194 S197 | L189-D192 PolarHBondContact O-N 2.9Å; L190-D192 VanDerWaalsContact C-N 3.3Å; L190-D192 PolarHBondContact O-N 3.45Å; D192-S194 VanDerWaalsContact CG-OG 3.27Å; D192-S194 WeakPolarHBondContact OD1-CB 3.39Å; D192-S194 PolarHBondContact OD1-N 3.38Å; D192-S194 PolarHBondContact OD1-OG 3.29Å; D192-S194 PolarHBondContact OD2-OG 3.49Å; D192-S197 WeakPolarHBondContact O-CB 3.32Å; D192-S197 PolarHBondContact O-OG 2.98Å; D192-S197 VanDerWaalsContact OD2-CB 3.24Å; D192-S197 WeakPolarHBondContact OD2-CB 3.04Å | ||
| 193 | S | 87.9 | Confident | 93.9 | Very high | 75 Ų | 75 | 47.4 Ų | 47.4 | 52% | 0.524 | 25% | 0.245 | S | C | . | . | trans | -88.6 | 2.8 | 179.2 | 58.9 | 0 | 0 | 0 | 0 | 114.2 | W258 | S193-W258 PolarHBondContact O-NE1 3.22Š| ||
| 194 | S | 91.9 | Very high | 94 | Very high | 46 Ų | 46 | 46 Ų | 46 | 32% | 0.322 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -58.6 | 148.7 | 178.1 | 75.1 | 0 | 0 | 0 | 0 | 112.3 | D192 Y196 S197 V198 | D192-S194 VanDerWaalsContact CG-OG 3.27Å; D192-S194 WeakPolarHBondContact OD1-CB 3.39Å; D192-S194 PolarHBondContact OD1-N 3.38Å; D192-S194 PolarHBondContact OD1-OG 3.29Å; D192-S194 PolarHBondContact OD2-OG 3.49Å; S194-Y196 PolarHBondContact O-N 3.29Å; S194-S197 PolarHBondContact O-N 3.43Å; S194-S197 VanDerWaalsContact O-N 3.16Å; S194-S197 WeakPolarHBondContact OG-CB 3.47Å; S194-S197 PolarHBondContact OG-N 2.71Å; S194-V198 WeakPolarHBondContact O-CG2 3.25Å; S194-V198 PolarHBondContact O-N 3.4Å |
| 195 | Y | 92.1 | Very high | 94.2 | Very high | 137 Ų | 137 | 40.1 Ų | 40.1 | 54% | 0.537 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -51.3 | -44.9 | 177.9 | 176.4 | -87.8 | 0 | 0 | 0 | 112.1 | V198 L199 V257 W258 | Y195-V198 PolarHBondContact O-N 3.08Å; Y195-L199 HydrophobicContact CE1-CD2 4.15Å; Y195-L199 WeakPolarHBondContact O-CB 3.32Å; Y195-L199 PolarHBondContact O-N 3Å; Y195-V257 HydrophobicContact CD2-CB 4.27Å; Y195-V257 HydrophobicContact CD2-CG1 3.59Å; Y195-V257 HydrophobicContact CE2-CB 3.99Å; Y195-V257 HydrophobicContact CE2-CG1 3.84Å; Y195-V257 HydrophobicContact CG-CG1 4.31Å; Y195-W258 HydrophobicContact CD2-CH2 4.2Å; Y195-W258 HydrophobicContact CD2-CZ3 4.43Å |
| 196 | Y | 92.1 | Very high | 94.4 | Very high | 78 Ų | 78 | 41.4 Ų | 41.4 | 31% | 0.306 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.9 | -42.2 | -178.3 | -170.6 | -104.5 | 0 | 0 | 0 | 112.3 | S143 L147 S194 L199 L200 | S143-Y196 WeakPolarHBondContact O-CE1 3.35Å; S143-Y196 PolarHBondContact O-OH 2.91Å; L147-Y196 HydrophobicContact CB-CE2 4.5Å; L147-Y196 HydrophobicContact CD2-CE2 4.48Å; S194-Y196 PolarHBondContact O-N 3.29Å; Y196-L199 WeakPolarHBondContact O-CB 3.44Å; Y196-L199 PolarHBondContact O-N 2.94Å; Y196-L200 HydrophobicContact CD1-CD1 3.95Å; Y196-L200 HydrophobicContact CE1-CD1 3.6Å; Y196-L200 HydrophobicContact CE1-CG 4.23Å; Y196-L200 WeakPolarHBondContact O-CG 3.34Å; Y196-L200 PolarHBondContact O-N 3.48Å; Y196-L200 VanDerWaalsContact O-N 3.11Å |
| 197 | S | 93.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.007 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.8 | -47.5 | 174.9 | 173.2 | 0 | 0 | 0 | 0 | 111.6 | L189 D192 S194 L199 L200 Q201 | L189-S197 PolarHBondContact O-OG 3.19Å; D192-S197 WeakPolarHBondContact O-CB 3.32Å; D192-S197 PolarHBondContact O-OG 2.98Å; D192-S197 VanDerWaalsContact OD2-CB 3.24Å; D192-S197 WeakPolarHBondContact OD2-CB 3.04Å; S194-S197 PolarHBondContact O-N 3.43Å; S194-S197 VanDerWaalsContact O-N 3.16Å; S194-S197 WeakPolarHBondContact OG-CB 3.47Å; S194-S197 PolarHBondContact OG-N 2.71Å; S197-L199 VanDerWaalsContact C-N 3.29Å; S197-L199 PolarHBondContact O-N 3.15Å; S197-L200 WeakPolarHBondContact O-CB 3.46Å; S197-L200 PolarHBondContact O-N 3.17Å; S197-Q201 WeakPolarHBondContact O-CG 3.29Å; S197-Q201 PolarHBondContact O-N 2.88Å; S197-Q201 PolarHBondContact OG-NE2 3.43Å |
| 198 | V | 95.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.5 | -31.8 | -179.2 | -177.6 | 0 | 0 | 0 | 0 | 111.5 | S194 Y195 Q201 K202 V257 W258 C261 | S194-V198 WeakPolarHBondContact O-CG2 3.25Å; S194-V198 PolarHBondContact O-N 3.4Å; Y195-V198 PolarHBondContact O-N 3.08Å; V198-Q201 PolarHBondContact O-N 3.37Å; V198-K202 WeakPolarHBondContact O-CB 3.42Å; V198-K202 PolarHBondContact O-N 3.44Å; V198-V257 HydrophobicContact CB-CG1 4Å; V198-V257 HydrophobicContact CB-CG2 4.46Å; V198-V257 HydrophobicContact CG1-CB 4.45Å; V198-V257 HydrophobicContact CG1-CG1 3.89Å; V198-V257 HydrophobicContact CG1-CG2 4.13Å; V198-W258 HydrophobicContact CG1-CG 4.32Å; V198-C261 HydrophobicContact CG1-CB 3.72Å |
| 199 | L | 94.4 | Very high | 94.8 | Very high | 23 Ų | 23 | 33.5 Ų | 33.5 | 12% | 0.12 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.2 | -43.1 | 172.4 | -179.1 | 61.9 | 0 | 0 | 0 | 112.2 | L147 Y195 Y196 S197 K202 Q203 V257 | L147-L199 HydrophobicContact CD1-CD2 4.32Å; L147-L199 HydrophobicContact CD1-CG 4.21Å; L147-L199 HydrophobicContact CD2-CD2 3.82Å; Y195-L199 HydrophobicContact CE1-CD2 4.15Å; Y195-L199 WeakPolarHBondContact O-CB 3.32Å; Y195-L199 PolarHBondContact O-N 3Å; Y196-L199 WeakPolarHBondContact O-CB 3.44Å; Y196-L199 PolarHBondContact O-N 2.94Å; S197-L199 VanDerWaalsContact C-N 3.29Å; S197-L199 PolarHBondContact O-N 3.15Å; L199-K202 WeakPolarHBondContact O-CB 3.37Å; L199-K202 PolarHBondContact O-N 2.97Å; L199-Q203 PolarHBondContact O-N 3.46Å; L199-V257 VanDerWaalsContact CA-CG2 3.44Å; L199-V257 HydrophobicContact CB-CG2 3.9Å; L199-V257 HydrophobicContact CD1-CG2 4.05Å |
| 200 | L | 95.7 | Very high | 94.9 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.7 | -44.4 | 175.3 | -66.6 | 171.7 | 0 | 0 | 0 | 111.5 | W146 L147 L150 L189 Y196 S197 K202 Q203 I204 | W146-L200 HydrophobicContact CB-CD1 4.37Å; W146-L200 HydrophobicContact CB-CD2 3.93Å; W146-L200 HydrophobicContact CE3-CD1 3.83Å; L147-L200 HydrophobicContact CB-CD2 3.78Å; L147-L200 HydrophobicContact CD1-CD2 4.24Å; L150-L200 HydrophobicContact CD1-CB 4.45Å; L150-L200 HydrophobicContact CD1-CD2 3.84Å; L189-L200 HydrophobicContact CD1-CB 3.7Å; L189-L200 HydrophobicContact CD1-CD1 4.14Å; L189-L200 HydrophobicContact CD2-CD1 4.18Å; Y196-L200 HydrophobicContact CD1-CD1 3.95Å; Y196-L200 HydrophobicContact CE1-CD1 3.6Å; Y196-L200 HydrophobicContact CE1-CG 4.23Å; Y196-L200 WeakPolarHBondContact O-CG 3.34Å; Y196-L200 PolarHBondContact O-N 3.48Å; Y196-L200 VanDerWaalsContact O-N 3.11Å; S197-L200 WeakPolarHBondContact O-CB 3.46Å; S197-L200 PolarHBondContact O-N 3.17Å; L200-K202 VanDerWaalsContact C-N 3.33Å; L200-K202 PolarHBondContact O-N 3.21Å; L200-Q203 PolarHBondContact O-N 3.27Å; L200-Q203 VanDerWaalsContact O-N 3.1Å; L200-I204 WeakPolarHBondContact O-CG1 3.45Å; L200-I204 PolarHBondContact O-N 2.85Å |
| 201 | Q | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -55.4 | -49 | 174.2 | -66.5 | 170.3 | 45.8 | 0 | 0 | 110.6 | I186 L189 S197 V198 Q203 I204 L205 | I186-Q201 HydrophobicContact CD1-CB 4.32Å; I186-Q201 HydrophobicContact CG1-CB 4.28Å; I186-Q201 HydrophobicContact CG1-CG 4.01Å; L189-Q201 HydrophobicContact CB-CG 3.84Å; L189-Q201 HydrophobicContact CD1-CG 4.43Å; L189-Q201 PolarHBondContact O-NE2 3.1Å; S197-Q201 WeakPolarHBondContact O-CG 3.29Å; S197-Q201 PolarHBondContact O-N 2.88Å; S197-Q201 PolarHBondContact OG-NE2 3.43Å; V198-Q201 PolarHBondContact O-N 3.37Å; Q201-Q203 VanDerWaalsContact C-N 3.29Å; Q201-Q203 PolarHBondContact O-N 3.01Å; Q201-I204 PolarHBondContact O-N 3.44Å; Q201-L205 WeakPolarHBondContact O-CG 3.3Å; Q201-L205 PolarHBondContact O-N 2.85Å |
| 202 | K | 96.4 | Very high | 94.9 | Very high | 39 Ų | 39 | 26.1 Ų | 26.1 | 17% | 0.17 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -54.7 | -45.2 | 175.2 | -173.3 | -155.5 | 78.1 | -177.7 | 0 | 111.6 | V198 L199 L200 L205 K206 V257 K260 C261 | V198-K202 WeakPolarHBondContact O-CB 3.42Å; V198-K202 PolarHBondContact O-N 3.44Å; L199-K202 WeakPolarHBondContact O-CB 3.37Å; L199-K202 PolarHBondContact O-N 2.97Å; L200-K202 VanDerWaalsContact C-N 3.33Å; L200-K202 PolarHBondContact O-N 3.21Å; K202-L205 PolarHBondContact O-N 3.4Å; K202-K206 WeakPolarHBondContact O-CG 3.46Å; K202-K206 PolarHBondContact O-N 3.19Å; K202-V257 HydrophobicContact CD-CG2 4.48Å; K202-K260 HydrophobicContact CD-CB 3.84Å; K202-K260 HydrophobicContact CD-CD 4.41Å; K202-K260 HydrophobicContact CG-CB 4.3Å; K202-C261 HydrophobicContact CB-CB 4.31Å |
| 203 | Q | 96.8 | Very high | 94.9 | Very high | 8 Ų | 8 | 23.8 Ų | 23.8 | 4% | 0.037 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -66.8 | -38.3 | -179 | -171.8 | 56.9 | 37.2 | 0 | 0 | 112.1 | L150 L151 L199 L200 Q201 K206 I207 | L150-Q203 HydrophobicContact CB-CG 3.72Å; L151-Q203 HydrophobicContact CD2-CG 4.43Å; L199-Q203 PolarHBondContact O-N 3.46Å; L200-Q203 PolarHBondContact O-N 3.27Å; L200-Q203 VanDerWaalsContact O-N 3.1Å; Q201-Q203 VanDerWaalsContact C-N 3.29Å; Q201-Q203 PolarHBondContact O-N 3.01Å; Q203-K206 PolarHBondContact O-N 2.93Å; Q203-I207 WeakPolarHBondContact O-CG1 3.14Å; Q203-I207 PolarHBondContact O-N 2.92Å; Q203-I207 VanDerWaalsContact O-N 3.15Å |
| 204 | I | 98.2 | Very high | 95 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.4 | -43.6 | 174.1 | -67 | 168.5 | 0 | 0 | 0 | 110.9 | L150 I182 Q185 I186 L189 L200 Q201 K206 I207 F208 W229 | L150-I204 HydrophobicContact CD1-CD1 4.24Å; L150-I204 HydrophobicContact CD1-CG1 3.8Å; L150-I204 HydrophobicContact CD2-CG1 3.8Å; L150-I204 HydrophobicContact CG-CG1 4.46Å; I182-I204 HydrophobicContact CB-CG1 4.41Å; I182-I204 HydrophobicContact CB-CG2 4Å; I182-I204 HydrophobicContact CD1-CG2 4.34Å; I182-I204 HydrophobicContact CG1-CG2 4.26Å; Q185-I204 HydrophobicContact CB-CD1 4.29Å; I186-I204 HydrophobicContact CB-CD1 3.85Å; I186-I204 HydrophobicContact CB-CG2 4.13Å; I186-I204 HydrophobicContact CD1-CB 4.13Å; I186-I204 HydrophobicContact CD1-CG2 3.9Å; I186-I204 HydrophobicContact CG1-CD1 4.4Å; L189-I204 HydrophobicContact CD1-CD1 4.3Å; L200-I204 WeakPolarHBondContact O-CG1 3.45Å; L200-I204 PolarHBondContact O-N 2.85Å; Q201-I204 PolarHBondContact O-N 3.44Å; I204-K206 VanDerWaalsContact C-N 3.31Å; I204-K206 PolarHBondContact O-N 2.98Å; I204-I207 WeakPolarHBondContact O-CB 3.34Å; I204-I207 PolarHBondContact O-N 3.05Å; I204-I207 VanDerWaalsContact O-N 3.16Å; I204-F208 PolarHBondContact O-N 3.06Å; I204-W229 HydrophobicContact CG2-CH2 3.77Å; I204-W229 HydrophobicContact CG2-CZ3 4.25Å |
| 205 | L | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.2 | -40.9 | 176.1 | -64.9 | 174.6 | 0 | 0 | 0 | 111.8 | I186 Q201 K202 I207 F208 Y209 F233 I236 C261 W264 A265 I268 | I186-L205 HydrophobicContact CD1-CD2 4.04Å; I186-L205 HydrophobicContact CD1-CG 4.22Å; Q201-L205 WeakPolarHBondContact O-CG 3.3Å; Q201-L205 PolarHBondContact O-N 2.85Å; K202-L205 PolarHBondContact O-N 3.4Å; L205-I207 VanDerWaalsContact C-N 3.32Å; L205-I207 PolarHBondContact O-N 3.33Å; L205-F208 PolarHBondContact O-N 2.96Å; L205-Y209 WeakPolarHBondContact O-CB 3.38Å; L205-Y209 PolarHBondContact O-N 3.25Å; L205-F233 HydrophobicContact CD2-CD1 3.74Å; L205-F233 HydrophobicContact CD2-CE1 3.52Å; L205-I236 HydrophobicContact CD1-CD1 3.94Å; L205-I236 HydrophobicContact CD2-CD1 4.13Å; L205-I236 HydrophobicContact CG-CD1 4.37Å; L205-C261 WeakPolarHBondContact CD1-O 3.26Å; L205-W264 HydrophobicContact CB-CB 3.88Å; L205-W264 HydrophobicContact CD1-CB 4.06Å; L205-A265 HydrophobicContact CD1-CB 4.01Å; L205-I268 HydrophobicContact CB-CD1 4.01Å; L205-I268 HydrophobicContact CD2-CD1 3.98Å; L205-I268 WeakPolarHBondContact O-CD1 3.41Å |
| 206 | K | 97.4 | Very high | 94.8 | Very high | 47 Ų | 47 | 16.4 Ų | 16.4 | 20% | 0.204 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60.8 | -39.5 | 174.9 | -74.3 | -170.4 | 70 | 179.8 | 0 | 113.1 | Y154 K202 Q203 I204 A210 W264 | Y154-K206 HydrophobicContact CD2-CB 4.18Å; Y154-K206 HydrophobicContact CE2-CB 3.85Å; Y154-K206 WeakPolarHBondContact CE2-O 3.44Å; Y154-K206 WeakPolarHBondContact OH-CE 3.41Å; Y154-K206 PolarHBondContact OH-NZ 3.11Å; K202-K206 WeakPolarHBondContact O-CG 3.46Å; K202-K206 PolarHBondContact O-N 3.19Å; Q203-K206 PolarHBondContact O-N 2.93Å; I204-K206 VanDerWaalsContact C-N 3.31Å; I204-K206 PolarHBondContact O-N 2.98Å; K206-A210 WeakPolarHBondContact O-CB 2.97Å; K206-A210 PolarHBondContact O-N 2.92Å; K206-A210 VanDerWaalsContact O-N 3.08Å; K206-W264 HydrophobicContact CD-CZ2 3.98Å; K206-W264 HydrophobicContact CG-CD2 3.78Å; K206-W264 VanDerWaalsContact CG-CE2 3.47Å; K206-W264 HydrophobicContact CG-CE3 4.34Å; K206-W264 HydrophobicContact CG-CG 4.17Å; K206-W264 HydrophobicContact CG-CH2 4.35Å; K206-W264 HydrophobicContact CG-CZ2 3.79Å |
| 207 | I | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -63.6 | -47.2 | 175.9 | -66.3 | 164.4 | 0 | 0 | 0 | 109.9 | L150 L153 Y154 V157 M175 I182 Q203 I204 L205 L211 | L150-I207 HydrophobicContact CB-CD1 4.05Å; L150-I207 HydrophobicContact CD2-CD1 3.78Å; L150-I207 WeakPolarHBondContact O-CD1 3.41Å; L153-I207 HydrophobicContact CB-CD1 4.24Å; L153-I207 HydrophobicContact CD2-CD1 4.07Å; L153-I207 HydrophobicContact CD2-CG2 4.13Å; L153-I207 HydrophobicContact CG-CD1 4.13Å; L153-I207 HydrophobicContact CG-CG2 4.07Å; Y154-I207 HydrophobicContact CD2-CG1 4.01Å; Y154-I207 HydrophobicContact CG-CG1 4.35Å; V157-I207 HydrophobicContact CG2-CG2 4Å; M175-I207 HydrophobicContact CE-CG2 4.32Å; I182-I207 HydrophobicContact CD1-CG2 3.87Å; Q203-I207 WeakPolarHBondContact O-CG1 3.14Å; Q203-I207 PolarHBondContact O-N 2.92Å; Q203-I207 VanDerWaalsContact O-N 3.15Å; I204-I207 WeakPolarHBondContact O-CB 3.34Å; I204-I207 PolarHBondContact O-N 3.05Å; I204-I207 VanDerWaalsContact O-N 3.16Å; L205-I207 VanDerWaalsContact C-N 3.32Å; L205-I207 PolarHBondContact O-N 3.33Å; I207-L211 PolarHBondContact O-N 3.27Å; I207-L211 VanDerWaalsContact O-N 3.16Å |
| 208 | F | 97.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.1 | -45.5 | 177.9 | -171.5 | -86.8 | 0 | 0 | 0 | 111.7 | L179 I204 L205 L211 V212 V221 W229 F233 I268 | L179-F208 HydrophobicContact CD1-CD2 3.96Å; L179-F208 HydrophobicContact CD1-CE2 4.21Å; I204-F208 PolarHBondContact O-N 3.06Å; L205-F208 PolarHBondContact O-N 2.96Å; F208-L211 WeakPolarHBondContact O-CB 3.33Å; F208-L211 PolarHBondContact O-N 3.35Å; F208-L211 VanDerWaalsContact O-N 3.15Å; F208-V212 HydrophobicContact CD1-CG1 4.36Å; F208-V212 HydrophobicContact CD1-CG2 4.02Å; F208-V212 HydrophobicContact CE1-CG1 3.93Å; F208-V212 HydrophobicContact CE1-CG2 3.82Å; F208-V212 HydrophobicContact CZ-CG1 4.04Å; F208-V212 WeakPolarHBondContact O-CG2 3.42Å; F208-V212 PolarHBondContact O-N 3.4Å; F208-V221 HydrophobicContact CZ-CG1 4.41Å; F208-W229 AromaticContact CD2-CD2 3.79Å; F208-W229 HydrophobicContact CD2-CD2 3.79Å; F208-W229 AromaticContact CD2-CE2 3.56Å; F208-W229 HydrophobicContact CD2-CE3 4.14Å; F208-W229 HydrophobicContact CD2-CG 4.33Å; F208-W229 HydrophobicContact CD2-CH2 4.09Å; F208-W229 AromaticContact CD2-CZ2 3.73Å; F208-W229 HydrophobicContact CD2-CZ2 3.73Å; F208-W229 HydrophobicContact CD2-CZ3 4.27Å; F208-W229 AromaticContact CD2-NE1 3.95Å; F208-W229 AromaticContact CE2-CD1 3.58Å; F208-W229 AromaticContact CE2-CD2 3.67Å; F208-W229 HydrophobicContact CE2-CD2 3.67Å; F208-W229 AromaticContact CE2-CE2 3.58Å; F208-W229 HydrophobicContact CE2-CE3 4.38Å; F208-W229 AromaticContact CE2-CG 3.71Å; F208-W229 HydrophobicContact CE2-CG 3.71Å; F208-W229 HydrophobicContact CE2-CZ2 4.22Å; F208-W229 AromaticContact CE2-NE1 3.52Å; F208-W229 HydrophobicContact CZ-CB 4.45Å; F208-W229 HydrophobicContact CZ-CD2 4.35Å; F208-W229 HydrophobicContact CZ-CG 4.09Å; F208-F233 AromaticContact CD1-CZ 3.77Å; F208-F233 HydrophobicContact CD1-CZ 3.77Å; F208-F233 HydrophobicContact CE1-CE2 4.15Å; F208-F233 AromaticContact CE1-CZ 3.68Å; F208-F233 HydrophobicContact CE1-CZ 3.68Å; F208-F233 HydrophobicContact CG-CZ 4.34Å; F208-F233 HydrophobicContact CZ-CZ 4.18Å; F208-I268 HydrophobicContact CD1-CD1 4.11Å; F208-I268 HydrophobicContact CD1-CG1 4.41Å; F208-I268 HydrophobicContact CD1-CG2 3.79Å; F208-I268 HydrophobicContact CE1-CG2 3.72Å |
| 209 | Y | 96.5 | Very high | 94.2 | Very high | 17 Ų | 17 | 22.1 Ų | 22.1 | 7% | 0.067 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58.7 | -50.5 | 178.4 | -178.9 | -95.6 | 0 | 0 | 0 | 112.2 | L205 L211 V212 Q213 W264 H267 I268 R271 | L205-Y209 WeakPolarHBondContact O-CB 3.38Å; L205-Y209 PolarHBondContact O-N 3.25Å; Y209-L211 PolarHBondContact O-N 2.92Å; Y209-L211 VanDerWaalsContact O-N 3.16Å; Y209-V212 PolarHBondContact O-N 2.89Å; Y209-Q213 HydrophobicContact CD1-CB 4.38Å; Y209-Q213 HydrophobicContact CE1-CB 4.05Å; Y209-Q213 VanDerWaalsContact CE1-CD 3.42Å; Y209-Q213 HydrophobicContact CE1-CG 3.96Å; Y209-Q213 WeakPolarHBondContact O-CB 3.45Å; Y209-Q213 PolarHBondContact O-N 3.28Å; Y209-Q213 VanDerWaalsContact OH-CD 3.32Å; Y209-Q213 PolarHBondContact OH-NE2 3.09Å; Y209-W264 HydrophobicContact CD1-CE3 4.29Å; Y209-W264 HydrophobicContact CD1-CH2 4.21Å; Y209-W264 AromaticContact CD1-CZ3 3.42Å; Y209-W264 HydrophobicContact CD1-CZ3 3.42Å; Y209-W264 VanDerWaalsContact CD1-CZ3 3.42Å; Y209-W264 HydrophobicContact CD2-CE3 4.47Å; Y209-W264 HydrophobicContact CD2-CZ3 4.23Å; Y209-W264 HydrophobicContact CE1-CH2 4.45Å; Y209-W264 AromaticContact CE1-CZ3 3.82Å; Y209-W264 HydrophobicContact CE1-CZ3 3.82Å; Y209-W264 HydrophobicContact CG-CE3 4.04Å; Y209-W264 AromaticContact CG-CZ3 3.62Å; Y209-W264 HydrophobicContact CG-CZ3 3.62Å; Y209-H267 AromaticContact CE2-CD2 3.87Å; Y209-H267 AromaticContact CE2-CE1 3.61Å; Y209-H267 AromaticContact CE2-CG 3.78Å; Y209-H267 AromaticContact CE2-ND1 3.61Å; Y209-H267 AromaticContact CE2-NE2 3.74Å; Y209-H267 AromaticContact CZ-CE1 3.27Å; Y209-H267 AromaticContact CZ-ND1 3.65Å; Y209-H267 AromaticContact CZ-NE2 3.63Å; Y209-H267 PolarHBondContact OH-CE1 3.19Å; Y209-H267 PolarHBondContact OH-NE2 3.47Å; Y209-I268 HydrophobicContact CD2-CG1 3.78Å; Y209-I268 HydrophobicContact CG-CG1 4.27Å; Y209-R271 HydrophobicContact CE2-CB 4.31Å; Y209-R271 HydrophobicContact CE2-CG 4.46Å |
| 210 | A | 95.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.008 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.9 | -25.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | Y154 V157 K206 | Y154-A210 HydrophobicContact CE2-CB 4.09Å; V157-A210 HydrophobicContact CG1-CB 3.75Å; K206-A210 WeakPolarHBondContact O-CB 2.97Å; K206-A210 PolarHBondContact O-N 2.92Å; K206-A210 VanDerWaalsContact O-N 3.08Å |
| 211 | L | 94.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -71.2 | -38 | 174.1 | 179 | 65.1 | 0 | 0 | 0 | 112 | V157 R168 L171 M175 L179 I207 F208 Y209 P217 | V157-L211 HydrophobicContact CG1-CB 4.06Å; R168-L211 PolarHBondContact NH2-O 3.34Å; L171-L211 HydrophobicContact CD2-CD1 4.06Å; M175-L211 HydrophobicContact CE-CD2 3.92Å; M175-L211 HydrophobicContact CG-CD1 4.06Å; M175-L211 HydrophobicContact CG-CD2 4.49Å; L179-L211 HydrophobicContact CD1-CD2 4.28Å; I207-L211 PolarHBondContact O-N 3.27Å; I207-L211 VanDerWaalsContact O-N 3.16Å; F208-L211 WeakPolarHBondContact O-CB 3.33Å; F208-L211 PolarHBondContact O-N 3.35Å; F208-L211 VanDerWaalsContact O-N 3.15Å; Y209-L211 PolarHBondContact O-N 2.92Å; Y209-L211 VanDerWaalsContact O-N 3.16Å; L211-P217 HydrophobicContact CD1-CG 4.34Å; L211-P217 HydrophobicContact CG-CG 4.31Å |
| 212 | V | 93.3 | Very high | 93.1 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.012 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -111.5 | -6.7 | -167 | -52.4 | 0 | 0 | 0 | 0 | 115.5 | F208 Y209 Y214 A215 L216 L272 Y276 | F208-V212 HydrophobicContact CD1-CG1 4.36Å; F208-V212 HydrophobicContact CD1-CG2 4.02Å; F208-V212 HydrophobicContact CE1-CG1 3.93Å; F208-V212 HydrophobicContact CE1-CG2 3.82Å; F208-V212 HydrophobicContact CZ-CG1 4.04Å; F208-V212 WeakPolarHBondContact O-CG2 3.42Å; F208-V212 PolarHBondContact O-N 3.4Å; Y209-V212 PolarHBondContact O-N 2.89Å; V212-Y214 VanDerWaalsContact C-N 3.33Å; V212-Y214 PolarHBondContact O-N 2.85Å; V212-A215 WeakPolarHBondContact CA-O 3.4Å; V212-L216 HydrophobicContact CB-CD1 4.22Å; V212-L216 HydrophobicContact CG1-CD1 3.91Å; V212-L272 HydrophobicContact CG2-CD2 4.34Å; V212-Y276 VanDerWaalsContact O-CE2 3.32Å; V212-Y276 WeakPolarHBondContact O-CE2 3.36Å; V212-Y276 PolarHBondContact O-OH 3.5Å; V212-Y276 VanDerWaalsContact O-OH 3.11Å |
| 213 | Q | 91.1 | Very high | 92.6 | Very high | 23 Ų | 23 | 26.5 Ų | 26.5 | 11% | 0.107 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -59.3 | -39.9 | -172.5 | 177.4 | -180 | -6.5 | 0 | 0 | 114 | E161 Y209 R271 R275 | E161-Q213 PolarHBondContact OE1-OE1 3.07Å; Y209-Q213 HydrophobicContact CD1-CB 4.38Å; Y209-Q213 HydrophobicContact CE1-CB 4.05Å; Y209-Q213 VanDerWaalsContact CE1-CD 3.42Å; Y209-Q213 HydrophobicContact CE1-CG 3.96Å; Y209-Q213 WeakPolarHBondContact O-CB 3.45Å; Y209-Q213 PolarHBondContact O-N 3.28Å; Y209-Q213 VanDerWaalsContact OH-CD 3.32Å; Y209-Q213 PolarHBondContact OH-NE2 3.09Å; Q213-R271 PolarHBondContact O-NE 3.35Å; Q213-R271 VanDerWaalsContact O-NE 3.09Å; Q213-R275 PolarHBondContact O-NH1 3.13Å |
| 214 | Y | 89.2 | Confident | 92.1 | Very high | 76 Ų | 76 | 33.7 Ų | 33.7 | 30% | 0.298 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -110.3 | -27.8 | -175.5 | -66.3 | -74.9 | 0 | 0 | 0 | 113.5 | E161 Y162 V212 R275 Y276 | E161-Y214 HydrophobicContact CG-CD2 4.03Å; E161-Y214 HydrophobicContact CG-CE2 3.95Å; E161-Y214 WeakPolarHBondContact O-CD2 3.13Å; Y162-Y214 HydrophobicContact CD1-CD2 4.49Å; Y162-Y214 AromaticContact CD1-CE2 3.82Å; Y162-Y214 HydrophobicContact CD1-CE2 3.82Å; Y162-Y214 AromaticContact CD1-CZ 3.99Å; Y162-Y214 AromaticContact CE1-CE2 3.6Å; Y162-Y214 HydrophobicContact CE1-CE2 3.6Å; Y162-Y214 AromaticContact CE1-CZ 3.64Å; Y162-Y214 VanDerWaalsContact CE1-OH 3.3Å; Y162-Y214 WeakPolarHBondContact CE1-OH 3.4Å; V212-Y214 VanDerWaalsContact C-N 3.33Å; V212-Y214 PolarHBondContact O-N 2.85Å; Y214-R275 PolarHBondContact O-NE 2.75Å; Y214-R275 PolarHBondContact O-NH2 3.47Å; Y214-Y276 PolarHBondContact O-OH 3.21Å |
| 215 | A | 88.7 | Confident | 91.8 | Very high | 23 Ų | 23 | 35.2 Ų | 35.2 | 19% | 0.19 | 18% | 0.175 | C | C | . | . | trans | -144.7 | 133.9 | 175 | 0 | 0 | 0 | 0 | 0 | 109.9 | V212 P217 Y276 | V212-A215 WeakPolarHBondContact CA-O 3.4Å; A215-P217 VanDerWaalsContact O-CD 3.23Å; A215-P217 WeakPolarHBondContact O-CD 3.37Å; A215-Y276 VanDerWaalsContact CA-OH 3.24Å; A215-Y276 WeakPolarHBondContact CA-OH 3.36Å; A215-Y276 PolarHBondContact N-OH 3.19Å; A215-Y276 VanDerWaalsContact N-OH 3.09Å | ||
| 216 | L | 91.4 | Very high | 91.5 | Very high | 4 Ų | 4 | 35.2 Ų | 35.2 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | trans | -95.1 | 106.8 | 173.9 | 179.3 | 64.6 | 0 | 0 | 0 | 109.3 | V212 L218 V221 M226 L272 Y276 Y286 F289 | V212-L216 HydrophobicContact CB-CD1 4.22Å; V212-L216 HydrophobicContact CG1-CD1 3.91Å; L216-L218 HydrophobicContact CD2-CD2 3.91Å; L216-L218 HydrophobicContact CG-CD2 4.17Å; L216-L218 PolarHBondContact O-N 3.2Å; L216-V221 HydrophobicContact CD1-CB 4.04Å; L216-V221 HydrophobicContact CD1-CG1 4.33Å; L216-V221 HydrophobicContact CD1-CG2 4.29Å; L216-M226 HydrophobicContact CD1-CE 3.9Å; L216-M226 HydrophobicContact CD2-CE 4.35Å; L216-L272 HydrophobicContact CD1-CD2 4.37Å; L216-Y276 HydrophobicContact CB-CD1 3.92Å; L216-Y276 HydrophobicContact CB-CD2 3.96Å; L216-Y276 HydrophobicContact CB-CE1 3.79Å; L216-Y276 HydrophobicContact CB-CE2 3.84Å; L216-Y276 HydrophobicContact CB-CG 4.01Å; L216-Y276 HydrophobicContact CD2-CD1 4.45Å; L216-Y276 HydrophobicContact CD2-CD2 4.16Å; L216-Y276 HydrophobicContact CD2-CG 3.96Å; L216-Y276 PolarHBondContact N-OH 2.98Å; L216-Y286 HydrophobicContact CB-CE1 3.73Å; L216-Y286 HydrophobicContact CD2-CD1 4.48Å; L216-Y286 HydrophobicContact CD2-CE1 4.41Å; L216-Y286 HydrophobicContact CG-CE1 4.36Å; L216-Y286 PolarHBondContact N-OH 3.32Å; L216-Y286 WeakPolarHBondContact O-CE1 3.27Å; L216-Y286 PolarHBondContact O-OH 3.17Å; L216-Y286 VanDerWaalsContact O-OH 3.09Å; L216-F289 HydrophobicContact CD2-CD1 3.87Å; L216-F289 HydrophobicContact CD2-CD2 4.41Å; L216-F289 HydrophobicContact CD2-CE1 3.63Å; L216-F289 HydrophobicContact CD2-CE2 4.19Å; L216-F289 HydrophobicContact CD2-CG 4.27Å; L216-F289 HydrophobicContact CD2-CZ 3.81Å | ||
| 217 | P | 91.6 | Very high | 91.4 | Very high | 17 Ų | 17 | 34.9 Ų | 34.9 | 11% | 0.11 | 18% | 0.177 | C | C | . | . | trans | -76.6 | 90.5 | 179.7 | 29.8 | -33.7 | 0 | 0 | 0 | 110.4 | I172 L211 A215 Q219 L220 V221 | I172-P217 HydrophobicContact CD1-CB 3.6Å; I172-P217 HydrophobicContact CD1-CG 3.97Å; L211-P217 HydrophobicContact CD1-CG 4.34Å; L211-P217 HydrophobicContact CG-CG 4.31Å; A215-P217 VanDerWaalsContact O-CD 3.23Å; A215-P217 WeakPolarHBondContact O-CD 3.37Å; P217-Q219 PolarHBondContact O-N 3.25Å; P217-Q219 VanDerWaalsContact O-N 3.09Å; P217-L220 HydrophobicContact CB-CB 4.39Å; P217-L220 HydrophobicContact CB-CD1 4.2Å; P217-L220 HydrophobicContact CB-CG 4.38Å; P217-L220 HydrophobicContact CG-CB 4.25Å; P217-L220 HydrophobicContact CG-CD1 3.98Å; P217-L220 HydrophobicContact CG-CG 4.47Å; P217-L220 PolarHBondContact O-N 2.73Å; P217-V221 HydrophobicContact CG-CG2 4.4Å; P217-V221 PolarHBondContact O-N 3.41Å | ||
| 218 | L | 89.7 | Confident | 91.3 | Very high | 60 Ų | 60 | 37.2 Ų | 37.2 | 31% | 0.314 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -25.8 | -178 | -66.3 | 175.8 | 0 | 0 | 0 | 113.6 | L216 L220 N222 E285 Y286 F289 | L216-L218 HydrophobicContact CD2-CD2 3.91Å; L216-L218 HydrophobicContact CG-CD2 4.17Å; L216-L218 PolarHBondContact O-N 3.2Å; L218-L220 VanDerWaalsContact C-N 3.27Å; L218-L220 PolarHBondContact O-N 3.06Å; L218-N222 PolarHBondContact O-N 3.33Å; L218-E285 WeakPolarHBondContact CD1-O 3.5Å; L218-Y286 HydrophobicContact CD1-CD1 3.87Å; L218-Y286 HydrophobicContact CD1-CE1 4.02Å; L218-Y286 HydrophobicContact CD2-CD1 4.2Å; L218-Y286 HydrophobicContact CD2-CE1 4.31Å; L218-Y286 HydrophobicContact CG-CD1 4.1Å; L218-Y286 HydrophobicContact CG-CE1 3.92Å; L218-F289 HydrophobicContact CD2-CB 4.13Å; L218-F289 HydrophobicContact CD2-CD2 4.07Å; L218-F289 HydrophobicContact CD2-CG 4.11Å |
| 219 | Q | 87.9 | Confident | 91.2 | Very high | 123 Ų | 123 | 37.2 Ų | 37.2 | 58% | 0.575 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -29.1 | 172.8 | 58.3 | 177.2 | -18 | 0 | 0 | 113.8 | I172 P217 | I172-Q219 HydrophobicContact CG2-CG 4.02Å; P217-Q219 PolarHBondContact O-N 3.25Å; P217-Q219 VanDerWaalsContact O-N 3.09Å |
| 220 | L | 88.3 | Confident | 91.2 | Very high | 18 Ų | 18 | 36.7 Ų | 36.7 | 9% | 0.094 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -42.7 | 175 | -66.1 | 178.5 | 0 | 0 | 0 | 111.6 | I172 M175 Q176 L179 P217 L218 | I172-L220 HydrophobicContact CB-CD1 4.35Å; I172-L220 HydrophobicContact CD1-CD1 3.82Å; I172-L220 HydrophobicContact CG2-CD1 3.76Å; I172-L220 HydrophobicContact CG2-CD2 4.1Å; I172-L220 HydrophobicContact CG2-CG 3.79Å; M175-L220 HydrophobicContact CB-CD1 3.63Å; Q176-L220 HydrophobicContact CB-CD2 4.24Å; Q176-L220 HydrophobicContact CG-CD2 3.43Å; Q176-L220 VanDerWaalsContact CG-CD2 3.43Å; L179-L220 HydrophobicContact CD2-CB 4.06Å; P217-L220 HydrophobicContact CB-CB 4.39Å; P217-L220 HydrophobicContact CB-CD1 4.2Å; P217-L220 HydrophobicContact CB-CG 4.38Å; P217-L220 HydrophobicContact CG-CB 4.25Å; P217-L220 HydrophobicContact CG-CD1 3.98Å; P217-L220 HydrophobicContact CG-CG 4.47Å; P217-L220 PolarHBondContact O-N 2.73Å; L218-L220 VanDerWaalsContact C-N 3.27Å; L218-L220 PolarHBondContact O-N 3.06Å |
| 221 | V | 88.9 | Confident | 91.2 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -109.8 | 64.1 | -171.4 | -160.5 | 0 | 0 | 0 | 0 | 110 | L179 F208 L216 P217 M226 | L179-V221 HydrophobicContact CD2-CG2 3.99Å; F208-V221 HydrophobicContact CZ-CG1 4.41Å; L216-V221 HydrophobicContact CD1-CB 4.04Å; L216-V221 HydrophobicContact CD1-CG1 4.33Å; L216-V221 HydrophobicContact CD1-CG2 4.29Å; P217-V221 HydrophobicContact CG-CG2 4.4Å; P217-V221 PolarHBondContact O-N 3.41Å; V221-M226 HydrophobicContact CB-CE 4.41Å; V221-M226 HydrophobicContact CG1-CB 4.1Å; V221-M226 HydrophobicContact CG1-CE 3.34Å; V221-M226 HydrophobicContact CG1-SD 3.95Å |
| 222 | N | 85.2 | Confident | 91.4 | Very high | 69 Ų | 69 | 42.4 Ų | 42.4 | 37% | 0.369 | 22% | 0.216 | S | C | . | . | trans | -71.7 | 173 | 173.4 | 66.4 | 28.2 | 0 | 0 | 0 | 111.9 | L218 Q224 T225 M226 | L218-N222 PolarHBondContact O-N 3.33Å; N222-Q224 VanDerWaalsContact C-N 3.25Å; N222-Q224 PolarHBondContact O-N 3.33Å; N222-Q224 VanDerWaalsContact O-N 3.13Å; N222-Q224 PolarHBondContact OD1-N 3.36Å; N222-T225 PolarHBondContact O-N 2.92Å; N222-T225 VanDerWaalsContact O-N 3.13Å; N222-T225 PolarHBondContact OD1-N 3.29Å; N222-T225 PolarHBondContact OD1-OG1 2.98Å; N222-M226 WeakPolarHBondContact O-CB 3.36Å; N222-M226 PolarHBondContact O-N 2.99Å | ||
| 223 | N | 86.6 | Confident | 91.6 | Very high | 69 Ų | 69 | 42.3 Ų | 42.3 | 37% | 0.369 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -52.9 | -37.2 | -177.6 | -68.2 | -5.4 | 0 | 0 | 0 | 114.2 | T227 F292 Y297 | N223-T227 PolarHBondContact O-N 3.41Å; N223-T227 PolarHBondContact O-OG1 3.41Å; N223-F292 HydrophobicContact CB-CD1 3.97Å; N223-F292 HydrophobicContact CB-CE1 3.5Å; N223-F292 VanDerWaalsContact CB-CE1 3.5Å; N223-F292 HydrophobicContact CB-CZ 4.06Å; N223-F292 VanDerWaalsContact CG-CD1 3.45Å; N223-F292 WeakPolarHBondContact OD1-CD1 3.33Å; N223-Y297 PolarHBondContact O-OH 3.33Å |
| 224 | Q | 87.4 | Confident | 91.8 | Very high | 158 Ų | 158 | 46.5 Ų | 46.5 | 74% | 0.738 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -69.7 | -49.9 | 178.7 | -68.3 | -179.9 | -8.3 | 0 | 0 | 111.3 | N222 M226 T227 T228 | N222-Q224 VanDerWaalsContact C-N 3.25Å; N222-Q224 PolarHBondContact O-N 3.33Å; N222-Q224 VanDerWaalsContact O-N 3.13Å; N222-Q224 PolarHBondContact OD1-N 3.36Å; Q224-M226 VanDerWaalsContact C-N 3.31Å; Q224-M226 PolarHBondContact O-N 3.4Å; Q224-T227 WeakPolarHBondContact O-CB 3.03Å; Q224-T227 PolarHBondContact O-N 3.02Å; Q224-T228 PolarHBondContact O-N 3.49Å |
| 225 | T | 90.4 | Very high | 92.1 | Very high | 32 Ų | 32 | 46.2 Ų | 46.2 | 20% | 0.196 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.9 | -41.2 | 179.7 | -52.4 | 0 | 0 | 0 | 0 | 110.7 | L179 Q183 N222 T228 W229 | L179-T225 HydrophobicContact CD2-CG2 4.35Å; Q183-T225 PolarHBondContact NE2-O 2.86Å; Q183-T225 VanDerWaalsContact NE2-O 3.11Å; N222-T225 PolarHBondContact O-N 2.92Å; N222-T225 VanDerWaalsContact O-N 3.13Å; N222-T225 PolarHBondContact OD1-N 3.29Å; N222-T225 PolarHBondContact OD1-OG1 2.98Å; T225-T228 PolarHBondContact O-N 3.27Å; T225-W229 PolarHBondContact O-N 3.04Å |
| 226 | M | 93.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.7 | -39.4 | 176.4 | -170 | 58.6 | 87.7 | 0 | 0 | 111.7 | L216 V221 N222 Q224 T228 W229 M230 L272 F289 Y297 | L216-M226 HydrophobicContact CD1-CE 3.9Å; L216-M226 HydrophobicContact CD2-CE 4.35Å; V221-M226 HydrophobicContact CB-CE 4.41Å; V221-M226 HydrophobicContact CG1-CB 4.1Å; V221-M226 HydrophobicContact CG1-CE 3.34Å; V221-M226 HydrophobicContact CG1-SD 3.95Å; N222-M226 WeakPolarHBondContact O-CB 3.36Å; N222-M226 PolarHBondContact O-N 2.99Å; Q224-M226 VanDerWaalsContact C-N 3.31Å; Q224-M226 PolarHBondContact O-N 3.4Å; M226-T228 VanDerWaalsContact C-N 3.32Å; M226-T228 PolarHBondContact O-N 3.26Å; M226-W229 PolarHBondContact O-N 2.65Å; M226-W229 VanDerWaalsContact O-N 3.1Å; M226-W229 HydrophobicContact SD-CB 4.41Å; M226-M230 HydrophobicContact CG-CG 4.08Å; M226-M230 WeakPolarHBondContact O-CG 3.38Å; M226-M230 PolarHBondContact O-N 3.11Å; M226-M230 HydrophobicContact SD-CG 4.29Å; M226-M230 HydrophobicContact SD-SD 4.37Å; M226-L272 HydrophobicContact CE-CD1 4.03Å; M226-L272 HydrophobicContact CE-CD2 3.98Å; M226-L272 HydrophobicContact SD-CD1 4.02Å; M226-F289 HydrophobicContact CB-CE2 4.27Å; M226-F289 HydrophobicContact CE-CE2 3.93Å; M226-F289 HydrophobicContact CE-CZ 3.59Å; M226-F289 HydrophobicContact CG-CE2 3.88Å; M226-F289 HydrophobicContact CG-CZ 4Å; M226-F289 HydrophobicContact SD-CZ 4.5Å; M226-Y297 HydrophobicContact CG-CE2 4.08Å |
| 227 | T | 94.3 | Very high | 92.8 | Very high | 41 Ų | 41 | 44.9 Ų | 44.9 | 25% | 0.252 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -55.6 | -48.4 | 178.2 | -59.3 | 0 | 0 | 0 | 0 | 111.3 | N223 Q224 W229 M230 E231 Y297 | N223-T227 PolarHBondContact O-N 3.41Å; N223-T227 PolarHBondContact O-OG1 3.41Å; Q224-T227 WeakPolarHBondContact O-CB 3.03Å; Q224-T227 PolarHBondContact O-N 3.02Å; T227-W229 PolarHBondContact O-N 2.84Å; T227-M230 PolarHBondContact O-N 2.94Å; T227-E231 WeakPolarHBondContact O-CG 3.36Å; T227-E231 PolarHBondContact O-N 2.93Å; T227-Y297 VanDerWaalsContact CA-OH 3.27Å; T227-Y297 WeakPolarHBondContact CA-OH 3.31Å; T227-Y297 WeakPolarHBondContact CB-OH 3.39Å; T227-Y297 HydrophobicContact CG2-CE1 4.27Å; T227-Y297 PolarHBondContact N-OH 3.47Å; T227-Y297 PolarHBondContact OG1-OH 2.96Å |
| 228 | T | 94.9 | Very high | 92.9 | Very high | 48 Ų | 48 | 47.4 Ų | 47.4 | 29% | 0.294 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.7 | -40.5 | 177.8 | -56 | 0 | 0 | 0 | 0 | 111.8 | Q183 Q224 T225 M226 E231 I232 | Q183-T228 HydrophobicContact CG-CG2 4Å; Q224-T228 PolarHBondContact O-N 3.49Å; T225-T228 PolarHBondContact O-N 3.27Å; M226-T228 VanDerWaalsContact C-N 3.32Å; M226-T228 PolarHBondContact O-N 3.26Å; T228-E231 PolarHBondContact O-N 2.67Å; T228-I232 HydrophobicContact CG2-CD1 4.09Å; T228-I232 WeakPolarHBondContact O-CD1 3.38Å; T228-I232 VanDerWaalsContact O-CG1 3.25Å; T228-I232 WeakPolarHBondContact O-CG1 3.41Å; T228-I232 PolarHBondContact O-N 2.72Å |
| 229 | W | 97 | Very high | 93 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.5 | -42 | 174.3 | -80.4 | 114.3 | 0 | 0 | 0 | 112.7 | L179 I182 Q183 I186 I204 F208 T225 M226 T227 E231 I232 F233 | L179-W229 HydrophobicContact CD1-CZ2 3.84Å; I182-W229 HydrophobicContact CG1-CH2 4.27Å; I182-W229 HydrophobicContact CG1-CZ2 4.17Å; Q183-W229 HydrophobicContact CB-CH2 4.4Å; Q183-W229 HydrophobicContact CB-CZ2 3.71Å; Q183-W229 HydrophobicContact CG-CZ2 4.12Å; Q183-W229 VanDerWaalsContact NE2-NE1 3.17Å; I186-W229 HydrophobicContact CD1-CZ3 4.41Å; I186-W229 HydrophobicContact CG2-CH2 4.22Å; I186-W229 HydrophobicContact CG2-CZ3 4.06Å; I204-W229 HydrophobicContact CG2-CH2 3.77Å; I204-W229 HydrophobicContact CG2-CZ3 4.25Å; F208-W229 AromaticContact CD2-CD2 3.79Å; F208-W229 HydrophobicContact CD2-CD2 3.79Å; F208-W229 AromaticContact CD2-CE2 3.56Å; F208-W229 HydrophobicContact CD2-CE3 4.14Å; F208-W229 HydrophobicContact CD2-CG 4.33Å; F208-W229 HydrophobicContact CD2-CH2 4.09Å; F208-W229 AromaticContact CD2-CZ2 3.73Å; F208-W229 HydrophobicContact CD2-CZ2 3.73Å; F208-W229 HydrophobicContact CD2-CZ3 4.27Å; F208-W229 AromaticContact CD2-NE1 3.95Å; F208-W229 AromaticContact CE2-CD1 3.58Å; F208-W229 AromaticContact CE2-CD2 3.67Å; F208-W229 HydrophobicContact CE2-CD2 3.67Å; F208-W229 AromaticContact CE2-CE2 3.58Å; F208-W229 HydrophobicContact CE2-CE3 4.38Å; F208-W229 AromaticContact CE2-CG 3.71Å; F208-W229 HydrophobicContact CE2-CG 3.71Å; F208-W229 HydrophobicContact CE2-CZ2 4.22Å; F208-W229 AromaticContact CE2-NE1 3.52Å; F208-W229 HydrophobicContact CZ-CB 4.45Å; F208-W229 HydrophobicContact CZ-CD2 4.35Å; F208-W229 HydrophobicContact CZ-CG 4.09Å; T225-W229 PolarHBondContact O-N 3.04Å; M226-W229 PolarHBondContact O-N 2.65Å; M226-W229 VanDerWaalsContact O-N 3.1Å; M226-W229 HydrophobicContact SD-CB 4.41Å; T227-W229 PolarHBondContact O-N 2.84Å; W229-E231 VanDerWaalsContact C-N 3.33Å; W229-E231 PolarHBondContact O-N 3.22Å; W229-I232 HydrophobicContact CD2-CD1 4.27Å; W229-I232 HydrophobicContact CE3-CD1 3.88Å; W229-I232 HydrophobicContact CE3-CG2 4.46Å; W229-I232 HydrophobicContact CZ3-CD1 4.24Å; W229-I232 WeakPolarHBondContact O-CB 3.25Å; W229-I232 PolarHBondContact O-N 2.96Å; W229-F233 HydrophobicContact CB-CE2 3.82Å; W229-F233 HydrophobicContact CB-CZ 3.92Å; W229-F233 HydrophobicContact CD2-CZ 4.23Å; W229-F233 AromaticContact CE3-CE1 3.71Å; W229-F233 HydrophobicContact CE3-CE1 3.71Å; W229-F233 AromaticContact CE3-CZ 3.7Å; W229-F233 HydrophobicContact CE3-CZ 3.7Å; W229-F233 HydrophobicContact CG-CZ 4.36Å; W229-F233 HydrophobicContact CZ3-CE1 4.28Å; W229-F233 WeakPolarHBondContact O-CD2 3.36Å; W229-F233 WeakPolarHBondContact O-CG 3.49Å; W229-F233 PolarHBondContact O-N 2.98Å |
| 230 | M | 96.4 | Very high | 93.1 | Very high | 7 Ų | 7 | 45.9 Ų | 45.9 | 3% | 0.034 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.9 | -37.2 | 177 | -67.3 | -54.8 | -69.7 | 0 | 0 | 112.3 | M226 T227 F233 R234 V269 L272 F293 Y297 I301 | M226-M230 HydrophobicContact CG-CG 4.08Å; M226-M230 WeakPolarHBondContact O-CG 3.38Å; M226-M230 PolarHBondContact O-N 3.11Å; M226-M230 HydrophobicContact SD-CG 4.29Å; M226-M230 HydrophobicContact SD-SD 4.37Å; T227-M230 PolarHBondContact O-N 2.94Å; M230-F233 PolarHBondContact O-N 2.98Å; M230-F233 HydrophobicContact SD-CD2 3.83Å; M230-F233 HydrophobicContact SD-CE2 4.23Å; M230-R234 VanDerWaalsContact O-CB 3.25Å; M230-R234 WeakPolarHBondContact O-CB 3.41Å; M230-R234 PolarHBondContact O-N 3.24Å; M230-V269 HydrophobicContact CE-CG1 3.93Å; M230-V269 HydrophobicContact SD-CG1 4.19Å; M230-L272 HydrophobicContact SD-CD1 4.14Å; M230-F293 HydrophobicContact CE-CE2 3.72Å; M230-F293 HydrophobicContact CE-CZ 4.09Å; M230-F293 HydrophobicContact SD-CE2 4.09Å; M230-Y297 HydrophobicContact CB-CD1 3.95Å; M230-Y297 HydrophobicContact CB-CE1 4.23Å; M230-Y297 HydrophobicContact CB-CG 4.15Å; M230-Y297 HydrophobicContact CE-CG 4.22Å; M230-Y297 HydrophobicContact CG-CD1 4.01Å; M230-Y297 HydrophobicContact CG-CD2 3.78Å; M230-Y297 HydrophobicContact CG-CE1 4.25Å; M230-Y297 HydrophobicContact CG-CE2 4.04Å; M230-Y297 HydrophobicContact CG-CG 3.76Å; M230-I301 HydrophobicContact CE-CD1 4.14Å; M230-I301 HydrophobicContact CE-CG1 3.75Å |
| 231 | E | 95.7 | Very high | 93.2 | Very high | 118 Ų | 118 | 46.5 Ų | 46.5 | 55% | 0.551 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -65.9 | -39.7 | 172.5 | -72 | 176.2 | 178 | 0 | 0 | 112.5 | T227 T228 W229 T235 | T227-E231 WeakPolarHBondContact O-CG 3.36Å; T227-E231 PolarHBondContact O-N 2.93Å; T228-E231 PolarHBondContact O-N 2.67Å; W229-E231 VanDerWaalsContact C-N 3.33Å; W229-E231 PolarHBondContact O-N 3.22Å; E231-T235 VanDerWaalsContact O-CB 3.32Å; E231-T235 WeakPolarHBondContact O-CB 3.37Å; E231-T235 PolarHBondContact O-N 2.84Å; E231-T235 PolarHBondContact O-OG1 2.99Å |
| 232 | I | 97.2 | Very high | 93.2 | Very high | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.015 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.7 | -52.6 | 173.5 | -69 | 157.8 | 0 | 0 | 0 | 109.6 | Q183 I186 V187 L190 T228 W229 R234 T235 I236 | Q183-I232 HydrophobicContact CG-CD1 3.97Å; I186-I232 HydrophobicContact CD1-CG2 3.84Å; I186-I232 HydrophobicContact CG1-CG2 4.2Å; I186-I232 HydrophobicContact CG2-CD1 3.61Å; I186-I232 HydrophobicContact CG2-CG1 4.24Å; I186-I232 HydrophobicContact CG2-CG2 4.07Å; V187-I232 HydrophobicContact CG2-CD1 3.81Å; V187-I232 HydrophobicContact CG2-CG1 3.93Å; L190-I232 HydrophobicContact CD1-CG1 4.21Å; L190-I232 HydrophobicContact CD2-CG2 4.47Å; T228-I232 HydrophobicContact CG2-CD1 4.09Å; T228-I232 WeakPolarHBondContact O-CD1 3.38Å; T228-I232 VanDerWaalsContact O-CG1 3.25Å; T228-I232 WeakPolarHBondContact O-CG1 3.41Å; T228-I232 PolarHBondContact O-N 2.72Å; W229-I232 HydrophobicContact CD2-CD1 4.27Å; W229-I232 HydrophobicContact CE3-CD1 3.88Å; W229-I232 HydrophobicContact CE3-CG2 4.46Å; W229-I232 HydrophobicContact CZ3-CD1 4.24Å; W229-I232 WeakPolarHBondContact O-CB 3.25Å; W229-I232 PolarHBondContact O-N 2.96Å; I232-R234 PolarHBondContact O-N 3.36Å; I232-T235 PolarHBondContact O-N 3.05Å; I232-I236 HydrophobicContact CG2-CD1 3.82Å; I232-I236 HydrophobicContact CG2-CG1 4.48Å; I232-I236 VanDerWaalsContact O-CG1 3.31Å; I232-I236 WeakPolarHBondContact O-CG1 3.37Å; I232-I236 PolarHBondContact O-N 3.46Å |
| 233 | F | 97.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.3 | -49.5 | -179.7 | -55.9 | -36.7 | 0 | 0 | 0 | 110.9 | L205 F208 W229 M230 T235 I236 I237 A265 I268 V269 L272 | L205-F233 HydrophobicContact CD2-CD1 3.74Å; L205-F233 HydrophobicContact CD2-CE1 3.52Å; F208-F233 AromaticContact CD1-CZ 3.77Å; F208-F233 HydrophobicContact CD1-CZ 3.77Å; F208-F233 HydrophobicContact CE1-CE2 4.15Å; F208-F233 AromaticContact CE1-CZ 3.68Å; F208-F233 HydrophobicContact CE1-CZ 3.68Å; F208-F233 HydrophobicContact CG-CZ 4.34Å; F208-F233 HydrophobicContact CZ-CZ 4.18Å; W229-F233 HydrophobicContact CB-CE2 3.82Å; W229-F233 HydrophobicContact CB-CZ 3.92Å; W229-F233 HydrophobicContact CD2-CZ 4.23Å; W229-F233 AromaticContact CE3-CE1 3.71Å; W229-F233 HydrophobicContact CE3-CE1 3.71Å; W229-F233 AromaticContact CE3-CZ 3.7Å; W229-F233 HydrophobicContact CE3-CZ 3.7Å; W229-F233 HydrophobicContact CG-CZ 4.36Å; W229-F233 HydrophobicContact CZ3-CE1 4.28Å; W229-F233 WeakPolarHBondContact O-CD2 3.36Å; W229-F233 WeakPolarHBondContact O-CG 3.49Å; W229-F233 PolarHBondContact O-N 2.98Å; M230-F233 PolarHBondContact O-N 2.98Å; M230-F233 HydrophobicContact SD-CD2 3.83Å; M230-F233 HydrophobicContact SD-CE2 4.23Å; F233-T235 VanDerWaalsContact C-N 3.28Å; F233-T235 PolarHBondContact O-N 3.26Å; F233-I236 PolarHBondContact O-N 3.29Å; F233-I236 VanDerWaalsContact O-N 3.16Å; F233-I237 HydrophobicContact CB-CD1 4.36Å; F233-I237 WeakPolarHBondContact O-CB 3.46Å; F233-I237 WeakPolarHBondContact O-CD1 3.07Å; F233-I237 WeakPolarHBondContact O-CG1 3.31Å; F233-I237 PolarHBondContact O-N 2.93Å; F233-A265 HydrophobicContact CB-CB 4.49Å; F233-A265 HydrophobicContact CD1-CB 4.4Å; F233-I268 HydrophobicContact CD2-CG2 4.31Å; F233-I268 HydrophobicContact CE1-CD1 3.86Å; F233-I268 HydrophobicContact CE1-CG2 4.21Å; F233-I268 HydrophobicContact CE2-CG2 3.63Å; F233-I268 HydrophobicContact CZ-CB 4.41Å; F233-I268 HydrophobicContact CZ-CD1 4.2Å; F233-I268 HydrophobicContact CZ-CG2 3.59Å; F233-V269 HydrophobicContact CB-CG1 3.68Å; F233-V269 HydrophobicContact CD2-CG1 3.57Å; F233-V269 HydrophobicContact CG-CG1 3.89Å; F233-L272 HydrophobicContact CE2-CD1 4.28Å |
| 234 | R | 96.4 | Very high | 93.2 | Very high | 110 Ų | 110 | 51.1 Ų | 51.1 | 42% | 0.415 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -54.7 | -44.5 | 177.8 | -173.6 | -179 | 169.9 | 170.7 | 1.5 | 112 | M230 I232 I237 D238 I301 V304 | M230-R234 VanDerWaalsContact O-CB 3.25Å; M230-R234 WeakPolarHBondContact O-CB 3.41Å; M230-R234 PolarHBondContact O-N 3.24Å; I232-R234 PolarHBondContact O-N 3.36Å; R234-I237 PolarHBondContact O-N 3.37Å; R234-D238 WeakPolarHBondContact O-CB 3.47Å; R234-D238 PolarHBondContact O-N 3.19Å; R234-I301 HydrophobicContact CB-CD1 3.81Å; R234-I301 HydrophobicContact CG-CD1 4.3Å; R234-V304 HydrophobicContact CG-CG2 3.82Å |
| 235 | T | 96.1 | Very high | 93.1 | Very high | 70 Ų | 70 | 43.9 Ų | 43.9 | 43% | 0.429 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.2 | -43.4 | 179.6 | -59.7 | 0 | 0 | 0 | 0 | 111.8 | L190 E231 I232 F233 I237 D238 R239 | L190-T235 HydrophobicContact CD1-CG2 4.32Å; L190-T235 HydrophobicContact CD2-CG2 4.42Å; E231-T235 VanDerWaalsContact O-CB 3.32Å; E231-T235 WeakPolarHBondContact O-CB 3.37Å; E231-T235 PolarHBondContact O-N 2.84Å; E231-T235 PolarHBondContact O-OG1 2.99Å; I232-T235 PolarHBondContact O-N 3.05Å; F233-T235 VanDerWaalsContact C-N 3.28Å; F233-T235 PolarHBondContact O-N 3.26Å; T235-I237 VanDerWaalsContact C-N 3.33Å; T235-D238 PolarHBondContact O-N 2.82Å; T235-R239 WeakPolarHBondContact O-CB 3.4Å; T235-R239 PolarHBondContact O-N 3.46Å; T235-R239 VanDerWaalsContact O-N 3.1Å |
| 236 | I | 96.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.9 | -41.6 | 177.3 | -66.9 | 176.1 | 0 | 0 | 0 | 110.7 | I186 L190 L205 I232 F233 A265 | I186-I236 HydrophobicContact CD1-CD1 4.05Å; L190-I236 HydrophobicContact CD2-CD1 3.99Å; L190-I236 HydrophobicContact CD2-CG1 3.52Å; L205-I236 HydrophobicContact CD1-CD1 3.94Å; L205-I236 HydrophobicContact CD2-CD1 4.13Å; L205-I236 HydrophobicContact CG-CD1 4.37Å; I232-I236 HydrophobicContact CG2-CD1 3.82Å; I232-I236 HydrophobicContact CG2-CG1 4.48Å; I232-I236 VanDerWaalsContact O-CG1 3.31Å; I232-I236 WeakPolarHBondContact O-CG1 3.37Å; I232-I236 PolarHBondContact O-N 3.46Å; F233-I236 PolarHBondContact O-N 3.29Å; F233-I236 VanDerWaalsContact O-N 3.16Å; I236-A265 HydrophobicContact CB-CB 4.11Å; I236-A265 HydrophobicContact CG2-CB 3.73Å |
| 237 | I | 96.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.5 | -42 | -179.8 | -61.6 | 163 | 0 | 0 | 0 | 110.6 | F233 R234 T235 K262 A265 L266 V269 I301 V304 L305 I308 | F233-I237 HydrophobicContact CB-CD1 4.36Å; F233-I237 WeakPolarHBondContact O-CB 3.46Å; F233-I237 WeakPolarHBondContact O-CD1 3.07Å; F233-I237 WeakPolarHBondContact O-CG1 3.31Å; F233-I237 PolarHBondContact O-N 2.93Å; R234-I237 PolarHBondContact O-N 3.37Å; T235-I237 VanDerWaalsContact C-N 3.33Å; I237-K262 PolarHBondContact O-NZ 3.13Å; I237-A265 HydrophobicContact CD1-CB 4.33Å; I237-A265 HydrophobicContact CG1-CB 3.89Å; I237-L266 HydrophobicContact CD1-CD2 3.66Å; I237-L266 HydrophobicContact CD1-CG 4.12Å; I237-L266 HydrophobicContact CG1-CD2 3.92Å; I237-L266 HydrophobicContact CG1-CG 3.97Å; I237-L266 HydrophobicContact CG2-CD2 3.78Å; I237-L266 HydrophobicContact CG2-CG 4.25Å; I237-V269 HydrophobicContact CD1-CG2 4.03Å; I237-I301 HydrophobicContact CD1-CD1 4.5Å; I237-V304 HydrophobicContact CB-CG1 4.14Å; I237-V304 HydrophobicContact CG2-CB 4.42Å; I237-V304 HydrophobicContact CG2-CG1 3.58Å; I237-L305 HydrophobicContact CG2-CD2 4.18Å; I237-I308 HydrophobicContact CG2-CD1 3.56Å |
| 238 | D | 94.8 | Very high | 92.4 | Very high | 69 Ų | 69 | 55.5 Ų | 55.5 | 37% | 0.369 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -77.4 | -22.5 | -177.3 | -170.1 | 41.8 | 0 | 0 | 0 | 114.2 | R234 T235 T240 V304 K307 | R234-D238 WeakPolarHBondContact O-CB 3.47Å; R234-D238 PolarHBondContact O-N 3.19Å; T235-D238 PolarHBondContact O-N 2.82Å; D238-T240 PolarHBondContact O-N 2.9Å; D238-V304 HydrophobicContact CB-CG1 3.61Å; D238-V304 HydrophobicContact CB-CG2 4.16Å; D238-K307 WeakPolarHBondContact OD1-CD 3.43Å; D238-K307 IonicContact OD1-NZ 2.63Å; D238-K307 PolarHBondContact OD1-NZ 2.79Å; D238-K307 IonicContact OD2-NZ 3.44Å |
| 239 | R | 92.3 | Very high | 92.1 | Very high | 50 Ų | 50 | 58.1 Ų | 58.1 | 19% | 0.189 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -60.1 | 134.5 | -179 | 173.9 | 169.2 | 49.1 | -176.2 | -1.8 | 111.9 | L190 T235 K262 | L190-R239 PolarHBondContact O-NH1 3.12Å; T235-R239 WeakPolarHBondContact O-CB 3.4Å; T235-R239 PolarHBondContact O-N 3.46Å; T235-R239 VanDerWaalsContact O-N 3.1Å; R239-K262 WeakPolarHBondContact O-CE 3.33Å; R239-K262 PolarHBondContact O-NZ 3.18Å |
| 240 | T | 89.6 | Confident | 91.4 | Very high | 102 Ų | 102 | 62.7 Ų | 62.7 | 63% | 0.626 | 32% | 0.319 | S | S | * | . | P | Polyproline II helix | trans | -70 | 147.4 | 176 | 51.9 | 0 | 0 | 0 | 0 | 111.7 | D238 | D238-T240 PolarHBondContact O-N 2.9Š|
| 241 | V | 90.2 | Very high | 90.9 | Very high | 30 Ų | 30 | 68.8 Ų | 68.8 | 18% | 0.182 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -81.6 | 138.9 | 171.4 | -177.4 | 0 | 0 | 0 | 0 | 108.8 | T245 W258 W259 K262 | V241-T245 HydrophobicContact CG1-CG2 3.8Å; V241-T245 WeakPolarHBondContact CG1-OG1 3.47Å; V241-W258 HydrophobicContact CG1-CB 3.98Å; V241-W258 HydrophobicContact CG1-CG 4.45Å; V241-W258 HydrophobicContact CG2-CB 4.4Å; V241-W259 HydrophobicContact CB-CZ2 4.21Å; V241-W259 HydrophobicContact CG1-CZ2 4.44Å; V241-W259 HydrophobicContact CG2-CD2 4.15Å; V241-W259 HydrophobicContact CG2-CE3 4.32Å; V241-W259 HydrophobicContact CG2-CH2 3.92Å; V241-W259 HydrophobicContact CG2-CZ2 3.73Å; V241-W259 HydrophobicContact CG2-CZ3 4.23Å; V241-K262 HydrophobicContact CG2-CD 3.97Å |
| 242 | P | 89.5 | Confident | 90.5 | Very high | 27 Ų | 27 | 67.9 Ų | 67.9 | 18% | 0.175 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -59 | 137.4 | 180 | -23.1 | 33.5 | 0 | 0 | 0 | 112.3 | E244 T245 W258 | P242-E244 WeakPolarHBondContact CB-OE2 3.3Å; P242-E244 PolarHBondContact O-N 3.02Å; P242-E244 VanDerWaalsContact O-N 3.13Å; P242-T245 WeakPolarHBondContact O-CG2 3.45Å; P242-T245 PolarHBondContact O-N 3.46Å; P242-T245 VanDerWaalsContact O-N 3.13Å; P242-T245 PolarHBondContact O-OG1 2.9Å; P242-W258 HydrophobicContact CG-CD2 4.29Å; P242-W258 HydrophobicContact CG-CG 4.46Å; P242-W258 HydrophobicContact CG-CZ2 4.21Å |
| 243 | P | 85.6 | Confident | 90.3 | Very high | 87 Ų | 87 | 68.9 Ų | 68.9 | 57% | 0.565 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -62.9 | -22.8 | -175.7 | 26.6 | -35.1 | 0 | 0 | 0 | 113.3 | T245 L246 | P243-T245 PolarHBondContact O-N 3.16Å; P243-L246 WeakPolarHBondContact O-CB 3.24Å; P243-L246 PolarHBondContact O-N 3.18Å; P243-L246 VanDerWaalsContact O-N 3.08Å |
| 244 | E | 85.9 | Confident | 89.9 | Confident | 121 Ų | 121 | 71 Ų | 71 | 57% | 0.565 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -62.7 | -22.1 | 178.2 | -57.1 | 78.8 | -173.3 | 0 | 0 | 112.4 | P242 L246 H247 | P242-E244 WeakPolarHBondContact CB-OE2 3.3Å; P242-E244 PolarHBondContact O-N 3.02Å; P242-E244 VanDerWaalsContact O-N 3.13Å; E244-L246 PolarHBondContact O-N 3.5Å; E244-H247 PolarHBondContact O-CD2 2.98Å; E244-H247 PolarHBondContact O-N 3.37Å |
| 245 | T | 85.6 | Confident | 89.6 | Confident | 7 Ų | 7 | 71.5 Ų | 71.5 | 4% | 0.043 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -68.2 | -19.4 | 176.5 | 65.4 | 0 | 0 | 0 | 0 | 113 | V241 P242 P243 H247 I248 L256 W258 | V241-T245 HydrophobicContact CG1-CG2 3.8Å; V241-T245 WeakPolarHBondContact CG1-OG1 3.47Å; P242-T245 WeakPolarHBondContact O-CG2 3.45Å; P242-T245 PolarHBondContact O-N 3.46Å; P242-T245 VanDerWaalsContact O-N 3.13Å; P242-T245 PolarHBondContact O-OG1 2.9Å; P243-T245 PolarHBondContact O-N 3.16Å; T245-H247 PolarHBondContact O-N 2.96Å; T245-I248 PolarHBondContact O-N 3.01Å; T245-L256 HydrophobicContact CG2-CD1 3.85Å; T245-W258 HydrophobicContact CG2-CD2 4.38Å; T245-W258 HydrophobicContact CG2-CE3 3.68Å; T245-W258 HydrophobicContact CG2-CZ3 3.87Å |
| 246 | L | 85.9 | Confident | 89.4 | Confident | 87 Ų | 87 | 69.3 Ų | 69.3 | 46% | 0.455 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -73.9 | -11.9 | 178.3 | -61.3 | 172.6 | 0 | 0 | 0 | 112.7 | P243 E244 I248 R253 | P243-L246 WeakPolarHBondContact O-CB 3.24Å; P243-L246 PolarHBondContact O-N 3.18Å; P243-L246 VanDerWaalsContact O-N 3.08Å; E244-L246 PolarHBondContact O-N 3.5Å; L246-I248 VanDerWaalsContact C-N 3.27Å; L246-R253 PolarHBondContact O-NH2 3.25Å; L246-R253 VanDerWaalsContact O-NH2 3.14Å |
| 247 | H | 87.9 | Confident | 89.3 | Confident | 168 Ų | 168 | 69.6 Ų | 69.6 | 78% | 0.778 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -80.2 | -9.4 | 174.3 | -59.9 | -49.1 | 0 | 0 | 0 | 113.6 | E244 T245 | E244-H247 PolarHBondContact O-CD2 2.98Å; E244-H247 PolarHBondContact O-N 3.37Å; T245-H247 PolarHBondContact O-N 2.96Å |
| 248 | I | 89.6 | Confident | 89.2 | Confident | 62 Ų | 62 | 71.8 Ų | 71.8 | 32% | 0.318 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -87.7 | 149.4 | 177.1 | -60.8 | 177.9 | 0 | 0 | 0 | 108.1 | T245 L246 D252 R253 L256 | T245-I248 PolarHBondContact O-N 3.01Å; L246-I248 VanDerWaalsContact C-N 3.27Å; I248-D252 HydrophobicContact CG2-CB 3.58Å; I248-R253 HydrophobicContact CB-CG 4.38Å; I248-R253 PolarHBondContact O-NE 3.33Å; I248-R253 PolarHBondContact O-NH2 3.11Å; I248-R253 VanDerWaalsContact O-NH2 3.17Å; I248-L256 HydrophobicContact CD1-CD1 3.93Å; I248-L256 HydrophobicContact CD1-CD2 3.43Å; I248-L256 VanDerWaalsContact CD1-CD2 3.43Å; I248-L256 HydrophobicContact CD1-CG 4.28Å |
| 249 | D | 87.7 | Confident | 89.3 | Confident | 102 Ų | 102 | 69.3 Ų | 69.3 | 55% | 0.545 | 36% | 0.356 | S | S | . | . | trans | -54.9 | 145.3 | 176.9 | -149.3 | -40.9 | 0 | 0 | 0 | 111.3 | D251 D252 R253 | D249-D251 PolarHBondContact O-N 3.23Å; D249-D252 HydrophobicContact CB-CB 4.44Å; D249-D252 PolarHBondContact O-N 3.25Å; D249-D252 VanDerWaalsContact O-N 3.12Å; D249-R253 VanDerWaalsContact O-CG 3.31Å; D249-R253 WeakPolarHBondContact O-CG 3.39Å; D249-R253 PolarHBondContact O-N 3.18Å | ||
| 250 | E | 83.5 | Confident | 89.4 | Confident | 96 Ų | 96 | 69.2 Ų | 69.2 | 45% | 0.449 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -34.1 | -176.6 | -75.3 | -165.7 | 176.3 | 0 | 0 | 112.8 | R253 P254 Y317 | E250-R253 IonicContact OE1-CZ 3.95Å; E250-R253 IonicContact OE1-NH1 2.8Å; E250-R253 PolarHBondContact OE1-NH1 3.31Å; E250-R253 IonicContact OE1-NH2 2.77Å; E250-R253 PolarHBondContact OE1-NH2 3.1Å; E250-P254 WeakPolarHBondContact O-CD 3.12Å; E250-Y317 PolarHBondContact O-OH 2.85Å |
| 251 | D | 84.1 | Confident | 89.7 | Confident | 136 Ų | 136 | 64.4 Ų | 64.4 | 73% | 0.727 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -30.9 | 178.1 | -60.9 | -24.3 | 0 | 0 | 0 | 112.7 | D249 P254 | D249-D251 PolarHBondContact O-N 3.23Å; D251-P254 WeakPolarHBondContact O-CD 3.21Å |
| 252 | D | 88.9 | Confident | 90 | Very high | 98 Ų | 98 | 63.7 Ų | 63.7 | 52% | 0.524 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -19.5 | -179.9 | -78.1 | -35.3 | 0 | 0 | 0 | 112.9 | I248 D249 P254 E255 | I248-D252 HydrophobicContact CG2-CB 3.58Å; D249-D252 HydrophobicContact CB-CB 4.44Å; D249-D252 PolarHBondContact O-N 3.25Å; D249-D252 VanDerWaalsContact O-N 3.12Å; D252-P254 VanDerWaalsContact C-CD 3.42Å; D252-E255 WeakPolarHBondContact O-CB 3.39Å; D252-E255 PolarHBondContact O-N 3.12Å; D252-E255 VanDerWaalsContact O-N 3.07Å |
| 253 | R | 91.4 | Very high | 90.2 | Very high | 25 Ų | 25 | 65 Ų | 65 | 9% | 0.094 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -56.6 | -40.5 | -179.5 | -79.2 | 171.9 | -158.2 | 170.3 | 13.6 | 113.9 | L246 I248 D249 E250 E255 L256 Y317 | L246-R253 PolarHBondContact O-NH2 3.25Å; L246-R253 VanDerWaalsContact O-NH2 3.14Å; I248-R253 HydrophobicContact CB-CG 4.38Å; I248-R253 PolarHBondContact O-NE 3.33Å; I248-R253 PolarHBondContact O-NH2 3.11Å; I248-R253 VanDerWaalsContact O-NH2 3.17Å; D249-R253 VanDerWaalsContact O-CG 3.31Å; D249-R253 WeakPolarHBondContact O-CG 3.39Å; D249-R253 PolarHBondContact O-N 3.18Å; E250-R253 IonicContact OE1-CZ 3.95Å; E250-R253 IonicContact OE1-NH1 2.8Å; E250-R253 PolarHBondContact OE1-NH1 3.31Å; E250-R253 IonicContact OE1-NH2 2.77Å; E250-R253 PolarHBondContact OE1-NH2 3.1Å; R253-E255 PolarHBondContact O-N 2.89Å; R253-L256 HydrophobicContact CB-CD1 4.38Å; R253-L256 HydrophobicContact CG-CD1 4.32Å; R253-L256 VanDerWaalsContact O-CB 3.29Å; R253-L256 WeakPolarHBondContact O-CB 3.4Å; R253-L256 VanDerWaalsContact O-CG 3.23Å; R253-L256 WeakPolarHBondContact O-CG 3.46Å; R253-L256 PolarHBondContact O-N 3.29Å; R253-L256 VanDerWaalsContact O-N 3.14Å; R253-Y317 HydrophobicContact CB-CE1 3.71Å; R253-Y317 HydrophobicContact CB-CE2 4.39Å; R253-Y317 VanDerWaalsContact CB-OH 3.32Å; R253-Y317 WeakPolarHBondContact CB-OH 3.26Å; R253-Y317 HydrophobicContact CG-CE1 4.35Å |
| 254 | P | 89.8 | Confident | 90.8 | Very high | 43 Ų | 43 | 62.5 Ų | 62.5 | 28% | 0.279 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -58.5 | -27.5 | 176.7 | -24.5 | 35.2 | 0 | 0 | 0 | 113.1 | E250 D251 D252 L256 Y317 | E250-P254 WeakPolarHBondContact O-CD 3.12Å; D251-P254 WeakPolarHBondContact O-CD 3.21Å; D252-P254 VanDerWaalsContact C-CD 3.42Å; P254-L256 PolarHBondContact O-N 3.22Å; P254-Y317 WeakPolarHBondContact CD-OH 3.39Å; P254-Y317 WeakPolarHBondContact CG-OH 3.41Å |
| 255 | E | 89.9 | Confident | 91.3 | Very high | 121 Ų | 121 | 56.7 Ų | 56.7 | 57% | 0.565 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -77.4 | -11.8 | -177.7 | -69.8 | -63.8 | 91 | 0 | 0 | 113.7 | D252 R253 K260 | D252-E255 WeakPolarHBondContact O-CB 3.39Å; D252-E255 PolarHBondContact O-N 3.12Å; D252-E255 VanDerWaalsContact O-N 3.07Å; R253-E255 PolarHBondContact O-N 2.89Å; E255-K260 WeakPolarHBondContact O-CD 3.32Å; E255-K260 WeakPolarHBondContact O-CE 3.14Å; E255-K260 PolarHBondContact O-NZ 3.37Å; E255-K260 WeakPolarHBondContact OE1-CE 3.37Å; E255-K260 IonicContact OE1-NZ 3.83Å; E255-K260 PolarHBondContact OE1-NZ 3.04Å; E255-K260 IonicContact OE2-NZ 2.87Å; E255-K260 PolarHBondContact OE2-NZ 3.34Å |
| 256 | L | 92.8 | Very high | 91.8 | Very high | 25 Ų | 25 | 56.4 Ų | 56.4 | 13% | 0.131 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -66.1 | 145.5 | 179.3 | -58.9 | 175.6 | 0 | 0 | 0 | 112.6 | T245 I248 R253 P254 W258 W259 K260 | T245-L256 HydrophobicContact CG2-CD1 3.85Å; I248-L256 HydrophobicContact CD1-CD1 3.93Å; I248-L256 HydrophobicContact CD1-CD2 3.43Å; I248-L256 VanDerWaalsContact CD1-CD2 3.43Å; I248-L256 HydrophobicContact CD1-CG 4.28Å; R253-L256 HydrophobicContact CB-CD1 4.38Å; R253-L256 HydrophobicContact CG-CD1 4.32Å; R253-L256 VanDerWaalsContact O-CB 3.29Å; R253-L256 WeakPolarHBondContact O-CB 3.4Å; R253-L256 VanDerWaalsContact O-CG 3.23Å; R253-L256 WeakPolarHBondContact O-CG 3.46Å; R253-L256 PolarHBondContact O-N 3.29Å; R253-L256 VanDerWaalsContact O-N 3.14Å; P254-L256 PolarHBondContact O-N 3.22Å; L256-W258 VanDerWaalsContact C-N 3.29Å; L256-W258 HydrophobicContact CB-CE3 4.25Å; L256-W258 PolarHBondContact O-N 3.31Å; L256-W259 PolarHBondContact O-N 3.42Å; L256-K260 PolarHBondContact O-N 3.14Å |
| 257 | V | 94.1 | Very high | 92.2 | Very high | 5 Ų | 5 | 54.3 Ų | 54.3 | 3% | 0.03 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.4 | -33.2 | -172.7 | 76.7 | 0 | 0 | 0 | 0 | 113 | Y195 V198 L199 K202 C261 | Y195-V257 HydrophobicContact CD2-CB 4.27Å; Y195-V257 HydrophobicContact CD2-CG1 3.59Å; Y195-V257 HydrophobicContact CE2-CB 3.99Å; Y195-V257 HydrophobicContact CE2-CG1 3.84Å; Y195-V257 HydrophobicContact CG-CG1 4.31Å; V198-V257 HydrophobicContact CB-CG1 4Å; V198-V257 HydrophobicContact CB-CG2 4.46Å; V198-V257 HydrophobicContact CG1-CB 4.45Å; V198-V257 HydrophobicContact CG1-CG1 3.89Å; V198-V257 HydrophobicContact CG1-CG2 4.13Å; L199-V257 VanDerWaalsContact CA-CG2 3.44Å; L199-V257 HydrophobicContact CB-CG2 3.9Å; L199-V257 HydrophobicContact CD1-CG2 4.05Å; K202-V257 HydrophobicContact CD-CG2 4.48Å; V257-C261 WeakPolarHBondContact O-CB 3.39Å; V257-C261 PolarHBondContact O-N 2.83Å |
| 258 | W | 95.1 | Very high | 92.7 | Very high | 46 Ų | 46 | 46.3 Ų | 46.3 | 17% | 0.174 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.8 | -45.9 | 177.7 | -60.4 | -89.1 | 0 | 0 | 0 | 112.1 | S193 Y195 V198 V241 P242 T245 L256 C261 K262 | S193-W258 PolarHBondContact O-NE1 3.22Å; Y195-W258 HydrophobicContact CD2-CH2 4.2Å; Y195-W258 HydrophobicContact CD2-CZ3 4.43Å; V198-W258 HydrophobicContact CG1-CG 4.32Å; V241-W258 HydrophobicContact CG1-CB 3.98Å; V241-W258 HydrophobicContact CG1-CG 4.45Å; V241-W258 HydrophobicContact CG2-CB 4.4Å; P242-W258 HydrophobicContact CG-CD2 4.29Å; P242-W258 HydrophobicContact CG-CG 4.46Å; P242-W258 HydrophobicContact CG-CZ2 4.21Å; T245-W258 HydrophobicContact CG2-CD2 4.38Å; T245-W258 HydrophobicContact CG2-CE3 3.68Å; T245-W258 HydrophobicContact CG2-CZ3 3.87Å; L256-W258 VanDerWaalsContact C-N 3.29Å; L256-W258 HydrophobicContact CB-CE3 4.25Å; L256-W258 PolarHBondContact O-N 3.31Å; W258-C261 PolarHBondContact O-N 3.22Å; W258-K262 PolarHBondContact O-N 3.05Å |
| 259 | W | 94.9 | Very high | 93 | Very high | 18 Ų | 18 | 43.4 Ų | 43.4 | 7% | 0.068 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.3 | -43.6 | 175.7 | -72.3 | 120 | 0 | 0 | 0 | 111.4 | V241 L256 C261 K262 K263 Y317 V318 A319 V322 | V241-W259 HydrophobicContact CB-CZ2 4.21Å; V241-W259 HydrophobicContact CG1-CZ2 4.44Å; V241-W259 HydrophobicContact CG2-CD2 4.15Å; V241-W259 HydrophobicContact CG2-CE3 4.32Å; V241-W259 HydrophobicContact CG2-CH2 3.92Å; V241-W259 HydrophobicContact CG2-CZ2 3.73Å; V241-W259 HydrophobicContact CG2-CZ3 4.23Å; L256-W259 PolarHBondContact O-N 3.42Å; W259-C261 VanDerWaalsContact C-N 3.32Å; W259-C261 PolarHBondContact O-N 2.9Å; W259-K262 HydrophobicContact CE3-CD 4.08Å; W259-K262 HydrophobicContact CZ3-CD 4.08Å; W259-K262 PolarHBondContact O-N 3.11Å; W259-K263 VanDerWaalsContact O-CB 3.31Å; W259-K263 WeakPolarHBondContact O-CB 3.42Å; W259-K263 PolarHBondContact O-N 2.96Å; W259-Y317 AromaticContact CE2-CD1 3.9Å; W259-Y317 AromaticContact CE2-CE1 3.8Å; W259-Y317 HydrophobicContact CH2-CD1 4.49Å; W259-Y317 VanDerWaalsContact CH2-O 3.32Å; W259-Y317 WeakPolarHBondContact CH2-O 3.36Å; W259-Y317 AromaticContact CZ2-CD1 3.65Å; W259-Y317 HydrophobicContact CZ2-CD1 3.65Å; W259-Y317 HydrophobicContact CZ2-CE1 4.01Å; W259-Y317 WeakPolarHBondContact CZ2-O 3.5Å; W259-Y317 AromaticContact NE1-CD1 3.94Å; W259-Y317 AromaticContact NE1-CE1 3.66Å; W259-V318 HydrophobicContact CH2-CB 4.47Å; W259-V318 HydrophobicContact CZ3-CG1 4.22Å; W259-A319 HydrophobicContact CB-CB 3.99Å; W259-A319 HydrophobicContact CD2-CB 3.63Å; W259-A319 HydrophobicContact CE3-CB 3.56Å; W259-A319 HydrophobicContact CG-CB 3.82Å; W259-A319 HydrophobicContact CZ3-CB 4.27Å; W259-V322 HydrophobicContact CE3-CB 4.48Å; W259-V322 HydrophobicContact CE3-CG2 3.96Å; W259-V322 HydrophobicContact CZ3-CG1 4.32Å; W259-V322 HydrophobicContact CZ3-CG2 4.42Å |
| 260 | K | 94.7 | Very high | 93.3 | Very high | 48 Ų | 48 | 38.9 Ų | 38.9 | 21% | 0.209 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.5 | -40.6 | 173 | -75.1 | 179.1 | 170.4 | 153.7 | 0 | 112.8 | K202 E255 L256 K263 W264 | K202-K260 HydrophobicContact CD-CB 3.84Å; K202-K260 HydrophobicContact CD-CD 4.41Å; K202-K260 HydrophobicContact CG-CB 4.3Å; E255-K260 WeakPolarHBondContact O-CD 3.32Å; E255-K260 WeakPolarHBondContact O-CE 3.14Å; E255-K260 PolarHBondContact O-NZ 3.37Å; E255-K260 WeakPolarHBondContact OE1-CE 3.37Å; E255-K260 IonicContact OE1-NZ 3.83Å; E255-K260 PolarHBondContact OE1-NZ 3.04Å; E255-K260 IonicContact OE2-NZ 2.87Å; E255-K260 PolarHBondContact OE2-NZ 3.34Å; L256-K260 PolarHBondContact O-N 3.14Å; K260-K263 PolarHBondContact O-N 3.45Å; K260-W264 PolarHBondContact O-N 3.12Å |
| 261 | C | 96.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.007 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.2 | -47.7 | 178.6 | -170.4 | 0 | 0 | 0 | 0 | 111.3 | V198 K202 L205 V257 W258 W259 K263 W264 A265 | V198-C261 HydrophobicContact CG1-CB 3.72Å; K202-C261 HydrophobicContact CB-CB 4.31Å; L205-C261 WeakPolarHBondContact CD1-O 3.26Å; V257-C261 WeakPolarHBondContact O-CB 3.39Å; V257-C261 PolarHBondContact O-N 2.83Å; W258-C261 PolarHBondContact O-N 3.22Å; W259-C261 VanDerWaalsContact C-N 3.32Å; W259-C261 PolarHBondContact O-N 2.9Å; C261-K263 PolarHBondContact O-N 2.96Å; C261-W264 PolarHBondContact O-N 2.63Å; C261-A265 PolarHBondContact O-N 3.34Å |
| 262 | K | 96.1 | Very high | 94.4 | Very high | 14 Ų | 14 | 29.7 Ų | 29.7 | 6% | 0.061 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.2 | -46.8 | 172.1 | -80.1 | 174.1 | 171.7 | -88.2 | 0 | 112.1 | I237 R239 V241 W258 W259 W264 A265 L266 V322 | I237-K262 PolarHBondContact O-NZ 3.13Å; R239-K262 WeakPolarHBondContact O-CE 3.33Å; R239-K262 PolarHBondContact O-NZ 3.18Å; V241-K262 HydrophobicContact CG2-CD 3.97Å; W258-K262 PolarHBondContact O-N 3.05Å; W259-K262 HydrophobicContact CE3-CD 4.08Å; W259-K262 HydrophobicContact CZ3-CD 4.08Å; W259-K262 PolarHBondContact O-N 3.11Å; K262-W264 PolarHBondContact O-N 3.46Å; K262-A265 PolarHBondContact O-N 3.27Å; K262-L266 PolarHBondContact O-N 2.96Å; K262-V322 HydrophobicContact CB-CG2 4.08Å |
| 263 | K | 94.9 | Very high | 94.7 | Very high | 54 Ų | 54 | 25 Ų | 25 | 24% | 0.235 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -55.9 | -48.3 | 178.1 | -175.3 | -92.4 | -77.4 | -158.9 | 0 | 111.7 | W259 K260 C261 L266 H267 R321 V322 | W259-K263 VanDerWaalsContact O-CB 3.31Å; W259-K263 WeakPolarHBondContact O-CB 3.42Å; W259-K263 PolarHBondContact O-N 2.96Å; K260-K263 PolarHBondContact O-N 3.45Å; C261-K263 PolarHBondContact O-N 2.96Å; K263-L266 PolarHBondContact O-N 3.44Å; K263-H267 VanDerWaalsContact O-CB 3.22Å; K263-H267 WeakPolarHBondContact O-CB 3.48Å; K263-H267 PolarHBondContact O-N 3.33Å; K263-R321 HydrophobicContact CG-CB 3.83Å; K263-V322 HydrophobicContact CB-CG2 4.1Å |
| 264 | W | 96.8 | Very high | 94.7 | Very high | 35 Ų | 35 | 27.9 Ų | 27.9 | 13% | 0.133 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.4 | -39 | 179.2 | -81 | 109.9 | 0 | 0 | 0 | 112.7 | L205 K206 Y209 K260 C261 K262 H267 I268 | L205-W264 HydrophobicContact CB-CB 3.88Å; L205-W264 HydrophobicContact CD1-CB 4.06Å; K206-W264 HydrophobicContact CD-CZ2 3.98Å; K206-W264 HydrophobicContact CG-CD2 3.78Å; K206-W264 VanDerWaalsContact CG-CE2 3.47Å; K206-W264 HydrophobicContact CG-CE3 4.34Å; K206-W264 HydrophobicContact CG-CG 4.17Å; K206-W264 HydrophobicContact CG-CH2 4.35Å; K206-W264 HydrophobicContact CG-CZ2 3.79Å; Y209-W264 HydrophobicContact CD1-CE3 4.29Å; Y209-W264 HydrophobicContact CD1-CH2 4.21Å; Y209-W264 AromaticContact CD1-CZ3 3.42Å; Y209-W264 HydrophobicContact CD1-CZ3 3.42Å; Y209-W264 VanDerWaalsContact CD1-CZ3 3.42Å; Y209-W264 HydrophobicContact CD2-CE3 4.47Å; Y209-W264 HydrophobicContact CD2-CZ3 4.23Å; Y209-W264 HydrophobicContact CE1-CH2 4.45Å; Y209-W264 AromaticContact CE1-CZ3 3.82Å; Y209-W264 HydrophobicContact CE1-CZ3 3.82Å; Y209-W264 HydrophobicContact CG-CE3 4.04Å; Y209-W264 AromaticContact CG-CZ3 3.62Å; Y209-W264 HydrophobicContact CG-CZ3 3.62Å; K260-W264 PolarHBondContact O-N 3.12Å; C261-W264 PolarHBondContact O-N 2.63Å; K262-W264 PolarHBondContact O-N 3.46Å; W264-H267 AromaticContact CZ3-ND1 3.8Å; W264-H267 PolarHBondContact O-N 2.87Å; W264-I268 WeakPolarHBondContact O-CD1 3.27Å; W264-I268 VanDerWaalsContact O-CG1 3.22Å; W264-I268 WeakPolarHBondContact O-CG1 3.37Å; W264-I268 PolarHBondContact O-N 3.11Å |
| 265 | A | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.1 | -43.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L205 F233 I236 I237 C261 K262 I268 V269 | L205-A265 HydrophobicContact CD1-CB 4.01Å; F233-A265 HydrophobicContact CB-CB 4.49Å; F233-A265 HydrophobicContact CD1-CB 4.4Å; I236-A265 HydrophobicContact CB-CB 4.11Å; I236-A265 HydrophobicContact CG2-CB 3.73Å; I237-A265 HydrophobicContact CD1-CB 4.33Å; I237-A265 HydrophobicContact CG1-CB 3.89Å; C261-A265 PolarHBondContact O-N 3.34Å; K262-A265 PolarHBondContact O-N 3.27Å; A265-I268 PolarHBondContact O-N 3.5Å; A265-V269 PolarHBondContact O-N 3.27Å |
| 266 | L | 95.9 | Very high | 95 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.6 | -45.8 | 175.1 | -77 | 172.6 | 0 | 0 | 0 | 112.7 | I237 K262 K263 I268 V269 A270 L305 V322 Q325 | I237-L266 HydrophobicContact CD1-CD2 3.66Å; I237-L266 HydrophobicContact CD1-CG 4.12Å; I237-L266 HydrophobicContact CG1-CD2 3.92Å; I237-L266 HydrophobicContact CG1-CG 3.97Å; I237-L266 HydrophobicContact CG2-CD2 3.78Å; I237-L266 HydrophobicContact CG2-CG 4.25Å; K262-L266 PolarHBondContact O-N 2.96Å; K263-L266 PolarHBondContact O-N 3.44Å; L266-I268 VanDerWaalsContact C-N 3.26Å; L266-I268 PolarHBondContact O-N 3.13Å; L266-V269 HydrophobicContact CD2-CG2 4.39Å; L266-V269 WeakPolarHBondContact O-CG2 3.27Å; L266-V269 PolarHBondContact O-N 3.28Å; L266-V269 VanDerWaalsContact O-N 3.16Å; L266-A270 WeakPolarHBondContact O-CB 3.32Å; L266-A270 PolarHBondContact O-N 3.05Å; L266-L305 HydrophobicContact CD2-CD2 3.21Å; L266-V322 HydrophobicContact CD1-CB 4.14Å; L266-V322 HydrophobicContact CD1-CG1 3.53Å; L266-V322 HydrophobicContact CD1-CG2 4.32Å; L266-Q325 HydrophobicContact CB-CB 3.85Å |
| 267 | H | 95 | Very high | 95 | Very high | 42 Ų | 42 | 23.1 Ų | 23.1 | 19% | 0.194 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.5 | -38.5 | -179.8 | -168.7 | -165.8 | 0 | 0 | 0 | 111.6 | Y209 K263 W264 R271 Q325 | Y209-H267 AromaticContact CE2-CD2 3.87Å; Y209-H267 AromaticContact CE2-CE1 3.61Å; Y209-H267 AromaticContact CE2-CG 3.78Å; Y209-H267 AromaticContact CE2-ND1 3.61Å; Y209-H267 AromaticContact CE2-NE2 3.74Å; Y209-H267 AromaticContact CZ-CE1 3.27Å; Y209-H267 AromaticContact CZ-ND1 3.65Å; Y209-H267 AromaticContact CZ-NE2 3.63Å; Y209-H267 PolarHBondContact OH-CE1 3.19Å; Y209-H267 PolarHBondContact OH-NE2 3.47Å; K263-H267 VanDerWaalsContact O-CB 3.22Å; K263-H267 WeakPolarHBondContact O-CB 3.48Å; K263-H267 PolarHBondContact O-N 3.33Å; W264-H267 AromaticContact CZ3-ND1 3.8Å; W264-H267 PolarHBondContact O-N 2.87Å; H267-R271 VanDerWaalsContact O-CB 3.3Å; H267-R271 WeakPolarHBondContact O-CB 3.33Å; H267-R271 PolarHBondContact O-N 3.42Å; H267-Q325 PolarHBondContact CD2-OE1 3.34Å |
| 268 | I | 96.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.8 | -51.4 | 173.6 | -66.2 | 159.3 | 0 | 0 | 0 | 110.8 | L205 F208 Y209 F233 W264 A265 L266 A270 R271 L272 | L205-I268 HydrophobicContact CB-CD1 4.01Å; L205-I268 HydrophobicContact CD2-CD1 3.98Å; L205-I268 WeakPolarHBondContact O-CD1 3.41Å; F208-I268 HydrophobicContact CD1-CD1 4.11Å; F208-I268 HydrophobicContact CD1-CG1 4.41Å; F208-I268 HydrophobicContact CD1-CG2 3.79Å; F208-I268 HydrophobicContact CE1-CG2 3.72Å; Y209-I268 HydrophobicContact CD2-CG1 3.78Å; Y209-I268 HydrophobicContact CG-CG1 4.27Å; F233-I268 HydrophobicContact CD2-CG2 4.31Å; F233-I268 HydrophobicContact CE1-CD1 3.86Å; F233-I268 HydrophobicContact CE1-CG2 4.21Å; F233-I268 HydrophobicContact CE2-CG2 3.63Å; F233-I268 HydrophobicContact CZ-CB 4.41Å; F233-I268 HydrophobicContact CZ-CD1 4.2Å; F233-I268 HydrophobicContact CZ-CG2 3.59Å; W264-I268 WeakPolarHBondContact O-CD1 3.27Å; W264-I268 VanDerWaalsContact O-CG1 3.22Å; W264-I268 WeakPolarHBondContact O-CG1 3.37Å; W264-I268 PolarHBondContact O-N 3.11Å; A265-I268 PolarHBondContact O-N 3.5Å; L266-I268 VanDerWaalsContact C-N 3.26Å; L266-I268 PolarHBondContact O-N 3.13Å; I268-A270 VanDerWaalsContact C-N 3.34Å; I268-A270 PolarHBondContact O-N 2.97Å; I268-R271 PolarHBondContact O-N 3.28Å; I268-L272 HydrophobicContact CG2-CD1 3.83Å; I268-L272 HydrophobicContact CG2-CG 4.15Å; I268-L272 WeakPolarHBondContact O-CB 3.29Å; I268-L272 VanDerWaalsContact O-CG 3.26Å; I268-L272 WeakPolarHBondContact O-CG 3.45Å; I268-L272 PolarHBondContact O-N 3.17Å |
| 269 | V | 96.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -68.3 | -33.2 | -176.2 | -61.8 | 0 | 0 | 0 | 0 | 112.8 | M230 F233 I237 A265 L266 F273 I301 Y329 | M230-V269 HydrophobicContact CE-CG1 3.93Å; M230-V269 HydrophobicContact SD-CG1 4.19Å; F233-V269 HydrophobicContact CB-CG1 3.68Å; F233-V269 HydrophobicContact CD2-CG1 3.57Å; F233-V269 HydrophobicContact CG-CG1 3.89Å; I237-V269 HydrophobicContact CD1-CG2 4.03Å; A265-V269 PolarHBondContact O-N 3.27Å; L266-V269 HydrophobicContact CD2-CG2 4.39Å; L266-V269 WeakPolarHBondContact O-CG2 3.27Å; L266-V269 PolarHBondContact O-N 3.28Å; L266-V269 VanDerWaalsContact O-N 3.16Å; V269-F273 WeakPolarHBondContact O-CB 3.36Å; V269-F273 PolarHBondContact O-N 3.28Å; V269-I301 HydrophobicContact CG1-CD1 4.33Å; V269-I301 HydrophobicContact CG2-CG2 4.06Å; V269-Y329 HydrophobicContact CB-CD2 4.38Å; V269-Y329 HydrophobicContact CB-CE2 4.12Å; V269-Y329 HydrophobicContact CG2-CD2 4.05Å; V269-Y329 HydrophobicContact CG2-CE2 4.17Å |
| 270 | A | 94.3 | Very high | 94.1 | Very high | 8 Ų | 8 | 24.2 Ų | 24.2 | 7% | 0.066 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.5 | -50.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | L266 I268 L272 F273 E274 Y329 | L266-A270 WeakPolarHBondContact O-CB 3.32Å; L266-A270 PolarHBondContact O-N 3.05Å; I268-A270 VanDerWaalsContact C-N 3.34Å; I268-A270 PolarHBondContact O-N 2.97Å; A270-L272 VanDerWaalsContact C-N 3.34Å; A270-L272 PolarHBondContact O-N 3.43Å; A270-F273 PolarHBondContact O-N 3.26Å; A270-F273 VanDerWaalsContact O-N 3.15Å; A270-E274 WeakPolarHBondContact O-CB 3.49Å; A270-E274 PolarHBondContact O-N 3.27Å; A270-Y329 HydrophobicContact CB-CD2 4.49Å |
| 271 | R | 94.1 | Very high | 93.6 | Very high | 37 Ų | 37 | 27.5 Ų | 27.5 | 14% | 0.14 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.5 | -39.4 | 177.6 | -171.6 | 57.2 | 167.1 | -173.1 | -5 | 112.7 | Y209 Q213 H267 I268 F273 E274 R275 | Y209-R271 HydrophobicContact CE2-CB 4.31Å; Y209-R271 HydrophobicContact CE2-CG 4.46Å; Q213-R271 PolarHBondContact O-NE 3.35Å; Q213-R271 VanDerWaalsContact O-NE 3.09Å; H267-R271 VanDerWaalsContact O-CB 3.3Å; H267-R271 WeakPolarHBondContact O-CB 3.33Å; H267-R271 PolarHBondContact O-N 3.42Å; I268-R271 PolarHBondContact O-N 3.28Å; R271-F273 VanDerWaalsContact C-N 3.34Å; R271-E274 WeakPolarHBondContact CD-OE2 3.44Å; R271-E274 IonicContact CZ-OE2 3.15Å; R271-E274 IonicContact NE-OE2 2.84Å; R271-E274 IonicContact NH1-OE2 3.47Å; R271-E274 PolarHBondContact NH1-OE2 3.46Å; R271-R275 WeakPolarHBondContact O-CB 3.28Å; R271-R275 PolarHBondContact O-N 3.35Å |
| 272 | L | 95.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.4 | -41.6 | 175.2 | -74 | 177.2 | 0 | 0 | 0 | 111.4 | V212 L216 M226 M230 F233 I268 A270 Y276 G277 F293 | V212-L272 HydrophobicContact CG2-CD2 4.34Å; L216-L272 HydrophobicContact CD1-CD2 4.37Å; M226-L272 HydrophobicContact CE-CD1 4.03Å; M226-L272 HydrophobicContact CE-CD2 3.98Å; M226-L272 HydrophobicContact SD-CD1 4.02Å; M230-L272 HydrophobicContact SD-CD1 4.14Å; F233-L272 HydrophobicContact CE2-CD1 4.28Å; I268-L272 HydrophobicContact CG2-CD1 3.83Å; I268-L272 HydrophobicContact CG2-CG 4.15Å; I268-L272 WeakPolarHBondContact O-CB 3.29Å; I268-L272 VanDerWaalsContact O-CG 3.26Å; I268-L272 WeakPolarHBondContact O-CG 3.45Å; I268-L272 PolarHBondContact O-N 3.17Å; A270-L272 VanDerWaalsContact C-N 3.34Å; A270-L272 PolarHBondContact O-N 3.43Å; L272-Y276 HydrophobicContact CD2-CD2 3.89Å; L272-Y276 HydrophobicContact CD2-CE2 4.45Å; L272-Y276 CarbonylContact O-C 3.42Å; L272-Y276 WeakPolarHBondContact O-CA 3.36Å; L272-Y276 PolarHBondContact O-N 3.08Å; L272-Y276 VanDerWaalsContact O-N 3.08Å; L272-G277 WeakPolarHBondContact O-CA 3.42Å; L272-G277 PolarHBondContact O-N 3.21Å; L272-F293 HydrophobicContact CB-CE2 3.99Å; L272-F293 HydrophobicContact CB-CZ 4.36Å |
| 273 | F | 95.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -70.5 | -45.2 | -179.7 | -166.7 | -172.3 | 0 | 0 | 0 | 112 | V269 A270 R271 G277 S278 F293 L294 A298 Y329 Q332 H336 T339 | V269-F273 WeakPolarHBondContact O-CB 3.36Å; V269-F273 PolarHBondContact O-N 3.28Å; A270-F273 PolarHBondContact O-N 3.26Å; A270-F273 VanDerWaalsContact O-N 3.15Å; R271-F273 VanDerWaalsContact C-N 3.34Å; F273-G277 CarbonylContact O-C 3.59Å; F273-G277 WeakPolarHBondContact O-CA 3.33Å; F273-G277 PolarHBondContact O-N 3.2Å; F273-S278 PolarHBondContact O-N 2.94Å; F273-S278 PolarHBondContact O-OG 3.29Å; F273-F293 HydrophobicContact CB-CE1 3.71Å; F273-F293 HydrophobicContact CB-CZ 3.9Å; F273-F293 HydrophobicContact CD2-CD1 4.1Å; F273-F293 AromaticContact CD2-CE1 3.58Å; F273-F293 HydrophobicContact CD2-CE1 3.58Å; F273-F293 HydrophobicContact CE2-CE1 4.33Å; F273-F293 AromaticContact CG-CE1 3.7Å; F273-F293 HydrophobicContact CG-CE1 3.7Å; F273-F293 HydrophobicContact CG-CZ 4.35Å; F273-L294 HydrophobicContact CE2-CD1 3.94Å; F273-L294 HydrophobicContact CZ-CD1 4.01Å; F273-A298 HydrophobicContact CZ-CB 4.34Å; F273-Y329 HydrophobicContact CB-CD2 4.34Å; F273-Y329 HydrophobicContact CB-CE2 3.98Å; F273-Y329 HydrophobicContact CD1-CD1 4.2Å; F273-Y329 HydrophobicContact CD1-CD2 4.05Å; F273-Y329 AromaticContact CD1-CE1 3.88Å; F273-Y329 HydrophobicContact CD1-CE1 3.88Å; F273-Y329 AromaticContact CD1-CE2 3.69Å; F273-Y329 HydrophobicContact CD1-CE2 3.69Å; F273-Y329 HydrophobicContact CD1-CG 4.28Å; F273-Y329 AromaticContact CD1-CZ 3.59Å; F273-Y329 HydrophobicContact CE1-CD1 4.49Å; F273-Y329 HydrophobicContact CE1-CE1 4.04Å; F273-Y329 HydrophobicContact CG-CE2 4.24Å; F273-Q332 HydrophobicContact CD1-CB 3.76Å; F273-Q332 HydrophobicContact CE1-CB 3.9Å; F273-Q332 HydrophobicContact CG-CB 4.15Å; F273-Q332 HydrophobicContact CZ-CB 4.38Å; F273-H336 AromaticContact CE2-CD2 3.68Å; F273-H336 AromaticContact CE2-NE2 3.91Å; F273-H336 AromaticContact CZ-CD2 3.64Å; F273-T339 HydrophobicContact CZ-CG2 4.41Å |
| 274 | E | 92.3 | Very high | 92.5 | Very high | 85 Ų | 85 | 38.1 Ų | 38.1 | 40% | 0.397 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -59 | -57.3 | 177 | 172.5 | -179.7 | -108.5 | 0 | 0 | 112 | A270 R271 Q332 | A270-E274 WeakPolarHBondContact O-CB 3.49Å; A270-E274 PolarHBondContact O-N 3.27Å; R271-E274 WeakPolarHBondContact CD-OE2 3.44Å; R271-E274 IonicContact CZ-OE2 3.15Å; R271-E274 IonicContact NE-OE2 2.84Å; R271-E274 IonicContact NH1-OE2 3.47Å; R271-E274 PolarHBondContact NH1-OE2 3.46Å; E274-Q332 HydrophobicContact CB-CG 4.33Å |
| 275 | R | 91.9 | Very high | 92.1 | Very high | 88 Ų | 88 | 42.5 Ų | 42.5 | 33% | 0.332 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -90 | -26.6 | -167.6 | -166 | 170.2 | 178.2 | 144.7 | 3.1 | 114.6 | Q213 Y214 R271 | Q213-R275 PolarHBondContact O-NH1 3.13Å; Y214-R275 PolarHBondContact O-NE 2.75Å; Y214-R275 PolarHBondContact O-NH2 3.47Å; R271-R275 WeakPolarHBondContact O-CB 3.28Å; R271-R275 PolarHBondContact O-N 3.35Å |
| 276 | Y | 93.9 | Very high | 91.8 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.008 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -131.1 | -14 | -171.8 | -48.6 | -63.7 | 0 | 0 | 0 | 113.9 | V212 Y214 A215 L216 L272 Y286 F289 S290 | V212-Y276 VanDerWaalsContact O-CE2 3.32Å; V212-Y276 WeakPolarHBondContact O-CE2 3.36Å; V212-Y276 PolarHBondContact O-OH 3.5Å; V212-Y276 VanDerWaalsContact O-OH 3.11Å; Y214-Y276 PolarHBondContact O-OH 3.21Å; A215-Y276 VanDerWaalsContact CA-OH 3.24Å; A215-Y276 WeakPolarHBondContact CA-OH 3.36Å; A215-Y276 PolarHBondContact N-OH 3.19Å; A215-Y276 VanDerWaalsContact N-OH 3.09Å; L216-Y276 HydrophobicContact CB-CD1 3.92Å; L216-Y276 HydrophobicContact CB-CD2 3.96Å; L216-Y276 HydrophobicContact CB-CE1 3.79Å; L216-Y276 HydrophobicContact CB-CE2 3.84Å; L216-Y276 HydrophobicContact CB-CG 4.01Å; L216-Y276 HydrophobicContact CD2-CD1 4.45Å; L216-Y276 HydrophobicContact CD2-CD2 4.16Å; L216-Y276 HydrophobicContact CD2-CG 3.96Å; L216-Y276 PolarHBondContact N-OH 2.98Å; L272-Y276 HydrophobicContact CD2-CD2 3.89Å; L272-Y276 HydrophobicContact CD2-CE2 4.45Å; L272-Y276 CarbonylContact O-C 3.42Å; L272-Y276 WeakPolarHBondContact O-CA 3.36Å; L272-Y276 PolarHBondContact O-N 3.08Å; L272-Y276 VanDerWaalsContact O-N 3.08Å; Y276-Y286 HydrophobicContact CD1-CD1 4.08Å; Y276-Y286 AromaticContact CD1-CD2 3.59Å; Y276-Y286 HydrophobicContact CD1-CD2 3.59Å; Y276-Y286 HydrophobicContact CD1-CE1 4.1Å; Y276-Y286 AromaticContact CD1-CE2 3.6Å; Y276-Y286 HydrophobicContact CD1-CE2 3.6Å; Y276-Y286 AromaticContact CD1-CG 3.86Å; Y276-Y286 HydrophobicContact CD1-CG 3.86Å; Y276-Y286 AromaticContact CD1-CZ 3.86Å; Y276-Y286 HydrophobicContact CE1-CD2 4Å; Y276-Y286 HydrophobicContact CE1-CE1 4.33Å; Y276-Y286 AromaticContact CE1-CE2 3.51Å; Y276-Y286 HydrophobicContact CE1-CE2 3.51Å; Y276-Y286 AromaticContact CE1-CZ 3.71Å; Y276-F289 WeakPolarHBondContact O-CD1 3.42Å; Y276-S290 VanDerWaalsContact O-CA 3.25Å; Y276-S290 WeakPolarHBondContact O-CA 3.31Å; Y276-S290 WeakPolarHBondContact O-CB 3.35Å |
| 277 | G | 92.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -107.3 | 0.8 | -167.3 | 0 | 0 | 0 | 0 | 0 | 115 | L272 F273 P279 | L272-G277 WeakPolarHBondContact O-CA 3.42Å; L272-G277 PolarHBondContact O-N 3.21Å; F273-G277 CarbonylContact O-C 3.59Å; F273-G277 WeakPolarHBondContact O-CA 3.33Å; F273-G277 PolarHBondContact O-N 3.2Å; G277-P279 WeakPolarHBondContact O-CD 3.15Å |
| 278 | S | 91.6 | Very high | 91.4 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.007 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -110.8 | 97.5 | -175.1 | -70.6 | 0 | 0 | 0 | 0 | 111.3 | F273 G280 N281 V282 H336 | F273-S278 PolarHBondContact O-N 2.94Å; F273-S278 PolarHBondContact O-OG 3.29Å; S278-G280 PolarHBondContact O-N 2.98Å; S278-N281 PolarHBondContact O-N 3.35Å; S278-N281 VanDerWaalsContact O-N 3.08Å; S278-V282 WeakPolarHBondContact O-CG1 3.44Å; S278-H336 WeakPolarHBondContact CB-NE2 3.28Å; S278-H336 PolarHBondContact OG-NE2 3.19Å |
| 279 | P | 89.6 | Confident | 91.2 | Very high | 24 Ų | 24 | 54.1 Ų | 54.1 | 16% | 0.156 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 135.5 | 175.5 | -23.4 | 32.9 | 0 | 0 | 0 | 111.2 | G277 E291 L294 | G277-P279 WeakPolarHBondContact O-CD 3.15Å; P279-E291 VanDerWaalsContact CB-OE1 3.25Å; P279-E291 WeakPolarHBondContact CB-OE1 3.31Å; P279-E291 HydrophobicContact CG-CG 4.34Å; P279-E291 WeakPolarHBondContact CG-OE1 3.39Å; P279-L294 HydrophobicContact CG-CB 4.36Å; P279-L294 HydrophobicContact CG-CD2 3.9Å |
| 280 | G | 83.8 | Confident | 91.1 | Very high | 66 Ų | 66 | 54.1 Ų | 54.1 | 68% | 0.68 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.1 | -25.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | S278 | S278-G280 PolarHBondContact O-N 2.98Š|
| 281 | N | 83.9 | Confident | 91 | Very high | 117 Ų | 117 | 55.8 Ų | 55.8 | 63% | 0.626 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -114.8 | 21.7 | -177.3 | -63.9 | -1.2 | 0 | 0 | 0 | 112.7 | S278 | S278-N281 PolarHBondContact O-N 3.35Å; S278-N281 VanDerWaalsContact O-N 3.08Å |
| 282 | V | 88.9 | Confident | 91 | Very high | 28 Ų | 28 | 57 Ų | 57 | 17% | 0.17 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -123.3 | 152.3 | -177.7 | -63.7 | 0 | 0 | 0 | 0 | 111.6 | S278 | S278-V282 WeakPolarHBondContact O-CG1 3.44Š|
| 283 | T | 87.6 | Confident | 90.9 | Very high | 79 Ų | 79 | 56.9 Ų | 56.9 | 49% | 0.485 | 29% | 0.287 | S | S | . | . | trans | -62.4 | 157.2 | 171.4 | 58.2 | 0 | 0 | 0 | 0 | 111.1 | E285 Y286 | T283-E285 PolarHBondContact O-N 3.16Å; T283-E285 VanDerWaalsContact OG1-CG 3.24Å; T283-E285 WeakPolarHBondContact OG1-CG 3.49Å; T283-E285 PolarHBondContact OG1-OE1 3.1Å; T283-Y286 PolarHBondContact O-N 3.47Å; T283-Y286 WeakPolarHBondContact OG1-CD2 3.35Å | ||
| 284 | K | 88.1 | Confident | 90.9 | Very high | 185 Ų | 185 | 57.5 Ų | 57.5 | 80% | 0.804 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -53.8 | -32.6 | -174.4 | -68.9 | 179.8 | -179.2 | 171.7 | 0 | 113.7 | Y286 | K284-Y286 VanDerWaalsContact C-N 3.32Å; K284-Y286 PolarHBondContact O-N 2.9Å |
| 285 | E | 87.6 | Confident | 90.9 | Very high | 128 Ų | 128 | 59.2 Ų | 59.2 | 60% | 0.598 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -67.2 | -26.7 | 179.1 | 56.9 | 179.4 | 175.2 | 0 | 0 | 114 | L218 T283 | L218-E285 WeakPolarHBondContact CD1-O 3.5Å; T283-E285 PolarHBondContact O-N 3.16Å; T283-E285 VanDerWaalsContact OG1-CG 3.24Å; T283-E285 WeakPolarHBondContact OG1-CG 3.49Å; T283-E285 PolarHBondContact OG1-OE1 3.1Å |
| 286 | Y | 91.6 | Very high | 91 | Very high | 18 Ų | 18 | 58.5 Ų | 58.5 | 7% | 0.071 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -100.5 | -2.7 | -176.3 | -63.4 | -54 | 0 | 0 | 0 | 114 | L216 L218 Y276 T283 K284 E288 F289 S290 | L216-Y286 HydrophobicContact CB-CE1 3.73Å; L216-Y286 HydrophobicContact CD2-CD1 4.48Å; L216-Y286 HydrophobicContact CD2-CE1 4.41Å; L216-Y286 HydrophobicContact CG-CE1 4.36Å; L216-Y286 PolarHBondContact N-OH 3.32Å; L216-Y286 WeakPolarHBondContact O-CE1 3.27Å; L216-Y286 PolarHBondContact O-OH 3.17Å; L216-Y286 VanDerWaalsContact O-OH 3.09Å; L218-Y286 HydrophobicContact CD1-CD1 3.87Å; L218-Y286 HydrophobicContact CD1-CE1 4.02Å; L218-Y286 HydrophobicContact CD2-CD1 4.2Å; L218-Y286 HydrophobicContact CD2-CE1 4.31Å; L218-Y286 HydrophobicContact CG-CD1 4.1Å; L218-Y286 HydrophobicContact CG-CE1 3.92Å; Y276-Y286 HydrophobicContact CD1-CD1 4.08Å; Y276-Y286 AromaticContact CD1-CD2 3.59Å; Y276-Y286 HydrophobicContact CD1-CD2 3.59Å; Y276-Y286 HydrophobicContact CD1-CE1 4.1Å; Y276-Y286 AromaticContact CD1-CE2 3.6Å; Y276-Y286 HydrophobicContact CD1-CE2 3.6Å; Y276-Y286 AromaticContact CD1-CG 3.86Å; Y276-Y286 HydrophobicContact CD1-CG 3.86Å; Y276-Y286 AromaticContact CD1-CZ 3.86Å; Y276-Y286 HydrophobicContact CE1-CD2 4Å; Y276-Y286 HydrophobicContact CE1-CE1 4.33Å; Y276-Y286 AromaticContact CE1-CE2 3.51Å; Y276-Y286 HydrophobicContact CE1-CE2 3.51Å; Y276-Y286 AromaticContact CE1-CZ 3.71Å; T283-Y286 PolarHBondContact O-N 3.47Å; T283-Y286 WeakPolarHBondContact OG1-CD2 3.35Å; K284-Y286 VanDerWaalsContact C-N 3.32Å; K284-Y286 PolarHBondContact O-N 2.9Å; Y286-E288 PolarHBondContact O-N 2.74Å; Y286-F289 CarbonylContact O-C 3.43Å; Y286-F289 WeakPolarHBondContact O-CA 3.46Å; Y286-F289 WeakPolarHBondContact O-CB 3.33Å; Y286-F289 PolarHBondContact O-N 3.42Å; Y286-S290 PolarHBondContact O-N 3.13Å |
| 287 | F | 91.4 | Very high | 91 | Very high | 96 Ų | 96 | 59.1 Ų | 59.1 | 42% | 0.421 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -57.5 | -44.9 | -173.9 | -175.9 | -96.3 | 0 | 0 | 0 | 114 | F289 S290 E291 | F287-F289 VanDerWaalsContact C-N 3.3Å; F287-F289 PolarHBondContact O-N 2.88Å; F287-S290 PolarHBondContact O-N 3.21Å; F287-S290 PolarHBondContact O-OG 3Å; F287-E291 HydrophobicContact CE1-CG 4.33Å; F287-E291 HydrophobicContact CZ-CG 4.38Å; F287-E291 PolarHBondContact O-N 3.34Å |
| 288 | E | 91.3 | Very high | 91.1 | Very high | 167 Ų | 167 | 59.1 Ų | 59.1 | 78% | 0.78 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -65.9 | -37.2 | 177.4 | -65.7 | -172 | 172.1 | 0 | 0 | 111.8 | Y286 F292 | Y286-E288 PolarHBondContact O-N 2.74Å; E288-F292 WeakPolarHBondContact O-CB 3.45Å; E288-F292 PolarHBondContact O-N 3.43Å |
| 289 | F | 93.3 | Very high | 91.2 | Very high | 6 Ų | 6 | 60.5 Ų | 60.5 | 3% | 0.026 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.9 | -42.4 | 177.1 | 177.3 | -93 | 0 | 0 | 0 | 111.3 | L216 L218 M226 Y276 Y286 F287 E291 F292 F293 | L216-F289 HydrophobicContact CD2-CD1 3.87Å; L216-F289 HydrophobicContact CD2-CD2 4.41Å; L216-F289 HydrophobicContact CD2-CE1 3.63Å; L216-F289 HydrophobicContact CD2-CE2 4.19Å; L216-F289 HydrophobicContact CD2-CG 4.27Å; L216-F289 HydrophobicContact CD2-CZ 3.81Å; L218-F289 HydrophobicContact CD2-CB 4.13Å; L218-F289 HydrophobicContact CD2-CD2 4.07Å; L218-F289 HydrophobicContact CD2-CG 4.11Å; M226-F289 HydrophobicContact CB-CE2 4.27Å; M226-F289 HydrophobicContact CE-CE2 3.93Å; M226-F289 HydrophobicContact CE-CZ 3.59Å; M226-F289 HydrophobicContact CG-CE2 3.88Å; M226-F289 HydrophobicContact CG-CZ 4Å; M226-F289 HydrophobicContact SD-CZ 4.5Å; Y276-F289 WeakPolarHBondContact O-CD1 3.42Å; Y286-F289 CarbonylContact O-C 3.43Å; Y286-F289 WeakPolarHBondContact O-CA 3.46Å; Y286-F289 WeakPolarHBondContact O-CB 3.33Å; Y286-F289 PolarHBondContact O-N 3.42Å; F287-F289 VanDerWaalsContact C-N 3.3Å; F287-F289 PolarHBondContact O-N 2.88Å; F289-E291 PolarHBondContact O-N 3.46Å; F289-F292 PolarHBondContact O-N 2.98Å; F289-F293 HydrophobicContact CE1-CB 4.2Å; F289-F293 HydrophobicContact CE1-CD2 4.22Å; F289-F293 HydrophobicContact CZ-CB 4.46Å; F289-F293 HydrophobicContact CZ-CD2 4.13Å; F289-F293 VanDerWaalsContact O-CB 3.32Å; F289-F293 WeakPolarHBondContact O-CB 3.35Å; F289-F293 PolarHBondContact O-N 3.21Å |
| 290 | S | 94 | Very high | 91.5 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.7 | -43.4 | -179.8 | 64 | 0 | 0 | 0 | 0 | 112 | Y276 Y286 F287 F292 F293 L294 | Y276-S290 VanDerWaalsContact O-CA 3.25Å; Y276-S290 WeakPolarHBondContact O-CA 3.31Å; Y276-S290 WeakPolarHBondContact O-CB 3.35Å; Y286-S290 PolarHBondContact O-N 3.13Å; F287-S290 PolarHBondContact O-N 3.21Å; F287-S290 PolarHBondContact O-OG 3Å; S290-F292 VanDerWaalsContact C-N 3.33Å; S290-F292 PolarHBondContact O-N 2.88Å; S290-F293 PolarHBondContact O-N 2.85Å; S290-L294 WeakPolarHBondContact O-CB 3.28Å; S290-L294 PolarHBondContact O-N 3.23Å |
| 291 | E | 93.2 | Very high | 92 | Very high | 43 Ų | 43 | 57 Ų | 57 | 20% | 0.201 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.9 | -44 | 176.2 | -83.6 | -68.7 | 116.3 | 0 | 0 | 111.8 | P279 F287 F289 K295 | P279-E291 VanDerWaalsContact CB-OE1 3.25Å; P279-E291 WeakPolarHBondContact CB-OE1 3.31Å; P279-E291 HydrophobicContact CG-CG 4.34Å; P279-E291 WeakPolarHBondContact CG-OE1 3.39Å; F287-E291 HydrophobicContact CE1-CG 4.33Å; F287-E291 HydrophobicContact CZ-CG 4.38Å; F287-E291 PolarHBondContact O-N 3.34Å; F289-E291 PolarHBondContact O-N 3.46Å; E291-K295 WeakPolarHBondContact O-CB 3.47Å; E291-K295 WeakPolarHBondContact O-CG 3.35Å; E291-K295 PolarHBondContact O-N 2.89Å; E291-K295 WeakPolarHBondContact OE2-CE 3.42Å; E291-K295 IonicContact OE2-NZ 3.5Å; E291-K295 PolarHBondContact OE2-NZ 3.43Å |
| 292 | F | 93.1 | Very high | 92.5 | Very high | 62 Ų | 62 | 51.5 Ų | 51.5 | 27% | 0.272 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -68.3 | -41.4 | 178.2 | -178.7 | -110.4 | 0 | 0 | 0 | 112.1 | N223 E288 F289 S290 T296 Y297 | N223-F292 HydrophobicContact CB-CD1 3.97Å; N223-F292 HydrophobicContact CB-CE1 3.5Å; N223-F292 VanDerWaalsContact CB-CE1 3.5Å; N223-F292 HydrophobicContact CB-CZ 4.06Å; N223-F292 VanDerWaalsContact CG-CD1 3.45Å; N223-F292 WeakPolarHBondContact OD1-CD1 3.33Å; E288-F292 WeakPolarHBondContact O-CB 3.45Å; E288-F292 PolarHBondContact O-N 3.43Å; F289-F292 PolarHBondContact O-N 2.98Å; S290-F292 VanDerWaalsContact C-N 3.33Å; S290-F292 PolarHBondContact O-N 2.88Å; F292-T296 WeakPolarHBondContact CD2-OG1 3.35Å; F292-T296 HydrophobicContact CE2-CG2 4.36Å; F292-T296 VanDerWaalsContact CE2-OG1 3.28Å; F292-T296 WeakPolarHBondContact CE2-OG1 3.37Å; F292-T296 HydrophobicContact CZ-CG2 4.19Å; F292-T296 WeakPolarHBondContact O-CB 2.98Å; F292-T296 PolarHBondContact O-N 3.17Å; F292-T296 PolarHBondContact O-OG1 3.23Å; F292-Y297 HydrophobicContact CD1-CE2 4.15Å; F292-Y297 AromaticContact CE1-CE2 3.93Å; F292-Y297 HydrophobicContact CE1-CE2 3.93Å; F292-Y297 AromaticContact CE1-CZ 3.69Å; F292-Y297 WeakPolarHBondContact CE1-OH 3.41Å |
| 293 | F | 94.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.4 | -50.5 | 178.1 | 178.3 | -82.3 | 0 | 0 | 0 | 111.3 | M230 L272 F273 F289 S290 K295 T296 Y297 A298 | M230-F293 HydrophobicContact CE-CE2 3.72Å; M230-F293 HydrophobicContact CE-CZ 4.09Å; M230-F293 HydrophobicContact SD-CE2 4.09Å; L272-F293 HydrophobicContact CB-CE2 3.99Å; L272-F293 HydrophobicContact CB-CZ 4.36Å; F273-F293 HydrophobicContact CB-CE1 3.71Å; F273-F293 HydrophobicContact CB-CZ 3.9Å; F273-F293 HydrophobicContact CD2-CD1 4.1Å; F273-F293 AromaticContact CD2-CE1 3.58Å; F273-F293 HydrophobicContact CD2-CE1 3.58Å; F273-F293 HydrophobicContact CE2-CE1 4.33Å; F273-F293 AromaticContact CG-CE1 3.7Å; F273-F293 HydrophobicContact CG-CE1 3.7Å; F273-F293 HydrophobicContact CG-CZ 4.35Å; F289-F293 HydrophobicContact CE1-CB 4.2Å; F289-F293 HydrophobicContact CE1-CD2 4.22Å; F289-F293 HydrophobicContact CZ-CB 4.46Å; F289-F293 HydrophobicContact CZ-CD2 4.13Å; F289-F293 VanDerWaalsContact O-CB 3.32Å; F289-F293 WeakPolarHBondContact O-CB 3.35Å; F289-F293 PolarHBondContact O-N 3.21Å; S290-F293 PolarHBondContact O-N 2.85Å; F293-K295 PolarHBondContact O-N 3.3Å; F293-T296 PolarHBondContact O-N 2.95Å; F293-Y297 HydrophobicContact CB-CD2 4.28Å; F293-Y297 AromaticContact CD2-CD2 3.71Å; F293-Y297 HydrophobicContact CD2-CD2 3.71Å; F293-Y297 HydrophobicContact CD2-CE2 4.49Å; F293-Y297 HydrophobicContact CE2-CD2 4.33Å; F293-Y297 HydrophobicContact CG-CD2 4.15Å; F293-Y297 PolarHBondContact O-N 3Å; F293-A298 HydrophobicContact CE1-CB 4.43Å; F293-A298 PolarHBondContact O-N 3.37Å |
| 294 | L | 94.3 | Very high | 93.2 | Very high | 12 Ų | 12 | 51.1 Ų | 51.1 | 6% | 0.063 | 24% | 0.242 | C | C | . | . | I | π-helix | trans | -61.2 | -44.9 | -177.9 | -177.8 | 65.3 | 0 | 0 | 0 | 111.6 | F273 P279 S290 A298 H336 I338 T339 | F273-L294 HydrophobicContact CE2-CD1 3.94Å; F273-L294 HydrophobicContact CZ-CD1 4.01Å; P279-L294 HydrophobicContact CG-CB 4.36Å; P279-L294 HydrophobicContact CG-CD2 3.9Å; S290-L294 WeakPolarHBondContact O-CB 3.28Å; S290-L294 PolarHBondContact O-N 3.23Å; L294-A298 HydrophobicContact CD1-CB 3.98Å; L294-A298 WeakPolarHBondContact O-CB 3.45Å; L294-H336 HydrophobicContact CD1-CB 3.76Å; L294-H336 HydrophobicContact CD2-CB 4.07Å; L294-I338 HydrophobicContact CD2-CD1 4.49Å; L294-I338 HydrophobicContact CG-CD1 4.44Å; L294-T339 HydrophobicContact CD1-CG2 4.21Å |
| 295 | K | 93.1 | Very high | 93.5 | Very high | 122 Ų | 122 | 42.3 Ų | 42.3 | 53% | 0.53 | 20% | 0.204 | S | C | . | . | I | π-helix | trans | -72.2 | -34.7 | -178.5 | -72.9 | 170 | 176.5 | 156.7 | 0 | 113.4 | E291 F293 I338 | E291-K295 WeakPolarHBondContact O-CB 3.47Å; E291-K295 WeakPolarHBondContact O-CG 3.35Å; E291-K295 PolarHBondContact O-N 2.89Å; E291-K295 WeakPolarHBondContact OE2-CE 3.42Å; E291-K295 IonicContact OE2-NZ 3.5Å; E291-K295 PolarHBondContact OE2-NZ 3.43Å; F293-K295 PolarHBondContact O-N 3.3Å; K295-I338 HydrophobicContact CG-CD1 4Å |
| 296 | T | 93.8 | Very high | 93.8 | Very high | 72 Ų | 72 | 37.6 Ų | 37.6 | 44% | 0.442 | 18% | 0.183 | S | C | . | . | I | π-helix | trans | -97.4 | -41.1 | -168.9 | -45.9 | 0 | 0 | 0 | 0 | 112.9 | F292 F293 | F292-T296 WeakPolarHBondContact CD2-OG1 3.35Å; F292-T296 HydrophobicContact CE2-CG2 4.36Å; F292-T296 VanDerWaalsContact CE2-OG1 3.28Å; F292-T296 WeakPolarHBondContact CE2-OG1 3.37Å; F292-T296 HydrophobicContact CZ-CG2 4.19Å; F292-T296 WeakPolarHBondContact O-CB 2.98Å; F292-T296 PolarHBondContact O-N 3.17Å; F292-T296 PolarHBondContact O-OG1 3.23Å; F293-T296 PolarHBondContact O-N 2.95Å |
| 297 | Y | 94.4 | Very high | 93.9 | Very high | 15 Ų | 15 | 41 Ų | 41 | 6% | 0.059 | 20% | 0.198 | C | C | . | . | I | π-helix | trans | -112.7 | -34.1 | -165.9 | -49.7 | -48.9 | 0 | 0 | 0 | 113.7 | N223 M226 T227 M230 F292 F293 V299 G300 I301 | N223-Y297 PolarHBondContact O-OH 3.33Å; M226-Y297 HydrophobicContact CG-CE2 4.08Å; T227-Y297 VanDerWaalsContact CA-OH 3.27Å; T227-Y297 WeakPolarHBondContact CA-OH 3.31Å; T227-Y297 WeakPolarHBondContact CB-OH 3.39Å; T227-Y297 HydrophobicContact CG2-CE1 4.27Å; T227-Y297 PolarHBondContact N-OH 3.47Å; T227-Y297 PolarHBondContact OG1-OH 2.96Å; M230-Y297 HydrophobicContact CB-CD1 3.95Å; M230-Y297 HydrophobicContact CB-CE1 4.23Å; M230-Y297 HydrophobicContact CB-CG 4.15Å; M230-Y297 HydrophobicContact CE-CG 4.22Å; M230-Y297 HydrophobicContact CG-CD1 4.01Å; M230-Y297 HydrophobicContact CG-CD2 3.78Å; M230-Y297 HydrophobicContact CG-CE1 4.25Å; M230-Y297 HydrophobicContact CG-CE2 4.04Å; M230-Y297 HydrophobicContact CG-CG 3.76Å; F292-Y297 HydrophobicContact CD1-CE2 4.15Å; F292-Y297 AromaticContact CE1-CE2 3.93Å; F292-Y297 HydrophobicContact CE1-CE2 3.93Å; F292-Y297 AromaticContact CE1-CZ 3.69Å; F292-Y297 WeakPolarHBondContact CE1-OH 3.41Å; F293-Y297 HydrophobicContact CB-CD2 4.28Å; F293-Y297 AromaticContact CD2-CD2 3.71Å; F293-Y297 HydrophobicContact CD2-CD2 3.71Å; F293-Y297 HydrophobicContact CD2-CE2 4.49Å; F293-Y297 HydrophobicContact CE2-CD2 4.33Å; F293-Y297 HydrophobicContact CG-CD2 4.15Å; F293-Y297 PolarHBondContact O-N 3Å; Y297-V299 VanDerWaalsContact C-N 3.33Å; Y297-V299 PolarHBondContact O-N 3.39Å; Y297-G300 PolarHBondContact O-N 2.85Å; Y297-I301 PolarHBondContact O-N 3.18Å |
| 298 | A | 94.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | I | π-helix | trans | -58.4 | -44.6 | -164.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | F273 F293 L294 Q302 Y329 T339 | F273-A298 HydrophobicContact CZ-CB 4.34Å; F293-A298 HydrophobicContact CE1-CB 4.43Å; F293-A298 PolarHBondContact O-N 3.37Å; L294-A298 HydrophobicContact CD1-CB 3.98Å; L294-A298 WeakPolarHBondContact O-CB 3.45Å; A298-Q302 WeakPolarHBondContact O-CB 3.18Å; A298-Q302 PolarHBondContact O-N 3.49Å; A298-Y329 VanDerWaalsContact CA-OH 3.24Å; A298-Y329 WeakPolarHBondContact CA-OH 3.29Å; A298-Y329 PolarHBondContact O-OH 3.48Å; A298-Y329 VanDerWaalsContact O-OH 3.08Å; A298-T339 HydrophobicContact CB-CG2 3.68Å |
| 299 | V | 93.9 | Very high | 94.3 | Very high | 31 Ų | 31 | 28.9 Ų | 28.9 | 19% | 0.188 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.4 | -39.9 | 178.4 | 172.7 | 0 | 0 | 0 | 0 | 112.4 | Y297 I301 Q302 Q303 I338 T339 Q342 | Y297-V299 VanDerWaalsContact C-N 3.33Å; Y297-V299 PolarHBondContact O-N 3.39Å; V299-I301 PolarHBondContact O-N 3.22Å; V299-Q302 WeakPolarHBondContact O-CB 3.2Å; V299-Q302 PolarHBondContact O-N 2.96Å; V299-Q303 WeakPolarHBondContact O-CG 3.34Å; V299-Q303 PolarHBondContact O-N 3.41Å; V299-I338 HydrophobicContact CG2-CG2 3.77Å; V299-T339 HydrophobicContact CG2-CG2 4.49Å; V299-Q342 HydrophobicContact CG1-CG 3.84Å; V299-Q342 HydrophobicContact CG2-CG 4.25Å |
| 300 | G | 94.2 | Very high | 94.2 | Very high | 13 Ų | 13 | 31.1 Ų | 31.1 | 13% | 0.134 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66 | -38.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y297 | Y297-G300 PolarHBondContact O-N 2.85Å |
| 301 | I | 95.9 | Very high | 94.2 | Very high | 4 Ų | 4 | 33.2 Ų | 33.2 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -69 | -47.1 | 172.8 | -62.5 | -61.1 | 0 | 0 | 0 | 110.2 | M230 R234 I237 V269 Y297 V299 Q303 V304 L305 Y329 | M230-I301 HydrophobicContact CE-CD1 4.14Å; M230-I301 HydrophobicContact CE-CG1 3.75Å; R234-I301 HydrophobicContact CB-CD1 3.81Å; R234-I301 HydrophobicContact CG-CD1 4.3Å; I237-I301 HydrophobicContact CD1-CD1 4.5Å; V269-I301 HydrophobicContact CG1-CD1 4.33Å; V269-I301 HydrophobicContact CG2-CG2 4.06Å; Y297-I301 PolarHBondContact O-N 3.18Å; V299-I301 PolarHBondContact O-N 3.22Å; I301-Q303 VanDerWaalsContact C-N 3.27Å; I301-Q303 PolarHBondContact O-N 2.71Å; I301-V304 WeakPolarHBondContact O-CB 3.29Å; I301-V304 PolarHBondContact O-N 3.07Å; I301-L305 HydrophobicContact CG2-CD1 4.22Å; I301-L305 HydrophobicContact CG2-CG 4.23Å; I301-L305 WeakPolarHBondContact O-CG 3.49Å; I301-L305 PolarHBondContact O-N 3.22Å; I301-L305 VanDerWaalsContact O-N 3.08Å; I301-Y329 HydrophobicContact CB-CE1 4.24Å; I301-Y329 HydrophobicContact CB-CE2 4.3Å; I301-Y329 WeakPolarHBondContact CB-OH 3.09Å; I301-Y329 HydrophobicContact CG2-CD1 4.37Å; I301-Y329 HydrophobicContact CG2-CD2 4.19Å; I301-Y329 HydrophobicContact CG2-CE1 3.88Å; I301-Y329 HydrophobicContact CG2-CE2 3.69Å |
| 302 | Q | 94.7 | Very high | 94.2 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -52.6 | -42.8 | 179.7 | -173.3 | 179.5 | 27 | 0 | 0 | 112.7 | A298 V299 V304 L305 L306 Y329 L330 T339 | A298-Q302 WeakPolarHBondContact O-CB 3.18Å; A298-Q302 PolarHBondContact O-N 3.49Å; V299-Q302 WeakPolarHBondContact O-CB 3.2Å; V299-Q302 PolarHBondContact O-N 2.96Å; Q302-V304 VanDerWaalsContact C-N 3.29Å; Q302-V304 PolarHBondContact O-N 3.11Å; Q302-L305 PolarHBondContact O-N 3.41Å; Q302-L305 VanDerWaalsContact O-N 3.16Å; Q302-L306 WeakPolarHBondContact O-CG 3.38Å; Q302-L306 PolarHBondContact O-N 2.89Å; Q302-Y329 HydrophobicContact CB-CE1 4.42Å; Q302-L330 HydrophobicContact CG-CD2 3.82Å; Q302-T339 PolarHBondContact NE2-O 3.49Å; Q302-T339 PolarHBondContact OE1-O 3.18Å |
| 303 | Q | 94 | Very high | 94.2 | Very high | 93 Ų | 93 | 35.4 Ų | 35.4 | 44% | 0.435 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -58.8 | -38.3 | 176.6 | -74.1 | 174.3 | -8.1 | 0 | 0 | 113.2 | V299 I301 K307 | V299-Q303 WeakPolarHBondContact O-CG 3.34Å; V299-Q303 PolarHBondContact O-N 3.41Å; I301-Q303 VanDerWaalsContact C-N 3.27Å; I301-Q303 PolarHBondContact O-N 2.71Å; Q303-K307 PolarHBondContact O-N 3.41Å |
| 304 | V | 95.3 | Very high | 94.1 | Very high | 6 Ų | 6 | 41 Ų | 41 | 4% | 0.036 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -71.5 | -38 | 177.2 | -176.5 | 0 | 0 | 0 | 0 | 110.7 | R234 I237 D238 I301 Q302 L306 K307 I308 | R234-V304 HydrophobicContact CG-CG2 3.82Å; I237-V304 HydrophobicContact CB-CG1 4.14Å; I237-V304 HydrophobicContact CG2-CB 4.42Å; I237-V304 HydrophobicContact CG2-CG1 3.58Å; D238-V304 HydrophobicContact CB-CG1 3.61Å; D238-V304 HydrophobicContact CB-CG2 4.16Å; I301-V304 WeakPolarHBondContact O-CB 3.29Å; I301-V304 PolarHBondContact O-N 3.07Å; Q302-V304 VanDerWaalsContact C-N 3.29Å; Q302-V304 PolarHBondContact O-N 3.11Å; V304-L306 VanDerWaalsContact C-N 3.34Å; V304-L306 PolarHBondContact O-N 3.33Å; V304-K307 WeakPolarHBondContact O-CB 3.26Å; V304-K307 PolarHBondContact O-N 3.12Å; V304-I308 PolarHBondContact O-N 2.99Å; V304-I308 VanDerWaalsContact O-N 3.1Å |
| 305 | L | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64 | -40.8 | 176.1 | -56.3 | -175.2 | 0 | 0 | 0 | 111.9 | I237 L266 I301 Q302 K307 I308 L309 A326 Y329 L330 | I237-L305 HydrophobicContact CG2-CD2 4.18Å; L266-L305 HydrophobicContact CD2-CD2 3.21Å; I301-L305 HydrophobicContact CG2-CD1 4.22Å; I301-L305 HydrophobicContact CG2-CG 4.23Å; I301-L305 WeakPolarHBondContact O-CG 3.49Å; I301-L305 PolarHBondContact O-N 3.22Å; I301-L305 VanDerWaalsContact O-N 3.08Å; Q302-L305 PolarHBondContact O-N 3.41Å; Q302-L305 VanDerWaalsContact O-N 3.16Å; L305-K307 PolarHBondContact O-N 2.77Å; L305-I308 HydrophobicContact CD2-CD1 4.44Å; L305-I308 WeakPolarHBondContact O-CB 3.22Å; L305-I308 PolarHBondContact O-N 3.03Å; L305-L309 WeakPolarHBondContact O-CG 3.29Å; L305-L309 PolarHBondContact O-N 3.09Å; L305-A326 HydrophobicContact CD2-CB 4.26Å; L305-Y329 HydrophobicContact CD1-CD1 3.26Å; L305-Y329 HydrophobicContact CD1-CD2 4.45Å; L305-Y329 HydrophobicContact CD1-CE1 4.07Å; L305-Y329 HydrophobicContact CD1-CG 3.5Å; L305-L330 HydrophobicContact CD1-CD2 4.44Å; L305-L330 HydrophobicContact CD1-CG 4.4Å |
| 306 | L | 94.2 | Very high | 93.8 | Very high | 29 Ų | 29 | 48.4 Ų | 48.4 | 15% | 0.152 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.2 | -35.7 | 175.2 | -68.7 | 176.1 | 0 | 0 | 0 | 112 | Q302 V304 L309 D310 H346 I350 | Q302-L306 WeakPolarHBondContact O-CG 3.38Å; Q302-L306 PolarHBondContact O-N 2.89Å; V304-L306 VanDerWaalsContact C-N 3.34Å; V304-L306 PolarHBondContact O-N 3.33Å; L306-L309 PolarHBondContact O-N 2.95Å; L306-D310 WeakPolarHBondContact O-CB 3.43Å; L306-D310 PolarHBondContact O-N 3.25Å; L306-H346 HydrophobicContact CD2-CB 4.34Å; L306-I350 HydrophobicContact CD2-CD1 3.51Å |
| 307 | K | 94 | Very high | 93.7 | Very high | 89 Ų | 89 | 47.5 Ų | 47.5 | 39% | 0.387 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.1 | -42.3 | 172.4 | -179.1 | -177.2 | 168 | -166.8 | 0 | 111.8 | D238 Q303 V304 L305 L309 D310 Q311 | D238-K307 WeakPolarHBondContact OD1-CD 3.43Å; D238-K307 IonicContact OD1-NZ 2.63Å; D238-K307 PolarHBondContact OD1-NZ 2.79Å; D238-K307 IonicContact OD2-NZ 3.44Å; Q303-K307 PolarHBondContact O-N 3.41Å; V304-K307 WeakPolarHBondContact O-CB 3.26Å; V304-K307 PolarHBondContact O-N 3.12Å; L305-K307 PolarHBondContact O-N 2.77Å; K307-L309 VanDerWaalsContact C-N 3.34Å; K307-L309 PolarHBondContact O-N 2.94Å; K307-D310 WeakPolarHBondContact O-CB 3.19Å; K307-D310 PolarHBondContact O-N 3.26Å; K307-Q311 WeakPolarHBondContact O-CG 3.17Å; K307-Q311 PolarHBondContact O-N 3.08Å |
| 308 | I | 94.3 | Very high | 93.6 | Very high | 6 Ų | 6 | 47.2 Ų | 47.2 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.6 | -42.6 | 175.5 | -67.7 | 172.5 | 0 | 0 | 0 | 111.1 | I237 V304 L305 D310 Q311 Y312 V318 V322 | I237-I308 HydrophobicContact CG2-CD1 3.56Å; V304-I308 PolarHBondContact O-N 2.99Å; V304-I308 VanDerWaalsContact O-N 3.1Å; L305-I308 HydrophobicContact CD2-CD1 4.44Å; L305-I308 WeakPolarHBondContact O-CB 3.22Å; L305-I308 PolarHBondContact O-N 3.03Å; I308-D310 VanDerWaalsContact C-N 3.3Å; I308-D310 PolarHBondContact O-N 2.8Å; I308-Q311 WeakPolarHBondContact O-CB 3.4Å; I308-Q311 PolarHBondContact O-N 2.84Å; I308-Y312 PolarHBondContact O-N 2.62Å; I308-V318 HydrophobicContact CG2-CG1 3.87Å; I308-V318 HydrophobicContact CG2-CG2 4.29Å; I308-V322 HydrophobicContact CD1-CG1 4.5Å; I308-V322 HydrophobicContact CG2-CG1 4.3Å |
| 309 | L | 95.1 | Very high | 93.5 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.016 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65 | -35.6 | 175.6 | -63.1 | -166.4 | 0 | 0 | 0 | 112.1 | L305 L306 K307 Y312 R313 L323 A326 F327 L330 I350 V354 | L305-L309 WeakPolarHBondContact O-CG 3.29Å; L305-L309 PolarHBondContact O-N 3.09Å; L306-L309 PolarHBondContact O-N 2.95Å; K307-L309 VanDerWaalsContact C-N 3.34Å; K307-L309 PolarHBondContact O-N 2.94Å; L309-Y312 PolarHBondContact O-N 3.09Å; L309-R313 WeakPolarHBondContact O-CB 3.12Å; L309-R313 PolarHBondContact O-N 3.4Å; L309-L323 HydrophobicContact CD2-CD1 3.51Å; L309-A326 HydrophobicContact CD2-CB 4.41Å; L309-F327 HydrophobicContact CD1-CE1 4.21Å; L309-F327 HydrophobicContact CD2-CD1 4.28Å; L309-F327 HydrophobicContact CD2-CE1 3.71Å; L309-F327 HydrophobicContact CD2-CZ 4.35Å; L309-L330 HydrophobicContact CD1-CD1 3.44Å; L309-L330 VanDerWaalsContact CD1-CD1 3.44Å; L309-L330 HydrophobicContact CG-CD1 4.39Å; L309-I350 HydrophobicContact CD1-CD1 4.37Å; L309-I350 HydrophobicContact CD1-CG1 4.24Å; L309-I350 HydrophobicContact CD1-CG2 4.02Å; L309-V354 HydrophobicContact CB-CG2 4.49Å; L309-V354 HydrophobicContact CD2-CG1 4.21Å |
| 310 | D | 93.3 | Very high | 93.5 | Very high | 52 Ų | 52 | 48.8 Ų | 48.8 | 28% | 0.278 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -66.5 | -37.5 | 174.4 | -169.3 | 53.5 | 0 | 0 | 0 | 112.4 | L306 K307 I308 R313 Q314 | L306-D310 WeakPolarHBondContact O-CB 3.43Å; L306-D310 PolarHBondContact O-N 3.25Å; K307-D310 WeakPolarHBondContact O-CB 3.19Å; K307-D310 PolarHBondContact O-N 3.26Å; I308-D310 VanDerWaalsContact C-N 3.3Å; I308-D310 PolarHBondContact O-N 2.8Å; D310-R313 WeakPolarHBondContact O-CB 3.36Å; D310-R313 PolarHBondContact O-N 3.36Å; D310-R313 IonicContact OD1-CZ 2.79Å; D310-R313 IonicContact OD1-NE 3.53Å; D310-R313 PolarHBondContact OD1-NE 3.02Å; D310-R313 IonicContact OD1-NH2 3.77Å; D310-R313 PolarHBondContact OD1-NH2 3.34Å; D310-Q314 VanDerWaalsContact O-CG 3.3Å; D310-Q314 WeakPolarHBondContact O-CG 3.41Å; D310-Q314 PolarHBondContact O-N 3.3Å; D310-Q314 PolarHBondContact OD2-NE2 3.21Å |
| 311 | Q | 92.3 | Very high | 93.3 | Very high | 45 Ų | 45 | 53.8 Ų | 53.8 | 21% | 0.21 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.2 | -48.6 | 172.7 | -69.5 | -176.5 | -61.3 | 0 | 0 | 111.2 | K307 I308 R313 Q314 K315 E316 V318 | K307-Q311 WeakPolarHBondContact O-CG 3.17Å; K307-Q311 PolarHBondContact O-N 3.08Å; I308-Q311 WeakPolarHBondContact O-CB 3.4Å; I308-Q311 PolarHBondContact O-N 2.84Å; Q311-R313 VanDerWaalsContact C-N 3.31Å; Q311-R313 PolarHBondContact O-N 3.31Å; Q311-Q314 CarbonylContact O-C 3.48Å; Q311-Q314 PolarHBondContact O-N 3.47Å; Q311-Q314 VanDerWaalsContact O-N 3.09Å; Q311-K315 PolarHBondContact O-N 2.63Å; Q311-E316 HydrophobicContact CB-CB 4.12Å; Q311-E316 VanDerWaalsContact CG-OE2 3.3Å; Q311-E316 WeakPolarHBondContact CG-OE2 3.43Å; Q311-E316 PolarHBondContact NE2-OE2 3.47Å; Q311-E316 WeakPolarHBondContact O-CB 3.43Å; Q311-E316 PolarHBondContact O-N 2.93Å; Q311-V318 HydrophobicContact CB-CG2 4.48Å |
| 312 | Y | 93.3 | Very high | 93.3 | Very high | 51 Ų | 51 | 53.7 Ų | 53.7 | 20% | 0.2 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.1 | -44.6 | 175.2 | -178.3 | -95.7 | 0 | 0 | 0 | 111.5 | I308 L309 Q314 K315 V318 L323 V354 V358 | I308-Y312 PolarHBondContact O-N 2.62Å; L309-Y312 PolarHBondContact O-N 3.09Å; Y312-Q314 VanDerWaalsContact C-N 3.25Å; Y312-Q314 PolarHBondContact O-N 3.1Å; Y312-K315 WeakPolarHBondContact O-CA 3.38Å; Y312-K315 PolarHBondContact O-N 3.04Å; Y312-V318 HydrophobicContact CD2-CB 4.35Å; Y312-L323 HydrophobicContact CD2-CD2 3.95Å; Y312-L323 HydrophobicContact CE1-CD2 4.41Å; Y312-L323 HydrophobicContact CE2-CD2 3.77Å; Y312-L323 HydrophobicContact CG-CD1 4.38Å; Y312-L323 HydrophobicContact CG-CD2 4.34Å; Y312-V354 HydrophobicContact CD1-CG1 3.97Å; Y312-V354 HydrophobicContact CE1-CG1 4.41Å; Y312-V358 HydrophobicContact CE1-CG2 3.73Å; Y312-V358 WeakPolarHBondContact OH-CG2 3.38Å |
| 313 | R | 93.1 | Very high | 93.3 | Very high | 99 Ų | 99 | 53.9 Ų | 53.9 | 37% | 0.374 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.1 | -36 | 175.7 | -174.5 | 177.7 | 68 | 151.3 | 4 | 113 | L309 D310 Q311 K315 D353 V354 | L309-R313 WeakPolarHBondContact O-CB 3.12Å; L309-R313 PolarHBondContact O-N 3.4Å; D310-R313 WeakPolarHBondContact O-CB 3.36Å; D310-R313 PolarHBondContact O-N 3.36Å; D310-R313 IonicContact OD1-CZ 2.79Å; D310-R313 IonicContact OD1-NE 3.53Å; D310-R313 PolarHBondContact OD1-NE 3.02Å; D310-R313 IonicContact OD1-NH2 3.77Å; D310-R313 PolarHBondContact OD1-NH2 3.34Å; Q311-R313 VanDerWaalsContact C-N 3.31Å; Q311-R313 PolarHBondContact O-N 3.31Å; R313-K315 PolarHBondContact O-N 3.22Å; R313-D353 WeakPolarHBondContact CD-OD2 3.43Å; R313-D353 HydrophobicContact CG-CB 3.82Å; R313-D353 IonicContact NH1-OD2 2.66Å; R313-V354 HydrophobicContact CB-CG2 4.01Å |
| 314 | Q | 92.5 | Very high | 93.3 | Very high | 118 Ų | 118 | 49.9 Ų | 49.9 | 55% | 0.551 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | 5.6 | 176.2 | -67.3 | 179.8 | 31.3 | 0 | 0 | 113.4 | D310 Q311 Y312 E316 | D310-Q314 VanDerWaalsContact O-CG 3.3Å; D310-Q314 WeakPolarHBondContact O-CG 3.41Å; D310-Q314 PolarHBondContact O-N 3.3Å; D310-Q314 PolarHBondContact OD2-NE2 3.21Å; Q311-Q314 CarbonylContact O-C 3.48Å; Q311-Q314 PolarHBondContact O-N 3.47Å; Q311-Q314 VanDerWaalsContact O-N 3.09Å; Y312-Q314 VanDerWaalsContact C-N 3.25Å; Y312-Q314 PolarHBondContact O-N 3.1Å; Q314-E316 VanDerWaalsContact C-N 3.27Å; Q314-E316 PolarHBondContact O-N 3.42Å |
| 315 | K | 89.5 | Confident | 93.3 | Very high | 198 Ų | 198 | 50.3 Ų | 50.3 | 86% | 0.861 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | 25.2 | -175.1 | -50.5 | -173.9 | 175.3 | -166.3 | 0 | 113.8 | Q311 Y312 R313 | Q311-K315 PolarHBondContact O-N 2.63Å; Y312-K315 WeakPolarHBondContact O-CA 3.38Å; Y312-K315 PolarHBondContact O-N 3.04Å; R313-K315 PolarHBondContact O-N 3.22Å |
| 316 | E | 91.5 | Very high | 93.4 | Very high | 92 Ų | 92 | 50.3 Ų | 50.3 | 43% | 0.43 | 23% | 0.227 | S | C | . | . | trans | -76.6 | 137 | 164.2 | -60.4 | -173.7 | 173.6 | 0 | 0 | 109.2 | Q311 Q314 V318 | Q311-E316 HydrophobicContact CB-CB 4.12Å; Q311-E316 VanDerWaalsContact CG-OE2 3.3Å; Q311-E316 WeakPolarHBondContact CG-OE2 3.43Å; Q311-E316 PolarHBondContact NE2-OE2 3.47Å; Q311-E316 WeakPolarHBondContact O-CB 3.43Å; Q311-E316 PolarHBondContact O-N 2.93Å; Q314-E316 VanDerWaalsContact C-N 3.27Å; Q314-E316 PolarHBondContact O-N 3.42Å; E316-V318 PolarHBondContact O-N 3.49Å | ||
| 317 | Y | 91.6 | Very high | 93.5 | Very high | 52 Ų | 52 | 49 Ų | 49 | 20% | 0.204 | 22% | 0.22 | C | C | . | . | trans | -62.3 | 128.8 | 179.9 | 177.6 | -88.4 | 0 | 0 | 0 | 111.3 | E250 R253 P254 W259 A319 | E250-Y317 PolarHBondContact O-OH 2.85Å; R253-Y317 HydrophobicContact CB-CE1 3.71Å; R253-Y317 HydrophobicContact CB-CE2 4.39Å; R253-Y317 VanDerWaalsContact CB-OH 3.32Å; R253-Y317 WeakPolarHBondContact CB-OH 3.26Å; R253-Y317 HydrophobicContact CG-CE1 4.35Å; P254-Y317 WeakPolarHBondContact CD-OH 3.39Å; P254-Y317 WeakPolarHBondContact CG-OH 3.41Å; W259-Y317 AromaticContact CE2-CD1 3.9Å; W259-Y317 AromaticContact CE2-CE1 3.8Å; W259-Y317 HydrophobicContact CH2-CD1 4.49Å; W259-Y317 VanDerWaalsContact CH2-O 3.32Å; W259-Y317 WeakPolarHBondContact CH2-O 3.36Å; W259-Y317 AromaticContact CZ2-CD1 3.65Å; W259-Y317 HydrophobicContact CZ2-CD1 3.65Å; W259-Y317 HydrophobicContact CZ2-CE1 4.01Å; W259-Y317 WeakPolarHBondContact CZ2-O 3.5Å; W259-Y317 AromaticContact NE1-CD1 3.94Å; W259-Y317 AromaticContact NE1-CE1 3.66Å; Y317-A319 HydrophobicContact CE1-CB 4.32Å | ||
| 318 | V | 93.4 | Very high | 93.5 | Very high | 10 Ų | 10 | 47 Ų | 47 | 6% | 0.061 | 21% | 0.214 | C | C | . | . | trans | -128 | 126.6 | 171.2 | 179.7 | 0 | 0 | 0 | 0 | 107.9 | W259 I308 Q311 Y312 E316 V322 L323 | W259-V318 HydrophobicContact CH2-CB 4.47Å; W259-V318 HydrophobicContact CZ3-CG1 4.22Å; I308-V318 HydrophobicContact CG2-CG1 3.87Å; I308-V318 HydrophobicContact CG2-CG2 4.29Å; Q311-V318 HydrophobicContact CB-CG2 4.48Å; Y312-V318 HydrophobicContact CD2-CB 4.35Å; E316-V318 PolarHBondContact O-N 3.49Å; V318-V322 HydrophobicContact CG1-CB 4.15Å; V318-V322 HydrophobicContact CG1-CG1 3.79Å; V318-L323 HydrophobicContact CG1-CB 4.29Å | ||
| 319 | A | 93.1 | Very high | 93.6 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 3% | 0.033 | 21% | 0.213 | C | C | . | . | trans | -58.3 | 137 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | W259 Y317 R321 V322 L323 | W259-A319 HydrophobicContact CB-CB 3.99Å; W259-A319 HydrophobicContact CD2-CB 3.63Å; W259-A319 HydrophobicContact CE3-CB 3.56Å; W259-A319 HydrophobicContact CG-CB 3.82Å; W259-A319 HydrophobicContact CZ3-CB 4.27Å; Y317-A319 HydrophobicContact CE1-CB 4.32Å; A319-R321 PolarHBondContact O-N 2.74Å; A319-V322 HydrophobicContact CB-CB 4.47Å; A319-V322 HydrophobicContact CB-CG2 4.3Å; A319-V322 WeakPolarHBondContact O-CA 3.45Å; A319-V322 WeakPolarHBondContact O-CB 3.41Å; A319-V322 PolarHBondContact O-N 3.42Å; A319-L323 PolarHBondContact O-N 3.14Å; A319-L323 VanDerWaalsContact O-N 3.15Å | ||
| 320 | P | 92 | Very high | 93.6 | Very high | 60 Ų | 60 | 46.7 Ų | 46.7 | 39% | 0.39 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -49.7 | -50.4 | -176 | -32 | 36.5 | 0 | 0 | 0 | 113.8 | V322 L323 Q324 P390 | P320-V322 PolarHBondContact O-N 2.82Å; P320-L323 WeakPolarHBondContact O-CB 3.19Å; P320-L323 PolarHBondContact O-N 3.39Å; P320-Q324 PolarHBondContact O-N 2.89Å; P320-P390 HydrophobicContact CB-CG 3.7Å; P320-P390 WeakPolarHBondContact O-CG 3.32Å |
| 321 | R | 91.6 | Very high | 93.7 | Very high | 118 Ų | 118 | 45.3 Ų | 45.3 | 45% | 0.445 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.1 | -25 | 178.8 | -71.1 | -65.5 | -162.4 | 150.4 | -0.3 | 114.3 | K263 A319 Q325 Y387 A388 | K263-R321 HydrophobicContact CG-CB 3.83Å; A319-R321 PolarHBondContact O-N 2.74Å; R321-Q325 WeakPolarHBondContact O-CG 3.28Å; R321-Q325 PolarHBondContact O-N 2.92Å; R321-Y387 PolarHBondContact NH1-O 3.35Å; R321-A388 VanDerWaalsContact NH1-CA 3.33Å |
| 322 | V | 95.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -74.3 | -41.8 | 173.6 | 166.6 | 0 | 0 | 0 | 0 | 110 | W259 K262 K263 L266 I308 V318 A319 P320 A326 | W259-V322 HydrophobicContact CE3-CB 4.48Å; W259-V322 HydrophobicContact CE3-CG2 3.96Å; W259-V322 HydrophobicContact CZ3-CG1 4.32Å; W259-V322 HydrophobicContact CZ3-CG2 4.42Å; K262-V322 HydrophobicContact CB-CG2 4.08Å; K263-V322 HydrophobicContact CB-CG2 4.1Å; L266-V322 HydrophobicContact CD1-CB 4.14Å; L266-V322 HydrophobicContact CD1-CG1 3.53Å; L266-V322 HydrophobicContact CD1-CG2 4.32Å; I308-V322 HydrophobicContact CD1-CG1 4.5Å; I308-V322 HydrophobicContact CG2-CG1 4.3Å; V318-V322 HydrophobicContact CG1-CB 4.15Å; V318-V322 HydrophobicContact CG1-CG1 3.79Å; A319-V322 HydrophobicContact CB-CB 4.47Å; A319-V322 HydrophobicContact CB-CG2 4.3Å; A319-V322 WeakPolarHBondContact O-CA 3.45Å; A319-V322 WeakPolarHBondContact O-CB 3.41Å; A319-V322 PolarHBondContact O-N 3.42Å; P320-V322 PolarHBondContact O-N 2.82Å; V322-A326 WeakPolarHBondContact O-CB 3.32Å; V322-A326 PolarHBondContact O-N 3.05Å |
| 323 | L | 95.1 | Very high | 93.8 | Very high | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.026 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.7 | -45.5 | 176.7 | -171.1 | 62.2 | 0 | 0 | 0 | 111.4 | L309 Y312 V318 A319 P320 Q325 A326 F327 V358 P390 | L309-L323 HydrophobicContact CD2-CD1 3.51Å; Y312-L323 HydrophobicContact CD2-CD2 3.95Å; Y312-L323 HydrophobicContact CE1-CD2 4.41Å; Y312-L323 HydrophobicContact CE2-CD2 3.77Å; Y312-L323 HydrophobicContact CG-CD1 4.38Å; Y312-L323 HydrophobicContact CG-CD2 4.34Å; V318-L323 HydrophobicContact CG1-CB 4.29Å; A319-L323 PolarHBondContact O-N 3.14Å; A319-L323 VanDerWaalsContact O-N 3.15Å; P320-L323 WeakPolarHBondContact O-CB 3.19Å; P320-L323 PolarHBondContact O-N 3.39Å; L323-Q325 PolarHBondContact O-N 2.72Å; L323-A326 WeakPolarHBondContact O-CB 3.31Å; L323-A326 PolarHBondContact O-N 3.32Å; L323-F327 HydrophobicContact CD1-CE1 4.16Å; L323-F327 HydrophobicContact CD1-CE2 3.97Å; L323-F327 HydrophobicContact CD1-CZ 3.63Å; L323-F327 HydrophobicContact CD2-CE2 4.05Å; L323-F327 HydrophobicContact CD2-CZ 4.21Å; L323-F327 HydrophobicContact CG-CD2 4.26Å; L323-F327 HydrophobicContact CG-CE2 3.53Å; L323-F327 HydrophobicContact CG-CZ 3.73Å; L323-F327 WeakPolarHBondContact O-CD2 3.48Å; L323-F327 WeakPolarHBondContact O-CG 3.15Å; L323-F327 PolarHBondContact O-N 3.37Å; L323-V358 HydrophobicContact CD2-CG2 3.85Å; L323-P390 HydrophobicContact CB-CB 4.49Å; L323-P390 HydrophobicContact CD2-CB 4.21Å; L323-P390 HydrophobicContact CG-CB 4.41Å |
| 324 | Q | 94.5 | Very high | 93.8 | Very high | 10 Ų | 10 | 38 Ų | 38 | 5% | 0.047 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -53.9 | -53.7 | 174.3 | -176.8 | -120.5 | -8 | 0 | 0 | 112.1 | P320 A326 F327 N328 Y387 P390 A393 | P320-Q324 PolarHBondContact O-N 2.89Å; Q324-A326 VanDerWaalsContact C-N 3.28Å; Q324-A326 PolarHBondContact O-N 3.5Å; Q324-F327 PolarHBondContact O-N 3.33Å; Q324-F327 VanDerWaalsContact O-N 3.14Å; Q324-N328 PolarHBondContact NE2-ND2 3.48Å; Q324-N328 PolarHBondContact O-N 3.24Å; Q324-N328 PolarHBondContact O-OD1 3.16Å; Q324-Y387 PolarHBondContact NE2-O 3.49Å; Q324-P390 HydrophobicContact CB-CG 4.42Å; Q324-A393 HydrophobicContact CB-CB 4.5Å; Q324-A393 HydrophobicContact CG-CB 3.82Å |
| 325 | Q | 94.8 | Very high | 93.7 | Very high | 15 Ų | 15 | 34.7 Ų | 34.7 | 7% | 0.07 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.7 | -29.8 | -179.8 | -65.7 | -67.5 | -37.9 | 0 | 0 | 112.8 | L266 H267 R321 L323 Y329 | L266-Q325 HydrophobicContact CB-CB 3.85Å; H267-Q325 PolarHBondContact CD2-OE1 3.34Å; R321-Q325 WeakPolarHBondContact O-CG 3.28Å; R321-Q325 PolarHBondContact O-N 2.92Å; L323-Q325 PolarHBondContact O-N 2.72Å; Q325-Y329 WeakPolarHBondContact O-CB 3.43Å; Q325-Y329 PolarHBondContact O-N 3.07Å; Q325-Y329 VanDerWaalsContact O-N 3.07Å |
| 326 | A | 96.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.3 | -43 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L305 L309 V322 L323 Q324 Y329 L330 | L305-A326 HydrophobicContact CD2-CB 4.26Å; L309-A326 HydrophobicContact CD2-CB 4.41Å; V322-A326 WeakPolarHBondContact O-CB 3.32Å; V322-A326 PolarHBondContact O-N 3.05Å; L323-A326 WeakPolarHBondContact O-CB 3.31Å; L323-A326 PolarHBondContact O-N 3.32Å; Q324-A326 VanDerWaalsContact C-N 3.28Å; Q324-A326 PolarHBondContact O-N 3.5Å; A326-Y329 PolarHBondContact O-N 3.05Å; A326-L330 VanDerWaalsContact O-CG 3.28Å; A326-L330 WeakPolarHBondContact O-CG 3.42Å; A326-L330 PolarHBondContact O-N 2.98Å |
| 327 | F | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.5 | -45 | 174.5 | -64.1 | -38.9 | 0 | 0 | 0 | 112.3 | L309 L323 Q324 Y329 L330 N331 V354 I355 V358 P390 A393 A394 L397 | L309-F327 HydrophobicContact CD1-CE1 4.21Å; L309-F327 HydrophobicContact CD2-CD1 4.28Å; L309-F327 HydrophobicContact CD2-CE1 3.71Å; L309-F327 HydrophobicContact CD2-CZ 4.35Å; L323-F327 HydrophobicContact CD1-CE1 4.16Å; L323-F327 HydrophobicContact CD1-CE2 3.97Å; L323-F327 HydrophobicContact CD1-CZ 3.63Å; L323-F327 HydrophobicContact CD2-CE2 4.05Å; L323-F327 HydrophobicContact CD2-CZ 4.21Å; L323-F327 HydrophobicContact CG-CD2 4.26Å; L323-F327 HydrophobicContact CG-CE2 3.53Å; L323-F327 HydrophobicContact CG-CZ 3.73Å; L323-F327 WeakPolarHBondContact O-CD2 3.48Å; L323-F327 WeakPolarHBondContact O-CG 3.15Å; L323-F327 PolarHBondContact O-N 3.37Å; Q324-F327 PolarHBondContact O-N 3.33Å; Q324-F327 VanDerWaalsContact O-N 3.14Å; F327-Y329 VanDerWaalsContact C-N 3.33Å; F327-Y329 PolarHBondContact O-N 2.93Å; F327-L330 PolarHBondContact O-N 3.03Å; F327-L330 VanDerWaalsContact O-N 3.14Å; F327-N331 WeakPolarHBondContact O-CB 3.34Å; F327-N331 PolarHBondContact O-N 2.88Å; F327-V354 HydrophobicContact CE1-CG1 3.9Å; F327-V354 HydrophobicContact CZ-CG1 3.84Å; F327-I355 HydrophobicContact CE1-CG1 4.4Å; F327-V358 HydrophobicContact CE2-CG2 4.25Å; F327-V358 HydrophobicContact CZ-CG2 4.16Å; F327-P390 WeakPolarHBondContact CD2-O 3.44Å; F327-A393 HydrophobicContact CB-CB 3.89Å; F327-A393 HydrophobicContact CD2-CB 4.23Å; F327-A394 HydrophobicContact CD2-CB 3.78Å; F327-A394 HydrophobicContact CE2-CB 3.63Å; F327-A394 HydrophobicContact CG-CB 4.41Å; F327-A394 HydrophobicContact CZ-CB 4.15Å; F327-L397 HydrophobicContact CB-CD2 4.29Å; F327-L397 HydrophobicContact CD1-CD2 3.77Å; F327-L397 HydrophobicContact CG-CD2 4.38Å |
| 328 | N | 94.7 | Very high | 93.9 | Very high | 49 Ų | 49 | 24.8 Ų | 24.8 | 26% | 0.262 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -58.2 | -44.2 | 177.5 | -69.1 | -1.5 | 0 | 0 | 0 | 112 | Q324 N331 Q332 A393 | Q324-N328 PolarHBondContact NE2-ND2 3.48Å; Q324-N328 PolarHBondContact O-N 3.24Å; Q324-N328 PolarHBondContact O-OD1 3.16Å; N328-N331 WeakPolarHBondContact O-CB 3.23Å; N328-N331 PolarHBondContact O-N 2.84Å; N328-Q332 PolarHBondContact O-N 3.17Å; N328-A393 VanDerWaalsContact OD1-CB 3.31Å; N328-A393 WeakPolarHBondContact OD1-CB 3.43Å |
| 329 | Y | 95.9 | Very high | 93.9 | Very high | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.008 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.5 | -43.8 | 176.5 | -172.5 | -77.1 | 0 | 0 | 0 | 112 | V269 A270 F273 A298 I301 Q302 L305 Q325 A326 F327 N331 Q332 G333 | V269-Y329 HydrophobicContact CB-CD2 4.38Å; V269-Y329 HydrophobicContact CB-CE2 4.12Å; V269-Y329 HydrophobicContact CG2-CD2 4.05Å; V269-Y329 HydrophobicContact CG2-CE2 4.17Å; A270-Y329 HydrophobicContact CB-CD2 4.49Å; F273-Y329 HydrophobicContact CB-CD2 4.34Å; F273-Y329 HydrophobicContact CB-CE2 3.98Å; F273-Y329 HydrophobicContact CD1-CD1 4.2Å; F273-Y329 HydrophobicContact CD1-CD2 4.05Å; F273-Y329 AromaticContact CD1-CE1 3.88Å; F273-Y329 HydrophobicContact CD1-CE1 3.88Å; F273-Y329 AromaticContact CD1-CE2 3.69Å; F273-Y329 HydrophobicContact CD1-CE2 3.69Å; F273-Y329 HydrophobicContact CD1-CG 4.28Å; F273-Y329 AromaticContact CD1-CZ 3.59Å; F273-Y329 HydrophobicContact CE1-CD1 4.49Å; F273-Y329 HydrophobicContact CE1-CE1 4.04Å; F273-Y329 HydrophobicContact CG-CE2 4.24Å; A298-Y329 VanDerWaalsContact CA-OH 3.24Å; A298-Y329 WeakPolarHBondContact CA-OH 3.29Å; A298-Y329 PolarHBondContact O-OH 3.48Å; A298-Y329 VanDerWaalsContact O-OH 3.08Å; I301-Y329 HydrophobicContact CB-CE1 4.24Å; I301-Y329 HydrophobicContact CB-CE2 4.3Å; I301-Y329 WeakPolarHBondContact CB-OH 3.09Å; I301-Y329 HydrophobicContact CG2-CD1 4.37Å; I301-Y329 HydrophobicContact CG2-CD2 4.19Å; I301-Y329 HydrophobicContact CG2-CE1 3.88Å; I301-Y329 HydrophobicContact CG2-CE2 3.69Å; Q302-Y329 HydrophobicContact CB-CE1 4.42Å; L305-Y329 HydrophobicContact CD1-CD1 3.26Å; L305-Y329 HydrophobicContact CD1-CD2 4.45Å; L305-Y329 HydrophobicContact CD1-CE1 4.07Å; L305-Y329 HydrophobicContact CD1-CG 3.5Å; Q325-Y329 WeakPolarHBondContact O-CB 3.43Å; Q325-Y329 PolarHBondContact O-N 3.07Å; Q325-Y329 VanDerWaalsContact O-N 3.07Å; A326-Y329 PolarHBondContact O-N 3.05Å; F327-Y329 VanDerWaalsContact C-N 3.33Å; F327-Y329 PolarHBondContact O-N 2.93Å; Y329-N331 VanDerWaalsContact C-N 3.28Å; Y329-N331 PolarHBondContact O-N 2.83Å; Y329-Q332 PolarHBondContact O-N 3.01Å; Y329-G333 PolarHBondContact O-N 3.34Å; Y329-G333 VanDerWaalsContact O-N 3.07Å |
| 330 | L | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.2 | -34.2 | 177.6 | -69.5 | 176.4 | 0 | 0 | 0 | 111.7 | Q302 L305 L309 A326 F327 G333 V334 M343 L397 | Q302-L330 HydrophobicContact CG-CD2 3.82Å; L305-L330 HydrophobicContact CD1-CD2 4.44Å; L305-L330 HydrophobicContact CD1-CG 4.4Å; L309-L330 HydrophobicContact CD1-CD1 3.44Å; L309-L330 VanDerWaalsContact CD1-CD1 3.44Å; L309-L330 HydrophobicContact CG-CD1 4.39Å; A326-L330 VanDerWaalsContact O-CG 3.28Å; A326-L330 WeakPolarHBondContact O-CG 3.42Å; A326-L330 PolarHBondContact O-N 2.98Å; F327-L330 PolarHBondContact O-N 3.03Å; F327-L330 VanDerWaalsContact O-N 3.14Å; L330-G333 CarbonylContact O-C 3.42Å; L330-G333 WeakPolarHBondContact O-CA 3.37Å; L330-G333 PolarHBondContact O-N 2.92Å; L330-V334 WeakPolarHBondContact O-CG2 3.5Å; L330-V334 PolarHBondContact O-N 2.87Å; L330-M343 HydrophobicContact CB-SD 4.29Å; L330-M343 HydrophobicContact CD2-SD 4Å; L330-L397 HydrophobicContact CB-CD1 4.05Å; L330-L397 HydrophobicContact CB-CD2 4.03Å; L330-L397 HydrophobicContact CD1-CD2 4.41Å |
| 331 | N | 95.3 | Very high | 94 | Very high | 23 Ų | 23 | 28 Ų | 28 | 12% | 0.123 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.1 | -49.9 | 177 | -174 | 50.7 | 0 | 0 | 0 | 110.3 | F327 N328 Y329 G333 V334 T396 L397 T400 | F327-N331 WeakPolarHBondContact O-CB 3.34Å; F327-N331 PolarHBondContact O-N 2.88Å; N328-N331 WeakPolarHBondContact O-CB 3.23Å; N328-N331 PolarHBondContact O-N 2.84Å; Y329-N331 VanDerWaalsContact C-N 3.28Å; Y329-N331 PolarHBondContact O-N 2.83Å; N331-G333 PolarHBondContact O-N 3.35Å; N331-V334 WeakPolarHBondContact O-CB 3.36Å; N331-V334 PolarHBondContact O-N 2.91Å; N331-T396 PolarHBondContact OD1-O 2.93Å; N331-L397 HydrophobicContact CB-CB 4.36Å; N331-L397 HydrophobicContact CB-CD1 4.2Å; N331-L397 WeakPolarHBondContact OD1-CA 3.31Å; N331-T400 WeakPolarHBondContact OD1-CB 3.38Å; N331-T400 WeakPolarHBondContact OD1-CG2 3.42Å; N331-T400 PolarHBondContact OD1-OG1 3.44Å |
| 332 | Q | 93.6 | Very high | 94 | Very high | 41 Ų | 41 | 26.6 Ų | 26.6 | 19% | 0.192 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.3 | -37.4 | 173.3 | -60.2 | -60.1 | -1.4 | 0 | 0 | 112 | F273 E274 N328 Y329 V334 H336 | F273-Q332 HydrophobicContact CD1-CB 3.76Å; F273-Q332 HydrophobicContact CE1-CB 3.9Å; F273-Q332 HydrophobicContact CG-CB 4.15Å; F273-Q332 HydrophobicContact CZ-CB 4.38Å; E274-Q332 HydrophobicContact CB-CG 4.33Å; N328-Q332 PolarHBondContact O-N 3.17Å; Y329-Q332 PolarHBondContact O-N 3.01Å; Q332-V334 VanDerWaalsContact C-N 3.28Å; Q332-V334 PolarHBondContact O-N 2.9Å; Q332-H336 PolarHBondContact O-CD2 3.27Å |
| 333 | G | 93.2 | Very high | 93.9 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.3 | -17.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y329 L330 N331 V335 T339 | Y329-G333 PolarHBondContact O-N 3.34Å; Y329-G333 VanDerWaalsContact O-N 3.07Å; L330-G333 CarbonylContact O-C 3.42Å; L330-G333 WeakPolarHBondContact O-CA 3.37Å; L330-G333 PolarHBondContact O-N 2.92Å; N331-G333 PolarHBondContact O-N 3.35Å; G333-V335 VanDerWaalsContact C-N 3.32Å; G333-V335 PolarHBondContact O-N 3.34Å; G333-T339 WeakPolarHBondContact O-CB 3.02Å; G333-T339 PolarHBondContact O-OG1 3.38Å |
| 334 | V | 93.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.4 | -37.9 | 178.7 | 171.5 | 0 | 0 | 0 | 0 | 111 | L330 N331 Q332 M343 L397 T400 A401 K404 R405 | L330-V334 WeakPolarHBondContact O-CG2 3.5Å; L330-V334 PolarHBondContact O-N 2.87Å; N331-V334 WeakPolarHBondContact O-CB 3.36Å; N331-V334 PolarHBondContact O-N 2.91Å; Q332-V334 VanDerWaalsContact C-N 3.28Å; Q332-V334 PolarHBondContact O-N 2.9Å; V334-M343 HydrophobicContact CB-CE 4.11Å; V334-M343 HydrophobicContact CG2-CE 3.45Å; V334-M343 VanDerWaalsContact CG2-CE 3.45Å; V334-L397 HydrophobicContact CG2-CD1 3.61Å; V334-T400 HydrophobicContact CB-CG2 4.15Å; V334-T400 HydrophobicContact CG1-CG2 4.04Å; V334-A401 HydrophobicContact CG1-CB 4.3Å; V334-A401 HydrophobicContact CG2-CB 4.23Å; V334-K404 HydrophobicContact CG1-CB 4.34Å; V334-R405 HydrophobicContact CG1-CG 3.96Å; V334-R405 PolarHBondContact O-NE 3.32Å; V334-R405 PolarHBondContact O-NH2 2.93Å |
| 335 | V | 90.6 | Very high | 93.7 | Very high | 47 Ų | 47 | 32.8 Ų | 32.8 | 29% | 0.285 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -71.7 | -40.7 | -171.2 | -176.7 | 0 | 0 | 0 | 0 | 111 | G333 T400 R405 I901 | G333-V335 VanDerWaalsContact C-N 3.32Å; G333-V335 PolarHBondContact O-N 3.34Å; V335-T400 HydrophobicContact CG2-CG2 4.4Å; V335-R405 PolarHBondContact O-NH2 3.06Å; V335-I901 HydrophobicContact CG1-CD1 4.21Å; V335-I901 VanDerWaalsContact O-CD1 3.29Å; V335-I901 WeakPolarHBondContact O-CD1 3.34Å |
| 336 | H | 91.7 | Very high | 93.6 | Very high | 21 Ų | 21 | 36.2 Ų | 36.2 | 10% | 0.097 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -80.8 | 135.7 | -174.3 | -59 | -69.2 | 0 | 0 | 0 | 113.1 | F273 S278 L294 Q332 I338 T339 W340 R405 | F273-H336 AromaticContact CE2-CD2 3.68Å; F273-H336 AromaticContact CE2-NE2 3.91Å; F273-H336 AromaticContact CZ-CD2 3.64Å; S278-H336 WeakPolarHBondContact CB-NE2 3.28Å; S278-H336 PolarHBondContact OG-NE2 3.19Å; L294-H336 HydrophobicContact CD1-CB 3.76Å; L294-H336 HydrophobicContact CD2-CB 4.07Å; Q332-H336 PolarHBondContact O-CD2 3.27Å; H336-I338 PolarHBondContact O-N 3.28Å; H336-T339 WeakPolarHBondContact CB-OG1 3.46Å; H336-T339 PolarHBondContact O-OG1 3.05Å; H336-T339 VanDerWaalsContact O-OG1 3.12Å; H336-W340 VanDerWaalsContact O-CB 3.24Å; H336-W340 WeakPolarHBondContact O-CB 3.38Å; H336-W340 PolarHBondContact O-N 2.82Å; H336-R405 PolarHBondContact O-NH2 3.31Å |
| 337 | S | 90.8 | Very high | 93.5 | Very high | 55 Ų | 55 | 36.6 Ų | 36.6 | 39% | 0.385 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.2 | -36.3 | -176.8 | 65.4 | 0 | 0 | 0 | 0 | 113.3 | K341 | S337-K341 WeakPolarHBondContact O-CG 3.42Å; S337-K341 PolarHBondContact O-N 3.11Å |
| 338 | I | 92.9 | Very high | 93.2 | Very high | 59 Ų | 59 | 40.3 Ų | 40.3 | 30% | 0.303 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.5 | -49.8 | -178 | -61.7 | 177.9 | 0 | 0 | 0 | 111.1 | L294 K295 V299 H336 | L294-I338 HydrophobicContact CD2-CD1 4.49Å; L294-I338 HydrophobicContact CG-CD1 4.44Å; K295-I338 HydrophobicContact CG-CD1 4Å; V299-I338 HydrophobicContact CG2-CG2 3.77Å; H336-I338 PolarHBondContact O-N 3.28Å |
| 339 | T | 93.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -73 | -34.3 | 178.2 | 45 | 0 | 0 | 0 | 0 | 111.7 | F273 L294 A298 V299 Q302 G333 H336 K341 Q342 M343 | F273-T339 HydrophobicContact CZ-CG2 4.41Å; L294-T339 HydrophobicContact CD1-CG2 4.21Å; A298-T339 HydrophobicContact CB-CG2 3.68Å; V299-T339 HydrophobicContact CG2-CG2 4.49Å; Q302-T339 PolarHBondContact NE2-O 3.49Å; Q302-T339 PolarHBondContact OE1-O 3.18Å; G333-T339 WeakPolarHBondContact O-CB 3.02Å; G333-T339 PolarHBondContact O-OG1 3.38Å; H336-T339 WeakPolarHBondContact CB-OG1 3.46Å; H336-T339 PolarHBondContact O-OG1 3.05Å; H336-T339 VanDerWaalsContact O-OG1 3.12Å; T339-K341 PolarHBondContact O-N 3.29Å; T339-Q342 PolarHBondContact O-N 3.15Å; T339-M343 PolarHBondContact O-N 3.4Å; T339-M343 VanDerWaalsContact O-N 3.09Å |
| 340 | W | 94.1 | Very high | 93 | Very high | 11 Ų | 11 | 41.7 Ų | 41.7 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.3 | -41.5 | 175.2 | 177.3 | -113.1 | 0 | 0 | 0 | 112.8 | H336 Q342 M343 K344 I347 R405 V408 | H336-W340 VanDerWaalsContact O-CB 3.24Å; H336-W340 WeakPolarHBondContact O-CB 3.38Å; H336-W340 PolarHBondContact O-N 2.82Å; W340-Q342 PolarHBondContact O-N 2.93Å; W340-Q342 VanDerWaalsContact O-N 3.13Å; W340-M343 HydrophobicContact CE3-CB 4.25Å; W340-M343 HydrophobicContact CE3-CE 3.63Å; W340-M343 HydrophobicContact CZ3-CE 3.89Å; W340-M343 PolarHBondContact O-N 2.94Å; W340-K344 HydrophobicContact CD2-CB 4.4Å; W340-K344 HydrophobicContact CZ2-CB 4.11Å; W340-K344 HydrophobicContact CZ2-CG 3.99Å; W340-K344 WeakPolarHBondContact O-CB 3.37Å; W340-K344 PolarHBondContact O-N 2.72Å; W340-I347 HydrophobicContact CH2-CB 4.15Å; W340-I347 HydrophobicContact CH2-CG1 4.01Å; W340-I347 HydrophobicContact CH2-CG2 3.93Å; W340-I347 HydrophobicContact CZ3-CB 4.3Å; W340-I347 HydrophobicContact CZ3-CD1 4.45Å; W340-I347 HydrophobicContact CZ3-CG1 4.05Å; W340-R405 VanDerWaalsContact CB-NH2 3.32Å; W340-R405 HydrophobicContact CD2-CG 3.89Å; W340-R405 VanDerWaalsContact CD2-NE 3.34Å; W340-R405 VanDerWaalsContact CE2-CD 3.48Å; W340-R405 HydrophobicContact CE3-CG 3.87Å; W340-R405 VanDerWaalsContact CG-CZ 3.41Å; W340-R405 VanDerWaalsContact CG-NE 3.33Å; W340-R405 HydrophobicContact CH2-CB 3.68Å; W340-R405 HydrophobicContact CH2-CG 3.61Å; W340-R405 HydrophobicContact CZ2-CB 3.62Å; W340-R405 HydrophobicContact CZ2-CG 3.62Å; W340-R405 HydrophobicContact CZ3-CB 4.29Å; W340-R405 HydrophobicContact CZ3-CG 3.74Å; W340-V408 HydrophobicContact CH2-CG2 3.87Å |
| 341 | K | 93.1 | Very high | 92.9 | Very high | 131 Ų | 131 | 42 Ų | 42 | 57% | 0.57 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -54.7 | -34.4 | 177.3 | -78.1 | 174.1 | -175.8 | -179.4 | 0 | 112.8 | S337 T339 | S337-K341 WeakPolarHBondContact O-CG 3.42Å; S337-K341 PolarHBondContact O-N 3.11Å; T339-K341 PolarHBondContact O-N 3.29Å |
| 342 | Q | 91.4 | Very high | 92.9 | Very high | 87 Ų | 87 | 42.8 Ų | 42.8 | 41% | 0.407 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -81 | -34.2 | 177.1 | -59.7 | -62.2 | -43.6 | 0 | 0 | 112.3 | V299 T339 W340 P345 H346 | V299-Q342 HydrophobicContact CG1-CG 3.84Å; V299-Q342 HydrophobicContact CG2-CG 4.25Å; T339-Q342 PolarHBondContact O-N 3.15Å; W340-Q342 PolarHBondContact O-N 2.93Å; W340-Q342 VanDerWaalsContact O-N 3.13Å; Q342-P345 WeakPolarHBondContact O-CD 3.44Å; Q342-H346 PolarHBondContact O-CD2 3.28Å |
| 343 | M | 92.9 | Very high | 92.8 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -78.6 | -34.6 | -179.7 | -163.4 | 155 | 54.8 | 0 | 0 | 114.1 | L330 V334 T339 W340 P345 H346 I347 I350 | L330-M343 HydrophobicContact CB-SD 4.29Å; L330-M343 HydrophobicContact CD2-SD 4Å; V334-M343 HydrophobicContact CB-CE 4.11Å; V334-M343 HydrophobicContact CG2-CE 3.45Å; V334-M343 VanDerWaalsContact CG2-CE 3.45Å; T339-M343 PolarHBondContact O-N 3.4Å; T339-M343 VanDerWaalsContact O-N 3.09Å; W340-M343 HydrophobicContact CE3-CB 4.25Å; W340-M343 HydrophobicContact CE3-CE 3.63Å; W340-M343 HydrophobicContact CZ3-CE 3.89Å; W340-M343 PolarHBondContact O-N 2.94Å; M343-P345 VanDerWaalsContact C-CD 3.45Å; M343-H346 CarbonylContact O-C 3.55Å; M343-H346 WeakPolarHBondContact O-CA 3.26Å; M343-H346 PolarHBondContact O-N 2.9Å; M343-I347 HydrophobicContact CG-CD1 4.35Å; M343-I347 PolarHBondContact O-N 2.64Å; M343-I350 HydrophobicContact CG-CD1 4.44Å |
| 344 | K | 93.3 | Very high | 92.9 | Very high | 54 Ų | 54 | 44.4 Ų | 44.4 | 24% | 0.235 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.8 | -45.3 | -175.8 | -172.9 | 177 | -177.4 | 173.9 | 0 | 114.2 | W340 H346 I347 E407 D904 | W340-K344 HydrophobicContact CD2-CB 4.4Å; W340-K344 HydrophobicContact CZ2-CB 4.11Å; W340-K344 HydrophobicContact CZ2-CG 3.99Å; W340-K344 WeakPolarHBondContact O-CB 3.37Å; W340-K344 PolarHBondContact O-N 2.72Å; K344-H346 PolarHBondContact O-N 3.23Å; K344-I347 WeakPolarHBondContact O-CG2 3.12Å; K344-E407 VanDerWaalsContact CE-OE1 3.25Å; K344-E407 WeakPolarHBondContact CE-OE1 3.49Å; K344-E407 IonicContact NZ-OE1 3.87Å; K344-E407 PolarHBondContact NZ-OE1 3.45Å; K344-D904 IonicContact NZ-OD2 3.65Å; K344-D904 PolarHBondContact NZ-OD2 2.82Å |
| 345 | P | 93.3 | Very high | 93 | Very high | 91 Ų | 91 | 44.4 Ų | 44.4 | 59% | 0.591 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69 | -19.4 | 177.6 | 26 | -35.1 | 0 | 0 | 0 | 114.2 | Q342 M343 | Q342-P345 WeakPolarHBondContact O-CD 3.44Å; M343-P345 VanDerWaalsContact C-CD 3.45Å |
| 346 | H | 92.9 | Very high | 93.2 | Very high | 87 Ų | 87 | 42.6 Ų | 42.6 | 40% | 0.403 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | -19.6 | -176.2 | -57.6 | -67.3 | 0 | 0 | 0 | 113.3 | L306 Q342 M343 K344 Q348 N349 I350 | L306-H346 HydrophobicContact CD2-CB 4.34Å; Q342-H346 PolarHBondContact O-CD2 3.28Å; M343-H346 CarbonylContact O-C 3.55Å; M343-H346 WeakPolarHBondContact O-CA 3.26Å; M343-H346 PolarHBondContact O-N 2.9Å; K344-H346 PolarHBondContact O-N 3.23Å; H346-Q348 PolarHBondContact O-N 2.98Å; H346-Q348 VanDerWaalsContact O-N 3.1Å; H346-N349 PolarHBondContact O-N 3.27Å; H346-N349 VanDerWaalsContact O-N 3.1Å; H346-I350 HydrophobicContact CB-CD1 3.9Å; H346-I350 HydrophobicContact CB-CG1 4.4Å; H346-I350 VanDerWaalsContact O-CG1 3.32Å; H346-I350 WeakPolarHBondContact O-CG1 3.43Å; H346-I350 PolarHBondContact O-N 3.42Å |
| 347 | I | 92.9 | Very high | 93.3 | Very high | 9 Ų | 9 | 44.3 Ų | 44.3 | 5% | 0.046 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.8 | -32.9 | -171.4 | -166.6 | 57.9 | 0 | 0 | 0 | 113.4 | W340 M343 K344 I350 S351 A401 V408 | W340-I347 HydrophobicContact CH2-CB 4.15Å; W340-I347 HydrophobicContact CH2-CG1 4.01Å; W340-I347 HydrophobicContact CH2-CG2 3.93Å; W340-I347 HydrophobicContact CZ3-CB 4.3Å; W340-I347 HydrophobicContact CZ3-CD1 4.45Å; W340-I347 HydrophobicContact CZ3-CG1 4.05Å; M343-I347 HydrophobicContact CG-CD1 4.35Å; M343-I347 PolarHBondContact O-N 2.64Å; K344-I347 WeakPolarHBondContact O-CG2 3.12Å; I347-I350 PolarHBondContact O-N 3.25Å; I347-S351 WeakPolarHBondContact O-CB 3.46Å; I347-S351 PolarHBondContact O-N 2.87Å; I347-S351 PolarHBondContact O-OG 3.09Å; I347-A401 HydrophobicContact CD1-CB 4.47Å; I347-V408 HydrophobicContact CG1-CG2 3.98Å; I347-V408 HydrophobicContact CG2-CG2 4.4Å |
| 348 | Q | 91.4 | Very high | 93.5 | Very high | 78 Ų | 78 | 41.8 Ų | 41.8 | 36% | 0.364 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.4 | -52.3 | 177.7 | -174.7 | 173.4 | -6.5 | 0 | 0 | 111.2 | H346 I350 S351 E352 | H346-Q348 PolarHBondContact O-N 2.98Å; H346-Q348 VanDerWaalsContact O-N 3.1Å; Q348-I350 VanDerWaalsContact C-N 3.29Å; Q348-I350 PolarHBondContact O-N 3.18Å; Q348-S351 PolarHBondContact O-N 2.92Å; Q348-S351 VanDerWaalsContact O-N 3.12Å; Q348-E352 HydrophobicContact CG-CG 4.43Å; Q348-E352 WeakPolarHBondContact CG-OE1 2.99Å; Q348-E352 PolarHBondContact NE2-OE1 3.35Å; Q348-E352 WeakPolarHBondContact O-CB 3.31Å; Q348-E352 WeakPolarHBondContact O-CG 3.04Å; Q348-E352 PolarHBondContact O-N 3.06Å |
| 349 | N | 92.4 | Very high | 93.5 | Very high | 69 Ų | 69 | 39.2 Ų | 39.2 | 37% | 0.369 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.1 | -35.9 | 177.1 | -62.4 | -2.1 | 0 | 0 | 0 | 111.6 | H346 S351 D353 | H346-N349 PolarHBondContact O-N 3.27Å; H346-N349 VanDerWaalsContact O-N 3.1Å; N349-S351 VanDerWaalsContact C-N 3.32Å; N349-D353 WeakPolarHBondContact O-CA 3.37Å; N349-D353 VanDerWaalsContact O-CB 3.25Å; N349-D353 WeakPolarHBondContact O-CB 3.31Å; N349-D353 PolarHBondContact O-N 3.04Å |
| 350 | I | 94.4 | Very high | 93.5 | Very high | 10 Ų | 10 | 40 Ų | 40 | 5% | 0.051 | 21% | 0.205 | C | C | . | . | I | π-helix | trans | -62.5 | -43.1 | 174.6 | -65 | 166.3 | 0 | 0 | 0 | 110 | L306 L309 M343 H346 I347 Q348 V354 I355 | L306-I350 HydrophobicContact CD2-CD1 3.51Å; L309-I350 HydrophobicContact CD1-CD1 4.37Å; L309-I350 HydrophobicContact CD1-CG1 4.24Å; L309-I350 HydrophobicContact CD1-CG2 4.02Å; M343-I350 HydrophobicContact CG-CD1 4.44Å; H346-I350 HydrophobicContact CB-CD1 3.9Å; H346-I350 HydrophobicContact CB-CG1 4.4Å; H346-I350 VanDerWaalsContact O-CG1 3.32Å; H346-I350 WeakPolarHBondContact O-CG1 3.43Å; H346-I350 PolarHBondContact O-N 3.42Å; I347-I350 PolarHBondContact O-N 3.25Å; Q348-I350 VanDerWaalsContact C-N 3.29Å; Q348-I350 PolarHBondContact O-N 3.18Å; I350-V354 WeakPolarHBondContact O-CB 3.44Å; I350-V354 PolarHBondContact O-N 2.91Å; I350-I355 HydrophobicContact CG2-CD1 3.94Å; I350-I355 HydrophobicContact CG2-CG1 4.09Å; I350-I355 WeakPolarHBondContact O-CG1 3.4Å; I350-I355 PolarHBondContact O-N 3.1Å |
| 351 | S | 94.3 | Very high | 93.4 | Very high | 6 Ų | 6 | 39.9 Ų | 39.9 | 4% | 0.042 | 21% | 0.205 | C | C | . | . | I | π-helix | trans | -68.7 | -48.3 | -179.8 | -54.3 | 0 | 0 | 0 | 0 | 111.9 | I347 Q348 N349 F356 | I347-S351 WeakPolarHBondContact O-CB 3.46Å; I347-S351 PolarHBondContact O-N 2.87Å; I347-S351 PolarHBondContact O-OG 3.09Å; Q348-S351 PolarHBondContact O-N 2.92Å; Q348-S351 VanDerWaalsContact O-N 3.12Å; N349-S351 VanDerWaalsContact C-N 3.32Å; S351-F356 VanDerWaalsContact O-CB 3.31Å; S351-F356 WeakPolarHBondContact O-CB 3.42Å; S351-F356 PolarHBondContact O-N 2.86Å |
| 352 | E | 93.6 | Very high | 93.3 | Very high | 41 Ų | 41 | 36.8 Ų | 36.8 | 19% | 0.192 | 19% | 0.191 | C | C | . | . | I | π-helix | trans | -81.4 | -38.4 | -172.3 | -65.7 | 176.6 | -160.3 | 0 | 0 | 113.8 | Q348 F356 F415 | Q348-E352 HydrophobicContact CG-CG 4.43Å; Q348-E352 WeakPolarHBondContact CG-OE1 2.99Å; Q348-E352 PolarHBondContact NE2-OE1 3.35Å; Q348-E352 WeakPolarHBondContact O-CB 3.31Å; Q348-E352 WeakPolarHBondContact O-CG 3.04Å; Q348-E352 PolarHBondContact O-N 3.06Å; E352-F356 WeakPolarHBondContact O-CB 3.43Å; E352-F415 HydrophobicContact CB-CD2 4.4Å; E352-F415 HydrophobicContact CB-CE1 4.31Å; E352-F415 HydrophobicContact CB-CE2 4.17Å; E352-F415 HydrophobicContact CB-CZ 4.1Å; E352-F415 HydrophobicContact CG-CB 4.32Å; E352-F415 HydrophobicContact CG-CD1 4.13Å; E352-F415 HydrophobicContact CG-CD2 3.94Å; E352-F415 HydrophobicContact CG-CE1 4.39Å; E352-F415 HydrophobicContact CG-CE2 4.23Å; E352-F415 HydrophobicContact CG-CG 3.88Å; E352-F415 HydrophobicContact CG-CZ 4.43Å |
| 353 | D | 92.3 | Very high | 93.2 | Very high | 72 Ų | 72 | 37.6 Ų | 37.6 | 39% | 0.385 | 20% | 0.199 | S | C | . | . | I | π-helix | trans | -99.6 | -28.2 | -174.2 | -57.9 | -36.1 | 0 | 0 | 0 | 113.2 | R313 N349 S357 | R313-D353 WeakPolarHBondContact CD-OD2 3.43Å; R313-D353 HydrophobicContact CG-CB 3.82Å; R313-D353 IonicContact NH1-OD2 2.66Å; N349-D353 WeakPolarHBondContact O-CA 3.37Å; N349-D353 VanDerWaalsContact O-CB 3.25Å; N349-D353 WeakPolarHBondContact O-CB 3.31Å; N349-D353 PolarHBondContact O-N 3.04Å; D353-S357 WeakPolarHBondContact O-CB 3.41Å |
| 354 | V | 95.3 | Very high | 93 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.018 | 22% | 0.223 | C | C | . | . | I | π-helix | trans | -107 | -67 | -172.6 | 179.5 | 0 | 0 | 0 | 0 | 111.2 | L309 Y312 R313 F327 I350 F356 S357 V358 | L309-V354 HydrophobicContact CB-CG2 4.49Å; L309-V354 HydrophobicContact CD2-CG1 4.21Å; Y312-V354 HydrophobicContact CD1-CG1 3.97Å; Y312-V354 HydrophobicContact CE1-CG1 4.41Å; R313-V354 HydrophobicContact CB-CG2 4.01Å; F327-V354 HydrophobicContact CE1-CG1 3.9Å; F327-V354 HydrophobicContact CZ-CG1 3.84Å; I350-V354 WeakPolarHBondContact O-CB 3.44Å; I350-V354 PolarHBondContact O-N 2.91Å; V354-F356 PolarHBondContact O-N 3.39Å; V354-S357 PolarHBondContact O-N 3.31Å; V354-V358 WeakPolarHBondContact O-CG2 3.47Å; V354-V358 PolarHBondContact O-N 3.22Å |
| 355 | I | 95.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | I | π-helix | trans | -57 | -51.9 | -178.6 | -69 | 175.5 | 0 | 0 | 0 | 109.9 | F327 I350 S357 V358 M359 A394 L397 L398 | F327-I355 HydrophobicContact CE1-CG1 4.4Å; I350-I355 HydrophobicContact CG2-CD1 3.94Å; I350-I355 HydrophobicContact CG2-CG1 4.09Å; I350-I355 WeakPolarHBondContact O-CG1 3.4Å; I350-I355 PolarHBondContact O-N 3.1Å; I355-S357 VanDerWaalsContact C-N 3.29Å; I355-S357 PolarHBondContact O-N 3.01Å; I355-V358 PolarHBondContact O-N 2.98Å; I355-V358 VanDerWaalsContact O-N 3.08Å; I355-M359 HydrophobicContact CG2-CG 4.42Å; I355-M359 HydrophobicContact CG2-SD 3.79Å; I355-M359 WeakPolarHBondContact O-CG 3.5Å; I355-M359 PolarHBondContact O-N 3.05Å; I355-A394 HydrophobicContact CB-CB 4.49Å; I355-A394 HydrophobicContact CG1-CB 4.33Å; I355-A394 HydrophobicContact CG2-CB 4.13Å; I355-L397 HydrophobicContact CD1-CD2 3.88Å; I355-L397 HydrophobicContact CD1-CG 4.03Å; I355-L398 HydrophobicContact CD1-CB 4.35Å; I355-L398 HydrophobicContact CG2-CB 4.11Å; I355-L398 HydrophobicContact CG2-CD2 4.11Å |
| 356 | F | 95.9 | Very high | 92.8 | Very high | 10 Ų | 10 | 40.9 Ų | 40.9 | 4% | 0.044 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.4 | -42.7 | 178.8 | -177.6 | -101.8 | 0 | 0 | 0 | 112.6 | S351 E352 V354 V358 M359 C360 M412 F415 I419 K429 A433 V436 | S351-F356 VanDerWaalsContact O-CB 3.31Å; S351-F356 WeakPolarHBondContact O-CB 3.42Å; S351-F356 PolarHBondContact O-N 2.86Å; E352-F356 WeakPolarHBondContact O-CB 3.43Å; V354-F356 PolarHBondContact O-N 3.39Å; F356-V358 VanDerWaalsContact C-N 3.32Å; F356-V358 PolarHBondContact O-N 3Å; F356-M359 PolarHBondContact O-N 3.47Å; F356-C360 VanDerWaalsContact CE1-SG 3.5Å; F356-C360 PolarHBondContact O-N 2.9Å; F356-C360 VanDerWaalsContact O-N 3.12Å; F356-C360 PolarHBondContact O-SG 3.41Å; F356-M412 HydrophobicContact CB-CE 4.2Å; F356-M412 HydrophobicContact CD2-CE 4.02Å; F356-F415 HydrophobicContact CB-CE1 4.24Å; F356-F415 AromaticContact CD1-CE1 3.83Å; F356-F415 HydrophobicContact CD1-CE1 3.83Å; F356-F415 HydrophobicContact CD1-CZ 4.19Å; F356-F415 HydrophobicContact CD2-CD1 4.44Å; F356-F415 AromaticContact CD2-CE1 3.8Å; F356-F415 HydrophobicContact CD2-CE1 3.8Å; F356-F415 HydrophobicContact CE1-CE1 4.12Å; F356-F415 HydrophobicContact CE1-CZ 4.41Å; F356-F415 HydrophobicContact CE2-CE1 4.07Å; F356-F415 AromaticContact CG-CE1 3.68Å; F356-F415 HydrophobicContact CG-CE1 3.68Å; F356-F415 HydrophobicContact CG-CZ 4.44Å; F356-F415 HydrophobicContact CZ-CE1 4.24Å; F356-I419 HydrophobicContact CE1-CD1 3.75Å; F356-I419 HydrophobicContact CE2-CD1 3.9Å; F356-I419 HydrophobicContact CZ-CD1 3.31Å; F356-K429 HydrophobicContact CE1-CB 4.32Å; F356-K429 HydrophobicContact CE1-CG 4.27Å; F356-K429 HydrophobicContact CZ-CB 4.22Å; F356-K429 WeakPolarHBondContact CZ-O 3.18Å; F356-A433 HydrophobicContact CE2-CB 4.23Å; F356-V436 HydrophobicContact CD2-CG2 4.13Å |
| 357 | S | 93.6 | Very high | 92.8 | Very high | 57 Ų | 57 | 42.2 Ų | 42.2 | 40% | 0.399 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67.6 | -31.7 | 179.1 | -173.7 | 0 | 0 | 0 | 0 | 112.8 | D353 V354 I355 | D353-S357 WeakPolarHBondContact O-CB 3.41Å; V354-S357 PolarHBondContact O-N 3.31Å; I355-S357 VanDerWaalsContact C-N 3.29Å; I355-S357 PolarHBondContact O-N 3.01Å |
| 358 | V | 93.4 | Very high | 92.7 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.012 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -71.5 | -35.4 | 175.4 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | Y312 L323 F327 V354 I355 F356 P390 T391 A394 | Y312-V358 HydrophobicContact CE1-CG2 3.73Å; Y312-V358 WeakPolarHBondContact OH-CG2 3.38Å; L323-V358 HydrophobicContact CD2-CG2 3.85Å; F327-V358 HydrophobicContact CE2-CG2 4.25Å; F327-V358 HydrophobicContact CZ-CG2 4.16Å; V354-V358 WeakPolarHBondContact O-CG2 3.47Å; V354-V358 PolarHBondContact O-N 3.22Å; I355-V358 PolarHBondContact O-N 2.98Å; I355-V358 VanDerWaalsContact O-N 3.08Å; F356-V358 VanDerWaalsContact C-N 3.32Å; F356-V358 PolarHBondContact O-N 3Å; V358-P390 HydrophobicContact CG1-CB 4.12Å; V358-T391 PolarHBondContact O-OG1 3.49Å; V358-A394 HydrophobicContact CG1-CB 4.3Å |
| 359 | M | 93.6 | Very high | 92.8 | Very high | 4 Ų | 4 | 40.6 Ų | 40.6 | 2% | 0.02 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -81 | -12.2 | -178.9 | -66.5 | -177.7 | 76.5 | 0 | 0 | 114.7 | I355 F356 T391 Q395 L398 H435 V436 S439 | I355-M359 HydrophobicContact CG2-CG 4.42Å; I355-M359 HydrophobicContact CG2-SD 3.79Å; I355-M359 WeakPolarHBondContact O-CG 3.5Å; I355-M359 PolarHBondContact O-N 3.05Å; F356-M359 PolarHBondContact O-N 3.47Å; M359-T391 HydrophobicContact CG-CG2 4.35Å; M359-Q395 HydrophobicContact CE-CB 4.18Å; M359-Q395 HydrophobicContact CE-CG 4.39Å; M359-L398 HydrophobicContact SD-CD2 4.38Å; M359-H435 HydrophobicContact CE-CB 4.33Å; M359-H435 PolarHBondContact O-ND1 3.48Å; M359-V436 HydrophobicContact CE-CG2 4.02Å; M359-V436 HydrophobicContact SD-CG2 3.7Å; M359-S439 WeakPolarHBondContact CE-OG 3.11Å |
| 360 | C | 94.3 | Very high | 92.9 | Very high | 17 Ų | 17 | 43 Ų | 43 | 12% | 0.115 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -74.7 | 143.3 | 175 | -70 | 0 | 0 | 0 | 0 | 111.1 | F356 K362 | F356-C360 VanDerWaalsContact CE1-SG 3.5Å; F356-C360 PolarHBondContact O-N 2.9Å; F356-C360 VanDerWaalsContact O-N 3.12Å; F356-C360 PolarHBondContact O-SG 3.41Å; C360-K362 VanDerWaalsContact O-CG 3.29Å; C360-K362 WeakPolarHBondContact O-CG 3.33Å |
| 361 | Y | 92.3 | Very high | 92.8 | Very high | 8 Ų | 8 | 49.9 Ų | 49.9 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | trans | -53.4 | 132 | 166.2 | -169.3 | -95.6 | 0 | 0 | 0 | 112.8 | D365 E366 W369 R428 D431 Y472 | Y361-D365 HydrophobicContact CD1-CB 4.43Å; Y361-D365 HydrophobicContact CD2-CB 3.67Å; Y361-D365 HydrophobicContact CE1-CB 4.29Å; Y361-D365 HydrophobicContact CE2-CB 3.48Å; Y361-D365 VanDerWaalsContact CE2-CB 3.48Å; Y361-D365 HydrophobicContact CG-CB 4.18Å; Y361-E366 HydrophobicContact CE1-CB 3.78Å; Y361-E366 WeakPolarHBondContact CE1-OE2 3.46Å; Y361-E366 VanDerWaalsContact OH-CA 3.29Å; Y361-E366 WeakPolarHBondContact OH-CA 3.33Å; Y361-E366 PolarHBondContact OH-OE2 3.08Å; Y361-W369 WeakPolarHBondContact OH-CB 3.47Å; Y361-R428 HydrophobicContact CD1-CG 4.15Å; Y361-R428 WeakPolarHBondContact O-CD 3.43Å; Y361-D431 WeakPolarHBondContact CB-OD2 3.32Å; Y361-D431 PolarHBondContact N-OD2 3.28Å; Y361-D431 VanDerWaalsContact N-OD2 3.14Å; Y361-Y472 HydrophobicContact CD1-CD1 4.36Å; Y361-Y472 HydrophobicContact CD1-CD2 4.19Å; Y361-Y472 HydrophobicContact CD1-CE1 4.47Å; Y361-Y472 HydrophobicContact CD1-CE2 4.3Å; Y361-Y472 HydrophobicContact CD1-CG 4.22Å; Y361-Y472 HydrophobicContact CD2-CD2 4.2Å; Y361-Y472 HydrophobicContact CD2-CG 4.13Å; Y361-Y472 AromaticContact CE1-CD1 3.88Å; Y361-Y472 HydrophobicContact CE1-CD1 3.88Å; Y361-Y472 HydrophobicContact CE1-CD2 4.45Å; Y361-Y472 HydrophobicContact CE1-CE1 4.18Å; Y361-Y472 HydrophobicContact CE1-CG 4.02Å; Y361-Y472 HydrophobicContact CE2-CD1 4.46Å; Y361-Y472 HydrophobicContact CE2-CD2 4.48Å; Y361-Y472 AromaticContact CE2-CG 3.96Å; Y361-Y472 HydrophobicContact CE2-CG 3.96Å; Y361-Y472 HydrophobicContact CG-CD2 4Å; Y361-Y472 HydrophobicContact CG-CE2 4.4Å; Y361-Y472 HydrophobicContact CG-CG 4.22Å; Y361-Y472 AromaticContact CZ-CD1 3.91Å; Y361-Y472 AromaticContact CZ-CG 3.87Å | ||
| 362 | K | 90.4 | Very high | 92.8 | Very high | 66 Ų | 66 | 53 Ų | 53 | 29% | 0.287 | 27% | 0.265 | S | S | . | . | trans | -111.8 | -178.6 | -171.2 | -52.3 | -179 | -174.2 | 159.2 | 0 | 113 | C360 E364 D365 E366 | C360-K362 VanDerWaalsContact O-CG 3.29Å; C360-K362 WeakPolarHBondContact O-CG 3.33Å; K362-E364 WeakPolarHBondContact CB-OE2 3.33Å; K362-D365 PolarHBondContact N-OD2 3.05Å; K362-E366 PolarHBondContact O-N 2.95Å | ||
| 363 | D | 89.9 | Confident | 92.7 | Very high | 105 Ų | 105 | 52.8 Ų | 52.8 | 56% | 0.561 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -71.6 | -36.3 | 176 | -74.3 | -42.4 | 0 | 0 | 0 | 111.1 | D365 E366 E367 R428 | D363-D365 VanDerWaalsContact C-N 3.33Å; D363-D365 PolarHBondContact O-N 3.09Å; D363-E366 PolarHBondContact O-N 2.93Å; D363-E367 PolarHBondContact O-N 2.97Å; D363-R428 IonicContact OD1-CZ 2.72Å; D363-R428 IonicContact OD1-NH1 2.97Å; D363-R428 PolarHBondContact OD1-NH1 3.13Å; D363-R428 IonicContact OD1-NH2 2.83Å; D363-R428 PolarHBondContact OD1-NH2 3.28Å; D363-R428 IonicContact OD2-NH1 2.82Å |
| 364 | E | 87.3 | Confident | 92.6 | Very high | 110 Ų | 110 | 53 Ų | 53 | 51% | 0.514 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.1 | -38.5 | 177.2 | -53.4 | 81.9 | -175.8 | 0 | 0 | 111.3 | K362 E366 E367 L368 | K362-E364 WeakPolarHBondContact CB-OE2 3.33Å; E364-E366 VanDerWaalsContact C-N 3.33Å; E364-E366 PolarHBondContact O-N 3.47Å; E364-E367 PolarHBondContact O-N 3.06Å; E364-L368 PolarHBondContact O-N 2.9Å |
| 365 | D | 91 | Very high | 92.2 | Very high | 53 Ų | 53 | 56.2 Ų | 56.2 | 28% | 0.283 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.9 | -38.9 | 174.4 | -59 | -44.1 | 0 | 0 | 0 | 111.5 | Y361 K362 D363 W369 Y376 | Y361-D365 HydrophobicContact CD1-CB 4.43Å; Y361-D365 HydrophobicContact CD2-CB 3.67Å; Y361-D365 HydrophobicContact CE1-CB 4.29Å; Y361-D365 HydrophobicContact CE2-CB 3.48Å; Y361-D365 VanDerWaalsContact CE2-CB 3.48Å; Y361-D365 HydrophobicContact CG-CB 4.18Å; K362-D365 PolarHBondContact N-OD2 3.05Å; D363-D365 VanDerWaalsContact C-N 3.33Å; D363-D365 PolarHBondContact O-N 3.09Å; D365-W369 WeakPolarHBondContact O-CB 3.34Å; D365-W369 PolarHBondContact O-N 3.49Å; D365-Y376 HydrophobicContact CB-CE2 4.34Å |
| 366 | E | 92.6 | Very high | 91.9 | Very high | 51 Ų | 51 | 57.4 Ų | 57.4 | 24% | 0.238 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69.3 | -40.9 | 177.9 | -174.1 | 64.9 | -159.3 | 0 | 0 | 112.1 | Y361 K362 D363 E364 W369 Q370 | Y361-E366 HydrophobicContact CE1-CB 3.78Å; Y361-E366 WeakPolarHBondContact CE1-OE2 3.46Å; Y361-E366 VanDerWaalsContact OH-CA 3.29Å; Y361-E366 WeakPolarHBondContact OH-CA 3.33Å; Y361-E366 PolarHBondContact OH-OE2 3.08Å; K362-E366 PolarHBondContact O-N 2.95Å; D363-E366 PolarHBondContact O-N 2.93Å; E364-E366 VanDerWaalsContact C-N 3.33Å; E364-E366 PolarHBondContact O-N 3.47Å; E366-W369 PolarHBondContact O-N 2.88Å; E366-Q370 HydrophobicContact CG-CG 4.39Å; E366-Q370 WeakPolarHBondContact O-CB 3.49Å; E366-Q370 VanDerWaalsContact O-CG 3.25Å; E366-Q370 WeakPolarHBondContact O-CG 3.47Å; E366-Q370 PolarHBondContact O-N 2.65Å; E366-Q370 WeakPolarHBondContact OE1-CG 3.39Å; E366-Q370 PolarHBondContact OE1-NE2 3.5Å |
| 367 | E | 92.2 | Very high | 91.6 | Very high | 115 Ų | 115 | 57 Ų | 57 | 54% | 0.537 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.4 | -50.6 | 176.2 | -172.4 | 167 | -161.2 | 0 | 0 | 110.1 | D363 E364 W369 Q370 E371 | D363-E367 PolarHBondContact O-N 2.97Å; E364-E367 PolarHBondContact O-N 3.06Å; E367-W369 PolarHBondContact O-N 3.07Å; E367-Q370 PolarHBondContact O-N 2.9Å; E367-E371 HydrophobicContact CG-CG 4.42Å; E367-E371 WeakPolarHBondContact O-CB 3.34Å; E367-E371 WeakPolarHBondContact O-CG 3.34Å; E367-E371 PolarHBondContact O-N 3.35Å |
| 368 | L | 90.8 | Very high | 91.2 | Very high | 46 Ų | 46 | 59.8 Ų | 59.8 | 24% | 0.241 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.7 | -43.6 | 177.3 | -168.5 | 60.3 | 0 | 0 | 0 | 112.1 | E364 Q370 D372 E375 Y376 M379 | E364-L368 PolarHBondContact O-N 2.9Å; L368-Q370 VanDerWaalsContact C-N 3.3Å; L368-Q370 PolarHBondContact O-N 3.27Å; L368-D372 CarbonylContact O-C 3.56Å; L368-D372 WeakPolarHBondContact O-CA 3.43Å; L368-D372 PolarHBondContact O-N 3.47Å; L368-E375 HydrophobicContact CD1-CB 4.02Å; L368-E375 HydrophobicContact CD1-CG 3.98Å; L368-Y376 HydrophobicContact CB-CD2 4.45Å; L368-Y376 HydrophobicContact CD2-CD2 4.2Å; L368-Y376 HydrophobicContact CG-CD2 4.38Å; L368-M379 HydrophobicContact CD2-CG 4.45Å; L368-M379 HydrophobicContact CD2-SD 3.52Å; L368-M379 VanDerWaalsContact CD2-SD 3.52Å |
| 369 | W | 93.9 | Very high | 90.7 | Very high | 7 Ų | 7 | 63.7 Ų | 63.7 | 3% | 0.027 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.6 | -38.2 | 178.2 | -175.1 | -74.1 | 0 | 0 | 0 | 113.1 | Y361 D365 E366 E367 Y376 A475 E511 P513 V514 | Y361-W369 WeakPolarHBondContact OH-CB 3.47Å; D365-W369 WeakPolarHBondContact O-CB 3.34Å; D365-W369 PolarHBondContact O-N 3.49Å; E366-W369 PolarHBondContact O-N 2.88Å; E367-W369 PolarHBondContact O-N 3.07Å; W369-Y376 HydrophobicContact CB-CD2 4.49Å; W369-Y376 AromaticContact CE3-CD1 3.73Å; W369-Y376 HydrophobicContact CE3-CD1 3.73Å; W369-Y376 HydrophobicContact CE3-CD2 4.2Å; W369-Y376 AromaticContact CE3-CE1 3.5Å; W369-Y376 HydrophobicContact CE3-CE1 3.5Å; W369-Y376 HydrophobicContact CE3-CE2 4Å; W369-Y376 HydrophobicContact CE3-CG 4.09Å; W369-Y376 AromaticContact CE3-CZ 3.65Å; W369-Y376 AromaticContact CZ3-CD1 3.97Å; W369-Y376 HydrophobicContact CZ3-CD1 3.97Å; W369-Y376 AromaticContact CZ3-CE1 3.46Å; W369-Y376 HydrophobicContact CZ3-CE1 3.46Å; W369-Y376 VanDerWaalsContact CZ3-CE1 3.46Å; W369-Y376 AromaticContact CZ3-CZ 3.86Å; W369-A475 HydrophobicContact CH2-CB 3.8Å; W369-A475 HydrophobicContact CZ3-CB 4.34Å; W369-E511 HydrophobicContact CZ2-CB 4.28Å; W369-E511 PolarHBondContact NE1-OE1 3.03Å; W369-P513 HydrophobicContact CD2-CG 4.34Å; W369-P513 HydrophobicContact CE3-CB 4.22Å; W369-P513 HydrophobicContact CE3-CG 4.1Å; W369-P513 HydrophobicContact CH2-CB 3.47Å; W369-P513 VanDerWaalsContact CH2-CB 3.47Å; W369-P513 HydrophobicContact CH2-CG 3.85Å; W369-P513 HydrophobicContact CZ2-CB 4.14Å; W369-P513 HydrophobicContact CZ2-CG 4.06Å; W369-P513 HydrophobicContact CZ3-CB 3.51Å; W369-P513 HydrophobicContact CZ3-CG 3.86Å; W369-V514 HydrophobicContact CH2-CG2 4.16Å; W369-V514 HydrophobicContact CZ2-CG2 4.09Å |
| 370 | Q | 93.1 | Very high | 90.2 | Very high | 121 Ų | 121 | 66.4 Ų | 66.4 | 57% | 0.565 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -84.6 | -36.9 | -178 | -64.7 | -61.2 | -28.9 | 0 | 0 | 113 | E366 E367 L368 | E366-Q370 HydrophobicContact CG-CG 4.39Å; E366-Q370 WeakPolarHBondContact O-CB 3.49Å; E366-Q370 VanDerWaalsContact O-CG 3.25Å; E366-Q370 WeakPolarHBondContact O-CG 3.47Å; E366-Q370 PolarHBondContact O-N 2.65Å; E366-Q370 WeakPolarHBondContact OE1-CG 3.39Å; E366-Q370 PolarHBondContact OE1-NE2 3.5Å; E367-Q370 PolarHBondContact O-N 2.9Å; L368-Q370 VanDerWaalsContact C-N 3.3Å; L368-Q370 PolarHBondContact O-N 3.27Å |
| 371 | E | 94.2 | Very high | 89.5 | Confident | 154 Ų | 154 | 67.9 Ų | 67.9 | 72% | 0.72 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -83.6 | -45.4 | -176.4 | -65.1 | -163.5 | 160.1 | 0 | 0 | 112.4 | E367 | E367-E371 HydrophobicContact CG-CG 4.42Å; E367-E371 WeakPolarHBondContact O-CB 3.34Å; E367-E371 WeakPolarHBondContact O-CG 3.34Å; E367-E371 PolarHBondContact O-N 3.35Å |
| 372 | D | 92.8 | Very high | 88.7 | Confident | 71 Ų | 71 | 70.2 Ų | 70.2 | 38% | 0.38 | 33% | 0.331 | S | S | . | . | trans | -145.4 | 82 | -179.5 | -162.1 | -23.2 | 0 | 0 | 0 | 112.1 | L368 Y374 E375 Y376 | L368-D372 CarbonylContact O-C 3.56Å; L368-D372 WeakPolarHBondContact O-CA 3.43Å; L368-D372 PolarHBondContact O-N 3.47Å; D372-Y374 PolarHBondContact O-N 3.18Å; D372-Y374 VanDerWaalsContact O-N 3.14Å; D372-Y374 PolarHBondContact OD1-N 2.84Å; D372-Y374 VanDerWaalsContact OD1-N 3.15Å; D372-E375 HydrophobicContact CB-CB 3.95Å; D372-E375 PolarHBondContact O-N 3.17Å; D372-E375 PolarHBondContact OD1-N 3.3Å; D372-E375 VanDerWaalsContact OD1-N 3.07Å; D372-Y376 PolarHBondContact O-N 3.31Å | ||
| 373 | P | 92.2 | Very high | 87.6 | Confident | 36 Ų | 36 | 72.6 Ų | 72.6 | 23% | 0.234 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.7 | -15.9 | 179 | 25.9 | -35.1 | 0 | 0 | 0 | 113.6 | I377 P513 | P373-I377 WeakPolarHBondContact O-CD1 3.26Å; P373-I377 VanDerWaalsContact O-CG1 3.27Å; P373-I377 WeakPolarHBondContact O-CG1 3.47Å; P373-I377 PolarHBondContact O-N 3.27Å; P373-P513 HydrophobicContact CB-CG 4.02Å |
| 374 | Y | 89.9 | Confident | 86.5 | Confident | 76 Ų | 76 | 74.5 Ų | 74.5 | 30% | 0.298 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -79.8 | -41.7 | 176.3 | -62.8 | -78.1 | 0 | 0 | 0 | 110.6 | D372 Y376 I377 R378 M512 E553 T554 | D372-Y374 PolarHBondContact O-N 3.18Å; D372-Y374 VanDerWaalsContact O-N 3.14Å; D372-Y374 PolarHBondContact OD1-N 2.84Å; D372-Y374 VanDerWaalsContact OD1-N 3.15Å; Y374-Y376 VanDerWaalsContact C-N 3.3Å; Y374-Y376 PolarHBondContact O-N 3.03Å; Y374-I377 WeakPolarHBondContact O-CB 3.35Å; Y374-I377 PolarHBondContact O-N 3.02Å; Y374-I377 VanDerWaalsContact O-N 3.14Å; Y374-R378 WeakPolarHBondContact O-CG 3.43Å; Y374-R378 PolarHBondContact O-N 3.48Å; Y374-M512 HydrophobicContact CD1-CG 4.4Å; Y374-M512 HydrophobicContact CE1-CB 4.34Å; Y374-M512 HydrophobicContact CE1-CE 4.09Å; Y374-M512 HydrophobicContact CE1-CG 3.89Å; Y374-E553 WeakPolarHBondContact CD1-O 3.36Å; Y374-E553 HydrophobicContact CE1-CB 3.82Å; Y374-E553 WeakPolarHBondContact CE1-O 3.42Å; Y374-T554 HydrophobicContact CD1-CG2 4.01Å; Y374-T554 HydrophobicContact CE1-CG2 4.11Å |
| 375 | E | 87.1 | Confident | 85.7 | Confident | 72 Ų | 72 | 73.3 Ų | 73.3 | 34% | 0.336 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.3 | -37.7 | 171.1 | -170.9 | 63.6 | -173 | 0 | 0 | 111.6 | L368 D372 I377 R378 M379 | L368-E375 HydrophobicContact CD1-CB 4.02Å; L368-E375 HydrophobicContact CD1-CG 3.98Å; D372-E375 HydrophobicContact CB-CB 3.95Å; D372-E375 PolarHBondContact O-N 3.17Å; D372-E375 PolarHBondContact OD1-N 3.3Å; D372-E375 VanDerWaalsContact OD1-N 3.07Å; E375-I377 VanDerWaalsContact C-N 3.26Å; E375-I377 PolarHBondContact O-N 3.01Å; E375-R378 PolarHBondContact O-N 3.37Å; E375-M379 HydrophobicContact CG-CG 4.34Å; E375-M379 HydrophobicContact CG-SD 4.49Å; E375-M379 WeakPolarHBondContact O-CG 3.45Å; E375-M379 PolarHBondContact O-N 2.97Å |
| 376 | Y | 90.2 | Very high | 84.8 | Confident | 24 Ų | 24 | 74.6 Ų | 74.6 | 9% | 0.094 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -54.7 | -42.6 | 171.2 | -178.7 | -89.2 | 0 | 0 | 0 | 112.4 | D365 L368 W369 D372 Y374 K380 P513 | D365-Y376 HydrophobicContact CB-CE2 4.34Å; L368-Y376 HydrophobicContact CB-CD2 4.45Å; L368-Y376 HydrophobicContact CD2-CD2 4.2Å; L368-Y376 HydrophobicContact CG-CD2 4.38Å; W369-Y376 HydrophobicContact CB-CD2 4.49Å; W369-Y376 AromaticContact CE3-CD1 3.73Å; W369-Y376 HydrophobicContact CE3-CD1 3.73Å; W369-Y376 HydrophobicContact CE3-CD2 4.2Å; W369-Y376 AromaticContact CE3-CE1 3.5Å; W369-Y376 HydrophobicContact CE3-CE1 3.5Å; W369-Y376 HydrophobicContact CE3-CE2 4Å; W369-Y376 HydrophobicContact CE3-CG 4.09Å; W369-Y376 AromaticContact CE3-CZ 3.65Å; W369-Y376 AromaticContact CZ3-CD1 3.97Å; W369-Y376 HydrophobicContact CZ3-CD1 3.97Å; W369-Y376 AromaticContact CZ3-CE1 3.46Å; W369-Y376 HydrophobicContact CZ3-CE1 3.46Å; W369-Y376 VanDerWaalsContact CZ3-CE1 3.46Å; W369-Y376 AromaticContact CZ3-CZ 3.86Å; D372-Y376 PolarHBondContact O-N 3.31Å; Y374-Y376 VanDerWaalsContact C-N 3.3Å; Y374-Y376 PolarHBondContact O-N 3.03Å; Y376-K380 HydrophobicContact CE1-CD 4.02Å; Y376-K380 VanDerWaalsContact O-CB 3.23Å; Y376-K380 WeakPolarHBondContact O-CB 3.38Å; Y376-K380 PolarHBondContact O-N 2.86Å; Y376-P513 HydrophobicContact CD1-CB 4.01Å; Y376-P513 HydrophobicContact CD1-CG 4.05Å; Y376-P513 HydrophobicContact CE1-CB 4.24Å |
| 377 | I | 89.2 | Confident | 83.8 | Confident | 2 Ų | 2 | 80.1 Ų | 80.1 | 1% | 0.01 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -67.1 | -49.4 | 177.4 | -66.1 | 163.8 | 0 | 0 | 0 | 109.3 | P373 Y374 E375 M379 K380 F381 M512 P513 V516 T554 N556 | P373-I377 WeakPolarHBondContact O-CD1 3.26Å; P373-I377 VanDerWaalsContact O-CG1 3.27Å; P373-I377 WeakPolarHBondContact O-CG1 3.47Å; P373-I377 PolarHBondContact O-N 3.27Å; Y374-I377 WeakPolarHBondContact O-CB 3.35Å; Y374-I377 PolarHBondContact O-N 3.02Å; Y374-I377 VanDerWaalsContact O-N 3.14Å; E375-I377 VanDerWaalsContact C-N 3.26Å; E375-I377 PolarHBondContact O-N 3.01Å; I377-M379 PolarHBondContact O-N 3.01Å; I377-K380 PolarHBondContact O-N 3.01Å; I377-K380 VanDerWaalsContact O-N 3.12Å; I377-F381 HydrophobicContact CG2-CD2 3.79Å; I377-F381 HydrophobicContact CG2-CE2 4.14Å; I377-F381 VanDerWaalsContact O-CD2 3.27Å; I377-F381 WeakPolarHBondContact O-CD2 3.3Å; I377-F381 PolarHBondContact O-N 3.29Å; I377-M512 HydrophobicContact CD1-CB 4.04Å; I377-M512 HydrophobicContact CD1-CG 3.67Å; I377-P513 HydrophobicContact CD1-CB 4.24Å; I377-P513 HydrophobicContact CD1-CG 4.04Å; I377-P513 HydrophobicContact CG1-CB 3.93Å; I377-P513 HydrophobicContact CG1-CG 3.95Å; I377-V516 HydrophobicContact CD1-CG2 4.02Å; I377-V516 HydrophobicContact CG2-CG2 4.4Å; I377-T554 HydrophobicContact CD1-CG2 3.8Å; I377-N556 HydrophobicContact CG2-CB 4.43Å |
| 378 | R | 84.3 | Confident | 83 | Confident | 116 Ų | 116 | 75.1 Ų | 75.1 | 44% | 0.438 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -56.1 | -51.4 | -180 | -71.3 | 175.2 | 177.1 | 174.7 | -5.6 | 112.1 | Y374 E375 K380 F381 D382 E555 | Y374-R378 WeakPolarHBondContact O-CG 3.43Å; Y374-R378 PolarHBondContact O-N 3.48Å; E375-R378 PolarHBondContact O-N 3.37Å; R378-K380 VanDerWaalsContact C-N 3.25Å; R378-K380 PolarHBondContact O-N 2.86Å; R378-F381 PolarHBondContact O-N 3.23Å; R378-D382 WeakPolarHBondContact O-CB 3.34Å; R378-D382 PolarHBondContact O-N 2.95Å; R378-E555 IonicContact CZ-OE2 2.58Å; R378-E555 IonicContact NH2-OE2 3.56Å; R378-E555 PolarHBondContact NH2-OE2 3.11Å |
| 379 | M | 83.2 | Confident | 82.9 | Confident | 84 Ų | 84 | 74.1 Ų | 74.1 | 41% | 0.414 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61 | -33.4 | 178 | -70.3 | -169.2 | 70.5 | 0 | 0 | 113.3 | L368 E375 I377 | L368-M379 HydrophobicContact CD2-CG 4.45Å; L368-M379 HydrophobicContact CD2-SD 3.52Å; L368-M379 VanDerWaalsContact CD2-SD 3.52Å; E375-M379 HydrophobicContact CG-CG 4.34Å; E375-M379 HydrophobicContact CG-SD 4.49Å; E375-M379 WeakPolarHBondContact O-CG 3.45Å; E375-M379 PolarHBondContact O-N 2.97Å; I377-M379 PolarHBondContact O-N 3.01Å |
| 380 | K | 82.9 | Confident | 82.8 | Confident | 60 Ų | 60 | 74.8 Ų | 74.8 | 26% | 0.261 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -75.6 | -32.8 | -178.5 | -174.4 | 178.7 | -177.1 | -175.8 | 0 | 113.2 | Y376 I377 R378 E517 | Y376-K380 HydrophobicContact CE1-CD 4.02Å; Y376-K380 VanDerWaalsContact O-CB 3.23Å; Y376-K380 WeakPolarHBondContact O-CB 3.38Å; Y376-K380 PolarHBondContact O-N 2.86Å; I377-K380 PolarHBondContact O-N 3.01Å; I377-K380 VanDerWaalsContact O-N 3.12Å; R378-K380 VanDerWaalsContact C-N 3.25Å; R378-K380 PolarHBondContact O-N 2.86Å; K380-E517 VanDerWaalsContact CE-OE1 3.3Å; K380-E517 WeakPolarHBondContact CE-OE1 3.38Å; K380-E517 IonicContact NZ-OE1 4Å; K380-E517 PolarHBondContact NZ-OE1 3.46Å |
| 381 | F | 79.3 | Confident | 82.8 | Confident | 48 Ų | 48 | 70.6 Ų | 70.6 | 21% | 0.211 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -102 | 6.7 | -178.7 | -68.9 | -83.2 | 0 | 0 | 0 | 112.6 | I377 R378 I383 V516 L520 N556 D558 | I377-F381 HydrophobicContact CG2-CD2 3.79Å; I377-F381 HydrophobicContact CG2-CE2 4.14Å; I377-F381 VanDerWaalsContact O-CD2 3.27Å; I377-F381 WeakPolarHBondContact O-CD2 3.3Å; I377-F381 PolarHBondContact O-N 3.29Å; R378-F381 PolarHBondContact O-N 3.23Å; F381-I383 PolarHBondContact O-N 2.76Å; F381-V516 HydrophobicContact CE2-CG1 3.66Å; F381-V516 HydrophobicContact CZ-CG1 3.7Å; F381-L520 HydrophobicContact CE1-CD1 3.52Å; F381-L520 HydrophobicContact CZ-CD1 3.69Å; F381-N556 WeakPolarHBondContact CB-ND2 3.35Å; F381-N556 WeakPolarHBondContact CG-ND2 2.95Å; F381-D558 WeakPolarHBondContact CD1-OD2 3.47Å |
| 382 | D | 75.8 | Confident | 82.7 | Confident | 57 Ų | 57 | 65 Ų | 65 | 31% | 0.305 | 31% | 0.31 | S | S | . | . | trans | -77.5 | 111.6 | 173 | -178 | -5.7 | 0 | 0 | 0 | 110.7 | R378 F384 E385 D386 | R378-D382 WeakPolarHBondContact O-CB 3.34Å; R378-D382 PolarHBondContact O-N 2.95Å; D382-F384 PolarHBondContact O-N 3.01Å; D382-F384 WeakPolarHBondContact OD1-CA 3.47Å; D382-F384 WeakPolarHBondContact OD1-CB 3.39Å; D382-F384 PolarHBondContact OD1-N 3.42Å; D382-E385 HydrophobicContact CB-CB 4.15Å; D382-E385 HydrophobicContact CB-CG 4.22Å; D382-E385 PolarHBondContact O-N 3.02Å; D382-D386 PolarHBondContact O-N 3Å | ||
| 383 | I | 68.6 | Low | 82.7 | Confident | 116 Ų | 116 | 61.9 Ų | 61.9 | 60% | 0.595 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -58.1 | -32.7 | 178.5 | -55.4 | 173.2 | 0 | 0 | 0 | 111.1 | F381 D386 Y387 | F381-I383 PolarHBondContact O-N 2.76Å; I383-D386 PolarHBondContact O-N 3.48Å; I383-Y387 HydrophobicContact CG2-CE2 4.08Å; I383-Y387 WeakPolarHBondContact O-CD2 3.43Å |
| 384 | F | 66.8 | Low | 82.9 | Confident | 145 Ų | 145 | 60.1 Ų | 60.1 | 64% | 0.636 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -75.1 | -31.9 | -178.9 | -63.2 | -70.9 | 0 | 0 | 0 | 113.2 | D382 D386 Y387 | D382-F384 PolarHBondContact O-N 3.01Å; D382-F384 WeakPolarHBondContact OD1-CA 3.47Å; D382-F384 WeakPolarHBondContact OD1-CB 3.39Å; D382-F384 PolarHBondContact OD1-N 3.42Å; F384-D386 VanDerWaalsContact C-N 3.29Å; F384-Y387 PolarHBondContact O-N 3.21Å |
| 385 | E | 70.7 | Confident | 83.1 | Confident | 86 Ų | 86 | 59.1 Ų | 59.1 | 40% | 0.402 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.3 | -31 | 173.8 | -82.7 | -64.6 | 159.9 | 0 | 0 | 111.5 | D382 Y387 A388 S389 | D382-E385 HydrophobicContact CB-CB 4.15Å; D382-E385 HydrophobicContact CB-CG 4.22Å; D382-E385 PolarHBondContact O-N 3.02Å; E385-Y387 PolarHBondContact O-N 3.25Å; E385-A388 CarbonylContact O-C 3.42Å; E385-A388 WeakPolarHBondContact O-CA 2.95Å; E385-A388 VanDerWaalsContact O-CB 3.27Å; E385-A388 WeakPolarHBondContact O-CB 3.42Å; E385-A388 PolarHBondContact O-N 3.42Å; E385-S389 WeakPolarHBondContact O-CB 3.2Å; E385-S389 PolarHBondContact O-N 3.4Å |
| 386 | D | 71.1 | Confident | 83.5 | Confident | 79 Ų | 79 | 58.6 Ų | 58.6 | 42% | 0.422 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.6 | -39.2 | 177 | -94.6 | -25.6 | 0 | 0 | 0 | 113.2 | D382 I383 F384 A388 S389 T392 | D382-D386 PolarHBondContact O-N 3Å; I383-D386 PolarHBondContact O-N 3.48Å; F384-D386 VanDerWaalsContact C-N 3.29Å; D386-A388 PolarHBondContact O-N 3.07Å; D386-A388 VanDerWaalsContact O-N 3.16Å; D386-S389 PolarHBondContact O-N 3.28Å; D386-T392 HydrophobicContact CB-CG2 4.36Å; D386-T392 PolarHBondContact OD1-OG1 3Å |
| 387 | Y | 70.8 | Confident | 83.8 | Confident | 167 Ų | 167 | 57.5 Ų | 57.5 | 66% | 0.655 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -16.6 | 173.3 | -66.5 | -74 | 0 | 0 | 0 | 113.3 | R321 Q324 I383 F384 E385 | R321-Y387 PolarHBondContact NH1-O 3.35Å; Q324-Y387 PolarHBondContact NE2-O 3.49Å; I383-Y387 HydrophobicContact CG2-CE2 4.08Å; I383-Y387 WeakPolarHBondContact O-CD2 3.43Å; F384-Y387 PolarHBondContact O-N 3.21Å; E385-Y387 PolarHBondContact O-N 3.25Å |
| 388 | A | 76.9 | Confident | 84.1 | Confident | 10 Ų | 10 | 57.4 Ų | 57.4 | 8% | 0.083 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -26.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | R321 E385 D386 | R321-A388 VanDerWaalsContact NH1-CA 3.33Å; E385-A388 CarbonylContact O-C 3.42Å; E385-A388 WeakPolarHBondContact O-CA 2.95Å; E385-A388 VanDerWaalsContact O-CB 3.27Å; E385-A388 WeakPolarHBondContact O-CB 3.42Å; E385-A388 PolarHBondContact O-N 3.42Å; D386-A388 PolarHBondContact O-N 3.07Å; D386-A388 VanDerWaalsContact O-N 3.16Å |
| 389 | S | 87.6 | Confident | 84.7 | Confident | 25 Ų | 25 | 54.1 Ų | 54.1 | 18% | 0.175 | 27% | 0.266 | C | S | . | . | trans | -70.9 | 124.4 | -163.6 | 178.1 | 0 | 0 | 0 | 0 | 112.5 | E385 D386 T391 T392 A393 | E385-S389 WeakPolarHBondContact O-CB 3.2Å; E385-S389 PolarHBondContact O-N 3.4Å; D386-S389 PolarHBondContact O-N 3.28Å; S389-T391 PolarHBondContact O-N 3.32Å; S389-T391 WeakPolarHBondContact OG-CB 3.45Å; S389-T391 PolarHBondContact OG-N 3Å; S389-T392 WeakPolarHBondContact CB-OG1 3.28Å; S389-T392 PolarHBondContact OG-N 3.33Å; S389-T392 PolarHBondContact OG-OG1 3.04Å; S389-A393 PolarHBondContact O-N 3.3Å | ||
| 390 | P | 92.3 | Very high | 85.2 | Confident | 22 Ų | 22 | 51.2 Ų | 51.2 | 14% | 0.143 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.8 | -28.2 | 167.8 | -19.2 | 31.2 | 0 | 0 | 0 | 112.4 | P320 L323 Q324 F327 V358 A394 | P320-P390 HydrophobicContact CB-CG 3.7Å; P320-P390 WeakPolarHBondContact O-CG 3.32Å; L323-P390 HydrophobicContact CB-CB 4.49Å; L323-P390 HydrophobicContact CD2-CB 4.21Å; L323-P390 HydrophobicContact CG-CB 4.41Å; Q324-P390 HydrophobicContact CB-CG 4.42Å; F327-P390 WeakPolarHBondContact CD2-O 3.44Å; V358-P390 HydrophobicContact CG1-CB 4.12Å; P390-A394 VanDerWaalsContact O-CB 3.22Å; P390-A394 WeakPolarHBondContact O-CB 3.19Å; P390-A394 PolarHBondContact O-N 3.21Å |
| 391 | T | 92.6 | Very high | 85.8 | Confident | 33 Ų | 33 | 48.4 Ų | 48.4 | 20% | 0.202 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.3 | -49.6 | -179.7 | -56.6 | 0 | 0 | 0 | 0 | 110.7 | V358 M359 S389 A393 A394 Q395 | V358-T391 PolarHBondContact O-OG1 3.49Å; M359-T391 HydrophobicContact CG-CG2 4.35Å; S389-T391 PolarHBondContact O-N 3.32Å; S389-T391 WeakPolarHBondContact OG-CB 3.45Å; S389-T391 PolarHBondContact OG-N 3Å; T391-A393 PolarHBondContact O-N 3.16Å; T391-A394 PolarHBondContact O-N 2.93Å; T391-Q395 WeakPolarHBondContact O-CB 3.36Å; T391-Q395 PolarHBondContact O-N 3.22Å |
| 392 | T | 91.9 | Very high | 86.5 | Confident | 35 Ų | 35 | 46.1 Ų | 46.1 | 22% | 0.215 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.1 | -44.6 | 177.4 | -48.6 | 0 | 0 | 0 | 0 | 110.5 | D386 S389 A394 Q395 T396 | D386-T392 HydrophobicContact CB-CG2 4.36Å; D386-T392 PolarHBondContact OD1-OG1 3Å; S389-T392 WeakPolarHBondContact CB-OG1 3.28Å; S389-T392 PolarHBondContact OG-N 3.33Å; S389-T392 PolarHBondContact OG-OG1 3.04Å; T392-A394 PolarHBondContact O-N 3.06Å; T392-Q395 WeakPolarHBondContact O-CB 3.31Å; T392-Q395 PolarHBondContact O-N 3.36Å; T392-T396 PolarHBondContact O-N 3.06Å; T392-T396 PolarHBondContact O-OG1 2.6Å; T392-T396 VanDerWaalsContact O-OG1 3.06Å |
| 393 | A | 94 | Very high | 87.3 | Confident | 6 Ų | 6 | 45.3 Ų | 45.3 | 5% | 0.05 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.8 | -37.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q324 F327 N328 S389 T391 L397 | Q324-A393 HydrophobicContact CB-CB 4.5Å; Q324-A393 HydrophobicContact CG-CB 3.82Å; F327-A393 HydrophobicContact CB-CB 3.89Å; F327-A393 HydrophobicContact CD2-CB 4.23Å; N328-A393 VanDerWaalsContact OD1-CB 3.31Å; N328-A393 WeakPolarHBondContact OD1-CB 3.43Å; S389-A393 PolarHBondContact O-N 3.3Å; T391-A393 PolarHBondContact O-N 3.16Å; A393-L397 WeakPolarHBondContact O-CB 3.47Å; A393-L397 PolarHBondContact O-N 3.03Å |
| 394 | A | 95.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.6 | -40.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F327 I355 V358 P390 T391 T392 L397 L398 | F327-A394 HydrophobicContact CD2-CB 3.78Å; F327-A394 HydrophobicContact CE2-CB 3.63Å; F327-A394 HydrophobicContact CG-CB 4.41Å; F327-A394 HydrophobicContact CZ-CB 4.15Å; I355-A394 HydrophobicContact CB-CB 4.49Å; I355-A394 HydrophobicContact CG1-CB 4.33Å; I355-A394 HydrophobicContact CG2-CB 4.13Å; V358-A394 HydrophobicContact CG1-CB 4.3Å; P390-A394 VanDerWaalsContact O-CB 3.22Å; P390-A394 WeakPolarHBondContact O-CB 3.19Å; P390-A394 PolarHBondContact O-N 3.21Å; T391-A394 PolarHBondContact O-N 2.93Å; T392-A394 PolarHBondContact O-N 3.06Å; A394-L397 PolarHBondContact O-N 2.93Å; A394-L398 WeakPolarHBondContact O-CB 3.36Å; A394-L398 PolarHBondContact O-N 3.48Å |
| 395 | Q | 94.5 | Very high | 89.5 | Confident | 54 Ų | 54 | 36 Ų | 36 | 25% | 0.252 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -59.7 | -50.2 | 174.2 | 176.1 | 177.8 | -27.9 | 0 | 0 | 111 | M359 T391 T392 L397 L398 Y399 S439 | M359-Q395 HydrophobicContact CE-CB 4.18Å; M359-Q395 HydrophobicContact CE-CG 4.39Å; T391-Q395 WeakPolarHBondContact O-CB 3.36Å; T391-Q395 PolarHBondContact O-N 3.22Å; T392-Q395 WeakPolarHBondContact O-CB 3.31Å; T392-Q395 PolarHBondContact O-N 3.36Å; Q395-L397 PolarHBondContact O-N 3.3Å; Q395-L398 PolarHBondContact O-N 2.9Å; Q395-L398 VanDerWaalsContact O-N 3.17Å; Q395-Y399 WeakPolarHBondContact O-CB 3.45Å; Q395-Y399 PolarHBondContact O-N 3.4Å; Q395-S439 VanDerWaalsContact CD-OG 3.23Å; Q395-S439 WeakPolarHBondContact CG-OG 3.46Å; Q395-S439 PolarHBondContact OE1-OG 3.01Å |
| 396 | T | 95.1 | Very high | 90.3 | Very high | 61 Ų | 61 | 37.7 Ų | 37.7 | 37% | 0.374 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.1 | -43.1 | 178.6 | -53.5 | 0 | 0 | 0 | 0 | 111.8 | N331 T392 L398 Y399 T400 | N331-T396 PolarHBondContact OD1-O 2.93Å; T392-T396 PolarHBondContact O-N 3.06Å; T392-T396 PolarHBondContact O-OG1 2.6Å; T392-T396 VanDerWaalsContact O-OG1 3.06Å; T396-L398 VanDerWaalsContact C-N 3.34Å; T396-L398 PolarHBondContact O-N 3.05Å; T396-Y399 PolarHBondContact O-N 3.25Å; T396-T400 WeakPolarHBondContact O-CB 3.45Å; T396-T400 PolarHBondContact O-N 3.04Å; T396-T400 PolarHBondContact O-OG1 2.99Å |
| 397 | L | 96.2 | Very high | 91 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.7 | -45.7 | 174.4 | 171.3 | 59.7 | 0 | 0 | 0 | 111.8 | F327 L330 N331 V334 I355 A393 A394 Q395 A401 | F327-L397 HydrophobicContact CB-CD2 4.29Å; F327-L397 HydrophobicContact CD1-CD2 3.77Å; F327-L397 HydrophobicContact CG-CD2 4.38Å; L330-L397 HydrophobicContact CB-CD1 4.05Å; L330-L397 HydrophobicContact CB-CD2 4.03Å; L330-L397 HydrophobicContact CD1-CD2 4.41Å; N331-L397 HydrophobicContact CB-CB 4.36Å; N331-L397 HydrophobicContact CB-CD1 4.2Å; N331-L397 WeakPolarHBondContact OD1-CA 3.31Å; V334-L397 HydrophobicContact CG2-CD1 3.61Å; I355-L397 HydrophobicContact CD1-CD2 3.88Å; I355-L397 HydrophobicContact CD1-CG 4.03Å; A393-L397 WeakPolarHBondContact O-CB 3.47Å; A393-L397 PolarHBondContact O-N 3.03Å; A394-L397 PolarHBondContact O-N 2.93Å; Q395-L397 PolarHBondContact O-N 3.3Å; L397-A401 WeakPolarHBondContact O-CB 3.37Å; L397-A401 PolarHBondContact O-N 3.36Å |
| 398 | L | 96.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.4 | -45 | 179.1 | -177.6 | 60.7 | 0 | 0 | 0 | 111.8 | I355 M359 A394 Q395 T396 A401 A402 V408 M412 V436 L440 | I355-L398 HydrophobicContact CD1-CB 4.35Å; I355-L398 HydrophobicContact CG2-CB 4.11Å; I355-L398 HydrophobicContact CG2-CD2 4.11Å; M359-L398 HydrophobicContact SD-CD2 4.38Å; A394-L398 WeakPolarHBondContact O-CB 3.36Å; A394-L398 PolarHBondContact O-N 3.48Å; Q395-L398 PolarHBondContact O-N 2.9Å; Q395-L398 VanDerWaalsContact O-N 3.17Å; T396-L398 VanDerWaalsContact C-N 3.34Å; T396-L398 PolarHBondContact O-N 3.05Å; L398-A401 PolarHBondContact O-N 3.49Å; L398-A402 VanDerWaalsContact O-CB 3.24Å; L398-A402 WeakPolarHBondContact O-CB 2.82Å; L398-A402 PolarHBondContact O-N 3.44Å; L398-V408 HydrophobicContact CD1-CG1 4.23Å; L398-M412 HydrophobicContact CD1-CG 4.22Å; L398-M412 HydrophobicContact CD2-CE 4.19Å; L398-M412 HydrophobicContact CD2-CG 4.35Å; L398-V436 HydrophobicContact CD2-CB 4.48Å; L398-V436 HydrophobicContact CD2-CG1 3.81Å; L398-V436 HydrophobicContact CD2-CG2 4.11Å; L398-L440 HydrophobicContact CD2-CD1 4.32Å; L398-L440 HydrophobicContact CG-CD1 4.45Å; L398-L440 HydrophobicContact CG-CD2 4.44Å |
| 399 | Y | 95.8 | Very high | 92.9 | Very high | 46 Ų | 46 | 29.9 Ų | 29.9 | 18% | 0.18 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.8 | -52.5 | 177.4 | 179.5 | -84 | 0 | 0 | 0 | 110.8 | Q395 T396 A401 A402 K403 L440 E442 I443 | Q395-Y399 WeakPolarHBondContact O-CB 3.45Å; Q395-Y399 PolarHBondContact O-N 3.4Å; T396-Y399 PolarHBondContact O-N 3.25Å; Y399-A401 VanDerWaalsContact C-N 3.34Å; Y399-A401 PolarHBondContact O-N 3Å; Y399-A402 PolarHBondContact O-N 3.28Å; Y399-A402 VanDerWaalsContact O-N 3.17Å; Y399-K403 HydrophobicContact CE1-CD 3.78Å; Y399-K403 WeakPolarHBondContact O-CB 3.47Å; Y399-K403 PolarHBondContact O-N 2.8Å; Y399-L440 HydrophobicContact CD2-CD2 4.44Å; Y399-E442 PolarHBondContact OH-OE2 3.34Å; Y399-I443 HydrophobicContact CD1-CD1 4.35Å; Y399-I443 HydrophobicContact CD2-CD1 3.59Å; Y399-I443 HydrophobicContact CD2-CG1 4.16Å; Y399-I443 HydrophobicContact CE1-CD1 4.3Å; Y399-I443 HydrophobicContact CE2-CD1 3.58Å; Y399-I443 HydrophobicContact CE2-CG1 3.64Å; Y399-I443 HydrophobicContact CG-CD1 3.99Å |
| 400 | T | 94.7 | Very high | 93.2 | Very high | 24 Ų | 24 | 31.6 Ų | 31.6 | 15% | 0.147 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.1 | -43 | 178.8 | -57.3 | 0 | 0 | 0 | 0 | 111.7 | N331 V334 V335 T396 K403 K404 | N331-T400 WeakPolarHBondContact OD1-CB 3.38Å; N331-T400 WeakPolarHBondContact OD1-CG2 3.42Å; N331-T400 PolarHBondContact OD1-OG1 3.44Å; V334-T400 HydrophobicContact CB-CG2 4.15Å; V334-T400 HydrophobicContact CG1-CG2 4.04Å; V335-T400 HydrophobicContact CG2-CG2 4.4Å; T396-T400 WeakPolarHBondContact O-CB 3.45Å; T396-T400 PolarHBondContact O-N 3.04Å; T396-T400 PolarHBondContact O-OG1 2.99Å; T400-K403 PolarHBondContact O-N 3.49Å; T400-K404 HydrophobicContact CG2-CG 4.3Å; T400-K404 WeakPolarHBondContact O-CB 3.4Å; T400-K404 PolarHBondContact O-N 3.28Å |
| 401 | A | 95.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.7 | -42 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | V334 I347 L397 L398 Y399 R405 V408 | V334-A401 HydrophobicContact CG1-CB 4.3Å; V334-A401 HydrophobicContact CG2-CB 4.23Å; I347-A401 HydrophobicContact CD1-CB 4.47Å; L397-A401 WeakPolarHBondContact O-CB 3.37Å; L397-A401 PolarHBondContact O-N 3.36Å; L398-A401 PolarHBondContact O-N 3.49Å; Y399-A401 VanDerWaalsContact C-N 3.34Å; Y399-A401 PolarHBondContact O-N 3Å; A401-R405 WeakPolarHBondContact O-CA 3.48Å; A401-R405 VanDerWaalsContact O-CB 3.25Å; A401-R405 WeakPolarHBondContact O-CB 3.38Å; A401-R405 PolarHBondContact O-N 2.92Å; A401-V408 HydrophobicContact CB-CB 4.49Å; A401-V408 HydrophobicContact CB-CG1 4Å; A401-V408 HydrophobicContact CB-CG2 4.24Å |
| 402 | A | 94.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.5 | -37.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L398 Y399 L409 L440 I443 | L398-A402 VanDerWaalsContact O-CB 3.24Å; L398-A402 WeakPolarHBondContact O-CB 2.82Å; L398-A402 PolarHBondContact O-N 3.44Å; Y399-A402 PolarHBondContact O-N 3.28Å; Y399-A402 VanDerWaalsContact O-N 3.17Å; A402-L409 HydrophobicContact CB-CB 4.05Å; A402-L409 HydrophobicContact CB-CD1 4.21Å; A402-L440 HydrophobicContact CB-CD2 3.73Å; A402-I443 HydrophobicContact CB-CD1 4.08Å |
| 403 | K | 92.6 | Very high | 93.6 | Very high | 40 Ų | 40 | 32.2 Ų | 32.2 | 17% | 0.174 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -69.2 | -51.9 | 177.3 | -169.9 | 173.5 | -175.3 | 175.6 | 0 | 110.7 | Y399 T400 I443 E897 | Y399-K403 HydrophobicContact CE1-CD 3.78Å; Y399-K403 WeakPolarHBondContact O-CB 3.47Å; Y399-K403 PolarHBondContact O-N 2.8Å; T400-K403 PolarHBondContact O-N 3.49Å; K403-I443 HydrophobicContact CB-CD1 3.87Å; K403-E897 IonicContact NZ-OE1 3.14Å; K403-E897 PolarHBondContact NZ-OE1 2.98Å; K403-E897 IonicContact NZ-OE2 3.4Å; K403-E897 PolarHBondContact NZ-OE2 3.31Å |
| 404 | K | 90.4 | Very high | 93.6 | Very high | 53 Ų | 53 | 34.4 Ų | 34.4 | 23% | 0.23 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -87.6 | -24.3 | -171.3 | -61.9 | -67.3 | -174.4 | 179.6 | 0 | 114.5 | V334 T400 I901 | V334-K404 HydrophobicContact CG1-CB 4.34Å; T400-K404 HydrophobicContact CG2-CG 4.3Å; T400-K404 WeakPolarHBondContact O-CB 3.4Å; T400-K404 PolarHBondContact O-N 3.28Å; K404-I901 HydrophobicContact CB-CD1 4.48Å; K404-I901 HydrophobicContact CD-CD1 4.32Å |
| 405 | R | 91.3 | Very high | 93.6 | Very high | 13 Ų | 13 | 36.4 Ų | 36.4 | 5% | 0.049 | 18% | 0.184 | C | C | . | . | trans | -123.2 | 107.5 | -172 | -53.6 | -64.7 | -173.2 | -172.3 | -1.6 | 112.1 | V334 V335 H336 W340 A401 E407 V408 | V334-R405 HydrophobicContact CG1-CG 3.96Å; V334-R405 PolarHBondContact O-NE 3.32Å; V334-R405 PolarHBondContact O-NH2 2.93Å; V335-R405 PolarHBondContact O-NH2 3.06Å; H336-R405 PolarHBondContact O-NH2 3.31Å; W340-R405 VanDerWaalsContact CB-NH2 3.32Å; W340-R405 HydrophobicContact CD2-CG 3.89Å; W340-R405 VanDerWaalsContact CD2-NE 3.34Å; W340-R405 VanDerWaalsContact CE2-CD 3.48Å; W340-R405 HydrophobicContact CE3-CG 3.87Å; W340-R405 VanDerWaalsContact CG-CZ 3.41Å; W340-R405 VanDerWaalsContact CG-NE 3.33Å; W340-R405 HydrophobicContact CH2-CB 3.68Å; W340-R405 HydrophobicContact CH2-CG 3.61Å; W340-R405 HydrophobicContact CZ2-CB 3.62Å; W340-R405 HydrophobicContact CZ2-CG 3.62Å; W340-R405 HydrophobicContact CZ3-CB 4.29Å; W340-R405 HydrophobicContact CZ3-CG 3.74Å; A401-R405 WeakPolarHBondContact O-CA 3.48Å; A401-R405 VanDerWaalsContact O-CB 3.25Å; A401-R405 WeakPolarHBondContact O-CB 3.38Å; A401-R405 PolarHBondContact O-N 2.92Å; R405-E407 VanDerWaalsContact C-N 3.26Å; R405-E407 PolarHBondContact O-N 3.24Å; R405-V408 HydrophobicContact CB-CG2 3.96Å; R405-V408 PolarHBondContact O-N 3.36Å; R405-V408 VanDerWaalsContact O-N 3.07Å | ||
| 406 | K | 86.6 | Confident | 93.6 | Very high | 120 Ų | 120 | 33.9 Ų | 33.9 | 52% | 0.522 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -33.6 | -171.1 | -68.6 | -178.1 | 172 | -178.7 | 0 | 116.2 | P410 E900 | K406-P410 WeakPolarHBondContact O-CD 3.46Å; K406-E900 WeakPolarHBondContact CE-OE2 3.48Å; K406-E900 IonicContact NZ-OE2 2.62Å; K406-E900 PolarHBondContact NZ-OE2 2.99Å |
| 407 | E | 86.8 | Confident | 93.5 | Very high | 84 Ų | 84 | 37.5 Ų | 37.5 | 39% | 0.393 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -19.1 | -175.8 | -66.3 | -176.4 | -145 | 0 | 0 | 114.3 | K344 R405 K411 | K344-E407 VanDerWaalsContact CE-OE1 3.25Å; K344-E407 WeakPolarHBondContact CE-OE1 3.49Å; K344-E407 IonicContact NZ-OE1 3.87Å; K344-E407 PolarHBondContact NZ-OE1 3.45Å; R405-E407 VanDerWaalsContact C-N 3.26Å; R405-E407 PolarHBondContact O-N 3.24Å; E407-K411 WeakPolarHBondContact O-CD 3.49Å; E407-K411 VanDerWaalsContact O-CG 3.3Å; E407-K411 WeakPolarHBondContact O-CG 3.43Å; E407-K411 IonicContact OE2-NZ 2.98Å; E407-K411 PolarHBondContact OE2-NZ 3.29Å |
| 408 | V | 93.6 | Very high | 93.4 | Very high | 6 Ų | 6 | 43.3 Ų | 43.3 | 4% | 0.036 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -74.8 | -51.5 | -170.2 | 178.3 | 0 | 0 | 0 | 0 | 110.7 | W340 I347 L398 A401 R405 K411 M412 | W340-V408 HydrophobicContact CH2-CG2 3.87Å; I347-V408 HydrophobicContact CG1-CG2 3.98Å; I347-V408 HydrophobicContact CG2-CG2 4.4Å; L398-V408 HydrophobicContact CD1-CG1 4.23Å; A401-V408 HydrophobicContact CB-CB 4.49Å; A401-V408 HydrophobicContact CB-CG1 4Å; A401-V408 HydrophobicContact CB-CG2 4.24Å; R405-V408 HydrophobicContact CB-CG2 3.96Å; R405-V408 PolarHBondContact O-N 3.36Å; R405-V408 VanDerWaalsContact O-N 3.07Å; V408-K411 PolarHBondContact O-N 2.92Å; V408-M412 WeakPolarHBondContact O-CB 3.41Å; V408-M412 PolarHBondContact O-N 3.32Å |
| 409 | L | 93.8 | Very high | 93.3 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.7 | -51.9 | -176.3 | 179 | 68.6 | 0 | 0 | 0 | 112.9 | A402 K411 M412 M413 L440 I443 L444 K447 F450 | A402-L409 HydrophobicContact CB-CB 4.05Å; A402-L409 HydrophobicContact CB-CD1 4.21Å; L409-K411 VanDerWaalsContact C-N 3.34Å; L409-K411 PolarHBondContact O-N 2.88Å; L409-M412 PolarHBondContact O-N 2.92Å; L409-M413 HydrophobicContact CD1-CG 3.96Å; L409-M413 HydrophobicContact CD1-SD 4.44Å; L409-M413 HydrophobicContact CG-CG 4.37Å; L409-M413 VanDerWaalsContact O-CG 3.29Å; L409-M413 WeakPolarHBondContact O-CG 3.47Å; L409-M413 PolarHBondContact O-N 3.3Å; L409-L440 HydrophobicContact CD1-CD1 3.96Å; L409-I443 HydrophobicContact CD2-CG2 3.84Å; L409-L444 HydrophobicContact CD1-CD2 4Å; L409-L444 HydrophobicContact CD2-CD2 4.47Å; L409-K447 HydrophobicContact CD2-CD 3.7Å; L409-F450 HydrophobicContact CD2-CD2 4.03Å; L409-F450 HydrophobicContact CD2-CE2 3.69Å; L409-F450 HydrophobicContact CG-CE2 3.98Å; L409-F450 HydrophobicContact CG-CZ 4.41Å |
| 410 | P | 93.3 | Very high | 93.2 | Very high | 62 Ų | 62 | 42 Ų | 42 | 40% | 0.403 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63.3 | -36.7 | -178.2 | -22.6 | 35.1 | 0 | 0 | 0 | 113.8 | K406 A414 F450 | K406-P410 WeakPolarHBondContact O-CD 3.46Å; P410-A414 WeakPolarHBondContact O-CB 3.39Å; P410-A414 PolarHBondContact O-N 2.87Å; P410-F450 HydrophobicContact CB-CZ 4.47Å; P410-F450 HydrophobicContact CG-CZ 4.48Å |
| 411 | K | 94.2 | Very high | 92.9 | Very high | 79 Ų | 79 | 44 Ų | 44 | 34% | 0.343 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67.5 | -45.8 | 178.2 | -69 | 177.7 | -169.2 | 170.2 | 0 | 110.8 | E407 V408 L409 M413 A414 F415 | E407-K411 WeakPolarHBondContact O-CD 3.49Å; E407-K411 VanDerWaalsContact O-CG 3.3Å; E407-K411 WeakPolarHBondContact O-CG 3.43Å; E407-K411 IonicContact OE2-NZ 2.98Å; E407-K411 PolarHBondContact OE2-NZ 3.29Å; V408-K411 PolarHBondContact O-N 2.92Å; L409-K411 VanDerWaalsContact C-N 3.34Å; L409-K411 PolarHBondContact O-N 2.88Å; K411-M413 PolarHBondContact O-N 3.37Å; K411-A414 PolarHBondContact O-N 2.97Å; K411-F415 PolarHBondContact O-N 2.86Å |
| 412 | M | 95.7 | Very high | 92.7 | Very high | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.015 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.2 | -41.7 | 179 | -167.1 | 62.8 | -177.1 | 0 | 0 | 112.1 | F356 L398 V408 L409 A414 F415 C416 V436 | F356-M412 HydrophobicContact CB-CE 4.2Å; F356-M412 HydrophobicContact CD2-CE 4.02Å; L398-M412 HydrophobicContact CD1-CG 4.22Å; L398-M412 HydrophobicContact CD2-CE 4.19Å; L398-M412 HydrophobicContact CD2-CG 4.35Å; V408-M412 WeakPolarHBondContact O-CB 3.41Å; V408-M412 PolarHBondContact O-N 3.32Å; L409-M412 PolarHBondContact O-N 2.92Å; M412-A414 PolarHBondContact O-N 3.22Å; M412-F415 HydrophobicContact CE-CD1 4.4Å; M412-F415 PolarHBondContact O-N 3.06Å; M412-F415 HydrophobicContact SD-CD1 4.37Å; M412-C416 PolarHBondContact O-N 2.69Å; M412-C416 PolarHBondContact O-SG 3.43Å; M412-V436 HydrophobicContact CE-CB 4.17Å; M412-V436 HydrophobicContact CE-CG1 3.64Å; M412-V436 HydrophobicContact CE-CG2 3.56Å; M412-V436 HydrophobicContact CG-CG1 3.78Å |
| 413 | M | 94.8 | Very high | 92 | Very high | 21 Ų | 21 | 51.3 Ų | 51.3 | 10% | 0.103 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.5 | -39.6 | 176 | -68.2 | -52.7 | -62.1 | 0 | 0 | 112.2 | L409 K411 F415 C416 Y417 I437 L444 F450 | L409-M413 HydrophobicContact CD1-CG 3.96Å; L409-M413 HydrophobicContact CD1-SD 4.44Å; L409-M413 HydrophobicContact CG-CG 4.37Å; L409-M413 VanDerWaalsContact O-CG 3.29Å; L409-M413 WeakPolarHBondContact O-CG 3.47Å; L409-M413 PolarHBondContact O-N 3.3Å; K411-M413 PolarHBondContact O-N 3.37Å; M413-F415 VanDerWaalsContact C-N 3.34Å; M413-C416 PolarHBondContact O-N 3.01Å; M413-Y417 VanDerWaalsContact O-CB 3.27Å; M413-Y417 WeakPolarHBondContact O-CB 3.45Å; M413-Y417 PolarHBondContact O-N 2.91Å; M413-I437 HydrophobicContact CE-CD1 4.13Å; M413-I437 HydrophobicContact CE-CG1 3.82Å; M413-I437 HydrophobicContact CE-CG2 4.25Å; M413-I437 HydrophobicContact SD-CG1 4.12Å; M413-L444 HydrophobicContact CE-CD1 4.01Å; M413-L444 HydrophobicContact CE-CD2 4.09Å; M413-L444 HydrophobicContact CG-CD2 4.09Å; M413-L444 HydrophobicContact SD-CD1 3.99Å; M413-L444 HydrophobicContact SD-CD2 3.93Å; M413-F450 HydrophobicContact CB-CE1 4.1Å; M413-F450 HydrophobicContact CG-CE1 4.07Å; M413-F450 HydrophobicContact CG-CZ 4.34Å |
| 414 | A | 94.3 | Very high | 91.7 | Very high | 51 Ų | 51 | 56.1 Ų | 56.1 | 42% | 0.421 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63 | -41.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | P410 K411 M412 Y417 Q418 | P410-A414 WeakPolarHBondContact O-CB 3.39Å; P410-A414 PolarHBondContact O-N 2.87Å; K411-A414 PolarHBondContact O-N 2.97Å; M412-A414 PolarHBondContact O-N 3.22Å; A414-Y417 PolarHBondContact O-N 2.88Å; A414-Q418 WeakPolarHBondContact O-CG 3.35Å; A414-Q418 PolarHBondContact O-N 3.42Å; A414-Q418 VanDerWaalsContact O-N 3.12Å |
| 415 | F | 95.6 | Very high | 91.5 | Very high | 43 Ų | 43 | 56.8 Ų | 56.8 | 19% | 0.189 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.6 | -50.5 | 175.3 | 177.8 | -106.6 | 0 | 0 | 0 | 112 | E352 F356 K411 M412 M413 Y417 Q418 I419 | E352-F415 HydrophobicContact CB-CD2 4.4Å; E352-F415 HydrophobicContact CB-CE1 4.31Å; E352-F415 HydrophobicContact CB-CE2 4.17Å; E352-F415 HydrophobicContact CB-CZ 4.1Å; E352-F415 HydrophobicContact CG-CB 4.32Å; E352-F415 HydrophobicContact CG-CD1 4.13Å; E352-F415 HydrophobicContact CG-CD2 3.94Å; E352-F415 HydrophobicContact CG-CE1 4.39Å; E352-F415 HydrophobicContact CG-CE2 4.23Å; E352-F415 HydrophobicContact CG-CG 3.88Å; E352-F415 HydrophobicContact CG-CZ 4.43Å; F356-F415 HydrophobicContact CB-CE1 4.24Å; F356-F415 AromaticContact CD1-CE1 3.83Å; F356-F415 HydrophobicContact CD1-CE1 3.83Å; F356-F415 HydrophobicContact CD1-CZ 4.19Å; F356-F415 HydrophobicContact CD2-CD1 4.44Å; F356-F415 AromaticContact CD2-CE1 3.8Å; F356-F415 HydrophobicContact CD2-CE1 3.8Å; F356-F415 HydrophobicContact CE1-CE1 4.12Å; F356-F415 HydrophobicContact CE1-CZ 4.41Å; F356-F415 HydrophobicContact CE2-CE1 4.07Å; F356-F415 AromaticContact CG-CE1 3.68Å; F356-F415 HydrophobicContact CG-CE1 3.68Å; F356-F415 HydrophobicContact CG-CZ 4.44Å; F356-F415 HydrophobicContact CZ-CE1 4.24Å; K411-F415 PolarHBondContact O-N 2.86Å; M412-F415 HydrophobicContact CE-CD1 4.4Å; M412-F415 PolarHBondContact O-N 3.06Å; M412-F415 HydrophobicContact SD-CD1 4.37Å; M413-F415 VanDerWaalsContact C-N 3.34Å; F415-Y417 VanDerWaalsContact C-N 3.3Å; F415-Y417 PolarHBondContact O-N 3.44Å; F415-Q418 WeakPolarHBondContact O-CB 3.47Å; F415-Q418 PolarHBondContact O-N 3.49Å; F415-I419 HydrophobicContact CD1-CD1 4.04Å; F415-I419 HydrophobicContact CE1-CD1 3.54Å; F415-I419 HydrophobicContact CE2-CD1 4.24Å; F415-I419 HydrophobicContact CZ-CD1 3.67Å; F415-I419 PolarHBondContact O-N 3.3Å |
| 416 | C | 95.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.4 | -39.2 | 178 | -63.3 | 0 | 0 | 0 | 0 | 111.9 | M412 M413 Q418 I419 L420 A433 I437 | M412-C416 PolarHBondContact O-N 2.69Å; M412-C416 PolarHBondContact O-SG 3.43Å; M413-C416 PolarHBondContact O-N 3.01Å; C416-Q418 PolarHBondContact O-N 3.37Å; C416-I419 PolarHBondContact O-N 2.89Å; C416-L420 WeakPolarHBondContact O-CG 3.48Å; C416-L420 PolarHBondContact O-N 3.5Å; C416-A433 HydrophobicContact CB-CB 4.1Å; C416-I437 HydrophobicContact CB-CD1 3.9Å; C416-I437 HydrophobicContact CB-CG1 4.08Å |
| 417 | Y | 92.9 | Very high | 91.6 | Very high | 137 Ų | 137 | 56.6 Ų | 56.6 | 54% | 0.537 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63 | -39.1 | 177.1 | -176.2 | -101 | 0 | 0 | 0 | 112.6 | M413 A414 F415 I419 L420 T421 H461 | M413-Y417 VanDerWaalsContact O-CB 3.27Å; M413-Y417 WeakPolarHBondContact O-CB 3.45Å; M413-Y417 PolarHBondContact O-N 2.91Å; A414-Y417 PolarHBondContact O-N 2.88Å; F415-Y417 VanDerWaalsContact C-N 3.3Å; F415-Y417 PolarHBondContact O-N 3.44Å; Y417-I419 VanDerWaalsContact C-N 3.31Å; Y417-I419 PolarHBondContact O-N 2.96Å; Y417-L420 PolarHBondContact O-N 3.29Å; Y417-T421 HydrophobicContact CD1-CG2 4.23Å; Y417-T421 HydrophobicContact CD2-CG2 4.23Å; Y417-T421 HydrophobicContact CE1-CG2 3.79Å; Y417-T421 HydrophobicContact CE2-CG2 3.79Å; Y417-T421 HydrophobicContact CG-CG2 4.44Å; Y417-T421 WeakPolarHBondContact O-CB 3.26Å; Y417-T421 WeakPolarHBondContact O-CG2 3.4Å; Y417-T421 PolarHBondContact O-N 3.02Å; Y417-T421 VanDerWaalsContact O-N 3.08Å; Y417-T421 PolarHBondContact O-OG1 3.42Å; Y417-H461 AromaticContact CE2-NE2 3.99Å |
| 418 | Q | 94.1 | Very high | 91.9 | Very high | 124 Ų | 124 | 55.3 Ų | 55.3 | 58% | 0.579 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -61.1 | -41.2 | 174.3 | -72.9 | 176.2 | 10 | 0 | 0 | 111.7 | A414 F415 C416 T421 D422 | A414-Q418 WeakPolarHBondContact O-CG 3.35Å; A414-Q418 PolarHBondContact O-N 3.42Å; A414-Q418 VanDerWaalsContact O-N 3.12Å; F415-Q418 WeakPolarHBondContact O-CB 3.47Å; F415-Q418 PolarHBondContact O-N 3.49Å; C416-Q418 PolarHBondContact O-N 3.37Å; Q418-T421 PolarHBondContact O-OG1 3.3Å; Q418-D422 PolarHBondContact O-N 3.41Å |
| 419 | I | 94.2 | Very high | 91.9 | Very high | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.6 | -41.6 | 179.4 | -65.6 | 175.9 | 0 | 0 | 0 | 111.7 | F356 F415 C416 Y417 F425 K429 K430 A433 | F356-I419 HydrophobicContact CE1-CD1 3.75Å; F356-I419 HydrophobicContact CE2-CD1 3.9Å; F356-I419 HydrophobicContact CZ-CD1 3.31Å; F415-I419 HydrophobicContact CD1-CD1 4.04Å; F415-I419 HydrophobicContact CE1-CD1 3.54Å; F415-I419 HydrophobicContact CE2-CD1 4.24Å; F415-I419 HydrophobicContact CZ-CD1 3.67Å; F415-I419 PolarHBondContact O-N 3.3Å; C416-I419 PolarHBondContact O-N 2.89Å; Y417-I419 VanDerWaalsContact C-N 3.31Å; Y417-I419 PolarHBondContact O-N 2.96Å; I419-F425 HydrophobicContact CB-CD2 4.39Å; I419-F425 HydrophobicContact CG1-CD2 4.49Å; I419-F425 HydrophobicContact CG1-CE2 4.37Å; I419-F425 HydrophobicContact CG1-CZ 4.5Å; I419-F425 HydrophobicContact CG2-CB 4.39Å; I419-F425 HydrophobicContact CG2-CD2 4.43Å; I419-F425 HydrophobicContact CG2-CG 4.37Å; I419-K429 HydrophobicContact CG2-CB 3.88Å; I419-K429 WeakPolarHBondContact CG2-O 3.38Å; I419-K430 HydrophobicContact CG2-CG 4.47Å; I419-A433 HydrophobicContact CB-CB 4.36Å; I419-A433 HydrophobicContact CG2-CB 4.13Å |
| 420 | L | 92.6 | Very high | 91.9 | Very high | 14 Ų | 14 | 61.1 Ų | 61.1 | 7% | 0.073 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -74.4 | -25.4 | -177.9 | -68.3 | 174.8 | 0 | 0 | 0 | 113.6 | C416 Y417 K430 A433 L434 I437 F457 | C416-L420 WeakPolarHBondContact O-CG 3.48Å; C416-L420 PolarHBondContact O-N 3.5Å; Y417-L420 PolarHBondContact O-N 3.29Å; L420-K430 HydrophobicContact CD2-CB 4.26Å; L420-A433 HydrophobicContact CD1-CB 4.39Å; L420-A433 HydrophobicContact CD2-CB 3.99Å; L420-A433 HydrophobicContact CG-CB 3.93Å; L420-L434 HydrophobicContact CD1-CD2 4.49Å; L420-L434 HydrophobicContact CD2-CD2 4.28Å; L420-L434 HydrophobicContact CD2-CG 4.4Å; L420-I437 HydrophobicContact CD1-CD1 3.69Å; L420-F457 HydrophobicContact CD1-CE2 3.61Å; L420-F457 HydrophobicContact CD1-CZ 4.4Å |
| 421 | T | 90.3 | Very high | 92 | Very high | 66 Ų | 66 | 58.3 Ų | 58.3 | 41% | 0.405 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -88.7 | -30.4 | -178.5 | 48 | 0 | 0 | 0 | 0 | 113.8 | Y417 Q418 P423 | Y417-T421 HydrophobicContact CD1-CG2 4.23Å; Y417-T421 HydrophobicContact CD2-CG2 4.23Å; Y417-T421 HydrophobicContact CE1-CG2 3.79Å; Y417-T421 HydrophobicContact CE2-CG2 3.79Å; Y417-T421 HydrophobicContact CG-CG2 4.44Å; Y417-T421 WeakPolarHBondContact O-CB 3.26Å; Y417-T421 WeakPolarHBondContact O-CG2 3.4Å; Y417-T421 PolarHBondContact O-N 3.02Å; Y417-T421 VanDerWaalsContact O-N 3.08Å; Y417-T421 PolarHBondContact O-OG1 3.42Å; Q418-T421 PolarHBondContact O-OG1 3.3Å; T421-P423 WeakPolarHBondContact O-CD 3.39Å |
| 422 | D | 89.4 | Confident | 92.1 | Very high | 56 Ų | 56 | 54.5 Ų | 54.5 | 30% | 0.299 | 28% | 0.28 | S | S | . | . | trans | -83.3 | 118.4 | 178.2 | -179.5 | -2.9 | 0 | 0 | 0 | 111 | Q418 N424 F425 | Q418-D422 PolarHBondContact O-N 3.41Å; D422-N424 PolarHBondContact O-N 2.98Å; D422-N424 VanDerWaalsContact OD1-CB 3.3Å; D422-N424 WeakPolarHBondContact OD1-CB 3.48Å; D422-N424 PolarHBondContact OD1-N 3.44Å; D422-N424 PolarHBondContact OD1-ND2 3.41Å; D422-F425 HydrophobicContact CB-CD2 3.6Å; D422-F425 HydrophobicContact CB-CE2 3.67Å | ||
| 423 | P | 80.4 | Confident | 92.2 | Very high | 99 Ų | 99 | 54.4 Ų | 54.4 | 64% | 0.643 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -14.4 | -179.9 | 29.3 | -36.1 | 0 | 0 | 0 | 113.8 | T421 | T421-P423 WeakPolarHBondContact O-CD 3.39Š|
| 424 | N | 85.5 | Confident | 92.3 | Very high | 141 Ų | 141 | 53.4 Ų | 53.4 | 75% | 0.754 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -8.4 | -176.3 | -56.6 | -62.6 | 0 | 0 | 0 | 113.9 | D422 | D422-N424 PolarHBondContact O-N 2.98Å; D422-N424 VanDerWaalsContact OD1-CB 3.3Å; D422-N424 WeakPolarHBondContact OD1-CB 3.48Å; D422-N424 PolarHBondContact OD1-N 3.44Å; D422-N424 PolarHBondContact OD1-ND2 3.41Å |
| 425 | F | 85.6 | Confident | 92.4 | Very high | 68 Ų | 68 | 51.6 Ų | 51.6 | 30% | 0.298 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -71.6 | 145.5 | 175.6 | -78.9 | -67.3 | 0 | 0 | 0 | 112.1 | I419 D422 K429 | I419-F425 HydrophobicContact CB-CD2 4.39Å; I419-F425 HydrophobicContact CG1-CD2 4.49Å; I419-F425 HydrophobicContact CG1-CE2 4.37Å; I419-F425 HydrophobicContact CG1-CZ 4.5Å; I419-F425 HydrophobicContact CG2-CB 4.39Å; I419-F425 HydrophobicContact CG2-CD2 4.43Å; I419-F425 HydrophobicContact CG2-CG 4.37Å; D422-F425 HydrophobicContact CB-CD2 3.6Å; D422-F425 HydrophobicContact CB-CE2 3.67Å; F425-K429 HydrophobicContact CD1-CD 4.03Å |
| 426 | D | 88.8 | Confident | 92.4 | Very high | 78 Ų | 78 | 49.6 Ų | 49.6 | 42% | 0.417 | 25% | 0.248 | S | C | . | . | trans | -50.3 | 126.7 | 170.4 | -175.1 | -17 | 0 | 0 | 0 | 110.4 | R428 K429 K430 | D426-R428 PolarHBondContact O-N 3.14Å; D426-R428 VanDerWaalsContact O-N 3.1Å; D426-R428 PolarHBondContact OD1-N 2.84Å; D426-K429 HydrophobicContact CB-CD 4.49Å; D426-K429 HydrophobicContact CB-CG 4.23Å; D426-K429 WeakPolarHBondContact O-CB 3.47Å; D426-K429 PolarHBondContact O-N 2.77Å; D426-K430 PolarHBondContact O-N 3.08Å | ||
| 427 | P | 91.8 | Very high | 92.5 | Very high | 51 Ų | 51 | 49.7 Ų | 49.7 | 33% | 0.331 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -46.2 | -34.3 | 172.5 | -32.3 | 38.5 | 0 | 0 | 0 | 114.6 | K429 K430 D431 L470 Y472 L473 | P427-K429 VanDerWaalsContact C-N 3.3Å; P427-K429 PolarHBondContact O-N 3.24Å; P427-K430 WeakPolarHBondContact O-CA 3.41Å; P427-K430 WeakPolarHBondContact O-CB 3.49Å; P427-K430 PolarHBondContact O-N 3.4Å; P427-D431 PolarHBondContact O-N 3.46Å; P427-L470 HydrophobicContact CB-CD1 3.65Å; P427-L470 HydrophobicContact CG-CD1 4.03Å; P427-Y472 WeakPolarHBondContact CB-OH 3.41Å; P427-L473 HydrophobicContact CB-CD1 4.11Å |
| 428 | R | 93.3 | Very high | 92.6 | Very high | 57 Ų | 57 | 43.4 Ų | 43.4 | 22% | 0.215 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.1 | -33.1 | 175.8 | -67.2 | 179.9 | 170.6 | 175.7 | -0.1 | 113.3 | Y361 D363 D426 K430 D431 G432 | Y361-R428 HydrophobicContact CD1-CG 4.15Å; Y361-R428 WeakPolarHBondContact O-CD 3.43Å; D363-R428 IonicContact OD1-CZ 2.72Å; D363-R428 IonicContact OD1-NH1 2.97Å; D363-R428 PolarHBondContact OD1-NH1 3.13Å; D363-R428 IonicContact OD1-NH2 2.83Å; D363-R428 PolarHBondContact OD1-NH2 3.28Å; D363-R428 IonicContact OD2-NH1 2.82Å; D426-R428 PolarHBondContact O-N 3.14Å; D426-R428 VanDerWaalsContact O-N 3.1Å; D426-R428 PolarHBondContact OD1-N 2.84Å; R428-K430 VanDerWaalsContact C-N 3.31Å; R428-D431 WeakPolarHBondContact O-CB 3.36Å; R428-D431 PolarHBondContact O-N 3.09Å; R428-G432 PolarHBondContact O-N 3.33Å |
| 429 | K | 93.9 | Very high | 92.7 | Very high | 89 Ų | 89 | 38.1 Ų | 38.1 | 39% | 0.387 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -70.8 | -29.6 | 172.9 | -66 | -174 | 176.3 | -169.5 | 0 | 111.8 | F356 I419 F425 D426 P427 G432 A433 | F356-K429 HydrophobicContact CE1-CB 4.32Å; F356-K429 HydrophobicContact CE1-CG 4.27Å; F356-K429 HydrophobicContact CZ-CB 4.22Å; F356-K429 WeakPolarHBondContact CZ-O 3.18Å; I419-K429 HydrophobicContact CG2-CB 3.88Å; I419-K429 WeakPolarHBondContact CG2-O 3.38Å; F425-K429 HydrophobicContact CD1-CD 4.03Å; D426-K429 HydrophobicContact CB-CD 4.49Å; D426-K429 HydrophobicContact CB-CG 4.23Å; D426-K429 WeakPolarHBondContact O-CB 3.47Å; D426-K429 PolarHBondContact O-N 2.77Å; P427-K429 VanDerWaalsContact C-N 3.3Å; P427-K429 PolarHBondContact O-N 3.24Å; K429-G432 PolarHBondContact O-N 3.26Å; K429-A433 WeakPolarHBondContact O-CB 3.41Å; K429-A433 PolarHBondContact O-N 3.1Å |
| 430 | K | 94.4 | Very high | 92.7 | Very high | 41 Ų | 41 | 38 Ų | 38 | 18% | 0.178 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.3 | -39.9 | 173 | -61.7 | -172.8 | 179.4 | -177.9 | 0 | 111 | I419 L420 D426 P427 R428 A433 L434 L473 | I419-K430 HydrophobicContact CG2-CG 4.47Å; L420-K430 HydrophobicContact CD2-CB 4.26Å; D426-K430 PolarHBondContact O-N 3.08Å; P427-K430 WeakPolarHBondContact O-CA 3.41Å; P427-K430 WeakPolarHBondContact O-CB 3.49Å; P427-K430 PolarHBondContact O-N 3.4Å; R428-K430 VanDerWaalsContact C-N 3.31Å; K430-A433 PolarHBondContact O-N 3.44Å; K430-L434 WeakPolarHBondContact O-CG 3.32Å; K430-L434 PolarHBondContact O-N 2.97Å; K430-L473 HydrophobicContact CB-CD2 4.42Å |
| 431 | D | 95.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.011 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.2 | -53.3 | 169.2 | 169.2 | 77.7 | 0 | 0 | 0 | 111.1 | Y361 P427 R428 A433 L434 H435 Y472 L473 R476 | Y361-D431 WeakPolarHBondContact CB-OD2 3.32Å; Y361-D431 PolarHBondContact N-OD2 3.28Å; Y361-D431 VanDerWaalsContact N-OD2 3.14Å; P427-D431 PolarHBondContact O-N 3.46Å; R428-D431 WeakPolarHBondContact O-CB 3.36Å; R428-D431 PolarHBondContact O-N 3.09Å; D431-A433 VanDerWaalsContact C-N 3.28Å; D431-A433 PolarHBondContact O-N 3.23Å; D431-L434 WeakPolarHBondContact O-CB 3.49Å; D431-L434 PolarHBondContact O-N 3.24Å; D431-H435 WeakPolarHBondContact O-CB 3.24Å; D431-H435 PolarHBondContact O-N 3.45Å; D431-Y472 HydrophobicContact CB-CD2 4.11Å; D431-Y472 HydrophobicContact CB-CE2 4.09Å; D431-L473 HydrophobicContact CB-CD2 3.82Å; D431-R476 WeakPolarHBondContact OD1-CB 3.25Å; D431-R476 WeakPolarHBondContact OD1-CG 3.44Å; D431-R476 IonicContact OD1-CZ 3.14Å; D431-R476 IonicContact OD1-NE 2.94Å; D431-R476 PolarHBondContact OD1-NE 2.88Å; D431-R476 IonicContact OD1-NH2 3.9Å |
| 432 | G | 95.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.9 | -37.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | R428 K429 H435 V436 | R428-G432 PolarHBondContact O-N 3.33Å; K429-G432 PolarHBondContact O-N 3.26Å; G432-H435 PolarHBondContact O-N 2.81Å; G432-V436 WeakPolarHBondContact O-CG2 3.4Å; G432-V436 PolarHBondContact O-N 3.2Å |
| 433 | A | 97 | Very high | 93.1 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.4 | -41.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F356 C416 I419 L420 K429 K430 D431 I437 | F356-A433 HydrophobicContact CE2-CB 4.23Å; C416-A433 HydrophobicContact CB-CB 4.1Å; I419-A433 HydrophobicContact CB-CB 4.36Å; I419-A433 HydrophobicContact CG2-CB 4.13Å; L420-A433 HydrophobicContact CD1-CB 4.39Å; L420-A433 HydrophobicContact CD2-CB 3.99Å; L420-A433 HydrophobicContact CG-CB 3.93Å; K429-A433 WeakPolarHBondContact O-CB 3.41Å; K429-A433 PolarHBondContact O-N 3.1Å; K430-A433 PolarHBondContact O-N 3.44Å; D431-A433 VanDerWaalsContact C-N 3.28Å; D431-A433 PolarHBondContact O-N 3.23Å; A433-I437 WeakPolarHBondContact O-CG1 3.02Å; A433-I437 PolarHBondContact O-N 2.94Å |
| 434 | L | 96.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65 | -40.6 | 173.3 | -72.8 | -173.9 | 0 | 0 | 0 | 111.8 | L420 K430 D431 I437 G438 F457 V462 L465 R476 V480 | L420-L434 HydrophobicContact CD1-CD2 4.49Å; L420-L434 HydrophobicContact CD2-CD2 4.28Å; L420-L434 HydrophobicContact CD2-CG 4.4Å; K430-L434 WeakPolarHBondContact O-CG 3.32Å; K430-L434 PolarHBondContact O-N 2.97Å; D431-L434 WeakPolarHBondContact O-CB 3.49Å; D431-L434 PolarHBondContact O-N 3.24Å; L434-I437 PolarHBondContact O-N 2.94Å; L434-G438 PolarHBondContact O-N 3.18Å; L434-F457 HydrophobicContact CD2-CZ 3.88Å; L434-V462 HydrophobicContact CD2-CG2 4.04Å; L434-L465 HydrophobicContact CD1-CD1 3.74Å; L434-L465 HydrophobicContact CG-CD1 4.43Å; L434-R476 HydrophobicContact CB-CG 3.65Å; L434-R476 HydrophobicContact CD1-CG 4.08Å; L434-V480 HydrophobicContact CB-CG2 3.88Å; L434-V480 HydrophobicContact CD2-CG2 4.44Å; L434-V480 WeakPolarHBondContact O-CG2 3.44Å |
| 435 | H | 96.2 | Very high | 93.9 | Very high | 14 Ų | 14 | 25.4 Ų | 25.4 | 7% | 0.065 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.2 | -47.5 | 177.8 | -167.9 | -179 | 0 | 0 | 0 | 111.3 | M359 D431 G432 S439 R476 W479 | M359-H435 HydrophobicContact CE-CB 4.33Å; M359-H435 PolarHBondContact O-ND1 3.48Å; D431-H435 WeakPolarHBondContact O-CB 3.24Å; D431-H435 PolarHBondContact O-N 3.45Å; G432-H435 PolarHBondContact O-N 2.81Å; H435-S439 WeakPolarHBondContact O-CB 3.16Å; H435-S439 PolarHBondContact O-N 2.92Å; H435-S439 PolarHBondContact O-OG 3.25Å; H435-R476 PolarHBondContact CD2-NH1 2.9Å; H435-R476 VanDerWaalsContact CD2-NH1 3.34Å; H435-W479 AromaticContact CD2-CH2 3.78Å; H435-W479 AromaticContact CD2-CZ3 3.98Å |
| 436 | V | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.6 | -48.6 | 174.4 | 165.8 | 0 | 0 | 0 | 0 | 111.8 | F356 M359 L398 M412 G432 S439 L440 | F356-V436 HydrophobicContact CD2-CG2 4.13Å; M359-V436 HydrophobicContact CE-CG2 4.02Å; M359-V436 HydrophobicContact SD-CG2 3.7Å; L398-V436 HydrophobicContact CD2-CB 4.48Å; L398-V436 HydrophobicContact CD2-CG1 3.81Å; L398-V436 HydrophobicContact CD2-CG2 4.11Å; M412-V436 HydrophobicContact CE-CB 4.17Å; M412-V436 HydrophobicContact CE-CG1 3.64Å; M412-V436 HydrophobicContact CE-CG2 3.56Å; M412-V436 HydrophobicContact CG-CG1 3.78Å; G432-V436 WeakPolarHBondContact O-CG2 3.4Å; G432-V436 PolarHBondContact O-N 3.2Å; V436-S439 PolarHBondContact O-N 3.24Å; V436-L440 HydrophobicContact CG1-CD1 3.96Å; V436-L440 WeakPolarHBondContact O-CG 3.39Å; V436-L440 PolarHBondContact O-N 3.35Å; V436-L440 VanDerWaalsContact O-N 3.16Å |
| 437 | I | 96.7 | Very high | 94 | Very high | 3 Ų | 3 | 25.2 Ų | 25.2 | 2% | 0.015 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66 | -42.9 | -175.9 | -66.9 | 171 | 0 | 0 | 0 | 111.1 | M413 C416 L420 A433 L434 L440 A441 L444 F457 F484 | M413-I437 HydrophobicContact CE-CD1 4.13Å; M413-I437 HydrophobicContact CE-CG1 3.82Å; M413-I437 HydrophobicContact CE-CG2 4.25Å; M413-I437 HydrophobicContact SD-CG1 4.12Å; C416-I437 HydrophobicContact CB-CD1 3.9Å; C416-I437 HydrophobicContact CB-CG1 4.08Å; L420-I437 HydrophobicContact CD1-CD1 3.69Å; A433-I437 WeakPolarHBondContact O-CG1 3.02Å; A433-I437 PolarHBondContact O-N 2.94Å; L434-I437 PolarHBondContact O-N 2.94Å; I437-L440 CarbonylContact O-C 3.57Å; I437-L440 PolarHBondContact O-N 2.91Å; I437-A441 PolarHBondContact O-N 3.41Å; I437-L444 HydrophobicContact CG2-CD1 4.03Å; I437-F457 HydrophobicContact CB-CZ 4.18Å; I437-F457 HydrophobicContact CD1-CD2 4.44Å; I437-F457 HydrophobicContact CD1-CE2 3.5Å; I437-F457 VanDerWaalsContact CD1-CE2 3.5Å; I437-F457 HydrophobicContact CD1-CZ 3.67Å; I437-F457 HydrophobicContact CG2-CD1 4.46Å; I437-F457 HydrophobicContact CG2-CE1 3.71Å; I437-F457 HydrophobicContact CG2-CE2 4.3Å; I437-F457 HydrophobicContact CG2-CZ 3.62Å; I437-F484 HydrophobicContact CG2-CE2 3.92Å; I437-F484 HydrophobicContact CG2-CZ 3.92Å |
| 438 | G | 95.5 | Very high | 93.6 | Very high | 5 Ų | 5 | 27.2 Ų | 27.2 | 5% | 0.052 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.6 | -38.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L434 L440 A441 | L434-G438 PolarHBondContact O-N 3.18Å; G438-L440 PolarHBondContact O-N 3.35Å; G438-A441 WeakPolarHBondContact O-CB 3.37Å; G438-A441 PolarHBondContact O-N 3.1Å |
| 439 | S | 95.5 | Very high | 93.2 | Very high | 12 Ų | 12 | 30.9 Ų | 30.9 | 8% | 0.084 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.9 | -25.5 | 175.7 | -59.5 | 0 | 0 | 0 | 0 | 113.2 | M359 Q395 H435 V436 | M359-S439 WeakPolarHBondContact CE-OG 3.11Å; Q395-S439 VanDerWaalsContact CD-OG 3.23Å; Q395-S439 WeakPolarHBondContact CG-OG 3.46Å; Q395-S439 PolarHBondContact OE1-OG 3.01Å; H435-S439 WeakPolarHBondContact O-CB 3.16Å; H435-S439 PolarHBondContact O-N 2.92Å; H435-S439 PolarHBondContact O-OG 3.25Å; V436-S439 PolarHBondContact O-N 3.24Å |
| 440 | L | 95.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 6.8 | 179.2 | -62.6 | 174.4 | 0 | 0 | 0 | 112.4 | L398 Y399 A402 L409 V436 I437 G438 E442 I443 L444 | L398-L440 HydrophobicContact CD2-CD1 4.32Å; L398-L440 HydrophobicContact CG-CD1 4.45Å; L398-L440 HydrophobicContact CG-CD2 4.44Å; Y399-L440 HydrophobicContact CD2-CD2 4.44Å; A402-L440 HydrophobicContact CB-CD2 3.73Å; L409-L440 HydrophobicContact CD1-CD1 3.96Å; V436-L440 HydrophobicContact CG1-CD1 3.96Å; V436-L440 WeakPolarHBondContact O-CG 3.39Å; V436-L440 PolarHBondContact O-N 3.35Å; V436-L440 VanDerWaalsContact O-N 3.16Å; I437-L440 CarbonylContact O-C 3.57Å; I437-L440 PolarHBondContact O-N 2.91Å; G438-L440 PolarHBondContact O-N 3.35Å; L440-E442 VanDerWaalsContact C-N 3.33Å; L440-E442 PolarHBondContact O-N 3.23Å; L440-I443 HydrophobicContact CD2-CD1 4.04Å; L440-I443 PolarHBondContact O-N 2.66Å; L440-I443 VanDerWaalsContact O-N 3.16Å; L440-L444 HydrophobicContact CB-CD1 4.06Å; L440-L444 HydrophobicContact CB-CG 4.31Å; L440-L444 WeakPolarHBondContact O-CB 3.19Å; L440-L444 VanDerWaalsContact O-CG 3.24Å; L440-L444 WeakPolarHBondContact O-CG 3.38Å; L440-L444 PolarHBondContact O-N 2.99Å |
| 441 | A | 94.4 | Very high | 92.6 | Very high | 3 Ų | 3 | 30.5 Ų | 30.5 | 3% | 0.025 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -54.9 | -46.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I437 G438 I443 L444 L445 A483 F484 | I437-A441 PolarHBondContact O-N 3.41Å; G438-A441 WeakPolarHBondContact O-CB 3.37Å; G438-A441 PolarHBondContact O-N 3.1Å; A441-I443 PolarHBondContact O-N 3.44Å; A441-L444 WeakPolarHBondContact O-CB 3.42Å; A441-L444 PolarHBondContact O-N 2.8Å; A441-L444 VanDerWaalsContact O-N 3.16Å; A441-L445 WeakPolarHBondContact O-CB 3.34Å; A441-L445 VanDerWaalsContact O-CG 3.24Å; A441-L445 WeakPolarHBondContact O-CG 3.33Å; A441-L445 PolarHBondContact O-N 3.47Å; A441-A483 HydrophobicContact CB-CB 3.95Å; A441-A483 WeakPolarHBondContact CB-O 3.41Å; A441-F484 HydrophobicContact CB-CD1 4.02Å; A441-F484 HydrophobicContact CB-CD2 3.95Å; A441-F484 HydrophobicContact CB-CE1 3.75Å; A441-F484 HydrophobicContact CB-CE2 3.66Å; A441-F484 HydrophobicContact CB-CG 4.13Å; A441-F484 HydrophobicContact CB-CZ 3.57Å |
| 442 | E | 92.4 | Very high | 92.1 | Very high | 83 Ų | 83 | 36.1 Ų | 36.1 | 39% | 0.388 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -58.2 | -47.3 | 179.6 | -164.3 | -154.8 | 155.8 | 0 | 0 | 112.2 | Y399 L440 L444 L445 K446 | Y399-E442 PolarHBondContact OH-OE2 3.34Å; L440-E442 VanDerWaalsContact C-N 3.33Å; L440-E442 PolarHBondContact O-N 3.23Å; E442-L444 VanDerWaalsContact C-N 3.33Å; E442-L444 PolarHBondContact O-N 3.46Å; E442-L445 PolarHBondContact O-N 3.19Å; E442-K446 WeakPolarHBondContact O-CG 3.44Å; E442-K446 PolarHBondContact O-N 3.47Å; E442-K446 VanDerWaalsContact O-N 3.07Å; E442-K446 VanDerWaalsContact OE1-CE 3.23Å; E442-K446 WeakPolarHBondContact OE1-CE 3.37Å; E442-K446 IonicContact OE1-NZ 3.33Å; E442-K446 PolarHBondContact OE1-NZ 2.85Å |
| 443 | I | 92.3 | Very high | 91.8 | Very high | 7 Ų | 7 | 41.7 Ų | 41.7 | 4% | 0.036 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.9 | -41.6 | 177.5 | -58.5 | 170.2 | 0 | 0 | 0 | 110.3 | Y399 A402 K403 L409 L440 A441 L445 K446 K447 | Y399-I443 HydrophobicContact CD1-CD1 4.35Å; Y399-I443 HydrophobicContact CD2-CD1 3.59Å; Y399-I443 HydrophobicContact CD2-CG1 4.16Å; Y399-I443 HydrophobicContact CE1-CD1 4.3Å; Y399-I443 HydrophobicContact CE2-CD1 3.58Å; Y399-I443 HydrophobicContact CE2-CG1 3.64Å; Y399-I443 HydrophobicContact CG-CD1 3.99Å; A402-I443 HydrophobicContact CB-CD1 4.08Å; K403-I443 HydrophobicContact CB-CD1 3.87Å; L409-I443 HydrophobicContact CD2-CG2 3.84Å; L440-I443 HydrophobicContact CD2-CD1 4.04Å; L440-I443 PolarHBondContact O-N 2.66Å; L440-I443 VanDerWaalsContact O-N 3.16Å; A441-I443 PolarHBondContact O-N 3.44Å; I443-L445 VanDerWaalsContact C-N 3.32Å; I443-L445 PolarHBondContact O-N 3.49Å; I443-K446 PolarHBondContact O-N 2.93Å; I443-K447 HydrophobicContact CG2-CD 4.07Å; I443-K447 HydrophobicContact CG2-CG 4.45Å; I443-K447 WeakPolarHBondContact O-CG 3.33Å; I443-K447 PolarHBondContact O-N 3.11Å |
| 444 | L | 93.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.3 | -35.2 | 179.6 | -69.3 | 168.2 | 0 | 0 | 0 | 112.1 | L409 M413 I437 L440 A441 E442 F450 K451 M454 F484 | L409-L444 HydrophobicContact CD1-CD2 4Å; L409-L444 HydrophobicContact CD2-CD2 4.47Å; M413-L444 HydrophobicContact CE-CD1 4.01Å; M413-L444 HydrophobicContact CE-CD2 4.09Å; M413-L444 HydrophobicContact CG-CD2 4.09Å; M413-L444 HydrophobicContact SD-CD1 3.99Å; M413-L444 HydrophobicContact SD-CD2 3.93Å; I437-L444 HydrophobicContact CG2-CD1 4.03Å; L440-L444 HydrophobicContact CB-CD1 4.06Å; L440-L444 HydrophobicContact CB-CG 4.31Å; L440-L444 WeakPolarHBondContact O-CB 3.19Å; L440-L444 VanDerWaalsContact O-CG 3.24Å; L440-L444 WeakPolarHBondContact O-CG 3.38Å; L440-L444 PolarHBondContact O-N 2.99Å; A441-L444 WeakPolarHBondContact O-CB 3.42Å; A441-L444 PolarHBondContact O-N 2.8Å; A441-L444 VanDerWaalsContact O-N 3.16Å; E442-L444 VanDerWaalsContact C-N 3.33Å; E442-L444 PolarHBondContact O-N 3.46Å; L444-F450 HydrophobicContact CB-CB 4.48Å; L444-F450 HydrophobicContact CD2-CB 3.69Å; L444-F450 HydrophobicContact CD2-CD1 4.08Å; L444-F450 HydrophobicContact CD2-CD2 3.92Å; L444-F450 HydrophobicContact CD2-CG 3.62Å; L444-K451 PolarHBondContact O-N 3.04Å; L444-M454 HydrophobicContact CB-CG 4.46Å; L444-M454 HydrophobicContact CB-SD 3.96Å; L444-M454 HydrophobicContact CD1-SD 4.01Å; L444-M454 HydrophobicContact CD2-SD 4.49Å; L444-M454 HydrophobicContact CG-SD 4.39Å; L444-F484 HydrophobicContact CB-CE1 4.38Å; L444-F484 HydrophobicContact CD1-CZ 3.95Å |
| 445 | L | 90.9 | Very high | 91.5 | Very high | 20 Ų | 20 | 43 Ų | 43 | 11% | 0.105 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -75.9 | -27.6 | 177.2 | -70.1 | 176.1 | 0 | 0 | 0 | 113.2 | A441 E442 I443 K451 F484 S486 L487 | A441-L445 WeakPolarHBondContact O-CB 3.34Å; A441-L445 VanDerWaalsContact O-CG 3.24Å; A441-L445 WeakPolarHBondContact O-CG 3.33Å; A441-L445 PolarHBondContact O-N 3.47Å; E442-L445 PolarHBondContact O-N 3.19Å; I443-L445 VanDerWaalsContact C-N 3.32Å; I443-L445 PolarHBondContact O-N 3.49Å; L445-K451 VanDerWaalsContact O-CD 3.28Å; L445-K451 WeakPolarHBondContact O-CD 3.49Å; L445-F484 HydrophobicContact CD1-CD1 4.16Å; L445-F484 HydrophobicContact CD2-CD1 4.02Å; L445-F484 HydrophobicContact CD2-CE1 4.37Å; L445-F484 HydrophobicContact CG-CD1 4.06Å; L445-F484 HydrophobicContact CG-CE1 4.24Å; L445-S486 VanDerWaalsContact CD1-OG 3.23Å; L445-S486 WeakPolarHBondContact CD1-OG 3.4Å; L445-L487 HydrophobicContact CD2-CB 4.01Å; L445-L487 HydrophobicContact CD2-CD1 3.45Å; L445-L487 VanDerWaalsContact CD2-CD1 3.45Å; L445-L487 HydrophobicContact CD2-CG 4.33Å |
| 446 | K | 89.4 | Confident | 91.4 | Very high | 97 Ų | 97 | 46.8 Ų | 46.8 | 42% | 0.422 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -77.8 | -35.4 | 173.4 | -70 | 179.7 | -175.8 | 178.2 | 0 | 112.3 | E442 I443 E897 | E442-K446 WeakPolarHBondContact O-CG 3.44Å; E442-K446 PolarHBondContact O-N 3.47Å; E442-K446 VanDerWaalsContact O-N 3.07Å; E442-K446 VanDerWaalsContact OE1-CE 3.23Å; E442-K446 WeakPolarHBondContact OE1-CE 3.37Å; E442-K446 IonicContact OE1-NZ 3.33Å; E442-K446 PolarHBondContact OE1-NZ 2.85Å; I443-K446 PolarHBondContact O-N 2.93Å; K446-E897 IonicContact NZ-OE2 2.87Å |
| 447 | K | 87 | Confident | 91.3 | Very high | 44 Ų | 44 | 47.7 Ų | 47.7 | 19% | 0.191 | 24% | 0.243 | C | C | . | . | trans | -87.4 | 115 | -175.5 | -70.4 | -170.4 | 173.8 | -166.1 | 0 | 113.4 | L409 I443 L449 F450 K451 E900 | L409-K447 HydrophobicContact CD2-CD 3.7Å; I443-K447 HydrophobicContact CG2-CD 4.07Å; I443-K447 HydrophobicContact CG2-CG 4.45Å; I443-K447 WeakPolarHBondContact O-CG 3.33Å; I443-K447 PolarHBondContact O-N 3.11Å; K447-L449 PolarHBondContact O-N 3.4Å; K447-L449 VanDerWaalsContact O-N 3.07Å; K447-F450 HydrophobicContact CB-CD2 4.31Å; K447-F450 PolarHBondContact O-N 3.47Å; K447-K451 PolarHBondContact O-N 3.44Å; K447-E900 WeakPolarHBondContact CE-OE1 3.45Å; K447-E900 IonicContact NZ-OE1 3.92Å; K447-E900 PolarHBondContact NZ-OE1 3.08Å | ||
| 448 | S | 82.2 | Confident | 91.2 | Very high | 94 Ų | 94 | 47.6 Ų | 47.6 | 66% | 0.657 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -54.3 | -31.1 | -177.5 | 58.3 | 0 | 0 | 0 | 0 | 115.2 | F450 | S448-F450 PolarHBondContact O-N 3.37Å |
| 449 | L | 84.6 | Confident | 91.2 | Very high | 134 Ų | 134 | 50.7 Ų | 50.7 | 70% | 0.702 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -60.6 | -31.8 | 177.2 | -70.5 | 172.2 | 0 | 0 | 0 | 113.5 | K447 Q453 | K447-L449 PolarHBondContact O-N 3.4Å; K447-L449 VanDerWaalsContact O-N 3.07Å; L449-Q453 PolarHBondContact O-NE2 3.27Å |
| 450 | F | 88.1 | Confident | 91.1 | Very high | 31 Ų | 31 | 54.2 Ų | 54.2 | 14% | 0.136 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -107.9 | -35.8 | -175.2 | -63.4 | -73.4 | 0 | 0 | 0 | 112.4 | L409 P410 M413 L444 K447 S448 D452 Q453 M454 | L409-F450 HydrophobicContact CD2-CD2 4.03Å; L409-F450 HydrophobicContact CD2-CE2 3.69Å; L409-F450 HydrophobicContact CG-CE2 3.98Å; L409-F450 HydrophobicContact CG-CZ 4.41Å; P410-F450 HydrophobicContact CB-CZ 4.47Å; P410-F450 HydrophobicContact CG-CZ 4.48Å; M413-F450 HydrophobicContact CB-CE1 4.1Å; M413-F450 HydrophobicContact CG-CE1 4.07Å; M413-F450 HydrophobicContact CG-CZ 4.34Å; L444-F450 HydrophobicContact CB-CB 4.48Å; L444-F450 HydrophobicContact CD2-CB 3.69Å; L444-F450 HydrophobicContact CD2-CD1 4.08Å; L444-F450 HydrophobicContact CD2-CD2 3.92Å; L444-F450 HydrophobicContact CD2-CG 3.62Å; K447-F450 HydrophobicContact CB-CD2 4.31Å; K447-F450 PolarHBondContact O-N 3.47Å; S448-F450 PolarHBondContact O-N 3.37Å; F450-D452 VanDerWaalsContact C-N 3.3Å; F450-D452 PolarHBondContact O-N 3.34Å; F450-D452 VanDerWaalsContact O-N 3.13Å; F450-Q453 WeakPolarHBondContact O-CA 3.24Å; F450-Q453 WeakPolarHBondContact O-CB 3.47Å; F450-Q453 PolarHBondContact O-N 3.45Å; F450-M454 HydrophobicContact CB-CE 4.26Å; F450-M454 WeakPolarHBondContact O-CE 3.49Å; F450-M454 PolarHBondContact O-N 2.98Å |
| 451 | K | 87.4 | Confident | 91.1 | Very high | 91 Ų | 91 | 55.6 Ų | 55.6 | 40% | 0.396 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -43.4 | -51.3 | -174.4 | -173.5 | 179.4 | -170.1 | 156.2 | 0 | 113.9 | L444 L445 K447 Q453 M454 | L444-K451 PolarHBondContact O-N 3.04Å; L445-K451 VanDerWaalsContact O-CD 3.28Å; L445-K451 WeakPolarHBondContact O-CD 3.49Å; K447-K451 PolarHBondContact O-N 3.44Å; K451-Q453 PolarHBondContact O-N 3.18Å; K451-M454 PolarHBondContact O-N 3.15Å |
| 452 | D | 86.1 | Confident | 91.2 | Very high | 120 Ų | 120 | 55.4 Ų | 55.4 | 64% | 0.642 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -70.5 | -16.9 | -175.6 | -61 | -22.4 | 0 | 0 | 0 | 113.4 | F450 | F450-D452 VanDerWaalsContact C-N 3.3Å; F450-D452 PolarHBondContact O-N 3.34Å; F450-D452 VanDerWaalsContact O-N 3.13Å |
| 453 | Q | 89.9 | Confident | 91.3 | Very high | 117 Ų | 117 | 52.1 Ų | 52.1 | 55% | 0.547 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -93.7 | -15 | -179.9 | -57.9 | 179 | 31 | 0 | 0 | 112.7 | L449 F450 K451 E455 L456 F457 | L449-Q453 PolarHBondContact O-NE2 3.27Å; F450-Q453 WeakPolarHBondContact O-CA 3.24Å; F450-Q453 WeakPolarHBondContact O-CB 3.47Å; F450-Q453 PolarHBondContact O-N 3.45Å; K451-Q453 PolarHBondContact O-N 3.18Å; Q453-E455 VanDerWaalsContact C-N 3.33Å; Q453-E455 PolarHBondContact O-N 3.24Å; Q453-L456 PolarHBondContact O-N 3.09Å; Q453-F457 PolarHBondContact O-N 3Å |
| 454 | M | 93.1 | Very high | 91.5 | Very high | 8 Ų | 8 | 55.1 Ų | 55.1 | 4% | 0.039 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66 | -35.6 | -174 | -64 | -58.2 | 86.5 | 0 | 0 | 112.2 | L444 F450 K451 L456 F457 L458 F484 L487 | L444-M454 HydrophobicContact CB-CG 4.46Å; L444-M454 HydrophobicContact CB-SD 3.96Å; L444-M454 HydrophobicContact CD1-SD 4.01Å; L444-M454 HydrophobicContact CD2-SD 4.49Å; L444-M454 HydrophobicContact CG-SD 4.39Å; F450-M454 HydrophobicContact CB-CE 4.26Å; F450-M454 WeakPolarHBondContact O-CE 3.49Å; F450-M454 PolarHBondContact O-N 2.98Å; K451-M454 PolarHBondContact O-N 3.15Å; M454-L456 PolarHBondContact O-N 3.41Å; M454-F457 HydrophobicContact CE-CB 4.45Å; M454-F457 WeakPolarHBondContact O-CB 3.41Å; M454-F457 PolarHBondContact O-N 3.06Å; M454-L458 WeakPolarHBondContact O-CG 3.35Å; M454-L458 PolarHBondContact O-N 3.07Å; M454-F484 HydrophobicContact CB-CD1 4.35Å; M454-F484 HydrophobicContact CB-CE1 4.14Å; M454-F484 HydrophobicContact CG-CE1 3.85Å; M454-F484 HydrophobicContact SD-CE1 3.79Å; M454-F484 HydrophobicContact SD-CZ 3.98Å; M454-L487 HydrophobicContact CB-CD1 3.99Å; M454-L487 HydrophobicContact CB-CD2 4.42Å |
| 455 | E | 93.3 | Very high | 91.6 | Very high | 18 Ų | 18 | 56.4 Ų | 56.4 | 8% | 0.084 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 175.1 | -169.3 | -179.4 | 154.5 | 0 | 0 | 112 | Q453 F457 L458 Q459 L487 F489 H490 N491 N494 | Q453-E455 VanDerWaalsContact C-N 3.33Å; Q453-E455 PolarHBondContact O-N 3.24Å; E455-F457 VanDerWaalsContact C-N 3.31Å; E455-F457 PolarHBondContact O-N 3.19Å; E455-L458 PolarHBondContact O-N 3.14Å; E455-Q459 PolarHBondContact O-N 3.47Å; E455-L487 HydrophobicContact CB-CD2 4.08Å; E455-F489 HydrophobicContact CG-CD1 4.09Å; E455-H490 IonicContact OE2-CG 3.88Å; E455-H490 PolarHBondContact OE2-N 3.15Å; E455-H490 IonicContact OE2-ND1 2.66Å; E455-H490 PolarHBondContact OE2-ND1 3.16Å; E455-N491 WeakPolarHBondContact OE1-CB 3.42Å; E455-N491 PolarHBondContact OE1-N 3.4Å; E455-N494 HydrophobicContact CG-CB 4.36Å; E455-N494 PolarHBondContact OE1-ND2 3.27Å |
| 456 | L | 93.6 | Very high | 91.7 | Very high | 94 Ų | 94 | 55.7 Ų | 55.7 | 49% | 0.492 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -67.3 | -34.9 | 176.4 | -175.5 | 64.2 | 0 | 0 | 0 | 111.7 | Q453 M454 Q459 N460 | Q453-L456 PolarHBondContact O-N 3.09Å; M454-L456 PolarHBondContact O-N 3.41Å; L456-Q459 PolarHBondContact O-N 2.92Å; L456-N460 VanDerWaalsContact CD1-ND2 3.29Å; L456-N460 WeakPolarHBondContact CD1-ND2 3.4Å; L456-N460 WeakPolarHBondContact CG-ND2 3.29Å; L456-N460 WeakPolarHBondContact O-CB 3.43Å; L456-N460 PolarHBondContact O-N 3.11Å; L456-N460 PolarHBondContact O-ND2 3.15Å |
| 457 | F | 95 | Very high | 92 | Very high | 20 Ų | 20 | 55.7 Ų | 55.7 | 9% | 0.088 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.7 | -48.9 | 173.5 | 161.7 | -97.4 | 0 | 0 | 0 | 111.6 | L420 L434 I437 Q453 M454 E455 Q459 N460 H461 V462 V480 F484 | L420-F457 HydrophobicContact CD1-CE2 3.61Å; L420-F457 HydrophobicContact CD1-CZ 4.4Å; L434-F457 HydrophobicContact CD2-CZ 3.88Å; I437-F457 HydrophobicContact CB-CZ 4.18Å; I437-F457 HydrophobicContact CD1-CD2 4.44Å; I437-F457 HydrophobicContact CD1-CE2 3.5Å; I437-F457 VanDerWaalsContact CD1-CE2 3.5Å; I437-F457 HydrophobicContact CD1-CZ 3.67Å; I437-F457 HydrophobicContact CG2-CD1 4.46Å; I437-F457 HydrophobicContact CG2-CE1 3.71Å; I437-F457 HydrophobicContact CG2-CE2 4.3Å; I437-F457 HydrophobicContact CG2-CZ 3.62Å; Q453-F457 PolarHBondContact O-N 3Å; M454-F457 HydrophobicContact CE-CB 4.45Å; M454-F457 WeakPolarHBondContact O-CB 3.41Å; M454-F457 PolarHBondContact O-N 3.06Å; E455-F457 VanDerWaalsContact C-N 3.31Å; E455-F457 PolarHBondContact O-N 3.19Å; F457-Q459 VanDerWaalsContact C-N 3.28Å; F457-Q459 PolarHBondContact O-N 3.14Å; F457-N460 PolarHBondContact O-N 2.92Å; F457-H461 HydrophobicContact CD2-CB 4.22Å; F457-H461 AromaticContact CD2-CD2 3.82Å; F457-H461 HydrophobicContact CE2-CB 4.09Å; F457-H461 WeakPolarHBondContact O-CB 3.43Å; F457-H461 PolarHBondContact O-N 3.36Å; F457-V462 HydrophobicContact CD1-CG2 4.32Å; F457-V462 HydrophobicContact CE1-CG2 3.66Å; F457-V462 HydrophobicContact CZ-CG2 3.9Å; F457-V480 HydrophobicContact CE1-CG1 4.17Å; F457-F484 HydrophobicContact CE1-CE2 4.45Å |
| 458 | L | 95.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | I | π-helix | trans | -57.3 | -45.6 | 176 | -66.5 | -176.8 | 0 | 0 | 0 | 110.6 | M454 E455 V462 F463 V480 L481 F484 L487 F489 | M454-L458 WeakPolarHBondContact O-CG 3.35Å; M454-L458 PolarHBondContact O-N 3.07Å; E455-L458 PolarHBondContact O-N 3.14Å; L458-V462 HydrophobicContact CD2-CB 4.12Å; L458-V462 HydrophobicContact CD2-CG1 4.45Å; L458-V462 HydrophobicContact CD2-CG2 3.72Å; L458-V462 WeakPolarHBondContact O-CB 3.47Å; L458-V462 PolarHBondContact O-N 3.04Å; L458-V462 VanDerWaalsContact O-N 3.09Å; L458-F463 HydrophobicContact CB-CE1 3.97Å; L458-F463 HydrophobicContact CB-CZ 4.19Å; L458-F463 WeakPolarHBondContact O-CD1 3.42Å; L458-F463 WeakPolarHBondContact O-CG 3.22Å; L458-F463 PolarHBondContact O-N 2.88Å; L458-V480 HydrophobicContact CD2-CG1 4.1Å; L458-L481 HydrophobicContact CD1-CD2 4.35Å; L458-L481 HydrophobicContact CD2-CD2 4.22Å; L458-F484 HydrophobicContact CD1-CB 4.17Å; L458-F484 HydrophobicContact CD2-CB 4.37Å; L458-F484 HydrophobicContact CD2-CD2 4.29Å; L458-F484 HydrophobicContact CD2-CG 4.45Å; L458-L487 HydrophobicContact CD1-CD2 3.65Å; L458-F489 HydrophobicContact CD1-CE1 4.18Å; L458-F489 HydrophobicContact CD1-CZ 4.01Å |
| 459 | Q | 95.3 | Very high | 92.8 | Very high | 69 Ų | 69 | 58 Ų | 58 | 32% | 0.322 | 30% | 0.299 | S | S | . | . | I | π-helix | trans | -61.5 | -46.9 | 179.9 | -174 | 179.6 | 26.4 | 0 | 0 | 113.4 | E455 L456 F457 F463 N494 | E455-Q459 PolarHBondContact O-N 3.47Å; L456-Q459 PolarHBondContact O-N 2.92Å; F457-Q459 VanDerWaalsContact C-N 3.28Å; F457-Q459 PolarHBondContact O-N 3.14Å; Q459-F463 HydrophobicContact CB-CD2 4.31Å; Q459-F463 HydrophobicContact CB-CE2 4.22Å; Q459-F463 HydrophobicContact CG-CD2 4.38Å; Q459-F463 HydrophobicContact CG-CE2 4.49Å; Q459-N494 PolarHBondContact NE2-OD1 3.41Å |
| 460 | N | 94.2 | Very high | 93.3 | Very high | 87 Ų | 87 | 54.7 Ų | 54.7 | 47% | 0.465 | 28% | 0.282 | S | S | . | . | I | π-helix | trans | -87.1 | -27.4 | -170.5 | -70.2 | -21.2 | 0 | 0 | 0 | 113.7 | L456 F457 | L456-N460 VanDerWaalsContact CD1-ND2 3.29Å; L456-N460 WeakPolarHBondContact CD1-ND2 3.4Å; L456-N460 WeakPolarHBondContact CG-ND2 3.29Å; L456-N460 WeakPolarHBondContact O-CB 3.43Å; L456-N460 PolarHBondContact O-N 3.11Å; L456-N460 PolarHBondContact O-ND2 3.15Å; F457-N460 PolarHBondContact O-N 2.92Å |
| 461 | H | 94.6 | Very high | 93.6 | Very high | 29 Ų | 29 | 53.4 Ų | 53.4 | 13% | 0.134 | 28% | 0.277 | C | S | . | . | I | π-helix | trans | -118.5 | -41.1 | -172.1 | -61.1 | -71.1 | 0 | 0 | 0 | 113.1 | Y417 F457 L465 | Y417-H461 AromaticContact CE2-NE2 3.99Å; F457-H461 HydrophobicContact CD2-CB 4.22Å; F457-H461 AromaticContact CD2-CD2 3.82Å; F457-H461 HydrophobicContact CE2-CB 4.09Å; F457-H461 WeakPolarHBondContact O-CB 3.43Å; F457-H461 PolarHBondContact O-N 3.36Å; H461-L465 VanDerWaalsContact O-CD1 3.23Å; H461-L465 WeakPolarHBondContact O-CD1 3.47Å; H461-L465 WeakPolarHBondContact O-CG 3.41Å |
| 462 | V | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.262 | C | S | . | . | I | π-helix | trans | -83.4 | -49 | -175.2 | -176.3 | 0 | 0 | 0 | 0 | 111.6 | L434 F457 L458 L465 L466 S477 V480 L481 | L434-V462 HydrophobicContact CD2-CG2 4.04Å; F457-V462 HydrophobicContact CD1-CG2 4.32Å; F457-V462 HydrophobicContact CE1-CG2 3.66Å; F457-V462 HydrophobicContact CZ-CG2 3.9Å; L458-V462 HydrophobicContact CD2-CB 4.12Å; L458-V462 HydrophobicContact CD2-CG1 4.45Å; L458-V462 HydrophobicContact CD2-CG2 3.72Å; L458-V462 WeakPolarHBondContact O-CB 3.47Å; L458-V462 PolarHBondContact O-N 3.04Å; L458-V462 VanDerWaalsContact O-N 3.09Å; V462-L465 PolarHBondContact O-N 3.37Å; V462-L466 PolarHBondContact O-N 2.62Å; V462-L466 VanDerWaalsContact O-N 3.16Å; V462-S477 WeakPolarHBondContact CG1-O 3.34Å; V462-V480 HydrophobicContact CG1-CG1 4.45Å; V462-V480 HydrophobicContact CG2-CG1 3.85Å; V462-L481 HydrophobicContact CG1-CD2 4.12Å; V462-L481 HydrophobicContact CG1-CG 4.14Å |
| 463 | F | 96.1 | Very high | 94.5 | Very high | 13 Ų | 13 | 44.4 Ų | 44.4 | 6% | 0.057 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.1 | -41.4 | -178.1 | -62.2 | -8 | 0 | 0 | 0 | 113.9 | L458 Q459 L465 L466 L481 N494 N497 A498 L501 | L458-F463 HydrophobicContact CB-CE1 3.97Å; L458-F463 HydrophobicContact CB-CZ 4.19Å; L458-F463 WeakPolarHBondContact O-CD1 3.42Å; L458-F463 WeakPolarHBondContact O-CG 3.22Å; L458-F463 PolarHBondContact O-N 2.88Å; Q459-F463 HydrophobicContact CB-CD2 4.31Å; Q459-F463 HydrophobicContact CB-CE2 4.22Å; Q459-F463 HydrophobicContact CG-CD2 4.38Å; Q459-F463 HydrophobicContact CG-CE2 4.49Å; F463-L465 VanDerWaalsContact C-N 3.3Å; F463-L465 PolarHBondContact O-N 3.44Å; F463-L466 PolarHBondContact O-N 3.08Å; F463-L481 HydrophobicContact CD1-CD2 4.36Å; F463-L481 HydrophobicContact CE1-CD2 3.86Å; F463-N494 HydrophobicContact CE2-CB 4.36Å; F463-N494 WeakPolarHBondContact CZ-O 3.43Å; F463-N497 HydrophobicContact CD2-CB 4.18Å; F463-N497 HydrophobicContact CE2-CB 4.01Å; F463-A498 HydrophobicContact CE1-CB 3.74Å; F463-A498 HydrophobicContact CZ-CB 3.8Å; F463-L501 HydrophobicContact CB-CD1 3.62Å; F463-L501 HydrophobicContact CD1-CD1 4.16Å; F463-L501 HydrophobicContact CG-CD1 3.86Å |
| 464 | P | 95.3 | Very high | 94.8 | Very high | 70 Ų | 70 | 40 Ų | 40 | 46% | 0.455 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65.8 | -32 | 175.6 | -23.2 | 36.4 | 0 | 0 | 0 | 113.2 | L467 | P464-L467 PolarHBondContact O-N 3.15Å |
| 465 | L | 94.9 | Very high | 95 | Very high | 28 Ų | 28 | 39.8 Ų | 39.8 | 15% | 0.147 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -76.2 | -24.5 | -178.1 | -69.1 | 177 | 0 | 0 | 0 | 112.9 | L434 H461 V462 F463 L467 S468 L473 S477 | L434-L465 HydrophobicContact CD1-CD1 3.74Å; L434-L465 HydrophobicContact CG-CD1 4.43Å; H461-L465 VanDerWaalsContact O-CD1 3.23Å; H461-L465 WeakPolarHBondContact O-CD1 3.47Å; H461-L465 WeakPolarHBondContact O-CG 3.41Å; V462-L465 PolarHBondContact O-N 3.37Å; F463-L465 VanDerWaalsContact C-N 3.3Å; F463-L465 PolarHBondContact O-N 3.44Å; L465-L467 PolarHBondContact O-N 3.35Å; L465-L467 VanDerWaalsContact O-N 3.15Å; L465-S468 WeakPolarHBondContact O-CB 3.43Å; L465-S468 PolarHBondContact O-N 3.24Å; L465-L473 HydrophobicContact CD2-CD1 4.31Å; L465-S477 VanDerWaalsContact CB-OG 3.28Å; L465-S477 WeakPolarHBondContact CB-OG 3.5Å |
| 466 | L | 94.9 | Very high | 95.1 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -16.4 | 166.9 | -71.9 | 164.3 | 0 | 0 | 0 | 113.3 | V462 F463 R474 C478 L481 L501 | V462-L466 PolarHBondContact O-N 2.62Å; V462-L466 VanDerWaalsContact O-N 3.16Å; F463-L466 PolarHBondContact O-N 3.08Å; L466-R474 WeakPolarHBondContact O-CD 3.38Å; L466-C478 HydrophobicContact CD2-CB 4.48Å; L466-C478 WeakPolarHBondContact CD2-SG 3.43Å; L466-L481 HydrophobicContact CD1-CD1 3.53Å; L466-L481 HydrophobicContact CD1-CG 4.35Å; L466-L501 HydrophobicContact CB-CB 4.4Å; L466-L501 HydrophobicContact CD1-CB 3.74Å; L466-L501 HydrophobicContact CD1-CD1 4.06Å; L466-L501 HydrophobicContact CD1-CG 4.5Å |
| 467 | L | 94.3 | Very high | 95.3 | Very high | 98 Ų | 98 | 35.5 Ų | 35.5 | 51% | 0.513 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 11.6 | 175.4 | -58.8 | 176 | 0 | 0 | 0 | 112.5 | P464 L465 L501 K504 | P464-L467 PolarHBondContact O-N 3.15Å; L465-L467 PolarHBondContact O-N 3.35Å; L465-L467 VanDerWaalsContact O-N 3.15Å; L467-L501 HydrophobicContact CD1-CD2 4.21Å; L467-L501 HydrophobicContact CD2-CD2 3.78Å; L467-L501 HydrophobicContact CG-CD2 3.97Å; L467-K504 HydrophobicContact CD2-CD 4.48Å |
| 468 | S | 93.9 | Very high | 95.5 | Very high | 27 Ų | 27 | 34.5 Ų | 34.5 | 19% | 0.189 | 18% | 0.182 | C | C | . | . | trans | -64.6 | 151.8 | 177.2 | -177.6 | 0 | 0 | 0 | 0 | 111.6 | L465 L470 R474 | L465-S468 WeakPolarHBondContact O-CB 3.43Å; L465-S468 PolarHBondContact O-N 3.24Å; S468-L470 PolarHBondContact O-N 3.24Å; S468-L470 PolarHBondContact OG-N 3.16Å; S468-R474 VanDerWaalsContact O-CD 3.26Å; S468-R474 WeakPolarHBondContact O-CD 3.39Å; S468-R474 PolarHBondContact O-NH1 3.21Å | ||
| 469 | N | 93.3 | Very high | 95.5 | Very high | 158 Ų | 158 | 36.8 Ų | 36.8 | 85% | 0.845 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -73.2 | -12 | 171.1 | -64.9 | -30.3 | 0 | 0 | 0 | 113.1 | R474 | N469-R474 VanDerWaalsContact C-NH1 3.32Å; N469-R474 PolarHBondContact O-NH1 3.02Å |
| 470 | L | 94.6 | Very high | 95.6 | Very high | 66 Ų | 66 | 33.5 Ų | 33.5 | 35% | 0.346 | 18% | 0.175 | S | C | . | . | trans | -96.6 | 120.2 | -177.1 | -61.6 | 169.8 | 0 | 0 | 0 | 110.4 | P427 S468 Y472 L473 R474 | P427-L470 HydrophobicContact CB-CD1 3.65Å; P427-L470 HydrophobicContact CG-CD1 4.03Å; S468-L470 PolarHBondContact O-N 3.24Å; S468-L470 PolarHBondContact OG-N 3.16Å; L470-Y472 HydrophobicContact CB-CD1 4.3Å; L470-Y472 HydrophobicContact CB-CE1 3.9Å; L470-Y472 HydrophobicContact CD1-CE1 4.25Å; L470-Y472 HydrophobicContact CD2-CE1 4.22Å; L470-Y472 HydrophobicContact CG-CE1 4.34Å; L470-L473 HydrophobicContact CB-CB 4.36Å; L470-L473 HydrophobicContact CB-CD1 4.19Å; L470-L473 HydrophobicContact CB-CG 4.35Å; L470-L473 HydrophobicContact CD1-CD1 3.83Å; L470-L473 PolarHBondContact O-N 2.79Å; L470-R474 VanDerWaalsContact C-NH1 3.31Å; L470-R474 PolarHBondContact O-N 2.66Å; L470-R474 PolarHBondContact O-NH1 2.91Å | ||
| 471 | G | 95 | Very high | 95.7 | Very high | 4 Ų | 4 | 29.5 Ų | 29.5 | 4% | 0.041 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.6 | -52.4 | -177 | 0 | 0 | 0 | 0 | 0 | 113.9 | L473 R474 A475 E511 V514 | G471-L473 PolarHBondContact O-N 3.21Å; G471-L473 VanDerWaalsContact O-N 3.16Å; G471-R474 WeakPolarHBondContact O-CA 3.45Å; G471-R474 WeakPolarHBondContact O-CB 3.25Å; G471-R474 PolarHBondContact O-N 3.38Å; G471-A475 PolarHBondContact O-N 3.36Å; G471-E511 WeakPolarHBondContact CA-OE2 3.45Å; G471-E511 PolarHBondContact N-OE2 3.41Å; G471-V514 WeakPolarHBondContact O-CG2 3.27Å |
| 472 | Y | 94.8 | Very high | 95.8 | Very high | 18 Ų | 18 | 31.1 Ų | 31.1 | 7% | 0.071 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.4 | -33.5 | -179.3 | 68.7 | -93.5 | 0 | 0 | 0 | 113.3 | Y361 P427 D431 L470 R476 | Y361-Y472 HydrophobicContact CD1-CD1 4.36Å; Y361-Y472 HydrophobicContact CD1-CD2 4.19Å; Y361-Y472 HydrophobicContact CD1-CE1 4.47Å; Y361-Y472 HydrophobicContact CD1-CE2 4.3Å; Y361-Y472 HydrophobicContact CD1-CG 4.22Å; Y361-Y472 HydrophobicContact CD2-CD2 4.2Å; Y361-Y472 HydrophobicContact CD2-CG 4.13Å; Y361-Y472 AromaticContact CE1-CD1 3.88Å; Y361-Y472 HydrophobicContact CE1-CD1 3.88Å; Y361-Y472 HydrophobicContact CE1-CD2 4.45Å; Y361-Y472 HydrophobicContact CE1-CE1 4.18Å; Y361-Y472 HydrophobicContact CE1-CG 4.02Å; Y361-Y472 HydrophobicContact CE2-CD1 4.46Å; Y361-Y472 HydrophobicContact CE2-CD2 4.48Å; Y361-Y472 AromaticContact CE2-CG 3.96Å; Y361-Y472 HydrophobicContact CE2-CG 3.96Å; Y361-Y472 HydrophobicContact CG-CD2 4Å; Y361-Y472 HydrophobicContact CG-CE2 4.4Å; Y361-Y472 HydrophobicContact CG-CG 4.22Å; Y361-Y472 AromaticContact CZ-CD1 3.91Å; Y361-Y472 AromaticContact CZ-CG 3.87Å; P427-Y472 WeakPolarHBondContact CB-OH 3.41Å; D431-Y472 HydrophobicContact CB-CD2 4.11Å; D431-Y472 HydrophobicContact CB-CE2 4.09Å; L470-Y472 HydrophobicContact CB-CD1 4.3Å; L470-Y472 HydrophobicContact CB-CE1 3.9Å; L470-Y472 HydrophobicContact CD1-CE1 4.25Å; L470-Y472 HydrophobicContact CD2-CE1 4.22Å; L470-Y472 HydrophobicContact CG-CE1 4.34Å; Y472-R476 VanDerWaalsContact O-CB 3.3Å; Y472-R476 WeakPolarHBondContact O-CB 3.16Å; Y472-R476 PolarHBondContact O-N 3.44Å |
| 473 | L | 96 | Very high | 95.7 | Very high | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -70.8 | -36.6 | 174.4 | -75.7 | 179.9 | 0 | 0 | 0 | 112.7 | P427 K430 D431 L465 L470 G471 S477 | P427-L473 HydrophobicContact CB-CD1 4.11Å; K430-L473 HydrophobicContact CB-CD2 4.42Å; D431-L473 HydrophobicContact CB-CD2 3.82Å; L465-L473 HydrophobicContact CD2-CD1 4.31Å; L470-L473 HydrophobicContact CB-CB 4.36Å; L470-L473 HydrophobicContact CB-CD1 4.19Å; L470-L473 HydrophobicContact CB-CG 4.35Å; L470-L473 HydrophobicContact CD1-CD1 3.83Å; L470-L473 PolarHBondContact O-N 2.79Å; G471-L473 PolarHBondContact O-N 3.21Å; G471-L473 VanDerWaalsContact O-N 3.16Å; L473-S477 VanDerWaalsContact O-CB 3.28Å; L473-S477 WeakPolarHBondContact O-CB 3.25Å; L473-S477 PolarHBondContact O-N 3.1Å; L473-S477 PolarHBondContact O-OG 3.16Å |
| 474 | R | 97.4 | Very high | 95.7 | Very high | 25 Ų | 25 | 32 Ų | 32 | 9% | 0.094 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.3 | -47.4 | 174.4 | -63.7 | -164.2 | -60.6 | -73.6 | -2.6 | 110.1 | L466 S468 N469 L470 G471 R476 S477 C478 D509 E511 V514 | L466-R474 WeakPolarHBondContact O-CD 3.38Å; S468-R474 VanDerWaalsContact O-CD 3.26Å; S468-R474 WeakPolarHBondContact O-CD 3.39Å; S468-R474 PolarHBondContact O-NH1 3.21Å; N469-R474 VanDerWaalsContact C-NH1 3.32Å; N469-R474 PolarHBondContact O-NH1 3.02Å; L470-R474 VanDerWaalsContact C-NH1 3.31Å; L470-R474 PolarHBondContact O-N 2.66Å; L470-R474 PolarHBondContact O-NH1 2.91Å; G471-R474 WeakPolarHBondContact O-CA 3.45Å; G471-R474 WeakPolarHBondContact O-CB 3.25Å; G471-R474 PolarHBondContact O-N 3.38Å; R474-R476 PolarHBondContact O-N 2.87Å; R474-S477 WeakPolarHBondContact O-CB 3.47Å; R474-S477 PolarHBondContact O-N 3.48Å; R474-S477 VanDerWaalsContact O-N 3.13Å; R474-C478 PolarHBondContact O-N 3.39Å; R474-D509 IonicContact CZ-OD1 2.71Å; R474-D509 IonicContact CZ-OD2 2.72Å; R474-D509 VanDerWaalsContact CZ-OD2 3.29Å; R474-D509 IonicContact NE-OD2 3.73Å; R474-D509 PolarHBondContact NE-OD2 3.02Å; R474-D509 IonicContact NH2-OD1 3.06Å; R474-D509 PolarHBondContact NH2-OD1 3.38Å; R474-D509 IonicContact NH2-OD2 2.93Å; R474-D509 PolarHBondContact NH2-OD2 3.17Å; R474-E511 IonicContact CZ-OE2 2.84Å; R474-E511 IonicContact NH1-OE2 2.64Å; R474-E511 IonicContact NH2-OE2 3.42Å; R474-E511 PolarHBondContact NH2-OE2 3.23Å; R474-V514 HydrophobicContact CB-CG1 3.8Å; R474-V514 HydrophobicContact CB-CG2 4.19Å |
| 475 | A | 96.6 | Very high | 95.5 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 2% | 0.017 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.5 | -49.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | W369 G471 S477 C478 W479 V514 E517 | W369-A475 HydrophobicContact CH2-CB 3.8Å; W369-A475 HydrophobicContact CZ3-CB 4.34Å; G471-A475 PolarHBondContact O-N 3.36Å; A475-S477 VanDerWaalsContact C-N 3.27Å; A475-S477 PolarHBondContact O-N 3.36Å; A475-C478 WeakPolarHBondContact O-CB 3.41Å; A475-C478 PolarHBondContact O-N 3.37Å; A475-W479 PolarHBondContact O-N 2.81Å; A475-V514 HydrophobicContact CB-CG2 4.07Å; A475-E517 HydrophobicContact CB-CB 4.47Å; A475-E517 HydrophobicContact CB-CG 4.17Å |
| 476 | R | 96.8 | Very high | 95.2 | Very high | 22 Ų | 22 | 31.2 Ų | 31.2 | 8% | 0.083 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.6 | -37.1 | 175.9 | -176.7 | 61.9 | 63.2 | -170 | 2.6 | 112.5 | D431 L434 H435 Y472 R474 W479 V480 | D431-R476 WeakPolarHBondContact OD1-CB 3.25Å; D431-R476 WeakPolarHBondContact OD1-CG 3.44Å; D431-R476 IonicContact OD1-CZ 3.14Å; D431-R476 IonicContact OD1-NE 2.94Å; D431-R476 PolarHBondContact OD1-NE 2.88Å; D431-R476 IonicContact OD1-NH2 3.9Å; L434-R476 HydrophobicContact CB-CG 3.65Å; L434-R476 HydrophobicContact CD1-CG 4.08Å; H435-R476 PolarHBondContact CD2-NH1 2.9Å; H435-R476 VanDerWaalsContact CD2-NH1 3.34Å; Y472-R476 VanDerWaalsContact O-CB 3.3Å; Y472-R476 WeakPolarHBondContact O-CB 3.16Å; Y472-R476 PolarHBondContact O-N 3.44Å; R474-R476 PolarHBondContact O-N 2.87Å; R476-W479 WeakPolarHBondContact O-CB 3.33Å; R476-W479 PolarHBondContact O-N 3.44Å; R476-V480 WeakPolarHBondContact O-CG2 3.28Å; R476-V480 PolarHBondContact O-N 3.3Å |
| 477 | S | 97.7 | Very high | 95 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.1 | -38.4 | 177.6 | -59.6 | 0 | 0 | 0 | 0 | 111.8 | V462 L465 L473 R474 A475 V480 L481 | V462-S477 WeakPolarHBondContact CG1-O 3.34Å; L465-S477 VanDerWaalsContact CB-OG 3.28Å; L465-S477 WeakPolarHBondContact CB-OG 3.5Å; L473-S477 VanDerWaalsContact O-CB 3.28Å; L473-S477 WeakPolarHBondContact O-CB 3.25Å; L473-S477 PolarHBondContact O-N 3.1Å; L473-S477 PolarHBondContact O-OG 3.16Å; R474-S477 WeakPolarHBondContact O-CB 3.47Å; R474-S477 PolarHBondContact O-N 3.48Å; R474-S477 VanDerWaalsContact O-N 3.13Å; A475-S477 VanDerWaalsContact C-N 3.27Å; A475-S477 PolarHBondContact O-N 3.36Å; S477-V480 PolarHBondContact O-N 2.89Å; S477-L481 WeakPolarHBondContact O-CG 3.48Å; S477-L481 PolarHBondContact O-N 3.08Å |
| 478 | C | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.9 | -47 | 170.3 | -73.6 | 0 | 0 | 0 | 0 | 111.1 | L466 R474 A475 V480 L481 H482 E517 A521 | L466-C478 HydrophobicContact CD2-CB 4.48Å; L466-C478 WeakPolarHBondContact CD2-SG 3.43Å; R474-C478 PolarHBondContact O-N 3.39Å; A475-C478 WeakPolarHBondContact O-CB 3.41Å; A475-C478 PolarHBondContact O-N 3.37Å; C478-V480 VanDerWaalsContact C-N 3.31Å; C478-V480 PolarHBondContact O-N 3.12Å; C478-L481 WeakPolarHBondContact O-CA 3.21Å; C478-L481 WeakPolarHBondContact O-CB 3.42Å; C478-L481 PolarHBondContact O-N 3.16Å; C478-H482 PolarHBondContact O-N 3.44Å; C478-E517 HydrophobicContact CB-CB 3.7Å; C478-A521 HydrophobicContact CB-CB 4.38Å; C478-A521 VanDerWaalsContact O-CB 3.27Å; C478-A521 WeakPolarHBondContact O-CB 3.32Å |
| 479 | W | 96.9 | Very high | 94.5 | Very high | 49 Ų | 49 | 34.1 Ų | 34.1 | 19% | 0.186 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.7 | -41.3 | 175.4 | -178.7 | 85.5 | 0 | 0 | 0 | 112.7 | H435 A475 R476 L481 H482 A483 E517 | H435-W479 AromaticContact CD2-CH2 3.78Å; H435-W479 AromaticContact CD2-CZ3 3.98Å; A475-W479 PolarHBondContact O-N 2.81Å; R476-W479 WeakPolarHBondContact O-CB 3.33Å; R476-W479 PolarHBondContact O-N 3.44Å; W479-L481 PolarHBondContact O-N 2.83Å; W479-H482 WeakPolarHBondContact O-CB 2.8Å; W479-H482 PolarHBondContact O-N 2.99Å; W479-A483 PolarHBondContact O-N 3.28Å; W479-E517 WeakPolarHBondContact CB-OE2 3.11Å |
| 480 | V | 97.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.2 | -38.8 | 173.9 | 173.1 | 0 | 0 | 0 | 0 | 111.6 | L434 F457 L458 V462 R476 S477 C478 H482 A483 F484 | L434-V480 HydrophobicContact CB-CG2 3.88Å; L434-V480 HydrophobicContact CD2-CG2 4.44Å; L434-V480 WeakPolarHBondContact O-CG2 3.44Å; F457-V480 HydrophobicContact CE1-CG1 4.17Å; L458-V480 HydrophobicContact CD2-CG1 4.1Å; V462-V480 HydrophobicContact CG1-CG1 4.45Å; V462-V480 HydrophobicContact CG2-CG1 3.85Å; R476-V480 WeakPolarHBondContact O-CG2 3.28Å; R476-V480 PolarHBondContact O-N 3.3Å; S477-V480 PolarHBondContact O-N 2.89Å; C478-V480 VanDerWaalsContact C-N 3.31Å; C478-V480 PolarHBondContact O-N 3.12Å; V480-H482 VanDerWaalsContact C-N 3.3Å; V480-H482 PolarHBondContact O-N 3.29Å; V480-A483 PolarHBondContact O-N 3.44Å; V480-F484 HydrophobicContact CG1-CD2 3.75Å; V480-F484 HydrophobicContact CG1-CE2 4.02Å; V480-F484 WeakPolarHBondContact O-CD2 3.19Å; V480-F484 PolarHBondContact O-N 2.98Å |
| 481 | L | 96.3 | Very high | 94 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.7 | -39.6 | 173.8 | -72 | -177.3 | 0 | 0 | 0 | 112.1 | L458 V462 F463 L466 S477 C478 W479 F484 S485 A498 A521 | L458-L481 HydrophobicContact CD1-CD2 4.35Å; L458-L481 HydrophobicContact CD2-CD2 4.22Å; V462-L481 HydrophobicContact CG1-CD2 4.12Å; V462-L481 HydrophobicContact CG1-CG 4.14Å; F463-L481 HydrophobicContact CD1-CD2 4.36Å; F463-L481 HydrophobicContact CE1-CD2 3.86Å; L466-L481 HydrophobicContact CD1-CD1 3.53Å; L466-L481 HydrophobicContact CD1-CG 4.35Å; S477-L481 WeakPolarHBondContact O-CG 3.48Å; S477-L481 PolarHBondContact O-N 3.08Å; C478-L481 WeakPolarHBondContact O-CA 3.21Å; C478-L481 WeakPolarHBondContact O-CB 3.42Å; C478-L481 PolarHBondContact O-N 3.16Å; W479-L481 PolarHBondContact O-N 2.83Å; L481-F484 CarbonylContact O-C 3.53Å; L481-F484 PolarHBondContact O-N 3.35Å; L481-S485 PolarHBondContact O-N 2.97Å; L481-S485 VanDerWaalsContact O-N 3.12Å; L481-A498 HydrophobicContact CD2-CB 4.38Å; L481-A521 HydrophobicContact CB-CB 4.23Å |
| 482 | H | 95.4 | Very high | 93.8 | Very high | 64 Ų | 64 | 38.7 Ų | 38.7 | 30% | 0.296 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -58.3 | -54.5 | 171.4 | 178.9 | 179.1 | 0 | 0 | 0 | 110.1 | C478 W479 V480 F484 S485 A521 S524 | C478-H482 PolarHBondContact O-N 3.44Å; W479-H482 WeakPolarHBondContact O-CB 2.8Å; W479-H482 PolarHBondContact O-N 2.99Å; V480-H482 VanDerWaalsContact C-N 3.3Å; V480-H482 PolarHBondContact O-N 3.29Å; H482-F484 PolarHBondContact O-N 2.93Å; H482-F484 VanDerWaalsContact O-N 3.12Å; H482-S485 WeakPolarHBondContact O-CB 3.36Å; H482-S485 PolarHBondContact O-N 3.13Å; H482-S485 PolarHBondContact O-OG 3.36Å; H482-A521 HydrophobicContact CB-CB 4.06Å; H482-S524 PolarHBondContact CD2-OG 2.99Å |
| 483 | A | 94.9 | Very high | 93.7 | Very high | 31 Ų | 31 | 42.4 Ų | 42.4 | 26% | 0.256 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -57.4 | -30.9 | -178 | 0 | 0 | 0 | 0 | 0 | 113.7 | A441 W479 V480 | A441-A483 HydrophobicContact CB-CB 3.95Å; A441-A483 WeakPolarHBondContact CB-O 3.41Å; W479-A483 PolarHBondContact O-N 3.28Å; V480-A483 PolarHBondContact O-N 3.44Å |
| 484 | F | 94.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 15.8 | 176.9 | -75 | -82.1 | 0 | 0 | 0 | 114.2 | I437 A441 L444 L445 M454 F457 L458 V480 L481 H482 S486 L487 | I437-F484 HydrophobicContact CG2-CE2 3.92Å; I437-F484 HydrophobicContact CG2-CZ 3.92Å; A441-F484 HydrophobicContact CB-CD1 4.02Å; A441-F484 HydrophobicContact CB-CD2 3.95Å; A441-F484 HydrophobicContact CB-CE1 3.75Å; A441-F484 HydrophobicContact CB-CE2 3.66Å; A441-F484 HydrophobicContact CB-CG 4.13Å; A441-F484 HydrophobicContact CB-CZ 3.57Å; L444-F484 HydrophobicContact CB-CE1 4.38Å; L444-F484 HydrophobicContact CD1-CZ 3.95Å; L445-F484 HydrophobicContact CD1-CD1 4.16Å; L445-F484 HydrophobicContact CD2-CD1 4.02Å; L445-F484 HydrophobicContact CD2-CE1 4.37Å; L445-F484 HydrophobicContact CG-CD1 4.06Å; L445-F484 HydrophobicContact CG-CE1 4.24Å; M454-F484 HydrophobicContact CB-CD1 4.35Å; M454-F484 HydrophobicContact CB-CE1 4.14Å; M454-F484 HydrophobicContact CG-CE1 3.85Å; M454-F484 HydrophobicContact SD-CE1 3.79Å; M454-F484 HydrophobicContact SD-CZ 3.98Å; F457-F484 HydrophobicContact CE1-CE2 4.45Å; L458-F484 HydrophobicContact CD1-CB 4.17Å; L458-F484 HydrophobicContact CD2-CB 4.37Å; L458-F484 HydrophobicContact CD2-CD2 4.29Å; L458-F484 HydrophobicContact CD2-CG 4.45Å; V480-F484 HydrophobicContact CG1-CD2 3.75Å; V480-F484 HydrophobicContact CG1-CE2 4.02Å; V480-F484 WeakPolarHBondContact O-CD2 3.19Å; V480-F484 PolarHBondContact O-N 2.98Å; L481-F484 CarbonylContact O-C 3.53Å; L481-F484 PolarHBondContact O-N 3.35Å; H482-F484 PolarHBondContact O-N 2.93Å; H482-F484 VanDerWaalsContact O-N 3.12Å; F484-S486 PolarHBondContact O-N 3.17Å; F484-L487 HydrophobicContact CB-CB 4.5Å; F484-L487 WeakPolarHBondContact O-CB 3.45Å; F484-L487 PolarHBondContact O-N 3.39Å |
| 485 | S | 91.1 | Very high | 93.4 | Very high | 9 Ų | 9 | 41.4 Ų | 41.4 | 6% | 0.063 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -30.6 | -178.3 | 60.2 | 0 | 0 | 0 | 0 | 114.2 | L481 H482 L487 S524 N528 Q529 | L481-S485 PolarHBondContact O-N 2.97Å; L481-S485 VanDerWaalsContact O-N 3.12Å; H482-S485 WeakPolarHBondContact O-CB 3.36Å; H482-S485 PolarHBondContact O-N 3.13Å; H482-S485 PolarHBondContact O-OG 3.36Å; S485-L487 PolarHBondContact O-N 3Å; S485-S524 WeakPolarHBondContact CB-OG 3.37Å; S485-S524 PolarHBondContact OG-OG 3.17Å; S485-N528 PolarHBondContact OG-ND2 2.87Å; S485-N528 VanDerWaalsContact OG-ND2 3.09Å; S485-Q529 PolarHBondContact O-NE2 3.4Å |
| 486 | S | 89.8 | Confident | 93.3 | Very high | 72 Ų | 72 | 47.8 Ų | 47.8 | 50% | 0.503 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -4.1 | 176.2 | 62 | 0 | 0 | 0 | 0 | 113.8 | L445 F484 K488 | L445-S486 VanDerWaalsContact CD1-OG 3.23Å; L445-S486 WeakPolarHBondContact CD1-OG 3.4Å; F484-S486 PolarHBondContact O-N 3.17Å; S486-K488 PolarHBondContact O-N 3.3Å |
| 487 | L | 90.9 | Very high | 93.2 | Very high | 6 Ų | 6 | 49.7 Ų | 49.7 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | trans | -59.9 | 131.5 | 173 | 178.8 | 69.9 | 0 | 0 | 0 | 110.5 | L445 M454 E455 L458 F484 S485 F489 Q529 | L445-L487 HydrophobicContact CD2-CB 4.01Å; L445-L487 HydrophobicContact CD2-CD1 3.45Å; L445-L487 VanDerWaalsContact CD2-CD1 3.45Å; L445-L487 HydrophobicContact CD2-CG 4.33Å; M454-L487 HydrophobicContact CB-CD1 3.99Å; M454-L487 HydrophobicContact CB-CD2 4.42Å; E455-L487 HydrophobicContact CB-CD2 4.08Å; L458-L487 HydrophobicContact CD1-CD2 3.65Å; F484-L487 HydrophobicContact CB-CB 4.5Å; F484-L487 WeakPolarHBondContact O-CB 3.45Å; F484-L487 PolarHBondContact O-N 3.39Å; S485-L487 PolarHBondContact O-N 3Å; L487-F489 HydrophobicContact CD2-CE1 4.39Å; L487-F489 HydrophobicContact CD2-CZ 4.32Å; L487-F489 WeakPolarHBondContact O-CD2 3.49Å; L487-F489 PolarHBondContact O-N 3.32Å; L487-Q529 PolarHBondContact O-NE2 3.29Å | ||
| 488 | K | 87 | Confident | 93.1 | Very high | 153 Ų | 153 | 49.7 Ų | 49.7 | 67% | 0.665 | 24% | 0.242 | S | C | * | . | trans | -81.2 | 107.1 | 172.2 | -63 | -173.2 | -179.4 | -176.3 | 0 | 109.8 | S486 H490 | S486-K488 PolarHBondContact O-N 3.3Å; K488-H490 PolarHBondContact O-CE1 3.27Å; K488-H490 PolarHBondContact O-N 3.22Å; K488-H490 PolarHBondContact O-ND1 3.17Å | ||
| 489 | F | 89.3 | Confident | 93 | Very high | 30 Ų | 30 | 49.7 Ų | 49.7 | 13% | 0.132 | 24% | 0.242 | C | C | . | . | trans | -72.8 | 120.1 | 175.7 | -69.7 | -94.1 | 0 | 0 | 0 | 110.5 | E455 L458 L487 N494 L495 A498 L525 | E455-F489 HydrophobicContact CG-CD1 4.09Å; L458-F489 HydrophobicContact CD1-CE1 4.18Å; L458-F489 HydrophobicContact CD1-CZ 4.01Å; L487-F489 HydrophobicContact CD2-CE1 4.39Å; L487-F489 HydrophobicContact CD2-CZ 4.32Å; L487-F489 WeakPolarHBondContact O-CD2 3.49Å; L487-F489 PolarHBondContact O-N 3.32Å; F489-N494 HydrophobicContact CD1-CB 4.06Å; F489-N494 HydrophobicContact CE1-CB 4.5Å; F489-L495 HydrophobicContact CB-CB 3.98Å; F489-L495 HydrophobicContact CD1-CB 4.16Å; F489-L495 HydrophobicContact CD2-CB 4.33Å; F489-L495 HydrophobicContact CD2-CD1 3.79Å; F489-L495 HydrophobicContact CE2-CD1 3.96Å; F489-L495 HydrophobicContact CG-CB 3.9Å; F489-L495 HydrophobicContact CG-CD1 4.24Å; F489-A498 HydrophobicContact CZ-CB 4.38Å; F489-L525 HydrophobicContact CE2-CD2 4.3Å | ||
| 490 | H | 88.6 | Confident | 92.9 | Very high | 152 Ų | 152 | 50.3 Ų | 50.3 | 70% | 0.704 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -84.9 | -29.9 | 174.7 | -58.3 | 84.2 | 0 | 0 | 0 | 111.4 | E455 K488 | E455-H490 IonicContact OE2-CG 3.88Å; E455-H490 PolarHBondContact OE2-N 3.15Å; E455-H490 IonicContact OE2-ND1 2.66Å; E455-H490 PolarHBondContact OE2-ND1 3.16Å; K488-H490 PolarHBondContact O-CE1 3.27Å; K488-H490 PolarHBondContact O-N 3.22Å; K488-H490 PolarHBondContact O-ND1 3.17Å |
| 491 | N | 90.4 | Very high | 92.9 | Very high | 69 Ų | 69 | 51.5 Ų | 51.5 | 37% | 0.369 | 25% | 0.254 | S | S | . | . | trans | -101.3 | 112.7 | 175.6 | -173.1 | -6.8 | 0 | 0 | 0 | 111 | E455 L493 N494 L495 | E455-N491 WeakPolarHBondContact OE1-CB 3.42Å; E455-N491 PolarHBondContact OE1-N 3.4Å; N491-L493 PolarHBondContact O-N 3.37Å; N491-L493 VanDerWaalsContact OD1-CB 3.31Å; N491-L493 WeakPolarHBondContact OD1-CB 3.09Å; N491-L493 PolarHBondContact OD1-N 3.29Å; N491-N494 HydrophobicContact CB-CB 4.21Å; N491-N494 WeakPolarHBondContact O-CB 3.5Å; N491-N494 PolarHBondContact O-N 3.49Å; N491-L495 PolarHBondContact O-N 2.69Å | ||
| 492 | E | 90.1 | Very high | 92.9 | Very high | 103 Ų | 103 | 51.4 Ų | 51.4 | 48% | 0.481 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -56.6 | -32.1 | 177.2 | -175 | 174.6 | 174.6 | 0 | 0 | 112.7 | N494 L495 R496 Y535 | E492-N494 VanDerWaalsContact C-N 3.3Å; E492-N494 PolarHBondContact O-N 3.3Å; E492-L495 PolarHBondContact O-N 2.95Å; E492-R496 WeakPolarHBondContact O-CB 3.28Å; E492-R496 PolarHBondContact O-N 3.42Å; E492-Y535 VanDerWaalsContact CD-OH 3.24Å; E492-Y535 WeakPolarHBondContact CG-OH 3.07Å; E492-Y535 PolarHBondContact OE1-OH 2.93Å |
| 493 | L | 92.5 | Very high | 93 | Very high | 97 Ų | 97 | 49.3 Ų | 49.3 | 51% | 0.508 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.7 | -34.1 | 175.7 | -174.1 | 64.4 | 0 | 0 | 0 | 112.1 | N491 N497 | N491-L493 PolarHBondContact O-N 3.37Å; N491-L493 VanDerWaalsContact OD1-CB 3.31Å; N491-L493 WeakPolarHBondContact OD1-CB 3.09Å; N491-L493 PolarHBondContact OD1-N 3.29Å; L493-N497 WeakPolarHBondContact O-CB 3.41Å; L493-N497 PolarHBondContact O-N 3.42Å; L493-N497 PolarHBondContact O-ND2 3.26Å |
| 494 | N | 94.1 | Very high | 93 | Very high | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.021 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -70.5 | -43.4 | 178.3 | -71.8 | -17.2 | 0 | 0 | 0 | 110.8 | E455 Q459 F463 F489 N491 E492 N497 A498 | E455-N494 HydrophobicContact CG-CB 4.36Å; E455-N494 PolarHBondContact OE1-ND2 3.27Å; Q459-N494 PolarHBondContact NE2-OD1 3.41Å; F463-N494 HydrophobicContact CE2-CB 4.36Å; F463-N494 WeakPolarHBondContact CZ-O 3.43Å; F489-N494 HydrophobicContact CD1-CB 4.06Å; F489-N494 HydrophobicContact CE1-CB 4.5Å; N491-N494 HydrophobicContact CB-CB 4.21Å; N491-N494 WeakPolarHBondContact O-CB 3.5Å; N491-N494 PolarHBondContact O-N 3.49Å; E492-N494 VanDerWaalsContact C-N 3.3Å; E492-N494 PolarHBondContact O-N 3.3Å; N494-N497 PolarHBondContact O-N 3.17Å; N494-A498 WeakPolarHBondContact O-CB 3.27Å; N494-A498 PolarHBondContact O-N 3.33Å |
| 495 | L | 93.9 | Very high | 93.1 | Very high | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.8 | -48.1 | 173.3 | 177.3 | 60.4 | 0 | 0 | 0 | 110.9 | F489 N491 E492 N497 A498 V499 Q529 Q531 A532 | F489-L495 HydrophobicContact CB-CB 3.98Å; F489-L495 HydrophobicContact CD1-CB 4.16Å; F489-L495 HydrophobicContact CD2-CB 4.33Å; F489-L495 HydrophobicContact CD2-CD1 3.79Å; F489-L495 HydrophobicContact CE2-CD1 3.96Å; F489-L495 HydrophobicContact CG-CB 3.9Å; F489-L495 HydrophobicContact CG-CD1 4.24Å; N491-L495 PolarHBondContact O-N 2.69Å; E492-L495 PolarHBondContact O-N 2.95Å; L495-N497 VanDerWaalsContact C-N 3.31Å; L495-N497 PolarHBondContact O-N 3.27Å; L495-A498 PolarHBondContact O-N 3.37Å; L495-V499 HydrophobicContact CD1-CG2 4.02Å; L495-V499 HydrophobicContact CG-CG2 4.5Å; L495-V499 WeakPolarHBondContact O-CG2 3.44Å; L495-V499 PolarHBondContact O-N 2.84Å; L495-Q529 HydrophobicContact CD1-CB 4.17Å; L495-Q529 HydrophobicContact CD1-CG 4.01Å; L495-Q529 HydrophobicContact CD2-CB 4.28Å; L495-Q531 HydrophobicContact CD2-CB 3.77Å; L495-A532 HydrophobicContact CD1-CB 4.4Å |
| 496 | R | 93.8 | Very high | 93.4 | Very high | 136 Ų | 136 | 52 Ų | 52 | 51% | 0.513 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -57.8 | -44.7 | 177.2 | -174.7 | 176.6 | 178.3 | 176.7 | 1.5 | 111.8 | E492 E500 Y535 | E492-R496 WeakPolarHBondContact O-CB 3.28Å; E492-R496 PolarHBondContact O-N 3.42Å; R496-E500 HydrophobicContact CG-CG 4.27Å; R496-E500 VanDerWaalsContact O-CB 3.27Å; R496-E500 WeakPolarHBondContact O-CB 3.26Å; R496-E500 WeakPolarHBondContact O-CG 3.35Å; R496-E500 PolarHBondContact O-N 3.07Å; R496-Y535 HydrophobicContact CB-CD2 4.24Å; R496-Y535 HydrophobicContact CB-CE2 3.74Å; R496-Y535 HydrophobicContact CG-CD2 4.29Å; R496-Y535 HydrophobicContact CG-CE2 4.14Å |
| 497 | N | 94.6 | Very high | 93.7 | Very high | 61 Ų | 61 | 51 Ų | 51 | 33% | 0.326 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.3 | -42.7 | 177.3 | -74 | -21 | 0 | 0 | 0 | 112.1 | F463 L493 N494 L495 V499 E500 L501 | F463-N497 HydrophobicContact CD2-CB 4.18Å; F463-N497 HydrophobicContact CE2-CB 4.01Å; L493-N497 WeakPolarHBondContact O-CB 3.41Å; L493-N497 PolarHBondContact O-N 3.42Å; L493-N497 PolarHBondContact O-ND2 3.26Å; N494-N497 PolarHBondContact O-N 3.17Å; L495-N497 VanDerWaalsContact C-N 3.31Å; L495-N497 PolarHBondContact O-N 3.27Å; N497-V499 PolarHBondContact O-N 3.05Å; N497-E500 PolarHBondContact O-N 3.01Å; N497-L501 VanDerWaalsContact O-CB 3.3Å; N497-L501 WeakPolarHBondContact O-CB 3.34Å; N497-L501 WeakPolarHBondContact O-CG 3.46Å; N497-L501 PolarHBondContact O-N 3.14Å |
| 498 | A | 95.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.1 | -49.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | F463 L481 F489 N494 L495 L501 A502 | F463-A498 HydrophobicContact CE1-CB 3.74Å; F463-A498 HydrophobicContact CZ-CB 3.8Å; L481-A498 HydrophobicContact CD2-CB 4.38Å; F489-A498 HydrophobicContact CZ-CB 4.38Å; N494-A498 WeakPolarHBondContact O-CB 3.27Å; N494-A498 PolarHBondContact O-N 3.33Å; L495-A498 PolarHBondContact O-N 3.37Å; A498-L501 PolarHBondContact O-N 2.65Å; A498-A502 WeakPolarHBondContact O-CB 3.45Å; A498-A502 PolarHBondContact O-N 2.96Å |
| 499 | V | 95.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.2 | -42.5 | -179.3 | 179.2 | 0 | 0 | 0 | 0 | 111.4 | L495 N497 L501 A502 K503 L522 L525 A532 M536 | L495-V499 HydrophobicContact CD1-CG2 4.02Å; L495-V499 HydrophobicContact CG-CG2 4.5Å; L495-V499 WeakPolarHBondContact O-CG2 3.44Å; L495-V499 PolarHBondContact O-N 2.84Å; N497-V499 PolarHBondContact O-N 3.05Å; V499-L501 PolarHBondContact O-N 3.42Å; V499-A502 PolarHBondContact O-N 3.28Å; V499-K503 VanDerWaalsContact O-CB 3.28Å; V499-K503 WeakPolarHBondContact O-CB 3.43Å; V499-K503 PolarHBondContact O-N 3.38Å; V499-L522 HydrophobicContact CG1-CD1 3.98Å; V499-L525 HydrophobicContact CG2-CD1 4.35Å; V499-A532 HydrophobicContact CG2-CB 3.63Å; V499-M536 HydrophobicContact CG1-CE 3.39Å; V499-M536 HydrophobicContact CG1-CG 3.4Å; V499-M536 VanDerWaalsContact CG1-CG 3.4Å; V499-M536 HydrophobicContact CG1-SD 3.45Å; V499-M536 WeakPolarHBondContact CG1-SD 3.36Å |
| 500 | E | 95.4 | Very high | 94.6 | Very high | 62 Ų | 62 | 58.8 Ų | 58.8 | 29% | 0.29 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.5 | -39 | 177 | -76.2 | -67.1 | 130.7 | 0 | 0 | 112.5 | R496 N497 K503 K504 M536 | R496-E500 HydrophobicContact CG-CG 4.27Å; R496-E500 VanDerWaalsContact O-CB 3.27Å; R496-E500 WeakPolarHBondContact O-CB 3.26Å; R496-E500 WeakPolarHBondContact O-CG 3.35Å; R496-E500 PolarHBondContact O-N 3.07Å; N497-E500 PolarHBondContact O-N 3.01Å; E500-K503 IonicContact OE1-NZ 3.33Å; E500-K503 PolarHBondContact OE1-NZ 3.13Å; E500-K503 WeakPolarHBondContact OE2-CE 3.48Å; E500-K503 IonicContact OE2-NZ 3.77Å; E500-K503 PolarHBondContact OE2-NZ 2.95Å; E500-K504 VanDerWaalsContact O-CB 3.25Å; E500-K504 WeakPolarHBondContact O-CB 3.16Å; E500-K504 PolarHBondContact O-N 3.09Å; E500-M536 WeakPolarHBondContact OE1-CE 3.49Å |
| 501 | L | 96.9 | Very high | 94.9 | Very high | 26 Ų | 26 | 53.9 Ų | 53.9 | 14% | 0.136 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -71 | -40.1 | 177.1 | -70.6 | 169.2 | 0 | 0 | 0 | 111.9 | F463 L466 L467 N497 A498 V499 K504 S505 | F463-L501 HydrophobicContact CB-CD1 3.62Å; F463-L501 HydrophobicContact CD1-CD1 4.16Å; F463-L501 HydrophobicContact CG-CD1 3.86Å; L466-L501 HydrophobicContact CB-CB 4.4Å; L466-L501 HydrophobicContact CD1-CB 3.74Å; L466-L501 HydrophobicContact CD1-CD1 4.06Å; L466-L501 HydrophobicContact CD1-CG 4.5Å; L467-L501 HydrophobicContact CD1-CD2 4.21Å; L467-L501 HydrophobicContact CD2-CD2 3.78Å; L467-L501 HydrophobicContact CG-CD2 3.97Å; N497-L501 VanDerWaalsContact O-CB 3.3Å; N497-L501 WeakPolarHBondContact O-CB 3.34Å; N497-L501 WeakPolarHBondContact O-CG 3.46Å; N497-L501 PolarHBondContact O-N 3.14Å; A498-L501 PolarHBondContact O-N 2.65Å; V499-L501 PolarHBondContact O-N 3.42Å; L501-K504 PolarHBondContact O-N 2.82Å; L501-S505 WeakPolarHBondContact O-CB 3.38Å; L501-S505 PolarHBondContact O-N 2.89Å; L501-S505 PolarHBondContact O-OG 3.45Å |
| 502 | A | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.5 | -49 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | A498 V499 K504 S505 L506 L522 | A498-A502 WeakPolarHBondContact O-CB 3.45Å; A498-A502 PolarHBondContact O-N 2.96Å; V499-A502 PolarHBondContact O-N 3.28Å; A502-K504 VanDerWaalsContact C-N 3.32Å; A502-K504 PolarHBondContact O-N 3.28Å; A502-S505 PolarHBondContact O-N 3.5Å; A502-S505 VanDerWaalsContact O-N 3.15Å; A502-L506 PolarHBondContact O-N 2.65Å; A502-L522 HydrophobicContact CB-CB 4.41Å; A502-L522 HydrophobicContact CB-CD1 4.32Å |
| 503 | K | 96.9 | Very high | 95.3 | Very high | 20 Ų | 20 | 46.7 Ų | 46.7 | 9% | 0.087 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -55.5 | -46.1 | 173.8 | -179.8 | -166.4 | 70.9 | -167.6 | 0 | 112 | V499 E500 S505 L506 I507 M536 H539 I543 | V499-K503 VanDerWaalsContact O-CB 3.28Å; V499-K503 WeakPolarHBondContact O-CB 3.43Å; V499-K503 PolarHBondContact O-N 3.38Å; E500-K503 IonicContact OE1-NZ 3.33Å; E500-K503 PolarHBondContact OE1-NZ 3.13Å; E500-K503 WeakPolarHBondContact OE2-CE 3.48Å; E500-K503 IonicContact OE2-NZ 3.77Å; E500-K503 PolarHBondContact OE2-NZ 2.95Å; K503-S505 VanDerWaalsContact C-N 3.33Å; K503-S505 PolarHBondContact O-N 3.24Å; K503-L506 PolarHBondContact O-N 3.1Å; K503-I507 HydrophobicContact CD-CD1 4.31Å; K503-I507 HydrophobicContact CG-CD1 3.69Å; K503-I507 HydrophobicContact CG-CG1 4.46Å; K503-I507 WeakPolarHBondContact O-CG1 3.49Å; K503-I507 PolarHBondContact O-N 3.14Å; K503-M536 HydrophobicContact CB-CE 4.5Å; K503-M536 HydrophobicContact CB-SD 3.9Å; K503-M536 HydrophobicContact CD-CE 3.91Å; K503-M536 HydrophobicContact CD-SD 3.83Å; K503-M536 HydrophobicContact CG-SD 4.08Å; K503-H539 HydrophobicContact CD-CB 3.98Å; K503-H539 PolarHBondContact NZ-CD2 3.47Å; K503-H539 PolarHBondContact NZ-NE2 3.26Å; K503-H539 VanDerWaalsContact NZ-NE2 3.14Å; K503-I543 HydrophobicContact CG-CD1 4.42Å |
| 504 | K | 96.4 | Very high | 95.5 | Very high | 90 Ų | 90 | 42.1 Ų | 42.1 | 39% | 0.391 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.3 | -43.3 | 178.6 | -176.3 | -180 | 178.7 | -172.6 | 0 | 111.4 | L467 E500 L501 A502 L506 I507 E508 | L467-K504 HydrophobicContact CD2-CD 4.48Å; E500-K504 VanDerWaalsContact O-CB 3.25Å; E500-K504 WeakPolarHBondContact O-CB 3.16Å; E500-K504 PolarHBondContact O-N 3.09Å; L501-K504 PolarHBondContact O-N 2.82Å; A502-K504 VanDerWaalsContact C-N 3.32Å; A502-K504 PolarHBondContact O-N 3.28Å; K504-L506 VanDerWaalsContact C-N 3.29Å; K504-L506 PolarHBondContact O-N 3.18Å; K504-I507 PolarHBondContact O-N 3.01Å; K504-E508 WeakPolarHBondContact CE-OE2 3.49Å; K504-E508 HydrophobicContact CG-CB 4.22Å; K504-E508 HydrophobicContact CG-CG 4.25Å; K504-E508 WeakPolarHBondContact O-CA 3.47Å; K504-E508 WeakPolarHBondContact O-CB 3.46Å; K504-E508 PolarHBondContact O-N 3.32Å |
| 505 | S | 97.2 | Very high | 95.7 | Very high | 6 Ų | 6 | 43 Ų | 43 | 4% | 0.042 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.9 | -33.5 | 178.3 | -53.2 | 0 | 0 | 0 | 0 | 111.8 | L501 A502 K503 D509 | L501-S505 WeakPolarHBondContact O-CB 3.38Å; L501-S505 PolarHBondContact O-N 2.89Å; L501-S505 PolarHBondContact O-OG 3.45Å; A502-S505 PolarHBondContact O-N 3.5Å; A502-S505 VanDerWaalsContact O-N 3.15Å; K503-S505 VanDerWaalsContact C-N 3.33Å; K503-S505 PolarHBondContact O-N 3.24Å; S505-D509 WeakPolarHBondContact O-CB 3.41Å |
| 506 | L | 97.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.7 | -50.6 | 174.5 | 179.5 | 58.4 | 0 | 0 | 0 | 112.1 | A502 K503 K504 K515 A518 A519 L522 I543 E546 L547 I550 | A502-L506 PolarHBondContact O-N 2.65Å; K503-L506 PolarHBondContact O-N 3.1Å; K504-L506 VanDerWaalsContact C-N 3.29Å; K504-L506 PolarHBondContact O-N 3.18Å; L506-K515 HydrophobicContact CD1-CB 4.42Å; L506-K515 WeakPolarHBondContact CD1-O 3.43Å; L506-A518 HydrophobicContact CB-CB 3.97Å; L506-A519 HydrophobicContact CD1-CB 3.93Å; L506-L522 HydrophobicContact CD2-CD2 3.8Å; L506-I543 HydrophobicContact CD2-CG2 3.84Å; L506-E546 HydrophobicContact CD1-CG 4.37Å; L506-E546 HydrophobicContact CG-CG 4.46Å; L506-E546 WeakPolarHBondContact O-CG 3.35Å; L506-L547 HydrophobicContact CD1-CD2 4.13Å; L506-L547 HydrophobicContact CD2-CD2 4.18Å; L506-I550 HydrophobicContact CD1-CD1 3.54Å |
| 507 | I | 96.1 | Very high | 95.9 | Very high | 52 Ų | 52 | 36.5 Ų | 36.5 | 27% | 0.267 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -87.2 | -40.2 | -168.9 | -60 | 174.6 | 0 | 0 | 0 | 113 | K503 K504 P542 I543 | K503-I507 HydrophobicContact CD-CD1 4.31Å; K503-I507 HydrophobicContact CG-CD1 3.69Å; K503-I507 HydrophobicContact CG-CG1 4.46Å; K503-I507 WeakPolarHBondContact O-CG1 3.49Å; K503-I507 PolarHBondContact O-N 3.14Å; K504-I507 PolarHBondContact O-N 3.01Å; I507-P542 HydrophobicContact CD1-CB 4.33Å; I507-I543 HydrophobicContact CD1-CG1 4.02Å |
| 508 | E | 95.4 | Very high | 96 | Very high | 133 Ų | 133 | 33.6 Ų | 33.6 | 62% | 0.621 | 16% | 0.156 | S | C | * | . | H | α-helix | trans | -102.4 | -15.3 | -168.2 | -60.3 | -178.9 | -164.9 | 0 | 0 | 114.1 | K504 | K504-E508 WeakPolarHBondContact CE-OE2 3.49Å; K504-E508 HydrophobicContact CG-CB 4.22Å; K504-E508 HydrophobicContact CG-CG 4.25Å; K504-E508 WeakPolarHBondContact O-CA 3.47Å; K504-E508 WeakPolarHBondContact O-CB 3.46Å; K504-E508 PolarHBondContact O-N 3.32Å |
| 509 | D | 96.1 | Very high | 96.1 | Very high | 23 Ų | 23 | 33.6 Ų | 33.6 | 12% | 0.123 | 16% | 0.156 | C | C | . | . | trans | -68.5 | 157.9 | -179.8 | -150.4 | -62.3 | 0 | 0 | 0 | 111.4 | R474 S505 E511 V514 K515 | R474-D509 IonicContact CZ-OD1 2.71Å; R474-D509 IonicContact CZ-OD2 2.72Å; R474-D509 VanDerWaalsContact CZ-OD2 3.29Å; R474-D509 IonicContact NE-OD2 3.73Å; R474-D509 PolarHBondContact NE-OD2 3.02Å; R474-D509 IonicContact NH2-OD1 3.06Å; R474-D509 PolarHBondContact NH2-OD1 3.38Å; R474-D509 IonicContact NH2-OD2 2.93Å; R474-D509 PolarHBondContact NH2-OD2 3.17Å; S505-D509 WeakPolarHBondContact O-CB 3.41Å; D509-E511 PolarHBondContact OD1-N 3.11Å; D509-V514 HydrophobicContact CB-CB 4.49Å; D509-V514 HydrophobicContact CB-CG1 4.29Å; D509-V514 WeakPolarHBondContact OD2-CG1 3.39Å; D509-K515 HydrophobicContact CB-CG 4.38Å; D509-K515 WeakPolarHBondContact O-CE 3.48Å; D509-K515 PolarHBondContact O-NZ 3.03Å | ||
| 510 | K | 93.3 | Very high | 96.1 | Very high | 195 Ų | 195 | 34.4 Ų | 34.4 | 85% | 0.848 | 16% | 0.16 | S | C | * | . | S | Bend | trans | -104 | -22.4 | 179.4 | -62.8 | 180 | -177.8 | 177.3 | 0 | 112.1 | ||
| 511 | E | 94.9 | Very high | 96.2 | Very high | 49 Ų | 49 | 31.4 Ų | 31.4 | 23% | 0.229 | 15% | 0.146 | C | C | . | . | trans | -92.3 | 118.1 | -174.2 | -63.3 | -178 | 92.2 | 0 | 0 | 109.3 | W369 G471 R474 D509 P513 V514 K515 | W369-E511 HydrophobicContact CZ2-CB 4.28Å; W369-E511 PolarHBondContact NE1-OE1 3.03Å; G471-E511 WeakPolarHBondContact CA-OE2 3.45Å; G471-E511 PolarHBondContact N-OE2 3.41Å; R474-E511 IonicContact CZ-OE2 2.84Å; R474-E511 IonicContact NH1-OE2 2.64Å; R474-E511 IonicContact NH2-OE2 3.42Å; R474-E511 PolarHBondContact NH2-OE2 3.23Å; D509-E511 PolarHBondContact OD1-N 3.11Å; E511-P513 VanDerWaalsContact C-CD 3.47Å; E511-V514 HydrophobicContact CB-CG2 3.92Å; E511-V514 WeakPolarHBondContact O-CB 3.4Å; E511-V514 PolarHBondContact O-N 3Å; E511-V514 VanDerWaalsContact O-N 3.13Å; E511-K515 PolarHBondContact O-N 3.06Å | ||
| 512 | M | 94.6 | Very high | 96.2 | Very high | 16 Ų | 16 | 30.3 Ų | 30.3 | 8% | 0.079 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.4 | -41.9 | -174.7 | -166.8 | 61.4 | 75.7 | 0 | 0 | 114 | Y374 I377 V514 K515 V516 I550 E553 T554 | Y374-M512 HydrophobicContact CD1-CG 4.4Å; Y374-M512 HydrophobicContact CE1-CB 4.34Å; Y374-M512 HydrophobicContact CE1-CE 4.09Å; Y374-M512 HydrophobicContact CE1-CG 3.89Å; I377-M512 HydrophobicContact CD1-CB 4.04Å; I377-M512 HydrophobicContact CD1-CG 3.67Å; M512-V514 PolarHBondContact O-N 3.14Å; M512-K515 WeakPolarHBondContact O-CB 3.5Å; M512-K515 PolarHBondContact O-N 3.13Å; M512-K515 HydrophobicContact SD-CD 4.3Å; M512-V516 PolarHBondContact O-N 3.33Å; M512-V516 VanDerWaalsContact O-N 3.12Å; M512-I550 HydrophobicContact SD-CB 4.42Å; M512-I550 HydrophobicContact SD-CG1 3.96Å; M512-I550 HydrophobicContact SD-CG2 4.23Å; M512-E553 HydrophobicContact CE-CB 3.93Å; M512-E553 HydrophobicContact CE-CG 4.26Å; M512-T554 HydrophobicContact CG-CG2 3.32Å; M512-T554 HydrophobicContact SD-CG2 3.83Å |
| 513 | P | 95.3 | Very high | 96.1 | Very high | 6 Ų | 6 | 31.1 Ų | 31.1 | 4% | 0.039 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.6 | -27.2 | 179.7 | -16.8 | 28 | 0 | 0 | 0 | 113 | W369 P373 Y376 I377 E511 E517 | W369-P513 HydrophobicContact CD2-CG 4.34Å; W369-P513 HydrophobicContact CE3-CB 4.22Å; W369-P513 HydrophobicContact CE3-CG 4.1Å; W369-P513 HydrophobicContact CH2-CB 3.47Å; W369-P513 VanDerWaalsContact CH2-CB 3.47Å; W369-P513 HydrophobicContact CH2-CG 3.85Å; W369-P513 HydrophobicContact CZ2-CB 4.14Å; W369-P513 HydrophobicContact CZ2-CG 4.06Å; W369-P513 HydrophobicContact CZ3-CB 3.51Å; W369-P513 HydrophobicContact CZ3-CG 3.86Å; P373-P513 HydrophobicContact CB-CG 4.02Å; Y376-P513 HydrophobicContact CD1-CB 4.01Å; Y376-P513 HydrophobicContact CD1-CG 4.05Å; Y376-P513 HydrophobicContact CE1-CB 4.24Å; I377-P513 HydrophobicContact CD1-CB 4.24Å; I377-P513 HydrophobicContact CD1-CG 4.04Å; I377-P513 HydrophobicContact CG1-CB 3.93Å; I377-P513 HydrophobicContact CG1-CG 3.95Å; E511-P513 VanDerWaalsContact C-CD 3.47Å; P513-E517 WeakPolarHBondContact O-CG 3.41Å; P513-E517 PolarHBondContact O-N 3.49Å |
| 514 | V | 97 | Very high | 95.9 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -68.9 | -41.1 | 174.1 | -176.3 | 0 | 0 | 0 | 0 | 110.6 | W369 G471 R474 A475 D509 E511 M512 E517 A518 | W369-V514 HydrophobicContact CH2-CG2 4.16Å; W369-V514 HydrophobicContact CZ2-CG2 4.09Å; G471-V514 WeakPolarHBondContact O-CG2 3.27Å; R474-V514 HydrophobicContact CB-CG1 3.8Å; R474-V514 HydrophobicContact CB-CG2 4.19Å; A475-V514 HydrophobicContact CB-CG2 4.07Å; D509-V514 HydrophobicContact CB-CB 4.49Å; D509-V514 HydrophobicContact CB-CG1 4.29Å; D509-V514 WeakPolarHBondContact OD2-CG1 3.39Å; E511-V514 HydrophobicContact CB-CG2 3.92Å; E511-V514 WeakPolarHBondContact O-CB 3.4Å; E511-V514 PolarHBondContact O-N 3Å; E511-V514 VanDerWaalsContact O-N 3.13Å; M512-V514 PolarHBondContact O-N 3.14Å; V514-E517 PolarHBondContact O-N 3.35Å; V514-A518 VanDerWaalsContact O-CB 3.24Å; V514-A518 WeakPolarHBondContact O-CB 3.43Å; V514-A518 PolarHBondContact O-N 3.42Å |
| 515 | K | 97.4 | Very high | 95.8 | Very high | 22 Ų | 22 | 26.4 Ų | 26.4 | 10% | 0.096 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.2 | -42.7 | 179.3 | -64.8 | -172.1 | 175.9 | -175.6 | 0 | 112.2 | L506 D509 E511 M512 A518 A519 E546 I550 | L506-K515 HydrophobicContact CD1-CB 4.42Å; L506-K515 WeakPolarHBondContact CD1-O 3.43Å; D509-K515 HydrophobicContact CB-CG 4.38Å; D509-K515 WeakPolarHBondContact O-CE 3.48Å; D509-K515 PolarHBondContact O-NZ 3.03Å; E511-K515 PolarHBondContact O-N 3.06Å; M512-K515 WeakPolarHBondContact O-CB 3.5Å; M512-K515 PolarHBondContact O-N 3.13Å; M512-K515 HydrophobicContact SD-CD 4.3Å; K515-A518 PolarHBondContact O-N 2.59Å; K515-A519 WeakPolarHBondContact O-CB 3.27Å; K515-A519 PolarHBondContact O-N 3.5Å; K515-E546 IonicContact NZ-OE1 3.91Å; K515-E546 PolarHBondContact NZ-OE1 2.85Å; K515-I550 HydrophobicContact CB-CD1 3.74Å; K515-I550 HydrophobicContact CB-CG1 4.26Å; K515-I550 HydrophobicContact CD-CD1 4.49Å; K515-I550 HydrophobicContact CD-CG1 4.47Å |
| 516 | V | 96 | Very high | 95.6 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60 | -50.1 | 176.8 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | I377 F381 M512 A518 A519 L520 I550 T554 V559 | I377-V516 HydrophobicContact CD1-CG2 4.02Å; I377-V516 HydrophobicContact CG2-CG2 4.4Å; F381-V516 HydrophobicContact CE2-CG1 3.66Å; F381-V516 HydrophobicContact CZ-CG1 3.7Å; M512-V516 PolarHBondContact O-N 3.33Å; M512-V516 VanDerWaalsContact O-N 3.12Å; V516-A518 VanDerWaalsContact C-N 3.31Å; V516-A518 PolarHBondContact O-N 2.87Å; V516-A519 WeakPolarHBondContact O-CB 3.31Å; V516-A519 PolarHBondContact O-N 3.07Å; V516-A519 VanDerWaalsContact O-N 3.15Å; V516-L520 HydrophobicContact CG1-CD1 4.47Å; V516-L520 PolarHBondContact O-N 3.31Å; V516-L520 VanDerWaalsContact O-N 3.17Å; V516-I550 HydrophobicContact CG2-CG2 3.66Å; V516-T554 HydrophobicContact CG2-CG2 4.24Å; V516-V559 HydrophobicContact CG1-CG2 4.05Å; V516-V559 HydrophobicContact CG2-CG2 4.36Å |
| 517 | E | 96.3 | Very high | 95.4 | Very high | 4 Ų | 4 | 28.2 Ų | 28.2 | 2% | 0.019 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.3 | -37.4 | 177.4 | -72.8 | -69.7 | -177 | 0 | 0 | 112.8 | K380 A475 C478 W479 P513 V514 A519 L520 A521 | K380-E517 VanDerWaalsContact CE-OE1 3.3Å; K380-E517 WeakPolarHBondContact CE-OE1 3.38Å; K380-E517 IonicContact NZ-OE1 4Å; K380-E517 PolarHBondContact NZ-OE1 3.46Å; A475-E517 HydrophobicContact CB-CB 4.47Å; A475-E517 HydrophobicContact CB-CG 4.17Å; C478-E517 HydrophobicContact CB-CB 3.7Å; W479-E517 WeakPolarHBondContact CB-OE2 3.11Å; P513-E517 WeakPolarHBondContact O-CG 3.41Å; P513-E517 PolarHBondContact O-N 3.49Å; V514-E517 PolarHBondContact O-N 3.35Å; E517-A519 VanDerWaalsContact C-N 3.33Å; E517-L520 PolarHBondContact O-N 2.8Å; E517-A521 WeakPolarHBondContact O-CB 3.49Å; E517-A521 PolarHBondContact O-N 2.66Å |
| 518 | A | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.5 | -36.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L506 V514 K515 V516 L522 | L506-A518 HydrophobicContact CB-CB 3.97Å; V514-A518 VanDerWaalsContact O-CB 3.24Å; V514-A518 WeakPolarHBondContact O-CB 3.43Å; V514-A518 PolarHBondContact O-N 3.42Å; K515-A518 PolarHBondContact O-N 2.59Å; V516-A518 VanDerWaalsContact C-N 3.31Å; V516-A518 PolarHBondContact O-N 2.87Å; A518-L522 WeakPolarHBondContact O-CB 3.4Å; A518-L522 PolarHBondContact O-N 3.14Å |
| 519 | A | 96.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.008 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.3 | -50.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L506 K515 V516 E517 L522 Q523 L547 V562 | L506-A519 HydrophobicContact CD1-CB 3.93Å; K515-A519 WeakPolarHBondContact O-CB 3.27Å; K515-A519 PolarHBondContact O-N 3.5Å; V516-A519 WeakPolarHBondContact O-CB 3.31Å; V516-A519 PolarHBondContact O-N 3.07Å; V516-A519 VanDerWaalsContact O-N 3.15Å; E517-A519 VanDerWaalsContact C-N 3.33Å; A519-L522 PolarHBondContact O-N 2.97Å; A519-Q523 PolarHBondContact O-N 3.4Å; A519-L547 HydrophobicContact CB-CD2 3.45Å; A519-L547 VanDerWaalsContact CB-CD2 3.45Å; A519-V562 HydrophobicContact CB-CG1 4.24Å |
| 520 | L | 95.7 | Very high | 94.4 | Very high | 16 Ų | 16 | 30.3 Ų | 30.3 | 8% | 0.084 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.4 | -46.8 | 177.7 | -65.7 | 168.1 | 0 | 0 | 0 | 111.7 | F381 V516 E517 L522 Q523 S524 D558 V562 | F381-L520 HydrophobicContact CE1-CD1 3.52Å; F381-L520 HydrophobicContact CZ-CD1 3.69Å; V516-L520 HydrophobicContact CG1-CD1 4.47Å; V516-L520 PolarHBondContact O-N 3.31Å; V516-L520 VanDerWaalsContact O-N 3.17Å; E517-L520 PolarHBondContact O-N 2.8Å; L520-L522 VanDerWaalsContact C-N 3.34Å; L520-L522 PolarHBondContact O-N 3.01Å; L520-Q523 PolarHBondContact O-N 3.49Å; L520-S524 WeakPolarHBondContact O-CB 3.47Å; L520-S524 PolarHBondContact O-N 3.43Å; L520-D558 HydrophobicContact CD2-CB 4.04Å; L520-V562 HydrophobicContact CD2-CG2 3.6Å; L520-V562 HydrophobicContact CG-CG2 4.32Å |
| 521 | A | 96.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.1 | -42.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | C478 L481 H482 E517 S524 L525 | C478-A521 HydrophobicContact CB-CB 4.38Å; C478-A521 VanDerWaalsContact O-CB 3.27Å; C478-A521 WeakPolarHBondContact O-CB 3.32Å; L481-A521 HydrophobicContact CB-CB 4.23Å; H482-A521 HydrophobicContact CB-CB 4.06Å; E517-A521 WeakPolarHBondContact O-CB 3.49Å; E517-A521 PolarHBondContact O-N 2.66Å; A521-S524 PolarHBondContact O-N 2.78Å; A521-L525 WeakPolarHBondContact O-CB 3.45Å; A521-L525 VanDerWaalsContact O-CG 3.27Å; A521-L525 WeakPolarHBondContact O-CG 3.47Å; A521-L525 PolarHBondContact O-N 3.25Å |
| 522 | L | 96.1 | Very high | 94 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.7 | -45.7 | -178.8 | -174.9 | 61.2 | 0 | 0 | 0 | 111.5 | V499 A502 L506 A518 A519 L520 S524 L525 I526 M536 I543 | V499-L522 HydrophobicContact CG1-CD1 3.98Å; A502-L522 HydrophobicContact CB-CB 4.41Å; A502-L522 HydrophobicContact CB-CD1 4.32Å; L506-L522 HydrophobicContact CD2-CD2 3.8Å; A518-L522 WeakPolarHBondContact O-CB 3.4Å; A518-L522 PolarHBondContact O-N 3.14Å; A519-L522 PolarHBondContact O-N 2.97Å; L520-L522 VanDerWaalsContact C-N 3.34Å; L520-L522 PolarHBondContact O-N 3.01Å; L522-S524 VanDerWaalsContact C-N 3.34Å; L522-S524 PolarHBondContact O-N 3.06Å; L522-L525 PolarHBondContact O-N 2.73Å; L522-I526 HydrophobicContact CD1-CD1 4Å; L522-I526 HydrophobicContact CD1-CG1 4.4Å; L522-I526 HydrophobicContact CG-CD1 3.79Å; L522-I526 WeakPolarHBondContact O-CB 3.22Å; L522-I526 WeakPolarHBondContact O-CD1 2.87Å; L522-I526 WeakPolarHBondContact O-CG1 3.44Å; L522-I526 PolarHBondContact O-N 2.84Å; L522-M536 HydrophobicContact CD1-CG 4.12Å; L522-M536 HydrophobicContact CD1-SD 4.03Å; L522-I543 HydrophobicContact CD2-CD1 3.95Å; L522-I543 HydrophobicContact CD2-CG1 4.33Å; L522-I543 HydrophobicContact CD2-CG2 4.27Å |
| 523 | Q | 94.9 | Very high | 93.8 | Very high | 17 Ų | 17 | 24.4 Ų | 24.4 | 8% | 0.079 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59 | -47 | 175.2 | 172.4 | -85 | -64.1 | 0 | 0 | 111.4 | A519 L520 L525 I526 S527 V562 K565 | A519-Q523 PolarHBondContact O-N 3.4Å; L520-Q523 PolarHBondContact O-N 3.49Å; Q523-L525 VanDerWaalsContact C-N 3.34Å; Q523-L525 PolarHBondContact O-N 2.79Å; Q523-I526 PolarHBondContact O-N 3.21Å; Q523-S527 PolarHBondContact NE2-OG 3.05Å; Q523-S527 PolarHBondContact O-N 3.45Å; Q523-S527 PolarHBondContact O-OG 3.48Å; Q523-S527 VanDerWaalsContact O-OG 3.13Å; Q523-V562 HydrophobicContact CB-CB 4.47Å; Q523-V562 HydrophobicContact CB-CG1 3.95Å; Q523-V562 HydrophobicContact CB-CG2 4.19Å; Q523-V562 HydrophobicContact CG-CG1 4.5Å; Q523-V562 HydrophobicContact CG-CG2 4.47Å; Q523-K565 HydrophobicContact CG-CB 3.77Å; Q523-K565 HydrophobicContact CG-CD 3.89Å; Q523-K565 HydrophobicContact CG-CG 4.46Å; Q523-K565 VanDerWaalsContact NE2-CD 3.28Å |
| 524 | S | 93.8 | Very high | 93.6 | Very high | 11 Ų | 11 | 30 Ų | 30 | 8% | 0.077 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.6 | -40.4 | -179.5 | -162.3 | 0 | 0 | 0 | 0 | 112.3 | H482 S485 L520 A521 L522 N528 | H482-S524 PolarHBondContact CD2-OG 2.99Å; S485-S524 WeakPolarHBondContact CB-OG 3.37Å; S485-S524 PolarHBondContact OG-OG 3.17Å; L520-S524 WeakPolarHBondContact O-CB 3.47Å; L520-S524 PolarHBondContact O-N 3.43Å; A521-S524 PolarHBondContact O-N 2.78Å; L522-S524 VanDerWaalsContact C-N 3.34Å; L522-S524 PolarHBondContact O-N 3.06Å; S524-N528 WeakPolarHBondContact O-CB 3.46Å; S524-N528 PolarHBondContact O-N 3.15Å; S524-N528 VanDerWaalsContact O-N 3.11Å; S524-N528 PolarHBondContact O-ND2 2.87Å; S524-N528 VanDerWaalsContact O-ND2 3.15Å |
| 525 | L | 94.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.9 | -41.5 | 174.2 | -74.1 | 169.3 | 0 | 0 | 0 | 112.6 | F489 V499 A521 L522 Q523 Q529 | F489-L525 HydrophobicContact CE2-CD2 4.3Å; V499-L525 HydrophobicContact CG2-CD1 4.35Å; A521-L525 WeakPolarHBondContact O-CB 3.45Å; A521-L525 VanDerWaalsContact O-CG 3.27Å; A521-L525 WeakPolarHBondContact O-CG 3.47Å; A521-L525 PolarHBondContact O-N 3.25Å; L522-L525 PolarHBondContact O-N 2.73Å; Q523-L525 VanDerWaalsContact C-N 3.34Å; Q523-L525 PolarHBondContact O-N 2.79Å; L525-Q529 VanDerWaalsContact O-CB 3.27Å; L525-Q529 WeakPolarHBondContact O-CB 3.24Å; L525-Q529 WeakPolarHBondContact O-CG 3.29Å; L525-Q529 PolarHBondContact O-N 3.46Å |
| 526 | I | 93.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.4 | -46.9 | 178.9 | -72.3 | 168 | 0 | 0 | 0 | 110.3 | L522 Q523 N528 K533 M536 M566 E569 Y570 | L522-I526 HydrophobicContact CD1-CD1 4Å; L522-I526 HydrophobicContact CD1-CG1 4.4Å; L522-I526 HydrophobicContact CG-CD1 3.79Å; L522-I526 WeakPolarHBondContact O-CB 3.22Å; L522-I526 WeakPolarHBondContact O-CD1 2.87Å; L522-I526 WeakPolarHBondContact O-CG1 3.44Å; L522-I526 PolarHBondContact O-N 2.84Å; Q523-I526 PolarHBondContact O-N 3.21Å; I526-N528 VanDerWaalsContact C-N 3.35Å; I526-N528 PolarHBondContact O-N 2.97Å; I526-K533 HydrophobicContact CG2-CG 3.94Å; I526-K533 WeakPolarHBondContact O-CE 3.48Å; I526-K533 WeakPolarHBondContact O-CG 3.36Å; I526-M536 HydrophobicContact CD1-CB 4.2Å; I526-M536 HydrophobicContact CD1-CG 4.06Å; I526-M536 HydrophobicContact CG1-CG 4.35Å; I526-M566 HydrophobicContact CD1-CE 3.61Å; I526-M566 HydrophobicContact CD1-SD 3.5Å; I526-M566 WeakPolarHBondContact CD1-SD 3.44Å; I526-M566 HydrophobicContact CG2-SD 4.34Å; I526-E569 HydrophobicContact CG2-CB 4.26Å; I526-E569 HydrophobicContact CG2-CG 4.31Å; I526-Y570 HydrophobicContact CD1-CE2 4.15Å; I526-Y570 HydrophobicContact CG2-CE2 3.87Å |
| 527 | S | 91.4 | Very high | 93 | Very high | 43 Ų | 43 | 35 Ų | 35 | 30% | 0.301 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -62.5 | -40.2 | 179.3 | -61.3 | 0 | 0 | 0 | 0 | 112.2 | Q523 | Q523-S527 PolarHBondContact NE2-OG 3.05Å; Q523-S527 PolarHBondContact O-N 3.45Å; Q523-S527 PolarHBondContact O-OG 3.48Å; Q523-S527 VanDerWaalsContact O-OG 3.13Å |
| 528 | N | 89.9 | Confident | 92.9 | Very high | 84 Ų | 84 | 39.5 Ų | 39.5 | 45% | 0.449 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -86.9 | -18.5 | -175.3 | -71.8 | -39.8 | 0 | 0 | 0 | 114.7 | S485 S524 I526 | S485-N528 PolarHBondContact OG-ND2 2.87Å; S485-N528 VanDerWaalsContact OG-ND2 3.09Å; S524-N528 WeakPolarHBondContact O-CB 3.46Å; S524-N528 PolarHBondContact O-N 3.15Å; S524-N528 VanDerWaalsContact O-N 3.11Å; S524-N528 PolarHBondContact O-ND2 2.87Å; S524-N528 VanDerWaalsContact O-ND2 3.15Å; I526-N528 VanDerWaalsContact C-N 3.35Å; I526-N528 PolarHBondContact O-N 2.97Å |
| 529 | Q | 88 | Confident | 92.7 | Very high | 31 Ų | 31 | 42.4 Ų | 42.4 | 15% | 0.145 | 22% | 0.215 | C | C | . | . | trans | -130.8 | 112.7 | -171.8 | -52.5 | -71.3 | -23.7 | 0 | 0 | 112.6 | S485 L487 L495 L525 Q531 A532 K533 | S485-Q529 PolarHBondContact O-NE2 3.4Å; L487-Q529 PolarHBondContact O-NE2 3.29Å; L495-Q529 HydrophobicContact CD1-CB 4.17Å; L495-Q529 HydrophobicContact CD1-CG 4.01Å; L495-Q529 HydrophobicContact CD2-CB 4.28Å; L525-Q529 VanDerWaalsContact O-CB 3.27Å; L525-Q529 WeakPolarHBondContact O-CB 3.24Å; L525-Q529 WeakPolarHBondContact O-CG 3.29Å; L525-Q529 PolarHBondContact O-N 3.46Å; Q529-Q531 VanDerWaalsContact C-N 3.34Å; Q529-Q531 PolarHBondContact O-N 3.42Å; Q529-A532 HydrophobicContact CB-CB 3.9Å; Q529-A532 WeakPolarHBondContact O-CB 3.18Å; Q529-A532 PolarHBondContact O-N 2.92Å; Q529-A532 VanDerWaalsContact O-N 3.08Å; Q529-K533 PolarHBondContact O-N 2.86Å | ||
| 530 | I | 88.3 | Confident | 92.5 | Very high | 138 Ų | 138 | 42.5 Ų | 42.5 | 71% | 0.708 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -58.1 | -42.3 | -178.9 | -60.4 | 170.9 | 0 | 0 | 0 | 112.3 | A532 K533 | I530-A532 VanDerWaalsContact C-N 3.3Å; I530-A532 PolarHBondContact O-N 3.4Å; I530-K533 VanDerWaalsContact O-CB 3.29Å; I530-K533 WeakPolarHBondContact O-CB 3.42Å; I530-K533 PolarHBondContact O-N 3.36Å; I530-K533 VanDerWaalsContact O-N 3.14Å |
| 531 | Q | 90.2 | Very high | 92.3 | Very high | 89 Ų | 89 | 48 Ų | 48 | 42% | 0.416 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -67.5 | -29.2 | 180 | -72.9 | -176 | -21.2 | 0 | 0 | 113 | L495 Q529 K533 E534 Y535 | L495-Q531 HydrophobicContact CD2-CB 3.77Å; Q529-Q531 VanDerWaalsContact C-N 3.34Å; Q529-Q531 PolarHBondContact O-N 3.42Å; Q531-K533 PolarHBondContact O-N 3.49Å; Q531-E534 PolarHBondContact O-N 3.29Å; Q531-Y535 HydrophobicContact CB-CE2 4.46Å; Q531-Y535 WeakPolarHBondContact O-CD2 3.38Å; Q531-Y535 PolarHBondContact O-N 3.49Å |
| 532 | A | 90.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.5 | -37 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | L495 V499 Q529 I530 E534 Y535 M536 | L495-A532 HydrophobicContact CD1-CB 4.4Å; V499-A532 HydrophobicContact CG2-CB 3.63Å; Q529-A532 HydrophobicContact CB-CB 3.9Å; Q529-A532 WeakPolarHBondContact O-CB 3.18Å; Q529-A532 PolarHBondContact O-N 2.92Å; Q529-A532 VanDerWaalsContact O-N 3.08Å; I530-A532 VanDerWaalsContact C-N 3.3Å; I530-A532 PolarHBondContact O-N 3.4Å; A532-E534 VanDerWaalsContact C-N 3.33Å; A532-E534 PolarHBondContact O-N 3.22Å; A532-Y535 PolarHBondContact O-N 2.98Å; A532-M536 PolarHBondContact O-N 2.82Å |
| 533 | K | 90.8 | Very high | 92.1 | Very high | 47 Ų | 47 | 50.1 Ų | 50.1 | 20% | 0.204 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.7 | -48.1 | 177.7 | -55.1 | -171.6 | 177 | -177.4 | 0 | 111.4 | I526 Q529 I530 Q531 Y535 M536 K537 E569 Y570 | I526-K533 HydrophobicContact CG2-CG 3.94Å; I526-K533 WeakPolarHBondContact O-CE 3.48Å; I526-K533 WeakPolarHBondContact O-CG 3.36Å; Q529-K533 PolarHBondContact O-N 2.86Å; I530-K533 VanDerWaalsContact O-CB 3.29Å; I530-K533 WeakPolarHBondContact O-CB 3.42Å; I530-K533 PolarHBondContact O-N 3.36Å; I530-K533 VanDerWaalsContact O-N 3.14Å; Q531-K533 PolarHBondContact O-N 3.49Å; K533-Y535 PolarHBondContact O-N 3.07Å; K533-M536 PolarHBondContact O-N 2.61Å; K533-K537 PolarHBondContact O-N 2.93Å; K533-E569 WeakPolarHBondContact CE-OE1 3.36Å; K533-E569 VanDerWaalsContact CE-OE2 3.25Å; K533-E569 WeakPolarHBondContact CE-OE2 3.34Å; K533-E569 IonicContact NZ-OE1 3.95Å; K533-E569 PolarHBondContact NZ-OE1 3.32Å; K533-E569 IonicContact NZ-OE2 3.29Å; K533-E569 PolarHBondContact NZ-OE2 3Å; K533-Y570 WeakPolarHBondContact CA-OH 3.48Å; K533-Y570 WeakPolarHBondContact O-CE1 3.45Å; K533-Y570 PolarHBondContact O-OH 3.47Å |
| 534 | E | 91.5 | Very high | 92 | Very high | 122 Ų | 122 | 49.4 Ų | 49.4 | 57% | 0.57 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -63.4 | -40.9 | -179.9 | -67.4 | -60.2 | 135.6 | 0 | 0 | 113 | Q531 A532 M536 K537 | Q531-E534 PolarHBondContact O-N 3.29Å; A532-E534 VanDerWaalsContact C-N 3.33Å; A532-E534 PolarHBondContact O-N 3.22Å; E534-M536 VanDerWaalsContact C-N 3.3Å; E534-M536 PolarHBondContact O-N 3.42Å; E534-K537 WeakPolarHBondContact O-CB 3.45Å |
| 535 | Y | 92.2 | Very high | 91.8 | Very high | 48 Ų | 48 | 54 Ų | 54 | 19% | 0.188 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.8 | -32.8 | 178.7 | -60.6 | -30.8 | 0 | 0 | 0 | 113 | E492 R496 Q531 A532 K533 P538 | E492-Y535 VanDerWaalsContact CD-OH 3.24Å; E492-Y535 WeakPolarHBondContact CG-OH 3.07Å; E492-Y535 PolarHBondContact OE1-OH 2.93Å; R496-Y535 HydrophobicContact CB-CD2 4.24Å; R496-Y535 HydrophobicContact CB-CE2 3.74Å; R496-Y535 HydrophobicContact CG-CD2 4.29Å; R496-Y535 HydrophobicContact CG-CE2 4.14Å; Q531-Y535 HydrophobicContact CB-CE2 4.46Å; Q531-Y535 WeakPolarHBondContact O-CD2 3.38Å; Q531-Y535 PolarHBondContact O-N 3.49Å; A532-Y535 PolarHBondContact O-N 2.98Å; K533-Y535 PolarHBondContact O-N 3.07Å; Y535-P538 WeakPolarHBondContact O-CD 3.28Å |
| 536 | M | 93.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -88.8 | -18 | -177.1 | -67.3 | -58.9 | 92.8 | 0 | 0 | 113.9 | V499 E500 K503 L522 I526 A532 K533 E534 P538 H539 V540 I543 Y570 | V499-M536 HydrophobicContact CG1-CE 3.39Å; V499-M536 HydrophobicContact CG1-CG 3.4Å; V499-M536 VanDerWaalsContact CG1-CG 3.4Å; V499-M536 HydrophobicContact CG1-SD 3.45Å; V499-M536 WeakPolarHBondContact CG1-SD 3.36Å; E500-M536 WeakPolarHBondContact OE1-CE 3.49Å; K503-M536 HydrophobicContact CB-CE 4.5Å; K503-M536 HydrophobicContact CB-SD 3.9Å; K503-M536 HydrophobicContact CD-CE 3.91Å; K503-M536 HydrophobicContact CD-SD 3.83Å; K503-M536 HydrophobicContact CG-SD 4.08Å; L522-M536 HydrophobicContact CD1-CG 4.12Å; L522-M536 HydrophobicContact CD1-SD 4.03Å; I526-M536 HydrophobicContact CD1-CB 4.2Å; I526-M536 HydrophobicContact CD1-CG 4.06Å; I526-M536 HydrophobicContact CG1-CG 4.35Å; A532-M536 PolarHBondContact O-N 2.82Å; K533-M536 PolarHBondContact O-N 2.61Å; E534-M536 VanDerWaalsContact C-N 3.3Å; E534-M536 PolarHBondContact O-N 3.42Å; M536-P538 VanDerWaalsContact C-CD 3.45Å; M536-H539 CarbonylContact O-C 3.51Å; M536-H539 WeakPolarHBondContact O-CA 3.25Å; M536-H539 PolarHBondContact O-N 3.35Å; M536-V540 PolarHBondContact O-N 3.13Å; M536-V540 VanDerWaalsContact O-N 3.15Å; M536-I543 HydrophobicContact CB-CD1 4.46Å; M536-I543 HydrophobicContact SD-CD1 4.05Å; M536-Y570 VanDerWaalsContact CB-OH 3.28Å; M536-Y570 WeakPolarHBondContact CB-OH 3.27Å |
| 537 | K | 91.9 | Very high | 91.8 | Very high | 81 Ų | 81 | 55.4 Ų | 55.4 | 35% | 0.352 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -42.5 | -48.5 | 174.7 | -164 | 179.5 | 174.6 | 81.7 | 0 | 114.9 | K533 E534 H539 V540 Y570 E573 | K533-K537 PolarHBondContact O-N 2.93Å; E534-K537 WeakPolarHBondContact O-CB 3.45Å; K537-H539 PolarHBondContact O-N 3.46Å; K537-V540 WeakPolarHBondContact O-CG2 3.5Å; K537-Y570 HydrophobicContact CB-CE1 4.32Å; K537-E573 WeakPolarHBondContact CE-OE1 3.37Å; K537-E573 HydrophobicContact CG-CG 4.33Å; K537-E573 WeakPolarHBondContact CG-OE1 3.34Å; K537-E573 IonicContact NZ-OE1 2.66Å; K537-E573 PolarHBondContact NZ-OE1 3.36Å |
| 538 | P | 92.6 | Very high | 91.7 | Very high | 97 Ų | 97 | 54 Ų | 54 | 63% | 0.63 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -71.4 | -11.6 | 177.9 | 28.8 | -36.3 | 0 | 0 | 0 | 114.6 | Y535 M536 | Y535-P538 WeakPolarHBondContact O-CD 3.28Å; M536-P538 VanDerWaalsContact C-CD 3.45Å |
| 539 | H | 93.7 | Very high | 91.7 | Very high | 62 Ų | 62 | 53.6 Ų | 53.6 | 29% | 0.287 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -112.4 | 5.5 | -175.2 | -60.1 | -63.5 | 0 | 0 | 0 | 113.2 | K503 M536 K537 R541 P542 I543 | K503-H539 HydrophobicContact CD-CB 3.98Å; K503-H539 PolarHBondContact NZ-CD2 3.47Å; K503-H539 PolarHBondContact NZ-NE2 3.26Å; K503-H539 VanDerWaalsContact NZ-NE2 3.14Å; M536-H539 CarbonylContact O-C 3.51Å; M536-H539 WeakPolarHBondContact O-CA 3.25Å; M536-H539 PolarHBondContact O-N 3.35Å; K537-H539 PolarHBondContact O-N 3.46Å; H539-R541 PolarHBondContact O-N 2.94Å; H539-P542 HydrophobicContact CB-CG 4.38Å; H539-P542 WeakPolarHBondContact O-CD 3.43Å; H539-P542 WeakPolarHBondContact O-CG 3.14Å; H539-I543 HydrophobicContact CB-CD1 3.95Å; H539-I543 HydrophobicContact CB-CG1 4.47Å; H539-I543 WeakPolarHBondContact O-CB 3.45Å; H539-I543 WeakPolarHBondContact O-CD1 3.44Å; H539-I543 WeakPolarHBondContact O-CG1 3.37Å; H539-I543 PolarHBondContact O-N 3Å; H539-I543 VanDerWaalsContact O-N 3.08Å |
| 540 | V | 92.7 | Very high | 91.9 | Very high | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.012 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -55.1 | -49.2 | -179 | 174.2 | 0 | 0 | 0 | 0 | 111.4 | M536 K537 I543 M544 Y570 E573 V574 | M536-V540 PolarHBondContact O-N 3.13Å; M536-V540 VanDerWaalsContact O-N 3.15Å; K537-V540 WeakPolarHBondContact O-CG2 3.5Å; V540-I543 PolarHBondContact O-N 3.33Å; V540-M544 HydrophobicContact CG1-CG 3.99Å; V540-M544 VanDerWaalsContact O-CG 3.24Å; V540-M544 WeakPolarHBondContact O-CG 3.18Å; V540-M544 PolarHBondContact O-N 2.68Å; V540-Y570 HydrophobicContact CG1-CG 4.28Å; V540-Y570 HydrophobicContact CG2-CD1 3.46Å; V540-Y570 VanDerWaalsContact CG2-CD1 3.46Å; V540-Y570 HydrophobicContact CG2-CD2 3.9Å; V540-Y570 HydrophobicContact CG2-CE1 3.78Å; V540-Y570 HydrophobicContact CG2-CE2 4.2Å; V540-Y570 HydrophobicContact CG2-CG 3.51Å; V540-E573 HydrophobicContact CB-CB 4.15Å; V540-E573 HydrophobicContact CG1-CB 3.99Å; V540-E573 HydrophobicContact CG2-CB 4.32Å; V540-E573 HydrophobicContact CG2-CG 4.33Å; V540-V574 HydrophobicContact CG1-CG2 4.25Å |
| 541 | R | 90.9 | Very high | 91.8 | Very high | 131 Ų | 131 | 45.5 Ų | 45.5 | 49% | 0.494 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -56.6 | -54.9 | -179.2 | -175.1 | 174.1 | -161.1 | -157.9 | 7.5 | 114 | H539 I543 M544 Q545 I577 D580 | H539-R541 PolarHBondContact O-N 2.94Å; R541-I543 VanDerWaalsContact C-N 3.3Å; R541-I543 PolarHBondContact O-N 3.1Å; R541-M544 PolarHBondContact O-N 3.07Å; R541-Q545 WeakPolarHBondContact O-CG 3.43Å; R541-Q545 PolarHBondContact O-N 2.93Å; R541-I577 HydrophobicContact CB-CD1 4.5Å; R541-I577 HydrophobicContact CG-CD1 4.46Å; R541-I577 HydrophobicContact CG-CG2 4.06Å; R541-D580 IonicContact NH2-OD2 2.67Å |
| 542 | P | 93.6 | Very high | 91.6 | Very high | 47 Ų | 47 | 47.2 Ų | 47.2 | 31% | 0.305 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.3 | -32.6 | 178.6 | 23.3 | -32.9 | 0 | 0 | 0 | 112.8 | I507 H539 E546 | I507-P542 HydrophobicContact CD1-CB 4.33Å; H539-P542 HydrophobicContact CB-CG 4.38Å; H539-P542 WeakPolarHBondContact O-CD 3.43Å; H539-P542 WeakPolarHBondContact O-CG 3.14Å; P542-E546 PolarHBondContact O-N 3.29Å; P542-E546 VanDerWaalsContact O-N 3.11Å |
| 543 | I | 95.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.4 | -52.1 | 173.8 | -69.8 | 164.2 | 0 | 0 | 0 | 110.1 | K503 L506 I507 L522 M536 H539 V540 R541 Q545 E546 L547 M566 | K503-I543 HydrophobicContact CG-CD1 4.42Å; L506-I543 HydrophobicContact CD2-CG2 3.84Å; I507-I543 HydrophobicContact CD1-CG1 4.02Å; L522-I543 HydrophobicContact CD2-CD1 3.95Å; L522-I543 HydrophobicContact CD2-CG1 4.33Å; L522-I543 HydrophobicContact CD2-CG2 4.27Å; M536-I543 HydrophobicContact CB-CD1 4.46Å; M536-I543 HydrophobicContact SD-CD1 4.05Å; H539-I543 HydrophobicContact CB-CD1 3.95Å; H539-I543 HydrophobicContact CB-CG1 4.47Å; H539-I543 WeakPolarHBondContact O-CB 3.45Å; H539-I543 WeakPolarHBondContact O-CD1 3.44Å; H539-I543 WeakPolarHBondContact O-CG1 3.37Å; H539-I543 PolarHBondContact O-N 3Å; H539-I543 VanDerWaalsContact O-N 3.08Å; V540-I543 PolarHBondContact O-N 3.33Å; R541-I543 VanDerWaalsContact C-N 3.3Å; R541-I543 PolarHBondContact O-N 3.1Å; I543-Q545 VanDerWaalsContact C-N 3.31Å; I543-Q545 PolarHBondContact O-N 3.03Å; I543-E546 PolarHBondContact O-N 3.12Å; I543-E546 VanDerWaalsContact O-N 3.14Å; I543-L547 HydrophobicContact CG2-CD1 3.9Å; I543-L547 HydrophobicContact CG2-CG 4.28Å; I543-L547 WeakPolarHBondContact O-CG 3.13Å; I543-L547 PolarHBondContact O-N 2.83Å; I543-M566 HydrophobicContact CG2-CE 4.02Å |
| 544 | M | 92.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63 | -36.9 | -178.5 | -64.8 | -60 | -102.1 | 0 | 0 | 112.6 | V540 R541 E546 L547 L548 I563 M566 I567 V574 I577 M581 | V540-M544 HydrophobicContact CG1-CG 3.99Å; V540-M544 VanDerWaalsContact O-CG 3.24Å; V540-M544 WeakPolarHBondContact O-CG 3.18Å; V540-M544 PolarHBondContact O-N 2.68Å; R541-M544 PolarHBondContact O-N 3.07Å; M544-E546 VanDerWaalsContact C-N 3.35Å; M544-L547 PolarHBondContact O-N 3.05Å; M544-L547 HydrophobicContact SD-CD1 3.98Å; M544-L548 VanDerWaalsContact O-CG 3.32Å; M544-L548 WeakPolarHBondContact O-CG 3.45Å; M544-L548 PolarHBondContact O-N 2.7Å; M544-I563 HydrophobicContact CE-CG2 4.07Å; M544-M566 HydrophobicContact CE-CB 4.07Å; M544-M566 HydrophobicContact SD-CB 3.76Å; M544-I567 HydrophobicContact CE-CD1 4.41Å; M544-I567 HydrophobicContact CE-CG1 3.5Å; M544-I567 VanDerWaalsContact CE-CG1 3.5Å; M544-V574 HydrophobicContact CE-CG2 4.06Å; M544-I577 HydrophobicContact CB-CD1 4.13Å; M544-I577 HydrophobicContact CG-CD1 4.33Å; M544-M581 HydrophobicContact CB-CE 4.29Å; M544-M581 HydrophobicContact CB-SD 4.21Å; M544-M581 HydrophobicContact CE-CE 3.39Å; M544-M581 HydrophobicContact CE-SD 4.03Å; M544-M581 HydrophobicContact CG-SD 4.49Å; M544-M581 HydrophobicContact SD-CE 4.42Å |
| 545 | Q | 91.1 | Very high | 90.5 | Very high | 107 Ų | 107 | 46.4 Ų | 46.4 | 50% | 0.5 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.7 | -41.7 | 174.4 | -74.6 | 176.8 | -29.3 | 0 | 0 | 112.3 | R541 I543 H549 | R541-Q545 WeakPolarHBondContact O-CG 3.43Å; R541-Q545 PolarHBondContact O-N 2.93Å; I543-Q545 VanDerWaalsContact C-N 3.31Å; I543-Q545 PolarHBondContact O-N 3.03Å; Q545-H549 PolarHBondContact O-N 3.44Å; Q545-H549 VanDerWaalsContact O-N 3.14Å |
| 546 | E | 94.4 | Very high | 90 | Very high | 32 Ų | 32 | 44.7 Ų | 44.7 | 15% | 0.15 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -70.9 | -40.4 | 178.3 | -165.8 | 61 | -151.9 | 0 | 0 | 111.7 | L506 K515 P542 I543 M544 L548 H549 I550 | L506-E546 HydrophobicContact CD1-CG 4.37Å; L506-E546 HydrophobicContact CG-CG 4.46Å; L506-E546 WeakPolarHBondContact O-CG 3.35Å; K515-E546 IonicContact NZ-OE1 3.91Å; K515-E546 PolarHBondContact NZ-OE1 2.85Å; P542-E546 PolarHBondContact O-N 3.29Å; P542-E546 VanDerWaalsContact O-N 3.11Å; I543-E546 PolarHBondContact O-N 3.12Å; I543-E546 VanDerWaalsContact O-N 3.14Å; M544-E546 VanDerWaalsContact C-N 3.35Å; E546-L548 VanDerWaalsContact C-N 3.33Å; E546-L548 PolarHBondContact O-N 3.33Å; E546-H549 WeakPolarHBondContact O-CA 2.99Å; E546-H549 WeakPolarHBondContact O-CB 3.42Å; E546-H549 PolarHBondContact O-N 3.34Å; E546-H549 VanDerWaalsContact O-N 3.07Å; E546-H549 IonicContact OE1-CD2 3.75Å; E546-I550 HydrophobicContact CG-CD1 4.42Å; E546-I550 WeakPolarHBondContact O-CG1 3.42Å; E546-I550 PolarHBondContact O-N 2.9Å |
| 547 | L | 93.4 | Very high | 89.4 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59 | -44 | 175 | -67 | 173.6 | 0 | 0 | 0 | 111.9 | L506 A519 I543 M544 H549 I550 V551 V559 V562 I563 M566 | L506-L547 HydrophobicContact CD1-CD2 4.13Å; L506-L547 HydrophobicContact CD2-CD2 4.18Å; A519-L547 HydrophobicContact CB-CD2 3.45Å; A519-L547 VanDerWaalsContact CB-CD2 3.45Å; I543-L547 HydrophobicContact CG2-CD1 3.9Å; I543-L547 HydrophobicContact CG2-CG 4.28Å; I543-L547 WeakPolarHBondContact O-CG 3.13Å; I543-L547 PolarHBondContact O-N 2.83Å; M544-L547 PolarHBondContact O-N 3.05Å; M544-L547 HydrophobicContact SD-CD1 3.98Å; L547-H549 VanDerWaalsContact C-N 3.28Å; L547-H549 PolarHBondContact O-N 3.14Å; L547-I550 PolarHBondContact O-N 3.35Å; L547-V551 WeakPolarHBondContact O-CG2 3.41Å; L547-V551 PolarHBondContact O-N 3.29Å; L547-V559 HydrophobicContact CD2-CG1 4.15Å; L547-V562 HydrophobicContact CD1-CG1 3.89Å; L547-V562 HydrophobicContact CD2-CG1 3.81Å; L547-I563 HydrophobicContact CB-CD1 3.93Å; L547-I563 HydrophobicContact CB-CG1 3.63Å; L547-I563 HydrophobicContact CD1-CG1 4.01Å; L547-I563 HydrophobicContact CG-CG1 4.39Å; L547-M566 HydrophobicContact CD1-CG 4.34Å |
| 548 | L | 88.4 | Confident | 89.1 | Confident | 13 Ų | 13 | 45.7 Ų | 45.7 | 7% | 0.068 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.2 | -34.5 | 174.7 | -72 | 171.4 | 0 | 0 | 0 | 112.6 | M544 E546 R552 I563 M581 H584 L585 | M544-L548 VanDerWaalsContact O-CG 3.32Å; M544-L548 WeakPolarHBondContact O-CG 3.45Å; M544-L548 PolarHBondContact O-N 2.7Å; E546-L548 VanDerWaalsContact C-N 3.33Å; E546-L548 PolarHBondContact O-N 3.33Å; L548-R552 WeakPolarHBondContact O-CB 3.48Å; L548-R552 PolarHBondContact O-N 3.43Å; L548-I563 HydrophobicContact CD2-CD1 4.03Å; L548-I563 HydrophobicContact CG-CD1 4.45Å; L548-M581 HydrophobicContact CD1-CB 4.2Å; L548-M581 HydrophobicContact CD1-CE 4.36Å; L548-M581 HydrophobicContact CD1-CG 3.9Å; L548-H584 HydrophobicContact CD1-CB 4.37Å; L548-L585 HydrophobicContact CD2-CD1 4.41Å; L548-L585 HydrophobicContact CD2-CD2 3.48Å; L548-L585 VanDerWaalsContact CD2-CD2 3.48Å; L548-L585 HydrophobicContact CD2-CG 3.73Å |
| 549 | H | 90.3 | Very high | 88.9 | Confident | 75 Ų | 75 | 41 Ų | 41 | 35% | 0.347 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -66.1 | -42.7 | 173.6 | 177.4 | 39.1 | 0 | 0 | 0 | 111.5 | Q545 E546 L547 R552 E553 | Q545-H549 PolarHBondContact O-N 3.44Å; Q545-H549 VanDerWaalsContact O-N 3.14Å; E546-H549 WeakPolarHBondContact O-CA 2.99Å; E546-H549 WeakPolarHBondContact O-CB 3.42Å; E546-H549 PolarHBondContact O-N 3.34Å; E546-H549 VanDerWaalsContact O-N 3.07Å; E546-H549 IonicContact OE1-CD2 3.75Å; L547-H549 VanDerWaalsContact C-N 3.28Å; L547-H549 PolarHBondContact O-N 3.14Å; H549-R552 PolarHBondContact O-N 3.24Å; H549-E553 WeakPolarHBondContact CE1-CG 3.15Å; H549-E553 IonicContact CE1-OE1 3.73Å; H549-E553 WeakPolarHBondContact O-CG 3.42Å; H549-E553 PolarHBondContact O-N 2.89Å |
| 550 | I | 91.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.2 | -53.2 | 177.8 | -64.6 | 164.1 | 0 | 0 | 0 | 110.1 | L506 M512 K515 V516 E546 L547 R552 E553 T554 V559 | L506-I550 HydrophobicContact CD1-CD1 3.54Å; M512-I550 HydrophobicContact SD-CB 4.42Å; M512-I550 HydrophobicContact SD-CG1 3.96Å; M512-I550 HydrophobicContact SD-CG2 4.23Å; K515-I550 HydrophobicContact CB-CD1 3.74Å; K515-I550 HydrophobicContact CB-CG1 4.26Å; K515-I550 HydrophobicContact CD-CD1 4.49Å; K515-I550 HydrophobicContact CD-CG1 4.47Å; V516-I550 HydrophobicContact CG2-CG2 3.66Å; E546-I550 HydrophobicContact CG-CD1 4.42Å; E546-I550 WeakPolarHBondContact O-CG1 3.42Å; E546-I550 PolarHBondContact O-N 2.9Å; L547-I550 PolarHBondContact O-N 3.35Å; I550-R552 PolarHBondContact O-N 3.01Å; I550-R552 VanDerWaalsContact O-N 3.15Å; I550-E553 PolarHBondContact O-N 2.94Å; I550-T554 HydrophobicContact CG2-CG2 3.99Å; I550-T554 PolarHBondContact O-N 3.24Å; I550-T554 PolarHBondContact O-OG1 3.27Å; I550-V559 HydrophobicContact CB-CG1 4.29Å; I550-V559 HydrophobicContact CG2-CB 4.47Å; I550-V559 HydrophobicContact CG2-CG1 4.05Å; I550-V559 HydrophobicContact CG2-CG2 3.93Å |
| 551 | V | 87.4 | Confident | 88.4 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -51.9 | -42.6 | 178.4 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | L547 E553 E555 V559 T560 I563 | L547-V551 WeakPolarHBondContact O-CG2 3.41Å; L547-V551 PolarHBondContact O-N 3.29Å; V551-E553 PolarHBondContact O-N 3.13Å; V551-E555 WeakPolarHBondContact O-CA 3.43Å; V551-E555 PolarHBondContact O-N 3.18Å; V551-E555 VanDerWaalsContact O-N 3.09Å; V551-V559 HydrophobicContact CG2-CB 3.92Å; V551-V559 HydrophobicContact CG2-CG1 3.62Å; V551-T560 HydrophobicContact CG1-CG2 3.92Å; V551-T560 HydrophobicContact CG2-CG2 4.02Å; V551-I563 HydrophobicContact CG2-CD1 3.68Å |
| 552 | R | 84.8 | Confident | 88.5 | Confident | 124 Ų | 124 | 34.6 Ų | 34.6 | 47% | 0.468 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -65.8 | -34 | -179.8 | 177.2 | 176.4 | 164.6 | -179.5 | -4.9 | 114 | L548 H549 I550 I588 | L548-R552 WeakPolarHBondContact O-CB 3.48Å; L548-R552 PolarHBondContact O-N 3.43Å; H549-R552 PolarHBondContact O-N 3.24Å; I550-R552 PolarHBondContact O-N 3.01Å; I550-R552 VanDerWaalsContact O-N 3.15Å; R552-I588 HydrophobicContact CB-CD1 3.86Å; R552-I588 HydrophobicContact CB-CG1 4.07Å; R552-I588 HydrophobicContact CG-CG1 4.25Å |
| 553 | E | 86.4 | Confident | 88.4 | Confident | 80 Ų | 80 | 32.3 Ų | 32.3 | 37% | 0.374 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -95.1 | -33.3 | -175.1 | -61.4 | -69.4 | 133.8 | 0 | 0 | 112.5 | Y374 M512 H549 I550 V551 | Y374-E553 WeakPolarHBondContact CD1-O 3.36Å; Y374-E553 HydrophobicContact CE1-CB 3.82Å; Y374-E553 WeakPolarHBondContact CE1-O 3.42Å; M512-E553 HydrophobicContact CE-CB 3.93Å; M512-E553 HydrophobicContact CE-CG 4.26Å; H549-E553 WeakPolarHBondContact CE1-CG 3.15Å; H549-E553 IonicContact CE1-OE1 3.73Å; H549-E553 WeakPolarHBondContact O-CG 3.42Å; H549-E553 PolarHBondContact O-N 2.89Å; I550-E553 PolarHBondContact O-N 2.94Å; V551-E553 PolarHBondContact O-N 3.13Å |
| 554 | T | 84.1 | Confident | 88 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -97 | -21 | -175.3 | 66.3 | 0 | 0 | 0 | 0 | 113.9 | Y374 I377 M512 V516 I550 N556 | Y374-T554 HydrophobicContact CD1-CG2 4.01Å; Y374-T554 HydrophobicContact CE1-CG2 4.11Å; I377-T554 HydrophobicContact CD1-CG2 3.8Å; M512-T554 HydrophobicContact CG-CG2 3.32Å; M512-T554 HydrophobicContact SD-CG2 3.83Å; V516-T554 HydrophobicContact CG2-CG2 4.24Å; I550-T554 HydrophobicContact CG2-CG2 3.99Å; I550-T554 PolarHBondContact O-N 3.24Å; I550-T554 PolarHBondContact O-OG1 3.27Å; T554-N556 PolarHBondContact O-N 3.18Å; T554-N556 WeakPolarHBondContact OG1-CB 3.47Å; T554-N556 PolarHBondContact OG1-N 3.3Å |
| 555 | E | 78.9 | Confident | 87.9 | Confident | 71 Ų | 71 | 38.3 Ų | 38.3 | 33% | 0.332 | 18% | 0.178 | S | C | . | . | trans | 54.7 | 34.6 | -174.2 | -57.6 | 177.6 | 159.7 | 0 | 0 | 112.8 | R378 V551 M607 | R378-E555 IonicContact CZ-OE2 2.58Å; R378-E555 IonicContact NH2-OE2 3.56Å; R378-E555 PolarHBondContact NH2-OE2 3.11Å; V551-E555 WeakPolarHBondContact O-CA 3.43Å; V551-E555 PolarHBondContact O-N 3.18Å; V551-E555 VanDerWaalsContact O-N 3.09Å; E555-M607 WeakPolarHBondContact CA-SD 3.45Å; E555-M607 HydrophobicContact CB-CE 3.9Å; E555-M607 HydrophobicContact CB-SD 3.45Å; E555-M607 WeakPolarHBondContact CB-SD 3.36Å; E555-M607 HydrophobicContact CG-CE 3.9Å; E555-M607 HydrophobicContact CG-SD 3.75Å | ||
| 556 | N | 81.5 | Confident | 88 | Confident | 12 Ų | 12 | 33.4 Ų | 33.4 | 6% | 0.064 | 16% | 0.155 | C | C | . | . | trans | -98.4 | 126.9 | -175.2 | 173.5 | -81.1 | 0 | 0 | 0 | 111 | I377 F381 T554 D558 V559 | I377-N556 HydrophobicContact CG2-CB 4.43Å; F381-N556 WeakPolarHBondContact CB-ND2 3.35Å; F381-N556 WeakPolarHBondContact CG-ND2 2.95Å; T554-N556 PolarHBondContact O-N 3.18Å; T554-N556 WeakPolarHBondContact OG1-CB 3.47Å; T554-N556 PolarHBondContact OG1-N 3.3Å; N556-D558 PolarHBondContact ND2-OD2 3.47Å; N556-D558 WeakPolarHBondContact OD1-CA 3.09Å; N556-D558 VanDerWaalsContact OD1-CB 3.31Å; N556-D558 WeakPolarHBondContact OD1-CB 3.3Å; N556-D558 PolarHBondContact OD1-N 2.87Å; N556-V559 HydrophobicContact CB-CG2 4.47Å; N556-V559 WeakPolarHBondContact OD1-CG2 3.41Å; N556-V559 PolarHBondContact OD1-N 3.44Å; N556-V559 VanDerWaalsContact OD1-N 3.14Å | ||
| 557 | D | 81.6 | Confident | 87.8 | Confident | 44 Ų | 44 | 31.9 Ų | 31.9 | 24% | 0.235 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -76 | -26 | -176.5 | -174.2 | 65.4 | 0 | 0 | 0 | 114.2 | V559 T560 N561 V606 | D557-V559 PolarHBondContact O-N 3.22Å; D557-T560 VanDerWaalsContact C-OG1 3.28Å; D557-T560 VanDerWaalsContact CA-OG1 3.25Å; D557-T560 WeakPolarHBondContact CA-OG1 3.34Å; D557-T560 PolarHBondContact O-N 3.15Å; D557-T560 VanDerWaalsContact O-N 3.1Å; D557-T560 PolarHBondContact O-OG1 3.37Å; D557-T560 PolarHBondContact OD1-OG1 3.03Å; D557-N561 PolarHBondContact O-N 3.24Å; D557-N561 PolarHBondContact O-ND2 2.88Å; D557-N561 PolarHBondContact OD2-ND2 3.19Å; D557-V606 HydrophobicContact CB-CG1 4.41Å |
| 558 | D | 85.7 | Confident | 87.6 | Confident | 58 Ų | 58 | 35.5 Ų | 35.5 | 31% | 0.31 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -61.3 | -32.4 | 174.9 | -56.2 | -77.5 | 0 | 0 | 0 | 111.6 | F381 L520 N556 N561 V562 | F381-D558 WeakPolarHBondContact CD1-OD2 3.47Å; L520-D558 HydrophobicContact CD2-CB 4.04Å; N556-D558 PolarHBondContact ND2-OD2 3.47Å; N556-D558 WeakPolarHBondContact OD1-CA 3.09Å; N556-D558 VanDerWaalsContact OD1-CB 3.31Å; N556-D558 WeakPolarHBondContact OD1-CB 3.3Å; N556-D558 PolarHBondContact OD1-N 2.87Å; D558-N561 WeakPolarHBondContact O-CB 3.49Å; D558-N561 PolarHBondContact O-N 3.02Å; D558-V562 WeakPolarHBondContact O-CG2 3.36Å; D558-V562 PolarHBondContact O-N 2.96Å |
| 559 | V | 89.6 | Confident | 87.7 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -73.2 | -31.9 | 177.4 | -174.3 | 0 | 0 | 0 | 0 | 112 | V516 L547 I550 V551 N556 D557 N561 V562 I563 | V516-V559 HydrophobicContact CG1-CG2 4.05Å; V516-V559 HydrophobicContact CG2-CG2 4.36Å; L547-V559 HydrophobicContact CD2-CG1 4.15Å; I550-V559 HydrophobicContact CB-CG1 4.29Å; I550-V559 HydrophobicContact CG2-CB 4.47Å; I550-V559 HydrophobicContact CG2-CG1 4.05Å; I550-V559 HydrophobicContact CG2-CG2 3.93Å; V551-V559 HydrophobicContact CG2-CB 3.92Å; V551-V559 HydrophobicContact CG2-CG1 3.62Å; N556-V559 HydrophobicContact CB-CG2 4.47Å; N556-V559 WeakPolarHBondContact OD1-CG2 3.41Å; N556-V559 PolarHBondContact OD1-N 3.44Å; N556-V559 VanDerWaalsContact OD1-N 3.14Å; D557-V559 PolarHBondContact O-N 3.22Å; V559-N561 VanDerWaalsContact C-N 3.31Å; V559-V562 WeakPolarHBondContact O-CB 3.45Å; V559-V562 PolarHBondContact O-N 3.43Å; V559-I563 WeakPolarHBondContact O-CG1 3.44Å; V559-I563 PolarHBondContact O-N 3.29Å |
| 560 | T | 86.8 | Confident | 87.8 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63 | -41 | 171 | 29.3 | 0 | 0 | 0 | 0 | 110.6 | V551 D557 V562 I563 Q564 I611 | V551-T560 HydrophobicContact CG1-CG2 3.92Å; V551-T560 HydrophobicContact CG2-CG2 4.02Å; D557-T560 VanDerWaalsContact C-OG1 3.28Å; D557-T560 VanDerWaalsContact CA-OG1 3.25Å; D557-T560 WeakPolarHBondContact CA-OG1 3.34Å; D557-T560 PolarHBondContact O-N 3.15Å; D557-T560 VanDerWaalsContact O-N 3.1Å; D557-T560 PolarHBondContact O-OG1 3.37Å; D557-T560 PolarHBondContact OD1-OG1 3.03Å; T560-V562 VanDerWaalsContact C-N 3.33Å; T560-V562 PolarHBondContact O-N 3.26Å; T560-I563 WeakPolarHBondContact O-CB 3.21Å; T560-I563 PolarHBondContact O-N 2.97Å; T560-I563 VanDerWaalsContact O-N 3.11Å; T560-Q564 WeakPolarHBondContact O-CG 3.36Å; T560-Q564 PolarHBondContact O-N 3.03Å; T560-I611 HydrophobicContact CG2-CG1 4.23Å |
| 561 | N | 88.4 | Confident | 87.6 | Confident | 57 Ų | 57 | 37.3 Ų | 37.3 | 31% | 0.305 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63 | -36.7 | 173.5 | -66 | -36.5 | 0 | 0 | 0 | 112.7 | D557 D558 V559 Q564 K565 | D557-N561 PolarHBondContact O-N 3.24Å; D557-N561 PolarHBondContact O-ND2 2.88Å; D557-N561 PolarHBondContact OD2-ND2 3.19Å; D558-N561 WeakPolarHBondContact O-CB 3.49Å; D558-N561 PolarHBondContact O-N 3.02Å; V559-N561 VanDerWaalsContact C-N 3.31Å; N561-Q564 PolarHBondContact O-N 2.78Å; N561-Q564 PolarHBondContact OD1-OE1 3.07Å; N561-K565 PolarHBondContact O-N 3.3Å; N561-K565 VanDerWaalsContact O-N 3.13Å |
| 562 | V | 92.3 | Very high | 87.6 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.012 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.4 | -46.9 | 171.2 | 167.5 | 0 | 0 | 0 | 0 | 111 | A519 L520 Q523 L547 D558 V559 T560 Q564 K565 M566 | A519-V562 HydrophobicContact CB-CG1 4.24Å; L520-V562 HydrophobicContact CD2-CG2 3.6Å; L520-V562 HydrophobicContact CG-CG2 4.32Å; Q523-V562 HydrophobicContact CB-CB 4.47Å; Q523-V562 HydrophobicContact CB-CG1 3.95Å; Q523-V562 HydrophobicContact CB-CG2 4.19Å; Q523-V562 HydrophobicContact CG-CG1 4.5Å; Q523-V562 HydrophobicContact CG-CG2 4.47Å; L547-V562 HydrophobicContact CD1-CG1 3.89Å; L547-V562 HydrophobicContact CD2-CG1 3.81Å; D558-V562 WeakPolarHBondContact O-CG2 3.36Å; D558-V562 PolarHBondContact O-N 2.96Å; V559-V562 WeakPolarHBondContact O-CB 3.45Å; V559-V562 PolarHBondContact O-N 3.43Å; T560-V562 VanDerWaalsContact C-N 3.33Å; T560-V562 PolarHBondContact O-N 3.26Å; V562-Q564 PolarHBondContact O-N 3.13Å; V562-K565 PolarHBondContact O-N 3.22Å; V562-M566 HydrophobicContact CG1-CG 4.31Å; V562-M566 WeakPolarHBondContact O-CB 3.36Å; V562-M566 WeakPolarHBondContact O-CG 3.23Å; V562-M566 PolarHBondContact O-N 3.14Å |
| 563 | I | 91.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.8 | -45.9 | -179.8 | -66.2 | 170.7 | 0 | 0 | 0 | 110.4 | M544 L547 L548 V551 V559 T560 K565 M566 I567 M581 T614 | M544-I563 HydrophobicContact CE-CG2 4.07Å; L547-I563 HydrophobicContact CB-CD1 3.93Å; L547-I563 HydrophobicContact CB-CG1 3.63Å; L547-I563 HydrophobicContact CD1-CG1 4.01Å; L547-I563 HydrophobicContact CG-CG1 4.39Å; L548-I563 HydrophobicContact CD2-CD1 4.03Å; L548-I563 HydrophobicContact CG-CD1 4.45Å; V551-I563 HydrophobicContact CG2-CD1 3.68Å; V559-I563 WeakPolarHBondContact O-CG1 3.44Å; V559-I563 PolarHBondContact O-N 3.29Å; T560-I563 WeakPolarHBondContact O-CB 3.21Å; T560-I563 PolarHBondContact O-N 2.97Å; T560-I563 VanDerWaalsContact O-N 3.11Å; I563-K565 PolarHBondContact O-N 3.12Å; I563-M566 CarbonylContact O-C 3.58Å; I563-M566 WeakPolarHBondContact O-CB 3.15Å; I563-M566 PolarHBondContact O-N 3.04Å; I563-I567 HydrophobicContact CG2-CD1 3.74Å; I563-I567 HydrophobicContact CG2-CG1 4.3Å; I563-I567 VanDerWaalsContact O-CG1 3.26Å; I563-I567 WeakPolarHBondContact O-CG1 3.34Å; I563-I567 PolarHBondContact O-N 3.32Å; I563-M581 HydrophobicContact CG2-CE 3.97Å; I563-T614 HydrophobicContact CB-CG2 4.26Å; I563-T614 HydrophobicContact CG2-CG2 3.6Å |
| 564 | Q | 88.4 | Confident | 87.9 | Confident | 22 Ų | 22 | 36.3 Ų | 36.3 | 10% | 0.103 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.9 | -50.1 | 178.5 | -70.3 | 167.5 | 12.1 | 0 | 0 | 112.3 | T560 N561 V562 M566 I567 C568 G610 H613 T614 T617 | T560-Q564 WeakPolarHBondContact O-CG 3.36Å; T560-Q564 PolarHBondContact O-N 3.03Å; N561-Q564 PolarHBondContact O-N 2.78Å; N561-Q564 PolarHBondContact OD1-OE1 3.07Å; V562-Q564 PolarHBondContact O-N 3.13Å; Q564-M566 VanDerWaalsContact C-N 3.28Å; Q564-M566 PolarHBondContact O-N 3.14Å; Q564-I567 WeakPolarHBondContact O-CB 3.47Å; Q564-I567 PolarHBondContact O-N 3.05Å; Q564-C568 PolarHBondContact O-N 3.37Å; Q564-C568 VanDerWaalsContact O-N 3.08Å; Q564-C568 PolarHBondContact O-SG 3.17Å; Q564-G610 PolarHBondContact NE2-O 3.11Å; Q564-H613 PolarHBondContact NE2-CD2 2.87Å; Q564-H613 VanDerWaalsContact NE2-CD2 3.34Å; Q564-H613 PolarHBondContact OE1-CD2 2.64Å; Q564-T614 HydrophobicContact CG-CG2 4.15Å; Q564-T614 PolarHBondContact NE2-OG1 3.48Å; Q564-T614 VanDerWaalsContact NE2-OG1 3.11Å; Q564-T617 HydrophobicContact CB-CG2 4.5Å |
| 565 | K | 90.5 | Very high | 88.1 | Confident | 106 Ų | 106 | 36.6 Ų | 36.6 | 46% | 0.461 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.2 | -38.8 | 177.5 | -70.3 | -179.5 | -176.1 | 171.3 | 0 | 111.6 | Q523 N561 V562 I563 I567 C568 E569 | Q523-K565 HydrophobicContact CG-CB 3.77Å; Q523-K565 HydrophobicContact CG-CD 3.89Å; Q523-K565 HydrophobicContact CG-CG 4.46Å; Q523-K565 VanDerWaalsContact NE2-CD 3.28Å; N561-K565 PolarHBondContact O-N 3.3Å; N561-K565 VanDerWaalsContact O-N 3.13Å; V562-K565 PolarHBondContact O-N 3.22Å; I563-K565 PolarHBondContact O-N 3.12Å; K565-I567 VanDerWaalsContact C-N 3.34Å; K565-C568 PolarHBondContact O-N 3.15Å; K565-E569 VanDerWaalsContact O-CG 3.25Å; K565-E569 WeakPolarHBondContact O-CG 3.3Å; K565-E569 PolarHBondContact O-N 3.15Å; K565-E569 VanDerWaalsContact O-N 3.14Å |
| 566 | M | 91.7 | Very high | 88.5 | Confident | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.015 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.2 | -34.7 | 175 | -68.4 | -66.3 | -66.4 | 0 | 0 | 112.6 | I526 I543 M544 L547 V562 I563 Q564 E569 Y570 | I526-M566 HydrophobicContact CD1-CE 3.61Å; I526-M566 HydrophobicContact CD1-SD 3.5Å; I526-M566 WeakPolarHBondContact CD1-SD 3.44Å; I526-M566 HydrophobicContact CG2-SD 4.34Å; I543-M566 HydrophobicContact CG2-CE 4.02Å; M544-M566 HydrophobicContact CE-CB 4.07Å; M544-M566 HydrophobicContact SD-CB 3.76Å; L547-M566 HydrophobicContact CD1-CG 4.34Å; V562-M566 HydrophobicContact CG1-CG 4.31Å; V562-M566 WeakPolarHBondContact O-CB 3.36Å; V562-M566 WeakPolarHBondContact O-CG 3.23Å; V562-M566 PolarHBondContact O-N 3.14Å; I563-M566 CarbonylContact O-C 3.58Å; I563-M566 WeakPolarHBondContact O-CB 3.15Å; I563-M566 PolarHBondContact O-N 3.04Å; Q564-M566 VanDerWaalsContact C-N 3.28Å; Q564-M566 PolarHBondContact O-N 3.14Å; M566-E569 PolarHBondContact O-N 3.5Å; M566-Y570 HydrophobicContact CE-CD2 3.85Å; M566-Y570 HydrophobicContact CE-CE2 3.53Å; M566-Y570 WeakPolarHBondContact O-CD2 3.27Å; M566-Y570 PolarHBondContact O-N 3.42Å; M566-Y570 VanDerWaalsContact O-N 3.15Å; M566-Y570 HydrophobicContact SD-CE2 4.15Å |
| 567 | I | 90.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.2 | -48.8 | 174.9 | -69.9 | 158.8 | 0 | 0 | 0 | 110.7 | M544 I563 Q564 K565 E569 Y570 S571 V574 M581 T614 T617 I618 V621 | M544-I567 HydrophobicContact CE-CD1 4.41Å; M544-I567 HydrophobicContact CE-CG1 3.5Å; M544-I567 VanDerWaalsContact CE-CG1 3.5Å; I563-I567 HydrophobicContact CG2-CD1 3.74Å; I563-I567 HydrophobicContact CG2-CG1 4.3Å; I563-I567 VanDerWaalsContact O-CG1 3.26Å; I563-I567 WeakPolarHBondContact O-CG1 3.34Å; I563-I567 PolarHBondContact O-N 3.32Å; Q564-I567 WeakPolarHBondContact O-CB 3.47Å; Q564-I567 PolarHBondContact O-N 3.05Å; K565-I567 VanDerWaalsContact C-N 3.34Å; I567-E569 VanDerWaalsContact C-N 3.32Å; I567-E569 PolarHBondContact O-N 3.34Å; I567-Y570 CarbonylContact O-C 3.43Å; I567-Y570 PolarHBondContact O-N 3.47Å; I567-S571 PolarHBondContact O-N 3.28Å; I567-V574 HydrophobicContact CB-CG1 4.49Å; I567-V574 HydrophobicContact CG1-CG1 4.12Å; I567-V574 HydrophobicContact CG2-CG1 4.09Å; I567-M581 HydrophobicContact CD1-CE 4.41Å; I567-M581 HydrophobicContact CG1-CE 4.42Å; I567-T614 HydrophobicContact CD1-CG2 3.84Å; I567-T617 HydrophobicContact CB-CG2 4.22Å; I567-T617 HydrophobicContact CG2-CG2 3.91Å; I567-I618 HydrophobicContact CD1-CD1 4.09Å; I567-I618 HydrophobicContact CD1-CG1 3.47Å; I567-I618 VanDerWaalsContact CD1-CG1 3.47Å; I567-I618 HydrophobicContact CG1-CG1 4.25Å; I567-I618 HydrophobicContact CG2-CG1 4.47Å; I567-V621 HydrophobicContact CG2-CB 3.94Å; I567-V621 HydrophobicContact CG2-CG1 4.17Å; I567-V621 HydrophobicContact CG2-CG2 3.65Å |
| 568 | C | 89.8 | Confident | 89.3 | Confident | 78 Ų | 78 | 35.8 Ų | 35.8 | 53% | 0.527 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.1 | -38.4 | 179.9 | -65.4 | 0 | 0 | 0 | 0 | 112.5 | Q564 K565 | Q564-C568 PolarHBondContact O-N 3.37Å; Q564-C568 VanDerWaalsContact O-N 3.08Å; Q564-C568 PolarHBondContact O-SG 3.17Å; K565-C568 PolarHBondContact O-N 3.15Å |
| 569 | E | 90.6 | Very high | 89.6 | Confident | 65 Ų | 65 | 34.9 Ų | 34.9 | 30% | 0.304 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -77.5 | -23.8 | -177.9 | -66.6 | -70.3 | -161.4 | 0 | 0 | 114.1 | I526 K533 K565 M566 I567 | I526-E569 HydrophobicContact CG2-CB 4.26Å; I526-E569 HydrophobicContact CG2-CG 4.31Å; K533-E569 WeakPolarHBondContact CE-OE1 3.36Å; K533-E569 VanDerWaalsContact CE-OE2 3.25Å; K533-E569 WeakPolarHBondContact CE-OE2 3.34Å; K533-E569 IonicContact NZ-OE1 3.95Å; K533-E569 PolarHBondContact NZ-OE1 3.32Å; K533-E569 IonicContact NZ-OE2 3.29Å; K533-E569 PolarHBondContact NZ-OE2 3Å; K565-E569 VanDerWaalsContact O-CG 3.25Å; K565-E569 WeakPolarHBondContact O-CG 3.3Å; K565-E569 PolarHBondContact O-N 3.15Å; K565-E569 VanDerWaalsContact O-N 3.14Å; M566-E569 PolarHBondContact O-N 3.5Å; I567-E569 VanDerWaalsContact C-N 3.32Å; I567-E569 PolarHBondContact O-N 3.34Å |
| 570 | Y | 91.5 | Very high | 89.7 | Confident | 6 Ų | 6 | 39.1 Ų | 39.1 | 2% | 0.024 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.4 | 42.5 | -175.9 | -64.6 | -72.5 | 0 | 0 | 0 | 113.3 | I526 K533 M536 K537 V540 M566 I567 Q572 E573 V574 | I526-Y570 HydrophobicContact CD1-CE2 4.15Å; I526-Y570 HydrophobicContact CG2-CE2 3.87Å; K533-Y570 WeakPolarHBondContact CA-OH 3.48Å; K533-Y570 WeakPolarHBondContact O-CE1 3.45Å; K533-Y570 PolarHBondContact O-OH 3.47Å; M536-Y570 VanDerWaalsContact CB-OH 3.28Å; M536-Y570 WeakPolarHBondContact CB-OH 3.27Å; K537-Y570 HydrophobicContact CB-CE1 4.32Å; V540-Y570 HydrophobicContact CG1-CG 4.28Å; V540-Y570 HydrophobicContact CG2-CD1 3.46Å; V540-Y570 VanDerWaalsContact CG2-CD1 3.46Å; V540-Y570 HydrophobicContact CG2-CD2 3.9Å; V540-Y570 HydrophobicContact CG2-CE1 3.78Å; V540-Y570 HydrophobicContact CG2-CE2 4.2Å; V540-Y570 HydrophobicContact CG2-CG 3.51Å; M566-Y570 HydrophobicContact CE-CD2 3.85Å; M566-Y570 HydrophobicContact CE-CE2 3.53Å; M566-Y570 WeakPolarHBondContact O-CD2 3.27Å; M566-Y570 PolarHBondContact O-N 3.42Å; M566-Y570 VanDerWaalsContact O-N 3.15Å; M566-Y570 HydrophobicContact SD-CE2 4.15Å; I567-Y570 CarbonylContact O-C 3.43Å; I567-Y570 PolarHBondContact O-N 3.47Å; Y570-Q572 VanDerWaalsContact C-N 3.29Å; Y570-Q572 PolarHBondContact O-N 2.91Å; Y570-Q572 VanDerWaalsContact O-N 3.16Å; Y570-E573 PolarHBondContact O-N 3.21Å; Y570-E573 VanDerWaalsContact O-N 3.15Å; Y570-V574 WeakPolarHBondContact O-CB 3.17Å; Y570-V574 WeakPolarHBondContact O-CG2 3.25Å; Y570-V574 PolarHBondContact O-N 3.48Å |
| 571 | S | 88.3 | Confident | 89.8 | Confident | 54 Ų | 54 | 39.3 Ų | 39.3 | 38% | 0.378 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -48.3 | -45.8 | -175.2 | 54.7 | 0 | 0 | 0 | 0 | 114.4 | I567 V574 A575 V621 | I567-S571 PolarHBondContact O-N 3.28Å; S571-V574 PolarHBondContact O-N 2.96Å; S571-A575 WeakPolarHBondContact O-CB 3.48Å; S571-A575 PolarHBondContact O-N 2.91Å; S571-V621 VanDerWaalsContact CB-CG1 3.48Å |
| 572 | Q | 87.3 | Confident | 90 | Very high | 143 Ų | 143 | 36.6 Ų | 36.6 | 67% | 0.668 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -66.3 | -45.7 | -178.5 | -65.3 | -177.7 | -5.1 | 0 | 0 | 112.8 | Y570 | Y570-Q572 VanDerWaalsContact C-N 3.29Å; Y570-Q572 PolarHBondContact O-N 2.91Å; Y570-Q572 VanDerWaalsContact O-N 3.16Å |
| 573 | E | 89.3 | Confident | 90.1 | Very high | 40 Ų | 40 | 38.9 Ų | 38.9 | 19% | 0.187 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.7 | -39.9 | 178.8 | -68.9 | 72.7 | -163.7 | 0 | 0 | 111.1 | K537 V540 Y570 S576 | K537-E573 WeakPolarHBondContact CE-OE1 3.37Å; K537-E573 HydrophobicContact CG-CG 4.33Å; K537-E573 WeakPolarHBondContact CG-OE1 3.34Å; K537-E573 IonicContact NZ-OE1 2.66Å; K537-E573 PolarHBondContact NZ-OE1 3.36Å; V540-E573 HydrophobicContact CB-CB 4.15Å; V540-E573 HydrophobicContact CG1-CB 3.99Å; V540-E573 HydrophobicContact CG2-CB 4.32Å; V540-E573 HydrophobicContact CG2-CG 4.33Å; Y570-E573 PolarHBondContact O-N 3.21Å; Y570-E573 VanDerWaalsContact O-N 3.15Å; E573-S576 PolarHBondContact O-N 3.13Å; E573-S576 PolarHBondContact O-OG 3.12Å |
| 574 | V | 87.8 | Confident | 90 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.7 | -38 | -178.8 | 171 | 0 | 0 | 0 | 0 | 111.2 | V540 M544 I567 Y570 S571 S576 I577 A578 M581 | V540-V574 HydrophobicContact CG1-CG2 4.25Å; M544-V574 HydrophobicContact CE-CG2 4.06Å; I567-V574 HydrophobicContact CB-CG1 4.49Å; I567-V574 HydrophobicContact CG1-CG1 4.12Å; I567-V574 HydrophobicContact CG2-CG1 4.09Å; Y570-V574 WeakPolarHBondContact O-CB 3.17Å; Y570-V574 WeakPolarHBondContact O-CG2 3.25Å; Y570-V574 PolarHBondContact O-N 3.48Å; S571-V574 PolarHBondContact O-N 2.96Å; V574-S576 PolarHBondContact O-N 3.44Å; V574-S576 VanDerWaalsContact O-N 3.07Å; V574-I577 CarbonylContact O-C 3.05Å; V574-I577 WeakPolarHBondContact O-CG1 3.45Å; V574-I577 PolarHBondContact O-N 2.9Å; V574-A578 PolarHBondContact O-N 3.04Å; V574-M581 HydrophobicContact CG1-SD 4.32Å |
| 575 | A | 87.9 | Confident | 90.1 | Very high | 7 Ų | 7 | 42.2 Ų | 42.2 | 6% | 0.058 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -52 | -35.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S571 I577 V622 I628 | S571-A575 WeakPolarHBondContact O-CB 3.48Å; S571-A575 PolarHBondContact O-N 2.91Å; A575-I577 VanDerWaalsContact C-N 3.26Å; A575-I577 PolarHBondContact O-N 3.21Å; A575-V622 HydrophobicContact CB-CG1 4.14Å; A575-I628 HydrophobicContact CB-CD1 4.32Å; A575-I628 VanDerWaalsContact O-CD1 3.31Å; A575-I628 WeakPolarHBondContact O-CD1 3.49Å |
| 576 | S | 87.9 | Confident | 90.2 | Very high | 98 Ų | 98 | 37.8 Ų | 37.8 | 69% | 0.685 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -18 | 179.2 | 76.7 | 0 | 0 | 0 | 0 | 115.1 | E573 V574 | E573-S576 PolarHBondContact O-N 3.13Å; E573-S576 PolarHBondContact O-OG 3.12Å; V574-S576 PolarHBondContact O-N 3.44Å; V574-S576 VanDerWaalsContact O-N 3.07Å |
| 577 | I | 89.8 | Confident | 90.1 | Very high | 13 Ų | 13 | 41.7 Ų | 41.7 | 7% | 0.067 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.4 | 1.8 | -177.3 | 59.6 | 171.2 | 0 | 0 | 0 | 113.2 | R541 M544 V574 A575 V579 D580 M581 | R541-I577 HydrophobicContact CB-CD1 4.5Å; R541-I577 HydrophobicContact CG-CD1 4.46Å; R541-I577 HydrophobicContact CG-CG2 4.06Å; M544-I577 HydrophobicContact CB-CD1 4.13Å; M544-I577 HydrophobicContact CG-CD1 4.33Å; V574-I577 CarbonylContact O-C 3.05Å; V574-I577 WeakPolarHBondContact O-CG1 3.45Å; V574-I577 PolarHBondContact O-N 2.9Å; A575-I577 VanDerWaalsContact C-N 3.26Å; A575-I577 PolarHBondContact O-N 3.21Å; I577-V579 VanDerWaalsContact C-N 3.29Å; I577-V579 PolarHBondContact O-N 3.3Å; I577-D580 PolarHBondContact O-N 2.89Å; I577-M581 HydrophobicContact CD1-CG 4.29Å; I577-M581 HydrophobicContact CD1-SD 3.71Å; I577-M581 HydrophobicContact CG1-CG 4.28Å; I577-M581 HydrophobicContact CG1-SD 3.87Å; I577-M581 WeakPolarHBondContact O-CG 3.4Å; I577-M581 PolarHBondContact O-N 2.9Å |
| 578 | A | 90.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55.5 | -40 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V574 M581 T582 I618 V622 I628 L632 | V574-A578 PolarHBondContact O-N 3.04Å; A578-M581 PolarHBondContact O-N 3.42Å; A578-T582 WeakPolarHBondContact O-CB 3.41Å; A578-T582 PolarHBondContact O-N 3.17Å; A578-T582 PolarHBondContact O-OG1 3.35Å; A578-I618 HydrophobicContact CB-CG2 3.72Å; A578-V622 HydrophobicContact CB-CG1 3.92Å; A578-I628 HydrophobicContact CB-CG2 4.15Å; A578-L632 HydrophobicContact CB-CD1 4.46Å |
| 579 | V | 92.1 | Very high | 89.9 | Confident | 39 Ų | 39 | 38.6 Ų | 38.6 | 24% | 0.236 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.1 | -48.7 | 178.9 | -178 | 0 | 0 | 0 | 0 | 111.3 | I577 M581 T582 Q583 I628 Q631 L632 I635 | I577-V579 VanDerWaalsContact C-N 3.29Å; I577-V579 PolarHBondContact O-N 3.3Å; V579-M581 VanDerWaalsContact C-N 3.31Å; V579-M581 PolarHBondContact O-N 3.14Å; V579-T582 PolarHBondContact O-N 3.28Å; V579-Q583 WeakPolarHBondContact O-CB 3.4Å; V579-Q583 PolarHBondContact O-N 3.26Å; V579-I628 HydrophobicContact CG2-CG2 4.21Å; V579-Q631 HydrophobicContact CG1-CB 4.44Å; V579-Q631 HydrophobicContact CG2-CB 3.95Å; V579-L632 HydrophobicContact CB-CD2 4.35Å; V579-L632 HydrophobicContact CG2-CD2 4.03Å; V579-I635 HydrophobicContact CG1-CD1 4.22Å |
| 580 | D | 90.3 | Very high | 89.8 | Confident | 88 Ų | 88 | 36 Ų | 36 | 47% | 0.471 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.1 | -40.1 | 177.8 | -71 | -14.9 | 0 | 0 | 0 | 111 | R541 I577 H584 | R541-D580 IonicContact NH2-OD2 2.67Å; I577-D580 PolarHBondContact O-N 2.89Å; D580-H584 PolarHBondContact O-N 2.92Å; D580-H584 PolarHBondContact O-ND1 3.35Å |
| 581 | M | 89.4 | Confident | 89.4 | Confident | 5 Ų | 5 | 40.5 Ų | 40.5 | 3% | 0.025 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66 | -50.2 | 178.5 | -73 | -173.8 | 64.8 | 0 | 0 | 112.1 | M544 L548 I563 I567 V574 I577 A578 V579 Q583 H584 L585 I618 | M544-M581 HydrophobicContact CB-CE 4.29Å; M544-M581 HydrophobicContact CB-SD 4.21Å; M544-M581 HydrophobicContact CE-CE 3.39Å; M544-M581 HydrophobicContact CE-SD 4.03Å; M544-M581 HydrophobicContact CG-SD 4.49Å; M544-M581 HydrophobicContact SD-CE 4.42Å; L548-M581 HydrophobicContact CD1-CB 4.2Å; L548-M581 HydrophobicContact CD1-CE 4.36Å; L548-M581 HydrophobicContact CD1-CG 3.9Å; I563-M581 HydrophobicContact CG2-CE 3.97Å; I567-M581 HydrophobicContact CD1-CE 4.41Å; I567-M581 HydrophobicContact CG1-CE 4.42Å; V574-M581 HydrophobicContact CG1-SD 4.32Å; I577-M581 HydrophobicContact CD1-CG 4.29Å; I577-M581 HydrophobicContact CD1-SD 3.71Å; I577-M581 HydrophobicContact CG1-CG 4.28Å; I577-M581 HydrophobicContact CG1-SD 3.87Å; I577-M581 WeakPolarHBondContact O-CG 3.4Å; I577-M581 PolarHBondContact O-N 2.9Å; A578-M581 PolarHBondContact O-N 3.42Å; V579-M581 VanDerWaalsContact C-N 3.31Å; V579-M581 PolarHBondContact O-N 3.14Å; M581-Q583 VanDerWaalsContact C-N 3.25Å; M581-Q583 PolarHBondContact O-N 3.39Å; M581-H584 PolarHBondContact O-N 3.01Å; M581-H584 VanDerWaalsContact O-N 3.13Å; M581-L585 WeakPolarHBondContact O-CG 3.46Å; M581-L585 PolarHBondContact O-N 3.46Å; M581-I618 HydrophobicContact CB-CD1 4.14Å; M581-I618 HydrophobicContact CE-CD1 4.34Å |
| 582 | T | 92.9 | Very high | 89 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.3 | -36.9 | -179.4 | -53.7 | 0 | 0 | 0 | 0 | 111 | A578 V579 L585 A586 I615 L632 I635 | A578-T582 WeakPolarHBondContact O-CB 3.41Å; A578-T582 PolarHBondContact O-N 3.17Å; A578-T582 PolarHBondContact O-OG1 3.35Å; V579-T582 PolarHBondContact O-N 3.28Å; T582-L585 PolarHBondContact O-N 3.4Å; T582-A586 VanDerWaalsContact O-CB 3.28Å; T582-A586 WeakPolarHBondContact O-CB 3Å; T582-A586 PolarHBondContact O-N 3.26Å; T582-I615 HydrophobicContact CG2-CD1 4.5Å; T582-I615 HydrophobicContact CG2-CG1 4.3Å; T582-I615 HydrophobicContact CG2-CG2 3.78Å; T582-L632 HydrophobicContact CG2-CD2 4.05Å; T582-L632 WeakPolarHBondContact OG1-CD2 3.27Å; T582-I635 HydrophobicContact CG2-CB 4.26Å; T582-I635 HydrophobicContact CG2-CD1 4.35Å; T582-I635 HydrophobicContact CG2-CG2 3.93Å |
| 583 | Q | 93 | Very high | 88.7 | Confident | 50 Ų | 50 | 31.8 Ų | 31.8 | 23% | 0.234 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.7 | -43.3 | 174.7 | -176.2 | 55.4 | 43.5 | 0 | 0 | 112.1 | V579 M581 E587 I635 | V579-Q583 WeakPolarHBondContact O-CB 3.4Å; V579-Q583 PolarHBondContact O-N 3.26Å; M581-Q583 VanDerWaalsContact C-N 3.25Å; M581-Q583 PolarHBondContact O-N 3.39Å; Q583-E587 PolarHBondContact NE2-OE1 2.85Å; Q583-E587 WeakPolarHBondContact O-CG 3.47Å; Q583-E587 PolarHBondContact O-N 3.48Å; Q583-E587 VanDerWaalsContact O-N 3.1Å; Q583-I635 HydrophobicContact CB-CD1 4.11Å |
| 584 | H | 89.9 | Confident | 88 | Confident | 91 Ų | 91 | 36.2 Ų | 36.2 | 42% | 0.421 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -65.9 | -44.1 | 175.6 | -72.4 | 120.1 | 0 | 0 | 0 | 112.3 | L548 D580 M581 A586 E587 I588 | L548-H584 HydrophobicContact CD1-CB 4.37Å; D580-H584 PolarHBondContact O-N 2.92Å; D580-H584 PolarHBondContact O-ND1 3.35Å; M581-H584 PolarHBondContact O-N 3.01Å; M581-H584 VanDerWaalsContact O-N 3.13Å; H584-A586 VanDerWaalsContact C-N 3.34Å; H584-A586 PolarHBondContact O-N 2.93Å; H584-E587 WeakPolarHBondContact O-CB 3.35Å; H584-E587 PolarHBondContact O-N 3.15Å; H584-E587 VanDerWaalsContact O-N 3.16Å; H584-I588 WeakPolarHBondContact O-CG1 3.32Å; H584-I588 PolarHBondContact O-N 3.36Å |
| 585 | L | 90.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60 | -44.5 | 177 | -72 | 171.3 | 0 | 0 | 0 | 111.3 | L548 M581 T582 E587 I588 F589 I611 T614 I615 I618 | L548-L585 HydrophobicContact CD2-CD1 4.41Å; L548-L585 HydrophobicContact CD2-CD2 3.48Å; L548-L585 VanDerWaalsContact CD2-CD2 3.48Å; L548-L585 HydrophobicContact CD2-CG 3.73Å; M581-L585 WeakPolarHBondContact O-CG 3.46Å; M581-L585 PolarHBondContact O-N 3.46Å; T582-L585 PolarHBondContact O-N 3.4Å; L585-E587 VanDerWaalsContact C-N 3.29Å; L585-E587 PolarHBondContact O-N 2.94Å; L585-I588 PolarHBondContact O-N 3.4Å; L585-F589 WeakPolarHBondContact O-CB 3.45Å; L585-F589 PolarHBondContact O-N 2.9Å; L585-I611 HydrophobicContact CB-CG2 3.97Å; L585-I611 HydrophobicContact CD2-CG2 4.14Å; L585-T614 HydrophobicContact CD1-CG2 3.74Å; L585-I615 HydrophobicContact CB-CD1 3.88Å; L585-I615 HydrophobicContact CB-CG1 3.81Å; L585-I615 HydrophobicContact CD1-CG1 3.84Å; L585-I615 HydrophobicContact CG-CG1 4.47Å; L585-I618 HydrophobicContact CD1-CD1 3.86Å |
| 586 | A | 92.3 | Very high | 85.5 | Confident | 14 Ų | 14 | 45.9 Ų | 45.9 | 12% | 0.116 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60 | -37.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | T582 H584 G590 I635 I639 | T582-A586 VanDerWaalsContact O-CB 3.28Å; T582-A586 WeakPolarHBondContact O-CB 3Å; T582-A586 PolarHBondContact O-N 3.26Å; H584-A586 VanDerWaalsContact C-N 3.34Å; H584-A586 PolarHBondContact O-N 2.93Å; A586-G590 PolarHBondContact O-N 2.8Å; A586-I635 HydrophobicContact CB-CG2 3.59Å; A586-I639 HydrophobicContact CB-CD1 3.72Å; A586-I639 HydrophobicContact CB-CG1 4.01Å |
| 587 | E | 90.8 | Very high | 83.8 | Confident | 84 Ų | 84 | 47.4 Ų | 47.4 | 39% | 0.393 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -70.4 | -37.2 | 176.1 | -75.9 | 173.3 | -159.8 | 0 | 0 | 112.9 | Q583 H584 L585 K591 | Q583-E587 PolarHBondContact NE2-OE1 2.85Å; Q583-E587 WeakPolarHBondContact O-CG 3.47Å; Q583-E587 PolarHBondContact O-N 3.48Å; Q583-E587 VanDerWaalsContact O-N 3.1Å; H584-E587 WeakPolarHBondContact O-CB 3.35Å; H584-E587 PolarHBondContact O-N 3.15Å; H584-E587 VanDerWaalsContact O-N 3.16Å; L585-E587 VanDerWaalsContact C-N 3.29Å; L585-E587 PolarHBondContact O-N 2.94Å; E587-K591 WeakPolarHBondContact O-CG 3.49Å; E587-K591 PolarHBondContact O-N 3.23Å |
| 588 | I | 86.1 | Confident | 82.1 | Confident | 13 Ų | 13 | 48.4 Ų | 48.4 | 7% | 0.067 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.3 | -52.8 | 174.5 | -62.4 | 164.2 | 0 | 0 | 0 | 108.7 | R552 H584 L585 G590 K591 V592 I611 | R552-I588 HydrophobicContact CB-CD1 3.86Å; R552-I588 HydrophobicContact CB-CG1 4.07Å; R552-I588 HydrophobicContact CG-CG1 4.25Å; H584-I588 WeakPolarHBondContact O-CG1 3.32Å; H584-I588 PolarHBondContact O-N 3.36Å; L585-I588 PolarHBondContact O-N 3.4Å; I588-G590 VanDerWaalsContact C-N 3.31Å; I588-G590 PolarHBondContact O-N 3.39Å; I588-K591 WeakPolarHBondContact O-CB 3.45Å; I588-K591 PolarHBondContact O-N 3.01Å; I588-V592 HydrophobicContact CG2-CG2 4.47Å; I588-V592 WeakPolarHBondContact O-CG2 3.18Å; I588-V592 PolarHBondContact O-N 3.21Å; I588-I611 HydrophobicContact CB-CD1 4.21Å; I588-I611 HydrophobicContact CG2-CD1 3.53Å |
| 589 | F | 89.2 | Confident | 80.1 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -52.9 | -47.2 | 176.8 | -179.3 | -102.6 | 0 | 0 | 0 | 112.4 | L585 K591 V592 L593 A608 I611 L612 I639 V643 F651 | L585-F589 WeakPolarHBondContact O-CB 3.45Å; L585-F589 PolarHBondContact O-N 2.9Å; F589-K591 VanDerWaalsContact C-N 3.27Å; F589-K591 PolarHBondContact O-N 2.88Å; F589-V592 PolarHBondContact O-N 2.67Å; F589-L593 HydrophobicContact CD1-CD1 3.68Å; F589-L593 HydrophobicContact CD2-CD1 4.43Å; F589-L593 HydrophobicContact CE1-CD1 3.07Å; F589-L593 HydrophobicContact CE1-CG 4.44Å; F589-L593 HydrophobicContact CE2-CD1 3.92Å; F589-L593 HydrophobicContact CG-CD1 4.33Å; F589-L593 HydrophobicContact CZ-CD1 3.22Å; F589-L593 HydrophobicContact CZ-CG 4.36Å; F589-L593 PolarHBondContact O-N 3.12Å; F589-L593 VanDerWaalsContact O-N 3.08Å; F589-A608 HydrophobicContact CD2-CB 4.02Å; F589-A608 HydrophobicContact CE2-CB 3.95Å; F589-I611 HydrophobicContact CB-CG2 4.01Å; F589-L612 HydrophobicContact CD1-CD2 4.37Å; F589-L612 HydrophobicContact CD2-CD1 4.45Å; F589-L612 HydrophobicContact CD2-CD2 3.93Å; F589-L612 HydrophobicContact CD2-CG 3.99Å; F589-L612 HydrophobicContact CE1-CD2 4.18Å; F589-L612 HydrophobicContact CE2-CD1 3.6Å; F589-L612 HydrophobicContact CE2-CD2 3.74Å; F589-L612 HydrophobicContact CE2-CG 3.62Å; F589-L612 HydrophobicContact CG-CD2 4.24Å; F589-L612 HydrophobicContact CZ-CD1 3.8Å; F589-L612 HydrophobicContact CZ-CD2 3.85Å; F589-L612 HydrophobicContact CZ-CG 4.1Å; F589-I639 HydrophobicContact CD1-CG2 3.83Å; F589-I639 HydrophobicContact CE1-CG2 3.53Å; F589-I639 HydrophobicContact CZ-CG2 4.25Å; F589-V643 HydrophobicContact CE1-CG2 3.82Å; F589-V643 HydrophobicContact CZ-CG2 3.69Å; F589-F651 HydrophobicContact CE2-CD2 4.34Å; F589-F651 HydrophobicContact CE2-CE2 4.31Å; F589-F651 HydrophobicContact CE2-CG 4.5Å; F589-F651 HydrophobicContact CE2-CZ 4.47Å; F589-F651 HydrophobicContact CZ-CD2 4.1Å; F589-F651 HydrophobicContact CZ-CE2 4.39Å; F589-F651 HydrophobicContact CZ-CG 4.4Å |
| 590 | G | 88.1 | Confident | 78.1 | Confident | 11 Ų | 11 | 64.4 Ų | 64.4 | 11% | 0.113 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.2 | -31.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | A586 I588 Q594 | A586-G590 PolarHBondContact O-N 2.8Å; I588-G590 VanDerWaalsContact C-N 3.31Å; I588-G590 PolarHBondContact O-N 3.39Å; G590-Q594 WeakPolarHBondContact O-CB 3.26Å; G590-Q594 WeakPolarHBondContact O-CG 3.3Å; G590-Q594 PolarHBondContact O-N 3.36Å |
| 591 | K | 83.8 | Confident | 76.6 | Confident | 99 Ų | 99 | 62.7 Ų | 62.7 | 43% | 0.43 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -73.9 | -42.5 | 174.7 | -74 | 172.2 | -175.1 | 171.7 | 0 | 112.1 | E587 I588 F589 L593 Q594 S595 | E587-K591 WeakPolarHBondContact O-CG 3.49Å; E587-K591 PolarHBondContact O-N 3.23Å; I588-K591 WeakPolarHBondContact O-CB 3.45Å; I588-K591 PolarHBondContact O-N 3.01Å; F589-K591 VanDerWaalsContact C-N 3.27Å; F589-K591 PolarHBondContact O-N 2.88Å; K591-L593 VanDerWaalsContact C-N 3.3Å; K591-L593 PolarHBondContact O-N 3.34Å; K591-Q594 PolarHBondContact O-N 3.47Å; K591-S595 PolarHBondContact O-N 3.35Å; K591-S595 VanDerWaalsContact O-N 3.17Å |
| 592 | V | 80.7 | Confident | 75.3 | Confident | 9 Ų | 9 | 70 Ų | 70 | 6% | 0.055 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -56.7 | -49.2 | 177.9 | 177.2 | 0 | 0 | 0 | 0 | 109.7 | I588 F589 Q594 S595 K604 M607 A608 | I588-V592 HydrophobicContact CG2-CG2 4.47Å; I588-V592 WeakPolarHBondContact O-CG2 3.18Å; I588-V592 PolarHBondContact O-N 3.21Å; F589-V592 PolarHBondContact O-N 2.67Å; V592-Q594 VanDerWaalsContact C-N 3.27Å; V592-Q594 PolarHBondContact O-N 2.97Å; V592-S595 PolarHBondContact O-N 3.5Å; V592-S595 PolarHBondContact O-OG 3.34Å; V592-K604 HydrophobicContact CG1-CB 4.12Å; V592-M607 HydrophobicContact CB-CE 4.35Å; V592-M607 HydrophobicContact CG1-CE 3.98Å; V592-M607 HydrophobicContact CG2-CE 3.37Å; V592-M607 HydrophobicContact CG2-SD 4.48Å; V592-A608 HydrophobicContact CG1-CB 4.22Å |
| 593 | L | 79.8 | Confident | 74 | Confident | 6 Ų | 6 | 75.4 Ų | 75.4 | 3% | 0.031 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -19.4 | 176 | -93.3 | 159.8 | 0 | 0 | 0 | 115.3 | F589 K591 L642 V643 K646 V648 F651 | F589-L593 HydrophobicContact CD1-CD1 3.68Å; F589-L593 HydrophobicContact CD2-CD1 4.43Å; F589-L593 HydrophobicContact CE1-CD1 3.07Å; F589-L593 HydrophobicContact CE1-CG 4.44Å; F589-L593 HydrophobicContact CE2-CD1 3.92Å; F589-L593 HydrophobicContact CG-CD1 4.33Å; F589-L593 HydrophobicContact CZ-CD1 3.22Å; F589-L593 HydrophobicContact CZ-CG 4.36Å; F589-L593 PolarHBondContact O-N 3.12Å; F589-L593 VanDerWaalsContact O-N 3.08Å; K591-L593 VanDerWaalsContact C-N 3.3Å; K591-L593 PolarHBondContact O-N 3.34Å; L593-L642 HydrophobicContact CD1-CD2 4Å; L593-L642 HydrophobicContact CD1-CG 4.43Å; L593-V643 HydrophobicContact CD1-CG2 4.41Å; L593-K646 HydrophobicContact CD2-CD 4.38Å; L593-K646 PolarHBondContact O-NZ 3.26Å; L593-V648 HydrophobicContact CD2-CB 4.36Å; L593-V648 HydrophobicContact CD2-CG1 4.35Å; L593-V648 HydrophobicContact CD2-CG2 3.71Å; L593-F651 HydrophobicContact CD1-CE2 4.45Å; L593-F651 HydrophobicContact CD2-CD2 4.44Å; L593-F651 HydrophobicContact CD2-CE2 4.02Å; L593-F651 HydrophobicContact CG-CE2 4.23Å |
| 594 | Q | 75.6 | Confident | 73.1 | Confident | 132 Ų | 132 | 74 Ų | 74 | 62% | 0.617 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -8.4 | 179.2 | -78.2 | 174 | 23.2 | 0 | 0 | 113.1 | G590 K591 V592 D596 | G590-Q594 WeakPolarHBondContact O-CB 3.26Å; G590-Q594 WeakPolarHBondContact O-CG 3.3Å; G590-Q594 PolarHBondContact O-N 3.36Å; K591-Q594 PolarHBondContact O-N 3.47Å; V592-Q594 VanDerWaalsContact C-N 3.27Å; V592-Q594 PolarHBondContact O-N 2.97Å; Q594-D596 PolarHBondContact O-N 3.04Å |
| 595 | S | 69.1 | Low | 72.6 | Confident | 36 Ų | 36 | 70.7 Ų | 70.7 | 25% | 0.252 | 35% | 0.352 | S | S | . | . | trans | -69.9 | 128.7 | 177.1 | 72 | 0 | 0 | 0 | 0 | 110.4 | K591 V592 E597 Y598 | K591-S595 PolarHBondContact O-N 3.35Å; K591-S595 VanDerWaalsContact O-N 3.17Å; V592-S595 PolarHBondContact O-N 3.5Å; V592-S595 PolarHBondContact O-OG 3.34Å; S595-E597 PolarHBondContact O-N 2.99Å; S595-Y598 WeakPolarHBondContact O-CB 3.19Å; S595-Y598 PolarHBondContact O-N 3.48Å; S595-Y598 VanDerWaalsContact O-N 3.13Å | ||
| 596 | D | 54.5 | Low | 72.1 | Confident | 175 Ų | 175 | 74.3 Ų | 74.3 | 94% | 0.936 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -5.1 | 178.9 | -71.5 | -35.6 | 0 | 0 | 0 | 113 | Q594 | Q594-D596 PolarHBondContact O-N 3.04Š|
| 597 | E | 52.1 | Low | 71.5 | Confident | 129 Ų | 129 | 73.9 Ų | 73.9 | 60% | 0.603 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | 4.8 | 179.8 | -65.7 | 174.4 | 172.9 | 0 | 0 | 113.3 | S595 E599 E600 K604 | S595-E597 PolarHBondContact O-N 2.99Å; E597-E599 PolarHBondContact O-N 3.17Å; E597-E600 PolarHBondContact O-N 3.14Å; E597-K604 IonicContact OE2-NZ 3.86Å; E597-K604 PolarHBondContact OE2-NZ 3.34Å |
| 598 | Y | 53 | Low | 71.3 | Confident | 34 Ų | 34 | 69.9 Ų | 69.9 | 13% | 0.133 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -60.4 | -29.2 | -178.7 | -177.9 | -93.2 | 0 | 0 | 0 | 112.8 | S595 E600 V648 E650 F651 | S595-Y598 WeakPolarHBondContact O-CB 3.19Å; S595-Y598 PolarHBondContact O-N 3.48Å; S595-Y598 VanDerWaalsContact O-N 3.13Å; Y598-E600 PolarHBondContact O-N 3.23Å; Y598-V648 HydrophobicContact CE1-CG1 3.9Å; Y598-V648 WeakPolarHBondContact OH-CG1 3.3Å; Y598-E650 PolarHBondContact OH-OE2 3.11Å; Y598-F651 AromaticContact CE2-CE2 3.96Å; Y598-F651 HydrophobicContact CE2-CE2 3.96Å; Y598-F651 AromaticContact CE2-CZ 3.94Å; Y598-F651 HydrophobicContact CE2-CZ 3.94Å; Y598-F651 AromaticContact CZ-CE2 3.73Å; Y598-F651 AromaticContact CZ-CZ 3.9Å; Y598-F651 WeakPolarHBondContact OH-CE2 3.22Å; Y598-F651 WeakPolarHBondContact OH-CZ 3.27Å |
| 599 | E | 49.9 | Very low | 71.3 | Confident | 189 Ų | 189 | 72.2 Ų | 72.2 | 88% | 0.883 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -73.4 | -3.2 | -174.8 | -67 | -171.8 | 173 | 0 | 0 | 115 | E597 | E597-E599 PolarHBondContact O-N 3.17Š|
| 600 | E | 48.5 | Very low | 71.2 | Confident | 187 Ų | 187 | 72.5 Ų | 72.5 | 87% | 0.874 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -136.7 | 5.1 | -173 | -64.9 | -171.3 | 166.5 | 0 | 0 | 116.6 | E597 Y598 | E597-E600 PolarHBondContact O-N 3.14Å; Y598-E600 PolarHBondContact O-N 3.23Å |
| 601 | V | 59 | Low | 71.2 | Confident | 51 Ų | 51 | 72 Ų | 72 | 31% | 0.309 | 36% | 0.36 | S | S | . | . | trans | -127.8 | 102.3 | -174.8 | -171 | 0 | 0 | 0 | 0 | 112.8 | D603 K604 | V601-D603 VanDerWaalsContact C-N 3.26Å; V601-D603 HydrophobicContact CG1-CB 4.09Å; V601-D603 PolarHBondContact O-N 3.21Å; V601-K604 HydrophobicContact CB-CD 4.36Å; V601-K604 HydrophobicContact CB-CG 4.31Å; V601-K604 HydrophobicContact CG1-CG 4.17Å; V601-K604 PolarHBondContact O-N 3.44Å | ||
| 602 | E | 62.9 | Low | 71.6 | Confident | 158 Ų | 158 | 67.3 Ų | 67.3 | 74% | 0.738 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -53.8 | -38.1 | 177.8 | -72.2 | 175.5 | 177.1 | 0 | 0 | 112.6 | K604 T605 V606 | E602-K604 VanDerWaalsContact C-N 3.27Å; E602-K604 PolarHBondContact O-N 3.13Å; E602-T605 WeakPolarHBondContact O-CB 3.39Å; E602-T605 PolarHBondContact O-N 3.38Å; E602-T605 VanDerWaalsContact O-N 3.09Å; E602-V606 PolarHBondContact O-N 3.16Å |
| 603 | D | 65.4 | Low | 72.1 | Confident | 115 Ų | 115 | 71.6 Ų | 71.6 | 62% | 0.615 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -59.9 | -33.7 | -179 | -56.2 | -21.2 | 0 | 0 | 0 | 113.5 | V601 T605 M607 | V601-D603 VanDerWaalsContact C-N 3.26Å; V601-D603 HydrophobicContact CG1-CB 4.09Å; V601-D603 PolarHBondContact O-N 3.21Å; D603-T605 VanDerWaalsContact C-N 3.35Å; D603-M607 PolarHBondContact O-N 3.46Å |
| 604 | K | 73.1 | Confident | 72.5 | Confident | 21 Ų | 21 | 71.3 Ų | 71.3 | 9% | 0.091 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -72.8 | -30.4 | 179.6 | -70.9 | -175.5 | -176.5 | 169.3 | 0 | 111.7 | V592 E597 V601 E602 A608 | V592-K604 HydrophobicContact CG1-CB 4.12Å; E597-K604 IonicContact OE2-NZ 3.86Å; E597-K604 PolarHBondContact OE2-NZ 3.34Å; V601-K604 HydrophobicContact CB-CD 4.36Å; V601-K604 HydrophobicContact CB-CG 4.31Å; V601-K604 HydrophobicContact CG1-CG 4.17Å; V601-K604 PolarHBondContact O-N 3.44Å; E602-K604 VanDerWaalsContact C-N 3.27Å; E602-K604 PolarHBondContact O-N 3.13Å; K604-A608 VanDerWaalsContact O-CB 3.31Å; K604-A608 WeakPolarHBondContact O-CB 3.24Å; K604-A608 PolarHBondContact O-N 3.11Å; K604-A608 VanDerWaalsContact O-N 3.1Å |
| 605 | T | 79.8 | Confident | 73.4 | Confident | 21 Ų | 21 | 65 Ų | 65 | 13% | 0.129 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -70 | -46.7 | 176 | -58.7 | 0 | 0 | 0 | 0 | 110.4 | E602 D603 M607 A608 M609 E650 F651 | E602-T605 WeakPolarHBondContact O-CB 3.39Å; E602-T605 PolarHBondContact O-N 3.38Å; E602-T605 VanDerWaalsContact O-N 3.09Å; D603-T605 VanDerWaalsContact C-N 3.35Å; T605-M607 PolarHBondContact O-N 2.72Å; T605-A608 WeakPolarHBondContact O-CB 2.96Å; T605-A608 PolarHBondContact O-N 3.13Å; T605-A608 VanDerWaalsContact O-N 3.1Å; T605-M609 HydrophobicContact CG2-CE 3.86Å; T605-M609 HydrophobicContact CG2-SD 4.26Å; T605-M609 WeakPolarHBondContact O-CG 3.37Å; T605-M609 PolarHBondContact O-N 3.18Å; T605-E650 HydrophobicContact CG2-CB 4.33Å; T605-E650 PolarHBondContact OG1-OE2 2.99Å; T605-F651 HydrophobicContact CG2-CE1 3.98Å; T605-F651 HydrophobicContact CG2-CZ 4.21Å |
| 606 | V | 79.7 | Confident | 74.5 | Confident | 76 Ų | 76 | 64.1 Ų | 64.1 | 46% | 0.461 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.3 | -48.9 | 177.6 | 178.4 | 0 | 0 | 0 | 0 | 111.2 | D557 E602 A608 M609 G610 | D557-V606 HydrophobicContact CB-CG1 4.41Å; E602-V606 PolarHBondContact O-N 3.16Å; V606-A608 VanDerWaalsContact C-N 3.31Å; V606-A608 PolarHBondContact O-N 3.29Å; V606-M609 WeakPolarHBondContact O-CB 3.43Å; V606-M609 PolarHBondContact O-N 3.28Å; V606-G610 PolarHBondContact O-N 2.83Å |
| 607 | M | 80.3 | Confident | 76.2 | Confident | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.02 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59 | -42.9 | 175.7 | 176.4 | -167.5 | 43.8 | 0 | 0 | 111.9 | E555 V592 D603 T605 M609 G610 I611 | E555-M607 WeakPolarHBondContact CA-SD 3.45Å; E555-M607 HydrophobicContact CB-CE 3.9Å; E555-M607 HydrophobicContact CB-SD 3.45Å; E555-M607 WeakPolarHBondContact CB-SD 3.36Å; E555-M607 HydrophobicContact CG-CE 3.9Å; E555-M607 HydrophobicContact CG-SD 3.75Å; V592-M607 HydrophobicContact CB-CE 4.35Å; V592-M607 HydrophobicContact CG1-CE 3.98Å; V592-M607 HydrophobicContact CG2-CE 3.37Å; V592-M607 HydrophobicContact CG2-SD 4.48Å; D603-M607 PolarHBondContact O-N 3.46Å; T605-M607 PolarHBondContact O-N 2.72Å; M607-M609 VanDerWaalsContact C-N 3.33Å; M607-M609 PolarHBondContact O-N 3.3Å; M607-G610 PolarHBondContact O-N 2.85Å; M607-I611 HydrophobicContact CG-CD1 4.08Å; M607-I611 WeakPolarHBondContact O-CG1 3.32Å; M607-I611 PolarHBondContact O-N 3.08Å; M607-I611 HydrophobicContact SD-CD1 4.44Å |
| 608 | A | 86.1 | Confident | 78 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63 | -40 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F589 V592 K604 T605 V606 I611 L612 F651 | F589-A608 HydrophobicContact CD2-CB 4.02Å; F589-A608 HydrophobicContact CE2-CB 3.95Å; V592-A608 HydrophobicContact CG1-CB 4.22Å; K604-A608 VanDerWaalsContact O-CB 3.31Å; K604-A608 WeakPolarHBondContact O-CB 3.24Å; K604-A608 PolarHBondContact O-N 3.11Å; K604-A608 VanDerWaalsContact O-N 3.1Å; T605-A608 WeakPolarHBondContact O-CB 2.96Å; T605-A608 PolarHBondContact O-N 3.13Å; T605-A608 VanDerWaalsContact O-N 3.1Å; V606-A608 VanDerWaalsContact C-N 3.31Å; V606-A608 PolarHBondContact O-N 3.29Å; A608-I611 PolarHBondContact O-N 3.06Å; A608-L612 WeakPolarHBondContact O-CG 3.42Å; A608-L612 PolarHBondContact O-N 2.73Å; A608-L612 VanDerWaalsContact O-N 3.09Å; A608-F651 HydrophobicContact CB-CE1 3.6Å; A608-F651 HydrophobicContact CB-CE2 4.37Å; A608-F651 HydrophobicContact CB-CZ 3.42Å; A608-F651 VanDerWaalsContact CB-CZ 3.42Å |
| 609 | M | 87.5 | Confident | 79.8 | Confident | 62 Ų | 62 | 49 Ų | 49 | 31% | 0.305 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61 | -48 | 171.1 | -66.4 | 170.6 | 164.5 | 0 | 0 | 110.9 | T605 V606 M607 I611 L612 H613 E650 F651 E654 | T605-M609 HydrophobicContact CG2-CE 3.86Å; T605-M609 HydrophobicContact CG2-SD 4.26Å; T605-M609 WeakPolarHBondContact O-CG 3.37Å; T605-M609 PolarHBondContact O-N 3.18Å; V606-M609 WeakPolarHBondContact O-CB 3.43Å; V606-M609 PolarHBondContact O-N 3.28Å; M607-M609 VanDerWaalsContact C-N 3.33Å; M607-M609 PolarHBondContact O-N 3.3Å; M609-I611 VanDerWaalsContact C-N 3.26Å; M609-I611 PolarHBondContact O-N 3.28Å; M609-L612 PolarHBondContact O-N 3.36Å; M609-H613 PolarHBondContact O-N 3.06Å; M609-E650 VanDerWaalsContact CE-O 3.26Å; M609-E650 WeakPolarHBondContact CE-O 3.47Å; M609-F651 HydrophobicContact CG-CD1 4.05Å; M609-F651 HydrophobicContact CG-CE1 3.9Å; M609-E654 WeakPolarHBondContact CG-OE1 3.07Å |
| 610 | G | 85.6 | Confident | 81.6 | Confident | 8 Ų | 8 | 43.8 Ų | 43.8 | 8% | 0.082 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.1 | -36.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q564 V606 M607 T614 | Q564-G610 PolarHBondContact NE2-O 3.11Å; V606-G610 PolarHBondContact O-N 2.83Å; M607-G610 PolarHBondContact O-N 2.85Å; G610-T614 WeakPolarHBondContact O-CB 3.3Å; G610-T614 PolarHBondContact O-N 2.72Å; G610-T614 PolarHBondContact O-OG1 3.12Å |
| 611 | I | 89.5 | Confident | 83.5 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.3 | -47.8 | 173.2 | -68.7 | 164.7 | 0 | 0 | 0 | 111.3 | T560 L585 I588 F589 M607 A608 M609 T614 I615 | T560-I611 HydrophobicContact CG2-CG1 4.23Å; L585-I611 HydrophobicContact CB-CG2 3.97Å; L585-I611 HydrophobicContact CD2-CG2 4.14Å; I588-I611 HydrophobicContact CB-CD1 4.21Å; I588-I611 HydrophobicContact CG2-CD1 3.53Å; F589-I611 HydrophobicContact CB-CG2 4.01Å; M607-I611 HydrophobicContact CG-CD1 4.08Å; M607-I611 WeakPolarHBondContact O-CG1 3.32Å; M607-I611 PolarHBondContact O-N 3.08Å; M607-I611 HydrophobicContact SD-CD1 4.44Å; A608-I611 PolarHBondContact O-N 3.06Å; M609-I611 VanDerWaalsContact C-N 3.26Å; M609-I611 PolarHBondContact O-N 3.28Å; I611-T614 WeakPolarHBondContact O-CB 3.34Å; I611-T614 PolarHBondContact O-N 2.69Å; I611-I615 HydrophobicContact CG2-CD1 4.31Å; I611-I615 WeakPolarHBondContact O-CG1 3.48Å; I611-I615 PolarHBondContact O-N 2.79Å |
| 612 | L | 92.2 | Very high | 84.8 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.8 | -42.9 | 179.1 | -65.3 | 178.8 | 0 | 0 | 0 | 111.3 | F589 A608 M609 T614 I615 D616 I639 F651 E654 L658 | F589-L612 HydrophobicContact CD1-CD2 4.37Å; F589-L612 HydrophobicContact CD2-CD1 4.45Å; F589-L612 HydrophobicContact CD2-CD2 3.93Å; F589-L612 HydrophobicContact CD2-CG 3.99Å; F589-L612 HydrophobicContact CE1-CD2 4.18Å; F589-L612 HydrophobicContact CE2-CD1 3.6Å; F589-L612 HydrophobicContact CE2-CD2 3.74Å; F589-L612 HydrophobicContact CE2-CG 3.62Å; F589-L612 HydrophobicContact CG-CD2 4.24Å; F589-L612 HydrophobicContact CZ-CD1 3.8Å; F589-L612 HydrophobicContact CZ-CD2 3.85Å; F589-L612 HydrophobicContact CZ-CG 4.1Å; A608-L612 WeakPolarHBondContact O-CG 3.42Å; A608-L612 PolarHBondContact O-N 2.73Å; A608-L612 VanDerWaalsContact O-N 3.09Å; M609-L612 PolarHBondContact O-N 3.36Å; L612-T614 VanDerWaalsContact C-N 3.28Å; L612-T614 PolarHBondContact O-N 2.78Å; L612-I615 WeakPolarHBondContact O-CB 3.31Å; L612-I615 PolarHBondContact O-N 2.84Å; L612-I615 VanDerWaalsContact O-N 3.1Å; L612-D616 PolarHBondContact O-N 3.25Å; L612-I639 HydrophobicContact CD2-CG2 3.52Å; L612-F651 HydrophobicContact CD1-CB 4.14Å; L612-F651 HydrophobicContact CD1-CD1 4.16Å; L612-F651 HydrophobicContact CD1-CG 4.27Å; L612-E654 HydrophobicContact CB-CB 3.87Å; L612-E654 HydrophobicContact CB-CG 4.22Å; L612-E654 HydrophobicContact CD1-CB 3.48Å; L612-E654 VanDerWaalsContact CD1-CB 3.48Å; L612-E654 HydrophobicContact CD1-CG 4.09Å; L612-E654 HydrophobicContact CG-CB 4.32Å; L612-L658 HydrophobicContact CD2-CD1 4.03Å |
| 613 | H | 90.2 | Very high | 85.7 | Confident | 99 Ų | 99 | 29.5 Ų | 29.5 | 46% | 0.458 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -63 | -35.6 | 175.4 | -167 | 58.5 | 0 | 0 | 0 | 112.3 | Q564 M609 D616 T617 | Q564-H613 PolarHBondContact NE2-CD2 2.87Å; Q564-H613 VanDerWaalsContact NE2-CD2 3.34Å; Q564-H613 PolarHBondContact OE1-CD2 2.64Å; M609-H613 PolarHBondContact O-N 3.06Å; H613-D616 PolarHBondContact O-N 3.43Å; H613-T617 PolarHBondContact O-N 3.23Å; H613-T617 PolarHBondContact O-OG1 2.72Å |
| 614 | T | 89.3 | Confident | 86.6 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.4 | -41.2 | 172.8 | -55.4 | 0 | 0 | 0 | 0 | 111.7 | I563 Q564 I567 L585 G610 I611 L612 D616 T617 I618 | I563-T614 HydrophobicContact CB-CG2 4.26Å; I563-T614 HydrophobicContact CG2-CG2 3.6Å; Q564-T614 HydrophobicContact CG-CG2 4.15Å; Q564-T614 PolarHBondContact NE2-OG1 3.48Å; Q564-T614 VanDerWaalsContact NE2-OG1 3.11Å; I567-T614 HydrophobicContact CD1-CG2 3.84Å; L585-T614 HydrophobicContact CD1-CG2 3.74Å; G610-T614 WeakPolarHBondContact O-CB 3.3Å; G610-T614 PolarHBondContact O-N 2.72Å; G610-T614 PolarHBondContact O-OG1 3.12Å; I611-T614 WeakPolarHBondContact O-CB 3.34Å; I611-T614 PolarHBondContact O-N 2.69Å; L612-T614 VanDerWaalsContact C-N 3.28Å; L612-T614 PolarHBondContact O-N 2.78Å; T614-D616 VanDerWaalsContact C-N 3.33Å; T614-T617 PolarHBondContact O-N 2.79Å; T614-I618 WeakPolarHBondContact O-CG1 3.48Å; T614-I618 PolarHBondContact O-N 2.87Å; T614-I618 VanDerWaalsContact O-N 3.09Å |
| 615 | I | 93.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.9 | -42.2 | 175.2 | -65.4 | 172.1 | 0 | 0 | 0 | 110.4 | T582 L585 I611 L612 T617 I618 L619 I639 L658 | T582-I615 HydrophobicContact CG2-CD1 4.5Å; T582-I615 HydrophobicContact CG2-CG1 4.3Å; T582-I615 HydrophobicContact CG2-CG2 3.78Å; L585-I615 HydrophobicContact CB-CD1 3.88Å; L585-I615 HydrophobicContact CB-CG1 3.81Å; L585-I615 HydrophobicContact CD1-CG1 3.84Å; L585-I615 HydrophobicContact CG-CG1 4.47Å; I611-I615 HydrophobicContact CG2-CD1 4.31Å; I611-I615 WeakPolarHBondContact O-CG1 3.48Å; I611-I615 PolarHBondContact O-N 2.79Å; L612-I615 WeakPolarHBondContact O-CB 3.31Å; L612-I615 PolarHBondContact O-N 2.84Å; L612-I615 VanDerWaalsContact O-N 3.1Å; I615-T617 VanDerWaalsContact C-N 3.35Å; I615-T617 PolarHBondContact O-N 3.44Å; I615-I618 WeakPolarHBondContact O-CB 3.22Å; I615-I618 PolarHBondContact O-N 3.29Å; I615-I618 VanDerWaalsContact O-N 3.13Å; I615-L619 PolarHBondContact O-N 2.99Å; I615-I639 HydrophobicContact CD1-CD1 3.47Å; I615-I639 VanDerWaalsContact CD1-CD1 3.47Å; I615-L658 HydrophobicContact CB-CD2 4.14Å; I615-L658 HydrophobicContact CG2-CD2 3.75Å |
| 616 | D | 92 | Very high | 87.3 | Confident | 17 Ų | 17 | 40.4 Ų | 40.4 | 9% | 0.091 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61 | -44.4 | 177.3 | -162.1 | 37.7 | 0 | 0 | 0 | 111.4 | L612 H613 T614 I618 L619 T620 S657 L658 S661 | L612-D616 PolarHBondContact O-N 3.25Å; H613-D616 PolarHBondContact O-N 3.43Å; T614-D616 VanDerWaalsContact C-N 3.33Å; D616-I618 VanDerWaalsContact C-N 3.28Å; D616-I618 PolarHBondContact O-N 2.72Å; D616-L619 WeakPolarHBondContact O-CA 3.4Å; D616-L619 WeakPolarHBondContact O-CB 3.43Å; D616-L619 PolarHBondContact O-N 3.18Å; D616-T620 PolarHBondContact O-N 3.32Å; D616-T620 PolarHBondContact O-OG1 3.49Å; D616-T620 VanDerWaalsContact O-OG1 3.08Å; D616-S657 PolarHBondContact OD2-OG 3.25Å; D616-L658 HydrophobicContact CB-CD2 3.74Å; D616-S661 VanDerWaalsContact OD1-CB 3.32Å; D616-S661 WeakPolarHBondContact OD1-CB 3.41Å; D616-S661 PolarHBondContact OD1-OG 2.94Å |
| 617 | T | 90.1 | Very high | 87.6 | Confident | 16 Ų | 16 | 44.4 Ų | 44.4 | 10% | 0.098 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.7 | -39.8 | 173.6 | -56.8 | 0 | 0 | 0 | 0 | 112.1 | Q564 I567 H613 T614 I615 T620 V621 | Q564-T617 HydrophobicContact CB-CG2 4.5Å; I567-T617 HydrophobicContact CB-CG2 4.22Å; I567-T617 HydrophobicContact CG2-CG2 3.91Å; H613-T617 PolarHBondContact O-N 3.23Å; H613-T617 PolarHBondContact O-OG1 2.72Å; T614-T617 PolarHBondContact O-N 2.79Å; I615-T617 VanDerWaalsContact C-N 3.35Å; I615-T617 PolarHBondContact O-N 3.44Å; T617-T620 PolarHBondContact O-N 3.19Å; T617-V621 WeakPolarHBondContact O-CB 3.25Å; T617-V621 WeakPolarHBondContact O-CG2 3.39Å; T617-V621 PolarHBondContact O-N 3.43Å |
| 618 | I | 90.8 | Very high | 88 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.6 | -44 | 174.2 | -65.3 | 170.8 | 0 | 0 | 0 | 110.3 | I567 A578 M581 L585 T614 I615 D616 V621 V622 L632 | I567-I618 HydrophobicContact CD1-CD1 4.09Å; I567-I618 HydrophobicContact CD1-CG1 3.47Å; I567-I618 VanDerWaalsContact CD1-CG1 3.47Å; I567-I618 HydrophobicContact CG1-CG1 4.25Å; I567-I618 HydrophobicContact CG2-CG1 4.47Å; A578-I618 HydrophobicContact CB-CG2 3.72Å; M581-I618 HydrophobicContact CB-CD1 4.14Å; M581-I618 HydrophobicContact CE-CD1 4.34Å; L585-I618 HydrophobicContact CD1-CD1 3.86Å; T614-I618 WeakPolarHBondContact O-CG1 3.48Å; T614-I618 PolarHBondContact O-N 2.87Å; T614-I618 VanDerWaalsContact O-N 3.09Å; I615-I618 WeakPolarHBondContact O-CB 3.22Å; I615-I618 PolarHBondContact O-N 3.29Å; I615-I618 VanDerWaalsContact O-N 3.13Å; D616-I618 VanDerWaalsContact C-N 3.28Å; D616-I618 PolarHBondContact O-N 2.72Å; I618-V621 PolarHBondContact O-N 2.58Å; I618-V622 WeakPolarHBondContact O-CG2 3.34Å; I618-V622 PolarHBondContact O-N 3Å; I618-L632 HydrophobicContact CG2-CD1 4.03Å |
| 619 | L | 90.9 | Very high | 88.1 | Confident | 5 Ų | 5 | 46.9 Ų | 46.9 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.5 | -44.9 | 178.5 | -68.5 | 173.8 | 0 | 0 | 0 | 111.6 | I615 D616 V621 V622 E623 L632 L658 L662 | I615-L619 PolarHBondContact O-N 2.99Å; D616-L619 WeakPolarHBondContact O-CA 3.4Å; D616-L619 WeakPolarHBondContact O-CB 3.43Å; D616-L619 PolarHBondContact O-N 3.18Å; L619-V621 VanDerWaalsContact C-N 3.34Å; L619-V621 PolarHBondContact O-N 3.44Å; L619-V622 PolarHBondContact O-N 2.82Å; L619-E623 PolarHBondContact O-N 3.09Å; L619-E623 VanDerWaalsContact O-N 3.13Å; L619-L632 HydrophobicContact CD2-CB 3.81Å; L619-L632 HydrophobicContact CD2-CD1 3.84Å; L619-L632 HydrophobicContact CD2-CG 4.49Å; L619-L658 HydrophobicContact CD1-CD2 3.72Å; L619-L662 HydrophobicContact CD1-CD2 4.25Å; L619-L662 HydrophobicContact CD1-CG 4.08Å; L619-L662 HydrophobicContact CD2-CD2 3.68Å; L619-L662 HydrophobicContact CD2-CG 4.41Å |
| 620 | T | 88.1 | Confident | 88.1 | Confident | 79 Ų | 79 | 50.3 Ų | 50.3 | 49% | 0.485 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62 | -40.8 | 176.4 | -45.2 | 0 | 0 | 0 | 0 | 111.9 | D616 T617 V622 | D616-T620 PolarHBondContact O-N 3.32Å; D616-T620 PolarHBondContact O-OG1 3.49Å; D616-T620 VanDerWaalsContact O-OG1 3.08Å; T617-T620 PolarHBondContact O-N 3.19Å; T620-V622 VanDerWaalsContact C-N 3.34Å; T620-V622 PolarHBondContact O-N 3.15Å |
| 621 | V | 87 | Confident | 88.4 | Confident | 35 Ų | 35 | 54.8 Ų | 54.8 | 21% | 0.212 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -71.4 | -28.7 | -179.1 | 164 | 0 | 0 | 0 | 0 | 113.1 | I567 S571 T617 I618 L619 | I567-V621 HydrophobicContact CG2-CB 3.94Å; I567-V621 HydrophobicContact CG2-CG1 4.17Å; I567-V621 HydrophobicContact CG2-CG2 3.65Å; S571-V621 VanDerWaalsContact CB-CG1 3.48Å; T617-V621 WeakPolarHBondContact O-CB 3.25Å; T617-V621 WeakPolarHBondContact O-CG2 3.39Å; T617-V621 PolarHBondContact O-N 3.43Å; I618-V621 PolarHBondContact O-N 2.58Å; L619-V621 VanDerWaalsContact C-N 3.34Å; L619-V621 PolarHBondContact O-N 3.44Å |
| 622 | V | 86.9 | Confident | 88.5 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 12.9 | -179.8 | -55.5 | 0 | 0 | 0 | 0 | 113.6 | A575 A578 I618 L619 T620 D624 H625 I628 T629 L632 | A575-V622 HydrophobicContact CB-CG1 4.14Å; A578-V622 HydrophobicContact CB-CG1 3.92Å; I618-V622 WeakPolarHBondContact O-CG2 3.34Å; I618-V622 PolarHBondContact O-N 3Å; L619-V622 PolarHBondContact O-N 2.82Å; T620-V622 VanDerWaalsContact C-N 3.34Å; T620-V622 PolarHBondContact O-N 3.15Å; V622-D624 VanDerWaalsContact C-N 3.26Å; V622-D624 PolarHBondContact O-N 3.43Å; V622-H625 WeakPolarHBondContact O-CA 3.47Å; V622-H625 WeakPolarHBondContact O-CB 3.35Å; V622-H625 PolarHBondContact O-N 2.91Å; V622-I628 HydrophobicContact CB-CG2 4.19Å; V622-I628 HydrophobicContact CG1-CG2 4.34Å; V622-I628 HydrophobicContact CG2-CG2 4.16Å; V622-T629 PolarHBondContact O-OG1 3.25Å; V622-L632 HydrophobicContact CG2-CD1 3.52Å |
| 623 | E | 82.8 | Confident | 88.6 | Confident | 61 Ų | 61 | 55.3 Ų | 55.3 | 29% | 0.285 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -43.8 | -175.8 | -142 | -165.4 | 155.3 | 0 | 0 | 112 | L619 H625 C664 H665 | L619-E623 PolarHBondContact O-N 3.09Å; L619-E623 VanDerWaalsContact O-N 3.13Å; E623-H625 PolarHBondContact O-N 3.02Å; E623-C664 VanDerWaalsContact OE1-CB 3.27Å; E623-C664 WeakPolarHBondContact OE1-CB 3.23Å; E623-H665 VanDerWaalsContact CD-CE1 3.47Å; E623-H665 VanDerWaalsContact CG-NE2 3.29Å; E623-H665 WeakPolarHBondContact CG-NE2 3.23Å; E623-H665 PolarHBondContact O-CD2 3.25Å; E623-H665 PolarHBondContact O-NE2 3.44Å; E623-H665 IonicContact OE1-CD2 3.98Å; E623-H665 IonicContact OE1-CE1 3.01Å; E623-H665 PolarHBondContact OE1-CE1 2.98Å; E623-H665 IonicContact OE1-ND1 3.52Å; E623-H665 PolarHBondContact OE1-ND1 3.44Å; E623-H665 IonicContact OE1-NE2 2.78Å; E623-H665 PolarHBondContact OE1-NE2 3.11Å |
| 624 | D | 82.3 | Confident | 88.7 | Confident | 145 Ų | 145 | 54.2 Ų | 54.2 | 78% | 0.775 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -13.4 | 179.1 | -73.8 | -41.6 | 0 | 0 | 0 | 114.2 | V622 K626 | V622-D624 VanDerWaalsContact C-N 3.26Å; V622-D624 PolarHBondContact O-N 3.43Å; D624-K626 PolarHBondContact O-N 3Å |
| 625 | H | 85.4 | Confident | 89 | Confident | 88 Ų | 88 | 54.8 Ų | 54.8 | 41% | 0.407 | 27% | 0.273 | S | S | . | . | trans | -101.3 | 72.4 | -174.6 | -67.6 | -80.3 | 0 | 0 | 0 | 113.1 | V622 E623 E627 I628 T629 | V622-H625 WeakPolarHBondContact O-CA 3.47Å; V622-H625 WeakPolarHBondContact O-CB 3.35Å; V622-H625 PolarHBondContact O-N 2.91Å; E623-H625 PolarHBondContact O-N 3.02Å; H625-E627 VanDerWaalsContact C-N 3.3Å; H625-E627 PolarHBondContact O-N 3.28Å; H625-I628 HydrophobicContact CB-CB 4.06Å; H625-I628 HydrophobicContact CB-CD1 3.87Å; H625-I628 HydrophobicContact CB-CG1 4.26Å; H625-I628 WeakPolarHBondContact O-CA 3.47Å; H625-I628 WeakPolarHBondContact O-CB 3.38Å; H625-I628 PolarHBondContact O-N 3.45Å; H625-T629 PolarHBondContact O-N 3.44Å; H625-T629 PolarHBondContact O-OG1 3.43Å; H625-T629 VanDerWaalsContact O-OG1 3.13Å | ||
| 626 | K | 84 | Confident | 89.1 | Confident | 153 Ų | 153 | 54.8 Ų | 54.8 | 67% | 0.665 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -43.9 | -43.4 | -175.8 | -63.4 | -172.3 | 177 | -170.5 | 0 | 116.4 | D624 I628 Q630 | D624-K626 PolarHBondContact O-N 3Å; K626-I628 VanDerWaalsContact C-N 3.32Å; K626-I628 PolarHBondContact O-N 3.08Å; K626-Q630 PolarHBondContact O-N 3.34Å; K626-Q630 VanDerWaalsContact O-N 3.09Å |
| 627 | E | 86.1 | Confident | 89.2 | Confident | 159 Ų | 159 | 54.8 Ų | 54.8 | 74% | 0.743 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -67.5 | -31.7 | -179.9 | -67.5 | -176.7 | 179.7 | 0 | 0 | 113 | H625 Q631 | H625-E627 VanDerWaalsContact C-N 3.3Å; H625-E627 PolarHBondContact O-N 3.28Å; E627-Q631 WeakPolarHBondContact O-CG 3.45Å; E627-Q631 PolarHBondContact O-NE2 2.91Å |
| 628 | I | 88.7 | Confident | 89.3 | Confident | 32 Ų | 32 | 61.5 Ų | 61.5 | 16% | 0.164 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -77.3 | -48.2 | 176.7 | -66.1 | 169.8 | 0 | 0 | 0 | 108.8 | A575 A578 V579 V622 H625 K626 Q630 Q631 L632 | A575-I628 HydrophobicContact CB-CD1 4.32Å; A575-I628 VanDerWaalsContact O-CD1 3.31Å; A575-I628 WeakPolarHBondContact O-CD1 3.49Å; A578-I628 HydrophobicContact CB-CG2 4.15Å; V579-I628 HydrophobicContact CG2-CG2 4.21Å; V622-I628 HydrophobicContact CB-CG2 4.19Å; V622-I628 HydrophobicContact CG1-CG2 4.34Å; V622-I628 HydrophobicContact CG2-CG2 4.16Å; H625-I628 HydrophobicContact CB-CB 4.06Å; H625-I628 HydrophobicContact CB-CD1 3.87Å; H625-I628 HydrophobicContact CB-CG1 4.26Å; H625-I628 WeakPolarHBondContact O-CA 3.47Å; H625-I628 WeakPolarHBondContact O-CB 3.38Å; H625-I628 PolarHBondContact O-N 3.45Å; K626-I628 VanDerWaalsContact C-N 3.32Å; K626-I628 PolarHBondContact O-N 3.08Å; I628-Q630 PolarHBondContact O-N 3.01Å; I628-Q631 WeakPolarHBondContact O-CA 3.22Å; I628-Q631 WeakPolarHBondContact O-CB 3.23Å; I628-Q631 PolarHBondContact O-N 3.42Å; I628-L632 HydrophobicContact CG2-CD1 4.01Å; I628-L632 HydrophobicContact CG2-CG 4.17Å; I628-L632 WeakPolarHBondContact O-CG 3.43Å; I628-L632 PolarHBondContact O-N 2.84Å |
| 629 | T | 87.9 | Confident | 89.4 | Confident | 25 Ų | 25 | 61.8 Ų | 61.8 | 15% | 0.153 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -53.1 | -42.4 | 177.6 | -41.7 | 0 | 0 | 0 | 0 | 111.7 | V622 H625 Q631 L632 E633 L662 | V622-T629 PolarHBondContact O-OG1 3.25Å; H625-T629 PolarHBondContact O-N 3.44Å; H625-T629 PolarHBondContact O-OG1 3.43Å; H625-T629 VanDerWaalsContact O-OG1 3.13Å; T629-Q631 VanDerWaalsContact C-N 3.32Å; T629-Q631 PolarHBondContact O-N 2.9Å; T629-L632 PolarHBondContact O-N 2.66Å; T629-E633 PolarHBondContact O-N 3.39Å; T629-L662 HydrophobicContact CG2-CD2 4.28Å |
| 630 | Q | 87.4 | Confident | 89.6 | Confident | 133 Ų | 133 | 61.6 Ų | 61.6 | 62% | 0.621 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -64.3 | -32.7 | 177.1 | -170.6 | 176.3 | 16.7 | 0 | 0 | 113.5 | K626 I628 N634 | K626-Q630 PolarHBondContact O-N 3.34Å; K626-Q630 VanDerWaalsContact O-N 3.09Å; I628-Q630 PolarHBondContact O-N 3.01Å; Q630-N634 PolarHBondContact O-ND2 2.93Å; Q630-N634 VanDerWaalsContact O-ND2 3.13Å |
| 631 | Q | 90.7 | Very high | 89.7 | Confident | 102 Ų | 102 | 60.7 Ų | 60.7 | 48% | 0.477 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -73.1 | -40.8 | 174.6 | -70.1 | 174.8 | 53.5 | 0 | 0 | 111.1 | V579 E627 I628 T629 E633 N634 | V579-Q631 HydrophobicContact CG1-CB 4.44Å; V579-Q631 HydrophobicContact CG2-CB 3.95Å; E627-Q631 WeakPolarHBondContact O-CG 3.45Å; E627-Q631 PolarHBondContact O-NE2 2.91Å; I628-Q631 WeakPolarHBondContact O-CA 3.22Å; I628-Q631 WeakPolarHBondContact O-CB 3.23Å; I628-Q631 PolarHBondContact O-N 3.42Å; T629-Q631 VanDerWaalsContact C-N 3.32Å; T629-Q631 PolarHBondContact O-N 2.9Å; Q631-E633 VanDerWaalsContact C-N 3.34Å; Q631-N634 PolarHBondContact O-N 3.04Å |
| 632 | L | 93.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.9 | -35.3 | 177.4 | -62.4 | -175.8 | 0 | 0 | 0 | 112.5 | A578 V579 T582 I618 L619 V622 I628 T629 N634 I635 C636 | A578-L632 HydrophobicContact CB-CD1 4.46Å; V579-L632 HydrophobicContact CB-CD2 4.35Å; V579-L632 HydrophobicContact CG2-CD2 4.03Å; T582-L632 HydrophobicContact CG2-CD2 4.05Å; T582-L632 WeakPolarHBondContact OG1-CD2 3.27Å; I618-L632 HydrophobicContact CG2-CD1 4.03Å; L619-L632 HydrophobicContact CD2-CB 3.81Å; L619-L632 HydrophobicContact CD2-CD1 3.84Å; L619-L632 HydrophobicContact CD2-CG 4.49Å; V622-L632 HydrophobicContact CG2-CD1 3.52Å; I628-L632 HydrophobicContact CG2-CD1 4.01Å; I628-L632 HydrophobicContact CG2-CG 4.17Å; I628-L632 WeakPolarHBondContact O-CG 3.43Å; I628-L632 PolarHBondContact O-N 2.84Å; T629-L632 PolarHBondContact O-N 2.66Å; L632-N634 VanDerWaalsContact C-N 3.27Å; L632-N634 PolarHBondContact O-N 2.68Å; L632-I635 HydrophobicContact CD2-CD1 4.35Å; L632-I635 WeakPolarHBondContact O-CB 3.39Å; L632-I635 PolarHBondContact O-N 3.16Å; L632-C636 PolarHBondContact O-N 2.78Å; L632-C636 PolarHBondContact O-SG 2.95Å |
| 633 | E | 93.9 | Very high | 90 | Very high | 13 Ų | 13 | 60.8 Ų | 60.8 | 6% | 0.061 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -52.1 | -45.5 | 176.6 | -170 | -172.3 | 127.9 | 0 | 0 | 111.5 | T629 Q631 I635 C636 L637 L662 S668 Q670 M671 | T629-E633 PolarHBondContact O-N 3.39Å; Q631-E633 VanDerWaalsContact C-N 3.34Å; E633-I635 VanDerWaalsContact C-N 3.27Å; E633-I635 PolarHBondContact O-N 2.76Å; E633-C636 PolarHBondContact O-N 3.44Å; E633-L637 HydrophobicContact CG-CD1 4.01Å; E633-L637 HydrophobicContact CG-CG 4.36Å; E633-L637 WeakPolarHBondContact O-CB 3.27Å; E633-L637 VanDerWaalsContact O-CG 3.29Å; E633-L637 WeakPolarHBondContact O-CG 3.39Å; E633-L637 PolarHBondContact O-N 3.49Å; E633-L662 HydrophobicContact CB-CD2 3.97Å; E633-L662 HydrophobicContact CG-CD1 4.28Å; E633-L662 HydrophobicContact CG-CD2 4.26Å; E633-S668 WeakPolarHBondContact OE1-CB 3.19Å; E633-S668 PolarHBondContact OE1-OG 2.93Å; E633-S668 WeakPolarHBondContact OE2-CB 3.33Å; E633-Q670 PolarHBondContact OE1-OE1 3.49Å; E633-M671 HydrophobicContact CG-CG 4.35Å; E633-M671 HydrophobicContact CG-SD 4.24Å |
| 634 | N | 91.8 | Very high | 90.3 | Very high | 75 Ų | 75 | 58.4 Ų | 58.4 | 40% | 0.401 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.3 | -29.8 | 179.4 | -71.5 | -70.1 | 0 | 0 | 0 | 113.1 | Q630 Q631 L632 R638 Q670 | Q630-N634 PolarHBondContact O-ND2 2.93Å; Q630-N634 VanDerWaalsContact O-ND2 3.13Å; Q631-N634 PolarHBondContact O-N 3.04Å; L632-N634 VanDerWaalsContact C-N 3.27Å; L632-N634 PolarHBondContact O-N 2.68Å; N634-R638 WeakPolarHBondContact O-CG 3.42Å; N634-Q670 PolarHBondContact OD1-NE2 3.43Å |
| 635 | I | 95.2 | Very high | 90.4 | Very high | 12 Ų | 12 | 58.4 Ų | 58.4 | 6% | 0.062 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -76.4 | -47.8 | 177.4 | -56.2 | 171.8 | 0 | 0 | 0 | 109.2 | V579 T582 Q583 A586 L632 E633 L637 R638 I639 | V579-I635 HydrophobicContact CG1-CD1 4.22Å; T582-I635 HydrophobicContact CG2-CB 4.26Å; T582-I635 HydrophobicContact CG2-CD1 4.35Å; T582-I635 HydrophobicContact CG2-CG2 3.93Å; Q583-I635 HydrophobicContact CB-CD1 4.11Å; A586-I635 HydrophobicContact CB-CG2 3.59Å; L632-I635 HydrophobicContact CD2-CD1 4.35Å; L632-I635 WeakPolarHBondContact O-CB 3.39Å; L632-I635 PolarHBondContact O-N 3.16Å; E633-I635 VanDerWaalsContact C-N 3.27Å; E633-I635 PolarHBondContact O-N 2.76Å; I635-L637 PolarHBondContact O-N 3.43Å; I635-R638 WeakPolarHBondContact O-CB 3.33Å; I635-R638 PolarHBondContact O-N 2.9Å; I635-I639 PolarHBondContact O-N 2.91Å |
| 636 | C | 95.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.6 | -41.8 | -179.7 | -60.6 | 0 | 0 | 0 | 0 | 111.8 | L632 E633 R638 I639 I640 L662 | L632-C636 PolarHBondContact O-N 2.78Å; L632-C636 PolarHBondContact O-SG 2.95Å; E633-C636 PolarHBondContact O-N 3.44Å; C636-R638 PolarHBondContact O-N 3.44Å; C636-I639 WeakPolarHBondContact O-CA 3.36Å; C636-I639 VanDerWaalsContact O-CB 3.31Å; C636-I639 WeakPolarHBondContact O-CB 3.42Å; C636-I639 PolarHBondContact O-N 3.49Å; C636-I640 VanDerWaalsContact O-CG1 3.3Å; C636-I640 WeakPolarHBondContact O-CG1 3.4Å; C636-I640 PolarHBondContact O-N 3.37Å; C636-L662 HydrophobicContact CB-CD1 3.66Å |
| 637 | L | 93.7 | Very high | 90.3 | Very high | 18 Ų | 18 | 56.7 Ų | 56.7 | 9% | 0.094 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.3 | -36.2 | 175.1 | -78 | 172.5 | 0 | 0 | 0 | 112.5 | E633 I635 I639 I640 D641 Q670 M671 L674 | E633-L637 HydrophobicContact CG-CD1 4.01Å; E633-L637 HydrophobicContact CG-CG 4.36Å; E633-L637 WeakPolarHBondContact O-CB 3.27Å; E633-L637 VanDerWaalsContact O-CG 3.29Å; E633-L637 WeakPolarHBondContact O-CG 3.39Å; E633-L637 PolarHBondContact O-N 3.49Å; I635-L637 PolarHBondContact O-N 3.43Å; L637-I639 VanDerWaalsContact C-N 3.32Å; L637-I639 PolarHBondContact O-N 3.02Å; L637-I640 PolarHBondContact O-N 3.31Å; L637-D641 VanDerWaalsContact O-CB 3.28Å; L637-D641 WeakPolarHBondContact O-CB 3.23Å; L637-D641 VanDerWaalsContact O-CG 3.25Å; L637-D641 PolarHBondContact O-N 2.93Å; L637-Q670 HydrophobicContact CD1-CB 3.64Å; L637-Q670 HydrophobicContact CD1-CG 4.43Å; L637-M671 HydrophobicContact CD2-SD 3.76Å; L637-M671 HydrophobicContact CG-SD 4.28Å; L637-L674 HydrophobicContact CD2-CD2 4.4Å |
| 638 | R | 93 | Very high | 90.2 | Very high | 157 Ų | 157 | 50 Ų | 50 | 59% | 0.592 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -66.5 | -34.2 | 175 | -69.8 | 170.7 | 57.4 | -164.1 | -5.5 | 112.6 | N634 I635 C636 L642 | N634-R638 WeakPolarHBondContact O-CG 3.42Å; I635-R638 WeakPolarHBondContact O-CB 3.33Å; I635-R638 PolarHBondContact O-N 2.9Å; C636-R638 PolarHBondContact O-N 3.44Å; R638-L642 WeakPolarHBondContact O-CB 3.41Å; R638-L642 PolarHBondContact O-N 2.66Å; R638-L642 VanDerWaalsContact O-N 3.11Å |
| 639 | I | 93.7 | Very high | 89.9 | Confident | 5 Ų | 5 | 52.6 Ų | 52.6 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.9 | -50.9 | 176 | -64.4 | 175.4 | 0 | 0 | 0 | 109.3 | A586 F589 L612 I615 I635 C636 L637 D641 L642 V643 | A586-I639 HydrophobicContact CB-CD1 3.72Å; A586-I639 HydrophobicContact CB-CG1 4.01Å; F589-I639 HydrophobicContact CD1-CG2 3.83Å; F589-I639 HydrophobicContact CE1-CG2 3.53Å; F589-I639 HydrophobicContact CZ-CG2 4.25Å; L612-I639 HydrophobicContact CD2-CG2 3.52Å; I615-I639 HydrophobicContact CD1-CD1 3.47Å; I615-I639 VanDerWaalsContact CD1-CD1 3.47Å; I635-I639 PolarHBondContact O-N 2.91Å; C636-I639 WeakPolarHBondContact O-CA 3.36Å; C636-I639 VanDerWaalsContact O-CB 3.31Å; C636-I639 WeakPolarHBondContact O-CB 3.42Å; C636-I639 PolarHBondContact O-N 3.49Å; L637-I639 VanDerWaalsContact C-N 3.32Å; L637-I639 PolarHBondContact O-N 3.02Å; I639-D641 VanDerWaalsContact C-N 3.34Å; I639-D641 PolarHBondContact O-N 3.2Å; I639-L642 WeakPolarHBondContact O-CB 3.48Å; I639-L642 PolarHBondContact O-N 2.79Å; I639-L642 VanDerWaalsContact O-N 3.1Å; I639-V643 PolarHBondContact O-N 3.39Å |
| 640 | I | 93.6 | Very high | 89.8 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55.7 | -49.9 | 177.6 | -61.9 | 168.6 | 0 | 0 | 0 | 109.8 | C636 L637 L642 V643 L644 I655 A659 L674 | C636-I640 VanDerWaalsContact O-CG1 3.3Å; C636-I640 WeakPolarHBondContact O-CG1 3.4Å; C636-I640 PolarHBondContact O-N 3.37Å; L637-I640 PolarHBondContact O-N 3.31Å; I640-L642 VanDerWaalsContact C-N 3.31Å; I640-L642 PolarHBondContact O-N 2.92Å; I640-V643 PolarHBondContact O-N 3.37Å; I640-L644 HydrophobicContact CG2-CD1 3.81Å; I640-L644 HydrophobicContact CG2-CG 4.31Å; I640-L644 WeakPolarHBondContact O-CB 3.38Å; I640-L644 VanDerWaalsContact O-CG 3.31Å; I640-L644 WeakPolarHBondContact O-CG 3.18Å; I640-L644 PolarHBondContact O-N 3.21Å; I640-I655 HydrophobicContact CG1-CB 4.04Å; I640-I655 HydrophobicContact CG1-CG2 4.38Å; I640-I655 HydrophobicContact CG2-CB 4.49Å; I640-I655 HydrophobicContact CG2-CD1 4.35Å; I640-A659 HydrophobicContact CD1-CB 4.16Å; I640-L674 HydrophobicContact CD1-CD2 4.26Å; I640-L674 HydrophobicContact CG2-CD1 3.73Å; I640-L674 HydrophobicContact CG2-CD2 4.41Å |
| 641 | D | 90.8 | Very high | 89.9 | Confident | 59 Ų | 59 | 50 Ų | 50 | 32% | 0.316 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58.7 | -40.4 | 177.4 | -79.3 | -18.3 | 0 | 0 | 0 | 112.3 | L637 I639 Q645 | L637-D641 VanDerWaalsContact O-CB 3.28Å; L637-D641 WeakPolarHBondContact O-CB 3.23Å; L637-D641 VanDerWaalsContact O-CG 3.25Å; L637-D641 PolarHBondContact O-N 2.93Å; I639-D641 VanDerWaalsContact C-N 3.34Å; I639-D641 PolarHBondContact O-N 3.2Å; D641-Q645 VanDerWaalsContact O-CB 3.22Å; D641-Q645 WeakPolarHBondContact O-CB 3.02Å; D641-Q645 WeakPolarHBondContact O-CG 3.41Å; D641-Q645 PolarHBondContact O-N 3.46Å |
| 642 | L | 89.9 | Confident | 89.9 | Confident | 38 Ų | 38 | 45.4 Ų | 45.4 | 20% | 0.199 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.5 | -45.3 | 179.5 | 179.4 | 65.5 | 0 | 0 | 0 | 111.8 | L593 R638 I639 I640 K646 | L593-L642 HydrophobicContact CD1-CD2 4Å; L593-L642 HydrophobicContact CD1-CG 4.43Å; R638-L642 WeakPolarHBondContact O-CB 3.41Å; R638-L642 PolarHBondContact O-N 2.66Å; R638-L642 VanDerWaalsContact O-N 3.11Å; I639-L642 WeakPolarHBondContact O-CB 3.48Å; I639-L642 PolarHBondContact O-N 2.79Å; I639-L642 VanDerWaalsContact O-N 3.1Å; I640-L642 VanDerWaalsContact C-N 3.31Å; I640-L642 PolarHBondContact O-N 2.92Å; L642-K646 HydrophobicContact CD1-CD 4.25Å; L642-K646 HydrophobicContact CD1-CG 4.49Å; L642-K646 WeakPolarHBondContact O-CB 3.29Å; L642-K646 PolarHBondContact O-N 2.91Å; L642-K646 VanDerWaalsContact O-N 3.14Å |
| 643 | V | 90.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.1 | -47 | 179.1 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | F589 L593 I639 I640 K646 H647 V648 F651 Y652 I655 | F589-V643 HydrophobicContact CE1-CG2 3.82Å; F589-V643 HydrophobicContact CZ-CG2 3.69Å; L593-V643 HydrophobicContact CD1-CG2 4.41Å; I639-V643 PolarHBondContact O-N 3.39Å; I640-V643 PolarHBondContact O-N 3.37Å; V643-K646 PolarHBondContact O-N 3.27Å; V643-H647 PolarHBondContact O-N 3.44Å; V643-H647 VanDerWaalsContact O-N 3.08Å; V643-V648 HydrophobicContact CG1-CB 4.49Å; V643-V648 WeakPolarHBondContact CG1-O 3.12Å; V643-V648 PolarHBondContact O-N 3.2Å; V643-F651 HydrophobicContact CG1-CB 3.87Å; V643-F651 HydrophobicContact CG2-CB 4.21Å; V643-F651 HydrophobicContact CG2-CD2 4.41Å; V643-Y652 HydrophobicContact CG1-CD1 3.95Å; V643-Y652 HydrophobicContact CG1-CE1 3.96Å; V643-I655 HydrophobicContact CB-CD1 4.23Å; V643-I655 HydrophobicContact CB-CG2 3.97Å; V643-I655 HydrophobicContact CG1-CD1 3.83Å; V643-I655 HydrophobicContact CG1-CG2 4.09Å; V643-I655 HydrophobicContact CG2-CG2 3.84Å |
| 644 | L | 88.3 | Confident | 89.7 | Confident | 10 Ų | 10 | 52.1 Ų | 52.1 | 5% | 0.052 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.6 | -40.9 | 179.7 | -66.2 | -179 | 0 | 0 | 0 | 112.1 | I640 K646 H647 Y652 I655 L674 I677 L678 V681 | I640-L644 HydrophobicContact CG2-CD1 3.81Å; I640-L644 HydrophobicContact CG2-CG 4.31Å; I640-L644 WeakPolarHBondContact O-CB 3.38Å; I640-L644 VanDerWaalsContact O-CG 3.31Å; I640-L644 WeakPolarHBondContact O-CG 3.18Å; I640-L644 PolarHBondContact O-N 3.21Å; L644-K646 PolarHBondContact O-N 3.39Å; L644-H647 PolarHBondContact O-N 2.92Å; L644-Y652 HydrophobicContact CD2-CE1 4.08Å; L644-I655 HydrophobicContact CD2-CD1 3.5Å; L644-I655 HydrophobicContact CG-CD1 3.8Å; L644-L674 HydrophobicContact CD1-CD1 4.23Å; L644-I677 HydrophobicContact CD1-CG2 3.83Å; L644-L678 HydrophobicContact CD1-CD2 4.26Å; L644-V681 HydrophobicContact CD2-CG1 4.31Å; L644-V681 HydrophobicContact CD2-CG2 4.16Å |
| 645 | Q | 85.7 | Confident | 89.8 | Confident | 145 Ų | 145 | 48.7 Ų | 48.7 | 68% | 0.678 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -67.3 | -34.5 | 178.1 | -77 | 175.4 | 15.7 | 0 | 0 | 113.5 | D641 H647 | D641-Q645 VanDerWaalsContact O-CB 3.22Å; D641-Q645 WeakPolarHBondContact O-CB 3.02Å; D641-Q645 WeakPolarHBondContact O-CG 3.41Å; D641-Q645 PolarHBondContact O-N 3.46Å; Q645-H647 VanDerWaalsContact C-N 3.33Å |
| 646 | K | 84 | Confident | 89.8 | Confident | 95 Ų | 95 | 48.4 Ų | 48.4 | 41% | 0.413 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -84.6 | -7.7 | 177.8 | -75.5 | -168.3 | 167.5 | -156.5 | 0 | 113.4 | L593 L642 V643 L644 V648 | L593-K646 HydrophobicContact CD2-CD 4.38Å; L593-K646 PolarHBondContact O-NZ 3.26Å; L642-K646 HydrophobicContact CD1-CD 4.25Å; L642-K646 HydrophobicContact CD1-CG 4.49Å; L642-K646 WeakPolarHBondContact O-CB 3.29Å; L642-K646 PolarHBondContact O-N 2.91Å; L642-K646 VanDerWaalsContact O-N 3.14Å; V643-K646 PolarHBondContact O-N 3.27Å; L644-K646 PolarHBondContact O-N 3.39Å; K646-V648 VanDerWaalsContact C-N 3.3Å; K646-V648 HydrophobicContact CB-CG2 3.66Å; K646-V648 PolarHBondContact O-N 3.05Å |
| 647 | H | 83 | Confident | 89.7 | Confident | 110 Ų | 110 | 50.5 Ų | 50.5 | 51% | 0.509 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 42.5 | -174.7 | -59.9 | -78 | 0 | 0 | 0 | 113.1 | V643 L644 Q645 I649 | V643-H647 PolarHBondContact O-N 3.44Å; V643-H647 VanDerWaalsContact O-N 3.08Å; L644-H647 PolarHBondContact O-N 2.92Å; Q645-H647 VanDerWaalsContact C-N 3.33Å; H647-I649 PolarHBondContact O-N 2.88Å |
| 648 | V | 84.3 | Confident | 89.7 | Confident | 18 Ų | 18 | 49.6 Ų | 49.6 | 11% | 0.109 | 24% | 0.235 | C | C | . | . | trans | -86.3 | 90.2 | 177.6 | -170.2 | 0 | 0 | 0 | 0 | 109.1 | L593 Y598 V643 K646 E650 F651 Y652 | L593-V648 HydrophobicContact CD2-CB 4.36Å; L593-V648 HydrophobicContact CD2-CG1 4.35Å; L593-V648 HydrophobicContact CD2-CG2 3.71Å; Y598-V648 HydrophobicContact CE1-CG1 3.9Å; Y598-V648 WeakPolarHBondContact OH-CG1 3.3Å; V643-V648 HydrophobicContact CG1-CB 4.49Å; V643-V648 WeakPolarHBondContact CG1-O 3.12Å; V643-V648 PolarHBondContact O-N 3.2Å; K646-V648 VanDerWaalsContact C-N 3.3Å; K646-V648 HydrophobicContact CB-CG2 3.66Å; K646-V648 PolarHBondContact O-N 3.05Å; V648-E650 HydrophobicContact CG1-CB 4.47Å; V648-E650 PolarHBondContact O-N 3.42Å; V648-F651 HydrophobicContact CB-CD2 4.09Å; V648-F651 HydrophobicContact CG1-CD2 3.47Å; V648-F651 VanDerWaalsContact CG1-CD2 3.47Å; V648-F651 HydrophobicContact CG1-CE2 3.64Å; V648-F651 HydrophobicContact CG1-CG 4.45Å; V648-F651 PolarHBondContact O-N 3.23Å; V648-Y652 VanDerWaalsContact O-CD1 3.24Å; V648-Y652 WeakPolarHBondContact O-CD1 3.28Å; V648-Y652 VanDerWaalsContact O-CE1 3.3Å; V648-Y652 WeakPolarHBondContact O-CE1 3.28Å | ||
| 649 | I | 82.8 | Confident | 89.8 | Confident | 87 Ų | 87 | 42.2 Ų | 42.2 | 45% | 0.446 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -61.8 | -32.4 | -171.8 | -61.5 | 173.7 | 0 | 0 | 0 | 112.1 | H647 F651 Y652 Y689 | H647-I649 PolarHBondContact O-N 2.88Å; I649-F651 PolarHBondContact O-N 3.33Å; I649-Y652 WeakPolarHBondContact O-CB 3.36Å; I649-Y652 PolarHBondContact O-N 3.04Å; I649-Y652 VanDerWaalsContact O-N 3.1Å; I649-Y689 HydrophobicContact CG2-CE2 3.68Å; I649-Y689 WeakPolarHBondContact CG2-OH 3.19Å |
| 650 | E | 85.4 | Confident | 89.8 | Confident | 104 Ų | 104 | 46.3 Ų | 46.3 | 49% | 0.486 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -56.5 | -22.5 | -179.8 | -65.5 | 168.9 | 178.3 | 0 | 0 | 114 | Y598 T605 M609 V648 | Y598-E650 PolarHBondContact OH-OE2 3.11Å; T605-E650 HydrophobicContact CG2-CB 4.33Å; T605-E650 PolarHBondContact OG1-OE2 2.99Å; M609-E650 VanDerWaalsContact CE-O 3.26Å; M609-E650 WeakPolarHBondContact CE-O 3.47Å; V648-E650 HydrophobicContact CG1-CB 4.47Å; V648-E650 PolarHBondContact O-N 3.42Å |
| 651 | F | 89.8 | Confident | 89.7 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -106.1 | 11.4 | -178 | -58.1 | -50.6 | 0 | 0 | 0 | 114.2 | F589 L593 Y598 T605 A608 M609 L612 V643 V648 I649 E654 I655 | F589-F651 HydrophobicContact CE2-CD2 4.34Å; F589-F651 HydrophobicContact CE2-CE2 4.31Å; F589-F651 HydrophobicContact CE2-CG 4.5Å; F589-F651 HydrophobicContact CE2-CZ 4.47Å; F589-F651 HydrophobicContact CZ-CD2 4.1Å; F589-F651 HydrophobicContact CZ-CE2 4.39Å; F589-F651 HydrophobicContact CZ-CG 4.4Å; L593-F651 HydrophobicContact CD1-CE2 4.45Å; L593-F651 HydrophobicContact CD2-CD2 4.44Å; L593-F651 HydrophobicContact CD2-CE2 4.02Å; L593-F651 HydrophobicContact CG-CE2 4.23Å; Y598-F651 AromaticContact CE2-CE2 3.96Å; Y598-F651 HydrophobicContact CE2-CE2 3.96Å; Y598-F651 AromaticContact CE2-CZ 3.94Å; Y598-F651 HydrophobicContact CE2-CZ 3.94Å; Y598-F651 AromaticContact CZ-CE2 3.73Å; Y598-F651 AromaticContact CZ-CZ 3.9Å; Y598-F651 WeakPolarHBondContact OH-CE2 3.22Å; Y598-F651 WeakPolarHBondContact OH-CZ 3.27Å; T605-F651 HydrophobicContact CG2-CE1 3.98Å; T605-F651 HydrophobicContact CG2-CZ 4.21Å; A608-F651 HydrophobicContact CB-CE1 3.6Å; A608-F651 HydrophobicContact CB-CE2 4.37Å; A608-F651 HydrophobicContact CB-CZ 3.42Å; A608-F651 VanDerWaalsContact CB-CZ 3.42Å; M609-F651 HydrophobicContact CG-CD1 4.05Å; M609-F651 HydrophobicContact CG-CE1 3.9Å; L612-F651 HydrophobicContact CD1-CB 4.14Å; L612-F651 HydrophobicContact CD1-CD1 4.16Å; L612-F651 HydrophobicContact CD1-CG 4.27Å; V643-F651 HydrophobicContact CG1-CB 3.87Å; V643-F651 HydrophobicContact CG2-CB 4.21Å; V643-F651 HydrophobicContact CG2-CD2 4.41Å; V648-F651 HydrophobicContact CB-CD2 4.09Å; V648-F651 HydrophobicContact CG1-CD2 3.47Å; V648-F651 VanDerWaalsContact CG1-CD2 3.47Å; V648-F651 HydrophobicContact CG1-CE2 3.64Å; V648-F651 HydrophobicContact CG1-CG 4.45Å; V648-F651 PolarHBondContact O-N 3.23Å; I649-F651 PolarHBondContact O-N 3.33Å; F651-E654 WeakPolarHBondContact CA-OE2 3.48Å; F651-I655 WeakPolarHBondContact O-CG1 3.45Å; F651-I655 WeakPolarHBondContact O-CG2 3.47Å; F651-I655 PolarHBondContact O-N 2.91Å; F651-I655 VanDerWaalsContact O-N 3.12Å |
| 652 | Y | 90 | Very high | 89.8 | Confident | 5 Ų | 5 | 44.6 Ų | 44.6 | 2% | 0.02 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.2 | -39.5 | -172.1 | -85.6 | 26 | 0 | 0 | 0 | 112.1 | V643 L644 V648 I649 I655 L656 V681 C686 Y689 | V643-Y652 HydrophobicContact CG1-CD1 3.95Å; V643-Y652 HydrophobicContact CG1-CE1 3.96Å; L644-Y652 HydrophobicContact CD2-CE1 4.08Å; V648-Y652 VanDerWaalsContact O-CD1 3.24Å; V648-Y652 WeakPolarHBondContact O-CD1 3.28Å; V648-Y652 VanDerWaalsContact O-CE1 3.3Å; V648-Y652 WeakPolarHBondContact O-CE1 3.28Å; I649-Y652 WeakPolarHBondContact O-CB 3.36Å; I649-Y652 PolarHBondContact O-N 3.04Å; I649-Y652 VanDerWaalsContact O-N 3.1Å; Y652-I655 HydrophobicContact CD1-CD1 4.21Å; Y652-I655 WeakPolarHBondContact O-CG1 3.38Å; Y652-L656 WeakPolarHBondContact O-CB 3.47Å; Y652-L656 WeakPolarHBondContact O-CD1 3.4Å; Y652-L656 WeakPolarHBondContact O-CG 3.5Å; Y652-L656 PolarHBondContact O-N 3.49Å; Y652-L656 VanDerWaalsContact O-N 3.11Å; Y652-V681 HydrophobicContact CE2-CG1 3.76Å; Y652-C686 HydrophobicContact CE2-CB 4.22Å; Y652-C686 VanDerWaalsContact CE2-SG 3.57Å; Y652-Y689 HydrophobicContact CD2-CD2 4.34Å |
| 653 | E | 91.1 | Very high | 89.9 | Confident | 118 Ų | 118 | 42.8 Ų | 42.8 | 55% | 0.551 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -61.7 | -45.9 | 177.1 | -169.6 | 180 | 157.3 | 0 | 0 | 111.1 | L656 S657 | E653-L656 PolarHBondContact O-N 3.33Å; E653-S657 PolarHBondContact O-N 2.76Å |
| 654 | E | 92.6 | Very high | 89.8 | Confident | 36 Ų | 36 | 44 Ų | 44 | 17% | 0.168 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.6 | -42.3 | -177.5 | -64.1 | 78.8 | 179.8 | 0 | 0 | 112 | M609 L612 F651 L656 S657 L658 | M609-E654 WeakPolarHBondContact CG-OE1 3.07Å; L612-E654 HydrophobicContact CB-CB 3.87Å; L612-E654 HydrophobicContact CB-CG 4.22Å; L612-E654 HydrophobicContact CD1-CB 3.48Å; L612-E654 VanDerWaalsContact CD1-CB 3.48Å; L612-E654 HydrophobicContact CD1-CG 4.09Å; L612-E654 HydrophobicContact CG-CB 4.32Å; F651-E654 WeakPolarHBondContact CA-OE2 3.48Å; E654-L656 VanDerWaalsContact C-N 3.27Å; E654-L656 PolarHBondContact O-N 3.1Å; E654-S657 PolarHBondContact O-N 3.02Å; E654-L658 WeakPolarHBondContact O-CG 3.43Å; E654-L658 PolarHBondContact O-N 3.48Å |
| 655 | I | 93.9 | Very high | 89.6 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.015 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.8 | -30 | 176.7 | 65.2 | 169.5 | 0 | 0 | 0 | 112.1 | I640 V643 L644 F651 Y652 A659 | I640-I655 HydrophobicContact CG1-CB 4.04Å; I640-I655 HydrophobicContact CG1-CG2 4.38Å; I640-I655 HydrophobicContact CG2-CB 4.49Å; I640-I655 HydrophobicContact CG2-CD1 4.35Å; V643-I655 HydrophobicContact CB-CD1 4.23Å; V643-I655 HydrophobicContact CB-CG2 3.97Å; V643-I655 HydrophobicContact CG1-CD1 3.83Å; V643-I655 HydrophobicContact CG1-CG2 4.09Å; V643-I655 HydrophobicContact CG2-CG2 3.84Å; L644-I655 HydrophobicContact CD2-CD1 3.5Å; L644-I655 HydrophobicContact CG-CD1 3.8Å; F651-I655 WeakPolarHBondContact O-CG1 3.45Å; F651-I655 WeakPolarHBondContact O-CG2 3.47Å; F651-I655 PolarHBondContact O-N 2.91Å; F651-I655 VanDerWaalsContact O-N 3.12Å; Y652-I655 HydrophobicContact CD1-CD1 4.21Å; Y652-I655 WeakPolarHBondContact O-CG1 3.38Å; I655-A659 WeakPolarHBondContact O-CB 3.4Å; I655-A659 PolarHBondContact O-N 3.24Å |
| 656 | L | 93.9 | Very high | 89.8 | Confident | 7 Ų | 7 | 44.5 Ų | 44.5 | 4% | 0.037 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -71.5 | -39.3 | 174.4 | -71 | 169.9 | 0 | 0 | 0 | 110.7 | Y652 E653 E654 A659 Y660 L678 D692 M693 L696 | Y652-L656 WeakPolarHBondContact O-CB 3.47Å; Y652-L656 WeakPolarHBondContact O-CD1 3.4Å; Y652-L656 WeakPolarHBondContact O-CG 3.5Å; Y652-L656 PolarHBondContact O-N 3.49Å; Y652-L656 VanDerWaalsContact O-N 3.11Å; E653-L656 PolarHBondContact O-N 3.33Å; E654-L656 VanDerWaalsContact C-N 3.27Å; E654-L656 PolarHBondContact O-N 3.1Å; L656-A659 PolarHBondContact O-N 3.42Å; L656-Y660 WeakPolarHBondContact O-CB 3.18Å; L656-Y660 PolarHBondContact O-N 2.96Å; L656-L678 HydrophobicContact CD2-CD1 4.16Å; L656-L678 HydrophobicContact CD2-CD2 3.98Å; L656-D692 HydrophobicContact CD1-CB 3.88Å; L656-M693 HydrophobicContact CD1-CB 4.48Å; L656-M693 HydrophobicContact CD1-CE 4.46Å; L656-M693 HydrophobicContact CD1-CG 3.58Å; L656-M693 HydrophobicContact CD2-CG 3.8Å; L656-M693 HydrophobicContact CG-CG 4.37Å; L656-L696 HydrophobicContact CD2-CD2 4.07Å |
| 657 | S | 93.9 | Very high | 90.2 | Very high | 43 Ų | 43 | 40.8 Ų | 40.8 | 30% | 0.301 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.1 | -47.2 | 171.5 | -165.7 | 0 | 0 | 0 | 0 | 111.7 | D616 E653 E654 A659 Y660 S661 | D616-S657 PolarHBondContact OD2-OG 3.25Å; E653-S657 PolarHBondContact O-N 2.76Å; E654-S657 PolarHBondContact O-N 3.02Å; S657-A659 VanDerWaalsContact C-N 3.32Å; S657-A659 PolarHBondContact O-N 3.45Å; S657-Y660 WeakPolarHBondContact O-CA 3.47Å; S657-Y660 WeakPolarHBondContact O-CB 3.42Å; S657-Y660 PolarHBondContact O-N 3.01Å; S657-Y660 VanDerWaalsContact O-N 3.11Å; S657-S661 PolarHBondContact O-N 3.5Å; S657-S661 PolarHBondContact O-OG 2.86Å |
| 658 | L | 94.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.2 | -44.1 | 175.9 | -69.9 | 178.1 | 0 | 0 | 0 | 112.1 | L612 I615 D616 L619 E654 Y660 S661 L662 | L612-L658 HydrophobicContact CD2-CD1 4.03Å; I615-L658 HydrophobicContact CB-CD2 4.14Å; I615-L658 HydrophobicContact CG2-CD2 3.75Å; D616-L658 HydrophobicContact CB-CD2 3.74Å; L619-L658 HydrophobicContact CD1-CD2 3.72Å; E654-L658 WeakPolarHBondContact O-CG 3.43Å; E654-L658 PolarHBondContact O-N 3.48Å; L658-Y660 VanDerWaalsContact C-N 3.35Å; L658-S661 PolarHBondContact O-N 3.35Å; L658-L662 WeakPolarHBondContact O-CD1 3.36Å; L658-L662 VanDerWaalsContact O-CG 3.27Å; L658-L662 WeakPolarHBondContact O-CG 3.37Å; L658-L662 PolarHBondContact O-N 3.44Å; L658-L662 VanDerWaalsContact O-N 3.11Å |
| 659 | A | 94.4 | Very high | 91 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.008 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.1 | -37.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | I640 I655 L656 S657 L662 T663 M671 L674 L696 | I640-A659 HydrophobicContact CD1-CB 4.16Å; I655-A659 WeakPolarHBondContact O-CB 3.4Å; I655-A659 PolarHBondContact O-N 3.24Å; L656-A659 PolarHBondContact O-N 3.42Å; S657-A659 VanDerWaalsContact C-N 3.32Å; S657-A659 PolarHBondContact O-N 3.45Å; A659-L662 PolarHBondContact O-N 3.4Å; A659-T663 WeakPolarHBondContact O-CG2 3.24Å; A659-T663 PolarHBondContact O-N 3.21Å; A659-T663 PolarHBondContact O-OG1 2.84Å; A659-M671 HydrophobicContact CB-CE 3.91Å; A659-L674 HydrophobicContact CB-CD2 3.82Å; A659-L696 HydrophobicContact CB-CD1 4.06Å; A659-L696 HydrophobicContact CB-CD2 3.64Å; A659-L696 HydrophobicContact CB-CG 4.45Å |
| 660 | Y | 93.2 | Very high | 91.4 | Very high | 91 Ų | 91 | 40.2 Ų | 40.2 | 36% | 0.357 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.8 | -53.2 | 173.1 | 165.2 | -100.2 | 0 | 0 | 0 | 110.7 | L656 S657 L658 L662 T663 C664 P695 N699 | L656-Y660 WeakPolarHBondContact O-CB 3.18Å; L656-Y660 PolarHBondContact O-N 2.96Å; S657-Y660 WeakPolarHBondContact O-CA 3.47Å; S657-Y660 WeakPolarHBondContact O-CB 3.42Å; S657-Y660 PolarHBondContact O-N 3.01Å; S657-Y660 VanDerWaalsContact O-N 3.11Å; L658-Y660 VanDerWaalsContact C-N 3.35Å; Y660-L662 PolarHBondContact O-N 3.46Å; Y660-T663 PolarHBondContact O-N 2.85Å; Y660-T663 PolarHBondContact O-OG1 3.35Å; Y660-C664 PolarHBondContact O-N 2.81Å; Y660-C664 PolarHBondContact O-SG 3.49Å; Y660-P695 HydrophobicContact CD2-CB 3.53Å; Y660-P695 HydrophobicContact CE2-CB 3.85Å; Y660-P695 HydrophobicContact CG-CB 4.08Å; Y660-N699 WeakPolarHBondContact CD2-ND2 3.18Å; Y660-N699 VanDerWaalsContact CE2-ND2 3.32Å; Y660-N699 WeakPolarHBondContact CE2-ND2 3.22Å; Y660-N699 PolarHBondContact O-ND2 3.13Å |
| 661 | S | 91.7 | Very high | 91.8 | Very high | 18 Ų | 18 | 35.3 Ų | 35.3 | 13% | 0.126 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -55.5 | -36.7 | 178.2 | -68.7 | 0 | 0 | 0 | 0 | 112.9 | D616 S657 L658 T663 | D616-S661 VanDerWaalsContact OD1-CB 3.32Å; D616-S661 WeakPolarHBondContact OD1-CB 3.41Å; D616-S661 PolarHBondContact OD1-OG 2.94Å; S657-S661 PolarHBondContact O-N 3.5Å; S657-S661 PolarHBondContact O-OG 2.86Å; L658-S661 PolarHBondContact O-N 3.35Å; S661-T663 VanDerWaalsContact C-N 3.3Å; S661-T663 PolarHBondContact O-N 2.93Å |
| 662 | L | 92.2 | Very high | 92 | Very high | 7 Ų | 7 | 36.2 Ų | 36.2 | 4% | 0.037 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -73.2 | -17.1 | 176.5 | -69.7 | 167.3 | 0 | 0 | 0 | 114.3 | L619 T629 E633 C636 L658 A659 Y660 M671 | L619-L662 HydrophobicContact CD1-CD2 4.25Å; L619-L662 HydrophobicContact CD1-CG 4.08Å; L619-L662 HydrophobicContact CD2-CD2 3.68Å; L619-L662 HydrophobicContact CD2-CG 4.41Å; T629-L662 HydrophobicContact CG2-CD2 4.28Å; E633-L662 HydrophobicContact CB-CD2 3.97Å; E633-L662 HydrophobicContact CG-CD1 4.28Å; E633-L662 HydrophobicContact CG-CD2 4.26Å; C636-L662 HydrophobicContact CB-CD1 3.66Å; L658-L662 WeakPolarHBondContact O-CD1 3.36Å; L658-L662 VanDerWaalsContact O-CG 3.27Å; L658-L662 WeakPolarHBondContact O-CG 3.37Å; L658-L662 PolarHBondContact O-N 3.44Å; L658-L662 VanDerWaalsContact O-N 3.11Å; A659-L662 PolarHBondContact O-N 3.4Å; Y660-L662 PolarHBondContact O-N 3.46Å; L662-M671 HydrophobicContact CB-CE 4.04Å; L662-M671 HydrophobicContact CB-SD 4.41Å; L662-M671 HydrophobicContact CD1-CE 4.45Å; L662-M671 HydrophobicContact CD1-SD 4.36Å |
| 663 | T | 92.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -104.4 | -5.6 | -175.7 | 52.7 | 0 | 0 | 0 | 0 | 114.4 | A659 Y660 S661 H665 I667 M671 L696 N699 | A659-T663 WeakPolarHBondContact O-CG2 3.24Å; A659-T663 PolarHBondContact O-N 3.21Å; A659-T663 PolarHBondContact O-OG1 2.84Å; Y660-T663 PolarHBondContact O-N 2.85Å; Y660-T663 PolarHBondContact O-OG1 3.35Å; S661-T663 VanDerWaalsContact C-N 3.3Å; S661-T663 PolarHBondContact O-N 2.93Å; T663-H665 VanDerWaalsContact C-N 3.28Å; T663-H665 PolarHBondContact O-N 3.03Å; T663-I667 HydrophobicContact CG2-CG1 4.32Å; T663-I667 HydrophobicContact CG2-CG2 4.46Å; T663-M671 HydrophobicContact CG2-CB 4.27Å; T663-M671 HydrophobicContact CG2-CE 3.68Å; T663-M671 HydrophobicContact CG2-CG 4.36Å; T663-L696 HydrophobicContact CG2-CD1 3.81Å; T663-L696 WeakPolarHBondContact OG1-CD1 3.5Å; T663-N699 WeakPolarHBondContact OG1-CB 3.3Å; T663-N699 PolarHBondContact OG1-ND2 2.94Å |
| 664 | C | 88.1 | Confident | 92.3 | Very high | 25 Ų | 25 | 37 Ų | 37 | 17% | 0.169 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -60.2 | -26.2 | -175.7 | -68.8 | 0 | 0 | 0 | 0 | 115.5 | E623 Y660 I703 | E623-C664 VanDerWaalsContact OE1-CB 3.27Å; E623-C664 WeakPolarHBondContact OE1-CB 3.23Å; Y660-C664 PolarHBondContact O-N 2.81Å; Y660-C664 PolarHBondContact O-SG 3.49Å; C664-I703 VanDerWaalsContact O-CD1 3.31Å; C664-I703 WeakPolarHBondContact O-CD1 3.33Å |
| 665 | H | 85.6 | Confident | 92.4 | Very high | 92 Ų | 92 | 35.3 Ų | 35.3 | 43% | 0.426 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -117 | -39.2 | -175.9 | -71.9 | -22.1 | 0 | 0 | 0 | 115 | E623 T663 | E623-H665 VanDerWaalsContact CD-CE1 3.47Å; E623-H665 VanDerWaalsContact CG-NE2 3.29Å; E623-H665 WeakPolarHBondContact CG-NE2 3.23Å; E623-H665 PolarHBondContact O-CD2 3.25Å; E623-H665 PolarHBondContact O-NE2 3.44Å; E623-H665 IonicContact OE1-CD2 3.98Å; E623-H665 IonicContact OE1-CE1 3.01Å; E623-H665 PolarHBondContact OE1-CE1 2.98Å; E623-H665 IonicContact OE1-ND1 3.52Å; E623-H665 PolarHBondContact OE1-ND1 3.44Å; E623-H665 IonicContact OE1-NE2 2.78Å; E623-H665 PolarHBondContact OE1-NE2 3.11Å; T663-H665 VanDerWaalsContact C-N 3.28Å; T663-H665 PolarHBondContact O-N 3.03Å |
| 666 | S | 88.2 | Confident | 92.3 | Very high | 75 Ų | 75 | 36.4 Ų | 36.4 | 52% | 0.524 | 20% | 0.202 | S | C | . | . | trans | -159.8 | 143.9 | -179.8 | 59.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 667 | I | 92.7 | Very high | 92.1 | Very high | 16 Ų | 16 | 39.1 Ų | 39.1 | 8% | 0.082 | 22% | 0.216 | C | C | . | . | trans | -105.7 | 118.1 | -176.5 | -51.2 | -174 | 0 | 0 | 0 | 109.6 | T663 M671 W672 Y700 I703 D704 | T663-I667 HydrophobicContact CG2-CG1 4.32Å; T663-I667 HydrophobicContact CG2-CG2 4.46Å; I667-M671 HydrophobicContact CG2-CB 3.79Å; I667-W672 HydrophobicContact CD1-CZ2 4.34Å; I667-W672 HydrophobicContact CG2-CD2 4.19Å; I667-W672 HydrophobicContact CG2-CG 4.01Å; I667-Y700 HydrophobicContact CD1-CD1 3.72Å; I667-Y700 HydrophobicContact CD1-CE1 4.38Å; I667-Y700 HydrophobicContact CD1-CG 4.36Å; I667-Y700 HydrophobicContact CG2-CD1 4.08Å; I667-Y700 HydrophobicContact CG2-CE1 3.83Å; I667-I703 HydrophobicContact CD1-CB 4.31Å; I667-I703 HydrophobicContact CG1-CB 4.39Å; I667-I703 HydrophobicContact CG1-CG2 4.23Å; I667-D704 HydrophobicContact CB-CB 4.24Å; I667-D704 HydrophobicContact CD1-CB 4.08Å; I667-D704 HydrophobicContact CG1-CB 4.16Å | ||
| 668 | S | 92.3 | Very high | 92 | Very high | 19 Ų | 19 | 37.4 Ų | 37.4 | 13% | 0.133 | 20% | 0.203 | C | C | . | . | trans | -74.8 | 162.3 | 177.9 | 92.1 | 0 | 0 | 0 | 0 | 111.7 | E633 Q670 M671 W672 | E633-S668 WeakPolarHBondContact OE1-CB 3.19Å; E633-S668 PolarHBondContact OE1-OG 2.93Å; E633-S668 WeakPolarHBondContact OE2-CB 3.33Å; S668-Q670 PolarHBondContact O-N 3.23Å; S668-Q670 PolarHBondContact OG-N 3.13Å; S668-Q670 VanDerWaalsContact OG-N 3.08Å; S668-M671 PolarHBondContact O-N 2.62Å; S668-M671 PolarHBondContact OG-N 3.17Å; S668-W672 PolarHBondContact O-N 3.21Å | ||
| 669 | P | 91.9 | Very high | 91.8 | Very high | 102 Ų | 102 | 40.4 Ų | 40.4 | 66% | 0.662 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -59.3 | -28.1 | 171 | -23.9 | 34.6 | 0 | 0 | 0 | 114 | Q673 | P669-Q673 WeakPolarHBondContact O-CG 3.4Å; P669-Q673 PolarHBondContact O-N 3.16Å |
| 670 | Q | 91.4 | Very high | 91.6 | Very high | 83 Ų | 83 | 46.4 Ų | 46.4 | 39% | 0.388 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -73.9 | -42.2 | 177.3 | -67.1 | 167.4 | -59.8 | 0 | 0 | 110.3 | E633 N634 L637 S668 W672 Q673 L674 | E633-Q670 PolarHBondContact OE1-OE1 3.49Å; N634-Q670 PolarHBondContact OD1-NE2 3.43Å; L637-Q670 HydrophobicContact CD1-CB 3.64Å; L637-Q670 HydrophobicContact CD1-CG 4.43Å; S668-Q670 PolarHBondContact O-N 3.23Å; S668-Q670 PolarHBondContact OG-N 3.13Å; S668-Q670 VanDerWaalsContact OG-N 3.08Å; Q670-W672 VanDerWaalsContact C-N 3.28Å; Q670-W672 PolarHBondContact O-N 3.08Å; Q670-Q673 WeakPolarHBondContact O-CA 3.34Å; Q670-Q673 WeakPolarHBondContact O-CB 3.43Å; Q670-Q673 PolarHBondContact O-N 2.93Å; Q670-L674 PolarHBondContact O-N 3.3Å; Q670-L674 VanDerWaalsContact O-N 3.08Å |
| 671 | M | 94.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63 | -33.8 | 173.1 | -65.6 | -53.6 | -70.1 | 0 | 0 | 112.1 | E633 L637 A659 L662 T663 I667 S668 Q673 L674 L675 Y700 | E633-M671 HydrophobicContact CG-CG 4.35Å; E633-M671 HydrophobicContact CG-SD 4.24Å; L637-M671 HydrophobicContact CD2-SD 3.76Å; L637-M671 HydrophobicContact CG-SD 4.28Å; A659-M671 HydrophobicContact CB-CE 3.91Å; L662-M671 HydrophobicContact CB-CE 4.04Å; L662-M671 HydrophobicContact CB-SD 4.41Å; L662-M671 HydrophobicContact CD1-CE 4.45Å; L662-M671 HydrophobicContact CD1-SD 4.36Å; T663-M671 HydrophobicContact CG2-CB 4.27Å; T663-M671 HydrophobicContact CG2-CE 3.68Å; T663-M671 HydrophobicContact CG2-CG 4.36Å; I667-M671 HydrophobicContact CG2-CB 3.79Å; S668-M671 PolarHBondContact O-N 2.62Å; S668-M671 PolarHBondContact OG-N 3.17Å; M671-Q673 VanDerWaalsContact C-N 3.3Å; M671-Q673 PolarHBondContact O-N 3.07Å; M671-L674 HydrophobicContact CE-CD2 3.71Å; M671-L674 WeakPolarHBondContact O-CB 3.36Å; M671-L674 PolarHBondContact O-N 3.12Å; M671-L674 HydrophobicContact SD-CD2 4.27Å; M671-L675 PolarHBondContact O-N 3.31Å; M671-Y700 WeakPolarHBondContact O-CE1 3.29Å; M671-Y700 PolarHBondContact O-OH 2.96Å |
| 672 | W | 94.4 | Very high | 91.1 | Very high | 20 Ų | 20 | 41.9 Ų | 41.9 | 8% | 0.076 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.2 | -28.6 | 170.9 | -82.3 | 110.8 | 0 | 0 | 0 | 113.6 | I667 S668 Q670 L675 Y700 D704 T707 L708 H714 | I667-W672 HydrophobicContact CD1-CZ2 4.34Å; I667-W672 HydrophobicContact CG2-CD2 4.19Å; I667-W672 HydrophobicContact CG2-CG 4.01Å; S668-W672 PolarHBondContact O-N 3.21Å; Q670-W672 VanDerWaalsContact C-N 3.28Å; Q670-W672 PolarHBondContact O-N 3.08Å; W672-L675 HydrophobicContact CE3-CD2 4.01Å; W672-L675 HydrophobicContact CZ3-CD2 3.79Å; W672-Y700 HydrophobicContact CD2-CD1 4.2Å; W672-Y700 HydrophobicContact CD2-CE1 4.35Å; W672-Y700 AromaticContact CE3-CD1 3.87Å; W672-Y700 HydrophobicContact CE3-CD1 3.87Å; W672-Y700 HydrophobicContact CE3-CE1 4.16Å; W672-Y700 AromaticContact CH2-CD1 3.91Å; W672-Y700 HydrophobicContact CH2-CD1 3.91Å; W672-Y700 HydrophobicContact CH2-CG 4.49Å; W672-Y700 HydrophobicContact CZ2-CD1 4.25Å; W672-Y700 AromaticContact CZ3-CD1 3.71Å; W672-Y700 HydrophobicContact CZ3-CD1 3.71Å; W672-Y700 HydrophobicContact CZ3-CE1 4.44Å; W672-Y700 HydrophobicContact CZ3-CG 4.33Å; W672-D704 HydrophobicContact CZ2-CB 4.19Å; W672-D704 PolarHBondContact NE1-OD2 3.43Å; W672-T707 HydrophobicContact CD2-CG2 4.06Å; W672-T707 HydrophobicContact CG-CG2 4.26Å; W672-T707 HydrophobicContact CZ2-CG2 3.93Å; W672-L708 HydrophobicContact CH2-CB 3.87Å; W672-L708 HydrophobicContact CH2-CD1 4.07Å; W672-L708 HydrophobicContact CZ2-CB 4.49Å; W672-L708 HydrophobicContact CZ3-CD1 4.32Å; W672-H714 AromaticContact CD2-CE1 3.8Å; W672-H714 AromaticContact CE3-CE1 3.38Å; W672-H714 AromaticContact CE3-CG 3.87Å; W672-H714 AromaticContact CE3-ND1 3.38Å; W672-H714 AromaticContact CE3-NE2 3.92Å; W672-H714 AromaticContact CH2-ND1 3.93Å; W672-H714 HydrophobicContact CZ3-CB 3.98Å; W672-H714 AromaticContact CZ3-CE1 3.83Å; W672-H714 AromaticContact CZ3-CG 3.67Å; W672-H714 AromaticContact CZ3-ND1 3.3Å; W672-H714 VanDerWaalsContact CZ3-ND1 3.3Å; W672-H714 WeakPolarHBondContact CZ3-ND1 3.35Å |
| 673 | Q | 93 | Very high | 90.7 | Very high | 136 Ų | 136 | 44.9 Ų | 44.9 | 64% | 0.636 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -71.4 | -36 | 172.2 | -68.2 | 172 | 12.2 | 0 | 0 | 111.5 | P669 Q670 M671 L675 G676 I677 | P669-Q673 WeakPolarHBondContact O-CG 3.4Å; P669-Q673 PolarHBondContact O-N 3.16Å; Q670-Q673 WeakPolarHBondContact O-CA 3.34Å; Q670-Q673 WeakPolarHBondContact O-CB 3.43Å; Q670-Q673 PolarHBondContact O-N 2.93Å; M671-Q673 VanDerWaalsContact C-N 3.3Å; M671-Q673 PolarHBondContact O-N 3.07Å; Q673-L675 VanDerWaalsContact C-N 3.26Å; Q673-L675 PolarHBondContact O-N 2.76Å; Q673-G676 PolarHBondContact O-N 3.18Å; Q673-I677 PolarHBondContact O-N 3.39Å |
| 674 | L | 93.7 | Very high | 90 | Very high | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.4 | -37.8 | 176.5 | -179.3 | 62.6 | 0 | 0 | 0 | 112 | L637 I640 L644 A659 Q670 M671 G676 I677 L678 | L637-L674 HydrophobicContact CD2-CD2 4.4Å; I640-L674 HydrophobicContact CD1-CD2 4.26Å; I640-L674 HydrophobicContact CG2-CD1 3.73Å; I640-L674 HydrophobicContact CG2-CD2 4.41Å; L644-L674 HydrophobicContact CD1-CD1 4.23Å; A659-L674 HydrophobicContact CB-CD2 3.82Å; Q670-L674 PolarHBondContact O-N 3.3Å; Q670-L674 VanDerWaalsContact O-N 3.08Å; M671-L674 HydrophobicContact CE-CD2 3.71Å; M671-L674 WeakPolarHBondContact O-CB 3.36Å; M671-L674 PolarHBondContact O-N 3.12Å; M671-L674 HydrophobicContact SD-CD2 4.27Å; L674-G676 PolarHBondContact O-N 3.37Å; L674-I677 PolarHBondContact O-N 3.28Å; L674-L678 HydrophobicContact CD1-CD1 4.47Å; L674-L678 HydrophobicContact CD1-CD2 4.48Å; L674-L678 HydrophobicContact CD1-CG 4.08Å; L674-L678 HydrophobicContact CD2-CD1 4.44Å; L674-L678 HydrophobicContact CG-CD1 3.97Å; L674-L678 HydrophobicContact CG-CG 4.07Å; L674-L678 WeakPolarHBondContact O-CG 3.34Å; L674-L678 PolarHBondContact O-N 3.43Å |
| 675 | L | 94.3 | Very high | 88.9 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -54.6 | -39.3 | 174 | 178.9 | 62.7 | 0 | 0 | 0 | 112.4 | M671 W672 Q673 Y679 L697 Y700 H714 I717 L718 | M671-L675 PolarHBondContact O-N 3.31Å; W672-L675 HydrophobicContact CE3-CD2 4.01Å; W672-L675 HydrophobicContact CZ3-CD2 3.79Å; Q673-L675 VanDerWaalsContact C-N 3.26Å; Q673-L675 PolarHBondContact O-N 2.76Å; L675-Y679 WeakPolarHBondContact O-CB 3.38Å; L675-Y679 PolarHBondContact O-N 3.48Å; L675-L697 HydrophobicContact CD1-CD2 3.91Å; L675-Y700 HydrophobicContact CB-CE1 4.24Å; L675-Y700 HydrophobicContact CB-CE2 4.08Å; L675-Y700 HydrophobicContact CD1-CD2 4.04Å; L675-Y700 HydrophobicContact CD1-CE2 4Å; L675-H714 HydrophobicContact CD2-CB 4.37Å; L675-I717 HydrophobicContact CD1-CG2 4.09Å; L675-I717 HydrophobicContact CG-CG2 4.15Å; L675-L718 HydrophobicContact CD1-CD2 4.16Å |
| 676 | G | 91.9 | Very high | 88.1 | Confident | 26 Ų | 26 | 52.2 Ų | 52.2 | 27% | 0.268 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -67.8 | -40.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q673 L674 Y679 E680 | Q673-G676 PolarHBondContact O-N 3.18Å; L674-G676 PolarHBondContact O-N 3.37Å; G676-Y679 WeakPolarHBondContact O-CB 3.24Å; G676-Y679 PolarHBondContact O-N 2.89Å; G676-E680 PolarHBondContact O-N 2.76Å; G676-E680 VanDerWaalsContact O-N 3.14Å |
| 677 | I | 90.8 | Very high | 87.4 | Confident | 64 Ų | 64 | 50.8 Ų | 50.8 | 33% | 0.328 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66.5 | -47.5 | 177.3 | -59.7 | 171.4 | 0 | 0 | 0 | 110.1 | L644 Q673 L674 Y679 E680 V681 | L644-I677 HydrophobicContact CD1-CG2 3.83Å; Q673-I677 PolarHBondContact O-N 3.39Å; L674-I677 PolarHBondContact O-N 3.28Å; I677-Y679 VanDerWaalsContact C-N 3.26Å; I677-Y679 PolarHBondContact O-N 2.92Å; I677-E680 WeakPolarHBondContact O-CB 3.42Å; I677-E680 PolarHBondContact O-N 3.06Å; I677-V681 HydrophobicContact CG2-CG2 4.49Å; I677-V681 WeakPolarHBondContact O-CG2 3.43Å; I677-V681 PolarHBondContact O-N 3.43Å |
| 678 | L | 90.7 | Very high | 86.8 | Confident | 6 Ų | 6 | 56.9 Ų | 56.9 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.1 | -38.7 | 176.8 | -70.6 | 176.2 | 0 | 0 | 0 | 111.6 | L644 L656 L674 V681 F682 L696 | L644-L678 HydrophobicContact CD1-CD2 4.26Å; L656-L678 HydrophobicContact CD2-CD1 4.16Å; L656-L678 HydrophobicContact CD2-CD2 3.98Å; L674-L678 HydrophobicContact CD1-CD1 4.47Å; L674-L678 HydrophobicContact CD1-CD2 4.48Å; L674-L678 HydrophobicContact CD1-CG 4.08Å; L674-L678 HydrophobicContact CD2-CD1 4.44Å; L674-L678 HydrophobicContact CG-CD1 3.97Å; L674-L678 HydrophobicContact CG-CG 4.07Å; L674-L678 WeakPolarHBondContact O-CG 3.34Å; L674-L678 PolarHBondContact O-N 3.43Å; L678-V681 PolarHBondContact O-N 3.34Å; L678-F682 WeakPolarHBondContact O-CB 3.48Å; L678-F682 PolarHBondContact O-N 2.81Å; L678-L696 HydrophobicContact CD1-CD2 3.42Å; L678-L696 VanDerWaalsContact CD1-CD2 3.42Å |
| 679 | Y | 91.6 | Very high | 86.5 | Confident | 64 Ų | 64 | 59 Ų | 59 | 25% | 0.251 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 173.2 | 174.7 | -108.3 | 0 | 0 | 0 | 112.5 | L675 G676 I677 F682 Q683 I717 T720 M721 | L675-Y679 WeakPolarHBondContact O-CB 3.38Å; L675-Y679 PolarHBondContact O-N 3.48Å; G676-Y679 WeakPolarHBondContact O-CB 3.24Å; G676-Y679 PolarHBondContact O-N 2.89Å; I677-Y679 VanDerWaalsContact C-N 3.26Å; I677-Y679 PolarHBondContact O-N 2.92Å; Y679-F682 PolarHBondContact O-N 3.49Å; Y679-Q683 HydrophobicContact CE1-CG 4.3Å; Y679-Q683 HydrophobicContact CE2-CG 4.16Å; Y679-Q683 WeakPolarHBondContact O-CG 3.44Å; Y679-Q683 PolarHBondContact O-N 2.9Å; Y679-I717 HydrophobicContact CD1-CG1 4.26Å; Y679-I717 HydrophobicContact CD2-CB 4.44Å; Y679-I717 HydrophobicContact CD2-CG1 4.44Å; Y679-I717 HydrophobicContact CD2-CG2 3.77Å; Y679-I717 HydrophobicContact CG-CB 4.5Å; Y679-I717 HydrophobicContact CG-CG1 4.13Å; Y679-I717 HydrophobicContact CG-CG2 3.84Å; Y679-T720 HydrophobicContact CE2-CG2 3.88Å; Y679-T720 WeakPolarHBondContact OH-CG2 3.02Å; Y679-M721 HydrophobicContact CD2-CG 3.85Å; Y679-M721 HydrophobicContact CD2-SD 4.33Å; Y679-M721 HydrophobicContact CE2-CG 4.35Å |
| 680 | E | 89.3 | Confident | 86.4 | Confident | 126 Ų | 126 | 54.1 Ų | 54.1 | 59% | 0.589 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -63.2 | -42.9 | 177.1 | -71.6 | -178.1 | -177.7 | 0 | 0 | 111.9 | G676 I677 Q683 Q684 | G676-E680 PolarHBondContact O-N 2.76Å; G676-E680 VanDerWaalsContact O-N 3.14Å; I677-E680 WeakPolarHBondContact O-CB 3.42Å; I677-E680 PolarHBondContact O-N 3.06Å; E680-Q683 PolarHBondContact O-N 3.34Å; E680-Q684 PolarHBondContact O-N 2.93Å |
| 681 | V | 86.9 | Confident | 86.4 | Confident | 14 Ų | 14 | 52 Ų | 52 | 9% | 0.085 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.5 | -46.4 | 176.5 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | L644 Y652 I677 L678 Q683 Q684 C686 | L644-V681 HydrophobicContact CD2-CG1 4.31Å; L644-V681 HydrophobicContact CD2-CG2 4.16Å; Y652-V681 HydrophobicContact CE2-CG1 3.76Å; I677-V681 HydrophobicContact CG2-CG2 4.49Å; I677-V681 WeakPolarHBondContact O-CG2 3.43Å; I677-V681 PolarHBondContact O-N 3.43Å; L678-V681 PolarHBondContact O-N 3.34Å; V681-Q683 PolarHBondContact O-N 3.37Å; V681-Q684 PolarHBondContact O-N 3.46Å; V681-C686 HydrophobicContact CG1-CB 4.13Å |
| 682 | F | 87.2 | Confident | 86.3 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.8 | -29.3 | 175.4 | -178.6 | -92 | 0 | 0 | 0 | 113.2 | L678 Y679 F687 F690 M693 M721 K724 V725 | L678-F682 WeakPolarHBondContact O-CB 3.48Å; L678-F682 PolarHBondContact O-N 2.81Å; Y679-F682 PolarHBondContact O-N 3.49Å; F682-F687 HydrophobicContact CD2-CB 4.13Å; F682-F687 HydrophobicContact CE1-CB 4.17Å; F682-F687 HydrophobicContact CE2-CB 3.53Å; F682-F687 HydrophobicContact CZ-CB 3.54Å; F682-F690 HydrophobicContact CE2-CB 4.16Å; F682-F690 AromaticContact CE2-CD2 3.74Å; F682-F690 HydrophobicContact CE2-CD2 3.74Å; F682-F690 HydrophobicContact CE2-CG 4.44Å; F682-F690 HydrophobicContact CZ-CD2 4Å; F682-M693 HydrophobicContact CB-CE 4.48Å; F682-M693 HydrophobicContact CD2-CE 4.27Å; F682-M693 HydrophobicContact CD2-SD 3.84Å; F682-M721 HydrophobicContact CB-CE 4.15Å; F682-M721 HydrophobicContact CD1-CB 4.36Å; F682-M721 HydrophobicContact CD1-CE 4.17Å; F682-M721 HydrophobicContact CD1-CG 3.82Å; F682-M721 HydrophobicContact CD2-CE 3.73Å; F682-M721 HydrophobicContact CE1-CB 3.92Å; F682-M721 HydrophobicContact CE1-CG 3.9Å; F682-M721 HydrophobicContact CE2-CE 4.12Å; F682-M721 HydrophobicContact CG-CE 3.76Å; F682-M721 HydrophobicContact CG-CG 4.37Å; F682-M721 HydrophobicContact CZ-CB 4.21Å; F682-K724 HydrophobicContact CD1-CD 4.22Å; F682-K724 HydrophobicContact CE1-CB 3.99Å; F682-K724 HydrophobicContact CE1-CD 3.67Å; F682-K724 HydrophobicContact CE1-CG 4.25Å; F682-K724 HydrophobicContact CZ-CB 4.5Å; F682-K724 HydrophobicContact CZ-CD 4.44Å; F682-K724 PolarHBondContact O-NZ 3.31Å; F682-V725 HydrophobicContact CE2-CG2 4.43Å; F682-V725 HydrophobicContact CZ-CG2 3.82Å |
| 683 | Q | 85 | Confident | 86.3 | Confident | 70 Ų | 70 | 53.7 Ų | 53.7 | 33% | 0.327 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -71 | -28.8 | 175 | -70.3 | -54.3 | -39.1 | 0 | 0 | 113.4 | Y679 E680 V681 D685 K724 | Y679-Q683 HydrophobicContact CE1-CG 4.3Å; Y679-Q683 HydrophobicContact CE2-CG 4.16Å; Y679-Q683 WeakPolarHBondContact O-CG 3.44Å; Y679-Q683 PolarHBondContact O-N 2.9Å; E680-Q683 PolarHBondContact O-N 3.34Å; V681-Q683 PolarHBondContact O-N 3.37Å; Q683-D685 PolarHBondContact O-N 3.27Å; Q683-K724 PolarHBondContact O-NZ 3.19Å |
| 684 | Q | 77.4 | Confident | 86.3 | Confident | 127 Ų | 127 | 47.2 Ų | 47.2 | 59% | 0.593 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 29.6 | -171.2 | -63.4 | -179.3 | 15.1 | 0 | 0 | 114.9 | E680 V681 | E680-Q684 PolarHBondContact O-N 2.93Å; V681-Q684 PolarHBondContact O-N 3.46Å |
| 685 | D | 65.1 | Low | 86.3 | Confident | 131 Ų | 131 | 48.9 Ų | 48.9 | 70% | 0.701 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 99.8 | 15.5 | 176.2 | -51.6 | -34.3 | 0 | 0 | 0 | 117 | Q683 | Q683-D685 PolarHBondContact O-N 3.27Š|
| 686 | C | 68.7 | Low | 86.3 | Confident | 14 Ų | 14 | 48.9 Ų | 48.9 | 10% | 0.095 | 25% | 0.246 | C | C | . | . | trans | -102.7 | 30.9 | 176.1 | -55.6 | 0 | 0 | 0 | 0 | 114.2 | Y652 V681 E688 Y689 | Y652-C686 HydrophobicContact CE2-CB 4.22Å; Y652-C686 VanDerWaalsContact CE2-SG 3.57Å; V681-C686 HydrophobicContact CG1-CB 4.13Å; C686-E688 VanDerWaalsContact C-N 3.3Å; C686-Y689 HydrophobicContact CB-CD2 4.39Å | ||
| 687 | F | 74 | Confident | 86.5 | Confident | 45 Ų | 45 | 47.8 Ų | 47.8 | 20% | 0.197 | 23% | 0.234 | C | C | . | . | trans | -80.8 | -10.7 | -178.1 | 70 | -89.6 | 0 | 0 | 0 | 114.3 | F682 Y689 F690 A730 | F682-F687 HydrophobicContact CD2-CB 4.13Å; F682-F687 HydrophobicContact CE1-CB 4.17Å; F682-F687 HydrophobicContact CE2-CB 3.53Å; F682-F687 HydrophobicContact CZ-CB 3.54Å; F687-Y689 VanDerWaalsContact C-N 3.28Å; F687-F690 WeakPolarHBondContact O-CB 3.48Å; F687-F690 PolarHBondContact O-N 3.25Å; F687-A730 HydrophobicContact CD2-CB 3.91Å; F687-A730 HydrophobicContact CE2-CB 4.03Å | ||
| 688 | E | 79.3 | Confident | 86.8 | Confident | 144 Ų | 144 | 45.3 Ų | 45.3 | 67% | 0.673 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -31.5 | 172.1 | -63.4 | 179.4 | 173.2 | 0 | 0 | 111.3 | C686 F690 | C686-E688 VanDerWaalsContact C-N 3.3Å; E688-F690 PolarHBondContact O-N 2.92Å; E688-F690 VanDerWaalsContact O-N 3.11Å |
| 689 | Y | 85.8 | Confident | 87 | Confident | 62 Ų | 62 | 45.5 Ų | 45.5 | 24% | 0.243 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 17.3 | 176.5 | -66.3 | -83.2 | 0 | 0 | 0 | 114.1 | I649 Y652 C686 F687 T691 D692 M693 | I649-Y689 HydrophobicContact CG2-CE2 3.68Å; I649-Y689 WeakPolarHBondContact CG2-OH 3.19Å; Y652-Y689 HydrophobicContact CD2-CD2 4.34Å; C686-Y689 HydrophobicContact CB-CD2 4.39Å; F687-Y689 VanDerWaalsContact C-N 3.28Å; Y689-T691 VanDerWaalsContact C-N 3.28Å; Y689-T691 PolarHBondContact O-N 3.12Å; Y689-D692 WeakPolarHBondContact CA-OD2 3.41Å; Y689-D692 WeakPolarHBondContact CD1-OD2 3.45Å; Y689-D692 PolarHBondContact O-N 3.03Å; Y689-M693 VanDerWaalsContact O-CG 3.31Å; Y689-M693 WeakPolarHBondContact O-CG 3.47Å; Y689-M693 PolarHBondContact O-N 2.96Å |
| 690 | F | 90.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.9 | -37.2 | -178.3 | -174.5 | -92.1 | 0 | 0 | 0 | 111.8 | F682 F687 E688 D692 M693 M694 L697 M721 V725 A734 H737 A738 L741 | F682-F690 HydrophobicContact CE2-CB 4.16Å; F682-F690 AromaticContact CE2-CD2 3.74Å; F682-F690 HydrophobicContact CE2-CD2 3.74Å; F682-F690 HydrophobicContact CE2-CG 4.44Å; F682-F690 HydrophobicContact CZ-CD2 4Å; F687-F690 WeakPolarHBondContact O-CB 3.48Å; F687-F690 PolarHBondContact O-N 3.25Å; E688-F690 PolarHBondContact O-N 2.92Å; E688-F690 VanDerWaalsContact O-N 3.11Å; F690-D692 VanDerWaalsContact C-N 3.32Å; F690-D692 PolarHBondContact O-N 3.5Å; F690-M693 PolarHBondContact O-N 3.2Å; F690-M694 PolarHBondContact O-N 2.95Å; F690-L697 HydrophobicContact CE2-CD1 3.84Å; F690-L697 HydrophobicContact CZ-CD1 4.19Å; F690-M721 HydrophobicContact CE2-CB 4.1Å; F690-V725 HydrophobicContact CB-CG2 3.94Å; F690-V725 HydrophobicContact CD1-CG2 4.15Å; F690-V725 HydrophobicContact CD2-CG2 3.53Å; F690-V725 HydrophobicContact CE2-CG2 4.05Å; F690-V725 HydrophobicContact CG-CG2 3.58Å; F690-A734 HydrophobicContact CB-CB 4.42Å; F690-H737 HydrophobicContact CD1-CB 4.06Å; F690-H737 HydrophobicContact CE1-CB 3.91Å; F690-A738 HydrophobicContact CD1-CB 4.42Å; F690-A738 VanDerWaalsContact CE1-CA 3.48Å; F690-A738 HydrophobicContact CE1-CB 3.72Å; F690-A738 HydrophobicContact CZ-CB 3.93Å; F690-L741 HydrophobicContact CZ-CD2 4.17Å |
| 691 | T | 91.7 | Very high | 87.5 | Confident | 38 Ų | 38 | 36.4 Ų | 36.4 | 23% | 0.233 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.8 | -44 | 176.4 | -60.8 | 0 | 0 | 0 | 0 | 110.5 | Y689 M693 M694 D733 | Y689-T691 VanDerWaalsContact C-N 3.28Å; Y689-T691 PolarHBondContact O-N 3.12Å; T691-M693 PolarHBondContact O-N 3.12Å; T691-M694 VanDerWaalsContact O-CB 3.27Å; T691-M694 WeakPolarHBondContact O-CB 3.33Å; T691-M694 PolarHBondContact O-N 3.46Å; T691-D733 PolarHBondContact OG1-OD2 3.05Å |
| 692 | D | 91.2 | Very high | 87.8 | Confident | 53 Ų | 53 | 37.1 Ų | 37.1 | 28% | 0.283 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -71 | -29.8 | 178 | -45.7 | -63.5 | 0 | 0 | 0 | 113.1 | L656 Y689 F690 M694 P695 | L656-D692 HydrophobicContact CD1-CB 3.88Å; Y689-D692 WeakPolarHBondContact CA-OD2 3.41Å; Y689-D692 WeakPolarHBondContact CD1-OD2 3.45Å; Y689-D692 PolarHBondContact O-N 3.03Å; F690-D692 VanDerWaalsContact C-N 3.32Å; F690-D692 PolarHBondContact O-N 3.5Å; D692-M694 VanDerWaalsContact C-N 3.31Å; D692-P695 WeakPolarHBondContact O-CD 3.32Å |
| 693 | M | 93.3 | Very high | 88.1 | Confident | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.015 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -73.1 | -25 | 174.2 | -70.5 | -177 | -172.5 | 0 | 0 | 112.3 | L656 F682 Y689 F690 T691 L696 L697 M721 | L656-M693 HydrophobicContact CD1-CB 4.48Å; L656-M693 HydrophobicContact CD1-CE 4.46Å; L656-M693 HydrophobicContact CD1-CG 3.58Å; L656-M693 HydrophobicContact CD2-CG 3.8Å; L656-M693 HydrophobicContact CG-CG 4.37Å; F682-M693 HydrophobicContact CB-CE 4.48Å; F682-M693 HydrophobicContact CD2-CE 4.27Å; F682-M693 HydrophobicContact CD2-SD 3.84Å; Y689-M693 VanDerWaalsContact O-CG 3.31Å; Y689-M693 WeakPolarHBondContact O-CG 3.47Å; Y689-M693 PolarHBondContact O-N 2.96Å; F690-M693 PolarHBondContact O-N 3.2Å; T691-M693 PolarHBondContact O-N 3.12Å; M693-L696 PolarHBondContact O-N 2.78Å; M693-L696 VanDerWaalsContact O-N 3.13Å; M693-L697 HydrophobicContact CB-CD1 4.24Å; M693-L697 HydrophobicContact CB-CG 4.31Å; M693-L697 WeakPolarHBondContact O-CG 3.42Å; M693-L697 PolarHBondContact O-N 3.42Å; M693-M721 HydrophobicContact SD-CE 3.68Å |
| 694 | M | 93.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -55.8 | -44.9 | -169.8 | 179.9 | 58.8 | -173.4 | 0 | 0 | 114.2 | F690 T691 D692 L696 L697 H698 H737 K740 L741 F945 | F690-M694 PolarHBondContact O-N 2.95Å; T691-M694 VanDerWaalsContact O-CB 3.27Å; T691-M694 WeakPolarHBondContact O-CB 3.33Å; T691-M694 PolarHBondContact O-N 3.46Å; D692-M694 VanDerWaalsContact C-N 3.31Å; M694-L696 VanDerWaalsContact C-N 3.33Å; M694-L696 PolarHBondContact O-N 3.21Å; M694-L697 PolarHBondContact O-N 2.95Å; M694-H698 HydrophobicContact CE-CB 4.49Å; M694-H698 WeakPolarHBondContact O-CB 3.5Å; M694-H698 PolarHBondContact O-N 3.33Å; M694-H737 HydrophobicContact CB-CB 4.44Å; M694-H737 HydrophobicContact CG-CB 4.26Å; M694-K740 HydrophobicContact CE-CB 4.45Å; M694-K740 HydrophobicContact CE-CG 4.3Å; M694-L741 HydrophobicContact CE-CB 3.77Å; M694-L741 HydrophobicContact CE-CD1 3.97Å; M694-L741 HydrophobicContact CE-CG 4.41Å; M694-L741 HydrophobicContact SD-CB 3.7Å; M694-L741 HydrophobicContact SD-CD1 3.97Å; M694-L741 HydrophobicContact SD-CD2 4.12Å; M694-L741 HydrophobicContact SD-CG 4.13Å; M694-F945 HydrophobicContact CB-CE1 4.33Å; M694-F945 HydrophobicContact CB-CZ 4.05Å; M694-F945 HydrophobicContact CE-CB 4.31Å; M694-F945 HydrophobicContact CE-CD1 4Å; M694-F945 HydrophobicContact CE-CD2 4.15Å; M694-F945 HydrophobicContact CE-CE1 4.42Å; M694-F945 HydrophobicContact CE-CG 3.86Å; M694-F945 HydrophobicContact CG-CD1 4.13Å; M694-F945 HydrophobicContact CG-CD2 4.34Å; M694-F945 HydrophobicContact CG-CE1 3.61Å; M694-F945 HydrophobicContact CG-CE2 3.84Å; M694-F945 HydrophobicContact CG-CG 4.47Å; M694-F945 HydrophobicContact CG-CZ 3.44Å; M694-F945 VanDerWaalsContact CG-CZ 3.44Å |
| 695 | P | 94.4 | Very high | 89.2 | Confident | 39 Ų | 39 | 33 Ų | 33 | 25% | 0.253 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -56.8 | -44 | 176.3 | -24.3 | 34.2 | 0 | 0 | 0 | 113.1 | Y660 D692 H698 N699 F945 | Y660-P695 HydrophobicContact CD2-CB 3.53Å; Y660-P695 HydrophobicContact CE2-CB 3.85Å; Y660-P695 HydrophobicContact CG-CB 4.08Å; D692-P695 WeakPolarHBondContact O-CD 3.32Å; P695-H698 WeakPolarHBondContact O-CB 3.33Å; P695-H698 PolarHBondContact O-N 2.77Å; P695-N699 PolarHBondContact O-N 3.17Å; P695-N699 VanDerWaalsContact O-N 3.09Å; P695-F945 HydrophobicContact CB-CE1 4.34Å; P695-F945 HydrophobicContact CG-CE1 4.03Å; P695-F945 HydrophobicContact CG-CZ 4.32Å |
| 696 | L | 95.1 | Very high | 90.5 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.2 | -43.2 | 177.3 | 174.8 | 61.1 | 0 | 0 | 0 | 111.7 | L656 A659 T663 L678 M693 M694 H698 N699 Y700 | L656-L696 HydrophobicContact CD2-CD2 4.07Å; A659-L696 HydrophobicContact CB-CD1 4.06Å; A659-L696 HydrophobicContact CB-CD2 3.64Å; A659-L696 HydrophobicContact CB-CG 4.45Å; T663-L696 HydrophobicContact CG2-CD1 3.81Å; T663-L696 WeakPolarHBondContact OG1-CD1 3.5Å; L678-L696 HydrophobicContact CD1-CD2 3.42Å; L678-L696 VanDerWaalsContact CD1-CD2 3.42Å; M693-L696 PolarHBondContact O-N 2.78Å; M693-L696 VanDerWaalsContact O-N 3.13Å; M694-L696 VanDerWaalsContact C-N 3.33Å; M694-L696 PolarHBondContact O-N 3.21Å; L696-H698 VanDerWaalsContact C-N 3.28Å; L696-H698 PolarHBondContact O-N 2.87Å; L696-N699 PolarHBondContact O-N 2.94Å; L696-Y700 HydrophobicContact CD1-CD2 4.25Å; L696-Y700 HydrophobicContact CD1-CE2 3.65Å; L696-Y700 HydrophobicContact CD2-CE2 4.19Å; L696-Y700 HydrophobicContact CG-CD2 4.17Å; L696-Y700 HydrophobicContact CG-CE2 3.62Å; L696-Y700 WeakPolarHBondContact O-CD2 3.23Å; L696-Y700 PolarHBondContact O-N 3.3Å; L696-Y700 VanDerWaalsContact O-N 3.16Å |
| 697 | L | 95.9 | Very high | 91.6 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.3 | -37 | 176.2 | -62.4 | -176.9 | 0 | 0 | 0 | 111.9 | L675 F690 M693 M694 Y700 V701 L718 M721 L741 | L675-L697 HydrophobicContact CD1-CD2 3.91Å; F690-L697 HydrophobicContact CE2-CD1 3.84Å; F690-L697 HydrophobicContact CZ-CD1 4.19Å; M693-L697 HydrophobicContact CB-CD1 4.24Å; M693-L697 HydrophobicContact CB-CG 4.31Å; M693-L697 WeakPolarHBondContact O-CG 3.42Å; M693-L697 PolarHBondContact O-N 3.42Å; M694-L697 PolarHBondContact O-N 2.95Å; L697-Y700 HydrophobicContact CD2-CD2 4.49Å; L697-Y700 PolarHBondContact O-N 3.18Å; L697-V701 WeakPolarHBondContact O-CG2 3.32Å; L697-V701 PolarHBondContact O-N 3.02Å; L697-L718 HydrophobicContact CB-CD2 4.33Å; L697-L718 HydrophobicContact CD2-CD2 3.7Å; L697-L718 HydrophobicContact CG-CD2 4.41Å; L697-M721 HydrophobicContact CD1-CE 3.92Å; L697-M721 HydrophobicContact CD1-SD 4.38Å; L697-M721 HydrophobicContact CD2-CE 4.35Å; L697-M721 HydrophobicContact CD2-SD 4.33Å; L697-L741 HydrophobicContact CB-CD1 4.32Å; L697-L741 HydrophobicContact CB-CD2 3.82Å; L697-L741 HydrophobicContact CD1-CD2 3.82Å; L697-L741 HydrophobicContact CG-CD2 4.47Å |
| 698 | H | 95.8 | Very high | 92.6 | Very high | 13 Ų | 13 | 31.3 Ų | 31.3 | 6% | 0.06 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62 | -46.3 | 173.7 | 179.5 | -87.7 | 0 | 0 | 0 | 111.5 | M694 P695 L696 Y700 V701 T702 F945 S946 | M694-H698 HydrophobicContact CE-CB 4.49Å; M694-H698 WeakPolarHBondContact O-CB 3.5Å; M694-H698 PolarHBondContact O-N 3.33Å; P695-H698 WeakPolarHBondContact O-CB 3.33Å; P695-H698 PolarHBondContact O-N 2.77Å; L696-H698 VanDerWaalsContact C-N 3.28Å; L696-H698 PolarHBondContact O-N 2.87Å; H698-Y700 VanDerWaalsContact C-N 3.34Å; H698-Y700 PolarHBondContact O-N 3.48Å; H698-V701 WeakPolarHBondContact O-CA 3.31Å; H698-V701 WeakPolarHBondContact O-CB 3.31Å; H698-V701 PolarHBondContact O-N 2.99Å; H698-T702 VanDerWaalsContact CE1-CG2 3.4Å; H698-T702 WeakPolarHBondContact CE1-CG2 3.46Å; H698-T702 PolarHBondContact ND1-OG1 3.43Å; H698-T702 WeakPolarHBondContact NE2-CG2 3.32Å; H698-T702 PolarHBondContact O-N 3.35Å; H698-T702 PolarHBondContact O-OG1 2.93Å; H698-T702 VanDerWaalsContact O-OG1 3.05Å; H698-F945 HydrophobicContact CB-CD1 4.08Å; H698-S946 PolarHBondContact CE1-O 3.01Å; H698-S946 PolarHBondContact NE2-O 3.31Å |
| 699 | N | 95 | Very high | 93.2 | Very high | 9 Ų | 9 | 27 Ų | 27 | 5% | 0.048 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.4 | -42.7 | 176.9 | -77.9 | -5.9 | 0 | 0 | 0 | 112.4 | Y660 T663 P695 L696 V701 T702 I703 | Y660-N699 WeakPolarHBondContact CD2-ND2 3.18Å; Y660-N699 VanDerWaalsContact CE2-ND2 3.32Å; Y660-N699 WeakPolarHBondContact CE2-ND2 3.22Å; Y660-N699 PolarHBondContact O-ND2 3.13Å; T663-N699 WeakPolarHBondContact OG1-CB 3.3Å; T663-N699 PolarHBondContact OG1-ND2 2.94Å; P695-N699 PolarHBondContact O-N 3.17Å; P695-N699 VanDerWaalsContact O-N 3.09Å; L696-N699 PolarHBondContact O-N 2.94Å; N699-V701 PolarHBondContact O-N 3.31Å; N699-V701 VanDerWaalsContact O-N 3.14Å; N699-T702 PolarHBondContact O-N 3.36Å; N699-I703 HydrophobicContact CB-CG1 4.19Å; N699-I703 WeakPolarHBondContact O-CB 3.18Å; N699-I703 WeakPolarHBondContact O-CG1 3.31Å; N699-I703 PolarHBondContact O-N 3.32Å |
| 700 | Y | 96.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.4 | -28 | 174.7 | -74.8 | -64.2 | 0 | 0 | 0 | 113.4 | I667 M671 W672 L675 L696 L697 H698 | I667-Y700 HydrophobicContact CD1-CD1 3.72Å; I667-Y700 HydrophobicContact CD1-CE1 4.38Å; I667-Y700 HydrophobicContact CD1-CG 4.36Å; I667-Y700 HydrophobicContact CG2-CD1 4.08Å; I667-Y700 HydrophobicContact CG2-CE1 3.83Å; M671-Y700 WeakPolarHBondContact O-CE1 3.29Å; M671-Y700 PolarHBondContact O-OH 2.96Å; W672-Y700 HydrophobicContact CD2-CD1 4.2Å; W672-Y700 HydrophobicContact CD2-CE1 4.35Å; W672-Y700 AromaticContact CE3-CD1 3.87Å; W672-Y700 HydrophobicContact CE3-CD1 3.87Å; W672-Y700 HydrophobicContact CE3-CE1 4.16Å; W672-Y700 AromaticContact CH2-CD1 3.91Å; W672-Y700 HydrophobicContact CH2-CD1 3.91Å; W672-Y700 HydrophobicContact CH2-CG 4.49Å; W672-Y700 HydrophobicContact CZ2-CD1 4.25Å; W672-Y700 AromaticContact CZ3-CD1 3.71Å; W672-Y700 HydrophobicContact CZ3-CD1 3.71Å; W672-Y700 HydrophobicContact CZ3-CE1 4.44Å; W672-Y700 HydrophobicContact CZ3-CG 4.33Å; L675-Y700 HydrophobicContact CB-CE1 4.24Å; L675-Y700 HydrophobicContact CB-CE2 4.08Å; L675-Y700 HydrophobicContact CD1-CD2 4.04Å; L675-Y700 HydrophobicContact CD1-CE2 4Å; L696-Y700 HydrophobicContact CD1-CD2 4.25Å; L696-Y700 HydrophobicContact CD1-CE2 3.65Å; L696-Y700 HydrophobicContact CD2-CE2 4.19Å; L696-Y700 HydrophobicContact CG-CD2 4.17Å; L696-Y700 HydrophobicContact CG-CE2 3.62Å; L696-Y700 WeakPolarHBondContact O-CD2 3.23Å; L696-Y700 PolarHBondContact O-N 3.3Å; L696-Y700 VanDerWaalsContact O-N 3.16Å; L697-Y700 HydrophobicContact CD2-CD2 4.49Å; L697-Y700 PolarHBondContact O-N 3.18Å; H698-Y700 VanDerWaalsContact C-N 3.34Å; H698-Y700 PolarHBondContact O-N 3.48Å |
| 701 | V | 95.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -86.5 | -46.2 | 178.8 | 179.1 | 0 | 0 | 0 | 0 | 111.7 | L697 H698 N699 T705 L708 L718 L741 V744 I745 Q748 | L697-V701 WeakPolarHBondContact O-CG2 3.32Å; L697-V701 PolarHBondContact O-N 3.02Å; H698-V701 WeakPolarHBondContact O-CA 3.31Å; H698-V701 WeakPolarHBondContact O-CB 3.31Å; H698-V701 PolarHBondContact O-N 2.99Å; N699-V701 PolarHBondContact O-N 3.31Å; N699-V701 VanDerWaalsContact O-N 3.14Å; V701-T705 PolarHBondContact O-OG1 2.67Å; V701-L708 HydrophobicContact CB-CD2 4.49Å; V701-L708 HydrophobicContact CG1-CD2 4.37Å; V701-L708 HydrophobicContact CG2-CD2 4.25Å; V701-L718 HydrophobicContact CG2-CD1 3.57Å; V701-L741 HydrophobicContact CG2-CD1 4.21Å; V701-V744 HydrophobicContact CB-CG1 4.45Å; V701-V744 HydrophobicContact CG1-CG1 3.97Å; V701-I745 HydrophobicContact CG1-CG1 3.93Å; V701-I745 HydrophobicContact CG2-CD1 4.38Å; V701-I745 HydrophobicContact CG2-CG1 3.74Å; V701-Q748 HydrophobicContact CG1-CB 4.01Å; V701-Q748 HydrophobicContact CG1-CG 4.05Å |
| 702 | T | 94 | Very high | 93.2 | Very high | 29 Ų | 29 | 33.7 Ų | 33.7 | 18% | 0.178 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -88.1 | -32.6 | -167.5 | 57.5 | 0 | 0 | 0 | 0 | 114 | H698 N699 V744 Q748 | H698-T702 VanDerWaalsContact CE1-CG2 3.4Å; H698-T702 WeakPolarHBondContact CE1-CG2 3.46Å; H698-T702 PolarHBondContact ND1-OG1 3.43Å; H698-T702 WeakPolarHBondContact NE2-CG2 3.32Å; H698-T702 PolarHBondContact O-N 3.35Å; H698-T702 PolarHBondContact O-OG1 2.93Å; H698-T702 VanDerWaalsContact O-OG1 3.05Å; N699-T702 PolarHBondContact O-N 3.36Å; T702-V744 HydrophobicContact CG2-CG1 3.93Å; T702-Q748 PolarHBondContact O-NE2 3.35Å |
| 703 | I | 93.1 | Very high | 93.2 | Very high | 65 Ų | 65 | 37.7 Ų | 37.7 | 33% | 0.333 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -45 | -173.7 | -56.5 | -57.5 | 0 | 0 | 0 | 112.4 | C664 I667 N699 | C664-I703 VanDerWaalsContact O-CD1 3.31Å; C664-I703 WeakPolarHBondContact O-CD1 3.33Å; I667-I703 HydrophobicContact CD1-CB 4.31Å; I667-I703 HydrophobicContact CG1-CB 4.39Å; I667-I703 HydrophobicContact CG1-CG2 4.23Å; N699-I703 HydrophobicContact CB-CG1 4.19Å; N699-I703 WeakPolarHBondContact O-CB 3.18Å; N699-I703 WeakPolarHBondContact O-CG1 3.31Å; N699-I703 PolarHBondContact O-N 3.32Å |
| 704 | D | 92.3 | Very high | 93.2 | Very high | 37 Ų | 37 | 38.6 Ų | 38.6 | 20% | 0.198 | 22% | 0.215 | C | C | . | . | trans | -129.3 | 60.9 | -178.7 | -170.5 | 5 | 0 | 0 | 0 | 112.4 | I667 W672 D706 T707 L708 | I667-D704 HydrophobicContact CB-CB 4.24Å; I667-D704 HydrophobicContact CD1-CB 4.08Å; I667-D704 HydrophobicContact CG1-CB 4.16Å; W672-D704 HydrophobicContact CZ2-CB 4.19Å; W672-D704 PolarHBondContact NE1-OD2 3.43Å; D704-D706 PolarHBondContact O-N 3.16Å; D704-T707 VanDerWaalsContact CG-CB 3.44Å; D704-T707 PolarHBondContact O-N 2.98Å; D704-T707 WeakPolarHBondContact OD1-CB 3.46Å; D704-T707 PolarHBondContact OD1-N 3.15Å; D704-T707 VanDerWaalsContact OD1-N 3.08Å; D704-T707 PolarHBondContact OD1-OG1 3.04Å; D704-T707 WeakPolarHBondContact OD2-CB 3.41Å; D704-T707 PolarHBondContact OD2-OG1 2.9Å; D704-L708 PolarHBondContact O-N 3.41Å; D704-L708 VanDerWaalsContact O-N 3.11Å | ||
| 705 | T | 92.5 | Very high | 93.1 | Very high | 7 Ų | 7 | 39.4 Ų | 39.4 | 4% | 0.043 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.9 | -29.9 | 178.2 | -46.5 | 0 | 0 | 0 | 0 | 112.5 | V701 L708 L709 Q748 | V701-T705 PolarHBondContact O-OG1 2.67Å; T705-L708 WeakPolarHBondContact O-CB 3.4Å; T705-L708 PolarHBondContact O-N 3.29Å; T705-L709 HydrophobicContact CG2-CD1 4.03Å; T705-L709 HydrophobicContact CG2-CG 4.35Å; T705-L709 VanDerWaalsContact O-CG 3.3Å; T705-L709 WeakPolarHBondContact O-CG 3.43Å; T705-L709 PolarHBondContact O-N 3.42Å; T705-Q748 HydrophobicContact CG2-CG 4.09Å; T705-Q748 WeakPolarHBondContact OG1-CG 3.31Å; T705-Q748 PolarHBondContact OG1-NE2 3.47Å |
| 706 | D | 92.6 | Very high | 93.1 | Very high | 110 Ų | 110 | 43.4 Ų | 43.4 | 59% | 0.588 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -70.4 | -42.6 | -178.2 | -68.9 | -24.4 | 0 | 0 | 0 | 111 | D704 L709 S710 R752 | D704-D706 PolarHBondContact O-N 3.16Å; D706-L709 PolarHBondContact O-N 2.93Å; D706-S710 WeakPolarHBondContact O-CB 3.46Å; D706-S710 PolarHBondContact O-N 3.01Å; D706-R752 IonicContact OD1-NH1 2.92Å; D706-R752 PolarHBondContact OD1-NH1 3.06Å |
| 707 | T | 92.9 | Very high | 93.1 | Very high | 45 Ų | 45 | 44.6 Ų | 44.6 | 28% | 0.276 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -68.3 | -38 | 173.3 | -58.1 | 0 | 0 | 0 | 0 | 111.8 | W672 D704 L709 S710 | W672-T707 HydrophobicContact CD2-CG2 4.06Å; W672-T707 HydrophobicContact CG-CG2 4.26Å; W672-T707 HydrophobicContact CZ2-CG2 3.93Å; D704-T707 VanDerWaalsContact CG-CB 3.44Å; D704-T707 PolarHBondContact O-N 2.98Å; D704-T707 WeakPolarHBondContact OD1-CB 3.46Å; D704-T707 PolarHBondContact OD1-N 3.15Å; D704-T707 VanDerWaalsContact OD1-N 3.08Å; D704-T707 PolarHBondContact OD1-OG1 3.04Å; D704-T707 WeakPolarHBondContact OD2-CB 3.41Å; D704-T707 PolarHBondContact OD2-OG1 2.9Å; T707-L709 VanDerWaalsContact C-N 3.29Å; T707-L709 PolarHBondContact O-N 3.17Å; T707-S710 PolarHBondContact O-N 3.19Å; T707-S710 PolarHBondContact O-OG 3.36Å |
| 708 | L | 93.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -52 | -48.6 | 172.6 | 179.1 | 73.6 | 0 | 0 | 0 | 111.4 | W672 V701 D704 T705 H714 L718 | W672-L708 HydrophobicContact CH2-CB 3.87Å; W672-L708 HydrophobicContact CH2-CD1 4.07Å; W672-L708 HydrophobicContact CZ2-CB 4.49Å; W672-L708 HydrophobicContact CZ3-CD1 4.32Å; V701-L708 HydrophobicContact CB-CD2 4.49Å; V701-L708 HydrophobicContact CG1-CD2 4.37Å; V701-L708 HydrophobicContact CG2-CD2 4.25Å; D704-L708 PolarHBondContact O-N 3.41Å; D704-L708 VanDerWaalsContact O-N 3.11Å; T705-L708 WeakPolarHBondContact O-CB 3.4Å; T705-L708 PolarHBondContact O-N 3.29Å; L708-H714 HydrophobicContact CD1-CB 3.75Å; L708-L718 HydrophobicContact CD1-CD1 3.83Å |
| 709 | L | 92.3 | Very high | 93 | Very high | 55 Ų | 55 | 45.2 Ų | 45.2 | 29% | 0.288 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -78.9 | -22.2 | -177 | -65.3 | 175.8 | 0 | 0 | 0 | 113.5 | T705 D706 T707 N711 R752 I754 | T705-L709 HydrophobicContact CG2-CD1 4.03Å; T705-L709 HydrophobicContact CG2-CG 4.35Å; T705-L709 VanDerWaalsContact O-CG 3.3Å; T705-L709 WeakPolarHBondContact O-CG 3.43Å; T705-L709 PolarHBondContact O-N 3.42Å; D706-L709 PolarHBondContact O-N 2.93Å; T707-L709 VanDerWaalsContact C-N 3.29Å; T707-L709 PolarHBondContact O-N 3.17Å; L709-N711 VanDerWaalsContact C-N 3.3Å; L709-N711 PolarHBondContact O-N 3.19Å; L709-R752 HydrophobicContact CD1-CB 3.59Å; L709-R752 HydrophobicContact CD1-CG 4.41Å; L709-I754 HydrophobicContact CD2-CG2 3.6Å |
| 710 | S | 91.4 | Very high | 93 | Very high | 88 Ų | 88 | 45.6 Ų | 45.6 | 62% | 0.615 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -66.3 | -30.1 | 178.7 | 76.9 | 0 | 0 | 0 | 0 | 113.4 | D706 T707 | D706-S710 WeakPolarHBondContact O-CB 3.46Å; D706-S710 PolarHBondContact O-N 3.01Å; T707-S710 PolarHBondContact O-N 3.19Å; T707-S710 PolarHBondContact O-OG 3.36Å |
| 711 | N | 89.9 | Confident | 92.9 | Very high | 54 Ų | 54 | 45.6 Ų | 45.6 | 29% | 0.289 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -120.7 | 109.4 | -179.4 | -177.9 | 4.3 | 0 | 0 | 0 | 110.5 | L709 K713 H714 | L709-N711 VanDerWaalsContact C-N 3.3Å; L709-N711 PolarHBondContact O-N 3.19Å; N711-K713 PolarHBondContact O-N 3.33Å; N711-K713 WeakPolarHBondContact OD1-CB 3.23Å; N711-K713 PolarHBondContact OD1-N 3.49Å; N711-H714 PolarHBondContact ND2-CD2 3.26Å; N711-H714 PolarHBondContact ND2-NE2 3.39Å; N711-H714 PolarHBondContact O-N 3.43Å |
| 712 | P | 87.1 | Confident | 92.9 | Very high | 97 Ų | 97 | 45.6 Ų | 45.6 | 63% | 0.63 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -60.7 | -22.4 | -175.5 | 25.6 | -34.8 | 0 | 0 | 0 | 113.3 | H714 E716 | P712-H714 VanDerWaalsContact C-N 3.31Å; P712-H714 PolarHBondContact O-N 3.46Å; P712-E716 PolarHBondContact O-N 3.07Å; P712-E716 VanDerWaalsContact O-N 3.15Å |
| 713 | K | 90.9 | Very high | 93 | Very high | 137 Ų | 137 | 49.8 Ų | 49.8 | 60% | 0.596 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -63.6 | -32.6 | 176.8 | -68.3 | -172 | 173 | -171.3 | 0 | 113.3 | N711 E716 I717 | N711-K713 PolarHBondContact O-N 3.33Å; N711-K713 WeakPolarHBondContact OD1-CB 3.23Å; N711-K713 PolarHBondContact OD1-N 3.49Å; K713-E716 PolarHBondContact O-N 3.34Å; K713-I717 VanDerWaalsContact O-CG1 3.29Å; K713-I717 WeakPolarHBondContact O-CG1 3.42Å; K713-I717 PolarHBondContact O-N 2.61Å |
| 714 | H | 93.4 | Very high | 92.9 | Very high | 22 Ų | 22 | 49.2 Ų | 49.2 | 10% | 0.102 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.9 | -46.9 | -177.8 | -60.5 | 167.3 | 0 | 0 | 0 | 110.6 | W672 L675 L708 N711 P712 E716 I717 L718 | W672-H714 AromaticContact CD2-CE1 3.8Å; W672-H714 AromaticContact CE3-CE1 3.38Å; W672-H714 AromaticContact CE3-CG 3.87Å; W672-H714 AromaticContact CE3-ND1 3.38Å; W672-H714 AromaticContact CE3-NE2 3.92Å; W672-H714 AromaticContact CH2-ND1 3.93Å; W672-H714 HydrophobicContact CZ3-CB 3.98Å; W672-H714 AromaticContact CZ3-CE1 3.83Å; W672-H714 AromaticContact CZ3-CG 3.67Å; W672-H714 AromaticContact CZ3-ND1 3.3Å; W672-H714 VanDerWaalsContact CZ3-ND1 3.3Å; W672-H714 WeakPolarHBondContact CZ3-ND1 3.35Å; L675-H714 HydrophobicContact CD2-CB 4.37Å; L708-H714 HydrophobicContact CD1-CB 3.75Å; N711-H714 PolarHBondContact ND2-CD2 3.26Å; N711-H714 PolarHBondContact ND2-NE2 3.39Å; N711-H714 PolarHBondContact O-N 3.43Å; P712-H714 VanDerWaalsContact C-N 3.31Å; P712-H714 PolarHBondContact O-N 3.46Å; H714-E716 VanDerWaalsContact C-N 3.32Å; H714-E716 PolarHBondContact O-N 3.14Å; H714-I717 WeakPolarHBondContact O-CB 3.13Å; H714-I717 PolarHBondContact O-N 3.39Å; H714-L718 PolarHBondContact O-N 2.71Å |
| 715 | L | 92.1 | Very high | 92.9 | Very high | 18 Ų | 18 | 47.5 Ų | 47.5 | 9% | 0.094 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.9 | -35.4 | 176.1 | -169.5 | 64.2 | 0 | 0 | 0 | 112.2 | F719 I745 I754 C757 F761 | L715-F719 WeakPolarHBondContact O-CB 3.24Å; L715-F719 PolarHBondContact O-N 2.74Å; L715-I745 HydrophobicContact CD1-CD1 4.36Å; L715-I745 HydrophobicContact CD1-CG2 3.72Å; L715-I754 HydrophobicContact CD2-CG2 4.27Å; L715-C757 HydrophobicContact CD2-CB 4.49Å; L715-C757 VanDerWaalsContact CD2-SG 3.51Å; L715-F761 HydrophobicContact CD1-CZ 4.49Å |
| 716 | E | 93.6 | Very high | 92.9 | Very high | 122 Ų | 122 | 47.2 Ų | 47.2 | 57% | 0.57 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -62.7 | -41 | 174.3 | -175 | -179.6 | -176.9 | 0 | 0 | 112.3 | P712 K713 H714 T720 | P712-E716 PolarHBondContact O-N 3.07Å; P712-E716 VanDerWaalsContact O-N 3.15Å; K713-E716 PolarHBondContact O-N 3.34Å; H714-E716 VanDerWaalsContact C-N 3.32Å; H714-E716 PolarHBondContact O-N 3.14Å; E716-T720 VanDerWaalsContact O-CB 3.28Å; E716-T720 WeakPolarHBondContact O-CB 3.43Å; E716-T720 PolarHBondContact O-N 3.38Å; E716-T720 PolarHBondContact O-OG1 3.41Å |
| 717 | I | 95.1 | Very high | 92.7 | Very high | 26 Ų | 26 | 44.3 Ų | 44.3 | 13% | 0.133 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60 | -55.5 | 175.2 | -75 | 165 | 0 | 0 | 0 | 110.2 | L675 Y679 K713 H714 F719 T720 M721 | L675-I717 HydrophobicContact CD1-CG2 4.09Å; L675-I717 HydrophobicContact CG-CG2 4.15Å; Y679-I717 HydrophobicContact CD1-CG1 4.26Å; Y679-I717 HydrophobicContact CD2-CB 4.44Å; Y679-I717 HydrophobicContact CD2-CG1 4.44Å; Y679-I717 HydrophobicContact CD2-CG2 3.77Å; Y679-I717 HydrophobicContact CG-CB 4.5Å; Y679-I717 HydrophobicContact CG-CG1 4.13Å; Y679-I717 HydrophobicContact CG-CG2 3.84Å; K713-I717 VanDerWaalsContact O-CG1 3.29Å; K713-I717 WeakPolarHBondContact O-CG1 3.42Å; K713-I717 PolarHBondContact O-N 2.61Å; H714-I717 WeakPolarHBondContact O-CB 3.13Å; H714-I717 PolarHBondContact O-N 3.39Å; I717-F719 VanDerWaalsContact C-N 3.34Å; I717-F719 PolarHBondContact O-N 3.11Å; I717-T720 PolarHBondContact O-N 3.29Å; I717-T720 VanDerWaalsContact O-N 3.07Å; I717-M721 HydrophobicContact CG2-SD 4.07Å; I717-M721 WeakPolarHBondContact O-CG 3.29Å; I717-M721 PolarHBondContact O-N 3.11Å |
| 718 | L | 95.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.4 | -46.9 | -179.1 | -63.4 | -178.9 | 0 | 0 | 0 | 111.5 | L675 L697 V701 L708 H714 T720 M721 C722 I745 | L675-L718 HydrophobicContact CD1-CD2 4.16Å; L697-L718 HydrophobicContact CB-CD2 4.33Å; L697-L718 HydrophobicContact CD2-CD2 3.7Å; L697-L718 HydrophobicContact CG-CD2 4.41Å; V701-L718 HydrophobicContact CG2-CD1 3.57Å; L708-L718 HydrophobicContact CD1-CD1 3.83Å; H714-L718 PolarHBondContact O-N 2.71Å; L718-T720 VanDerWaalsContact C-N 3.32Å; L718-T720 PolarHBondContact O-N 3.03Å; L718-M721 PolarHBondContact O-N 3.42Å; L718-C722 PolarHBondContact O-N 2.67Å; L718-C722 PolarHBondContact O-SG 3.2Å; L718-C722 VanDerWaalsContact O-SG 3.4Å; L718-I745 HydrophobicContact CB-CD1 4.26Å; L718-I745 HydrophobicContact CD1-CD1 4.18Å |
| 719 | F | 95.2 | Very high | 91.5 | Very high | 29 Ų | 29 | 50.9 Ų | 50.9 | 13% | 0.127 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.2 | -41.1 | 176.8 | 173.3 | -111.1 | 0 | 0 | 0 | 112.4 | L715 I717 M721 C722 R723 L742 L760 F761 L764 | L715-F719 WeakPolarHBondContact O-CB 3.24Å; L715-F719 PolarHBondContact O-N 2.74Å; I717-F719 VanDerWaalsContact C-N 3.34Å; I717-F719 PolarHBondContact O-N 3.11Å; F719-M721 VanDerWaalsContact C-N 3.33Å; F719-M721 PolarHBondContact O-N 2.66Å; F719-C722 PolarHBondContact O-N 3.22Å; F719-R723 VanDerWaalsContact O-CB 3.27Å; F719-R723 WeakPolarHBondContact O-CB 3.47Å; F719-R723 PolarHBondContact O-N 3.45Å; F719-L742 HydrophobicContact CD2-CD2 4.36Å; F719-L760 HydrophobicContact CE2-CB 4.12Å; F719-L760 HydrophobicContact CZ-CB 3.88Å; F719-F761 HydrophobicContact CB-CE1 4.04Å; F719-F761 AromaticContact CD2-CD1 3.44Å; F719-F761 HydrophobicContact CD2-CD1 3.44Å; F719-F761 VanDerWaalsContact CD2-CD1 3.44Å; F719-F761 AromaticContact CD2-CE1 3.32Å; F719-F761 HydrophobicContact CD2-CE1 3.32Å; F719-F761 AromaticContact CE2-CD1 3.69Å; F719-F761 HydrophobicContact CE2-CD1 3.69Å; F719-F761 HydrophobicContact CE2-CE1 4.03Å; F719-F761 HydrophobicContact CG-CD1 4.41Å; F719-F761 AromaticContact CG-CE1 3.9Å; F719-F761 HydrophobicContact CG-CE1 3.9Å; F719-L764 HydrophobicContact CE2-CD2 3.87Å |
| 720 | T | 94.6 | Very high | 90.9 | Very high | 16 Ų | 16 | 49.3 Ų | 49.3 | 10% | 0.098 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.5 | -36 | -179.5 | -59.8 | 0 | 0 | 0 | 0 | 111.7 | Y679 E716 I717 L718 K724 | Y679-T720 HydrophobicContact CE2-CG2 3.88Å; Y679-T720 WeakPolarHBondContact OH-CG2 3.02Å; E716-T720 VanDerWaalsContact O-CB 3.28Å; E716-T720 WeakPolarHBondContact O-CB 3.43Å; E716-T720 PolarHBondContact O-N 3.38Å; E716-T720 PolarHBondContact O-OG1 3.41Å; I717-T720 PolarHBondContact O-N 3.29Å; I717-T720 VanDerWaalsContact O-N 3.07Å; L718-T720 VanDerWaalsContact C-N 3.32Å; L718-T720 PolarHBondContact O-N 3.03Å; T720-K724 PolarHBondContact O-N 3.34Å |
| 721 | M | 94.7 | Very high | 90.6 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.4 | -54.9 | 172.5 | -66 | 175.8 | 73.4 | 0 | 0 | 110.8 | Y679 F682 F690 M693 L697 I717 L718 F719 R723 K724 V725 | Y679-M721 HydrophobicContact CD2-CG 3.85Å; Y679-M721 HydrophobicContact CD2-SD 4.33Å; Y679-M721 HydrophobicContact CE2-CG 4.35Å; F682-M721 HydrophobicContact CB-CE 4.15Å; F682-M721 HydrophobicContact CD1-CB 4.36Å; F682-M721 HydrophobicContact CD1-CE 4.17Å; F682-M721 HydrophobicContact CD1-CG 3.82Å; F682-M721 HydrophobicContact CD2-CE 3.73Å; F682-M721 HydrophobicContact CE1-CB 3.92Å; F682-M721 HydrophobicContact CE1-CG 3.9Å; F682-M721 HydrophobicContact CE2-CE 4.12Å; F682-M721 HydrophobicContact CG-CE 3.76Å; F682-M721 HydrophobicContact CG-CG 4.37Å; F682-M721 HydrophobicContact CZ-CB 4.21Å; F690-M721 HydrophobicContact CE2-CB 4.1Å; M693-M721 HydrophobicContact SD-CE 3.68Å; L697-M721 HydrophobicContact CD1-CE 3.92Å; L697-M721 HydrophobicContact CD1-SD 4.38Å; L697-M721 HydrophobicContact CD2-CE 4.35Å; L697-M721 HydrophobicContact CD2-SD 4.33Å; I717-M721 HydrophobicContact CG2-SD 4.07Å; I717-M721 WeakPolarHBondContact O-CG 3.29Å; I717-M721 PolarHBondContact O-N 3.11Å; L718-M721 PolarHBondContact O-N 3.42Å; F719-M721 VanDerWaalsContact C-N 3.33Å; F719-M721 PolarHBondContact O-N 2.66Å; M721-R723 VanDerWaalsContact C-N 3.25Å; M721-R723 PolarHBondContact O-N 3.06Å; M721-K724 PolarHBondContact O-N 3.42Å; M721-V725 PolarHBondContact O-N 2.89Å; M721-V725 VanDerWaalsContact O-N 3.1Å |
| 722 | C | 95.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -53.8 | -42.2 | 175.9 | -67.8 | 0 | 0 | 0 | 0 | 112.3 | L718 F719 V725 L726 A738 L742 | L718-C722 PolarHBondContact O-N 2.67Å; L718-C722 PolarHBondContact O-SG 3.2Å; L718-C722 VanDerWaalsContact O-SG 3.4Å; F719-C722 PolarHBondContact O-N 3.22Å; C722-V725 PolarHBondContact O-N 3.05Å; C722-L726 WeakPolarHBondContact O-CB 3.38Å; C722-L726 WeakPolarHBondContact O-CG 3.39Å; C722-L726 PolarHBondContact O-N 3.31Å; C722-A738 HydrophobicContact CB-CB 4.33Å; C722-L742 HydrophobicContact CB-CD1 4.32Å; C722-L742 HydrophobicContact CB-CD2 3.94Å; C722-L742 HydrophobicContact CB-CG 4.08Å |
| 723 | R | 94.3 | Very high | 90.6 | Very high | 116 Ų | 116 | 45.6 Ų | 45.6 | 44% | 0.438 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.3 | -41.7 | 177.3 | -175.5 | -177.7 | 67.6 | -170.5 | -4.5 | 112.1 | F719 M721 V725 C727 L764 | F719-R723 VanDerWaalsContact O-CB 3.27Å; F719-R723 WeakPolarHBondContact O-CB 3.47Å; F719-R723 PolarHBondContact O-N 3.45Å; M721-R723 VanDerWaalsContact C-N 3.25Å; M721-R723 PolarHBondContact O-N 3.06Å; R723-V725 VanDerWaalsContact C-N 3.34Å; R723-C727 WeakPolarHBondContact O-CB 3.41Å; R723-C727 PolarHBondContact O-N 3.32Å; R723-C727 PolarHBondContact O-SG 3.44Å; R723-L764 HydrophobicContact CB-CD1 4.4Å; R723-L764 HydrophobicContact CB-CD2 3.93Å; R723-L764 HydrophobicContact CG-CD1 3.96Å; R723-L764 HydrophobicContact CG-CD2 4.35Å |
| 724 | K | 92.2 | Very high | 90.5 | Very high | 54 Ų | 54 | 39.2 Ų | 39.2 | 24% | 0.235 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.1 | -43.1 | 178.7 | -171.6 | 175.8 | 177 | -177.9 | 0 | 110.6 | F682 Q683 T720 M721 G728 | F682-K724 HydrophobicContact CD1-CD 4.22Å; F682-K724 HydrophobicContact CE1-CB 3.99Å; F682-K724 HydrophobicContact CE1-CD 3.67Å; F682-K724 HydrophobicContact CE1-CG 4.25Å; F682-K724 HydrophobicContact CZ-CB 4.5Å; F682-K724 HydrophobicContact CZ-CD 4.44Å; F682-K724 PolarHBondContact O-NZ 3.31Å; Q683-K724 PolarHBondContact O-NZ 3.19Å; T720-K724 PolarHBondContact O-N 3.34Å; M721-K724 PolarHBondContact O-N 3.42Å; K724-G728 WeakPolarHBondContact O-CA 3.15Å; K724-G728 PolarHBondContact O-N 3.35Å |
| 725 | V | 92.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.4 | -56.7 | 177.1 | -178.8 | 0 | 0 | 0 | 0 | 111.2 | F682 F690 M721 C722 R723 C727 G728 A730 A734 E735 A738 | F682-V725 HydrophobicContact CE2-CG2 4.43Å; F682-V725 HydrophobicContact CZ-CG2 3.82Å; F690-V725 HydrophobicContact CB-CG2 3.94Å; F690-V725 HydrophobicContact CD1-CG2 4.15Å; F690-V725 HydrophobicContact CD2-CG2 3.53Å; F690-V725 HydrophobicContact CE2-CG2 4.05Å; F690-V725 HydrophobicContact CG-CG2 3.58Å; M721-V725 PolarHBondContact O-N 2.89Å; M721-V725 VanDerWaalsContact O-N 3.1Å; C722-V725 PolarHBondContact O-N 3.05Å; R723-V725 VanDerWaalsContact C-N 3.34Å; V725-C727 PolarHBondContact O-N 2.97Å; V725-C727 VanDerWaalsContact O-N 3.14Å; V725-G728 PolarHBondContact O-N 3.16Å; V725-G728 VanDerWaalsContact O-N 3.08Å; V725-A730 HydrophobicContact CG1-CB 3.88Å; V725-A734 HydrophobicContact CG1-CB 3.87Å; V725-A734 WeakPolarHBondContact CG1-O 3.36Å; V725-E735 HydrophobicContact CG1-CG 4.15Å; V725-A738 HydrophobicContact CB-CB 3.97Å; V725-A738 HydrophobicContact CG1-CB 3.9Å |
| 726 | L | 91.3 | Very high | 90.6 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.3 | -17.4 | -177.4 | -71.7 | 166.8 | 0 | 0 | 0 | 114.2 | C722 E735 A738 L742 L764 V765 R768 | C722-L726 WeakPolarHBondContact O-CB 3.38Å; C722-L726 WeakPolarHBondContact O-CG 3.39Å; C722-L726 PolarHBondContact O-N 3.31Å; L726-E735 HydrophobicContact CD2-CB 4Å; L726-E735 HydrophobicContact CD2-CG 4.37Å; L726-A738 HydrophobicContact CD1-CB 4.25Å; L726-A738 HydrophobicContact CD2-CB 4.47Å; L726-A738 HydrophobicContact CG-CB 3.96Å; L726-L742 HydrophobicContact CD1-CD1 3.88Å; L726-L764 HydrophobicContact CB-CD1 4.15Å; L726-L764 HydrophobicContact CB-CG 4.25Å; L726-L764 HydrophobicContact CD1-CD2 3.81Å; L726-L764 HydrophobicContact CD1-CG 3.9Å; L726-V765 HydrophobicContact CD1-CG1 4.3Å; L726-R768 HydrophobicContact CD2-CG 4.16Å; L726-R768 WeakPolarHBondContact O-CD 3.35Å |
| 727 | C | 89.4 | Confident | 90.6 | Very high | 49 Ų | 49 | 32.5 Ų | 32.5 | 33% | 0.331 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -99.9 | -15.5 | 175 | -67.1 | 0 | 0 | 0 | 0 | 113.8 | R723 V725 R771 | R723-C727 WeakPolarHBondContact O-CB 3.41Å; R723-C727 PolarHBondContact O-N 3.32Å; R723-C727 PolarHBondContact O-SG 3.44Å; V725-C727 PolarHBondContact O-N 2.97Å; V725-C727 VanDerWaalsContact O-N 3.14Å; C727-R771 PolarHBondContact O-NH1 3.36Å |
| 728 | G | 83 | Confident | 90.6 | Very high | 37 Ų | 37 | 31.3 Ų | 31.3 | 38% | 0.381 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -159.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | K724 V725 | K724-G728 WeakPolarHBondContact O-CA 3.15Å; K724-G728 PolarHBondContact O-N 3.35Å; V725-G728 PolarHBondContact O-N 3.16Å; V725-G728 VanDerWaalsContact O-N 3.08Å |
| 729 | D | 78.1 | Confident | 90.6 | Very high | 147 Ų | 147 | 31.3 Ų | 31.3 | 79% | 0.786 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -121 | 56.8 | 175 | -164.9 | 18.3 | 0 | 0 | 0 | 109.1 | G731 | D729-G731 VanDerWaalsContact C-N 3.33Š|
| 730 | A | 79 | Confident | 90.7 | Very high | 22 Ų | 22 | 30 Ų | 30 | 18% | 0.182 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -85.3 | -4.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | F687 V725 A734 | F687-A730 HydrophobicContact CD2-CB 3.91Å; F687-A730 HydrophobicContact CE2-CB 4.03Å; V725-A730 HydrophobicContact CG1-CB 3.88Å; A730-A734 HydrophobicContact CB-CB 3.96Å |
| 731 | G | 85.2 | Confident | 90.8 | Very high | 36 Ų | 36 | 29.3 Ų | 29.3 | 37% | 0.371 | 17% | 0.168 | S | C | . | . | trans | 87.6 | 152.9 | -168.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | D729 D733 E735 | D729-G731 VanDerWaalsContact C-N 3.33Å; G731-D733 VanDerWaalsContact C-N 3.27Å; G731-D733 PolarHBondContact O-N 3.01Å; G731-E735 WeakPolarHBondContact O-CG 3.43Å; G731-E735 PolarHBondContact O-N 3.21Å | ||
| 732 | E | 87.2 | Confident | 90.9 | Very high | 35 Ų | 35 | 29.2 Ų | 29.2 | 16% | 0.164 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.1 | -25.5 | -174.2 | -64.3 | -164.6 | 162.5 | 0 | 0 | 112.9 | E735 C736 R768 K774 T775 L778 | E732-E735 PolarHBondContact O-N 3.16Å; E732-C736 PolarHBondContact O-N 3.15Å; E732-C736 PolarHBondContact O-SG 2.63Å; E732-R768 IonicContact OE1-NH2 2.96Å; E732-K774 WeakPolarHBondContact OE1-CB 3.44Å; E732-K774 PolarHBondContact OE1-N 3.38Å; E732-T775 WeakPolarHBondContact OE2-CB 3.42Å; E732-T775 WeakPolarHBondContact OE2-CG2 3.42Å; E732-T775 PolarHBondContact OE2-N 3.4Å; E732-T775 PolarHBondContact OE2-OG1 3.09Å; E732-L778 HydrophobicContact CB-CD2 3.96Å; E732-L778 HydrophobicContact CG-CD2 3.85Å |
| 733 | D | 89.3 | Confident | 91 | Very high | 89 Ų | 89 | 29.3 Ų | 29.3 | 48% | 0.476 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -64.2 | -53.6 | 176 | 178.1 | 64.2 | 0 | 0 | 0 | 112.5 | T691 G731 E735 C736 H737 | T691-D733 PolarHBondContact OG1-OD2 3.05Å; G731-D733 VanDerWaalsContact C-N 3.27Å; G731-D733 PolarHBondContact O-N 3.01Å; D733-E735 PolarHBondContact O-N 3.37Å; D733-C736 VanDerWaalsContact O-CB 3.29Å; D733-C736 WeakPolarHBondContact O-CB 3.35Å; D733-C736 PolarHBondContact O-N 2.92Å; D733-H737 PolarHBondContact O-N 3.42Å; D733-H737 VanDerWaalsContact O-N 3.09Å; D733-H737 PolarHBondContact O-ND1 3.11Å; D733-H737 IonicContact OD1-CE1 2.8Å; D733-H737 PolarHBondContact OD1-CE1 3.25Å; D733-H737 VanDerWaalsContact OD1-CE1 3.24Å; D733-H737 IonicContact OD1-ND1 3.24Å; D733-H737 IonicContact OD2-CE1 4Å; D733-H737 IonicContact OD2-ND1 3.06Å |
| 734 | A | 90.3 | Very high | 91.1 | Very high | 3 Ų | 3 | 23.8 Ų | 23.8 | 3% | 0.025 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.9 | -36.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F690 V725 A730 H737 A738 | F690-A734 HydrophobicContact CB-CB 4.42Å; V725-A734 HydrophobicContact CG1-CB 3.87Å; V725-A734 WeakPolarHBondContact CG1-O 3.36Å; A730-A734 HydrophobicContact CB-CB 3.96Å; A734-H737 PolarHBondContact O-N 3.1Å; A734-A738 WeakPolarHBondContact O-CB 3.48Å; A734-A738 PolarHBondContact O-N 3.33Å |
| 735 | E | 92.8 | Very high | 91.3 | Very high | 7 Ų | 7 | 21.2 Ų | 21.2 | 3% | 0.033 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.6 | -38.6 | 175 | -68.6 | 177.8 | 144.7 | 0 | 0 | 112.7 | V725 L726 G731 E732 D733 A738 A739 R768 L778 | V725-E735 HydrophobicContact CG1-CG 4.15Å; L726-E735 HydrophobicContact CD2-CB 4Å; L726-E735 HydrophobicContact CD2-CG 4.37Å; G731-E735 WeakPolarHBondContact O-CG 3.43Å; G731-E735 PolarHBondContact O-N 3.21Å; E732-E735 PolarHBondContact O-N 3.16Å; D733-E735 PolarHBondContact O-N 3.37Å; E735-A738 PolarHBondContact O-N 3.06Å; E735-A739 PolarHBondContact O-N 3.16Å; E735-R768 IonicContact OE1-CZ 3.28Å; E735-R768 IonicContact OE1-NE 2.68Å; E735-R768 PolarHBondContact OE1-NE 2.87Å; E735-R768 IonicContact OE1-NH2 3.57Å; E735-R768 PolarHBondContact OE1-NH2 2.82Å; E735-R768 IonicContact OE2-CZ 2.7Å; E735-R768 VanDerWaalsContact OE2-CZ 3.26Å; E735-R768 IonicContact OE2-NE 3.83Å; E735-R768 PolarHBondContact OE2-NE 3.36Å; E735-R768 IonicContact OE2-NH2 3.26Å; E735-R768 PolarHBondContact OE2-NH2 3.31Å; E735-L778 HydrophobicContact CB-CD1 3.68Å; E735-L778 HydrophobicContact CB-CD2 4.03Å; E735-L778 WeakPolarHBondContact OE2-CD2 3.33Å |
| 736 | C | 93.1 | Very high | 91.4 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.014 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.5 | -48.9 | 172 | -73.7 | 0 | 0 | 0 | 0 | 111.1 | E732 D733 A738 A739 K740 L778 M781 L942 | E732-C736 PolarHBondContact O-N 3.15Å; E732-C736 PolarHBondContact O-SG 2.63Å; D733-C736 VanDerWaalsContact O-CB 3.29Å; D733-C736 WeakPolarHBondContact O-CB 3.35Å; D733-C736 PolarHBondContact O-N 2.92Å; C736-A738 VanDerWaalsContact C-N 3.31Å; C736-A738 PolarHBondContact O-N 2.96Å; C736-A739 PolarHBondContact O-N 3.18Å; C736-K740 WeakPolarHBondContact O-CB 3.19Å; C736-K740 PolarHBondContact O-N 3.26Å; C736-L778 WeakPolarHBondContact SG-CA 3.22Å; C736-M781 HydrophobicContact CB-CG 4.35Å; C736-L942 HydrophobicContact CB-CD1 3.9Å |
| 737 | H | 94.7 | Very high | 91.6 | Very high | 13 Ų | 13 | 21.5 Ų | 21.5 | 6% | 0.06 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.1 | -41 | 176.8 | -70.4 | 82.5 | 0 | 0 | 0 | 111.8 | F690 M694 D733 A734 K740 L741 F945 | F690-H737 HydrophobicContact CD1-CB 4.06Å; F690-H737 HydrophobicContact CE1-CB 3.91Å; M694-H737 HydrophobicContact CB-CB 4.44Å; M694-H737 HydrophobicContact CG-CB 4.26Å; D733-H737 PolarHBondContact O-N 3.42Å; D733-H737 VanDerWaalsContact O-N 3.09Å; D733-H737 PolarHBondContact O-ND1 3.11Å; D733-H737 IonicContact OD1-CE1 2.8Å; D733-H737 PolarHBondContact OD1-CE1 3.25Å; D733-H737 VanDerWaalsContact OD1-CE1 3.24Å; D733-H737 IonicContact OD1-ND1 3.24Å; D733-H737 IonicContact OD2-CE1 4Å; D733-H737 IonicContact OD2-ND1 3.06Å; A734-H737 PolarHBondContact O-N 3.1Å; H737-K740 PolarHBondContact O-N 2.93Å; H737-L741 PolarHBondContact O-N 3.4Å; H737-F945 AromaticContact CD2-CE2 3.62Å; H737-F945 AromaticContact NE2-CE2 3.87Å |
| 738 | A | 95.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.5 | -41.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F690 C722 V725 L726 A734 E735 C736 L741 L742 | F690-A738 HydrophobicContact CD1-CB 4.42Å; F690-A738 VanDerWaalsContact CE1-CA 3.48Å; F690-A738 HydrophobicContact CE1-CB 3.72Å; F690-A738 HydrophobicContact CZ-CB 3.93Å; C722-A738 HydrophobicContact CB-CB 4.33Å; V725-A738 HydrophobicContact CB-CB 3.97Å; V725-A738 HydrophobicContact CG1-CB 3.9Å; L726-A738 HydrophobicContact CD1-CB 4.25Å; L726-A738 HydrophobicContact CD2-CB 4.47Å; L726-A738 HydrophobicContact CG-CB 3.96Å; A734-A738 WeakPolarHBondContact O-CB 3.48Å; A734-A738 PolarHBondContact O-N 3.33Å; E735-A738 PolarHBondContact O-N 3.06Å; C736-A738 VanDerWaalsContact C-N 3.31Å; C736-A738 PolarHBondContact O-N 2.96Å; A738-L741 PolarHBondContact O-N 3.36Å; A738-L742 WeakPolarHBondContact O-CG 3.23Å; A738-L742 PolarHBondContact O-N 2.98Å |
| 739 | A | 95.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.3 | -43 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | E735 C736 L741 L742 E743 M781 V785 | E735-A739 PolarHBondContact O-N 3.16Å; C736-A739 PolarHBondContact O-N 3.18Å; A739-L741 VanDerWaalsContact C-N 3.34Å; A739-L741 PolarHBondContact O-N 3.15Å; A739-L742 WeakPolarHBondContact O-CB 3.18Å; A739-L742 PolarHBondContact O-N 3.32Å; A739-E743 PolarHBondContact O-N 2.85Å; A739-M781 HydrophobicContact CB-CB 3.93Å; A739-V785 HydrophobicContact CB-CG2 4.22Å; A739-V785 WeakPolarHBondContact O-CG2 3.49Å |
| 740 | K | 95.7 | Very high | 92.9 | Very high | 3 Ų | 3 | 15.7 Ų | 15.7 | 1% | 0.013 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.5 | -42.5 | 176.2 | -174.7 | 60.4 | 177.6 | -179.8 | 0 | 112 | M694 C736 H737 L742 E743 V744 H832 L942 F945 | M694-K740 HydrophobicContact CE-CB 4.45Å; M694-K740 HydrophobicContact CE-CG 4.3Å; C736-K740 WeakPolarHBondContact O-CB 3.19Å; C736-K740 PolarHBondContact O-N 3.26Å; H737-K740 PolarHBondContact O-N 2.93Å; K740-L742 VanDerWaalsContact C-N 3.34Å; K740-L742 PolarHBondContact O-N 3.09Å; K740-E743 WeakPolarHBondContact CD-OE2 3.3Å; K740-E743 IonicContact NZ-OE2 3.62Å; K740-E743 PolarHBondContact NZ-OE2 3.38Å; K740-E743 WeakPolarHBondContact O-CB 3.31Å; K740-E743 PolarHBondContact O-N 3.35Å; K740-V744 HydrophobicContact CG-CG2 4.47Å; K740-V744 VanDerWaalsContact O-CG2 3.26Å; K740-V744 WeakPolarHBondContact O-CG2 3.45Å; K740-V744 PolarHBondContact O-N 3.05Å; K740-H832 PolarHBondContact NZ-CD2 3.42Å; K740-H832 PolarHBondContact NZ-NE2 3.08Å; K740-H832 VanDerWaalsContact NZ-NE2 3.2Å; K740-L942 HydrophobicContact CB-CD2 4.27Å; K740-L942 HydrophobicContact CG-CB 4.39Å; K740-L942 HydrophobicContact CG-CD2 4.45Å; K740-F945 HydrophobicContact CG-CB 4.21Å; K740-F945 HydrophobicContact CG-CD2 4.33Å |
| 741 | L | 97.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.5 | -41.3 | 176.4 | -171.7 | 55.8 | 0 | 0 | 0 | 112.4 | F690 M694 L697 V701 H737 A738 A739 E743 V744 I745 | F690-L741 HydrophobicContact CZ-CD2 4.17Å; M694-L741 HydrophobicContact CE-CB 3.77Å; M694-L741 HydrophobicContact CE-CD1 3.97Å; M694-L741 HydrophobicContact CE-CG 4.41Å; M694-L741 HydrophobicContact SD-CB 3.7Å; M694-L741 HydrophobicContact SD-CD1 3.97Å; M694-L741 HydrophobicContact SD-CD2 4.12Å; M694-L741 HydrophobicContact SD-CG 4.13Å; L697-L741 HydrophobicContact CB-CD1 4.32Å; L697-L741 HydrophobicContact CB-CD2 3.82Å; L697-L741 HydrophobicContact CD1-CD2 3.82Å; L697-L741 HydrophobicContact CG-CD2 4.47Å; V701-L741 HydrophobicContact CG2-CD1 4.21Å; H737-L741 PolarHBondContact O-N 3.4Å; A738-L741 PolarHBondContact O-N 3.36Å; A739-L741 VanDerWaalsContact C-N 3.34Å; A739-L741 PolarHBondContact O-N 3.15Å; L741-E743 VanDerWaalsContact C-N 3.33Å; L741-E743 PolarHBondContact O-N 3.21Å; L741-V744 PolarHBondContact O-N 2.94Å; L741-I745 HydrophobicContact CG-CD1 4.22Å; L741-I745 VanDerWaalsContact O-CG1 3.25Å; L741-I745 WeakPolarHBondContact O-CG1 3.43Å; L741-I745 PolarHBondContact O-N 2.88Å |
| 742 | L | 97.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.3 | -41.4 | 175.2 | -65.6 | 176.1 | 0 | 0 | 0 | 111.5 | F719 C722 L726 A738 A739 K740 I745 I746 F761 L764 V765 V785 | F719-L742 HydrophobicContact CD2-CD2 4.36Å; C722-L742 HydrophobicContact CB-CD1 4.32Å; C722-L742 HydrophobicContact CB-CD2 3.94Å; C722-L742 HydrophobicContact CB-CG 4.08Å; L726-L742 HydrophobicContact CD1-CD1 3.88Å; A738-L742 WeakPolarHBondContact O-CG 3.23Å; A738-L742 PolarHBondContact O-N 2.98Å; A739-L742 WeakPolarHBondContact O-CB 3.18Å; A739-L742 PolarHBondContact O-N 3.32Å; K740-L742 VanDerWaalsContact C-N 3.34Å; K740-L742 PolarHBondContact O-N 3.09Å; L742-I745 PolarHBondContact O-N 3.11Å; L742-I746 VanDerWaalsContact O-CG1 3.26Å; L742-I746 WeakPolarHBondContact O-CG1 3.49Å; L742-I746 PolarHBondContact O-N 2.86Å; L742-I746 VanDerWaalsContact O-N 3.1Å; L742-F761 HydrophobicContact CB-CD2 4.46Å; L742-F761 HydrophobicContact CD2-CD1 3.9Å; L742-F761 HydrophobicContact CD2-CD2 4.07Å; L742-F761 HydrophobicContact CD2-CE1 4.02Å; L742-F761 HydrophobicContact CD2-CE2 4.16Å; L742-F761 HydrophobicContact CD2-CG 3.94Å; L742-F761 HydrophobicContact CD2-CZ 4.14Å; L742-L764 HydrophobicContact CD1-CD2 4.1Å; L742-V765 HydrophobicContact CD1-CG1 4.05Å; L742-V785 HydrophobicContact CB-CG1 4.22Å; L742-V785 HydrophobicContact CB-CG2 4.13Å |
| 743 | E | 96.5 | Very high | 93.3 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.7 | -50.8 | 173.7 | -177.9 | -173.2 | -144.7 | 0 | 0 | 111.4 | A739 K740 L741 I745 I746 L747 V785 A788 H832 | A739-E743 PolarHBondContact O-N 2.85Å; K740-E743 WeakPolarHBondContact CD-OE2 3.3Å; K740-E743 IonicContact NZ-OE2 3.62Å; K740-E743 PolarHBondContact NZ-OE2 3.38Å; K740-E743 WeakPolarHBondContact O-CB 3.31Å; K740-E743 PolarHBondContact O-N 3.35Å; L741-E743 VanDerWaalsContact C-N 3.33Å; L741-E743 PolarHBondContact O-N 3.21Å; E743-I745 VanDerWaalsContact C-N 3.28Å; E743-I745 PolarHBondContact O-N 3.18Å; E743-I746 WeakPolarHBondContact O-CB 3.37Å; E743-I746 PolarHBondContact O-N 3.43Å; E743-L747 HydrophobicContact CG-CD1 3.86Å; E743-L747 HydrophobicContact CG-CG 4.28Å; E743-L747 WeakPolarHBondContact O-CG 3.26Å; E743-L747 PolarHBondContact O-N 3.48Å; E743-V785 HydrophobicContact CB-CG2 4.19Å; E743-A788 HydrophobicContact CG-CB 3.87Å; E743-H832 IonicContact OE1-NE2 3.36Å; E743-H832 PolarHBondContact OE1-NE2 3.05Å; E743-H832 IonicContact OE2-NE2 2.82Å; E743-H832 PolarHBondContact OE2-NE2 2.91Å |
| 744 | V | 96.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -54.3 | -46.4 | 178.7 | 171.8 | 0 | 0 | 0 | 0 | 110.3 | V701 T702 K740 L741 I746 L747 Q748 T947 | V701-V744 HydrophobicContact CB-CG1 4.45Å; V701-V744 HydrophobicContact CG1-CG1 3.97Å; T702-V744 HydrophobicContact CG2-CG1 3.93Å; K740-V744 HydrophobicContact CG-CG2 4.47Å; K740-V744 VanDerWaalsContact O-CG2 3.26Å; K740-V744 WeakPolarHBondContact O-CG2 3.45Å; K740-V744 PolarHBondContact O-N 3.05Å; L741-V744 PolarHBondContact O-N 2.94Å; V744-I746 PolarHBondContact O-N 2.99Å; V744-L747 PolarHBondContact O-N 3.42Å; V744-Q748 WeakPolarHBondContact O-CB 3.44Å; V744-Q748 PolarHBondContact O-N 3.49Å; V744-T947 HydrophobicContact CG2-CG2 4.07Å |
| 745 | I | 96.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.5 | -45.9 | 177.6 | -68 | 165.6 | 0 | 0 | 0 | 111.2 | V701 L715 L718 L741 L742 E743 C749 I754 F761 | V701-I745 HydrophobicContact CG1-CG1 3.93Å; V701-I745 HydrophobicContact CG2-CD1 4.38Å; V701-I745 HydrophobicContact CG2-CG1 3.74Å; L715-I745 HydrophobicContact CD1-CD1 4.36Å; L715-I745 HydrophobicContact CD1-CG2 3.72Å; L718-I745 HydrophobicContact CB-CD1 4.26Å; L718-I745 HydrophobicContact CD1-CD1 4.18Å; L741-I745 HydrophobicContact CG-CD1 4.22Å; L741-I745 VanDerWaalsContact O-CG1 3.25Å; L741-I745 WeakPolarHBondContact O-CG1 3.43Å; L741-I745 PolarHBondContact O-N 2.88Å; L742-I745 PolarHBondContact O-N 3.11Å; E743-I745 VanDerWaalsContact C-N 3.28Å; E743-I745 PolarHBondContact O-N 3.18Å; I745-C749 WeakPolarHBondContact O-CB 3.36Å; I745-C749 PolarHBondContact O-N 2.84Å; I745-C749 PolarHBondContact O-SG 3.17Å; I745-C749 VanDerWaalsContact O-SG 3.37Å; I745-I754 HydrophobicContact CG2-CD1 4.48Å; I745-F761 HydrophobicContact CB-CE2 4.26Å; I745-F761 HydrophobicContact CG2-CE2 3.73Å; I745-F761 HydrophobicContact CG2-CZ 4.15Å |
| 746 | I | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.7 | -47.6 | 179.8 | -67.1 | 166.3 | 0 | 0 | 0 | 110.7 | L742 E743 V744 K750 I758 F761 V785 A788 A789 Y792 | L742-I746 VanDerWaalsContact O-CG1 3.26Å; L742-I746 WeakPolarHBondContact O-CG1 3.49Å; L742-I746 PolarHBondContact O-N 2.86Å; L742-I746 VanDerWaalsContact O-N 3.1Å; E743-I746 WeakPolarHBondContact O-CB 3.37Å; E743-I746 PolarHBondContact O-N 3.43Å; V744-I746 PolarHBondContact O-N 2.99Å; I746-K750 PolarHBondContact O-N 2.95Å; I746-I758 HydrophobicContact CB-CD1 4.49Å; I746-I758 HydrophobicContact CD1-CD1 4.5Å; I746-I758 HydrophobicContact CG1-CD1 3.83Å; I746-I758 HydrophobicContact CG2-CD1 4.16Å; I746-F761 HydrophobicContact CD1-CD2 4.05Å; I746-F761 HydrophobicContact CG1-CD2 3.82Å; I746-F761 HydrophobicContact CG1-CE2 4.31Å; I746-V785 HydrophobicContact CD1-CG1 3.88Å; I746-A788 HydrophobicContact CB-CB 4.33Å; I746-A788 HydrophobicContact CD1-CB 4.43Å; I746-A788 HydrophobicContact CG2-CB 4Å; I746-A788 WeakPolarHBondContact CG2-O 3.5Å; I746-A789 HydrophobicContact CD1-CB 4.49Å; I746-Y792 HydrophobicContact CG2-CD2 4.1Å; I746-Y792 HydrophobicContact CG2-CG 4.23Å |
| 747 | L | 94.6 | Very high | 93.4 | Very high | 8 Ų | 8 | 29.9 Ų | 29.9 | 4% | 0.042 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -71.4 | -44.5 | -175.8 | -65.6 | 179.7 | 0 | 0 | 0 | 112 | E743 V744 C749 K750 A788 Y791 M836 T947 L949 | E743-L747 HydrophobicContact CG-CD1 3.86Å; E743-L747 HydrophobicContact CG-CG 4.28Å; E743-L747 WeakPolarHBondContact O-CG 3.26Å; E743-L747 PolarHBondContact O-N 3.48Å; V744-L747 PolarHBondContact O-N 3.42Å; L747-C749 VanDerWaalsContact C-N 3.34Å; L747-C749 PolarHBondContact O-N 3.37Å; L747-K750 WeakPolarHBondContact O-CB 3.47Å; L747-K750 PolarHBondContact O-N 3.25Å; L747-A788 HydrophobicContact CD2-CB 3.97Å; L747-A788 HydrophobicContact CG-CB 4.16Å; L747-Y791 HydrophobicContact CD2-CD1 3.73Å; L747-Y791 HydrophobicContact CD2-CE1 4.28Å; L747-M836 HydrophobicContact CD1-CE 4.07Å; L747-M836 HydrophobicContact CD1-SD 4.12Å; L747-M836 HydrophobicContact CD2-CE 3.92Å; L747-M836 HydrophobicContact CD2-SD 4.4Å; L747-T947 HydrophobicContact CD1-CG2 3.92Å; L747-L949 HydrophobicContact CD1-CD1 4.09Å; L747-L949 HydrophobicContact CD2-CD1 3.84Å |
| 748 | Q | 94.4 | Very high | 93.4 | Very high | 33 Ų | 33 | 29.3 Ų | 29.3 | 15% | 0.154 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.2 | -40.2 | 178.6 | -173.7 | 67.6 | 7.8 | 0 | 0 | 112.1 | V701 T702 T705 V744 K750 | V701-Q748 HydrophobicContact CG1-CB 4.01Å; V701-Q748 HydrophobicContact CG1-CG 4.05Å; T702-Q748 PolarHBondContact O-NE2 3.35Å; T705-Q748 HydrophobicContact CG2-CG 4.09Å; T705-Q748 WeakPolarHBondContact OG1-CG 3.31Å; T705-Q748 PolarHBondContact OG1-NE2 3.47Å; V744-Q748 WeakPolarHBondContact O-CB 3.44Å; V744-Q748 PolarHBondContact O-N 3.49Å; Q748-K750 VanDerWaalsContact C-N 3.32Å; Q748-K750 PolarHBondContact O-N 3.14Å |
| 749 | C | 93 | Very high | 93.3 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 13.7 | -177 | -59.9 | 0 | 0 | 0 | 0 | 113.6 | I745 L747 G751 R752 I754 | I745-C749 WeakPolarHBondContact O-CB 3.36Å; I745-C749 PolarHBondContact O-N 2.84Å; I745-C749 PolarHBondContact O-SG 3.17Å; I745-C749 VanDerWaalsContact O-SG 3.37Å; L747-C749 VanDerWaalsContact C-N 3.34Å; L747-C749 PolarHBondContact O-N 3.37Å; C749-G751 PolarHBondContact O-N 3.37Å; C749-G751 VanDerWaalsContact O-N 3.17Å; C749-R752 WeakPolarHBondContact O-CB 3.12Å; C749-R752 PolarHBondContact O-N 3.24Å; C749-I754 HydrophobicContact CB-CD1 3.57Å; C749-I754 HydrophobicContact CB-CG1 3.9Å; C749-I754 HydrophobicContact CB-CG2 3.88Å |
| 750 | K | 91.1 | Very high | 93.2 | Very high | 78 Ų | 78 | 35.1 Ų | 35.1 | 34% | 0.339 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 121.8 | 179.8 | -173.8 | 172.2 | 175.4 | 173.4 | 0 | 111.5 | I746 L747 Q748 R752 Y791 Y792 | I746-K750 PolarHBondContact O-N 2.95Å; L747-K750 WeakPolarHBondContact O-CB 3.47Å; L747-K750 PolarHBondContact O-N 3.25Å; Q748-K750 VanDerWaalsContact C-N 3.32Å; Q748-K750 PolarHBondContact O-N 3.14Å; K750-R752 VanDerWaalsContact C-N 3.3Å; K750-R752 PolarHBondContact O-N 3.25Å; K750-Y791 HydrophobicContact CD-CD1 3.88Å; K750-Y791 HydrophobicContact CD-CE1 3.55Å; K750-Y791 WeakPolarHBondContact CE-O 3.48Å; K750-Y791 VanDerWaalsContact NZ-CE2 3.26Å; K750-Y791 PolarHBondContact NZ-O 3.45Å; K750-Y792 HydrophobicContact CB-CD2 4.11Å; K750-Y792 HydrophobicContact CB-CE2 4.45Å; K750-Y792 HydrophobicContact CG-CD2 4.11Å |
| 751 | G | 85.8 | Confident | 93.2 | Very high | 74 Ų | 74 | 35 Ų | 35 | 76% | 0.763 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.5 | 9.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | C749 | C749-G751 PolarHBondContact O-N 3.37Å; C749-G751 VanDerWaalsContact O-N 3.17Å |
| 752 | R | 89.1 | Confident | 93 | Very high | 120 Ų | 120 | 35 Ų | 35 | 45% | 0.453 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -106.1 | 18 | -179.1 | -53.7 | -168.1 | -176.3 | -146.5 | 6.5 | 114.7 | D706 L709 C749 K750 | D706-R752 IonicContact OD1-NH1 2.92Å; D706-R752 PolarHBondContact OD1-NH1 3.06Å; L709-R752 HydrophobicContact CD1-CB 3.59Å; L709-R752 HydrophobicContact CD1-CG 4.41Å; C749-R752 WeakPolarHBondContact O-CB 3.12Å; C749-R752 PolarHBondContact O-N 3.24Å; K750-R752 VanDerWaalsContact C-N 3.3Å; K750-R752 PolarHBondContact O-N 3.25Å |
| 753 | G | 85 | Confident | 92.8 | Very high | 52 Ų | 52 | 38.8 Ų | 38.8 | 54% | 0.536 | 22% | 0.218 | S | C | . | . | S | Bend | trans | 82.8 | 38.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 754 | I | 91.5 | Very high | 92.6 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | trans | -101.6 | 18.3 | 176 | 62.6 | 156.6 | 0 | 0 | 0 | 113.3 | L709 L715 I745 C749 Q756 C757 I758 Y792 | L709-I754 HydrophobicContact CD2-CG2 3.6Å; L715-I754 HydrophobicContact CD2-CG2 4.27Å; I745-I754 HydrophobicContact CG2-CD1 4.48Å; C749-I754 HydrophobicContact CB-CD1 3.57Å; C749-I754 HydrophobicContact CB-CG1 3.9Å; C749-I754 HydrophobicContact CB-CG2 3.88Å; I754-Q756 PolarHBondContact O-N 3.48Å; I754-C757 WeakPolarHBondContact O-CB 3.41Å; I754-C757 PolarHBondContact O-N 3.2Å; I754-I758 HydrophobicContact CD1-CD1 3.84Å; I754-I758 HydrophobicContact CG1-CD1 4.27Å; I754-I758 PolarHBondContact O-N 2.94Å; I754-Y792 HydrophobicContact CD1-CE2 4.01Å; I754-Y792 HydrophobicContact CG1-CE2 3.63Å; I754-Y792 WeakPolarHBondContact CG1-OH 3.35Å; I754-Y792 PolarHBondContact N-OH 3.03Å | ||
| 755 | D | 92.3 | Very high | 92.4 | Very high | 70 Ų | 70 | 39.1 Ų | 39.1 | 37% | 0.374 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -31.4 | -174.8 | -59.8 | -97.8 | 0 | 0 | 0 | 113.9 | C757 P759 L796 | D755-C757 VanDerWaalsContact C-N 3.3Å; D755-C757 PolarHBondContact O-N 3.48Å; D755-P759 WeakPolarHBondContact O-CD 3.49Å; D755-L796 HydrophobicContact CB-CD2 4.05Å |
| 756 | Q | 91 | Very high | 92.1 | Very high | 155 Ų | 155 | 39.5 Ų | 39.5 | 72% | 0.724 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -22.3 | 178.2 | 66.8 | -162.9 | 13.1 | 0 | 0 | 114 | I754 | I754-Q756 PolarHBondContact O-N 3.48Š|
| 757 | C | 92.3 | Very high | 91.7 | Very high | 16 Ų | 16 | 42.1 Ų | 42.1 | 11% | 0.108 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -31.3 | -178.7 | -60.5 | 0 | 0 | 0 | 0 | 111.9 | L715 I754 D755 L760 F761 | L715-C757 HydrophobicContact CD2-CB 4.49Å; L715-C757 VanDerWaalsContact CD2-SG 3.51Å; I754-C757 WeakPolarHBondContact O-CB 3.41Å; I754-C757 PolarHBondContact O-N 3.2Å; D755-C757 VanDerWaalsContact C-N 3.3Å; D755-C757 PolarHBondContact O-N 3.48Å; C757-L760 WeakPolarHBondContact O-CB 3.17Å; C757-L760 PolarHBondContact O-N 3.38Å; C757-F761 HydrophobicContact CB-CE1 4.02Å; C757-F761 HydrophobicContact CB-CE2 4.37Å; C757-F761 HydrophobicContact CB-CZ 3.93Å; C757-F761 WeakPolarHBondContact O-CD1 3.24Å; C757-F761 PolarHBondContact O-N 3.34Å |
| 758 | I | 93.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -53.4 | -46.7 | -177.2 | -54.6 | -59.4 | 0 | 0 | 0 | 112.5 | I746 I754 L760 F761 V762 A789 Y792 L796 | I746-I758 HydrophobicContact CB-CD1 4.49Å; I746-I758 HydrophobicContact CD1-CD1 4.5Å; I746-I758 HydrophobicContact CG1-CD1 3.83Å; I746-I758 HydrophobicContact CG2-CD1 4.16Å; I754-I758 HydrophobicContact CD1-CD1 3.84Å; I754-I758 HydrophobicContact CG1-CD1 4.27Å; I754-I758 PolarHBondContact O-N 2.94Å; I758-L760 VanDerWaalsContact C-N 3.27Å; I758-L760 PolarHBondContact O-N 2.89Å; I758-F761 PolarHBondContact O-N 3.2Å; I758-V762 HydrophobicContact CG2-CG2 4.23Å; I758-V762 WeakPolarHBondContact O-CG2 3.35Å; I758-V762 PolarHBondContact O-N 2.61Å; I758-A789 HydrophobicContact CG2-CB 3.72Å; I758-Y792 HydrophobicContact CD1-CD1 4.13Å; I758-Y792 HydrophobicContact CD1-CD2 4.39Å; I758-Y792 HydrophobicContact CD1-CE1 4.31Å; I758-Y792 HydrophobicContact CD1-CG 4.21Å; I758-Y792 HydrophobicContact CG1-CD1 3.95Å; I758-Y792 HydrophobicContact CG1-CE1 3.94Å; I758-L796 HydrophobicContact CB-CD2 3.88Å; I758-L796 HydrophobicContact CG1-CD2 4.01Å; I758-L796 HydrophobicContact CG2-CD2 4.17Å |
| 759 | P | 93.8 | Very high | 90.9 | Very high | 40 Ų | 40 | 43 Ų | 43 | 26% | 0.26 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.6 | -36 | 177.9 | -24.8 | 35.5 | 0 | 0 | 0 | 113.8 | D755 Q763 L796 T800 | D755-P759 WeakPolarHBondContact O-CD 3.49Å; P759-Q763 VanDerWaalsContact O-CB 3.23Å; P759-Q763 WeakPolarHBondContact O-CB 3.42Å; P759-Q763 PolarHBondContact O-N 3.24Å; P759-L796 HydrophobicContact CG-CD1 4.44Å; P759-T800 HydrophobicContact CB-CG2 3.95Å |
| 760 | L | 93.9 | Very high | 90.3 | Very high | 82 Ų | 82 | 46.7 Ų | 46.7 | 43% | 0.429 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -69.9 | -41.2 | 179.8 | -59.2 | 175.1 | 0 | 0 | 0 | 111.3 | F719 C757 I758 L764 | F719-L760 HydrophobicContact CE2-CB 4.12Å; F719-L760 HydrophobicContact CZ-CB 3.88Å; C757-L760 WeakPolarHBondContact O-CB 3.17Å; C757-L760 PolarHBondContact O-N 3.38Å; I758-L760 VanDerWaalsContact C-N 3.27Å; I758-L760 PolarHBondContact O-N 2.89Å; L760-L764 WeakPolarHBondContact O-CB 3.49Å; L760-L764 PolarHBondContact O-N 2.84Å; L760-L764 VanDerWaalsContact O-N 3.08Å |
| 761 | F | 95.2 | Very high | 89.7 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.009 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.6 | -46.8 | 179.5 | -64.9 | 1.8 | 0 | 0 | 0 | 110.8 | L715 F719 L742 I745 I746 C757 I758 L764 V765 V785 | L715-F761 HydrophobicContact CD1-CZ 4.49Å; F719-F761 HydrophobicContact CB-CE1 4.04Å; F719-F761 AromaticContact CD2-CD1 3.44Å; F719-F761 HydrophobicContact CD2-CD1 3.44Å; F719-F761 VanDerWaalsContact CD2-CD1 3.44Å; F719-F761 AromaticContact CD2-CE1 3.32Å; F719-F761 HydrophobicContact CD2-CE1 3.32Å; F719-F761 AromaticContact CE2-CD1 3.69Å; F719-F761 HydrophobicContact CE2-CD1 3.69Å; F719-F761 HydrophobicContact CE2-CE1 4.03Å; F719-F761 HydrophobicContact CG-CD1 4.41Å; F719-F761 AromaticContact CG-CE1 3.9Å; F719-F761 HydrophobicContact CG-CE1 3.9Å; L742-F761 HydrophobicContact CB-CD2 4.46Å; L742-F761 HydrophobicContact CD2-CD1 3.9Å; L742-F761 HydrophobicContact CD2-CD2 4.07Å; L742-F761 HydrophobicContact CD2-CE1 4.02Å; L742-F761 HydrophobicContact CD2-CE2 4.16Å; L742-F761 HydrophobicContact CD2-CG 3.94Å; L742-F761 HydrophobicContact CD2-CZ 4.14Å; I745-F761 HydrophobicContact CB-CE2 4.26Å; I745-F761 HydrophobicContact CG2-CE2 3.73Å; I745-F761 HydrophobicContact CG2-CZ 4.15Å; I746-F761 HydrophobicContact CD1-CD2 4.05Å; I746-F761 HydrophobicContact CG1-CD2 3.82Å; I746-F761 HydrophobicContact CG1-CE2 4.31Å; C757-F761 HydrophobicContact CB-CE1 4.02Å; C757-F761 HydrophobicContact CB-CE2 4.37Å; C757-F761 HydrophobicContact CB-CZ 3.93Å; C757-F761 WeakPolarHBondContact O-CD1 3.24Å; C757-F761 PolarHBondContact O-N 3.34Å; I758-F761 PolarHBondContact O-N 3.2Å; F761-L764 PolarHBondContact O-N 3.44Å; F761-V765 PolarHBondContact O-N 2.7Å; F761-V785 HydrophobicContact CB-CG1 4.48Å |
| 762 | V | 93.9 | Very high | 89 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.4 | -44 | 178.2 | 173.8 | 0 | 0 | 0 | 0 | 111 | I758 L764 V765 L766 A789 L797 T800 L801 I804 | I758-V762 HydrophobicContact CG2-CG2 4.23Å; I758-V762 WeakPolarHBondContact O-CG2 3.35Å; I758-V762 PolarHBondContact O-N 2.61Å; V762-L764 VanDerWaalsContact C-N 3.32Å; V762-L764 PolarHBondContact O-N 3.47Å; V762-V765 WeakPolarHBondContact O-CG2 3.28Å; V762-L766 HydrophobicContact CG1-CD1 3.63Å; V762-L766 HydrophobicContact CG1-CG 4.22Å; V762-L766 WeakPolarHBondContact O-CB 3.4Å; V762-L766 WeakPolarHBondContact O-CG 3.35Å; V762-L766 PolarHBondContact O-N 2.64Å; V762-L766 VanDerWaalsContact O-N 3.11Å; V762-A789 HydrophobicContact CG2-CB 3.71Å; V762-L797 HydrophobicContact CG1-CD1 3.93Å; V762-L797 HydrophobicContact CG2-CD1 3.83Å; V762-T800 HydrophobicContact CB-CG2 4.23Å; V762-T800 HydrophobicContact CG1-CG2 4.15Å; V762-L801 HydrophobicContact CG1-CD2 4.13Å; V762-I804 HydrophobicContact CG1-CD1 4.07Å |
| 763 | Q | 91.9 | Very high | 88.6 | Confident | 78 Ų | 78 | 43.3 Ų | 43.3 | 36% | 0.364 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.2 | -44.8 | 177 | -179.2 | 177.6 | -12.2 | 0 | 0 | 111.8 | P759 L766 E767 I804 | P759-Q763 VanDerWaalsContact O-CB 3.23Å; P759-Q763 WeakPolarHBondContact O-CB 3.42Å; P759-Q763 PolarHBondContact O-N 3.24Å; Q763-L766 PolarHBondContact O-N 3.17Å; Q763-E767 HydrophobicContact CG-CG 4.41Å; Q763-E767 VanDerWaalsContact CG-OE1 3.3Å; Q763-E767 WeakPolarHBondContact CG-OE1 3.48Å; Q763-E767 PolarHBondContact NE2-OE1 3.42Å; Q763-E767 WeakPolarHBondContact O-CB 3.26Å; Q763-E767 WeakPolarHBondContact O-CG 3.43Å; Q763-E767 PolarHBondContact O-N 3.14Å; Q763-I804 HydrophobicContact CB-CD1 3.92Å; Q763-I804 HydrophobicContact CB-CG1 4.29Å; Q763-I804 HydrophobicContact CG-CG1 4.48Å; Q763-I804 HydrophobicContact CG-CG2 4.34Å |
| 764 | L | 93.1 | Very high | 88.2 | Confident | 9 Ų | 9 | 49.9 Ų | 49.9 | 5% | 0.047 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.2 | -49.9 | -178.2 | 178.3 | 59.8 | 0 | 0 | 0 | 112.7 | F719 R723 L726 L742 L760 F761 V762 E767 R768 | F719-L764 HydrophobicContact CE2-CD2 3.87Å; R723-L764 HydrophobicContact CB-CD1 4.4Å; R723-L764 HydrophobicContact CB-CD2 3.93Å; R723-L764 HydrophobicContact CG-CD1 3.96Å; R723-L764 HydrophobicContact CG-CD2 4.35Å; L726-L764 HydrophobicContact CB-CD1 4.15Å; L726-L764 HydrophobicContact CB-CG 4.25Å; L726-L764 HydrophobicContact CD1-CD2 3.81Å; L726-L764 HydrophobicContact CD1-CG 3.9Å; L742-L764 HydrophobicContact CD1-CD2 4.1Å; L760-L764 WeakPolarHBondContact O-CB 3.49Å; L760-L764 PolarHBondContact O-N 2.84Å; L760-L764 VanDerWaalsContact O-N 3.08Å; F761-L764 PolarHBondContact O-N 3.44Å; V762-L764 VanDerWaalsContact C-N 3.32Å; V762-L764 PolarHBondContact O-N 3.47Å; L764-E767 PolarHBondContact O-N 3.19Å; L764-R768 PolarHBondContact O-N 2.9Å |
| 765 | V | 92.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -70.4 | -34.5 | -178.7 | -61.8 | 0 | 0 | 0 | 0 | 112.5 | L726 L742 F761 V762 R768 L769 C782 V785 | L726-V765 HydrophobicContact CD1-CG1 4.3Å; L742-V765 HydrophobicContact CD1-CG1 4.05Å; F761-V765 PolarHBondContact O-N 2.7Å; V762-V765 WeakPolarHBondContact O-CG2 3.28Å; V765-R768 PolarHBondContact O-N 2.93Å; V765-L769 WeakPolarHBondContact O-CG 3.48Å; V765-L769 PolarHBondContact O-N 3.31Å; V765-C782 HydrophobicContact CB-CB 4.12Å; V765-V785 HydrophobicContact CG1-CB 4.01Å; V765-V785 HydrophobicContact CG1-CG1 3.93Å; V765-V785 HydrophobicContact CG1-CG2 4.05Å; V765-V785 HydrophobicContact CG2-CB 4.07Å; V765-V785 HydrophobicContact CG2-CG1 3.96Å |
| 766 | L | 89.1 | Confident | 87.5 | Confident | 7 Ų | 7 | 51.8 Ų | 51.8 | 4% | 0.037 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.5 | -37.6 | 176 | -67.9 | 178.5 | 0 | 0 | 0 | 111.7 | V762 Q763 R768 L769 T770 L801 I804 I813 F817 | V762-L766 HydrophobicContact CG1-CD1 3.63Å; V762-L766 HydrophobicContact CG1-CG 4.22Å; V762-L766 WeakPolarHBondContact O-CB 3.4Å; V762-L766 WeakPolarHBondContact O-CG 3.35Å; V762-L766 PolarHBondContact O-N 2.64Å; V762-L766 VanDerWaalsContact O-N 3.11Å; Q763-L766 PolarHBondContact O-N 3.17Å; L766-R768 VanDerWaalsContact C-N 3.32Å; L766-L769 HydrophobicContact CD2-CD1 4.17Å; L766-L769 PolarHBondContact O-N 2.95Å; L766-T770 PolarHBondContact O-N 3.04Å; L766-L801 HydrophobicContact CD1-CD2 3.53Å; L766-I804 HydrophobicContact CD1-CD1 4.06Å; L766-I813 HydrophobicContact CD1-CG2 4.11Å; L766-F817 HydrophobicContact CD2-CD2 4.28Å |
| 767 | E | 87.7 | Confident | 87.4 | Confident | 56 Ų | 56 | 47.7 Ų | 47.7 | 26% | 0.262 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.3 | -41.8 | 170.7 | -77.8 | 177.1 | -165.3 | 0 | 0 | 111.1 | Q763 L764 L769 T770 L806 | Q763-E767 HydrophobicContact CG-CG 4.41Å; Q763-E767 VanDerWaalsContact CG-OE1 3.3Å; Q763-E767 WeakPolarHBondContact CG-OE1 3.48Å; Q763-E767 PolarHBondContact NE2-OE1 3.42Å; Q763-E767 WeakPolarHBondContact O-CB 3.26Å; Q763-E767 WeakPolarHBondContact O-CG 3.43Å; Q763-E767 PolarHBondContact O-N 3.14Å; L764-E767 PolarHBondContact O-N 3.19Å; E767-L769 PolarHBondContact O-N 3.29Å; E767-T770 PolarHBondContact O-N 3.14Å; E767-T770 VanDerWaalsContact O-N 3.16Å; E767-T770 PolarHBondContact O-OG1 2.67Å; E767-L806 HydrophobicContact CB-CD2 4.26Å; E767-L806 HydrophobicContact CG-CD2 3.57Å |
| 768 | R | 88.3 | Confident | 87.3 | Confident | 17 Ų | 17 | 47 Ų | 47 | 6% | 0.064 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.5 | -40.1 | 176.1 | 179.5 | 57 | -174 | 91.7 | -2.3 | 112.6 | L726 E732 E735 L764 V765 L766 T770 R771 | L726-R768 HydrophobicContact CD2-CG 4.16Å; L726-R768 WeakPolarHBondContact O-CD 3.35Å; E732-R768 IonicContact OE1-NH2 2.96Å; E735-R768 IonicContact OE1-CZ 3.28Å; E735-R768 IonicContact OE1-NE 2.68Å; E735-R768 PolarHBondContact OE1-NE 2.87Å; E735-R768 IonicContact OE1-NH2 3.57Å; E735-R768 PolarHBondContact OE1-NH2 2.82Å; E735-R768 IonicContact OE2-CZ 2.7Å; E735-R768 VanDerWaalsContact OE2-CZ 3.26Å; E735-R768 IonicContact OE2-NE 3.83Å; E735-R768 PolarHBondContact OE2-NE 3.36Å; E735-R768 IonicContact OE2-NH2 3.26Å; E735-R768 PolarHBondContact OE2-NH2 3.31Å; L764-R768 PolarHBondContact O-N 2.9Å; V765-R768 PolarHBondContact O-N 2.93Å; L766-R768 VanDerWaalsContact C-N 3.32Å; R768-T770 PolarHBondContact O-N 2.72Å; R768-R771 PolarHBondContact NH1-O 3.05Å; R768-R771 VanDerWaalsContact NH1-O 3.11Å; R768-R771 WeakPolarHBondContact O-CB 3.42Å; R768-R771 PolarHBondContact O-N 3.25Å; R768-R771 VanDerWaalsContact O-O 3.09Å |
| 769 | L | 85.5 | Confident | 87.2 | Confident | 43 Ų | 43 | 50 Ų | 50 | 23% | 0.225 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.9 | -22.6 | 175.8 | -76 | 175.4 | 0 | 0 | 0 | 113.7 | V765 L766 E767 V773 R779 C782 L783 | V765-L769 WeakPolarHBondContact O-CG 3.48Å; V765-L769 PolarHBondContact O-N 3.31Å; L766-L769 HydrophobicContact CD2-CD1 4.17Å; L766-L769 PolarHBondContact O-N 2.95Å; E767-L769 PolarHBondContact O-N 3.29Å; L769-V773 HydrophobicContact CD2-CG2 4.26Å; L769-R779 HydrophobicContact CD2-CB 4.4Å; L769-R779 HydrophobicContact CD2-CG 3.83Å; L769-C782 HydrophobicContact CD1-CB 3.83Å; L769-C782 HydrophobicContact CD2-CB 3.66Å; L769-C782 HydrophobicContact CG-CB 3.58Å; L769-L783 HydrophobicContact CD1-CD2 4.16Å |
| 770 | T | 79.8 | Confident | 87.1 | Confident | 77 Ų | 77 | 48.2 Ų | 48.2 | 47% | 0.472 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -77.5 | -21.9 | 174.3 | 65.6 | 0 | 0 | 0 | 0 | 113.9 | L766 E767 R768 L806 | L766-T770 PolarHBondContact O-N 3.04Å; E767-T770 PolarHBondContact O-N 3.14Å; E767-T770 VanDerWaalsContact O-N 3.16Å; E767-T770 PolarHBondContact O-OG1 2.67Å; R768-T770 PolarHBondContact O-N 2.72Å; T770-L806 HydrophobicContact CG2-CB 4.26Å; T770-L806 HydrophobicContact CG2-CD1 3.42Å; T770-L806 VanDerWaalsContact CG2-CD1 3.42Å; T770-L806 HydrophobicContact CG2-CD2 3.72Å; T770-L806 HydrophobicContact CG2-CG 3.97Å |
| 771 | R | 78.3 | Confident | 87 | Confident | 105 Ų | 105 | 44.4 Ų | 44.4 | 40% | 0.396 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -80.3 | 132 | 170.9 | -52.7 | 177.6 | -170.7 | -169.9 | 2.3 | 105.9 | C727 R768 V773 | C727-R771 PolarHBondContact O-NH1 3.36Å; R768-R771 PolarHBondContact NH1-O 3.05Å; R768-R771 VanDerWaalsContact NH1-O 3.11Å; R768-R771 WeakPolarHBondContact O-CB 3.42Å; R768-R771 PolarHBondContact O-N 3.25Å; R768-R771 VanDerWaalsContact O-O 3.09Å; R771-V773 WeakPolarHBondContact O-CG2 3.24Å; R771-V773 PolarHBondContact O-N 3.07Å; R771-V773 VanDerWaalsContact O-N 3.14Å |
| 772 | G | 71.8 | Confident | 87 | Confident | 74 Ų | 74 | 44.3 Ų | 44.3 | 76% | 0.763 | 24% | 0.235 | S | C | * | . | trans | -47.6 | 124.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 773 | V | 79.4 | Confident | 87 | Confident | 22 Ų | 22 | 44.3 Ų | 44.3 | 13% | 0.133 | 24% | 0.235 | C | C | . | . | trans | -104.5 | 122.1 | 179.1 | -174 | 0 | 0 | 0 | 0 | 108.2 | L769 R771 T775 L778 R779 | L769-V773 HydrophobicContact CD2-CG2 4.26Å; R771-V773 WeakPolarHBondContact O-CG2 3.24Å; R771-V773 PolarHBondContact O-N 3.07Å; R771-V773 VanDerWaalsContact O-N 3.14Å; V773-T775 WeakPolarHBondContact CG1-O 3.33Å; V773-L778 HydrophobicContact CG1-CB 3.9Å; V773-L778 HydrophobicContact CG1-CD2 3.99Å; V773-L778 HydrophobicContact CG1-CG 4Å; V773-R779 HydrophobicContact CG1-CB 4.19Å; V773-R779 PolarHBondContact O-NH2 2.94Å | ||
| 774 | K | 76.6 | Confident | 87.1 | Confident | 190 Ų | 190 | 40.6 Ų | 40.6 | 83% | 0.826 | 22% | 0.217 | S | C | * | . | trans | -81 | -47.1 | -177.3 | -61.2 | 174.3 | -178.6 | 169.4 | 0 | 110.9 | E732 | E732-K774 WeakPolarHBondContact OE1-CB 3.44Å; E732-K774 PolarHBondContact OE1-N 3.38Å | ||
| 775 | T | 84 | Confident | 87.2 | Confident | 56 Ų | 56 | 40.2 Ų | 40.2 | 34% | 0.344 | 22% | 0.215 | S | C | . | . | trans | -82.5 | 155.5 | -178.9 | 55.7 | 0 | 0 | 0 | 0 | 113 | E732 V773 L778 R779 | E732-T775 WeakPolarHBondContact OE2-CB 3.42Å; E732-T775 WeakPolarHBondContact OE2-CG2 3.42Å; E732-T775 PolarHBondContact OE2-N 3.4Å; E732-T775 PolarHBondContact OE2-OG1 3.09Å; V773-T775 WeakPolarHBondContact CG1-O 3.33Å; T775-L778 WeakPolarHBondContact OG1-CB 3.37Å; T775-L778 PolarHBondContact OG1-N 2.78Å; T775-R779 PolarHBondContact O-NH2 2.94Å | ||
| 776 | S | 86.6 | Confident | 87.3 | Confident | 57 Ų | 57 | 40.2 Ų | 40.2 | 40% | 0.399 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -76.1 | -35 | 168 | 45.1 | 0 | 0 | 0 | 0 | 111.1 | R779 T780 | S776-R779 VanDerWaalsContact O-CB 3.29Å; S776-R779 WeakPolarHBondContact O-CB 3.42Å; S776-R779 PolarHBondContact O-N 3.26Å; S776-T780 PolarHBondContact O-N 3.1Å; S776-T780 PolarHBondContact O-OG1 3.23Å; S776-T780 VanDerWaalsContact O-OG1 3.08Å |
| 777 | E | 88.4 | Confident | 87.6 | Confident | 70 Ų | 70 | 39.9 Ų | 39.9 | 33% | 0.327 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.6 | -52.5 | -178 | -171.3 | 172.7 | -160 | 0 | 0 | 113.2 | R779 T780 M781 | E777-R779 PolarHBondContact O-N 3.44Å; E777-T780 WeakPolarHBondContact O-CB 3.34Å; E777-T780 PolarHBondContact O-N 2.89Å; E777-T780 VanDerWaalsContact O-N 3.09Å; E777-M781 WeakPolarHBondContact O-CG 3.5Å; E777-M781 PolarHBondContact O-N 3.06Å |
| 778 | L | 90.5 | Very high | 88 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.3 | -36.3 | 178.2 | 176.3 | 57.1 | 0 | 0 | 0 | 112.2 | E732 E735 C736 V773 T775 M781 C782 | E732-L778 HydrophobicContact CB-CD2 3.96Å; E732-L778 HydrophobicContact CG-CD2 3.85Å; E735-L778 HydrophobicContact CB-CD1 3.68Å; E735-L778 HydrophobicContact CB-CD2 4.03Å; E735-L778 WeakPolarHBondContact OE2-CD2 3.33Å; C736-L778 WeakPolarHBondContact SG-CA 3.22Å; V773-L778 HydrophobicContact CG1-CB 3.9Å; V773-L778 HydrophobicContact CG1-CD2 3.99Å; V773-L778 HydrophobicContact CG1-CG 4Å; T775-L778 WeakPolarHBondContact OG1-CB 3.37Å; T775-L778 PolarHBondContact OG1-N 2.78Å; L778-M781 PolarHBondContact O-N 3.41Å; L778-C782 WeakPolarHBondContact O-CB 3.38Å; L778-C782 PolarHBondContact O-N 3.19Å; L778-C782 PolarHBondContact O-SG 2.99Å |
| 779 | R | 90.7 | Very high | 88.3 | Confident | 66 Ų | 66 | 36.4 Ų | 36.4 | 25% | 0.249 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.5 | -48.1 | 177.4 | -156.3 | -167.8 | -43.6 | -103.5 | -13.5 | 110.3 | L769 V773 T775 S776 E777 C782 L783 D824 | L769-R779 HydrophobicContact CD2-CB 4.4Å; L769-R779 HydrophobicContact CD2-CG 3.83Å; V773-R779 HydrophobicContact CG1-CB 4.19Å; V773-R779 PolarHBondContact O-NH2 2.94Å; T775-R779 PolarHBondContact O-NH2 2.94Å; S776-R779 VanDerWaalsContact O-CB 3.29Å; S776-R779 WeakPolarHBondContact O-CB 3.42Å; S776-R779 PolarHBondContact O-N 3.26Å; E777-R779 PolarHBondContact O-N 3.44Å; R779-C782 PolarHBondContact O-N 3.44Å; R779-L783 VanDerWaalsContact O-CG 3.31Å; R779-L783 WeakPolarHBondContact O-CG 3.48Å; R779-L783 PolarHBondContact O-N 3.4Å; R779-D824 WeakPolarHBondContact CD-OD2 3.36Å |
| 780 | T | 91.4 | Very high | 88.7 | Confident | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.3 | -46.8 | 175.2 | -60.1 | 0 | 0 | 0 | 0 | 111.1 | S776 E777 C782 L783 Q784 C827 F828 | S776-T780 PolarHBondContact O-N 3.1Å; S776-T780 PolarHBondContact O-OG1 3.23Å; S776-T780 VanDerWaalsContact O-OG1 3.08Å; E777-T780 WeakPolarHBondContact O-CB 3.34Å; E777-T780 PolarHBondContact O-N 2.89Å; E777-T780 VanDerWaalsContact O-N 3.09Å; T780-C782 PolarHBondContact O-N 2.87Å; T780-L783 WeakPolarHBondContact O-CB 3.33Å; T780-L783 PolarHBondContact O-N 3.29Å; T780-L783 VanDerWaalsContact O-N 3.16Å; T780-Q784 WeakPolarHBondContact O-CG 3.4Å; T780-Q784 PolarHBondContact O-N 3.49Å; T780-C827 PolarHBondContact OG1-O 3.09Å; T780-F828 HydrophobicContact CG2-CD1 3.56Å; T780-F828 HydrophobicContact CG2-CD2 3.97Å; T780-F828 HydrophobicContact CG2-CE1 3.59Å; T780-F828 HydrophobicContact CG2-CE2 3.98Å; T780-F828 HydrophobicContact CG2-CG 3.76Å; T780-F828 HydrophobicContact CG2-CZ 3.79Å |
| 781 | M | 93.1 | Very high | 89.4 | Confident | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.1 | -42.7 | 178.7 | -68.8 | -56.5 | 105 | 0 | 0 | 112.7 | C736 A739 E777 L778 L783 Q784 V785 L942 | C736-M781 HydrophobicContact CB-CG 4.35Å; A739-M781 HydrophobicContact CB-CB 3.93Å; E777-M781 WeakPolarHBondContact O-CG 3.5Å; E777-M781 PolarHBondContact O-N 3.06Å; L778-M781 PolarHBondContact O-N 3.41Å; M781-L783 VanDerWaalsContact C-N 3.31Å; M781-L783 PolarHBondContact O-N 2.88Å; M781-Q784 HydrophobicContact CE-CG 4.48Å; M781-Q784 WeakPolarHBondContact O-CB 3.35Å; M781-Q784 PolarHBondContact O-N 3.37Å; M781-Q784 PolarHBondContact SD-OE1 2.88Å; M781-V785 PolarHBondContact O-N 3.49Å; M781-L942 HydrophobicContact CG-CD1 3.7Å; M781-L942 HydrophobicContact SD-CD1 3.54Å; M781-L942 VanDerWaalsContact SD-CD1 3.54Å |
| 782 | C | 93.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.1 | -38.5 | 175 | -70.8 | 0 | 0 | 0 | 0 | 112.2 | V765 L769 L778 R779 T780 | V765-C782 HydrophobicContact CB-CB 4.12Å; L769-C782 HydrophobicContact CD1-CB 3.83Å; L769-C782 HydrophobicContact CD2-CB 3.66Å; L769-C782 HydrophobicContact CG-CB 3.58Å; L778-C782 WeakPolarHBondContact O-CB 3.38Å; L778-C782 PolarHBondContact O-N 3.19Å; L778-C782 PolarHBondContact O-SG 2.99Å; R779-C782 PolarHBondContact O-N 3.44Å; T780-C782 PolarHBondContact O-N 2.87Å |
| 783 | L | 93.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.7 | -40.8 | 173.9 | -68.9 | 172 | 0 | 0 | 0 | 111.3 | L769 R779 T780 M781 V785 A786 I787 F817 Q820 W821 D824 F828 | L769-L783 HydrophobicContact CD1-CD2 4.16Å; R779-L783 VanDerWaalsContact O-CG 3.31Å; R779-L783 WeakPolarHBondContact O-CG 3.48Å; R779-L783 PolarHBondContact O-N 3.4Å; T780-L783 WeakPolarHBondContact O-CB 3.33Å; T780-L783 PolarHBondContact O-N 3.29Å; T780-L783 VanDerWaalsContact O-N 3.16Å; M781-L783 VanDerWaalsContact C-N 3.31Å; M781-L783 PolarHBondContact O-N 2.88Å; L783-V785 VanDerWaalsContact C-N 3.34Å; L783-V785 PolarHBondContact O-N 3.41Å; L783-A786 WeakPolarHBondContact O-CB 3.4Å; L783-A786 PolarHBondContact O-N 3.09Å; L783-A786 VanDerWaalsContact O-N 3.1Å; L783-I787 VanDerWaalsContact O-CG1 3.29Å; L783-I787 WeakPolarHBondContact O-CG1 3.35Å; L783-I787 PolarHBondContact O-N 3.11Å; L783-F817 HydrophobicContact CD2-CD2 3.75Å; L783-F817 HydrophobicContact CD2-CE2 3.68Å; L783-Q820 HydrophobicContact CD2-CG 4.4Å; L783-W821 HydrophobicContact CD2-CB 4.38Å; L783-D824 HydrophobicContact CD1-CB 4.14Å; L783-F828 HydrophobicContact CB-CZ 4.33Å |
| 784 | Q | 93.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.1 | -40.2 | 178.4 | -78.4 | -178.5 | -3.5 | 0 | 0 | 113.2 | T780 M781 A786 I787 A788 F828 D833 | T780-Q784 WeakPolarHBondContact O-CG 3.4Å; T780-Q784 PolarHBondContact O-N 3.49Å; M781-Q784 HydrophobicContact CE-CG 4.48Å; M781-Q784 WeakPolarHBondContact O-CB 3.35Å; M781-Q784 PolarHBondContact O-N 3.37Å; M781-Q784 PolarHBondContact SD-OE1 2.88Å; Q784-A786 VanDerWaalsContact C-N 3.26Å; Q784-A786 PolarHBondContact O-N 3.37Å; Q784-I787 CarbonylContact O-C 3.59Å; Q784-I787 PolarHBondContact O-N 3.05Å; Q784-A788 WeakPolarHBondContact O-CB 3.43Å; Q784-A788 PolarHBondContact O-N 3.2Å; Q784-F828 HydrophobicContact CG-CD1 4.47Å; Q784-F828 HydrophobicContact CG-CE1 3.71Å; Q784-D833 PolarHBondContact NE2-OD1 2.91Å |
| 785 | V | 96.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.8 | -41.2 | 175 | 174 | 0 | 0 | 0 | 0 | 111.5 | A739 L742 E743 I746 F761 V765 M781 L783 A789 | A739-V785 HydrophobicContact CB-CG2 4.22Å; A739-V785 WeakPolarHBondContact O-CG2 3.49Å; L742-V785 HydrophobicContact CB-CG1 4.22Å; L742-V785 HydrophobicContact CB-CG2 4.13Å; E743-V785 HydrophobicContact CB-CG2 4.19Å; I746-V785 HydrophobicContact CD1-CG1 3.88Å; F761-V785 HydrophobicContact CB-CG1 4.48Å; V765-V785 HydrophobicContact CG1-CB 4.01Å; V765-V785 HydrophobicContact CG1-CG1 3.93Å; V765-V785 HydrophobicContact CG1-CG2 4.05Å; V765-V785 HydrophobicContact CG2-CB 4.07Å; V765-V785 HydrophobicContact CG2-CG1 3.96Å; M781-V785 PolarHBondContact O-N 3.49Å; L783-V785 VanDerWaalsContact C-N 3.34Å; L783-V785 PolarHBondContact O-N 3.41Å; V785-A789 PolarHBondContact O-N 3.19Å |
| 786 | A | 94.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -71.1 | -36.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L783 Q784 A789 L790 L797 F817 | L783-A786 WeakPolarHBondContact O-CB 3.4Å; L783-A786 PolarHBondContact O-N 3.09Å; L783-A786 VanDerWaalsContact O-N 3.1Å; Q784-A786 VanDerWaalsContact C-N 3.26Å; Q784-A786 PolarHBondContact O-N 3.37Å; A786-A789 WeakPolarHBondContact O-CB 3.41Å; A786-A789 PolarHBondContact O-N 2.94Å; A786-L790 PolarHBondContact O-N 3.3Å; A786-L797 VanDerWaalsContact O-CD2 3.31Å; A786-L797 WeakPolarHBondContact O-CD2 3.46Å; A786-F817 HydrophobicContact CB-CD2 4.21Å; A786-F817 HydrophobicContact CB-CE2 3.46Å; A786-F817 VanDerWaalsContact CB-CE2 3.46Å; A786-F817 HydrophobicContact CB-CZ 3.65Å |
| 787 | I | 95.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -66.3 | -39.7 | 174.7 | -63.5 | 164.1 | 0 | 0 | 0 | 111.1 | L783 Q784 A789 L790 Y791 F817 W821 F828 M836 | L783-I787 VanDerWaalsContact O-CG1 3.29Å; L783-I787 WeakPolarHBondContact O-CG1 3.35Å; L783-I787 PolarHBondContact O-N 3.11Å; Q784-I787 CarbonylContact O-C 3.59Å; Q784-I787 PolarHBondContact O-N 3.05Å; I787-A789 VanDerWaalsContact C-N 3.34Å; I787-L790 VanDerWaalsContact O-CB 3.27Å; I787-L790 WeakPolarHBondContact O-CB 3.02Å; I787-L790 PolarHBondContact O-N 2.89Å; I787-L790 VanDerWaalsContact O-N 3.14Å; I787-Y791 PolarHBondContact O-N 2.96Å; I787-F817 HydrophobicContact CG1-CZ 4.34Å; I787-W821 HydrophobicContact CD1-CD2 4.05Å; I787-W821 VanDerWaalsContact CD1-CE2 3.4Å; I787-W821 HydrophobicContact CD1-CG 4.39Å; I787-W821 HydrophobicContact CD1-CH2 4.39Å; I787-W821 HydrophobicContact CD1-CZ2 3.62Å; I787-W821 HydrophobicContact CG1-CD2 4.15Å; I787-W821 HydrophobicContact CG1-CE3 4.4Å; I787-W821 HydrophobicContact CG1-CH2 3.91Å; I787-W821 HydrophobicContact CG1-CZ2 3.64Å; I787-W821 HydrophobicContact CG1-CZ3 4.28Å; I787-W821 HydrophobicContact CG2-CH2 4.38Å; I787-W821 HydrophobicContact CG2-CZ2 4.22Å; I787-F828 HydrophobicContact CD1-CE1 4.02Å; I787-F828 HydrophobicContact CD1-CZ 3.86Å; I787-M836 HydrophobicContact CG2-CE 4.45Å; I787-M836 WeakPolarHBondContact CG2-O 3.49Å |
| 788 | A | 95.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63.7 | -39.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | E743 I746 L747 Q784 L790 Y791 Y792 M836 | E743-A788 HydrophobicContact CG-CB 3.87Å; I746-A788 HydrophobicContact CB-CB 4.33Å; I746-A788 HydrophobicContact CD1-CB 4.43Å; I746-A788 HydrophobicContact CG2-CB 4Å; I746-A788 WeakPolarHBondContact CG2-O 3.5Å; L747-A788 HydrophobicContact CD2-CB 3.97Å; L747-A788 HydrophobicContact CG-CB 4.16Å; Q784-A788 WeakPolarHBondContact O-CB 3.43Å; Q784-A788 PolarHBondContact O-N 3.2Å; A788-L790 VanDerWaalsContact C-N 3.31Å; A788-L790 PolarHBondContact O-N 2.91Å; A788-Y791 CarbonylContact O-C 3.56Å; A788-Y791 PolarHBondContact O-N 3.09Å; A788-Y792 WeakPolarHBondContact O-CB 3.38Å; A788-Y792 PolarHBondContact O-N 2.97Å; A788-M836 HydrophobicContact CB-CE 3.8Å |
| 789 | A | 95.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.3 | -35.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I746 I758 V762 V785 A786 I787 Y792 N793 L797 | I746-A789 HydrophobicContact CD1-CB 4.49Å; I758-A789 HydrophobicContact CG2-CB 3.72Å; V762-A789 HydrophobicContact CG2-CB 3.71Å; V785-A789 PolarHBondContact O-N 3.19Å; A786-A789 WeakPolarHBondContact O-CB 3.41Å; A786-A789 PolarHBondContact O-N 2.94Å; I787-A789 VanDerWaalsContact C-N 3.34Å; A789-Y792 WeakPolarHBondContact O-CB 3.32Å; A789-Y792 PolarHBondContact O-N 3.05Å; A789-N793 PolarHBondContact O-N 3.36Å; A789-L797 HydrophobicContact CB-CD1 4.01Å |
| 790 | L | 94.4 | Very high | 93.2 | Very high | 4 Ų | 4 | 19.4 Ų | 19.4 | 2% | 0.021 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.5 | -45.4 | 172.7 | -175.2 | 67.3 | 0 | 0 | 0 | 110.5 | A786 I787 A788 Y792 P794 L797 W821 G840 I843 L844 | A786-L790 PolarHBondContact O-N 3.3Å; I787-L790 VanDerWaalsContact O-CB 3.27Å; I787-L790 WeakPolarHBondContact O-CB 3.02Å; I787-L790 PolarHBondContact O-N 2.89Å; I787-L790 VanDerWaalsContact O-N 3.14Å; A788-L790 VanDerWaalsContact C-N 3.31Å; A788-L790 PolarHBondContact O-N 2.91Å; L790-Y792 VanDerWaalsContact C-N 3.3Å; L790-Y792 PolarHBondContact O-N 3.32Å; L790-P794 HydrophobicContact CD1-CB 3.99Å; L790-P794 WeakPolarHBondContact O-CD 3.45Å; L790-P794 WeakPolarHBondContact O-CG 3.22Å; L790-L797 HydrophobicContact CB-CD2 3.49Å; L790-L797 VanDerWaalsContact CB-CD2 3.49Å; L790-L797 HydrophobicContact CD1-CD2 3.9Å; L790-L797 HydrophobicContact CG-CD2 4.25Å; L790-W821 HydrophobicContact CD2-CH2 4.16Å; L790-W821 HydrophobicContact CD2-CZ3 4.2Å; L790-G840 WeakPolarHBondContact CD2-O 3.45Å; L790-I843 HydrophobicContact CD1-CG2 4.16Å; L790-I843 HydrophobicContact CD2-CB 4.36Å; L790-I843 HydrophobicContact CD2-CG2 4.27Å; L790-I843 HydrophobicContact CG-CB 4.4Å; L790-I843 HydrophobicContact CG-CG2 3.89Å; L790-L844 HydrophobicContact CD2-CB 4.37Å |
| 791 | Y | 94.4 | Very high | 93.1 | Very high | 33 Ų | 33 | 19.4 Ų | 19.4 | 13% | 0.129 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65 | -32.5 | 175.4 | 179.3 | -109.2 | 0 | 0 | 0 | 112.9 | L747 K750 I787 A788 I839 I843 L949 | L747-Y791 HydrophobicContact CD2-CD1 3.73Å; L747-Y791 HydrophobicContact CD2-CE1 4.28Å; K750-Y791 HydrophobicContact CD-CD1 3.88Å; K750-Y791 HydrophobicContact CD-CE1 3.55Å; K750-Y791 WeakPolarHBondContact CE-O 3.48Å; K750-Y791 VanDerWaalsContact NZ-CE2 3.26Å; K750-Y791 PolarHBondContact NZ-O 3.45Å; I787-Y791 PolarHBondContact O-N 2.96Å; A788-Y791 CarbonylContact O-C 3.56Å; A788-Y791 PolarHBondContact O-N 3.09Å; Y791-I839 HydrophobicContact CD2-CG2 3.4Å; Y791-I839 HydrophobicContact CE2-CG2 3.78Å; Y791-I839 HydrophobicContact CG-CG2 4.22Å; Y791-I843 HydrophobicContact CD2-CD1 3.63Å; Y791-I843 HydrophobicContact CG-CD1 4.31Å; Y791-L949 HydrophobicContact CD1-CD1 4.19Å; Y791-L949 HydrophobicContact CE1-CD1 3.92Å; Y791-L949 HydrophobicContact CE1-CD2 4.05Å; Y791-L949 HydrophobicContact CE1-CG 4.37Å |
| 792 | Y | 94.3 | Very high | 92.7 | Very high | 25 Ų | 25 | 25.1 Ų | 25.1 | 10% | 0.098 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.6 | -58.1 | 176.4 | -178.1 | -87.8 | 0 | 0 | 0 | 111.5 | I746 K750 I754 I758 A788 A789 L790 L796 | I746-Y792 HydrophobicContact CG2-CD2 4.1Å; I746-Y792 HydrophobicContact CG2-CG 4.23Å; K750-Y792 HydrophobicContact CB-CD2 4.11Å; K750-Y792 HydrophobicContact CB-CE2 4.45Å; K750-Y792 HydrophobicContact CG-CD2 4.11Å; I754-Y792 HydrophobicContact CD1-CE2 4.01Å; I754-Y792 HydrophobicContact CG1-CE2 3.63Å; I754-Y792 WeakPolarHBondContact CG1-OH 3.35Å; I754-Y792 PolarHBondContact N-OH 3.03Å; I758-Y792 HydrophobicContact CD1-CD1 4.13Å; I758-Y792 HydrophobicContact CD1-CD2 4.39Å; I758-Y792 HydrophobicContact CD1-CE1 4.31Å; I758-Y792 HydrophobicContact CD1-CG 4.21Å; I758-Y792 HydrophobicContact CG1-CD1 3.95Å; I758-Y792 HydrophobicContact CG1-CE1 3.94Å; A788-Y792 WeakPolarHBondContact O-CB 3.38Å; A788-Y792 PolarHBondContact O-N 2.97Å; A789-Y792 WeakPolarHBondContact O-CB 3.32Å; A789-Y792 PolarHBondContact O-N 3.05Å; L790-Y792 VanDerWaalsContact C-N 3.3Å; L790-Y792 PolarHBondContact O-N 3.32Å; Y792-L796 HydrophobicContact CE1-CD2 4.49Å |
| 793 | N | 93.5 | Very high | 92.2 | Very high | 47 Ų | 47 | 33.5 Ų | 33.5 | 25% | 0.251 | 16% | 0.157 | S | C | . | . | trans | -157.5 | 105 | -179.9 | -175.4 | -22.6 | 0 | 0 | 0 | 110.5 | A789 D795 L796 L797 | A789-N793 PolarHBondContact O-N 3.36Å; N793-D795 PolarHBondContact O-N 2.92Å; N793-D795 PolarHBondContact OD1-N 3.39Å; N793-L796 HydrophobicContact CB-CB 3.84Å; N793-L796 HydrophobicContact CB-CD2 4.44Å; N793-L796 PolarHBondContact O-N 3.32Å; N793-L796 PolarHBondContact OD1-N 2.82Å; N793-L797 PolarHBondContact O-N 2.97Å; N793-L797 VanDerWaalsContact O-N 3.13Å | ||
| 794 | P | 91.7 | Very high | 91.7 | Very high | 38 Ų | 38 | 34.1 Ų | 34.1 | 25% | 0.247 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.6 | -41.6 | -175.7 | -22.4 | 30.9 | 0 | 0 | 0 | 114.1 | L790 L796 L797 L798 I843 L847 | L790-P794 HydrophobicContact CD1-CB 3.99Å; L790-P794 WeakPolarHBondContact O-CD 3.45Å; L790-P794 WeakPolarHBondContact O-CG 3.22Å; P794-L796 VanDerWaalsContact C-N 3.33Å; P794-L796 PolarHBondContact O-N 3.08Å; P794-L797 PolarHBondContact O-N 2.76Å; P794-L798 VanDerWaalsContact O-CG 3.31Å; P794-L798 WeakPolarHBondContact O-CG 3.42Å; P794-L798 PolarHBondContact O-N 3.18Å; P794-I843 HydrophobicContact CB-CG2 4.29Å; P794-I843 HydrophobicContact CG-CG2 3.75Å; P794-L847 HydrophobicContact CB-CD2 3.84Å |
| 795 | D | 91 | Very high | 90.8 | Very high | 113 Ų | 113 | 42.2 Ų | 42.2 | 60% | 0.604 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -65.5 | -39.2 | -179.1 | -68.4 | -54.1 | 0 | 0 | 0 | 111.2 | N793 H799 | N793-D795 PolarHBondContact O-N 2.92Å; N793-D795 PolarHBondContact OD1-N 3.39Å; D795-H799 VanDerWaalsContact O-CB 3.25Å; D795-H799 WeakPolarHBondContact O-CB 3.41Å; D795-H799 PolarHBondContact O-N 3.01Å; D795-H799 VanDerWaalsContact O-N 3.08Å |
| 796 | L | 92.6 | Very high | 89.5 | Confident | 33 Ų | 33 | 42.9 Ų | 42.9 | 17% | 0.173 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.4 | -44.2 | 177.7 | -179.2 | 60.2 | 0 | 0 | 0 | 111.7 | D755 I758 P759 Y792 N793 P794 T800 | D755-L796 HydrophobicContact CB-CD2 4.05Å; I758-L796 HydrophobicContact CB-CD2 3.88Å; I758-L796 HydrophobicContact CG1-CD2 4.01Å; I758-L796 HydrophobicContact CG2-CD2 4.17Å; P759-L796 HydrophobicContact CG-CD1 4.44Å; Y792-L796 HydrophobicContact CE1-CD2 4.49Å; N793-L796 HydrophobicContact CB-CB 3.84Å; N793-L796 HydrophobicContact CB-CD2 4.44Å; N793-L796 PolarHBondContact O-N 3.32Å; N793-L796 PolarHBondContact OD1-N 2.82Å; P794-L796 VanDerWaalsContact C-N 3.33Å; P794-L796 PolarHBondContact O-N 3.08Å; L796-T800 VanDerWaalsContact O-CB 3.31Å; L796-T800 WeakPolarHBondContact O-CB 3.37Å; L796-T800 PolarHBondContact O-N 2.98Å; L796-T800 PolarHBondContact O-OG1 3.16Å |
| 797 | L | 92.7 | Very high | 87.7 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.3 | -50.4 | 177 | 176.9 | 67.2 | 0 | 0 | 0 | 111 | V762 A786 A789 L790 N793 P794 H799 T800 L801 | V762-L797 HydrophobicContact CG1-CD1 3.93Å; V762-L797 HydrophobicContact CG2-CD1 3.83Å; A786-L797 VanDerWaalsContact O-CD2 3.31Å; A786-L797 WeakPolarHBondContact O-CD2 3.46Å; A789-L797 HydrophobicContact CB-CD1 4.01Å; L790-L797 HydrophobicContact CB-CD2 3.49Å; L790-L797 VanDerWaalsContact CB-CD2 3.49Å; L790-L797 HydrophobicContact CD1-CD2 3.9Å; L790-L797 HydrophobicContact CG-CD2 4.25Å; N793-L797 PolarHBondContact O-N 2.97Å; N793-L797 VanDerWaalsContact O-N 3.13Å; P794-L797 PolarHBondContact O-N 2.76Å; L797-H799 VanDerWaalsContact C-N 3.31Å; L797-H799 PolarHBondContact O-N 3.43Å; L797-T800 CarbonylContact O-C 3.6Å; L797-T800 WeakPolarHBondContact O-CA 3.48Å; L797-T800 VanDerWaalsContact O-CB 3.31Å; L797-T800 WeakPolarHBondContact O-CB 3.47Å; L797-T800 PolarHBondContact O-N 3Å; L797-L801 HydrophobicContact CD1-CD1 4.14Å; L797-L801 HydrophobicContact CD1-CD2 4.32Å; L797-L801 HydrophobicContact CD1-CG 3.97Å; L797-L801 HydrophobicContact CD2-CD1 4.3Å; L797-L801 HydrophobicContact CG-CD1 3.89Å; L797-L801 HydrophobicContact CG-CG 4.14Å; L797-L801 WeakPolarHBondContact O-CG 3.34Å; L797-L801 PolarHBondContact O-N 2.89Å |
| 798 | L | 90 | Very high | 86.1 | Confident | 22 Ų | 22 | 56.4 Ų | 56.4 | 12% | 0.115 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.3 | -45.6 | -177.5 | -71.2 | 176.9 | 0 | 0 | 0 | 111.5 | P794 T800 L801 E802 T814 L847 P851 | P794-L798 VanDerWaalsContact O-CG 3.31Å; P794-L798 WeakPolarHBondContact O-CG 3.42Å; P794-L798 PolarHBondContact O-N 3.18Å; L798-T800 VanDerWaalsContact C-N 3.28Å; L798-T800 PolarHBondContact O-N 2.93Å; L798-L801 PolarHBondContact O-N 3.24Å; L798-E802 WeakPolarHBondContact O-CG 3.24Å; L798-E802 PolarHBondContact O-N 3.4Å; L798-E802 VanDerWaalsContact O-N 3.08Å; L798-T814 HydrophobicContact CD2-CG2 4.48Å; L798-L847 HydrophobicContact CD1-CD1 4.14Å; L798-L847 HydrophobicContact CD1-CD2 4.12Å; L798-P851 HydrophobicContact CD1-CG 4.33Å; L798-P851 HydrophobicContact CD2-CG 3.66Å |
| 799 | H | 89.6 | Confident | 84.4 | Confident | 79 Ų | 79 | 60.1 Ų | 60.1 | 37% | 0.366 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.6 | -30.6 | 176 | 175.5 | -98.4 | 0 | 0 | 0 | 113.1 | D795 L797 R803 | D795-H799 VanDerWaalsContact O-CB 3.25Å; D795-H799 WeakPolarHBondContact O-CB 3.41Å; D795-H799 PolarHBondContact O-N 3.01Å; D795-H799 VanDerWaalsContact O-N 3.08Å; L797-H799 VanDerWaalsContact C-N 3.31Å; L797-H799 PolarHBondContact O-N 3.43Å; H799-R803 PolarHBondContact CE1-NE 3.24Å; H799-R803 PolarHBondContact CE1-NH2 3.43Å; H799-R803 PolarHBondContact NE2-NE 3.07Å; H799-R803 PolarHBondContact NE2-NH2 3.05Å; H799-R803 WeakPolarHBondContact O-CG 3.5Å; H799-R803 PolarHBondContact O-N 3.17Å |
| 800 | T | 90.3 | Very high | 82.4 | Confident | 7 Ų | 7 | 66.8 Ų | 66.8 | 4% | 0.043 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.3 | -48.8 | 173.1 | -63.1 | 0 | 0 | 0 | 0 | 110.9 | P759 V762 L796 L797 L798 E802 R803 I804 | P759-T800 HydrophobicContact CB-CG2 3.95Å; V762-T800 HydrophobicContact CB-CG2 4.23Å; V762-T800 HydrophobicContact CG1-CG2 4.15Å; L796-T800 VanDerWaalsContact O-CB 3.31Å; L796-T800 WeakPolarHBondContact O-CB 3.37Å; L796-T800 PolarHBondContact O-N 2.98Å; L796-T800 PolarHBondContact O-OG1 3.16Å; L797-T800 CarbonylContact O-C 3.6Å; L797-T800 WeakPolarHBondContact O-CA 3.48Å; L797-T800 VanDerWaalsContact O-CB 3.31Å; L797-T800 WeakPolarHBondContact O-CB 3.47Å; L797-T800 PolarHBondContact O-N 3Å; L798-T800 VanDerWaalsContact C-N 3.28Å; L798-T800 PolarHBondContact O-N 2.93Å; T800-E802 PolarHBondContact O-N 2.94Å; T800-R803 PolarHBondContact O-N 3.48Å; T800-I804 HydrophobicContact CG2-CD1 3.64Å; T800-I804 HydrophobicContact CG2-CG1 4.21Å; T800-I804 WeakPolarHBondContact O-CG1 3.38Å; T800-I804 PolarHBondContact O-N 3.16Å; T800-I804 VanDerWaalsContact O-N 3.07Å |
| 801 | L | 88.6 | Confident | 81.1 | Confident | 2 Ų | 2 | 67.9 Ų | 67.9 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.8 | -31 | 179.6 | -66.9 | 175.1 | 0 | 0 | 0 | 113.1 | V762 L766 L797 L798 R803 I813 T814 F817 | V762-L801 HydrophobicContact CG1-CD2 4.13Å; L766-L801 HydrophobicContact CD1-CD2 3.53Å; L797-L801 HydrophobicContact CD1-CD1 4.14Å; L797-L801 HydrophobicContact CD1-CD2 4.32Å; L797-L801 HydrophobicContact CD1-CG 3.97Å; L797-L801 HydrophobicContact CD2-CD1 4.3Å; L797-L801 HydrophobicContact CG-CD1 3.89Å; L797-L801 HydrophobicContact CG-CG 4.14Å; L797-L801 WeakPolarHBondContact O-CG 3.34Å; L797-L801 PolarHBondContact O-N 2.89Å; L798-L801 PolarHBondContact O-N 3.24Å; L801-R803 VanDerWaalsContact C-N 3.33Å; L801-I813 PolarHBondContact O-N 3.41Å; L801-T814 WeakPolarHBondContact CB-OG1 3.21Å; L801-T814 HydrophobicContact CD1-CG2 4.33Å; L801-F817 HydrophobicContact CD1-CD1 3.93Å; L801-F817 HydrophobicContact CD1-CE1 4.45Å |
| 802 | E | 84.6 | Confident | 79.8 | Confident | 122 Ų | 122 | 70 Ų | 70 | 57% | 0.57 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -71.7 | -25.6 | 174.1 | -74.5 | 179.3 | 179.5 | 0 | 0 | 113.5 | L798 T800 | L798-E802 WeakPolarHBondContact O-CG 3.24Å; L798-E802 PolarHBondContact O-N 3.4Å; L798-E802 VanDerWaalsContact O-N 3.08Å; T800-E802 PolarHBondContact O-N 2.94Å |
| 803 | R | 84.8 | Confident | 79.4 | Confident | 176 Ų | 176 | 69 Ų | 69 | 66% | 0.664 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -93.3 | -30.6 | -176.3 | -75.4 | -179.2 | 174.5 | -159.4 | 1.6 | 113.9 | H799 T800 L801 Q805 | H799-R803 PolarHBondContact CE1-NE 3.24Å; H799-R803 PolarHBondContact CE1-NH2 3.43Å; H799-R803 PolarHBondContact NE2-NE 3.07Å; H799-R803 PolarHBondContact NE2-NH2 3.05Å; H799-R803 WeakPolarHBondContact O-CG 3.5Å; H799-R803 PolarHBondContact O-N 3.17Å; T800-R803 PolarHBondContact O-N 3.48Å; L801-R803 VanDerWaalsContact C-N 3.33Å; R803-Q805 PolarHBondContact O-N 2.84Å |
| 804 | I | 83.3 | Confident | 79 | Confident | 14 Ų | 14 | 67.1 Ų | 67.1 | 7% | 0.072 | 35% | 0.352 | C | S | . | . | trans | -68.1 | 130.5 | -179.7 | -61.7 | 165.2 | 0 | 0 | 0 | 108.7 | V762 Q763 L766 T800 I813 | V762-I804 HydrophobicContact CG1-CD1 4.07Å; Q763-I804 HydrophobicContact CB-CD1 3.92Å; Q763-I804 HydrophobicContact CB-CG1 4.29Å; Q763-I804 HydrophobicContact CG-CG1 4.48Å; Q763-I804 HydrophobicContact CG-CG2 4.34Å; L766-I804 HydrophobicContact CD1-CD1 4.06Å; T800-I804 HydrophobicContact CG2-CD1 3.64Å; T800-I804 HydrophobicContact CG2-CG1 4.21Å; T800-I804 WeakPolarHBondContact O-CG1 3.38Å; T800-I804 PolarHBondContact O-N 3.16Å; T800-I804 VanDerWaalsContact O-N 3.07Å; I804-I813 HydrophobicContact CB-CD1 3.64Å; I804-I813 HydrophobicContact CG2-CD1 3.25Å; I804-I813 VanDerWaalsContact O-CD1 3.24Å; I804-I813 WeakPolarHBondContact O-CD1 3.49Å | ||
| 805 | Q | 73.8 | Confident | 78.6 | Confident | 170 Ų | 170 | 68.7 Ų | 68.7 | 79% | 0.794 | 36% | 0.361 | S | S | * | . | trans | -120.7 | 113.4 | 173.6 | -66.5 | -176.8 | 4.4 | 0 | 0 | 108.4 | R803 | R803-Q805 PolarHBondContact O-N 2.84Š| ||
| 806 | L | 68.4 | Low | 78.3 | Confident | 14 Ų | 14 | 66.3 Ų | 66.3 | 7% | 0.073 | 35% | 0.347 | C | S | . | . | trans | -83.7 | 145.6 | 179 | -75.3 | 162.1 | 0 | 0 | 0 | 111 | E767 T770 H808 N809 I813 | E767-L806 HydrophobicContact CB-CD2 4.26Å; E767-L806 HydrophobicContact CG-CD2 3.57Å; T770-L806 HydrophobicContact CG2-CB 4.26Å; T770-L806 HydrophobicContact CG2-CD1 3.42Å; T770-L806 VanDerWaalsContact CG2-CD1 3.42Å; T770-L806 HydrophobicContact CG2-CD2 3.72Å; T770-L806 HydrophobicContact CG2-CG 3.97Å; L806-H808 PolarHBondContact O-N 3.32Å; L806-N809 PolarHBondContact O-N 3.44Å; L806-I813 HydrophobicContact CB-CD1 4.18Å; L806-I813 HydrophobicContact CD1-CD1 3.4Å; L806-I813 VanDerWaalsContact CD1-CD1 3.4Å; L806-I813 HydrophobicContact CD1-CG1 3.78Å; L806-I813 HydrophobicContact CD1-CG2 4.17Å; L806-I813 HydrophobicContact CG-CD1 3.43Å; L806-I813 VanDerWaalsContact CG-CD1 3.43Å; L806-I813 HydrophobicContact CG-CG1 4.21Å | ||
| 807 | P | 57.6 | Low | 78.1 | Confident | 91 Ų | 91 | 65.1 Ų | 65.1 | 59% | 0.591 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 131.8 | 170.9 | -18.2 | 29.9 | 0 | 0 | 0 | 109.6 | ||
| 808 | H | 60.8 | Low | 77.9 | Confident | 193 Ų | 193 | 65.2 Ų | 65.2 | 89% | 0.894 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | 3.5 | 178.9 | -45.2 | -70.5 | 0 | 0 | 0 | 118.3 | L806 | L806-H808 PolarHBondContact O-N 3.32Š|
| 809 | N | 60.4 | Low | 77.8 | Confident | 77 Ų | 77 | 67.2 Ų | 67.2 | 41% | 0.412 | 35% | 0.351 | S | S | . | . | trans | -135.8 | 102.2 | 174.3 | -133.8 | -32.6 | 0 | 0 | 0 | 113.2 | L806 G811 Q816 | L806-N809 PolarHBondContact O-N 3.44Å; N809-G811 PolarHBondContact O-N 3.33Å; N809-Q816 PolarHBondContact ND2-NE2 3.03Å; N809-Q816 PolarHBondContact OD1-NE2 3.15Å | ||
| 810 | P | 55 | Low | 77.8 | Confident | 140 Ų | 140 | 66.6 Ų | 66.6 | 91% | 0.909 | 35% | 0.349 | S | S | * | . | trans | -82.6 | 38.5 | -169.3 | 33.2 | -34.9 | 0 | 0 | 0 | 114.6 | ||||
| 811 | G | 65.7 | Low | 77.8 | Confident | 28 Ų | 28 | 66.3 Ų | 66.3 | 29% | 0.289 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -140.6 | 167 | -180 | 0 | 0 | 0 | 0 | 0 | 113.8 | N809 I813 | N809-G811 PolarHBondContact O-N 3.33Å; G811-I813 PolarHBondContact O-N 3.02Å |
| 812 | P | 68.4 | Low | 78 | Confident | 76 Ų | 76 | 66.6 Ų | 66.6 | 49% | 0.494 | 35% | 0.348 | S | S | . | . | trans | -59.2 | 131.4 | 176.5 | -17.3 | 29.3 | 0 | 0 | 0 | 110.9 | T814 | P812-T814 PolarHBondContact O-N 2.92Š| ||
| 813 | I | 84.1 | Confident | 78.2 | Confident | 4 Ų | 4 | 65.9 Ų | 65.9 | 2% | 0.021 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -16 | -174.2 | -63.5 | 159.5 | 0 | 0 | 0 | 111.6 | L766 L801 I804 L806 G811 V815 Q816 F817 | L766-I813 HydrophobicContact CD1-CG2 4.11Å; L801-I813 PolarHBondContact O-N 3.41Å; I804-I813 HydrophobicContact CB-CD1 3.64Å; I804-I813 HydrophobicContact CG2-CD1 3.25Å; I804-I813 VanDerWaalsContact O-CD1 3.24Å; I804-I813 WeakPolarHBondContact O-CD1 3.49Å; L806-I813 HydrophobicContact CB-CD1 4.18Å; L806-I813 HydrophobicContact CD1-CD1 3.4Å; L806-I813 VanDerWaalsContact CD1-CD1 3.4Å; L806-I813 HydrophobicContact CD1-CG1 3.78Å; L806-I813 HydrophobicContact CD1-CG2 4.17Å; L806-I813 HydrophobicContact CG-CD1 3.43Å; L806-I813 VanDerWaalsContact CG-CD1 3.43Å; L806-I813 HydrophobicContact CG-CG1 4.21Å; G811-I813 PolarHBondContact O-N 3.02Å; I813-V815 PolarHBondContact O-N 3.26Å; I813-Q816 WeakPolarHBondContact O-CA 3.47Å; I813-Q816 WeakPolarHBondContact O-CB 3.38Å; I813-Q816 PolarHBondContact O-N 3.24Å; I813-F817 PolarHBondContact O-N 3.02Å |
| 814 | T | 85.1 | Confident | 78.4 | Confident | 8 Ų | 8 | 58.3 Ų | 58.3 | 5% | 0.049 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -45.7 | -42 | 176.6 | -41.1 | 0 | 0 | 0 | 0 | 112.9 | L798 L801 P812 I818 P851 | L798-T814 HydrophobicContact CD2-CG2 4.48Å; L801-T814 WeakPolarHBondContact CB-OG1 3.21Å; L801-T814 HydrophobicContact CD1-CG2 4.33Å; P812-T814 PolarHBondContact O-N 2.92Å; T814-I818 HydrophobicContact CG2-CD1 3.97Å; T814-I818 WeakPolarHBondContact O-CB 3.49Å; T814-I818 WeakPolarHBondContact O-CD1 3.39Å; T814-I818 VanDerWaalsContact O-CG1 3.3Å; T814-I818 WeakPolarHBondContact O-CG1 3.28Å; T814-I818 PolarHBondContact O-N 2.85Å; T814-I818 VanDerWaalsContact O-N 3.13Å; T814-P851 HydrophobicContact CG2-CB 4.17Å; T814-P851 HydrophobicContact CG2-CG 4.31Å |
| 815 | V | 85.1 | Confident | 78.7 | Confident | 71 Ų | 71 | 58 Ų | 58 | 43% | 0.43 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.4 | -43.1 | 178.8 | 179 | 0 | 0 | 0 | 0 | 111.7 | I813 N819 A853 | I813-V815 PolarHBondContact O-N 3.26Å; V815-N819 WeakPolarHBondContact O-CB 3.43Å; V815-N819 VanDerWaalsContact O-CG 3.28Å; V815-N819 PolarHBondContact O-N 3.38Å; V815-N819 PolarHBondContact O-ND2 2.84Å; V815-A853 HydrophobicContact CB-CB 4.32Å; V815-A853 HydrophobicContact CG2-CB 3.9Å |
| 816 | Q | 84 | Confident | 79.3 | Confident | 64 Ų | 64 | 54.5 Ų | 54.5 | 30% | 0.299 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.3 | -46.6 | -178.8 | -70 | 161.3 | 25.4 | 0 | 0 | 110.9 | N809 I813 I818 N819 Q820 | N809-Q816 PolarHBondContact ND2-NE2 3.03Å; N809-Q816 PolarHBondContact OD1-NE2 3.15Å; I813-Q816 WeakPolarHBondContact O-CA 3.47Å; I813-Q816 WeakPolarHBondContact O-CB 3.38Å; I813-Q816 PolarHBondContact O-N 3.24Å; Q816-I818 PolarHBondContact O-N 3.35Å; Q816-N819 PolarHBondContact O-N 3.35Å; Q816-Q820 VanDerWaalsContact O-CB 3.25Å; Q816-Q820 WeakPolarHBondContact O-CB 3.45Å; Q816-Q820 PolarHBondContact O-N 3.07Å |
| 817 | F | 88.2 | Confident | 80.3 | Confident | 8 Ų | 8 | 55.4 Ų | 55.4 | 4% | 0.035 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -56.9 | -51 | 176.7 | 168.5 | -110.9 | 0 | 0 | 0 | 111.5 | L766 L783 A786 I787 L801 I813 N819 Q820 W821 | L766-F817 HydrophobicContact CD2-CD2 4.28Å; L783-F817 HydrophobicContact CD2-CD2 3.75Å; L783-F817 HydrophobicContact CD2-CE2 3.68Å; A786-F817 HydrophobicContact CB-CD2 4.21Å; A786-F817 HydrophobicContact CB-CE2 3.46Å; A786-F817 VanDerWaalsContact CB-CE2 3.46Å; A786-F817 HydrophobicContact CB-CZ 3.65Å; I787-F817 HydrophobicContact CG1-CZ 4.34Å; L801-F817 HydrophobicContact CD1-CD1 3.93Å; L801-F817 HydrophobicContact CD1-CE1 4.45Å; I813-F817 PolarHBondContact O-N 3.02Å; F817-N819 PolarHBondContact O-N 2.84Å; F817-Q820 PolarHBondContact O-N 3.48Å; F817-W821 AromaticContact CE1-CE3 3.96Å; F817-W821 HydrophobicContact CE1-CE3 3.96Å; F817-W821 HydrophobicContact CE1-CZ3 4.34Å; F817-W821 HydrophobicContact CZ-CD2 4.48Å; F817-W821 AromaticContact CZ-CE3 3.89Å; F817-W821 HydrophobicContact CZ-CE3 3.89Å; F817-W821 HydrophobicContact CZ-CZ3 4.37Å; F817-W821 VanDerWaalsContact O-CB 3.32Å; F817-W821 WeakPolarHBondContact O-CB 3.41Å; F817-W821 PolarHBondContact O-N 3.29Å |
| 818 | I | 89.1 | Confident | 81.7 | Confident | 3 Ų | 3 | 51.1 Ų | 51.1 | 2% | 0.015 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.4 | -43.6 | -178.6 | -70.5 | 168.3 | 0 | 0 | 0 | 111.2 | T814 Q816 W821 M822 L844 A853 V854 V857 | T814-I818 HydrophobicContact CG2-CD1 3.97Å; T814-I818 WeakPolarHBondContact O-CB 3.49Å; T814-I818 WeakPolarHBondContact O-CD1 3.39Å; T814-I818 VanDerWaalsContact O-CG1 3.3Å; T814-I818 WeakPolarHBondContact O-CG1 3.28Å; T814-I818 PolarHBondContact O-N 2.85Å; T814-I818 VanDerWaalsContact O-N 3.13Å; Q816-I818 PolarHBondContact O-N 3.35Å; I818-W821 PolarHBondContact O-N 2.9Å; I818-M822 WeakPolarHBondContact O-CG 3.37Å; I818-M822 PolarHBondContact O-N 3.47Å; I818-L844 HydrophobicContact CG1-CD1 4.44Å; I818-A853 HydrophobicContact CB-CB 4.44Å; I818-A853 HydrophobicContact CD1-CB 3.64Å; I818-V854 HydrophobicContact CD1-CG2 3.64Å; I818-V857 HydrophobicContact CG2-CB 4.43Å; I818-V857 HydrophobicContact CG2-CG1 4.04Å; I818-V857 HydrophobicContact CG2-CG2 3.56Å |
| 819 | N | 88 | Confident | 82.9 | Confident | 64 Ų | 64 | 45.5 Ų | 45.5 | 34% | 0.342 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 178.1 | -75.3 | -26.4 | 0 | 0 | 0 | 112.2 | V815 Q816 F817 M822 N823 | V815-N819 WeakPolarHBondContact O-CB 3.43Å; V815-N819 VanDerWaalsContact O-CG 3.28Å; V815-N819 PolarHBondContact O-N 3.38Å; V815-N819 PolarHBondContact O-ND2 2.84Å; Q816-N819 PolarHBondContact O-N 3.35Å; F817-N819 PolarHBondContact O-N 2.84Å; N819-M822 PolarHBondContact O-N 3.39Å; N819-N823 WeakPolarHBondContact O-CB 3.47Å; N819-N823 PolarHBondContact O-N 2.91Å; N819-N823 PolarHBondContact O-ND2 3.34Å |
| 820 | Q | 87.8 | Confident | 84 | Confident | 67 Ų | 67 | 41.9 Ų | 41.9 | 31% | 0.313 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.2 | -46.2 | 176.9 | -168.9 | 65.8 | 35.2 | 0 | 0 | 110.5 | L783 Q816 F817 M822 N823 D824 | L783-Q820 HydrophobicContact CD2-CG 4.4Å; Q816-Q820 VanDerWaalsContact O-CB 3.25Å; Q816-Q820 WeakPolarHBondContact O-CB 3.45Å; Q816-Q820 PolarHBondContact O-N 3.07Å; F817-Q820 PolarHBondContact O-N 3.48Å; Q820-M822 PolarHBondContact O-N 3.36Å; Q820-N823 PolarHBondContact O-N 3.02Å; Q820-D824 WeakPolarHBondContact CG-OD2 3.36Å; Q820-D824 VanDerWaalsContact NE2-CG 3.34Å; Q820-D824 PolarHBondContact NE2-OD1 3.21Å; Q820-D824 PolarHBondContact NE2-OD2 3.03Å; Q820-D824 PolarHBondContact O-N 3.48Å |
| 821 | W | 91.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60 | -42.5 | 176.9 | -177.4 | 18 | 0 | 0 | 0 | 112.8 | L783 I787 L790 F817 I818 T825 C837 G840 L841 L844 | L783-W821 HydrophobicContact CD2-CB 4.38Å; I787-W821 HydrophobicContact CD1-CD2 4.05Å; I787-W821 VanDerWaalsContact CD1-CE2 3.4Å; I787-W821 HydrophobicContact CD1-CG 4.39Å; I787-W821 HydrophobicContact CD1-CH2 4.39Å; I787-W821 HydrophobicContact CD1-CZ2 3.62Å; I787-W821 HydrophobicContact CG1-CD2 4.15Å; I787-W821 HydrophobicContact CG1-CE3 4.4Å; I787-W821 HydrophobicContact CG1-CH2 3.91Å; I787-W821 HydrophobicContact CG1-CZ2 3.64Å; I787-W821 HydrophobicContact CG1-CZ3 4.28Å; I787-W821 HydrophobicContact CG2-CH2 4.38Å; I787-W821 HydrophobicContact CG2-CZ2 4.22Å; L790-W821 HydrophobicContact CD2-CH2 4.16Å; L790-W821 HydrophobicContact CD2-CZ3 4.2Å; F817-W821 AromaticContact CE1-CE3 3.96Å; F817-W821 HydrophobicContact CE1-CE3 3.96Å; F817-W821 HydrophobicContact CE1-CZ3 4.34Å; F817-W821 HydrophobicContact CZ-CD2 4.48Å; F817-W821 AromaticContact CZ-CE3 3.89Å; F817-W821 HydrophobicContact CZ-CE3 3.89Å; F817-W821 HydrophobicContact CZ-CZ3 4.37Å; F817-W821 VanDerWaalsContact O-CB 3.32Å; F817-W821 WeakPolarHBondContact O-CB 3.41Å; F817-W821 PolarHBondContact O-N 3.29Å; I818-W821 PolarHBondContact O-N 2.9Å; W821-T825 PolarHBondContact O-N 3.18Å; W821-T825 PolarHBondContact O-OG1 3.15Å; W821-T825 VanDerWaalsContact O-OG1 3.11Å; W821-C837 PolarHBondContact NE1-SG 3.2Å; W821-G840 VanDerWaalsContact CH2-C 3.47Å; W821-L841 HydrophobicContact CD2-CD2 4.31Å; W821-L841 HydrophobicContact CE3-CD2 4.5Å; W821-L841 HydrophobicContact CH2-CD2 3.83Å; W821-L841 HydrophobicContact CH2-CG 4.15Å; W821-L841 HydrophobicContact CZ2-CD2 3.57Å; W821-L841 HydrophobicContact CZ2-CG 3.63Å; W821-L841 HydrophobicContact CZ3-CD2 4.28Å; W821-L844 HydrophobicContact CE3-CD1 4.26Å; W821-L844 HydrophobicContact CH2-CD1 4.41Å; W821-L844 HydrophobicContact CZ3-CD1 3.59Å |
| 822 | M | 91.4 | Very high | 86.7 | Confident | 9 Ų | 9 | 35.9 Ų | 35.9 | 4% | 0.044 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.4 | -41.6 | 175.1 | -65.6 | -52.3 | 104.8 | 0 | 0 | 112.2 | I818 N819 Q820 D824 T825 L841 V857 Q860 I861 | I818-M822 WeakPolarHBondContact O-CG 3.37Å; I818-M822 PolarHBondContact O-N 3.47Å; N819-M822 PolarHBondContact O-N 3.39Å; Q820-M822 PolarHBondContact O-N 3.36Å; M822-D824 VanDerWaalsContact C-N 3.34Å; M822-D824 PolarHBondContact O-N 2.86Å; M822-T825 PolarHBondContact O-OG1 3.48Å; M822-T825 VanDerWaalsContact O-OG1 3.07Å; M822-L841 HydrophobicContact CE-CD2 3.36Å; M822-L841 HydrophobicContact SD-CD2 4.3Å; M822-V857 HydrophobicContact CG-CB 3.88Å; M822-V857 HydrophobicContact CG-CG1 3.9Å; M822-V857 HydrophobicContact CG-CG2 4.13Å; M822-V857 HydrophobicContact SD-CB 4.43Å; M822-V857 HydrophobicContact SD-CG2 4.32Å; M822-Q860 HydrophobicContact SD-CB 4.44Å; M822-I861 HydrophobicContact SD-CG1 4.49Å |
| 823 | N | 89.1 | Confident | 87.7 | Confident | 107 Ų | 107 | 32.4 Ų | 32.4 | 57% | 0.572 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -67.2 | -33.8 | -179 | -70.3 | -23.3 | 0 | 0 | 0 | 112.9 | N819 Q820 | N819-N823 WeakPolarHBondContact O-CB 3.47Å; N819-N823 PolarHBondContact O-N 2.91Å; N819-N823 PolarHBondContact O-ND2 3.34Å; Q820-N823 PolarHBondContact O-N 3.02Å |
| 824 | D | 89.6 | Confident | 88.1 | Confident | 17 Ų | 17 | 32.7 Ų | 32.7 | 9% | 0.091 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 14.2 | -175.8 | -57.5 | -22.4 | 0 | 0 | 0 | 112.7 | R779 L783 Q820 M822 D826 C827 F828 | R779-D824 WeakPolarHBondContact CD-OD2 3.36Å; L783-D824 HydrophobicContact CD1-CB 4.14Å; Q820-D824 WeakPolarHBondContact CG-OD2 3.36Å; Q820-D824 VanDerWaalsContact NE2-CG 3.34Å; Q820-D824 PolarHBondContact NE2-OD1 3.21Å; Q820-D824 PolarHBondContact NE2-OD2 3.03Å; Q820-D824 PolarHBondContact O-N 3.48Å; M822-D824 VanDerWaalsContact C-N 3.34Å; M822-D824 PolarHBondContact O-N 2.86Å; D824-D826 PolarHBondContact O-N 3Å; D824-C827 HydrophobicContact CB-CB 4.44Å; D824-C827 WeakPolarHBondContact O-CB 3.4Å; D824-C827 PolarHBondContact O-N 3Å; D824-F828 VanDerWaalsContact O-CD2 3.29Å; D824-F828 WeakPolarHBondContact O-CD2 3.29Å |
| 825 | T | 89.1 | Confident | 88.4 | Confident | 7 Ų | 7 | 32.8 Ų | 32.8 | 4% | 0.043 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -58.2 | -33.5 | -179.1 | -64.1 | 0 | 0 | 0 | 0 | 112 | W821 M822 C827 L868 | W821-T825 PolarHBondContact O-N 3.18Å; W821-T825 PolarHBondContact O-OG1 3.15Å; W821-T825 VanDerWaalsContact O-OG1 3.11Å; M822-T825 PolarHBondContact O-OG1 3.48Å; M822-T825 VanDerWaalsContact O-OG1 3.07Å; T825-C827 PolarHBondContact O-N 3.14Å; T825-L868 HydrophobicContact CG2-CD1 4Å; T825-L868 HydrophobicContact CG2-CD2 3.98Å; T825-L868 HydrophobicContact CG2-CG 3.87Å |
| 826 | D | 87 | Confident | 88.8 | Confident | 96 Ų | 96 | 29.4 Ų | 29.4 | 51% | 0.513 | 15% | 0.152 | S | C | . | . | G | 310 helix | trans | -71.6 | -16.9 | 178.2 | 62 | -20.5 | 0 | 0 | 0 | 114 | D824 F867 | D824-D826 PolarHBondContact O-N 3Å; D826-F867 HydrophobicContact CB-CE1 4.03Å; D826-F867 HydrophobicContact CB-CZ 4.16Å |
| 827 | C | 88.4 | Confident | 89.3 | Confident | 33 Ų | 33 | 26.4 Ų | 26.4 | 22% | 0.223 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -86.8 | -0.6 | 179.1 | -58.4 | 0 | 0 | 0 | 0 | 113.8 | T780 D824 T825 L829 | T780-C827 PolarHBondContact OG1-O 3.09Å; D824-C827 HydrophobicContact CB-CB 4.44Å; D824-C827 WeakPolarHBondContact O-CB 3.4Å; D824-C827 PolarHBondContact O-N 3Å; T825-C827 PolarHBondContact O-N 3.14Å; C827-L829 PolarHBondContact O-N 2.8Å |
| 828 | F | 88.8 | Confident | 89.6 | Confident | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.009 | 14% | 0.136 | C | C | . | . | trans | -83.5 | 93.6 | 174 | -74 | -106.2 | 0 | 0 | 0 | 109.3 | T780 L783 Q784 I787 D824 D833 R834 C837 L868 | T780-F828 HydrophobicContact CG2-CD1 3.56Å; T780-F828 HydrophobicContact CG2-CD2 3.97Å; T780-F828 HydrophobicContact CG2-CE1 3.59Å; T780-F828 HydrophobicContact CG2-CE2 3.98Å; T780-F828 HydrophobicContact CG2-CG 3.76Å; T780-F828 HydrophobicContact CG2-CZ 3.79Å; L783-F828 HydrophobicContact CB-CZ 4.33Å; Q784-F828 HydrophobicContact CG-CD1 4.47Å; Q784-F828 HydrophobicContact CG-CE1 3.71Å; I787-F828 HydrophobicContact CD1-CE1 4.02Å; I787-F828 HydrophobicContact CD1-CZ 3.86Å; D824-F828 VanDerWaalsContact O-CD2 3.29Å; D824-F828 WeakPolarHBondContact O-CD2 3.29Å; F828-D833 HydrophobicContact CB-CB 4.2Å; F828-D833 HydrophobicContact CD1-CB 3.97Å; F828-D833 WeakPolarHBondContact CD1-O 3.5Å; F828-R834 HydrophobicContact CB-CG 4.3Å; F828-R834 WeakPolarHBondContact O-CG 3.27Å; F828-R834 VanDerWaalsContact O-CZ 3.31Å; F828-R834 PolarHBondContact O-NE 3.18Å; F828-C837 HydrophobicContact CD1-CB 3.68Å; F828-C837 HydrophobicContact CE1-CB 3.86Å; F828-C837 HydrophobicContact CG-CB 4.14Å; F828-C837 HydrophobicContact CZ-CB 4.47Å; F828-L868 HydrophobicContact CB-CD2 3.99Å | ||
| 829 | L | 84.3 | Confident | 89.9 | Confident | 75 Ų | 75 | 25.9 Ų | 25.9 | 39% | 0.393 | 14% | 0.136 | S | C | . | . | trans | -97.5 | -20.6 | -168.7 | -62.5 | -180 | 0 | 0 | 0 | 114.7 | C827 R834 L937 | C827-L829 PolarHBondContact O-N 2.8Å; L829-R834 VanDerWaalsContact C-CZ 3.5Å; L829-R834 PolarHBondContact O-NH1 3.13Å; L829-R834 PolarHBondContact O-NH2 3.29Å; L829-L937 HydrophobicContact CD2-CD2 4.38Å | ||
| 830 | G | 83.9 | Confident | 90.2 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -81.6 | 163.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | D833 R834 E943 | G830-D833 PolarHBondContact N-OD2 3.44Å; G830-R834 VanDerWaalsContact O-CG 3.28Å; G830-R834 WeakPolarHBondContact O-CG 3.28Å; G830-R834 PolarHBondContact O-N 2.73Å; G830-R834 VanDerWaalsContact O-N 3.14Å; G830-R834 PolarHBondContact O-NH1 3.4Å; G830-E943 WeakPolarHBondContact CA-OE1 3.11Å |
| 831 | H | 86.9 | Confident | 90.5 | Very high | 37 Ų | 37 | 19.6 Ų | 19.6 | 17% | 0.171 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.6 | -51 | 169.7 | 178 | -87 | 0 | 0 | 0 | 110.6 | D833 K835 V875 E943 | H831-D833 VanDerWaalsContact C-N 3.33Å; H831-D833 PolarHBondContact O-N 3.38Å; H831-K835 WeakPolarHBondContact O-CB 3.39Å; H831-K835 PolarHBondContact O-N 3.14Å; H831-V875 HydrophobicContact CB-CG1 4.35Å; H831-E943 PolarHBondContact N-OE1 3.18Å |
| 832 | H | 90.2 | Very high | 90.6 | Very high | 4 Ų | 4 | 19.6 Ų | 19.6 | 2% | 0.019 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.1 | -47.1 | 175.3 | 178.2 | 82.4 | 0 | 0 | 0 | 111.1 | K740 E743 R834 K835 M836 T947 D950 | K740-H832 PolarHBondContact NZ-CD2 3.42Å; K740-H832 PolarHBondContact NZ-NE2 3.08Å; K740-H832 VanDerWaalsContact NZ-NE2 3.2Å; E743-H832 IonicContact OE1-NE2 3.36Å; E743-H832 PolarHBondContact OE1-NE2 3.05Å; E743-H832 IonicContact OE2-NE2 2.82Å; E743-H832 PolarHBondContact OE2-NE2 2.91Å; H832-R834 PolarHBondContact O-N 2.73Å; H832-K835 WeakPolarHBondContact O-CB 3.38Å; H832-K835 PolarHBondContact O-N 2.82Å; H832-K835 VanDerWaalsContact O-N 3.16Å; H832-M836 WeakPolarHBondContact NE2-CG 3.36Å; H832-M836 WeakPolarHBondContact O-CB 3.41Å; H832-M836 PolarHBondContact O-N 3.31Å; H832-T947 PolarHBondContact CE1-OG1 2.94Å; H832-T947 VanDerWaalsContact CE1-OG1 3.25Å; H832-D950 IonicContact CE1-OD1 3.49Å; H832-D950 IonicContact CE1-OD2 3.03Å; H832-D950 IonicContact CG-OD1 2.73Å; H832-D950 VanDerWaalsContact ND1-CG 3.26Å; H832-D950 IonicContact ND1-OD1 2.81Å; H832-D950 PolarHBondContact ND1-OD1 3.36Å; H832-D950 IonicContact ND1-OD2 2.75Å; H832-D950 PolarHBondContact ND1-OD2 2.99Å |
| 833 | D | 90.9 | Very high | 90.7 | Very high | 4 Ų | 4 | 20 Ų | 20 | 2% | 0.021 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -56.1 | -50.5 | -177.8 | -62.2 | -5.8 | 0 | 0 | 0 | 112.6 | Q784 F828 G830 H831 M836 C837 | Q784-D833 PolarHBondContact NE2-OD1 2.91Å; F828-D833 HydrophobicContact CB-CB 4.2Å; F828-D833 HydrophobicContact CD1-CB 3.97Å; F828-D833 WeakPolarHBondContact CD1-O 3.5Å; G830-D833 PolarHBondContact N-OD2 3.44Å; H831-D833 VanDerWaalsContact C-N 3.33Å; H831-D833 PolarHBondContact O-N 3.38Å; D833-M836 PolarHBondContact O-N 3.08Å; D833-C837 VanDerWaalsContact O-CB 3.26Å; D833-C837 WeakPolarHBondContact O-CB 3.25Å; D833-C837 PolarHBondContact O-N 2.89Å |
| 834 | R | 91.6 | Very high | 90.7 | Very high | 10 Ų | 10 | 15.2 Ų | 15.2 | 4% | 0.038 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65.9 | -41.5 | 179 | -69.2 | -172.3 | -168.5 | 89.2 | -3.7 | 111.1 | F828 L829 G830 H832 C837 I838 L868 L872 V875 | F828-R834 HydrophobicContact CB-CG 4.3Å; F828-R834 WeakPolarHBondContact O-CG 3.27Å; F828-R834 VanDerWaalsContact O-CZ 3.31Å; F828-R834 PolarHBondContact O-NE 3.18Å; L829-R834 VanDerWaalsContact C-CZ 3.5Å; L829-R834 PolarHBondContact O-NH1 3.13Å; L829-R834 PolarHBondContact O-NH2 3.29Å; G830-R834 VanDerWaalsContact O-CG 3.28Å; G830-R834 WeakPolarHBondContact O-CG 3.28Å; G830-R834 PolarHBondContact O-N 2.73Å; G830-R834 VanDerWaalsContact O-N 3.14Å; G830-R834 PolarHBondContact O-NH1 3.4Å; H832-R834 PolarHBondContact O-N 2.73Å; R834-C837 PolarHBondContact O-N 3.38Å; R834-I838 WeakPolarHBondContact O-CB 3.11Å; R834-I838 WeakPolarHBondContact O-CD1 3.17Å; R834-I838 WeakPolarHBondContact O-CG1 3.17Å; R834-I838 PolarHBondContact O-N 2.93Å; R834-L868 HydrophobicContact CB-CB 4.49Å; R834-L868 HydrophobicContact CB-CD2 4.3Å; R834-L868 WeakPolarHBondContact CD-O 3.37Å; R834-L868 HydrophobicContact CG-CD2 3.87Å; R834-L872 HydrophobicContact CB-CD1 4.27Å; R834-L872 HydrophobicContact CB-CD2 3.85Å; R834-L872 HydrophobicContact CB-CG 3.77Å; R834-V875 VanDerWaalsContact NH1-CG2 3.35Å |
| 835 | K | 92.1 | Very high | 90.7 | Very high | 10 Ų | 10 | 14.4 Ų | 14.4 | 4% | 0.043 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -58.4 | -49 | 175.9 | 176.3 | 168.8 | -170.6 | 174.6 | 0 | 111.4 | H831 H832 I838 I839 L949 S954 V955 E957 | H831-K835 WeakPolarHBondContact O-CB 3.39Å; H831-K835 PolarHBondContact O-N 3.14Å; H832-K835 WeakPolarHBondContact O-CB 3.38Å; H832-K835 PolarHBondContact O-N 2.82Å; H832-K835 VanDerWaalsContact O-N 3.16Å; K835-I838 PolarHBondContact O-N 2.99Å; K835-I839 HydrophobicContact CG-CD1 3.99Å; K835-I839 WeakPolarHBondContact O-CG1 3.25Å; K835-I839 PolarHBondContact O-N 3.17Å; K835-L949 VanDerWaalsContact CE-O 3.31Å; K835-L949 WeakPolarHBondContact CE-O 3.43Å; K835-L949 PolarHBondContact NZ-O 2.95Å; K835-S954 PolarHBondContact NZ-OG 3.24Å; K835-V955 WeakPolarHBondContact CE-O 3.42Å; K835-V955 PolarHBondContact NZ-O 3.12Å; K835-E957 WeakPolarHBondContact CE-OE2 3.48Å; K835-E957 HydrophobicContact CG-CB 4.19Å; K835-E957 IonicContact NZ-OE2 3.08Å |
| 836 | M | 93.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.9 | -45.2 | 177.3 | -83 | -56.6 | -72.1 | 0 | 0 | 112.3 | L747 I787 A788 H832 D833 I839 G840 L949 | L747-M836 HydrophobicContact CD1-CE 4.07Å; L747-M836 HydrophobicContact CD1-SD 4.12Å; L747-M836 HydrophobicContact CD2-CE 3.92Å; L747-M836 HydrophobicContact CD2-SD 4.4Å; I787-M836 HydrophobicContact CG2-CE 4.45Å; I787-M836 WeakPolarHBondContact CG2-O 3.49Å; A788-M836 HydrophobicContact CB-CE 3.8Å; H832-M836 WeakPolarHBondContact NE2-CG 3.36Å; H832-M836 WeakPolarHBondContact O-CB 3.41Å; H832-M836 PolarHBondContact O-N 3.31Å; D833-M836 PolarHBondContact O-N 3.08Å; M836-I839 PolarHBondContact O-N 3.46Å; M836-G840 PolarHBondContact O-N 3.07Å; M836-L949 HydrophobicContact CE-CD1 4.3Å; M836-L949 HydrophobicContact SD-CD1 3.14Å; M836-L949 WeakPolarHBondContact SD-CD1 3.38Å |
| 837 | C | 94.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -62.2 | -44.7 | 178.1 | -166.8 | 0 | 0 | 0 | 0 | 111.7 | W821 F828 D833 R834 I839 G840 L841 L868 | W821-C837 PolarHBondContact NE1-SG 3.2Å; F828-C837 HydrophobicContact CD1-CB 3.68Å; F828-C837 HydrophobicContact CE1-CB 3.86Å; F828-C837 HydrophobicContact CG-CB 4.14Å; F828-C837 HydrophobicContact CZ-CB 4.47Å; D833-C837 VanDerWaalsContact O-CB 3.26Å; D833-C837 WeakPolarHBondContact O-CB 3.25Å; D833-C837 PolarHBondContact O-N 2.89Å; R834-C837 PolarHBondContact O-N 3.38Å; C837-I839 PolarHBondContact O-N 3.35Å; C837-G840 PolarHBondContact O-N 3.35Å; C837-L841 VanDerWaalsContact O-CG 3.32Å; C837-L841 WeakPolarHBondContact O-CG 3.39Å; C837-L841 PolarHBondContact O-N 2.84Å; C837-L868 HydrophobicContact CB-CD1 3.83Å; C837-L868 HydrophobicContact CB-CD2 4.45Å; C837-L868 WeakPolarHBondContact SG-CD1 3.39Å |
| 838 | I | 94.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.2 | -46.2 | 176.5 | -70.1 | 162.1 | 0 | 0 | 0 | 111.5 | R834 K835 G840 L841 S842 I865 L868 F869 L872 E957 F961 | R834-I838 WeakPolarHBondContact O-CB 3.11Å; R834-I838 WeakPolarHBondContact O-CD1 3.17Å; R834-I838 WeakPolarHBondContact O-CG1 3.17Å; R834-I838 PolarHBondContact O-N 2.93Å; K835-I838 PolarHBondContact O-N 2.99Å; I838-G840 VanDerWaalsContact C-N 3.34Å; I838-L841 PolarHBondContact O-N 2.82Å; I838-S842 WeakPolarHBondContact O-CB 3.45Å; I838-S842 PolarHBondContact O-N 3.02Å; I838-S842 PolarHBondContact O-OG 3.08Å; I838-I865 HydrophobicContact CG1-CG2 4.48Å; I838-I865 HydrophobicContact CG2-CG2 4.25Å; I838-L868 HydrophobicContact CD1-CB 3.8Å; I838-L868 HydrophobicContact CG1-CB 3.66Å; I838-L868 HydrophobicContact CG1-CD1 3.88Å; I838-L868 HydrophobicContact CG1-CG 4.44Å; I838-F869 HydrophobicContact CD1-CD1 3.76Å; I838-F869 HydrophobicContact CD1-CE1 3.77Å; I838-F869 HydrophobicContact CD1-CG 4.18Å; I838-F869 HydrophobicContact CD1-CZ 4.18Å; I838-F869 HydrophobicContact CG2-CE1 4.25Å; I838-F869 HydrophobicContact CG2-CE2 4.22Å; I838-F869 HydrophobicContact CG2-CZ 3.73Å; I838-L872 HydrophobicContact CD1-CD1 3.45Å; I838-L872 VanDerWaalsContact CD1-CD1 3.45Å; I838-E957 HydrophobicContact CG2-CB 4.22Å; I838-F961 HydrophobicContact CG2-CB 4.23Å |
| 839 | I | 94.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.7 | -45.1 | 177.8 | -70.9 | 170.7 | 0 | 0 | 0 | 110.1 | Y791 K835 M836 C837 S842 I843 V955 F960 | Y791-I839 HydrophobicContact CD2-CG2 3.4Å; Y791-I839 HydrophobicContact CE2-CG2 3.78Å; Y791-I839 HydrophobicContact CG-CG2 4.22Å; K835-I839 HydrophobicContact CG-CD1 3.99Å; K835-I839 WeakPolarHBondContact O-CG1 3.25Å; K835-I839 PolarHBondContact O-N 3.17Å; M836-I839 PolarHBondContact O-N 3.46Å; C837-I839 PolarHBondContact O-N 3.35Å; I839-S842 WeakPolarHBondContact O-CB 3.19Å; I839-S842 PolarHBondContact O-N 3.26Å; I839-I843 HydrophobicContact CG2-CD1 4.14Å; I839-I843 WeakPolarHBondContact O-CG1 3.11Å; I839-I843 PolarHBondContact O-N 3.02Å; I839-V955 HydrophobicContact CD1-CG1 4.41Å; I839-F960 HydrophobicContact CB-CD1 4.42Å; I839-F960 HydrophobicContact CB-CE1 4.46Å; I839-F960 HydrophobicContact CG1-CD1 4.23Å; I839-F960 HydrophobicContact CG1-CG 4.46Å; I839-F960 HydrophobicContact CG2-CD1 4.24Å; I839-F960 HydrophobicContact CG2-CE1 3.87Å; I839-F960 HydrophobicContact CG2-CZ 4.13Å |
| 840 | G | 94.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57.6 | -51.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L790 W821 M836 C837 I838 S842 I843 L844 | L790-G840 WeakPolarHBondContact CD2-O 3.45Å; W821-G840 VanDerWaalsContact CH2-C 3.47Å; M836-G840 PolarHBondContact O-N 3.07Å; C837-G840 PolarHBondContact O-N 3.35Å; I838-G840 VanDerWaalsContact C-N 3.34Å; G840-S842 VanDerWaalsContact C-N 3.26Å; G840-S842 PolarHBondContact O-N 3.44Å; G840-I843 PolarHBondContact O-N 3.45Å; G840-L844 WeakPolarHBondContact O-CB 3.45Å; G840-L844 PolarHBondContact O-N 3.29Å |
| 841 | L | 94.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.7 | -34.2 | 179.3 | -67.5 | 175.8 | 0 | 0 | 0 | 111.8 | W821 M822 C837 I838 L844 L845 I861 I865 L868 | W821-L841 HydrophobicContact CD2-CD2 4.31Å; W821-L841 HydrophobicContact CE3-CD2 4.5Å; W821-L841 HydrophobicContact CH2-CD2 3.83Å; W821-L841 HydrophobicContact CH2-CG 4.15Å; W821-L841 HydrophobicContact CZ2-CD2 3.57Å; W821-L841 HydrophobicContact CZ2-CG 3.63Å; W821-L841 HydrophobicContact CZ3-CD2 4.28Å; M822-L841 HydrophobicContact CE-CD2 3.36Å; M822-L841 HydrophobicContact SD-CD2 4.3Å; C837-L841 VanDerWaalsContact O-CG 3.32Å; C837-L841 WeakPolarHBondContact O-CG 3.39Å; C837-L841 PolarHBondContact O-N 2.84Å; I838-L841 PolarHBondContact O-N 2.82Å; L841-L844 PolarHBondContact O-N 3.16Å; L841-L845 WeakPolarHBondContact O-CB 3.2Å; L841-L845 PolarHBondContact O-N 3.18Å; L841-I861 HydrophobicContact CB-CG2 4.46Å; L841-I865 HydrophobicContact CB-CD1 3.68Å; L841-I865 HydrophobicContact CB-CG1 3.62Å; L841-I865 HydrophobicContact CD1-CG1 3.62Å; L841-I865 HydrophobicContact CG-CG1 4.27Å; L841-L868 HydrophobicContact CD1-CD1 3.98Å |
| 842 | S | 94.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65 | -41.1 | 174.7 | -59.3 | 0 | 0 | 0 | 0 | 111.9 | I838 I839 G840 L845 E846 F961 | I838-S842 WeakPolarHBondContact O-CB 3.45Å; I838-S842 PolarHBondContact O-N 3.02Å; I838-S842 PolarHBondContact O-OG 3.08Å; I839-S842 WeakPolarHBondContact O-CB 3.19Å; I839-S842 PolarHBondContact O-N 3.26Å; G840-S842 VanDerWaalsContact C-N 3.26Å; G840-S842 PolarHBondContact O-N 3.44Å; S842-L845 WeakPolarHBondContact O-CB 3.43Å; S842-L845 PolarHBondContact O-N 2.95Å; S842-E846 PolarHBondContact O-N 3.23Å; S842-E846 VanDerWaalsContact O-N 3.16Å; S842-F961 WeakPolarHBondContact OG-CA 3.31Å; S842-F961 WeakPolarHBondContact OG-CB 3.36Å |
| 843 | I | 93.1 | Very high | 89.9 | Confident | 17 Ų | 17 | 28.9 Ų | 28.9 | 9% | 0.087 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.6 | -43.3 | 174 | -69.8 | 163.5 | 0 | 0 | 0 | 111 | L790 Y791 P794 I839 G840 L845 E846 L847 F960 | L790-I843 HydrophobicContact CD1-CG2 4.16Å; L790-I843 HydrophobicContact CD2-CB 4.36Å; L790-I843 HydrophobicContact CD2-CG2 4.27Å; L790-I843 HydrophobicContact CG-CB 4.4Å; L790-I843 HydrophobicContact CG-CG2 3.89Å; Y791-I843 HydrophobicContact CD2-CD1 3.63Å; Y791-I843 HydrophobicContact CG-CD1 4.31Å; P794-I843 HydrophobicContact CB-CG2 4.29Å; P794-I843 HydrophobicContact CG-CG2 3.75Å; I839-I843 HydrophobicContact CG2-CD1 4.14Å; I839-I843 WeakPolarHBondContact O-CG1 3.11Å; I839-I843 PolarHBondContact O-N 3.02Å; G840-I843 PolarHBondContact O-N 3.45Å; I843-L845 PolarHBondContact O-N 3.16Å; I843-E846 PolarHBondContact O-N 3.48Å; I843-L847 PolarHBondContact O-N 3.35Å; I843-L847 VanDerWaalsContact O-N 3.16Å; I843-F960 HydrophobicContact CD1-CZ 4.3Å; I843-F960 HydrophobicContact CG1-CE1 3.96Å; I843-F960 HydrophobicContact CG1-CZ 3.93Å |
| 844 | L | 90.4 | Very high | 89.7 | Confident | 6 Ų | 6 | 28.7 Ų | 28.7 | 3% | 0.031 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60 | -35.6 | 179.2 | -165.6 | 139.1 | 0 | 0 | 0 | 111.4 | L790 I818 W821 G840 L841 L847 V854 I861 | L790-L844 HydrophobicContact CD2-CB 4.37Å; I818-L844 HydrophobicContact CG1-CD1 4.44Å; W821-L844 HydrophobicContact CE3-CD1 4.26Å; W821-L844 HydrophobicContact CH2-CD1 4.41Å; W821-L844 HydrophobicContact CZ3-CD1 3.59Å; G840-L844 WeakPolarHBondContact O-CB 3.45Å; G840-L844 PolarHBondContact O-N 3.29Å; L841-L844 PolarHBondContact O-N 3.16Å; L844-L847 HydrophobicContact CG-CD1 4.38Å; L844-V854 HydrophobicContact CD1-CG2 4.26Å; L844-V854 HydrophobicContact CD2-CB 4.21Å; L844-V854 HydrophobicContact CD2-CG1 3.48Å; L844-V854 VanDerWaalsContact CD2-CG1 3.48Å; L844-V854 HydrophobicContact CD2-CG2 3.81Å; L844-V854 HydrophobicContact CG-CG1 4.32Å; L844-V854 HydrophobicContact CG-CG2 3.97Å; L844-I861 HydrophobicContact CD2-CD1 3.67Å; L844-I861 HydrophobicContact CD2-CG1 4.39Å |
| 845 | L | 89.1 | Confident | 89.4 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.9 | -34.3 | 172.8 | -180 | 139.2 | 0 | 0 | 0 | 113.2 | L841 S842 I843 I861 V862 A964 L965 V968 W975 L979 | L841-L845 WeakPolarHBondContact O-CB 3.2Å; L841-L845 PolarHBondContact O-N 3.18Å; S842-L845 WeakPolarHBondContact O-CB 3.43Å; S842-L845 PolarHBondContact O-N 2.95Å; I843-L845 PolarHBondContact O-N 3.16Å; L845-I861 HydrophobicContact CD1-CG2 4.31Å; L845-V862 HydrophobicContact CD1-CG2 4.27Å; L845-A964 HydrophobicContact CD2-CB 4.32Å; L845-L965 HydrophobicContact CD1-CD1 4.1Å; L845-L965 HydrophobicContact CD2-CD1 4.24Å; L845-V968 HydrophobicContact CD2-CB 4Å; L845-V968 HydrophobicContact CD2-CG2 3.41Å; L845-V968 VanDerWaalsContact CD2-CG2 3.41Å; L845-V968 HydrophobicContact CG-CG2 4.14Å; L845-V968 WeakPolarHBondContact O-CG2 3.49Å; L845-W975 PolarHBondContact O-NE1 2.99Å; L845-L979 HydrophobicContact CD1-CD1 3.55Å; L845-L979 HydrophobicContact CD1-CD2 3.95Å; L845-L979 HydrophobicContact CD1-CG 4.35Å; L845-L979 HydrophobicContact CG-CD1 3.9Å |
| 846 | E | 89.9 | Confident | 89.2 | Confident | 57 Ų | 57 | 34.8 Ų | 34.8 | 27% | 0.266 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -83.6 | -7.2 | 179.6 | -73.7 | -164.8 | 134.5 | 0 | 0 | 115.5 | S842 I843 Q848 A964 R971 | S842-E846 PolarHBondContact O-N 3.23Å; S842-E846 VanDerWaalsContact O-N 3.16Å; I843-E846 PolarHBondContact O-N 3.48Å; E846-Q848 PolarHBondContact O-N 3.16Å; E846-A964 HydrophobicContact CG-CB 3.61Å; E846-A964 WeakPolarHBondContact OE1-CA 3.47Å; E846-R971 PolarHBondContact O-NH1 3.31Å; E846-R971 VanDerWaalsContact O-NH1 3.08Å; E846-R971 PolarHBondContact O-NH2 2.86Å |
| 847 | L | 88.6 | Confident | 89 | Confident | 15 Ų | 15 | 34.9 Ų | 34.9 | 8% | 0.079 | 19% | 0.193 | C | C | . | . | trans | -53.9 | 132.8 | -178.5 | -71.5 | 174.9 | 0 | 0 | 0 | 112 | P794 L798 I843 L844 R850 R971 | P794-L847 HydrophobicContact CB-CD2 3.84Å; L798-L847 HydrophobicContact CD1-CD1 4.14Å; L798-L847 HydrophobicContact CD1-CD2 4.12Å; I843-L847 PolarHBondContact O-N 3.35Å; I843-L847 VanDerWaalsContact O-N 3.16Å; L844-L847 HydrophobicContact CG-CD1 4.38Å; L847-R850 HydrophobicContact CB-CG 4.14Å; L847-R971 PolarHBondContact O-NH2 3.45Å | ||
| 848 | Q | 80.8 | Confident | 88.7 | Confident | 156 Ų | 156 | 36 Ų | 36 | 73% | 0.729 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -80.5 | -43.9 | 176.5 | -64.6 | -175.2 | 21.4 | 0 | 0 | 111.4 | E846 | E846-Q848 PolarHBondContact O-N 3.16Š|
| 849 | N | 82.3 | Confident | 88.4 | Confident | 133 Ų | 133 | 37.4 Ų | 37.4 | 71% | 0.711 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -101.3 | 86.7 | 175.5 | -65.9 | -34.3 | 0 | 0 | 0 | 109 | P851 | N849-P851 WeakPolarHBondContact O-CD 3.33Š|
| 850 | R | 84.1 | Confident | 88.2 | Confident | 69 Ų | 69 | 41.6 Ų | 41.6 | 26% | 0.26 | 23% | 0.233 | S | C | . | . | trans | -75.9 | 124.4 | -176.6 | -70 | 177.5 | -87.9 | 131.4 | -12.5 | 111 | L847 D855 D972 | L847-R850 HydrophobicContact CB-CG 4.14Å; R850-D855 IonicContact CZ-OD1 2.65Å; R850-D855 IonicContact NH1-OD1 2.59Å; R850-D855 PolarHBondContact NH1-OD1 3.13Å; R850-D972 IonicContact CZ-OD2 3.98Å; R850-D972 IonicContact NH2-OD2 2.66Å; R850-D972 PolarHBondContact NH2-OD2 3.35Å | ||
| 851 | P | 84.9 | Confident | 88.1 | Confident | 13 Ų | 13 | 41.6 Ų | 41.6 | 8% | 0.084 | 23% | 0.233 | C | C | . | . | trans | -63.7 | 149.8 | 169.5 | -20.2 | 30.9 | 0 | 0 | 0 | 111.3 | L798 T814 N849 A853 V854 D855 | L798-P851 HydrophobicContact CD1-CG 4.33Å; L798-P851 HydrophobicContact CD2-CG 3.66Å; T814-P851 HydrophobicContact CG2-CB 4.17Å; T814-P851 HydrophobicContact CG2-CG 4.31Å; N849-P851 WeakPolarHBondContact O-CD 3.33Å; P851-A853 PolarHBondContact O-N 3.07Å; P851-V854 HydrophobicContact CB-CG2 4.46Å; P851-V854 HydrophobicContact CG-CG2 4.25Å; P851-V854 WeakPolarHBondContact O-CB 3.07Å; P851-V854 PolarHBondContact O-N 3.12Å; P851-D855 PolarHBondContact O-N 2.98Å | ||
| 852 | P | 84.8 | Confident | 88 | Confident | 111 Ų | 111 | 41.6 Ų | 41.6 | 72% | 0.721 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -55.6 | -27.5 | 177 | -26.4 | 34.2 | 0 | 0 | 0 | 114.1 | V854 D855 A856 | P852-V854 VanDerWaalsContact C-N 3.33Å; P852-V854 PolarHBondContact O-N 3.02Å; P852-D855 PolarHBondContact O-N 3.34Å; P852-A856 PolarHBondContact O-N 3.41Å; P852-A856 VanDerWaalsContact O-N 3.13Å |
| 853 | A | 85.3 | Confident | 87.9 | Confident | 5 Ų | 5 | 42.8 Ų | 42.8 | 4% | 0.041 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.8 | -37.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | V815 I818 P851 A856 V857 | V815-A853 HydrophobicContact CB-CB 4.32Å; V815-A853 HydrophobicContact CG2-CB 3.9Å; I818-A853 HydrophobicContact CB-CB 4.44Å; I818-A853 HydrophobicContact CD1-CB 3.64Å; P851-A853 PolarHBondContact O-N 3.07Å; A853-A856 PolarHBondContact O-N 3.24Å; A853-V857 PolarHBondContact O-N 3.11Å |
| 854 | V | 86.8 | Confident | 87.9 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69.9 | -41.4 | 178 | 174.9 | 0 | 0 | 0 | 0 | 110.6 | I818 L844 P851 P852 A856 V857 V858 I861 W975 | I818-V854 HydrophobicContact CD1-CG2 3.64Å; L844-V854 HydrophobicContact CD1-CG2 4.26Å; L844-V854 HydrophobicContact CD2-CB 4.21Å; L844-V854 HydrophobicContact CD2-CG1 3.48Å; L844-V854 VanDerWaalsContact CD2-CG1 3.48Å; L844-V854 HydrophobicContact CD2-CG2 3.81Å; L844-V854 HydrophobicContact CG-CG1 4.32Å; L844-V854 HydrophobicContact CG-CG2 3.97Å; P851-V854 HydrophobicContact CB-CG2 4.46Å; P851-V854 HydrophobicContact CG-CG2 4.25Å; P851-V854 WeakPolarHBondContact O-CB 3.07Å; P851-V854 PolarHBondContact O-N 3.12Å; P852-V854 VanDerWaalsContact C-N 3.33Å; P852-V854 PolarHBondContact O-N 3.02Å; V854-A856 PolarHBondContact O-N 3.28Å; V854-V857 WeakPolarHBondContact O-CG2 3.28Å; V854-V857 PolarHBondContact O-N 2.89Å; V854-V858 PolarHBondContact O-N 3.36Å; V854-V858 VanDerWaalsContact O-N 3.16Å; V854-I861 HydrophobicContact CG1-CD1 4.26Å; V854-W975 HydrophobicContact CG1-CH2 4.19Å; V854-W975 HydrophobicContact CG1-CZ2 4.14Å |
| 855 | D | 86.3 | Confident | 88 | Confident | 70 Ų | 70 | 42.4 Ų | 42.4 | 37% | 0.374 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.7 | -33 | 176.1 | -69.4 | -32.6 | 0 | 0 | 0 | 111.8 | R850 P851 P852 V857 V858 W975 | R850-D855 IonicContact CZ-OD1 2.65Å; R850-D855 IonicContact NH1-OD1 2.59Å; R850-D855 PolarHBondContact NH1-OD1 3.13Å; P851-D855 PolarHBondContact O-N 2.98Å; P852-D855 PolarHBondContact O-N 3.34Å; D855-V857 VanDerWaalsContact C-N 3.34Å; D855-V857 PolarHBondContact O-N 3.07Å; D855-V858 VanDerWaalsContact O-CG1 3.3Å; D855-V858 WeakPolarHBondContact O-CG1 2.92Å; D855-W975 WeakPolarHBondContact OD1-CZ3 3.45Å |
| 856 | A | 87.1 | Confident | 88.1 | Confident | 78 Ų | 78 | 43 Ų | 43 | 65% | 0.645 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -68.7 | -29.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | P852 A853 V854 | P852-A856 PolarHBondContact O-N 3.41Å; P852-A856 VanDerWaalsContact O-N 3.13Å; A853-A856 PolarHBondContact O-N 3.24Å; V854-A856 PolarHBondContact O-N 3.28Å |
| 857 | V | 89.1 | Confident | 88.1 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 7.3 | -178.9 | -58.2 | 0 | 0 | 0 | 0 | 113.7 | I818 M822 A853 V854 D855 G859 Q860 I861 | I818-V857 HydrophobicContact CG2-CB 4.43Å; I818-V857 HydrophobicContact CG2-CG1 4.04Å; I818-V857 HydrophobicContact CG2-CG2 3.56Å; M822-V857 HydrophobicContact CG-CB 3.88Å; M822-V857 HydrophobicContact CG-CG1 3.9Å; M822-V857 HydrophobicContact CG-CG2 4.13Å; M822-V857 HydrophobicContact SD-CB 4.43Å; M822-V857 HydrophobicContact SD-CG2 4.32Å; A853-V857 PolarHBondContact O-N 3.11Å; V854-V857 WeakPolarHBondContact O-CG2 3.28Å; V854-V857 PolarHBondContact O-N 2.89Å; D855-V857 VanDerWaalsContact C-N 3.34Å; D855-V857 PolarHBondContact O-N 3.07Å; V857-G859 PolarHBondContact O-N 3.39Å; V857-Q860 PolarHBondContact O-N 2.95Å; V857-I861 HydrophobicContact CG2-CD1 4.39Å; V857-I861 HydrophobicContact CG2-CG1 4.3Å; V857-I861 PolarHBondContact O-N 3.02Å |
| 858 | V | 88.4 | Confident | 88.2 | Confident | 24 Ų | 24 | 44.6 Ų | 44.6 | 15% | 0.145 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -46.3 | -39 | -177.1 | 63.5 | 0 | 0 | 0 | 0 | 113.4 | V854 D855 Q860 W975 L978 L979 | V854-V858 PolarHBondContact O-N 3.36Å; V854-V858 VanDerWaalsContact O-N 3.16Å; D855-V858 VanDerWaalsContact O-CG1 3.3Å; D855-V858 WeakPolarHBondContact O-CG1 2.92Å; V858-Q860 VanDerWaalsContact C-N 3.26Å; V858-Q860 PolarHBondContact O-N 3.45Å; V858-W975 HydrophobicContact CB-CH2 3.52Å; V858-W975 HydrophobicContact CB-CZ2 4.46Å; V858-W975 HydrophobicContact CB-CZ3 3.65Å; V858-W975 HydrophobicContact CG2-CD2 4.46Å; V858-W975 HydrophobicContact CG2-CE3 3.86Å; V858-W975 HydrophobicContact CG2-CH2 3.32Å; V858-W975 HydrophobicContact CG2-CZ2 3.96Å; V858-W975 HydrophobicContact CG2-CZ3 3.26Å; V858-L978 HydrophobicContact CG2-CB 3.92Å; V858-L979 HydrophobicContact CG2-CD2 3.74Å; V858-L979 HydrophobicContact CG2-CG 3.98Å |
| 859 | G | 87.5 | Confident | 88.8 | Confident | 28 Ų | 28 | 37.6 Ų | 37.6 | 29% | 0.289 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -76.1 | -9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | V857 P863 P982 | V857-G859 PolarHBondContact O-N 3.39Å; G859-P863 WeakPolarHBondContact O-CG 3.46Å; G859-P982 WeakPolarHBondContact O-CG 3.3Å |
| 860 | Q | 91.5 | Very high | 89 | Confident | 88 Ų | 88 | 35.7 Ų | 35.7 | 41% | 0.411 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -101.9 | -27.5 | -178.9 | -59.3 | -179.5 | 32.2 | 0 | 0 | 112.4 | M822 V857 V858 V862 P863 S864 | M822-Q860 HydrophobicContact SD-CB 4.44Å; V857-Q860 PolarHBondContact O-N 2.95Å; V858-Q860 VanDerWaalsContact C-N 3.26Å; V858-Q860 PolarHBondContact O-N 3.45Å; Q860-V862 PolarHBondContact O-N 3.01Å; Q860-P863 VanDerWaalsContact O-CD 3.28Å; Q860-P863 WeakPolarHBondContact O-CD 3.35Å; Q860-S864 WeakPolarHBondContact O-CB 3.42Å; Q860-S864 PolarHBondContact O-N 3.04Å; Q860-S864 PolarHBondContact O-OG 2.94Å; Q860-S864 VanDerWaalsContact O-OG 3.12Å |
| 861 | I | 91.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -55.3 | -55.5 | -171.6 | -61 | 171.7 | 0 | 0 | 0 | 112.8 | M822 L841 L844 L845 V854 V857 S864 I865 L979 | M822-I861 HydrophobicContact SD-CG1 4.49Å; L841-I861 HydrophobicContact CB-CG2 4.46Å; L844-I861 HydrophobicContact CD2-CD1 3.67Å; L844-I861 HydrophobicContact CD2-CG1 4.39Å; L845-I861 HydrophobicContact CD1-CG2 4.31Å; V854-I861 HydrophobicContact CG1-CD1 4.26Å; V857-I861 HydrophobicContact CG2-CD1 4.39Å; V857-I861 HydrophobicContact CG2-CG1 4.3Å; V857-I861 PolarHBondContact O-N 3.02Å; I861-S864 PolarHBondContact O-N 3.38Å; I861-I865 HydrophobicContact CG2-CD1 4.17Å; I861-I865 WeakPolarHBondContact O-CG1 3.4Å; I861-I865 PolarHBondContact O-N 3.23Å; I861-I865 VanDerWaalsContact O-N 3.09Å; I861-L979 HydrophobicContact CB-CD2 4.3Å; I861-L979 HydrophobicContact CD1-CD2 4.37Å |
| 862 | V | 92.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.1 | -44.2 | -178.3 | -177 | 0 | 0 | 0 | 0 | 112 | L845 Q860 S864 I865 L866 F961 L979 M980 L983 | L845-V862 HydrophobicContact CD1-CG2 4.27Å; Q860-V862 PolarHBondContact O-N 3.01Å; V862-S864 VanDerWaalsContact C-N 3.31Å; V862-S864 PolarHBondContact O-N 2.93Å; V862-I865 PolarHBondContact O-N 3.46Å; V862-L866 HydrophobicContact CG1-CD1 4.21Å; V862-L866 HydrophobicContact CG1-CG 4.39Å; V862-L866 WeakPolarHBondContact O-CG 3.36Å; V862-L866 PolarHBondContact O-N 2.94Å; V862-F961 HydrophobicContact CG1-CZ 4.46Å; V862-L979 HydrophobicContact CG2-CB 4Å; V862-L979 HydrophobicContact CG2-CD2 4.07Å; V862-M980 HydrophobicContact CG1-CE 4.37Å; V862-M980 HydrophobicContact CG2-CE 4.16Å; V862-L983 HydrophobicContact CB-CD2 4.14Å; V862-L983 HydrophobicContact CG1-CD1 4.07Å; V862-L983 HydrophobicContact CG1-CD2 3.83Å |
| 863 | P | 92.5 | Very high | 88.7 | Confident | 26 Ų | 26 | 32.9 Ų | 32.9 | 17% | 0.169 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -50.9 | -46 | 169.6 | -31.6 | 36.7 | 0 | 0 | 0 | 114.3 | G859 Q860 L866 F867 L983 | G859-P863 WeakPolarHBondContact O-CG 3.46Å; Q860-P863 VanDerWaalsContact O-CD 3.28Å; Q860-P863 WeakPolarHBondContact O-CD 3.35Å; P863-L866 PolarHBondContact O-N 3.21Å; P863-F867 PolarHBondContact O-N 3.4Å; P863-L983 HydrophobicContact CG-CD2 3.97Å |
| 864 | S | 92.8 | Very high | 88.3 | Confident | 15 Ų | 15 | 37.2 Ų | 37.2 | 11% | 0.105 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.9 | -46.3 | 177.9 | -72.5 | 0 | 0 | 0 | 0 | 112 | Q860 I861 V862 L866 F867 L868 | Q860-S864 WeakPolarHBondContact O-CB 3.42Å; Q860-S864 PolarHBondContact O-N 3.04Å; Q860-S864 PolarHBondContact O-OG 2.94Å; Q860-S864 VanDerWaalsContact O-OG 3.12Å; I861-S864 PolarHBondContact O-N 3.38Å; V862-S864 VanDerWaalsContact C-N 3.31Å; V862-S864 PolarHBondContact O-N 2.93Å; S864-L866 VanDerWaalsContact C-N 3.34Å; S864-L866 PolarHBondContact O-N 3.35Å; S864-F867 WeakPolarHBondContact O-CB 3.24Å; S864-F867 PolarHBondContact O-N 3.13Å; S864-L868 VanDerWaalsContact O-CG 3.3Å; S864-L868 WeakPolarHBondContact O-CG 3.41Å; S864-L868 PolarHBondContact O-N 3.1Å |
| 865 | I | 92.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.1 | -43.5 | 176.4 | -67.8 | 170.3 | 0 | 0 | 0 | 111.5 | I838 L841 I861 V862 F867 L868 F869 F961 | I838-I865 HydrophobicContact CG1-CG2 4.48Å; I838-I865 HydrophobicContact CG2-CG2 4.25Å; L841-I865 HydrophobicContact CB-CD1 3.68Å; L841-I865 HydrophobicContact CB-CG1 3.62Å; L841-I865 HydrophobicContact CD1-CG1 3.62Å; L841-I865 HydrophobicContact CG-CG1 4.27Å; I861-I865 HydrophobicContact CG2-CD1 4.17Å; I861-I865 WeakPolarHBondContact O-CG1 3.4Å; I861-I865 PolarHBondContact O-N 3.23Å; I861-I865 VanDerWaalsContact O-N 3.09Å; V862-I865 PolarHBondContact O-N 3.46Å; I865-F867 VanDerWaalsContact C-N 3.34Å; I865-F867 PolarHBondContact O-N 3.13Å; I865-L868 PolarHBondContact O-N 3.44Å; I865-F869 HydrophobicContact CG2-CD2 3.68Å; I865-F869 HydrophobicContact CG2-CE2 3.36Å; I865-F869 HydrophobicContact CG2-CZ 4.35Å; I865-F869 VanDerWaalsContact O-CD2 3.26Å; I865-F869 WeakPolarHBondContact O-CD2 3.39Å; I865-F869 PolarHBondContact O-N 3.43Å; I865-F961 HydrophobicContact CB-CE2 4.36Å; I865-F961 HydrophobicContact CD1-CD2 3.63Å; I865-F961 HydrophobicContact CD1-CE2 3.47Å; I865-F961 VanDerWaalsContact CD1-CE2 3.47Å; I865-F961 HydrophobicContact CD1-CZ 4.46Å; I865-F961 HydrophobicContact CG1-CE2 4.5Å; I865-F961 HydrophobicContact CG2-CD1 4.2Å; I865-F961 HydrophobicContact CG2-CD2 3.81Å; I865-F961 HydrophobicContact CG2-CE1 4.19Å; I865-F961 HydrophobicContact CG2-CE2 3.82Å; I865-F961 HydrophobicContact CG2-CG 3.98Å; I865-F961 HydrophobicContact CG2-CZ 3.99Å |
| 866 | L | 91.9 | Very high | 86.7 | Confident | 11 Ų | 11 | 36.4 Ų | 36.4 | 6% | 0.058 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.9 | -37 | 178.8 | -67.7 | 174.8 | 0 | 0 | 0 | 112.3 | V862 P863 S864 F869 L870 L983 Q987 A990 L991 V994 | V862-L866 HydrophobicContact CG1-CD1 4.21Å; V862-L866 HydrophobicContact CG1-CG 4.39Å; V862-L866 WeakPolarHBondContact O-CG 3.36Å; V862-L866 PolarHBondContact O-N 2.94Å; P863-L866 PolarHBondContact O-N 3.21Å; S864-L866 VanDerWaalsContact C-N 3.34Å; S864-L866 PolarHBondContact O-N 3.35Å; L866-F869 PolarHBondContact O-N 2.96Å; L866-L870 PolarHBondContact O-N 2.99Å; L866-L983 HydrophobicContact CD1-CD2 4.16Å; L866-Q987 HydrophobicContact CD1-CB 3.81Å; L866-Q987 HydrophobicContact CD1-CG 4.24Å; L866-Q987 WeakPolarHBondContact CD1-O 3.21Å; L866-A990 HydrophobicContact CD2-CB 4.44Å; L866-L991 HydrophobicContact CD1-CB 4.34Å; L866-L991 HydrophobicContact CD2-CB 4.07Å; L866-L991 HydrophobicContact CD2-CD1 4.14Å; L866-V994 HydrophobicContact CD2-CG2 4.18Å |
| 867 | F | 90.4 | Very high | 85.7 | Confident | 106 Ų | 106 | 34.9 Ų | 34.9 | 47% | 0.465 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.8 | -44.8 | 173 | 179.2 | -90.8 | 0 | 0 | 0 | 111.5 | D826 P863 S864 I865 F869 L870 G871 | D826-F867 HydrophobicContact CB-CE1 4.03Å; D826-F867 HydrophobicContact CB-CZ 4.16Å; P863-F867 PolarHBondContact O-N 3.4Å; S864-F867 WeakPolarHBondContact O-CB 3.24Å; S864-F867 PolarHBondContact O-N 3.13Å; I865-F867 VanDerWaalsContact C-N 3.34Å; I865-F867 PolarHBondContact O-N 3.13Å; F867-F869 VanDerWaalsContact C-N 3.35Å; F867-F869 PolarHBondContact O-N 2.83Å; F867-L870 WeakPolarHBondContact O-CB 3.36Å; F867-L870 PolarHBondContact O-N 3.4Å; F867-L870 VanDerWaalsContact O-N 3.16Å; F867-G871 PolarHBondContact O-N 3.48Å; F867-G871 VanDerWaalsContact O-N 3.08Å |
| 868 | L | 90.8 | Very high | 84.3 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.5 | -38.6 | 177 | -64.8 | 164.3 | 0 | 0 | 0 | 112.1 | T825 F828 R834 C837 I838 L841 S864 I865 L870 G871 L872 | T825-L868 HydrophobicContact CG2-CD1 4Å; T825-L868 HydrophobicContact CG2-CD2 3.98Å; T825-L868 HydrophobicContact CG2-CG 3.87Å; F828-L868 HydrophobicContact CB-CD2 3.99Å; R834-L868 HydrophobicContact CB-CB 4.49Å; R834-L868 HydrophobicContact CB-CD2 4.3Å; R834-L868 WeakPolarHBondContact CD-O 3.37Å; R834-L868 HydrophobicContact CG-CD2 3.87Å; C837-L868 HydrophobicContact CB-CD1 3.83Å; C837-L868 HydrophobicContact CB-CD2 4.45Å; C837-L868 WeakPolarHBondContact SG-CD1 3.39Å; I838-L868 HydrophobicContact CD1-CB 3.8Å; I838-L868 HydrophobicContact CG1-CB 3.66Å; I838-L868 HydrophobicContact CG1-CD1 3.88Å; I838-L868 HydrophobicContact CG1-CG 4.44Å; L841-L868 HydrophobicContact CD1-CD1 3.98Å; S864-L868 VanDerWaalsContact O-CG 3.3Å; S864-L868 WeakPolarHBondContact O-CG 3.41Å; S864-L868 PolarHBondContact O-N 3.1Å; I865-L868 PolarHBondContact O-N 3.44Å; L868-L870 VanDerWaalsContact C-N 3.33Å; L868-L870 PolarHBondContact O-N 3.19Å; L868-G871 PolarHBondContact O-N 3.21Å; L868-L872 PolarHBondContact O-N 3.46Å |
| 869 | F | 91.6 | Very high | 82.9 | Confident | 8 Ų | 8 | 40.5 Ų | 40.5 | 4% | 0.035 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.1 | -36.5 | 173.4 | -79.3 | -54.5 | 0 | 0 | 0 | 113 | I838 I865 L866 F867 L872 K873 E957 Y958 F961 V994 | I838-F869 HydrophobicContact CD1-CD1 3.76Å; I838-F869 HydrophobicContact CD1-CE1 3.77Å; I838-F869 HydrophobicContact CD1-CG 4.18Å; I838-F869 HydrophobicContact CD1-CZ 4.18Å; I838-F869 HydrophobicContact CG2-CE1 4.25Å; I838-F869 HydrophobicContact CG2-CE2 4.22Å; I838-F869 HydrophobicContact CG2-CZ 3.73Å; I865-F869 HydrophobicContact CG2-CD2 3.68Å; I865-F869 HydrophobicContact CG2-CE2 3.36Å; I865-F869 HydrophobicContact CG2-CZ 4.35Å; I865-F869 VanDerWaalsContact O-CD2 3.26Å; I865-F869 WeakPolarHBondContact O-CD2 3.39Å; I865-F869 PolarHBondContact O-N 3.43Å; L866-F869 PolarHBondContact O-N 2.96Å; F867-F869 VanDerWaalsContact C-N 3.35Å; F867-F869 PolarHBondContact O-N 2.83Å; F869-L872 HydrophobicContact CD1-CD1 4.2Å; F869-L872 PolarHBondContact O-N 3.06Å; F869-K873 PolarHBondContact O-N 3.1Å; F869-E957 HydrophobicContact CE1-CB 4.49Å; F869-E957 HydrophobicContact CE1-CG 4Å; F869-Y958 AromaticContact CD1-CD1 3.83Å; F869-Y958 HydrophobicContact CD1-CD1 3.83Å; F869-Y958 HydrophobicContact CD1-CD2 4.28Å; F869-Y958 AromaticContact CD1-CE1 3.31Å; F869-Y958 HydrophobicContact CD1-CE1 3.31Å; F869-Y958 AromaticContact CD1-CE2 3.83Å; F869-Y958 HydrophobicContact CD1-CE2 3.83Å; F869-Y958 HydrophobicContact CD1-CG 4.28Å; F869-Y958 AromaticContact CD1-CZ 3.33Å; F869-Y958 AromaticContact CE1-CD1 3.55Å; F869-Y958 HydrophobicContact CE1-CD1 3.55Å; F869-Y958 AromaticContact CE1-CD2 3.76Å; F869-Y958 HydrophobicContact CE1-CD2 3.76Å; F869-Y958 AromaticContact CE1-CE1 3.56Å; F869-Y958 HydrophobicContact CE1-CE1 3.56Å; F869-Y958 AromaticContact CE1-CE2 3.78Å; F869-Y958 HydrophobicContact CE1-CE2 3.78Å; F869-Y958 AromaticContact CE1-CG 3.65Å; F869-Y958 HydrophobicContact CE1-CG 3.65Å; F869-Y958 AromaticContact CE1-CZ 3.69Å; F869-Y958 HydrophobicContact CG-CE1 4.02Å; F869-Y958 HydrophobicContact CZ-CD1 4.12Å; F869-Y958 HydrophobicContact CZ-CE1 4.43Å; F869-Y958 HydrophobicContact CZ-CG 4.27Å; F869-F961 HydrophobicContact CE2-CB 4.26Å; F869-F961 AromaticContact CE2-CD1 3.61Å; F869-F961 HydrophobicContact CE2-CD1 3.61Å; F869-F961 HydrophobicContact CE2-CE1 4.17Å; F869-F961 HydrophobicContact CE2-CG 4.03Å; F869-F961 HydrophobicContact CZ-CB 4.05Å; F869-F961 HydrophobicContact CZ-CD1 4.12Å; F869-F961 HydrophobicContact CZ-CG 4.32Å; F869-V994 HydrophobicContact CB-CG2 4.28Å; F869-V994 HydrophobicContact CD2-CG1 4.18Å; F869-V994 HydrophobicContact CD2-CG2 3.74Å; F869-V994 HydrophobicContact CE2-CG1 3.79Å; F869-V994 HydrophobicContact CE2-CG2 4.21Å; F869-V994 HydrophobicContact CG-CG2 4.03Å; F869-V994 HydrophobicContact CZ-CG1 4.14Å |
| 870 | L | 87.1 | Confident | 81.3 | Confident | 94 Ų | 94 | 45.7 Ų | 45.7 | 49% | 0.492 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.3 | -44.9 | 174.3 | -176.2 | 67.2 | 0 | 0 | 0 | 110.9 | L866 F867 L868 K873 Q874 | L866-L870 PolarHBondContact O-N 2.99Å; F867-L870 WeakPolarHBondContact O-CB 3.36Å; F867-L870 PolarHBondContact O-N 3.4Å; F867-L870 VanDerWaalsContact O-N 3.16Å; L868-L870 VanDerWaalsContact C-N 3.33Å; L868-L870 PolarHBondContact O-N 3.19Å; L870-K873 WeakPolarHBondContact O-CB 3.43Å; L870-K873 PolarHBondContact O-N 3.11Å; L870-Q874 WeakPolarHBondContact O-CG 3.49Å; L870-Q874 PolarHBondContact O-N 3.44Å |
| 871 | G | 82.6 | Confident | 79.4 | Confident | 7 Ų | 7 | 46.3 Ų | 46.3 | 7% | 0.072 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.6 | -45.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | F867 L868 K873 Q874 V875 | F867-G871 PolarHBondContact O-N 3.48Å; F867-G871 VanDerWaalsContact O-N 3.08Å; L868-G871 PolarHBondContact O-N 3.21Å; G871-K873 VanDerWaalsContact C-N 3.31Å; G871-K873 PolarHBondContact O-N 3.43Å; G871-Q874 WeakPolarHBondContact O-CB 3.33Å; G871-Q874 PolarHBondContact O-N 2.81Å; G871-Q874 VanDerWaalsContact O-N 3.13Å; G871-V875 PolarHBondContact O-N 3.4Å |
| 872 | L | 83.1 | Confident | 77.5 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.7 | -41.1 | 175.2 | -79.2 | 174.5 | 0 | 0 | 0 | 112.5 | R834 I838 L868 F869 Q874 V875 C876 E957 | R834-L872 HydrophobicContact CB-CD1 4.27Å; R834-L872 HydrophobicContact CB-CD2 3.85Å; R834-L872 HydrophobicContact CB-CG 3.77Å; I838-L872 HydrophobicContact CD1-CD1 3.45Å; I838-L872 VanDerWaalsContact CD1-CD1 3.45Å; L868-L872 PolarHBondContact O-N 3.46Å; F869-L872 HydrophobicContact CD1-CD1 4.2Å; F869-L872 PolarHBondContact O-N 3.06Å; L872-Q874 VanDerWaalsContact C-N 3.29Å; L872-Q874 PolarHBondContact O-N 2.84Å; L872-V875 PolarHBondContact O-N 3Å; L872-C876 WeakPolarHBondContact O-CB 3.31Å; L872-C876 PolarHBondContact O-N 3.37Å; L872-C876 PolarHBondContact O-SG 3.45Å; L872-E957 HydrophobicContact CD1-CG 4.02Å |
| 873 | K | 82.3 | Confident | 75.3 | Confident | 124 Ų | 124 | 54.6 Ų | 54.6 | 54% | 0.539 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62 | -38.4 | 177.2 | -171.5 | 179.4 | -178.9 | 176.9 | 0 | 111.6 | F869 L870 G871 A877 E993 | F869-K873 PolarHBondContact O-N 3.1Å; L870-K873 WeakPolarHBondContact O-CB 3.43Å; L870-K873 PolarHBondContact O-N 3.11Å; G871-K873 VanDerWaalsContact C-N 3.31Å; G871-K873 PolarHBondContact O-N 3.43Å; K873-A877 WeakPolarHBondContact O-CB 3.49Å; K873-A877 PolarHBondContact O-N 3.33Å; K873-E993 IonicContact NZ-OE2 3.04Å |
| 874 | Q | 77.4 | Confident | 72.8 | Confident | 96 Ų | 96 | 61.8 Ų | 61.8 | 45% | 0.449 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.9 | -50.3 | 176.4 | -69.7 | 173.3 | -10.1 | 0 | 0 | 111.3 | L870 G871 L872 C876 A877 T878 | L870-Q874 WeakPolarHBondContact O-CG 3.49Å; L870-Q874 PolarHBondContact O-N 3.44Å; G871-Q874 WeakPolarHBondContact O-CB 3.33Å; G871-Q874 PolarHBondContact O-N 2.81Å; G871-Q874 VanDerWaalsContact O-N 3.13Å; L872-Q874 VanDerWaalsContact C-N 3.29Å; L872-Q874 PolarHBondContact O-N 2.84Å; Q874-C876 PolarHBondContact O-N 3.26Å; Q874-A877 WeakPolarHBondContact O-CB 3.37Å; Q874-A877 PolarHBondContact O-N 3.49Å; Q874-T878 PolarHBondContact O-N 3.07Å; Q874-T878 PolarHBondContact O-OG1 3.08Å; Q874-T878 VanDerWaalsContact O-OG1 3.07Å |
| 875 | V | 70.1 | Confident | 70.2 | Confident | 10 Ų | 10 | 65.7 Ų | 65.7 | 6% | 0.061 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.1 | -43.7 | 178.5 | 174.2 | 0 | 0 | 0 | 0 | 111.9 | H831 R834 G871 L872 A877 T878 R879 | H831-V875 HydrophobicContact CB-CG1 4.35Å; R834-V875 VanDerWaalsContact NH1-CG2 3.35Å; G871-V875 PolarHBondContact O-N 3.4Å; L872-V875 PolarHBondContact O-N 3Å; V875-A877 VanDerWaalsContact C-N 3.3Å; V875-A877 PolarHBondContact O-N 2.92Å; V875-T878 PolarHBondContact O-N 3.39Å; V875-R879 PolarHBondContact O-N 3.14Å |
| 876 | C | 67.9 | Low | 67.6 | Low | 43 Ų | 43 | 70.3 Ų | 70.3 | 29% | 0.291 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.4 | -34.4 | 175.3 | -68.6 | 0 | 0 | 0 | 0 | 113.1 | L872 Q874 Q880 | L872-C876 WeakPolarHBondContact O-CB 3.31Å; L872-C876 PolarHBondContact O-N 3.37Å; L872-C876 PolarHBondContact O-SG 3.45Å; Q874-C876 PolarHBondContact O-N 3.26Å; C876-Q880 WeakPolarHBondContact O-CG 3.41Å; C876-Q880 PolarHBondContact O-N 3.18Å |
| 877 | A | 66.3 | Low | 64.8 | Low | 46 Ų | 46 | 79.9 Ų | 79.9 | 38% | 0.38 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -70.5 | -40 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | K873 Q874 V875 Q880 L881 | K873-A877 WeakPolarHBondContact O-CB 3.49Å; K873-A877 PolarHBondContact O-N 3.33Å; Q874-A877 WeakPolarHBondContact O-CB 3.37Å; Q874-A877 PolarHBondContact O-N 3.49Å; V875-A877 VanDerWaalsContact C-N 3.3Å; V875-A877 PolarHBondContact O-N 2.92Å; A877-Q880 PolarHBondContact O-N 2.89Å; A877-L881 PolarHBondContact O-N 3.43Å |
| 878 | T | 60.1 | Low | 62 | Low | 43 Ų | 43 | 76.9 Ų | 76.9 | 26% | 0.264 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 175.1 | -52 | 0 | 0 | 0 | 0 | 111.4 | Q874 V875 Q880 L881 V882 V936 | Q874-T878 PolarHBondContact O-N 3.07Å; Q874-T878 PolarHBondContact O-OG1 3.08Å; Q874-T878 VanDerWaalsContact O-OG1 3.07Å; V875-T878 PolarHBondContact O-N 3.39Å; T878-Q880 PolarHBondContact O-N 2.87Å; T878-Q880 VanDerWaalsContact O-N 3.13Å; T878-L881 WeakPolarHBondContact O-CA 3.49Å; T878-L881 WeakPolarHBondContact O-CB 3.45Å; T878-L881 PolarHBondContact O-N 3.25Å; T878-V882 HydrophobicContact CG2-CG2 4.21Å; T878-V882 WeakPolarHBondContact O-CG2 3.4Å; T878-V882 PolarHBondContact O-N 3.24Å; T878-V936 HydrophobicContact CG2-CG1 4.38Å |
| 879 | R | 59 | Low | 59.2 | Low | 102 Ų | 102 | 83.2 Ų | 83.2 | 39% | 0.385 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -52.9 | -36.2 | 173 | -95 | -171.5 | 176.6 | 170 | 5.5 | 113.3 | V875 N883 E939 E943 | V875-R879 PolarHBondContact O-N 3.14Å; R879-N883 WeakPolarHBondContact O-CB 3.3Å; R879-N883 PolarHBondContact O-N 3.27Å; R879-N883 PolarHBondContact O-ND2 3.16Å; R879-E939 IonicContact CZ-OE1 3.27Å; R879-E939 IonicContact NE-OE1 2.68Å; R879-E939 PolarHBondContact NE-OE1 3.28Å; R879-E939 IonicContact NH2-OE1 2.96Å; R879-E939 PolarHBondContact NH2-OE1 3.39Å; R879-E939 IonicContact NH2-OE2 2.72Å; R879-E939 PolarHBondContact NH2-OE2 2.91Å; R879-E939 VanDerWaalsContact NH2-OE2 3.14Å; R879-E943 IonicContact NH2-OE2 3.23Å |
| 880 | Q | 53.8 | Low | 56.5 | Low | 138 Ų | 138 | 87 Ų | 87 | 65% | 0.645 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -76.3 | -27.2 | 178.6 | -69.3 | 176.6 | 10.8 | 0 | 0 | 113.2 | C876 A877 T878 R884 | C876-Q880 WeakPolarHBondContact O-CG 3.41Å; C876-Q880 PolarHBondContact O-N 3.18Å; A877-Q880 PolarHBondContact O-N 2.89Å; T878-Q880 PolarHBondContact O-N 2.87Å; T878-Q880 VanDerWaalsContact O-N 3.13Å; Q880-R884 WeakPolarHBondContact O-CG 3.49Å |
| 881 | L | 52.1 | Low | 53.9 | Low | 100 Ų | 100 | 90.5 Ų | 90.5 | 52% | 0.524 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -78.2 | -45.5 | 175 | -71.1 | 167.7 | 0 | 0 | 0 | 111.1 | A877 T878 N883 R884 E885 | A877-L881 PolarHBondContact O-N 3.43Å; T878-L881 WeakPolarHBondContact O-CA 3.49Å; T878-L881 WeakPolarHBondContact O-CB 3.45Å; T878-L881 PolarHBondContact O-N 3.25Å; L881-N883 PolarHBondContact O-N 2.97Å; L881-R884 CarbonylContact O-C 3.54Å; L881-R884 WeakPolarHBondContact O-CA 3.27Å; L881-R884 WeakPolarHBondContact O-CB 3.45Å; L881-R884 PolarHBondContact O-N 3.24Å; L881-E885 PolarHBondContact O-N 3.46Å |
| 882 | V | 51.8 | Low | 51.4 | Low | 65 Ų | 65 | 97.5 Ų | 97.5 | 39% | 0.394 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.2 | -49.4 | 176.3 | 175.9 | 0 | 0 | 0 | 0 | 110.9 | T878 R884 E885 D886 | T878-V882 HydrophobicContact CG2-CG2 4.21Å; T878-V882 WeakPolarHBondContact O-CG2 3.4Å; T878-V882 PolarHBondContact O-N 3.24Å; V882-R884 PolarHBondContact O-N 2.98Å; V882-E885 PolarHBondContact O-N 3.42Å; V882-D886 PolarHBondContact O-N 3Å |
| 883 | N | 44.3 | Very low | 48.8 | Very low | 109 Ų | 109 | 102 Ų | 102 | 58% | 0.583 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60 | -19.8 | 174.7 | -82.9 | -59.8 | 0 | 0 | 0 | 114.5 | R879 L881 | R879-N883 WeakPolarHBondContact O-CB 3.3Å; R879-N883 PolarHBondContact O-N 3.27Å; R879-N883 PolarHBondContact O-ND2 3.16Å; L881-N883 PolarHBondContact O-N 2.97Å |
| 884 | R | 40.2 | Very low | 46.5 | Very low | 177 Ų | 177 | 103.5 Ų | 103.5 | 67% | 0.668 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -91.1 | -35.9 | 173.6 | -82.4 | -179.2 | 171.8 | -173.9 | 0.4 | 112.3 | Q880 L881 V882 R887 S888 | Q880-R884 WeakPolarHBondContact O-CG 3.49Å; L881-R884 CarbonylContact O-C 3.54Å; L881-R884 WeakPolarHBondContact O-CA 3.27Å; L881-R884 WeakPolarHBondContact O-CB 3.45Å; L881-R884 PolarHBondContact O-N 3.24Å; V882-R884 PolarHBondContact O-N 2.98Å; R884-R887 PolarHBondContact O-N 3.48Å; R884-S888 PolarHBondContact O-N 3.2Å |
| 885 | E | 39.7 | Very low | 44.4 | Very low | 97 Ų | 97 | 106.7 Ų | 106.7 | 45% | 0.453 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -72.8 | -37.1 | 178.2 | -75.8 | -170.4 | 173.7 | 0 | 0 | 112 | L881 V882 R887 S888 K889 | L881-E885 PolarHBondContact O-N 3.46Å; V882-E885 PolarHBondContact O-N 3.42Å; E885-R887 PolarHBondContact O-N 2.89Å; E885-S888 CarbonylContact O-C 3.6Å; E885-S888 WeakPolarHBondContact O-CA 3.41Å; E885-S888 PolarHBondContact O-N 2.68Å; E885-S888 PolarHBondContact O-OG 3.28Å; E885-K889 WeakPolarHBondContact O-CB 3.5Å; E885-K889 WeakPolarHBondContact O-CG 3.42Å; E885-K889 PolarHBondContact O-N 2.9Å |
| 886 | D | 36.9 | Very low | 42.8 | Very low | 98 Ų | 98 | 113.9 Ų | 113.9 | 52% | 0.524 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -60.6 | -31.3 | 172.3 | -70.5 | -24.1 | 0 | 0 | 0 | 112 | V882 S888 | V882-D886 PolarHBondContact O-N 3Å; D886-S888 VanDerWaalsContact C-N 3.34Å |
| 887 | R | 32.7 | Very low | 41.4 | Very low | 211 Ų | 211 | 115.7 Ų | 115.7 | 80% | 0.796 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -76.2 | -18.3 | 171.5 | -73.1 | -173.2 | 175 | -150.5 | -1.4 | 114 | R884 E885 | R884-R887 PolarHBondContact O-N 3.48Å; E885-R887 PolarHBondContact O-N 2.89Å |
| 888 | S | 31.5 | Very low | 40.2 | Very low | 43 Ų | 43 | 119.5 Ų | 119.5 | 30% | 0.301 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -105.1 | -27.9 | -177.6 | 94.2 | 0 | 0 | 0 | 0 | 113.9 | R884 E885 D886 A890 E891 K892 | R884-S888 PolarHBondContact O-N 3.2Å; E885-S888 CarbonylContact O-C 3.6Å; E885-S888 WeakPolarHBondContact O-CA 3.41Å; E885-S888 PolarHBondContact O-N 2.68Å; E885-S888 PolarHBondContact O-OG 3.28Å; D886-S888 VanDerWaalsContact C-N 3.34Å; S888-A890 VanDerWaalsContact C-N 3.28Å; S888-A890 PolarHBondContact O-N 3.39Å; S888-E891 PolarHBondContact O-N 3.45Å; S888-E891 VanDerWaalsContact O-N 3.08Å; S888-K892 PolarHBondContact O-N 3.07Å |
| 889 | K | 32.2 | Very low | 39.6 | Very low | 134 Ų | 134 | 123.7 Ų | 123.7 | 58% | 0.583 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65.9 | -32.8 | 174.2 | -76.9 | -177.6 | 178.3 | 179.1 | 0 | 110.7 | E885 E891 K892 | E885-K889 WeakPolarHBondContact O-CB 3.5Å; E885-K889 WeakPolarHBondContact O-CG 3.42Å; E885-K889 PolarHBondContact O-N 2.9Å; K889-E891 PolarHBondContact O-N 3.43Å; K889-E891 VanDerWaalsContact O-N 3.13Å; K889-K892 PolarHBondContact O-N 3.32Å |
| 890 | A | 34.5 | Very low | 39.4 | Very low | 89 Ų | 89 | 122.5 Ų | 122.5 | 74% | 0.736 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -17.8 | 170 | 0 | 0 | 0 | 0 | 0 | 114.4 | S888 | S888-A890 VanDerWaalsContact C-N 3.28Å; S888-A890 PolarHBondContact O-N 3.39Å |
| 891 | E | 32.7 | Very low | 39.8 | Very low | 166 Ų | 166 | 118.7 Ų | 118.7 | 78% | 0.776 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.9 | -7.7 | 178.9 | -72.1 | -173.1 | 158.8 | 0 | 0 | 114 | S888 K889 | S888-E891 PolarHBondContact O-N 3.45Å; S888-E891 VanDerWaalsContact O-N 3.08Å; K889-E891 PolarHBondContact O-N 3.43Å; K889-E891 VanDerWaalsContact O-N 3.13Å |
| 892 | K | 29.9 | Very low | 39.4 | Very low | 155 Ų | 155 | 118.8 Ų | 118.8 | 67% | 0.674 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.4 | -13.5 | -171.5 | -80.2 | -174.8 | 178.7 | 177.3 | 0 | 116.3 | S888 K889 D894 | S888-K892 PolarHBondContact O-N 3.07Å; K889-K892 PolarHBondContact O-N 3.32Å; K892-D894 PolarHBondContact O-N 3.04Å; K892-D894 VanDerWaalsContact O-N 3.17Å |
| 893 | A | 28.8 | Very low | 38.9 | Very low | 95 Ų | 95 | 118.5 Ų | 118.5 | 79% | 0.785 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -13.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 894 | D | 34.3 | Very low | 38.8 | Very low | 157 Ų | 157 | 117.6 Ų | 117.6 | 84% | 0.84 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -0.1 | -173.5 | -103 | -12.3 | 0 | 0 | 0 | 115.4 | K892 | K892-D894 PolarHBondContact O-N 3.04Å; K892-D894 VanDerWaalsContact O-N 3.17Å |
| 895 | M | 32.9 | Very low | 38.7 | Very low | 163 Ų | 163 | 118.4 Ų | 118.4 | 80% | 0.803 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -118.6 | -8.5 | -163.8 | -77.7 | -81.8 | -71.2 | 0 | 0 | 117.1 | ||
| 896 | E | 36.4 | Very low | 38.7 | Very low | 160 Ų | 160 | 122.5 Ų | 122.5 | 75% | 0.748 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -114.7 | 61.2 | -175.9 | -72.1 | -169.1 | 173.4 | 0 | 0 | 113.3 | ||
| 897 | E | 39.7 | Very low | 38.5 | Very low | 82 Ų | 82 | 125.3 Ų | 125.3 | 38% | 0.383 | 64% | 0.641 | S | S | . | * | trans | -157.3 | 26.6 | 178 | -106.8 | -118.5 | 117.8 | 0 | 0 | 115.5 | K403 K446 | K403-E897 IonicContact NZ-OE1 3.14Å; K403-E897 PolarHBondContact NZ-OE1 2.98Å; K403-E897 IonicContact NZ-OE2 3.4Å; K403-E897 PolarHBondContact NZ-OE2 3.31Å; K446-E897 IonicContact NZ-OE2 2.87Å | ||
| 898 | N | 41.2 | Very low | 38.4 | Very low | 125 Ų | 125 | 120.5 Ų | 120.5 | 67% | 0.668 | 64% | 0.635 | S | S | * | * | trans | -121.4 | 59 | 179.4 | -87.9 | -35.8 | 0 | 0 | 0 | 113.2 | E900 | N898-E900 PolarHBondContact O-N 3.5Š| ||
| 899 | E | 47.3 | Very low | 38.5 | Very low | 132 Ų | 132 | 124.9 Ų | 124.9 | 62% | 0.617 | 66% | 0.656 | S | S | * | * | trans | -86.5 | 84.4 | 160.9 | -70.2 | -162.1 | 163.9 | 0 | 0 | 110.4 | I901 | E899-I901 PolarHBondContact O-N 3.06Š| ||
| 900 | E | 54.9 | Low | 38.5 | Very low | 77 Ų | 77 | 123.7 Ų | 123.7 | 36% | 0.36 | 66% | 0.659 | S | S | . | * | P | Polyproline II helix | trans | -72.2 | 117.3 | 162.9 | -70 | -167.3 | 149.9 | 0 | 0 | 109.2 | K406 K447 N898 S902 | K406-E900 WeakPolarHBondContact CE-OE2 3.48Å; K406-E900 IonicContact NZ-OE2 2.62Å; K406-E900 PolarHBondContact NZ-OE2 2.99Å; K447-E900 WeakPolarHBondContact CE-OE1 3.45Å; K447-E900 IonicContact NZ-OE1 3.92Å; K447-E900 PolarHBondContact NZ-OE1 3.08Å; N898-E900 PolarHBondContact O-N 3.5Å; E900-S902 PolarHBondContact O-N 2.66Å |
| 901 | I | 61.5 | Low | 38.2 | Very low | 57 Ų | 57 | 123.8 Ų | 123.8 | 29% | 0.292 | 65% | 0.651 | S | S | . | * | P | Polyproline II helix | trans | -69.1 | 120.8 | 178.6 | -56.2 | 169.6 | 0 | 0 | 0 | 108.6 | V335 K404 E899 S903 | V335-I901 HydrophobicContact CG1-CD1 4.21Å; V335-I901 VanDerWaalsContact O-CD1 3.29Å; V335-I901 WeakPolarHBondContact O-CD1 3.34Å; K404-I901 HydrophobicContact CB-CD1 4.48Å; K404-I901 HydrophobicContact CD-CD1 4.32Å; E899-I901 PolarHBondContact O-N 3.06Å; I901-S903 PolarHBondContact O-N 3.48Å |
| 902 | S | 43 | Very low | 38.2 | Very low | 102 Ų | 102 | 118.8 Ų | 118.8 | 71% | 0.713 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 130.6 | 177 | -170.5 | 0 | 0 | 0 | 0 | 110.5 | E900 D904 | E900-S902 PolarHBondContact O-N 2.66Å; S902-D904 PolarHBondContact O-N 3.04Å |
| 903 | S | 41.4 | Very low | 38.1 | Very low | 60 Ų | 60 | 119.5 Ų | 119.5 | 42% | 0.42 | 64% | 0.643 | S | S | . | * | S | Bend | trans | -80.6 | 118.4 | -179.2 | 174.8 | 0 | 0 | 0 | 0 | 109.9 | I901 | I901-S903 PolarHBondContact O-N 3.48Š|
| 904 | D | 42.8 | Very low | 38.1 | Very low | 89 Ų | 89 | 119.3 Ų | 119.3 | 48% | 0.476 | 64% | 0.642 | S | S | . | * | S | Bend | trans | 63.1 | 84.4 | 163.2 | -59.8 | -36.8 | 0 | 0 | 0 | 115.8 | K344 S902 | K344-D904 IonicContact NZ-OD2 3.65Å; K344-D904 PolarHBondContact NZ-OD2 2.82Å; S902-D904 PolarHBondContact O-N 3.04Å |
| 905 | E | 37.4 | Very low | 38 | Very low | 194 Ų | 194 | 117.9 Ų | 117.9 | 91% | 0.907 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -176.1 | 156 | 132.5 | -97.9 | 173.8 | -153.4 | 0 | 0 | 110.8 | ||
| 906 | E | 39.8 | Very low | 37.9 | Very low | 184 Ų | 184 | 116.8 Ų | 116.8 | 86% | 0.86 | 62% | 0.624 | S | S | * | * | trans | -38.7 | 120.4 | -162 | -60.3 | 175.8 | 162.1 | 0 | 0 | 118.4 | T908 | E906-T908 PolarHBondContact O-N 3.41Š| ||
| 907 | E | 32.7 | Very low | 37.5 | Very low | 157 Ų | 157 | 114.5 Ų | 114.5 | 73% | 0.734 | 63% | 0.627 | S | S | * | * | trans | -82.9 | 110.6 | 158 | -85.1 | -173.9 | 154.4 | 0 | 0 | 109.9 | ||||
| 908 | T | 31.6 | Very low | 37.1 | Very low | 109 Ų | 109 | 117.4 Ų | 117.4 | 67% | 0.669 | 65% | 0.645 | S | S | * | * | trans | -77.3 | 134.4 | 151.4 | 37.2 | 0 | 0 | 0 | 0 | 107.6 | E906 V910 | E906-T908 PolarHBondContact O-N 3.41Å; T908-V910 PolarHBondContact O-N 2.89Å | ||
| 909 | N | 33.6 | Very low | 36.5 | Very low | 136 Ų | 136 | 117.8 Ų | 117.8 | 73% | 0.727 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54 | 34.1 | -175.9 | -98.3 | 8 | 0 | 0 | 0 | 117.5 | ||
| 910 | V | 31.5 | Very low | 35.5 | Very low | 108 Ų | 108 | 115.3 Ų | 115.3 | 66% | 0.655 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | -18.9 | -168.9 | -168.8 | 0 | 0 | 0 | 0 | 113.2 | T908 A912 | T908-V910 PolarHBondContact O-N 2.89Å; V910-A912 VanDerWaalsContact C-N 3.3Å; V910-A912 PolarHBondContact O-N 3.28Å |
| 911 | T | 29.6 | Very low | 34.2 | Very low | 92 Ų | 92 | 120 Ų | 120 | 56% | 0.564 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -75.7 | -13.3 | 177.9 | 21.2 | 0 | 0 | 0 | 0 | 114.3 | Q913 | T911-Q913 VanDerWaalsContact C-N 3.27Å; T911-Q913 PolarHBondContact O-N 3.13Å |
| 912 | A | 32.2 | Very low | 32.6 | Very low | 60 Ų | 60 | 121.1 Ų | 121.1 | 50% | 0.496 | 70% | 0.696 | S | S | . | * | G | 310 helix | trans | -72.3 | -11.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | V910 | V910-A912 VanDerWaalsContact C-N 3.3Å; V910-A912 PolarHBondContact O-N 3.28Å |
| 913 | Q | 28 | Very low | 32.2 | Very low | 170 Ų | 170 | 123.9 Ų | 123.9 | 79% | 0.794 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -96.7 | -13.4 | 179.7 | -82.6 | -177.8 | -15.8 | 0 | 0 | 114.6 | T911 | T911-Q913 VanDerWaalsContact C-N 3.27Å; T911-Q913 PolarHBondContact O-N 3.13Å |
| 914 | A | 27.3 | Very low | 31.8 | Very low | 91 Ų | 91 | 128.5 Ų | 128.5 | 75% | 0.752 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -11.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 915 | M | 32.7 | Very low | 31.1 | Very low | 127 Ų | 127 | 130.6 Ų | 130.6 | 63% | 0.626 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -92.7 | 13.1 | 177.4 | -82.3 | 172.1 | 151.8 | 0 | 0 | 113.8 | S917 | M915-S917 VanDerWaalsContact C-N 3.35Å; M915-S917 PolarHBondContact O-N 3.26Å |
| 916 | Q | 30.5 | Very low | 30.6 | Very low | 140 Ų | 140 | 131.5 Ų | 131.5 | 65% | 0.654 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | 20.1 | -177.5 | -100.2 | -178 | 9.3 | 0 | 0 | 115.2 | ||
| 917 | S | 28.7 | Very low | 29.9 | Very low | 113 Ų | 113 | 129 Ų | 129 | 79% | 0.79 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.4 | 16.3 | 177.2 | -63.6 | 0 | 0 | 0 | 0 | 116.7 | M915 | M915-S917 VanDerWaalsContact C-N 3.35Å; M915-S917 PolarHBondContact O-N 3.26Å |
| 918 | N | 32.3 | Very low | 29.7 | Very low | 143 Ų | 143 | 131.2 Ų | 131.2 | 77% | 0.765 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -162.5 | 140.7 | 162.6 | -119.7 | 15.5 | 0 | 0 | 0 | 110.3 | ||
| 919 | N | 27.3 | Very low | 29.3 | Very low | 133 Ų | 133 | 131.8 Ų | 131.8 | 71% | 0.711 | 73% | 0.727 | S | S | * | * | trans | 75.2 | 97.5 | 174.3 | -65.8 | 6.3 | 0 | 0 | 0 | 117 | ||||
| 920 | G | 25.9 | Very low | 29.1 | Very low | 80 Ų | 80 | 131 Ų | 131 | 83% | 0.825 | 72% | 0.723 | S | S | * | * | trans | -129.8 | 73.3 | 156.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 921 | R | 28.3 | Very low | 28.8 | Very low | 176 Ų | 176 | 131.9 Ų | 131.9 | 66% | 0.664 | 72% | 0.723 | S | S | * | * | trans | -143.1 | 113.2 | 155.6 | -86 | -172.4 | 171.4 | 146.6 | 3.3 | 106.5 | D931 | R921-D931 IonicContact CZ-OD1 3.39Å; R921-D931 VanDerWaalsContact CZ-OD1 3.23Å; R921-D931 VanDerWaalsContact NH1-CG 3.3Å; R921-D931 IonicContact NH1-OD1 3.8Å; R921-D931 PolarHBondContact NH1-OD1 3.36Å; R921-D931 IonicContact NH1-OD2 3.14Å; R921-D931 PolarHBondContact NH1-OD2 3.39Å; R921-D931 IonicContact NH2-OD1 2.61Å; R921-D931 PolarHBondContact NH2-OD1 2.97Å; R921-D931 IonicContact NH2-OD2 2.79Å | ||
| 922 | G | 28.2 | Very low | 28.8 | Very low | 79 Ų | 79 | 136.7 Ų | 136.7 | 81% | 0.814 | 73% | 0.731 | S | S | * | * | trans | -84.7 | 130.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 923 | E | 34.7 | Very low | 28.6 | Very low | 160 Ų | 160 | 141.8 Ų | 141.8 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -66 | 150.6 | 173.7 | -67 | 170.6 | 160.8 | 0 | 0 | 110.6 | ||
| 924 | D | 32.5 | Very low | 28.6 | Very low | 158 Ų | 158 | 141.5 Ų | 141.5 | 85% | 0.845 | 75% | 0.749 | S | S | * | * | trans | 92.6 | 52.8 | 177.9 | -53 | -21.4 | 0 | 0 | 0 | 117.8 | ||||
| 925 | E | 27.5 | Very low | 28.8 | Very low | 132 Ų | 132 | 147.1 Ų | 147.1 | 62% | 0.617 | 76% | 0.759 | S | S | * | * | trans | -142.2 | 111.8 | 138.2 | -74 | -174.5 | 167.2 | 0 | 0 | 106.4 | E927 | E925-E927 PolarHBondContact O-N 3.06Š| ||
| 926 | E | 28 | Very low | 28.9 | Very low | 213 Ų | 213 | 144.8 Ų | 144.8 | 100% | 0.995 | 75% | 0.752 | S | S | * | * | trans | -68.8 | 71 | 158.7 | -74.3 | -178.4 | 174.7 | 0 | 0 | 107.4 | ||||
| 927 | E | 25 | Very low | 29.4 | Very low | 133 Ų | 133 | 142 Ų | 142 | 62% | 0.621 | 74% | 0.741 | S | S | * | * | trans | -100.2 | 117.5 | 154.4 | -73.6 | -169 | 170.2 | 0 | 0 | 105.6 | E925 D929 | E925-E927 PolarHBondContact O-N 3.06Å; E927-D929 PolarHBondContact O-N 3.46Å | ||
| 928 | E | 27.7 | Very low | 30.2 | Very low | 202 Ų | 202 | 143.5 Ų | 143.5 | 94% | 0.944 | 74% | 0.736 | S | S | * | * | trans | -57.4 | 82.6 | 162.3 | -69.8 | 177.1 | 151.8 | 0 | 0 | 108.7 | ||||
| 929 | D | 24.5 | Very low | 31.2 | Very low | 122 Ų | 122 | 141 Ų | 141 | 65% | 0.652 | 72% | 0.72 | S | S | * | * | trans | -110.3 | 77.4 | 171.6 | -133.2 | 15.8 | 0 | 0 | 0 | 107.3 | E927 D931 | E927-D929 PolarHBondContact O-N 3.46Å; D929-D931 PolarHBondContact O-N 2.82Å | ||
| 930 | D | 28.2 | Very low | 33.1 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 64% | 0.642 | 69% | 0.692 | S | S | * | * | 36.3 | 84 | 127.2 | -104.7 | -11.7 | 0 | 0 | 0 | 114.4 | W932 | D930-W932 PolarHBondContact O-N 3.17Å; D930-W932 PolarHBondContact OD1-NE1 2.83Å | |||
| 931 | D | 25 | Very low | 35.2 | Very low | 125 Ų | 125 | 136 Ų | 136 | 67% | 0.668 | 69% | 0.686 | S | S | * | * | trans | -73.2 | 50.7 | 178 | -127.8 | -1.4 | 0 | 0 | 0 | 112.6 | R921 D929 D933 | R921-D931 IonicContact CZ-OD1 3.39Å; R921-D931 VanDerWaalsContact CZ-OD1 3.23Å; R921-D931 VanDerWaalsContact NH1-CG 3.3Å; R921-D931 IonicContact NH1-OD1 3.8Å; R921-D931 PolarHBondContact NH1-OD1 3.36Å; R921-D931 IonicContact NH1-OD2 3.14Å; R921-D931 PolarHBondContact NH1-OD2 3.39Å; R921-D931 IonicContact NH2-OD1 2.61Å; R921-D931 PolarHBondContact NH2-OD1 2.97Å; R921-D931 IonicContact NH2-OD2 2.79Å; D929-D931 PolarHBondContact O-N 2.82Å; D931-D933 VanDerWaalsContact C-N 3.28Å; D931-D933 PolarHBondContact O-N 2.83Å; D931-D933 VanDerWaalsContact O-N 3.11Å | ||
| 932 | W | 30.6 | Very low | 37.8 | Very low | 193 Ų | 193 | 127.7 Ų | 127.7 | 73% | 0.731 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 25.1 | -173.2 | -82.8 | 95.3 | 0 | 0 | 0 | 116.4 | D930 | D930-W932 PolarHBondContact O-N 3.17Å; D930-W932 PolarHBondContact OD1-NE1 2.83Å |
| 933 | D | 27.8 | Very low | 40.4 | Very low | 167 Ų | 167 | 125.6 Ų | 125.6 | 89% | 0.893 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.6 | 29.7 | -178.6 | -88.2 | -32.7 | 0 | 0 | 0 | 115.5 | D931 | D931-D933 VanDerWaalsContact C-N 3.28Å; D931-D933 PolarHBondContact O-N 2.83Å; D931-D933 VanDerWaalsContact O-N 3.11Å |
| 934 | E | 28.3 | Very low | 42.6 | Very low | 165 Ų | 165 | 121.1 Ų | 121.1 | 77% | 0.771 | 62% | 0.622 | S | S | * | * | trans | -128.6 | 96.3 | 152 | -112.2 | -179.4 | -176.8 | 0 | 0 | 108.8 | V936 | E934-V936 PolarHBondContact O-N 3.5Š| ||
| 935 | E | 30.6 | Very low | 45.3 | Very low | 208 Ų | 208 | 114.9 Ų | 114.9 | 97% | 0.972 | 59% | 0.587 | S | S | * | * | trans | -62.3 | 70.4 | 166.9 | -83.6 | -176.5 | 157.3 | 0 | 0 | 109.8 | ||||
| 936 | V | 36.3 | Very low | 48.1 | Very low | 79 Ų | 79 | 111.3 Ų | 111.3 | 48% | 0.479 | 58% | 0.576 | S | S | . | * | trans | -67.3 | 127.3 | 150.6 | -177.4 | 0 | 0 | 0 | 0 | 104.2 | T878 E934 E938 | T878-V936 HydrophobicContact CG2-CG1 4.38Å; E934-V936 PolarHBondContact O-N 3.5Å; V936-E938 PolarHBondContact O-N 2.97Å | ||
| 937 | L | 40.4 | Very low | 51.1 | Low | 80 Ų | 80 | 101.3 Ų | 101.3 | 42% | 0.419 | 53% | 0.53 | S | S | . | . | trans | -59.3 | 87.8 | 174.3 | -82.5 | 151.4 | 0 | 0 | 0 | 109.1 | L829 | L829-L937 HydrophobicContact CD2-CD2 4.38Š| ||
| 938 | E | 44.7 | Very low | 54 | Low | 146 Ų | 146 | 97 Ų | 97 | 68% | 0.682 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 140.8 | -178.4 | -79.2 | 179.4 | 159.7 | 0 | 0 | 110.6 | V936 T940 | V936-E938 PolarHBondContact O-N 2.97Å; E938-T940 PolarHBondContact O-N 3.09Å |
| 939 | E | 54.9 | Low | 56.9 | Low | 90 Ų | 90 | 87.7 Ų | 87.7 | 42% | 0.421 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 124.4 | 160.3 | -67.7 | 179.4 | -175.3 | 0 | 0 | 106.8 | R879 A941 | R879-E939 IonicContact CZ-OE1 3.27Å; R879-E939 IonicContact NE-OE1 2.68Å; R879-E939 PolarHBondContact NE-OE1 3.28Å; R879-E939 IonicContact NH2-OE1 2.96Å; R879-E939 PolarHBondContact NH2-OE1 3.39Å; R879-E939 IonicContact NH2-OE2 2.72Å; R879-E939 PolarHBondContact NH2-OE2 2.91Å; R879-E939 VanDerWaalsContact NH2-OE2 3.14Å; E939-A941 PolarHBondContact O-N 3.37Å |
| 940 | T | 65.1 | Low | 59.8 | Low | 22 Ų | 22 | 84.4 Ų | 84.4 | 14% | 0.135 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 137.7 | 177.3 | 56.6 | 0 | 0 | 0 | 0 | 108.6 | E938 L942 E943 | E938-T940 PolarHBondContact O-N 3.09Å; T940-L942 PolarHBondContact O-N 3.4Å; T940-E943 WeakPolarHBondContact O-CB 3.27Å; T940-E943 PolarHBondContact O-N 3.44Å |
| 941 | A | 70.8 | Confident | 62.3 | Low | 85 Ų | 85 | 83.7 Ų | 83.7 | 70% | 0.702 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -50.2 | -29 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | E939 E943 G944 | E939-A941 PolarHBondContact O-N 3.37Å; A941-E943 PolarHBondContact O-N 3.02Å; A941-G944 PolarHBondContact O-N 3.26Å |
| 942 | L | 83.9 | Confident | 64.2 | Low | 3 Ų | 3 | 85.5 Ų | 85.5 | 2% | 0.016 | 46% | 0.458 | C | S | . | . | G | 310 helix | trans | -68 | -13.4 | 177 | -58.9 | 171 | 0 | 0 | 0 | 115 | C736 K740 M781 T940 G944 F945 | C736-L942 HydrophobicContact CB-CD1 3.9Å; K740-L942 HydrophobicContact CB-CD2 4.27Å; K740-L942 HydrophobicContact CG-CB 4.39Å; K740-L942 HydrophobicContact CG-CD2 4.45Å; M781-L942 HydrophobicContact CG-CD1 3.7Å; M781-L942 HydrophobicContact SD-CD1 3.54Å; M781-L942 VanDerWaalsContact SD-CD1 3.54Å; T940-L942 PolarHBondContact O-N 3.4Å; L942-G944 PolarHBondContact O-N 3.07Å; L942-F945 HydrophobicContact CD2-CD2 4.25Å; L942-F945 HydrophobicContact CD2-CE2 4.21Å; L942-F945 PolarHBondContact O-N 3.29Å; L942-F945 VanDerWaalsContact O-N 3.15Å |
| 943 | E | 81.6 | Confident | 65.9 | Low | 34 Ų | 34 | 83.1 Ų | 83.1 | 16% | 0.159 | 46% | 0.46 | C | S | . | . | G | 310 helix | trans | -66.8 | -18.1 | 174.2 | -75.5 | -164.1 | -150.8 | 0 | 0 | 112.8 | G830 H831 R879 T940 A941 F945 | G830-E943 WeakPolarHBondContact CA-OE1 3.11Å; H831-E943 PolarHBondContact N-OE1 3.18Å; R879-E943 IonicContact NH2-OE2 3.23Å; T940-E943 WeakPolarHBondContact O-CB 3.27Å; T940-E943 PolarHBondContact O-N 3.44Å; A941-E943 PolarHBondContact O-N 3.02Å; E943-F945 PolarHBondContact O-N 2.82Å |
| 944 | G | 80.9 | Confident | 68.4 | Low | 67 Ų | 67 | 76.8 Ų | 76.8 | 69% | 0.691 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -60.8 | -25.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A941 L942 S946 | A941-G944 PolarHBondContact O-N 3.26Å; L942-G944 PolarHBondContact O-N 3.07Å; G944-S946 PolarHBondContact O-N 3.02Å; G944-S946 VanDerWaalsContact O-N 3.12Å |
| 945 | F | 89.4 | Confident | 71 | Confident | 26 Ų | 26 | 71 Ų | 71 | 11% | 0.114 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -88.2 | 79.3 | -179.8 | -57.4 | -65.1 | 0 | 0 | 0 | 111.7 | M694 P695 H698 H737 K740 L942 E943 | M694-F945 HydrophobicContact CB-CE1 4.33Å; M694-F945 HydrophobicContact CB-CZ 4.05Å; M694-F945 HydrophobicContact CE-CB 4.31Å; M694-F945 HydrophobicContact CE-CD1 4Å; M694-F945 HydrophobicContact CE-CD2 4.15Å; M694-F945 HydrophobicContact CE-CE1 4.42Å; M694-F945 HydrophobicContact CE-CG 3.86Å; M694-F945 HydrophobicContact CG-CD1 4.13Å; M694-F945 HydrophobicContact CG-CD2 4.34Å; M694-F945 HydrophobicContact CG-CE1 3.61Å; M694-F945 HydrophobicContact CG-CE2 3.84Å; M694-F945 HydrophobicContact CG-CG 4.47Å; M694-F945 HydrophobicContact CG-CZ 3.44Å; M694-F945 VanDerWaalsContact CG-CZ 3.44Å; P695-F945 HydrophobicContact CB-CE1 4.34Å; P695-F945 HydrophobicContact CG-CE1 4.03Å; P695-F945 HydrophobicContact CG-CZ 4.32Å; H698-F945 HydrophobicContact CB-CD1 4.08Å; H737-F945 AromaticContact CD2-CE2 3.62Å; H737-F945 AromaticContact NE2-CE2 3.87Å; K740-F945 HydrophobicContact CG-CB 4.21Å; K740-F945 HydrophobicContact CG-CD2 4.33Å; L942-F945 HydrophobicContact CD2-CD2 4.25Å; L942-F945 HydrophobicContact CD2-CE2 4.21Å; L942-F945 PolarHBondContact O-N 3.29Å; L942-F945 VanDerWaalsContact O-N 3.15Å; E943-F945 PolarHBondContact O-N 2.82Å |
| 946 | S | 87.4 | Confident | 73.8 | Confident | 57 Ų | 57 | 62.7 Ų | 62.7 | 40% | 0.399 | 37% | 0.366 | S | S | . | . | trans | -59.5 | 149.1 | -175.4 | 66.4 | 0 | 0 | 0 | 0 | 114.5 | H698 G944 | H698-S946 PolarHBondContact CE1-O 3.01Å; H698-S946 PolarHBondContact NE2-O 3.31Å; G944-S946 PolarHBondContact O-N 3.02Å; G944-S946 VanDerWaalsContact O-N 3.12Å | ||
| 947 | T | 89.3 | Confident | 76.4 | Confident | 4 Ų | 4 | 59.3 Ų | 59.3 | 3% | 0.025 | 35% | 0.346 | C | S | . | . | trans | -124.5 | 168.8 | 176.6 | 76.1 | 0 | 0 | 0 | 0 | 110.6 | V744 L747 H832 L949 D950 | V744-T947 HydrophobicContact CG2-CG2 4.07Å; L747-T947 HydrophobicContact CD1-CG2 3.92Å; H832-T947 PolarHBondContact CE1-OG1 2.94Å; H832-T947 VanDerWaalsContact CE1-OG1 3.25Å; T947-L949 PolarHBondContact O-N 3.26Å; T947-L949 PolarHBondContact OG1-N 3.3Å; T947-D950 WeakPolarHBondContact CA-OD2 3.33Å; T947-D950 WeakPolarHBondContact CB-OD2 3.48Å; T947-D950 PolarHBondContact N-OD2 3.49Å; T947-D950 PolarHBondContact O-N 3.48Å; T947-D950 PolarHBondContact OG1-OD2 2.86Å | ||
| 948 | P | 87 | Confident | 78.7 | Confident | 42 Ų | 42 | 56.1 Ų | 56.1 | 27% | 0.273 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -19.2 | 172.5 | -28.1 | 35.8 | 0 | 0 | 0 | 115.1 | D950 S954 | P948-D950 VanDerWaalsContact C-N 3.34Å; P948-S954 WeakPolarHBondContact O-CB 3.32Å |
| 949 | L | 87.7 | Confident | 80.9 | Confident | 7 Ų | 7 | 52 Ų | 52 | 4% | 0.037 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -9.2 | 178.5 | -68.6 | 176.4 | 0 | 0 | 0 | 113.3 | L747 Y791 K835 M836 T947 S954 V955 | L747-L949 HydrophobicContact CD1-CD1 4.09Å; L747-L949 HydrophobicContact CD2-CD1 3.84Å; Y791-L949 HydrophobicContact CD1-CD1 4.19Å; Y791-L949 HydrophobicContact CE1-CD1 3.92Å; Y791-L949 HydrophobicContact CE1-CD2 4.05Å; Y791-L949 HydrophobicContact CE1-CG 4.37Å; K835-L949 VanDerWaalsContact CE-O 3.31Å; K835-L949 WeakPolarHBondContact CE-O 3.43Å; K835-L949 PolarHBondContact NZ-O 2.95Å; M836-L949 HydrophobicContact CE-CD1 4.3Å; M836-L949 HydrophobicContact SD-CD1 3.14Å; M836-L949 WeakPolarHBondContact SD-CD1 3.38Å; T947-L949 PolarHBondContact O-N 3.26Å; T947-L949 PolarHBondContact OG1-N 3.3Å; L949-S954 WeakPolarHBondContact O-CB 3.5Å; L949-S954 PolarHBondContact O-OG 3.45Å; L949-V955 HydrophobicContact CD2-CB 4.28Å; L949-V955 HydrophobicContact CD2-CG2 4.27Å |
| 950 | D | 85.6 | Confident | 82.7 | Confident | 53 Ų | 53 | 50.2 Ų | 50.2 | 28% | 0.283 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -14.3 | 179.9 | -55.2 | -52 | 0 | 0 | 0 | 112.6 | H832 T947 P948 | H832-D950 IonicContact CE1-OD1 3.49Å; H832-D950 IonicContact CE1-OD2 3.03Å; H832-D950 IonicContact CG-OD1 2.73Å; H832-D950 VanDerWaalsContact ND1-CG 3.26Å; H832-D950 IonicContact ND1-OD1 2.81Å; H832-D950 PolarHBondContact ND1-OD1 3.36Å; H832-D950 IonicContact ND1-OD2 2.75Å; H832-D950 PolarHBondContact ND1-OD2 2.99Å; T947-D950 WeakPolarHBondContact CA-OD2 3.33Å; T947-D950 WeakPolarHBondContact CB-OD2 3.48Å; T947-D950 PolarHBondContact N-OD2 3.49Å; T947-D950 PolarHBondContact O-N 3.48Å; T947-D950 PolarHBondContact OG1-OD2 2.86Å; P948-D950 VanDerWaalsContact C-N 3.34Å |
| 951 | L | 81.6 | Confident | 84.1 | Confident | 105 Ų | 105 | 49.2 Ų | 49.2 | 55% | 0.55 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -67.1 | 149.3 | 179.8 | -57.6 | 175.3 | 0 | 0 | 0 | 112.1 | N953 S954 | L951-N953 PolarHBondContact O-N 3.34Å; L951-S954 WeakPolarHBondContact O-CB 3.19Å; L951-S954 PolarHBondContact O-N 3.3Å; L951-S954 PolarHBondContact O-OG 3.19Å |
| 952 | D | 65.1 | Low | 85.1 | Confident | 162 Ų | 162 | 45.9 Ų | 45.9 | 87% | 0.866 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -24.5 | -177.8 | -79.2 | -19.1 | 0 | 0 | 0 | 115.2 | ||
| 953 | N | 65.8 | Low | 85.5 | Confident | 143 Ų | 143 | 50.3 Ų | 50.3 | 77% | 0.765 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | 13.7 | 179.4 | -65.5 | -31 | 0 | 0 | 0 | 112.9 | L951 | L951-N953 PolarHBondContact O-N 3.34Š|
| 954 | S | 80.2 | Confident | 86 | Confident | 35 Ų | 35 | 48.8 Ų | 48.8 | 25% | 0.245 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -73.6 | 177.8 | -179.4 | 66 | 0 | 0 | 0 | 0 | 112.7 | K835 P948 L949 L951 D956 | K835-S954 PolarHBondContact NZ-OG 3.24Å; P948-S954 WeakPolarHBondContact O-CB 3.32Å; L949-S954 WeakPolarHBondContact O-CB 3.5Å; L949-S954 PolarHBondContact O-OG 3.45Å; L951-S954 WeakPolarHBondContact O-CB 3.19Å; L951-S954 PolarHBondContact O-N 3.3Å; L951-S954 PolarHBondContact O-OG 3.19Å; S954-D956 PolarHBondContact O-N 3.35Å |
| 955 | V | 83.4 | Confident | 86.5 | Confident | 44 Ų | 44 | 45.6 Ų | 45.6 | 27% | 0.267 | 25% | 0.245 | S | C | . | . | trans | -63 | 123.9 | 175.4 | 178.9 | 0 | 0 | 0 | 0 | 109.5 | K835 I839 L949 F960 | K835-V955 WeakPolarHBondContact CE-O 3.42Å; K835-V955 PolarHBondContact NZ-O 3.12Å; I839-V955 HydrophobicContact CD1-CG1 4.41Å; L949-V955 HydrophobicContact CD2-CB 4.28Å; L949-V955 HydrophobicContact CD2-CG2 4.27Å; V955-F960 HydrophobicContact CG1-CB 3.82Å; V955-F960 HydrophobicContact CG1-CD2 3.37Å; V955-F960 HydrophobicContact CG1-CE2 4.21Å; V955-F960 HydrophobicContact CG1-CG 3.87Å | ||
| 956 | D | 88.4 | Confident | 86.6 | Confident | 32 Ų | 32 | 47.5 Ų | 47.5 | 17% | 0.171 | 26% | 0.256 | C | S | . | . | trans | -79.4 | 121.7 | 173.4 | 178.3 | -80.1 | 0 | 0 | 0 | 110.2 | S954 Y958 Q959 F960 R1001 | S954-D956 PolarHBondContact O-N 3.35Å; D956-Y958 VanDerWaalsContact C-N 3.34Å; D956-Y958 PolarHBondContact O-N 3.49Å; D956-Y958 WeakPolarHBondContact OD1-CA 3.45Å; D956-Y958 WeakPolarHBondContact OD1-CB 3.13Å; D956-Y958 PolarHBondContact OD1-N 3.2Å; D956-Q959 HydrophobicContact CB-CB 4.16Å; D956-Q959 HydrophobicContact CB-CG 4.2Å; D956-Q959 PolarHBondContact O-N 2.92Å; D956-Q959 WeakPolarHBondContact OD1-CG 3.25Å; D956-Q959 PolarHBondContact OD1-N 3.47Å; D956-F960 VanDerWaalsContact O-CB 3.3Å; D956-F960 WeakPolarHBondContact O-CB 3.32Å; D956-F960 PolarHBondContact O-N 3.23Å; D956-R1001 WeakPolarHBondContact OD2-CD 3.38Å; D956-R1001 IonicContact OD2-CZ 3.64Å; D956-R1001 IonicContact OD2-NE 3.5Å; D956-R1001 IonicContact OD2-NH1 2.82Å; D956-R1001 PolarHBondContact OD2-NH1 3.12Å | ||
| 957 | E | 90.4 | Very high | 86.8 | Confident | 9 Ų | 9 | 46.5 Ų | 46.5 | 4% | 0.042 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.4 | -34.5 | -175.1 | 60.1 | -69.9 | 158.3 | 0 | 0 | 113.8 | K835 I838 F869 L872 F961 R1001 | K835-E957 WeakPolarHBondContact CE-OE2 3.48Å; K835-E957 HydrophobicContact CG-CB 4.19Å; K835-E957 IonicContact NZ-OE2 3.08Å; I838-E957 HydrophobicContact CG2-CB 4.22Å; F869-E957 HydrophobicContact CE1-CB 4.49Å; F869-E957 HydrophobicContact CE1-CG 4Å; L872-E957 HydrophobicContact CD1-CG 4.02Å; E957-F961 WeakPolarHBondContact O-CB 3.25Å; E957-F961 PolarHBondContact O-N 3.25Å; E957-R1001 IonicContact OE1-CZ 2.69Å; E957-R1001 IonicContact OE1-NH1 2.73Å; E957-R1001 PolarHBondContact OE1-NH1 3.01Å |
| 958 | Y | 90.4 | Very high | 86.9 | Confident | 12 Ų | 12 | 46.3 Ų | 46.3 | 5% | 0.047 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69.8 | -44.2 | 177.8 | -69.7 | -98.8 | 0 | 0 | 0 | 110.5 | F869 D956 T962 V994 L997 | F869-Y958 AromaticContact CD1-CD1 3.83Å; F869-Y958 HydrophobicContact CD1-CD1 3.83Å; F869-Y958 HydrophobicContact CD1-CD2 4.28Å; F869-Y958 AromaticContact CD1-CE1 3.31Å; F869-Y958 HydrophobicContact CD1-CE1 3.31Å; F869-Y958 AromaticContact CD1-CE2 3.83Å; F869-Y958 HydrophobicContact CD1-CE2 3.83Å; F869-Y958 HydrophobicContact CD1-CG 4.28Å; F869-Y958 AromaticContact CD1-CZ 3.33Å; F869-Y958 AromaticContact CE1-CD1 3.55Å; F869-Y958 HydrophobicContact CE1-CD1 3.55Å; F869-Y958 AromaticContact CE1-CD2 3.76Å; F869-Y958 HydrophobicContact CE1-CD2 3.76Å; F869-Y958 AromaticContact CE1-CE1 3.56Å; F869-Y958 HydrophobicContact CE1-CE1 3.56Å; F869-Y958 AromaticContact CE1-CE2 3.78Å; F869-Y958 HydrophobicContact CE1-CE2 3.78Å; F869-Y958 AromaticContact CE1-CG 3.65Å; F869-Y958 HydrophobicContact CE1-CG 3.65Å; F869-Y958 AromaticContact CE1-CZ 3.69Å; F869-Y958 HydrophobicContact CG-CE1 4.02Å; F869-Y958 HydrophobicContact CZ-CD1 4.12Å; F869-Y958 HydrophobicContact CZ-CE1 4.43Å; F869-Y958 HydrophobicContact CZ-CG 4.27Å; D956-Y958 VanDerWaalsContact C-N 3.34Å; D956-Y958 PolarHBondContact O-N 3.49Å; D956-Y958 WeakPolarHBondContact OD1-CA 3.45Å; D956-Y958 WeakPolarHBondContact OD1-CB 3.13Å; D956-Y958 PolarHBondContact OD1-N 3.2Å; Y958-T962 WeakPolarHBondContact O-CB 3.44Å; Y958-T962 PolarHBondContact O-N 3.08Å; Y958-T962 PolarHBondContact O-OG1 3.45Å; Y958-V994 HydrophobicContact CD1-CB 4.47Å; Y958-V994 HydrophobicContact CD1-CG1 4.01Å; Y958-V994 HydrophobicContact CD1-CG2 4.42Å; Y958-V994 HydrophobicContact CE1-CG2 4.29Å; Y958-L997 HydrophobicContact CD1-CB 4.39Å; Y958-L997 HydrophobicContact CD1-CD2 3.85Å; Y958-L997 HydrophobicContact CD1-CG 4.42Å; Y958-L997 HydrophobicContact CE1-CD2 3.54Å; Y958-L997 HydrophobicContact CE2-CD2 4.32Å; Y958-L997 HydrophobicContact CG-CD2 4.38Å |
| 959 | Q | 90.1 | Very high | 87 | Confident | 61 Ų | 61 | 48.8 Ų | 48.8 | 29% | 0.285 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -67.2 | -41.8 | 176.2 | -68.8 | 177 | 41.8 | 0 | 0 | 111.6 | D956 T962 Q963 R1002 | D956-Q959 HydrophobicContact CB-CB 4.16Å; D956-Q959 HydrophobicContact CB-CG 4.2Å; D956-Q959 PolarHBondContact O-N 2.92Å; D956-Q959 WeakPolarHBondContact OD1-CG 3.25Å; D956-Q959 PolarHBondContact OD1-N 3.47Å; Q959-T962 PolarHBondContact O-N 3.4Å; Q959-Q963 VanDerWaalsContact O-CB 3.29Å; Q959-Q963 WeakPolarHBondContact O-CB 3.36Å; Q959-Q963 PolarHBondContact O-N 3.22Å; Q959-R1002 HydrophobicContact CG-CB 4.39Å |
| 960 | F | 92.3 | Very high | 87.1 | Confident | 52 Ų | 52 | 53.1 Ų | 53.1 | 23% | 0.228 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.9 | -51.4 | -179.5 | -166.9 | -88.6 | 0 | 0 | 0 | 111.4 | I839 I843 V955 D956 Q963 A964 | I839-F960 HydrophobicContact CB-CD1 4.42Å; I839-F960 HydrophobicContact CB-CE1 4.46Å; I839-F960 HydrophobicContact CG1-CD1 4.23Å; I839-F960 HydrophobicContact CG1-CG 4.46Å; I839-F960 HydrophobicContact CG2-CD1 4.24Å; I839-F960 HydrophobicContact CG2-CE1 3.87Å; I839-F960 HydrophobicContact CG2-CZ 4.13Å; I843-F960 HydrophobicContact CD1-CZ 4.3Å; I843-F960 HydrophobicContact CG1-CE1 3.96Å; I843-F960 HydrophobicContact CG1-CZ 3.93Å; V955-F960 HydrophobicContact CG1-CB 3.82Å; V955-F960 HydrophobicContact CG1-CD2 3.37Å; V955-F960 HydrophobicContact CG1-CE2 4.21Å; V955-F960 HydrophobicContact CG1-CG 3.87Å; D956-F960 VanDerWaalsContact O-CB 3.3Å; D956-F960 WeakPolarHBondContact O-CB 3.32Å; D956-F960 PolarHBondContact O-N 3.23Å; F960-Q963 PolarHBondContact O-N 2.86Å; F960-A964 WeakPolarHBondContact O-CB 3.41Å; F960-A964 PolarHBondContact O-N 3.24Å |
| 961 | F | 95 | Very high | 87.4 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 176.2 | 168.3 | -111.8 | 0 | 0 | 0 | 112.5 | I838 S842 V862 I865 F869 E957 Q963 A964 L965 L991 V994 | I838-F961 HydrophobicContact CG2-CB 4.23Å; S842-F961 WeakPolarHBondContact OG-CA 3.31Å; S842-F961 WeakPolarHBondContact OG-CB 3.36Å; V862-F961 HydrophobicContact CG1-CZ 4.46Å; I865-F961 HydrophobicContact CB-CE2 4.36Å; I865-F961 HydrophobicContact CD1-CD2 3.63Å; I865-F961 HydrophobicContact CD1-CE2 3.47Å; I865-F961 VanDerWaalsContact CD1-CE2 3.47Å; I865-F961 HydrophobicContact CD1-CZ 4.46Å; I865-F961 HydrophobicContact CG1-CE2 4.5Å; I865-F961 HydrophobicContact CG2-CD1 4.2Å; I865-F961 HydrophobicContact CG2-CD2 3.81Å; I865-F961 HydrophobicContact CG2-CE1 4.19Å; I865-F961 HydrophobicContact CG2-CE2 3.82Å; I865-F961 HydrophobicContact CG2-CG 3.98Å; I865-F961 HydrophobicContact CG2-CZ 3.99Å; F869-F961 HydrophobicContact CE2-CB 4.26Å; F869-F961 AromaticContact CE2-CD1 3.61Å; F869-F961 HydrophobicContact CE2-CD1 3.61Å; F869-F961 HydrophobicContact CE2-CE1 4.17Å; F869-F961 HydrophobicContact CE2-CG 4.03Å; F869-F961 HydrophobicContact CZ-CB 4.05Å; F869-F961 HydrophobicContact CZ-CD1 4.12Å; F869-F961 HydrophobicContact CZ-CG 4.32Å; E957-F961 WeakPolarHBondContact O-CB 3.25Å; E957-F961 PolarHBondContact O-N 3.25Å; F961-Q963 VanDerWaalsContact C-N 3.33Å; F961-Q963 PolarHBondContact O-N 2.74Å; F961-A964 WeakPolarHBondContact O-CB 3.44Å; F961-A964 PolarHBondContact O-N 2.98Å; F961-L965 HydrophobicContact CE1-CD2 4.26Å; F961-L965 HydrophobicContact CE2-CB 4.49Å; F961-L965 HydrophobicContact CE2-CD2 4.36Å; F961-L965 HydrophobicContact CZ-CD2 3.78Å; F961-L965 WeakPolarHBondContact O-CB 3.35Å; F961-L965 PolarHBondContact O-N 3.41Å; F961-L991 HydrophobicContact CE1-CD1 3.66Å; F961-L991 HydrophobicContact CZ-CD1 3.94Å; F961-V994 HydrophobicContact CD1-CG1 3.85Å; F961-V994 HydrophobicContact CE1-CG1 4.07Å |
| 962 | T | 91.8 | Very high | 87.8 | Confident | 16 Ų | 16 | 52.9 Ų | 52.9 | 10% | 0.098 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.6 | -45 | -179.5 | -67.6 | 0 | 0 | 0 | 0 | 111.4 | Y958 Q959 L965 I966 Y995 A998 | Y958-T962 WeakPolarHBondContact O-CB 3.44Å; Y958-T962 PolarHBondContact O-N 3.08Å; Y958-T962 PolarHBondContact O-OG1 3.45Å; Q959-T962 PolarHBondContact O-N 3.4Å; T962-L965 PolarHBondContact O-N 3.34Å; T962-I966 HydrophobicContact CG2-CD1 3.89Å; T962-I966 WeakPolarHBondContact O-CD1 3.24Å; T962-I966 VanDerWaalsContact O-CG1 3.25Å; T962-I966 WeakPolarHBondContact O-CG1 3.47Å; T962-I966 PolarHBondContact O-N 2.65Å; T962-I966 VanDerWaalsContact O-N 3.08Å; T962-Y995 HydrophobicContact CG2-CD1 3.48Å; T962-Y995 VanDerWaalsContact CG2-CD1 3.48Å; T962-Y995 HydrophobicContact CG2-CE1 3.57Å; T962-A998 HydrophobicContact CG2-CB 4.26Å; T962-A998 WeakPolarHBondContact OG1-CB 3.5Å |
| 963 | Q | 91.9 | Very high | 88.9 | Confident | 96 Ų | 96 | 48.2 Ų | 48.2 | 45% | 0.449 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.2 | -40.3 | 177.3 | -174.5 | 57.7 | 51.1 | 0 | 0 | 111.5 | Q959 F960 F961 L965 I966 T967 | Q959-Q963 VanDerWaalsContact O-CB 3.29Å; Q959-Q963 WeakPolarHBondContact O-CB 3.36Å; Q959-Q963 PolarHBondContact O-N 3.22Å; F960-Q963 PolarHBondContact O-N 2.86Å; F961-Q963 VanDerWaalsContact C-N 3.33Å; F961-Q963 PolarHBondContact O-N 2.74Å; Q963-L965 VanDerWaalsContact C-N 3.34Å; Q963-L965 PolarHBondContact O-N 3.19Å; Q963-I966 PolarHBondContact O-N 2.87Å; Q963-T967 PolarHBondContact NE2-OG1 3.03Å; Q963-T967 WeakPolarHBondContact O-CB 3.44Å; Q963-T967 PolarHBondContact O-N 3.24Å; Q963-T967 PolarHBondContact O-OG1 2.7Å |
| 964 | A | 92 | Very high | 90 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.2 | -46 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L845 E846 F960 F961 T967 V968 | L845-A964 HydrophobicContact CD2-CB 4.32Å; E846-A964 HydrophobicContact CG-CB 3.61Å; E846-A964 WeakPolarHBondContact OE1-CA 3.47Å; F960-A964 WeakPolarHBondContact O-CB 3.41Å; F960-A964 PolarHBondContact O-N 3.24Å; F961-A964 WeakPolarHBondContact O-CB 3.44Å; F961-A964 PolarHBondContact O-N 2.98Å; A964-T967 PolarHBondContact O-N 3.23Å; A964-V968 PolarHBondContact O-N 2.82Å |
| 965 | L | 92.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.7 | -39.3 | -178.6 | -168 | 57.8 | 0 | 0 | 0 | 112.6 | L845 F961 T962 Q963 V968 Q969 Y976 M980 L991 Y995 | L845-L965 HydrophobicContact CD1-CD1 4.1Å; L845-L965 HydrophobicContact CD2-CD1 4.24Å; F961-L965 HydrophobicContact CE1-CD2 4.26Å; F961-L965 HydrophobicContact CE2-CB 4.49Å; F961-L965 HydrophobicContact CE2-CD2 4.36Å; F961-L965 HydrophobicContact CZ-CD2 3.78Å; F961-L965 WeakPolarHBondContact O-CB 3.35Å; F961-L965 PolarHBondContact O-N 3.41Å; T962-L965 PolarHBondContact O-N 3.34Å; Q963-L965 VanDerWaalsContact C-N 3.34Å; Q963-L965 PolarHBondContact O-N 3.19Å; L965-V968 PolarHBondContact O-N 3.26Å; L965-Q969 WeakPolarHBondContact O-CB 3.48Å; L965-Q969 PolarHBondContact O-N 3.46Å; L965-Y976 HydrophobicContact CD1-CD2 4.07Å; L965-Y976 HydrophobicContact CD1-CE2 3.91Å; L965-Y976 HydrophobicContact CG-CE2 3.97Å; L965-M980 HydrophobicContact CD1-CE 3.68Å; L965-M980 HydrophobicContact CD2-CE 3.75Å; L965-M980 HydrophobicContact CG-CE 4.21Å; L965-L991 HydrophobicContact CD2-CD1 4.03Å; L965-L991 HydrophobicContact CD2-CD2 4.42Å; L965-Y995 HydrophobicContact CD2-CE2 4.35Å; L965-Y995 VanDerWaalsContact CD2-OH 3.26Å; L965-Y995 WeakPolarHBondContact CD2-OH 3.36Å |
| 966 | I | 90.7 | Very high | 90.8 | Very high | 66 Ų | 66 | 42.7 Ų | 42.7 | 34% | 0.338 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -65.1 | -41.9 | 174.1 | -68.1 | 166.2 | 0 | 0 | 0 | 110.9 | T962 Q963 V968 Q969 S970 Y995 | T962-I966 HydrophobicContact CG2-CD1 3.89Å; T962-I966 WeakPolarHBondContact O-CD1 3.24Å; T962-I966 VanDerWaalsContact O-CG1 3.25Å; T962-I966 WeakPolarHBondContact O-CG1 3.47Å; T962-I966 PolarHBondContact O-N 2.65Å; T962-I966 VanDerWaalsContact O-N 3.08Å; Q963-I966 PolarHBondContact O-N 2.87Å; I966-V968 VanDerWaalsContact C-N 3.33Å; I966-V968 PolarHBondContact O-N 3.22Å; I966-Q969 WeakPolarHBondContact O-CB 3.41Å; I966-Q969 PolarHBondContact O-N 3.47Å; I966-S970 PolarHBondContact O-N 2.79Å; I966-S970 PolarHBondContact O-OG 3.36Å; I966-Y995 HydrophobicContact CD1-CE1 4.2Å; I966-Y995 HydrophobicContact CG1-CE1 4.15Å |
| 967 | T | 91.9 | Very high | 90.8 | Very high | 37 Ų | 37 | 47.2 Ų | 47.2 | 23% | 0.227 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.6 | -46.6 | 177.2 | -58.1 | 0 | 0 | 0 | 0 | 110.3 | Q963 A964 S970 R971 | Q963-T967 PolarHBondContact NE2-OG1 3.03Å; Q963-T967 WeakPolarHBondContact O-CB 3.44Å; Q963-T967 PolarHBondContact O-N 3.24Å; Q963-T967 PolarHBondContact O-OG1 2.7Å; A964-T967 PolarHBondContact O-N 3.23Å; T967-S970 PolarHBondContact O-N 3.28Å; T967-S970 PolarHBondContact O-OG 3.23Å; T967-R971 WeakPolarHBondContact O-CB 3.35Å; T967-R971 PolarHBondContact O-N 3.04Å |
| 968 | V | 90.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 174.3 | 166.6 | 0 | 0 | 0 | 0 | 112.3 | L845 A964 L965 I966 S970 R971 D972 W975 L979 | L845-V968 HydrophobicContact CD2-CB 4Å; L845-V968 HydrophobicContact CD2-CG2 3.41Å; L845-V968 VanDerWaalsContact CD2-CG2 3.41Å; L845-V968 HydrophobicContact CG-CG2 4.14Å; L845-V968 WeakPolarHBondContact O-CG2 3.49Å; A964-V968 PolarHBondContact O-N 2.82Å; L965-V968 PolarHBondContact O-N 3.26Å; I966-V968 VanDerWaalsContact C-N 3.33Å; I966-V968 PolarHBondContact O-N 3.22Å; V968-S970 VanDerWaalsContact C-N 3.26Å; V968-S970 PolarHBondContact O-N 3.01Å; V968-R971 PolarHBondContact O-N 2.91Å; V968-D972 CarbonylContact O-C 3.43Å; V968-D972 PolarHBondContact O-N 3.41Å; V968-W975 HydrophobicContact CG1-CG 4.38Å; V968-L979 HydrophobicContact CG1-CD1 4.12Å |
| 969 | Q | 90.5 | Very high | 90.8 | Very high | 93 Ų | 93 | 50.9 Ų | 50.9 | 44% | 0.435 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -57 | -40.9 | 178 | -170.8 | -177.9 | 38.8 | 0 | 0 | 112.3 | L965 I966 Y976 | L965-Q969 WeakPolarHBondContact O-CB 3.48Å; L965-Q969 PolarHBondContact O-N 3.46Å; I966-Q969 WeakPolarHBondContact O-CB 3.41Å; I966-Q969 PolarHBondContact O-N 3.47Å; Q969-Y976 HydrophobicContact CB-CD2 3.61Å; Q969-Y976 HydrophobicContact CB-CE2 3.78Å; Q969-Y976 HydrophobicContact CB-CG 4.01Å; Q969-Y976 HydrophobicContact CG-CD1 4.05Å; Q969-Y976 HydrophobicContact CG-CD2 3.99Å; Q969-Y976 HydrophobicContact CG-CE1 4.03Å; Q969-Y976 HydrophobicContact CG-CE2 3.97Å; Q969-Y976 HydrophobicContact CG-CG 4.02Å; Q969-Y976 PolarHBondContact NE2-OH 3.19Å |
| 970 | S | 89.6 | Confident | 90.8 | Very high | 99 Ų | 99 | 49.1 Ų | 49.1 | 69% | 0.692 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -77 | -32.5 | 179.8 | 69.7 | 0 | 0 | 0 | 0 | 113.5 | I966 T967 V968 | I966-S970 PolarHBondContact O-N 2.79Å; I966-S970 PolarHBondContact O-OG 3.36Å; T967-S970 PolarHBondContact O-N 3.28Å; T967-S970 PolarHBondContact O-OG 3.23Å; V968-S970 VanDerWaalsContact C-N 3.26Å; V968-S970 PolarHBondContact O-N 3.01Å |
| 971 | R | 91.7 | Very high | 90.6 | Very high | 107 Ų | 107 | 50.1 Ų | 50.1 | 40% | 0.404 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -91.9 | -40 | -172.1 | -169.3 | -178 | 72.5 | -169.4 | 4.6 | 113.4 | E846 L847 T967 V968 | E846-R971 PolarHBondContact O-NH1 3.31Å; E846-R971 VanDerWaalsContact O-NH1 3.08Å; E846-R971 PolarHBondContact O-NH2 2.86Å; L847-R971 PolarHBondContact O-NH2 3.45Å; T967-R971 WeakPolarHBondContact O-CB 3.35Å; T967-R971 PolarHBondContact O-N 3.04Å; V968-R971 PolarHBondContact O-N 2.91Å |
| 972 | D | 89.2 | Confident | 90.3 | Very high | 45 Ų | 45 | 53.1 Ų | 53.1 | 24% | 0.241 | 30% | 0.304 | C | S | . | . | trans | -142.2 | 82.4 | -173.6 | -169.4 | -18.1 | 0 | 0 | 0 | 110.6 | R850 V968 A974 W975 Y976 | R850-D972 IonicContact CZ-OD2 3.98Å; R850-D972 IonicContact NH2-OD2 2.66Å; R850-D972 PolarHBondContact NH2-OD2 3.35Å; V968-D972 CarbonylContact O-C 3.43Å; V968-D972 PolarHBondContact O-N 3.41Å; D972-A974 PolarHBondContact O-N 2.74Å; D972-A974 PolarHBondContact OD1-N 3.44Å; D972-W975 HydrophobicContact CB-CB 3.95Å; D972-W975 PolarHBondContact O-N 2.98Å; D972-W975 WeakPolarHBondContact OD1-CB 3.24Å; D972-W975 PolarHBondContact OD1-N 3.24Å; D972-W975 WeakPolarHBondContact OD2-CB 3.29Å; D972-Y976 PolarHBondContact O-N 3.28Å | ||
| 973 | A | 88.2 | Confident | 90.2 | Very high | 65 Ų | 65 | 52.8 Ų | 52.8 | 54% | 0.537 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.3 | -30.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113 | Q977 | A973-Q977 VanDerWaalsContact O-CG 3.27Å; A973-Q977 WeakPolarHBondContact O-CG 3.48Å; A973-Q977 PolarHBondContact O-N 3.48Å; A973-Q977 VanDerWaalsContact O-N 3.12Å |
| 974 | A | 88.6 | Confident | 90.2 | Very high | 69 Ų | 69 | 50.7 Ų | 50.7 | 57% | 0.57 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -70.1 | -43.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | D972 Q977 L978 | D972-A974 PolarHBondContact O-N 2.74Å; D972-A974 PolarHBondContact OD1-N 3.44Å; A974-Q977 PolarHBondContact O-N 2.97Å; A974-L978 PolarHBondContact O-N 3.06Å |
| 975 | W | 90.6 | Very high | 89.9 | Confident | 5 Ų | 5 | 56.6 Ų | 56.6 | 2% | 0.019 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 174.2 | -177.6 | -127.3 | 0 | 0 | 0 | 112.2 | L845 V854 D855 V858 V968 D972 Q977 L978 L979 | L845-W975 PolarHBondContact O-NE1 2.99Å; V854-W975 HydrophobicContact CG1-CH2 4.19Å; V854-W975 HydrophobicContact CG1-CZ2 4.14Å; D855-W975 WeakPolarHBondContact OD1-CZ3 3.45Å; V858-W975 HydrophobicContact CB-CH2 3.52Å; V858-W975 HydrophobicContact CB-CZ2 4.46Å; V858-W975 HydrophobicContact CB-CZ3 3.65Å; V858-W975 HydrophobicContact CG2-CD2 4.46Å; V858-W975 HydrophobicContact CG2-CE3 3.86Å; V858-W975 HydrophobicContact CG2-CH2 3.32Å; V858-W975 HydrophobicContact CG2-CZ2 3.96Å; V858-W975 HydrophobicContact CG2-CZ3 3.26Å; V968-W975 HydrophobicContact CG1-CG 4.38Å; D972-W975 HydrophobicContact CB-CB 3.95Å; D972-W975 PolarHBondContact O-N 2.98Å; D972-W975 WeakPolarHBondContact OD1-CB 3.24Å; D972-W975 PolarHBondContact OD1-N 3.24Å; D972-W975 WeakPolarHBondContact OD2-CB 3.29Å; W975-Q977 VanDerWaalsContact C-N 3.31Å; W975-Q977 PolarHBondContact O-N 2.73Å; W975-L978 HydrophobicContact CE3-CD1 4.26Å; W975-L978 PolarHBondContact O-N 3.23Å; W975-L978 VanDerWaalsContact O-N 3.13Å; W975-L979 HydrophobicContact CD2-CD1 4.31Å; W975-L979 HydrophobicContact CD2-CG 4.44Å; W975-L979 HydrophobicContact CG-CD1 4.2Å; W975-L979 HydrophobicContact CZ2-CD2 4.25Å; W975-L979 WeakPolarHBondContact O-CG 3.35Å; W975-L979 PolarHBondContact O-N 3.34Å |
| 976 | Y | 90.1 | Very high | 89.7 | Confident | 32 Ų | 32 | 62.9 Ų | 62.9 | 13% | 0.125 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57 | -43.1 | 175.6 | -178.3 | -95.6 | 0 | 0 | 0 | 112.6 | L965 Q969 D972 L978 L979 M980 | L965-Y976 HydrophobicContact CD1-CD2 4.07Å; L965-Y976 HydrophobicContact CD1-CE2 3.91Å; L965-Y976 HydrophobicContact CG-CE2 3.97Å; Q969-Y976 HydrophobicContact CB-CD2 3.61Å; Q969-Y976 HydrophobicContact CB-CE2 3.78Å; Q969-Y976 HydrophobicContact CB-CG 4.01Å; Q969-Y976 HydrophobicContact CG-CD1 4.05Å; Q969-Y976 HydrophobicContact CG-CD2 3.99Å; Q969-Y976 HydrophobicContact CG-CE1 4.03Å; Q969-Y976 HydrophobicContact CG-CE2 3.97Å; Q969-Y976 HydrophobicContact CG-CG 4.02Å; Q969-Y976 PolarHBondContact NE2-OH 3.19Å; D972-Y976 PolarHBondContact O-N 3.28Å; Y976-L978 VanDerWaalsContact C-N 3.32Å; Y976-L978 PolarHBondContact O-N 3.04Å; Y976-L979 PolarHBondContact O-N 3.1Å; Y976-M980 HydrophobicContact CD1-CG 4.17Å; Y976-M980 HydrophobicContact CE1-CG 3.75Å; Y976-M980 HydrophobicContact CE2-CE 3.98Å; Y976-M980 HydrophobicContact CE2-CG 4.18Å; Y976-M980 HydrophobicContact CE2-SD 4.5Å; Y976-M980 VanDerWaalsContact O-CG 3.31Å; Y976-M980 WeakPolarHBondContact O-CG 3.38Å; Y976-M980 PolarHBondContact O-N 2.91Å; Y976-M980 VanDerWaalsContact O-N 3.11Å |
| 977 | Q | 89.6 | Confident | 89.6 | Confident | 127 Ų | 127 | 62.4 Ų | 62.4 | 59% | 0.593 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -63.5 | -37.6 | 177.7 | -69.9 | -64.5 | -31 | 0 | 0 | 112.3 | A973 A974 W975 M980 A981 | A973-Q977 VanDerWaalsContact O-CG 3.27Å; A973-Q977 WeakPolarHBondContact O-CG 3.48Å; A973-Q977 PolarHBondContact O-N 3.48Å; A973-Q977 VanDerWaalsContact O-N 3.12Å; A974-Q977 PolarHBondContact O-N 2.97Å; W975-Q977 VanDerWaalsContact C-N 3.31Å; W975-Q977 PolarHBondContact O-N 2.73Å; Q977-M980 PolarHBondContact O-N 3.21Å; Q977-A981 WeakPolarHBondContact O-CB 3.25Å; Q977-A981 PolarHBondContact O-N 3.08Å |
| 978 | L | 90.1 | Very high | 89.5 | Confident | 97 Ų | 97 | 65.8 Ų | 65.8 | 51% | 0.508 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.7 | -38.4 | 176.8 | -69.4 | 171.7 | 0 | 0 | 0 | 112.4 | V858 A974 W975 Y976 M980 P982 | V858-L978 HydrophobicContact CG2-CB 3.92Å; A974-L978 PolarHBondContact O-N 3.06Å; W975-L978 HydrophobicContact CE3-CD1 4.26Å; W975-L978 PolarHBondContact O-N 3.23Å; W975-L978 VanDerWaalsContact O-N 3.13Å; Y976-L978 VanDerWaalsContact C-N 3.32Å; Y976-L978 PolarHBondContact O-N 3.04Å; L978-M980 VanDerWaalsContact C-N 3.31Å; L978-M980 PolarHBondContact O-N 3.49Å; L978-P982 VanDerWaalsContact O-CD 3.31Å; L978-P982 WeakPolarHBondContact O-CD 3.35Å |
| 979 | L | 89 | Confident | 89.4 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.7 | -32 | 176.1 | -70.9 | 163.4 | 0 | 0 | 0 | 112.7 | L845 V858 I861 V862 V968 W975 Y976 | L845-L979 HydrophobicContact CD1-CD1 3.55Å; L845-L979 HydrophobicContact CD1-CD2 3.95Å; L845-L979 HydrophobicContact CD1-CG 4.35Å; L845-L979 HydrophobicContact CG-CD1 3.9Å; V858-L979 HydrophobicContact CG2-CD2 3.74Å; V858-L979 HydrophobicContact CG2-CG 3.98Å; I861-L979 HydrophobicContact CB-CD2 4.3Å; I861-L979 HydrophobicContact CD1-CD2 4.37Å; V862-L979 HydrophobicContact CG2-CB 4Å; V862-L979 HydrophobicContact CG2-CD2 4.07Å; V968-L979 HydrophobicContact CG1-CD1 4.12Å; W975-L979 HydrophobicContact CD2-CD1 4.31Å; W975-L979 HydrophobicContact CD2-CG 4.44Å; W975-L979 HydrophobicContact CG-CD1 4.2Å; W975-L979 HydrophobicContact CZ2-CD2 4.25Å; W975-L979 WeakPolarHBondContact O-CG 3.35Å; W975-L979 PolarHBondContact O-N 3.34Å; Y976-L979 PolarHBondContact O-N 3.1Å |
| 980 | M | 90.3 | Very high | 89.3 | Confident | 25 Ų | 25 | 66.5 Ų | 66.5 | 12% | 0.123 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -89.6 | -23.9 | -178.5 | -65 | -62.7 | 128.2 | 0 | 0 | 114 | V862 L965 Y976 Q977 L978 L983 L991 | V862-M980 HydrophobicContact CG1-CE 4.37Å; V862-M980 HydrophobicContact CG2-CE 4.16Å; L965-M980 HydrophobicContact CD1-CE 3.68Å; L965-M980 HydrophobicContact CD2-CE 3.75Å; L965-M980 HydrophobicContact CG-CE 4.21Å; Y976-M980 HydrophobicContact CD1-CG 4.17Å; Y976-M980 HydrophobicContact CE1-CG 3.75Å; Y976-M980 HydrophobicContact CE2-CE 3.98Å; Y976-M980 HydrophobicContact CE2-CG 4.18Å; Y976-M980 HydrophobicContact CE2-SD 4.5Å; Y976-M980 VanDerWaalsContact O-CG 3.31Å; Y976-M980 WeakPolarHBondContact O-CG 3.38Å; Y976-M980 PolarHBondContact O-N 2.91Å; Y976-M980 VanDerWaalsContact O-N 3.11Å; Q977-M980 PolarHBondContact O-N 3.21Å; L978-M980 VanDerWaalsContact C-N 3.31Å; L978-M980 PolarHBondContact O-N 3.49Å; M980-L983 HydrophobicContact CE-CD1 4.38Å; M980-L983 PolarHBondContact O-N 2.91Å; M980-L983 HydrophobicContact SD-CD1 3.56Å; M980-L983 VanDerWaalsContact SD-CD1 3.56Å; M980-L991 HydrophobicContact CE-CD2 4.19Å; M980-L991 HydrophobicContact SD-CD2 3.81Å |
| 981 | A | 88.9 | Confident | 89.4 | Confident | 73 Ų | 73 | 62.4 Ų | 62.4 | 60% | 0.603 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -39.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q977 | Q977-A981 WeakPolarHBondContact O-CB 3.25Å; Q977-A981 PolarHBondContact O-N 3.08Å |
| 982 | P | 89 | Confident | 89.2 | Confident | 63 Ų | 63 | 63.8 Ų | 63.8 | 41% | 0.409 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -3.5 | -175.4 | 32.1 | -31.7 | 0 | 0 | 0 | 114.2 | G859 L978 S984 | G859-P982 WeakPolarHBondContact O-CG 3.3Å; L978-P982 VanDerWaalsContact O-CD 3.31Å; L978-P982 WeakPolarHBondContact O-CD 3.35Å; P982-S984 PolarHBondContact O-N 2.72Å |
| 983 | L | 90.2 | Very high | 89.2 | Confident | 8 Ų | 8 | 66.5 Ų | 66.5 | 4% | 0.042 | 37% | 0.37 | C | S | . | . | trans | -70.4 | 131.1 | -175.7 | -61.5 | 176.5 | 0 | 0 | 0 | 112 | V862 P863 L866 M980 Q987 R988 L991 | V862-L983 HydrophobicContact CB-CD2 4.14Å; V862-L983 HydrophobicContact CG1-CD1 4.07Å; V862-L983 HydrophobicContact CG1-CD2 3.83Å; P863-L983 HydrophobicContact CG-CD2 3.97Å; L866-L983 HydrophobicContact CD1-CD2 4.16Å; M980-L983 HydrophobicContact CE-CD1 4.38Å; M980-L983 PolarHBondContact O-N 2.91Å; M980-L983 HydrophobicContact SD-CD1 3.56Å; M980-L983 VanDerWaalsContact SD-CD1 3.56Å; L983-Q987 HydrophobicContact CB-CB 4.29Å; L983-Q987 HydrophobicContact CD2-CB 4.14Å; L983-R988 HydrophobicContact CB-CG 4Å; L983-L991 HydrophobicContact CD1-CD2 4.1Å | ||
| 984 | S | 90.7 | Very high | 89.3 | Confident | 52 Ų | 52 | 63.8 Ų | 63.8 | 36% | 0.364 | 35% | 0.347 | S | S | . | . | trans | -69.3 | 165 | 169.2 | 73.4 | 0 | 0 | 0 | 0 | 111.7 | P982 D986 Q987 R988 | P982-S984 PolarHBondContact O-N 2.72Å; S984-D986 VanDerWaalsContact C-N 3.27Å; S984-D986 PolarHBondContact O-N 2.95Å; S984-Q987 VanDerWaalsContact N-OE1 3.12Å; S984-Q987 PolarHBondContact O-N 3.34Å; S984-Q987 WeakPolarHBondContact OG-CG 3.48Å; S984-Q987 PolarHBondContact OG-N 3.21Å; S984-Q987 VanDerWaalsContact OG-N 3.16Å; S984-R988 WeakPolarHBondContact O-CG 3.48Å; S984-R988 PolarHBondContact O-N 3.31Å | ||
| 985 | E | 87.1 | Confident | 89.3 | Confident | 126 Ų | 126 | 63.2 Ų | 63.2 | 59% | 0.589 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -60.2 | -37.3 | 175.1 | -70.9 | -61 | 140.6 | 0 | 0 | 112.2 | R988 T989 | E985-R988 PolarHBondContact O-N 3.49Å; E985-R988 IonicContact OE1-CZ 3.06Å; E985-R988 IonicContact OE1-NH1 3.24Å; E985-R988 PolarHBondContact OE1-NH1 3.39Å; E985-T989 PolarHBondContact O-N 2.96Å; E985-T989 PolarHBondContact O-OG1 3.08Å |
| 986 | D | 86.6 | Confident | 89.2 | Confident | 132 Ų | 132 | 67.4 Ų | 67.4 | 71% | 0.706 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -65.1 | -42.5 | 175.3 | -60.6 | -28.6 | 0 | 0 | 0 | 111.4 | S984 T989 A990 | S984-D986 VanDerWaalsContact C-N 3.27Å; S984-D986 PolarHBondContact O-N 2.95Å; D986-T989 WeakPolarHBondContact O-CB 3.41Å; D986-T989 PolarHBondContact O-N 2.92Å; D986-A990 PolarHBondContact O-N 2.97Å |
| 987 | Q | 89.1 | Confident | 89 | Confident | 55 Ų | 55 | 69 Ų | 69 | 26% | 0.257 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.3 | -35.1 | 176.5 | -75.2 | 174.9 | -26.1 | 0 | 0 | 112.6 | L866 L983 S984 T989 A990 L991 | L866-Q987 HydrophobicContact CD1-CB 3.81Å; L866-Q987 HydrophobicContact CD1-CG 4.24Å; L866-Q987 WeakPolarHBondContact CD1-O 3.21Å; L983-Q987 HydrophobicContact CB-CB 4.29Å; L983-Q987 HydrophobicContact CD2-CB 4.14Å; S984-Q987 VanDerWaalsContact N-OE1 3.12Å; S984-Q987 PolarHBondContact O-N 3.34Å; S984-Q987 WeakPolarHBondContact OG-CG 3.48Å; S984-Q987 PolarHBondContact OG-N 3.21Å; S984-Q987 VanDerWaalsContact OG-N 3.16Å; Q987-T989 VanDerWaalsContact C-N 3.3Å; Q987-A990 PolarHBondContact O-N 2.64Å; Q987-L991 WeakPolarHBondContact O-CB 3.32Å; Q987-L991 PolarHBondContact O-N 3.12Å |
| 988 | R | 89.3 | Confident | 89 | Confident | 109 Ų | 109 | 63 Ų | 63 | 41% | 0.411 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.8 | -37.1 | 172.4 | -71.6 | 176.7 | -174.2 | 169.9 | 0.7 | 111.7 | L983 S984 E985 L991 Q992 | L983-R988 HydrophobicContact CB-CG 4Å; S984-R988 WeakPolarHBondContact O-CG 3.48Å; S984-R988 PolarHBondContact O-N 3.31Å; E985-R988 PolarHBondContact O-N 3.49Å; E985-R988 IonicContact OE1-CZ 3.06Å; E985-R988 IonicContact OE1-NH1 3.24Å; E985-R988 PolarHBondContact OE1-NH1 3.39Å; R988-L991 PolarHBondContact O-N 2.96Å; R988-Q992 PolarHBondContact O-N 2.71Å; R988-Q992 VanDerWaalsContact O-N 3.1Å |
| 989 | T | 89 | Confident | 88.7 | Confident | 72 Ų | 72 | 65 Ų | 65 | 44% | 0.442 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.8 | -48.4 | 174.9 | -53.9 | 0 | 0 | 0 | 0 | 110.6 | E985 D986 Q987 L991 Q992 E993 | E985-T989 PolarHBondContact O-N 2.96Å; E985-T989 PolarHBondContact O-OG1 3.08Å; D986-T989 WeakPolarHBondContact O-CB 3.41Å; D986-T989 PolarHBondContact O-N 2.92Å; Q987-T989 VanDerWaalsContact C-N 3.3Å; T989-L991 VanDerWaalsContact C-N 3.27Å; T989-L991 PolarHBondContact O-N 3.19Å; T989-Q992 WeakPolarHBondContact O-CB 3.4Å; T989-Q992 PolarHBondContact O-N 3.34Å; T989-E993 PolarHBondContact O-N 2.9Å |
| 990 | A | 88.3 | Confident | 88.5 | Confident | 36 Ų | 36 | 70.4 Ų | 70.4 | 30% | 0.298 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -57.8 | -39.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L866 D986 Q987 Q992 E993 V994 | L866-A990 HydrophobicContact CD2-CB 4.44Å; D986-A990 PolarHBondContact O-N 2.97Å; Q987-A990 PolarHBondContact O-N 2.64Å; A990-Q992 PolarHBondContact O-N 3.48Å; A990-E993 WeakPolarHBondContact O-CB 2.87Å; A990-E993 PolarHBondContact O-N 3.1Å; A990-V994 WeakPolarHBondContact O-CG2 3.3Å; A990-V994 PolarHBondContact O-N 3.03Å |
| 991 | L | 91.2 | Very high | 88.2 | Confident | 12 Ų | 12 | 72.6 Ų | 72.6 | 6% | 0.063 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.9 | -40.5 | 175.1 | -177.3 | 62.2 | 0 | 0 | 0 | 112 | L866 F961 L965 M980 L983 Q987 R988 T989 V994 Y995 | L866-L991 HydrophobicContact CD1-CB 4.34Å; L866-L991 HydrophobicContact CD2-CB 4.07Å; L866-L991 HydrophobicContact CD2-CD1 4.14Å; F961-L991 HydrophobicContact CE1-CD1 3.66Å; F961-L991 HydrophobicContact CZ-CD1 3.94Å; L965-L991 HydrophobicContact CD2-CD1 4.03Å; L965-L991 HydrophobicContact CD2-CD2 4.42Å; M980-L991 HydrophobicContact CE-CD2 4.19Å; M980-L991 HydrophobicContact SD-CD2 3.81Å; L983-L991 HydrophobicContact CD1-CD2 4.1Å; Q987-L991 WeakPolarHBondContact O-CB 3.32Å; Q987-L991 PolarHBondContact O-N 3.12Å; R988-L991 PolarHBondContact O-N 2.96Å; T989-L991 VanDerWaalsContact C-N 3.27Å; T989-L991 PolarHBondContact O-N 3.19Å; L991-V994 PolarHBondContact O-N 3.49Å; L991-Y995 HydrophobicContact CD1-CD2 4.34Å; L991-Y995 HydrophobicContact CD1-CE2 3.99Å; L991-Y995 HydrophobicContact CD2-CE2 4.34Å; L991-Y995 HydrophobicContact CG-CD2 4.11Å; L991-Y995 HydrophobicContact CG-CE2 3.85Å; L991-Y995 WeakPolarHBondContact O-CD2 3.25Å; L991-Y995 PolarHBondContact O-N 3.3Å |
| 992 | Q | 88.8 | Confident | 87.8 | Confident | 137 Ų | 137 | 75.3 Ų | 75.3 | 64% | 0.64 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -64 | -39.9 | 173.1 | -72.9 | -172.2 | 0.4 | 0 | 0 | 112 | R988 T989 A990 V994 Y995 T996 | R988-Q992 PolarHBondContact O-N 2.71Å; R988-Q992 VanDerWaalsContact O-N 3.1Å; T989-Q992 WeakPolarHBondContact O-CB 3.4Å; T989-Q992 PolarHBondContact O-N 3.34Å; A990-Q992 PolarHBondContact O-N 3.48Å; Q992-V994 VanDerWaalsContact C-N 3.34Å; Q992-V994 PolarHBondContact O-N 3.36Å; Q992-Y995 PolarHBondContact O-N 3.19Å; Q992-T996 WeakPolarHBondContact O-CG2 3.48Å; Q992-T996 PolarHBondContact O-N 3.48Å; Q992-T996 PolarHBondContact O-OG1 2.95Å |
| 993 | E | 88.9 | Confident | 87.5 | Confident | 101 Ų | 101 | 75.8 Ų | 75.8 | 47% | 0.472 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.6 | -44.8 | 173.5 | -68.3 | -176 | -169.4 | 0 | 0 | 111.3 | K873 T989 A990 Y995 T996 L997 | K873-E993 IonicContact NZ-OE2 3.04Å; T989-E993 PolarHBondContact O-N 2.9Å; A990-E993 WeakPolarHBondContact O-CB 2.87Å; A990-E993 PolarHBondContact O-N 3.1Å; E993-Y995 PolarHBondContact O-N 3.49Å; E993-T996 WeakPolarHBondContact CA-OG1 3.34Å; E993-T996 PolarHBondContact O-N 3.07Å; E993-T996 PolarHBondContact O-OG1 3.16Å; E993-L997 WeakPolarHBondContact O-CB 3.39Å; E993-L997 PolarHBondContact O-N 2.91Å |
| 994 | V | 90.8 | Very high | 87 | Confident | 8 Ų | 8 | 79.1 Ų | 79.1 | 5% | 0.048 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -58.1 | -46 | 175.3 | 168.9 | 0 | 0 | 0 | 0 | 111.4 | L866 F869 Y958 F961 A990 L991 Q992 L997 A998 | L866-V994 HydrophobicContact CD2-CG2 4.18Å; F869-V994 HydrophobicContact CB-CG2 4.28Å; F869-V994 HydrophobicContact CD2-CG1 4.18Å; F869-V994 HydrophobicContact CD2-CG2 3.74Å; F869-V994 HydrophobicContact CE2-CG1 3.79Å; F869-V994 HydrophobicContact CE2-CG2 4.21Å; F869-V994 HydrophobicContact CG-CG2 4.03Å; F869-V994 HydrophobicContact CZ-CG1 4.14Å; Y958-V994 HydrophobicContact CD1-CB 4.47Å; Y958-V994 HydrophobicContact CD1-CG1 4.01Å; Y958-V994 HydrophobicContact CD1-CG2 4.42Å; Y958-V994 HydrophobicContact CE1-CG2 4.29Å; F961-V994 HydrophobicContact CD1-CG1 3.85Å; F961-V994 HydrophobicContact CE1-CG1 4.07Å; A990-V994 WeakPolarHBondContact O-CG2 3.3Å; A990-V994 PolarHBondContact O-N 3.03Å; L991-V994 PolarHBondContact O-N 3.49Å; Q992-V994 VanDerWaalsContact C-N 3.34Å; Q992-V994 PolarHBondContact O-N 3.36Å; V994-L997 PolarHBondContact O-N 3Å; V994-A998 VanDerWaalsContact O-CB 3.31Å; V994-A998 WeakPolarHBondContact O-CB 3.17Å; V994-A998 PolarHBondContact O-N 2.95Å |
| 995 | Y | 88.4 | Confident | 86.2 | Confident | 58 Ų | 58 | 79 Ų | 79 | 23% | 0.227 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.1 | -48.1 | 176.1 | -86.6 | -70.9 | 0 | 0 | 0 | 112.4 | T962 L965 I966 L991 Q992 E993 L997 A998 E999 | T962-Y995 HydrophobicContact CG2-CD1 3.48Å; T962-Y995 VanDerWaalsContact CG2-CD1 3.48Å; T962-Y995 HydrophobicContact CG2-CE1 3.57Å; L965-Y995 HydrophobicContact CD2-CE2 4.35Å; L965-Y995 VanDerWaalsContact CD2-OH 3.26Å; L965-Y995 WeakPolarHBondContact CD2-OH 3.36Å; I966-Y995 HydrophobicContact CD1-CE1 4.2Å; I966-Y995 HydrophobicContact CG1-CE1 4.15Å; L991-Y995 HydrophobicContact CD1-CD2 4.34Å; L991-Y995 HydrophobicContact CD1-CE2 3.99Å; L991-Y995 HydrophobicContact CD2-CE2 4.34Å; L991-Y995 HydrophobicContact CG-CD2 4.11Å; L991-Y995 HydrophobicContact CG-CE2 3.85Å; L991-Y995 WeakPolarHBondContact O-CD2 3.25Å; L991-Y995 PolarHBondContact O-N 3.3Å; Q992-Y995 PolarHBondContact O-N 3.19Å; E993-Y995 PolarHBondContact O-N 3.49Å; Y995-L997 PolarHBondContact O-N 2.97Å; Y995-A998 PolarHBondContact O-N 2.91Å; Y995-E999 PolarHBondContact O-N 3.41Å |
| 996 | T | 87.8 | Confident | 85.7 | Confident | 92 Ų | 92 | 77.1 Ų | 77.1 | 56% | 0.564 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -64.5 | -39.6 | -179.7 | 54.7 | 0 | 0 | 0 | 0 | 112.3 | Q992 E993 H1000 | Q992-T996 WeakPolarHBondContact O-CG2 3.48Å; Q992-T996 PolarHBondContact O-N 3.48Å; Q992-T996 PolarHBondContact O-OG1 2.95Å; E993-T996 WeakPolarHBondContact CA-OG1 3.34Å; E993-T996 PolarHBondContact O-N 3.07Å; E993-T996 PolarHBondContact O-OG1 3.16Å; T996-H1000 WeakPolarHBondContact O-CB 3.43Å; T996-H1000 PolarHBondContact O-N 2.88Å |
| 997 | L | 86.6 | Confident | 85.2 | Confident | 65 Ų | 65 | 73 Ų | 73 | 34% | 0.34 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.9 | -41.7 | 176.2 | -169 | 65.7 | 0 | 0 | 0 | 111.6 | Y958 E993 V994 Y995 E999 H1000 R1001 | Y958-L997 HydrophobicContact CD1-CB 4.39Å; Y958-L997 HydrophobicContact CD1-CD2 3.85Å; Y958-L997 HydrophobicContact CD1-CG 4.42Å; Y958-L997 HydrophobicContact CE1-CD2 3.54Å; Y958-L997 HydrophobicContact CE2-CD2 4.32Å; Y958-L997 HydrophobicContact CG-CD2 4.38Å; E993-L997 WeakPolarHBondContact O-CB 3.39Å; E993-L997 PolarHBondContact O-N 2.91Å; V994-L997 PolarHBondContact O-N 3Å; Y995-L997 PolarHBondContact O-N 2.97Å; L997-E999 PolarHBondContact O-N 2.97Å; L997-H1000 PolarHBondContact O-N 2.89Å; L997-R1001 WeakPolarHBondContact O-CG 3.48Å; L997-R1001 PolarHBondContact O-N 3.02Å |
| 998 | A | 88.1 | Confident | 84.3 | Confident | 3 Ų | 3 | 75.5 Ų | 75.5 | 3% | 0.025 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.4 | -45.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | T962 V994 Y995 R1002 | T962-A998 HydrophobicContact CG2-CB 4.26Å; T962-A998 WeakPolarHBondContact OG1-CB 3.5Å; V994-A998 VanDerWaalsContact O-CB 3.31Å; V994-A998 WeakPolarHBondContact O-CB 3.17Å; V994-A998 PolarHBondContact O-N 2.95Å; Y995-A998 PolarHBondContact O-N 2.91Å; A998-R1002 WeakPolarHBondContact O-CB 3.39Å; A998-R1002 PolarHBondContact O-N 2.96Å |
| 999 | E | 84.9 | Confident | 83.4 | Confident | 137 Ų | 137 | 76.7 Ų | 76.7 | 64% | 0.64 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -64.3 | -43.3 | 176.9 | -172.1 | 170.9 | -163.5 | 0 | 0 | 111.5 | Y995 L997 R1002 T1003 | Y995-E999 PolarHBondContact O-N 3.41Å; L997-E999 PolarHBondContact O-N 2.97Å; E999-R1002 WeakPolarHBondContact O-CB 3.39Å; E999-R1002 PolarHBondContact O-N 3.39Å; E999-T1003 WeakPolarHBondContact O-CG2 3.29Å; E999-T1003 PolarHBondContact O-N 3.48Å |
| 1000 | H | 84.4 | Confident | 82.5 | Confident | 114 Ų | 114 | 79.4 Ų | 79.4 | 53% | 0.528 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.8 | -52.6 | 175.6 | -176 | 61.7 | 0 | 0 | 0 | 111.9 | T996 L997 R1002 T1003 V1004 | T996-H1000 WeakPolarHBondContact O-CB 3.43Å; T996-H1000 PolarHBondContact O-N 2.88Å; L997-H1000 PolarHBondContact O-N 2.89Å; H1000-R1002 VanDerWaalsContact C-N 3.26Å; H1000-R1002 PolarHBondContact O-N 2.87Å; H1000-T1003 PolarHBondContact O-N 3.34Å; H1000-T1003 VanDerWaalsContact O-N 3.11Å; H1000-T1003 PolarHBondContact O-OG1 2.97Å; H1000-V1004 WeakPolarHBondContact O-CG2 3.3Å; H1000-V1004 PolarHBondContact O-N 2.84Å |
| 1001 | R | 83.3 | Confident | 81.4 | Confident | 72 Ų | 72 | 82.6 Ų | 82.6 | 27% | 0.272 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -58.2 | -38.4 | 178.3 | -71 | -170 | -177.3 | -171.4 | 1.3 | 112 | D956 E957 L997 V1004 A1005 | D956-R1001 WeakPolarHBondContact OD2-CD 3.38Å; D956-R1001 IonicContact OD2-CZ 3.64Å; D956-R1001 IonicContact OD2-NE 3.5Å; D956-R1001 IonicContact OD2-NH1 2.82Å; D956-R1001 PolarHBondContact OD2-NH1 3.12Å; E957-R1001 IonicContact OE1-CZ 2.69Å; E957-R1001 IonicContact OE1-NH1 2.73Å; E957-R1001 PolarHBondContact OE1-NH1 3.01Å; L997-R1001 WeakPolarHBondContact O-CG 3.48Å; L997-R1001 PolarHBondContact O-N 3.02Å; R1001-V1004 PolarHBondContact O-N 3.02Å; R1001-A1005 WeakPolarHBondContact O-CB 3.28Å; R1001-A1005 PolarHBondContact O-N 2.7Å |
| 1002 | R | 81.6 | Confident | 80 | Confident | 130 Ų | 130 | 87.8 Ų | 87.8 | 49% | 0.491 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.5 | -47.9 | 174.8 | -178.4 | -178.6 | 171.6 | 164.9 | 1.9 | 112 | Q959 A998 E999 H1000 V1004 A1005 E1006 | Q959-R1002 HydrophobicContact CG-CB 4.39Å; A998-R1002 WeakPolarHBondContact O-CB 3.39Å; A998-R1002 PolarHBondContact O-N 2.96Å; E999-R1002 WeakPolarHBondContact O-CB 3.39Å; E999-R1002 PolarHBondContact O-N 3.39Å; H1000-R1002 VanDerWaalsContact C-N 3.26Å; H1000-R1002 PolarHBondContact O-N 2.87Å; R1002-V1004 VanDerWaalsContact C-N 3.3Å; R1002-V1004 PolarHBondContact O-N 3.28Å; R1002-A1005 PolarHBondContact O-N 3.01Å; R1002-E1006 IonicContact CZ-OE1 3.32Å; R1002-E1006 IonicContact NE-OE1 3.47Å; R1002-E1006 PolarHBondContact NE-OE1 3.35Å; R1002-E1006 IonicContact NH2-OE1 3.78Å; R1002-E1006 WeakPolarHBondContact O-CB 3.41Å; R1002-E1006 WeakPolarHBondContact O-CG 3.46Å; R1002-E1006 PolarHBondContact O-N 3.35Å |
| 1003 | T | 81.8 | Confident | 78.8 | Confident | 73 Ų | 73 | 88.1 Ų | 88.1 | 45% | 0.448 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.5 | -37.1 | 178.3 | 59.1 | 0 | 0 | 0 | 0 | 112.7 | E999 H1000 A1007 | E999-T1003 WeakPolarHBondContact O-CG2 3.29Å; E999-T1003 PolarHBondContact O-N 3.48Å; H1000-T1003 PolarHBondContact O-N 3.34Å; H1000-T1003 VanDerWaalsContact O-N 3.11Å; H1000-T1003 PolarHBondContact O-OG1 2.97Å; T1003-A1007 WeakPolarHBondContact O-CB 3.39Å; T1003-A1007 PolarHBondContact O-N 3.48Å |
| 1004 | V | 79.4 | Confident | 77.3 | Confident | 78 Ų | 78 | 91.3 Ų | 91.3 | 47% | 0.473 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.2 | -45.4 | 175.5 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | H1000 R1001 R1002 E1006 A1007 K1008 | H1000-V1004 WeakPolarHBondContact O-CG2 3.3Å; H1000-V1004 PolarHBondContact O-N 2.84Å; R1001-V1004 PolarHBondContact O-N 3.02Å; R1002-V1004 VanDerWaalsContact C-N 3.3Å; R1002-V1004 PolarHBondContact O-N 3.28Å; V1004-E1006 PolarHBondContact O-N 3.03Å; V1004-A1007 PolarHBondContact O-N 3.05Å; V1004-K1008 PolarHBondContact O-N 3.06Å |
| 1005 | A | 74 | Confident | 75.4 | Confident | 50 Ų | 50 | 94.5 Ų | 94.5 | 41% | 0.413 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63 | -42.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R1001 R1002 A1007 K1008 K1009 | R1001-A1005 WeakPolarHBondContact O-CB 3.28Å; R1001-A1005 PolarHBondContact O-N 2.7Å; R1002-A1005 PolarHBondContact O-N 3.01Å; A1005-A1007 VanDerWaalsContact C-N 3.32Å; A1005-A1007 PolarHBondContact O-N 2.66Å; A1005-K1008 PolarHBondContact O-N 3.4Å; A1005-K1009 WeakPolarHBondContact O-CB 3.34Å; A1005-K1009 PolarHBondContact O-N 2.7Å |
| 1006 | E | 77.9 | Confident | 73.4 | Confident | 85 Ų | 85 | 94.1 Ų | 94.1 | 40% | 0.397 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.4 | -35.3 | 175.2 | -73.1 | 179.7 | -169 | 0 | 0 | 112.3 | R1002 V1004 K1010 | R1002-E1006 IonicContact CZ-OE1 3.32Å; R1002-E1006 IonicContact NE-OE1 3.47Å; R1002-E1006 PolarHBondContact NE-OE1 3.35Å; R1002-E1006 IonicContact NH2-OE1 3.78Å; R1002-E1006 WeakPolarHBondContact O-CB 3.41Å; R1002-E1006 WeakPolarHBondContact O-CG 3.46Å; R1002-E1006 PolarHBondContact O-N 3.35Å; V1004-E1006 PolarHBondContact O-N 3.03Å; E1006-K1010 WeakPolarHBondContact O-CG 3.34Å; E1006-K1010 PolarHBondContact O-N 3.18Å; E1006-K1010 VanDerWaalsContact O-N 3.16Å |
| 1007 | A | 74.6 | Confident | 71.2 | Confident | 47 Ų | 47 | 99 Ų | 99 | 39% | 0.388 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.8 | -45.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | T1003 V1004 A1005 K1009 K1010 I1011 | T1003-A1007 WeakPolarHBondContact O-CB 3.39Å; T1003-A1007 PolarHBondContact O-N 3.48Å; V1004-A1007 PolarHBondContact O-N 3.05Å; A1005-A1007 VanDerWaalsContact C-N 3.32Å; A1005-A1007 PolarHBondContact O-N 2.66Å; A1007-K1009 VanDerWaalsContact C-N 3.35Å; A1007-K1009 PolarHBondContact O-N 3.48Å; A1007-K1010 PolarHBondContact O-N 3.37Å; A1007-I1011 VanDerWaalsContact O-CG1 3.31Å; A1007-I1011 WeakPolarHBondContact O-CG1 3.45Å; A1007-I1011 PolarHBondContact O-N 3.01Å |
| 1008 | K | 70.6 | Confident | 68.8 | Low | 107 Ų | 107 | 102.6 Ų | 102.6 | 47% | 0.465 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -57.5 | -47 | 175.7 | -171.9 | -179.4 | 176.9 | -173.4 | 0 | 111.2 | V1004 A1005 K1010 I1011 E1012 | V1004-K1008 PolarHBondContact O-N 3.06Å; A1005-K1008 PolarHBondContact O-N 3.4Å; K1008-K1010 VanDerWaalsContact C-N 3.34Å; K1008-K1010 PolarHBondContact O-N 3.09Å; K1008-I1011 PolarHBondContact O-N 3.27Å; K1008-I1011 VanDerWaalsContact O-N 3.12Å; K1008-E1012 WeakPolarHBondContact CE-OE1 3.32Å; K1008-E1012 PolarHBondContact O-N 3.4Å |
| 1009 | K | 70.9 | Confident | 66.3 | Low | 133 Ų | 133 | 111.9 Ų | 111.9 | 58% | 0.578 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.9 | -36 | 178.1 | -163.2 | 173.3 | -172.8 | 171.5 | 0 | 113.1 | A1005 A1007 Q1013 | A1005-K1009 WeakPolarHBondContact O-CB 3.34Å; A1005-K1009 PolarHBondContact O-N 2.7Å; A1007-K1009 VanDerWaalsContact C-N 3.35Å; A1007-K1009 PolarHBondContact O-N 3.48Å; K1009-Q1013 WeakPolarHBondContact O-CB 3.25Å; K1009-Q1013 VanDerWaalsContact O-CG 3.22Å; K1009-Q1013 WeakPolarHBondContact O-CG 3.14Å; K1009-Q1013 PolarHBondContact O-N 3.26Å; K1009-Q1013 VanDerWaalsContact O-N 3.14Å |
| 1010 | K | 70.3 | Confident | 63.8 | Low | 129 Ų | 129 | 113.7 Ų | 113.7 | 56% | 0.561 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -69.4 | -34.6 | 174.3 | -79.9 | 174.4 | -179.1 | 167.5 | 0 | 112.6 | E1006 A1007 K1008 Q1014 | E1006-K1010 WeakPolarHBondContact O-CG 3.34Å; E1006-K1010 PolarHBondContact O-N 3.18Å; E1006-K1010 VanDerWaalsContact O-N 3.16Å; A1007-K1010 PolarHBondContact O-N 3.37Å; K1008-K1010 VanDerWaalsContact C-N 3.34Å; K1008-K1010 PolarHBondContact O-N 3.09Å; K1010-Q1014 WeakPolarHBondContact O-CG 3.42Å; K1010-Q1014 PolarHBondContact O-N 2.79Å |
| 1011 | I | 64.9 | Low | 61.4 | Low | 104 Ų | 104 | 115.9 Ų | 115.9 | 53% | 0.533 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -70.9 | -44 | 177.3 | -68.1 | 165 | 0 | 0 | 0 | 110.6 | A1007 K1008 Q1013 Q1014 | A1007-I1011 VanDerWaalsContact O-CG1 3.31Å; A1007-I1011 WeakPolarHBondContact O-CG1 3.45Å; A1007-I1011 PolarHBondContact O-N 3.01Å; K1008-I1011 PolarHBondContact O-N 3.27Å; K1008-I1011 VanDerWaalsContact O-N 3.12Å; I1011-Q1013 VanDerWaalsContact C-N 3.34Å; I1011-Q1013 PolarHBondContact O-N 3.1Å; I1011-Q1014 PolarHBondContact O-N 3.13Å |
| 1012 | E | 62.4 | Low | 58.8 | Low | 120 Ų | 120 | 121.7 Ų | 121.7 | 56% | 0.561 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -61.5 | -39.5 | 175.2 | -73 | 170.9 | -178.6 | 0 | 0 | 112.1 | K1008 Q1014 G1015 | K1008-E1012 WeakPolarHBondContact CE-OE1 3.32Å; K1008-E1012 PolarHBondContact O-N 3.4Å; E1012-Q1014 VanDerWaalsContact C-N 3.27Å; E1012-Q1014 PolarHBondContact O-N 2.83Å; E1012-G1015 PolarHBondContact O-N 2.94Å |
| 1013 | Q | 62.2 | Low | 56.5 | Low | 145 Ų | 145 | 118.6 Ų | 118.6 | 68% | 0.678 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -71.1 | -16.3 | 177.4 | -74.1 | 176.8 | 1.3 | 0 | 0 | 114.5 | K1009 I1011 | K1009-Q1013 WeakPolarHBondContact O-CB 3.25Å; K1009-Q1013 VanDerWaalsContact O-CG 3.22Å; K1009-Q1013 WeakPolarHBondContact O-CG 3.14Å; K1009-Q1013 PolarHBondContact O-N 3.26Å; K1009-Q1013 VanDerWaalsContact O-N 3.14Å; I1011-Q1013 VanDerWaalsContact C-N 3.34Å; I1011-Q1013 PolarHBondContact O-N 3.1Å |
| 1014 | Q | 57.3 | Low | 54 | Low | 168 Ų | 168 | 122 Ų | 122 | 79% | 0.785 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | 8.6 | 178.7 | -72.7 | -179.3 | 6 | 0 | 0 | 113.7 | K1010 I1011 E1012 | K1010-Q1014 WeakPolarHBondContact O-CG 3.42Å; K1010-Q1014 PolarHBondContact O-N 2.79Å; I1011-Q1014 PolarHBondContact O-N 3.13Å; E1012-Q1014 VanDerWaalsContact C-N 3.27Å; E1012-Q1014 PolarHBondContact O-N 2.83Å |
| 1015 | G | 52 | Low | 51.5 | Low | 74 Ų | 74 | 125.9 Ų | 125.9 | 76% | 0.763 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.2 | 36.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | E1012 | E1012-G1015 PolarHBondContact O-N 2.94Š|
| 1016 | G | 45.3 | Very low | 49.7 | Very low | 50 Ų | 50 | 128.2 Ų | 128.2 | 52% | 0.515 | 69% | 0.686 | S | S | . | * | trans | -94.2 | 141.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1017 | F | 43.1 | Very low | 47.6 | Very low | 195 Ų | 195 | 128 Ų | 128 | 86% | 0.855 | 70% | 0.699 | S | S | * | * | trans | -42.6 | 142.4 | 173.3 | -82 | -102.9 | 0 | 0 | 0 | 115.3 | F1019 | F1017-F1019 PolarHBondContact O-N 3.1Š| ||
| 1018 | T | 36 | Very low | 45.2 | Very low | 141 Ų | 141 | 135 Ų | 135 | 87% | 0.865 | 72% | 0.721 | S | S | * | * | trans | -64 | 115.4 | 165.7 | 40.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1019 | F | 34.9 | Very low | 43.1 | Very low | 197 Ų | 197 | 137.2 Ų | 137.2 | 86% | 0.864 | 74% | 0.738 | S | S | * | * | trans | -82.1 | 122.7 | 159.8 | -88.6 | -90.7 | 0 | 0 | 0 | 108.4 | F1017 N1021 | F1017-F1019 PolarHBondContact O-N 3.1Å; F1019-N1021 PolarHBondContact O-N 3.33Å | ||
| 1020 | E | 32.7 | Very low | 41.2 | Very low | 175 Ų | 175 | 140 Ų | 140 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | -57.2 | 132.6 | 161.4 | -75.5 | 179.2 | 168.3 | 0 | 0 | 109.1 | K1022 | E1020-K1022 VanDerWaalsContact C-N 3.31Å; E1020-K1022 PolarHBondContact O-N 2.9Å | ||
| 1021 | N | 34 | Very low | 39.2 | Very low | 161 Ų | 161 | 136.7 Ų | 136.7 | 86% | 0.861 | 75% | 0.753 | S | S | * | * | trans | -66.4 | 82.6 | -175.5 | -132.1 | -2.6 | 0 | 0 | 0 | 110.5 | F1019 | F1019-N1021 PolarHBondContact O-N 3.33Š| ||
| 1022 | K | 29.7 | Very low | 37.3 | Very low | 194 Ų | 194 | 138.5 Ų | 138.5 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | trans | -88.7 | 101.5 | 161.7 | -81.1 | -170.6 | 178.5 | 179.3 | 0 | 108.7 | E1020 | E1020-K1022 VanDerWaalsContact C-N 3.31Å; E1020-K1022 PolarHBondContact O-N 2.9Å | ||
| 1023 | G | 31.9 | Very low | 35.8 | Very low | 65 Ų | 65 | 139 Ų | 139 | 67% | 0.67 | 78% | 0.78 | S | S | * | * | trans | 43.2 | 101.3 | 153.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | L1025 | G1023-L1025 PolarHBondContact O-N 2.84Å; G1023-L1025 VanDerWaalsContact O-N 3.15Å | ||
| 1024 | V | 29.2 | Very low | 34.3 | Very low | 144 Ų | 144 | 137.5 Ų | 137.5 | 87% | 0.873 | 78% | 0.783 | S | S | * | * | trans | -51.5 | 124.6 | 163.8 | 177.1 | 0 | 0 | 0 | 0 | 108.8 | S1026 | V1024-S1026 PolarHBondContact O-N 2.63Š| ||
| 1025 | L | 28.2 | Very low | 33.1 | Very low | 159 Ų | 159 | 134.6 Ų | 134.6 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -52.6 | 127.5 | -170.5 | -78.4 | 148.2 | 0 | 0 | 0 | 113.1 | G1023 A1027 | G1023-L1025 PolarHBondContact O-N 2.84Å; G1023-L1025 VanDerWaalsContact O-N 3.15Å; L1025-A1027 PolarHBondContact O-N 2.87Å | ||
| 1026 | S | 35.8 | Very low | 31.9 | Very low | 99 Ų | 99 | 138.4 Ų | 138.4 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | trans | -56.2 | 108.9 | 157.8 | 54.8 | 0 | 0 | 0 | 0 | 111 | V1024 | V1024-S1026 PolarHBondContact O-N 2.63Š| ||
| 1027 | A | 32.8 | Very low | 31.2 | Very low | 82 Ų | 82 | 147.4 Ų | 147.4 | 68% | 0.678 | 82% | 0.82 | S | S | * | * | trans | -174.3 | 93.1 | 149.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | L1025 | L1025-A1027 PolarHBondContact O-N 2.87Š| ||
| 1028 | F | 25.6 | Very low | 30.6 | Very low | 192 Ų | 192 | 145 Ų | 145 | 84% | 0.842 | 82% | 0.818 | S | S | * | * | trans | -158.9 | 104.1 | 138.3 | -102.3 | -74.4 | 0 | 0 | 0 | 108.4 | F1030 | F1028-F1030 HydrophobicContact CB-CE2 4.49Å; F1028-F1030 AromaticContact CD1-CE2 3.96Å; F1028-F1030 HydrophobicContact CD1-CE2 3.96Å; F1028-F1030 HydrophobicContact CD1-CZ 4.41Å | ||
| 1029 | N | 25.7 | Very low | 30.3 | Very low | 155 Ų | 155 | 145.2 Ų | 145.2 | 83% | 0.829 | 82% | 0.816 | S | S | * | * | trans | -95.4 | 110.9 | 178.3 | -169.6 | 3.4 | 0 | 0 | 0 | 107.7 | ||||
| 1030 | F | 31.9 | Very low | 30 | Very low | 190 Ų | 190 | 142.3 Ų | 142.3 | 83% | 0.833 | 81% | 0.813 | S | S | * | * | trans | -107.8 | 106.5 | 169.5 | -80.5 | -82.2 | 0 | 0 | 0 | 108.6 | F1028 | F1028-F1030 HydrophobicContact CB-CE2 4.49Å; F1028-F1030 AromaticContact CD1-CE2 3.96Å; F1028-F1030 HydrophobicContact CD1-CE2 3.96Å; F1028-F1030 HydrophobicContact CD1-CZ 4.41Å | ||
| 1031 | G | 26.8 | Very low | 29.9 | Very low | 60 Ų | 60 | 140.4 Ų | 140.4 | 62% | 0.619 | 81% | 0.813 | S | S | * | * | trans | 141.9 | 67.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | V1033 | G1031-V1033 PolarHBondContact O-N 3.46Š| ||
| 1032 | T | 26.8 | Very low | 29.6 | Very low | 142 Ų | 142 | 139.1 Ų | 139.1 | 87% | 0.871 | 81% | 0.81 | S | S | * | * | trans | -66.7 | 106.8 | 156.8 | 43.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1033 | V | 29.1 | Very low | 29.6 | Very low | 132 Ų | 132 | 135.5 Ų | 135.5 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 122.6 | 162.6 | -175.6 | 0 | 0 | 0 | 0 | 107.4 | G1031 S1035 | G1031-V1033 PolarHBondContact O-N 3.46Å; V1033-S1035 PolarHBondContact O-N 2.98Å |
| 1034 | P | 31.7 | Very low | 29.4 | Very low | 113 Ų | 113 | 140.5 Ų | 140.5 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -72 | 120.6 | 170.4 | 0.6 | 14.6 | 0 | 0 | 0 | 108.4 | N1036 | P1034-N1036 PolarHBondContact O-N 3.44Š|
| 1035 | S | 31.9 | Very low | 29.4 | Very low | 107 Ų | 107 | 140.2 Ų | 140.2 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 125.4 | 161.2 | 51.8 | 0 | 0 | 0 | 0 | 110.4 | V1033 | V1033-S1035 PolarHBondContact O-N 2.98Š|
| 1036 | N | 26.2 | Very low | 29.5 | Very low | 153 Ų | 153 | 138.7 Ų | 138.7 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -163.1 | 117.1 | 150.3 | -97.7 | -18.4 | 0 | 0 | 0 | 111 | P1034 | P1034-N1036 PolarHBondContact O-N 3.44Š| ||
| 1037 | N | 30.3 | Very low | 29 | Very low | 239 Ų | 239 | 142.3 Ų | 142.3 | 100% | 1.278 | 82% | 0.823 | S | S | * | * | trans | 54.3 | 0 | 160.6 | -68.7 | -12.4 | 0 | 0 | 0 | 120.2 |
Retrieved 1,037 of 1,037 residues in 206 ms
(Link to these results)