| 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 | 31.6 | Very low | 62 | Low | 242 Ų | 242 | 128.5 Ų | 128.5 | 100% | 1.192 | 65% | 0.651 | S | S | * | * | 0 | 93.9 | 0 | -157.9 | 172.9 | -167.2 | 0 | 0 | 107.7 | L3 | M1-L3 PolarHBondContact O-N 3.3Š| |||
| 2 | R | 37.3 | Very low | 64.2 | Low | 237 Ų | 237 | 118.3 Ų | 118.3 | 89% | 0.894 | 60% | 0.599 | S | S | * | * | trans | -78.3 | 105.1 | -179.9 | -74.4 | -176 | -178.2 | 179.6 | 1.9 | 107.7 | K4 | R2-K4 PolarHBondContact O-N 2.99Š| ||
| 3 | L | 37.8 | Very low | 65.9 | Low | 150 Ų | 150 | 117 Ų | 117 | 79% | 0.785 | 60% | 0.595 | S | S | * | * | trans | -56 | 100.7 | 171.4 | -99.4 | 130.2 | 0 | 0 | 0 | 108.7 | M1 L5 | M1-L3 PolarHBondContact O-N 3.3Å; L3-L5 HydrophobicContact CB-CD1 4.24Å; L3-L5 HydrophobicContact CD2-CD1 3.89Å; L3-L5 HydrophobicContact CD2-CG 4.38Å; L3-L5 PolarHBondContact O-N 3.28Å | ||
| 4 | K | 48.8 | Very low | 67.3 | Low | 193 Ų | 193 | 119.3 Ų | 119.3 | 84% | 0.839 | 61% | 0.609 | S | S | * | * | trans | -77.1 | 75.3 | 168.8 | -76.8 | -174.9 | 178.3 | 178.6 | 0 | 107.9 | R2 K6 | R2-K4 PolarHBondContact O-N 2.99Å; K4-K6 PolarHBondContact O-N 2.9Å | ||
| 5 | L | 57.4 | Low | 68.8 | Low | 111 Ų | 111 | 116.3 Ų | 116.3 | 58% | 0.581 | 59% | 0.587 | S | S | * | * | trans | -71.2 | 59.9 | 164.6 | -93.9 | 139.9 | 0 | 0 | 0 | 109 | L3 Y508 | L3-L5 HydrophobicContact CB-CD1 4.24Å; L3-L5 HydrophobicContact CD2-CD1 3.89Å; L3-L5 HydrophobicContact CD2-CG 4.38Å; L3-L5 PolarHBondContact O-N 3.28Å; L5-Y508 HydrophobicContact CB-CD1 3.94Å; L5-Y508 HydrophobicContact CB-CE1 3.96Å; L5-Y508 HydrophobicContact CD2-CD1 4.31Å; L5-Y508 HydrophobicContact CD2-CE1 4.05Å; L5-Y508 HydrophobicContact CG-CE1 4.44Å; L5-Y508 WeakPolarHBondContact O-CD1 3.15Å | ||
| 6 | K | 65.9 | Low | 70.2 | Confident | 102 Ų | 102 | 109.8 Ų | 109.8 | 44% | 0.443 | 55% | 0.554 | S | S | . | * | trans | -125.6 | 123.2 | 179.5 | -175.4 | 172.1 | -177.3 | 169.2 | 0 | 109.9 | K4 Y510 | K4-K6 PolarHBondContact O-N 2.9Å; K6-Y510 PolarHBondContact NZ-O 3.3Å | ||
| 7 | L | 75.9 | Confident | 71.4 | Confident | 105 Ų | 105 | 104.6 Ų | 104.6 | 55% | 0.55 | 53% | 0.53 | S | S | . | . | trans | -72 | 133.3 | 171.5 | -78.6 | 156.6 | 0 | 0 | 0 | 109.7 | N9 Y508 I509 | L7-N9 PolarHBondContact O-N 3.2Å; L7-Y508 PolarHBondContact N-O 3.27Å; L7-I509 HydrophobicContact CD1-CD1 4.5Å; L7-I509 HydrophobicContact CD1-CG1 3.87Å | ||
| 8 | P | 76.8 | Confident | 72.5 | Confident | 122 Ų | 122 | 101.9 Ų | 101.9 | 79% | 0.792 | 52% | 0.523 | S | S | * | . | trans | -66.7 | 121.4 | 176.2 | 26 | -31.7 | 0 | 0 | 0 | 110 | ||||
| 9 | N | 83.8 | Confident | 73.5 | Confident | 25 Ų | 25 | 100 Ų | 100 | 13% | 0.134 | 51% | 0.511 | C | S | . | . | trans | -123 | 85.2 | -177.9 | -173.6 | 8 | 0 | 0 | 0 | 110.4 | L7 R15 I108 | L7-N9 PolarHBondContact O-N 3.2Å; N9-R15 PolarHBondContact OD1-NH2 3.46Å; N9-I108 PolarHBondContact ND2-O 3.37Å | ||
| 10 | P | 83.2 | Confident | 74.3 | Confident | 95 Ų | 95 | 96.8 Ų | 96.8 | 62% | 0.617 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | 146.2 | -175.3 | 28.1 | -34 | 0 | 0 | 0 | 112.1 | L12 R15 | P10-L12 VanDerWaalsContact C-N 3.29Å; P10-L12 PolarHBondContact O-N 3.5Å; P10-R15 PolarHBondContact O-NH1 2.92Å |
| 11 | G | 83.9 | Confident | 74.9 | Confident | 32 Ų | 32 | 95.4 Ų | 95.4 | 33% | 0.33 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 25 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | R15 | G11-R15 WeakPolarHBondContact O-CG 3.24Å; G11-R15 VanDerWaalsContact O-CZ 3.25Å; G11-R15 PolarHBondContact O-NH1 3.41Å |
| 12 | L | 88.3 | Confident | 77.6 | Confident | 5 Ų | 5 | 83.9 Ų | 83.9 | 3% | 0.026 | 44% | 0.44 | C | S | . | . | trans | -66.4 | -43.9 | 176.4 | 177.3 | 62 | 0 | 0 | 0 | 111.3 | P10 D14 R15 I16 I108 Y510 | P10-L12 VanDerWaalsContact C-N 3.29Å; P10-L12 PolarHBondContact O-N 3.5Å; L12-D14 PolarHBondContact O-N 2.83Å; L12-R15 PolarHBondContact O-N 3.47Å; L12-I16 HydrophobicContact CD1-CD1 4.3Å; L12-I16 HydrophobicContact CD1-CG2 4.15Å; L12-I16 HydrophobicContact CG-CD1 4.14Å; L12-I16 PolarHBondContact O-N 3.37Å; L12-I108 WeakPolarHBondContact CD1-O 3.37Å; L12-Y510 HydrophobicContact CD1-CD2 4.35Å; L12-Y510 HydrophobicContact CD1-CE2 4.43Å; L12-Y510 HydrophobicContact CD2-CD2 4.04Å; L12-Y510 HydrophobicContact CD2-CE2 4.19Å | ||
| 13 | D | 86.3 | Confident | 80.1 | Confident | 102 Ų | 102 | 76.8 Ų | 76.8 | 55% | 0.545 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -29.7 | -177.6 | -62.1 | -52.6 | 0 | 0 | 0 | 112.3 | R15 R514 | D13-R15 VanDerWaalsContact C-N 3.3Å; D13-R15 PolarHBondContact O-N 2.84Å; D13-R514 IonicContact OD1-CZ 3.17Å; D13-R514 IonicContact OD1-NH1 2.7Å; D13-R514 PolarHBondContact OD1-NH1 2.97Å; D13-R514 IonicContact OD1-NH2 2.77Å; D13-R514 PolarHBondContact OD1-NH2 2.65Å; D13-R514 IonicContact OD2-NH2 3.38Å; D13-R514 PolarHBondContact OD2-NH2 3.39Å |
| 14 | D | 85.7 | Confident | 82.5 | Confident | 149 Ų | 149 | 75.7 Ų | 75.7 | 80% | 0.797 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -15.2 | 176.3 | -51.2 | -47 | 0 | 0 | 0 | 113.4 | L12 | L12-D14 PolarHBondContact O-N 2.83Š|
| 15 | R | 89.4 | Confident | 84.1 | Confident | 75 Ų | 75 | 68.8 Ų | 68.8 | 28% | 0.283 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -14.7 | -174.2 | -70.7 | -171 | -55.7 | -101.5 | 6.8 | 114.3 | N9 P10 G11 L12 D13 S107 I108 | N9-R15 PolarHBondContact OD1-NH2 3.46Å; P10-R15 PolarHBondContact O-NH1 2.92Å; G11-R15 WeakPolarHBondContact O-CG 3.24Å; G11-R15 VanDerWaalsContact O-CZ 3.25Å; G11-R15 PolarHBondContact O-NH1 3.41Å; L12-R15 PolarHBondContact O-N 3.47Å; D13-R15 VanDerWaalsContact C-N 3.3Å; D13-R15 PolarHBondContact O-N 2.84Å; R15-S107 PolarHBondContact NE-O 2.89Å; R15-S107 PolarHBondContact O-OG 3.45Å; R15-I108 PolarHBondContact NH2-O 3.45Å; R15-I108 VanDerWaalsContact NH2-O 3.13Å |
| 16 | I | 91.4 | Very high | 85.3 | Confident | 12 Ų | 12 | 66.3 Ų | 66.3 | 6% | 0.062 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -122.4 | 146.7 | -176.8 | 67.5 | -178.7 | 0 | 0 | 0 | 109.5 | L12 S18 L97 Y510 | L12-I16 HydrophobicContact CD1-CD1 4.3Å; L12-I16 HydrophobicContact CD1-CG2 4.15Å; L12-I16 HydrophobicContact CG-CD1 4.14Å; L12-I16 PolarHBondContact O-N 3.37Å; I16-S18 PolarHBondContact O-N 3.2Å; I16-L97 HydrophobicContact CB-CD2 3.93Å; I16-L97 HydrophobicContact CG2-CD2 3.69Å; I16-Y510 HydrophobicContact CD1-CE2 3.9Å |
| 17 | P | 89.8 | Confident | 86 | Confident | 22 Ų | 22 | 69.4 Ų | 69.4 | 14% | 0.143 | 38% | 0.376 | C | S | . | . | trans | -59.3 | 135.4 | 173.8 | -23 | 33.9 | 0 | 0 | 0 | 111.1 | D21 L22 M25 R96 | P17-D21 HydrophobicContact CB-CB 4.26Å; P17-L22 HydrophobicContact CB-CD2 3.86Å; P17-L22 HydrophobicContact CB-CG 4.05Å; P17-L22 HydrophobicContact CG-CD2 4.33Å; P17-M25 HydrophobicContact CB-SD 3.97Å; P17-M25 HydrophobicContact CG-CE 4.44Å; P17-M25 HydrophobicContact CG-SD 4.01Å; P17-R96 PolarHBondContact O-NH1 3.43Å; P17-R96 PolarHBondContact O-NH2 3.39Å | ||
| 18 | S | 92.1 | Very high | 86 | Confident | 56 Ų | 56 | 70.5 Ų | 70.5 | 39% | 0.392 | 38% | 0.383 | S | S | . | . | trans | -71.1 | 166.5 | 168.7 | 76.8 | 0 | 0 | 0 | 0 | 110.6 | I16 G20 D21 L22 | I16-S18 PolarHBondContact O-N 3.2Å; S18-G20 VanDerWaalsContact C-N 3.28Å; S18-G20 PolarHBondContact O-N 3.25Å; S18-D21 VanDerWaalsContact CB-OD2 3.28Å; S18-D21 WeakPolarHBondContact CB-OD2 3.42Å; S18-D21 PolarHBondContact N-OD2 3.41Å; S18-D21 VanDerWaalsContact N-OD2 3.14Å; S18-D21 PolarHBondContact O-N 3.05Å; S18-D21 VanDerWaalsContact O-N 3.15Å; S18-D21 PolarHBondContact OG-N 3.03Å; S18-D21 PolarHBondContact OG-OD2 2.9Å; S18-L22 WeakPolarHBondContact O-CG 3.42Å; S18-L22 PolarHBondContact O-N 2.9Å | ||
| 19 | H | 91.6 | Very high | 85.5 | Confident | 65 Ų | 65 | 67.6 Ų | 67.6 | 30% | 0.301 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.4 | -40 | 177.8 | -62.7 | 159.6 | 0 | 0 | 0 | 112.1 | D21 L22 E23 D518 F521 | H19-D21 VanDerWaalsContact C-N 3.35Å; H19-L22 WeakPolarHBondContact O-CB 3.46Å; H19-L22 PolarHBondContact O-N 3.19Å; H19-E23 PolarHBondContact O-N 3.27Å; H19-D518 IonicContact CD2-OD1 3.99Å; H19-D518 IonicContact CE1-OD1 3.32Å; H19-D518 IonicContact NE2-OD1 3.91Å; H19-D518 PolarHBondContact NE2-OD1 3.27Å; H19-F521 HydrophobicContact CB-CD1 4.43Å; H19-F521 HydrophobicContact CB-CD2 4.2Å; H19-F521 HydrophobicContact CB-CE1 4.2Å; H19-F521 HydrophobicContact CB-CE2 3.97Å; H19-F521 HydrophobicContact CB-CG 4.43Å; H19-F521 HydrophobicContact CB-CZ 3.97Å; H19-F521 AromaticContact CD2-CD1 3.82Å |
| 20 | G | 88.6 | Confident | 84.2 | Confident | 35 Ų | 35 | 69.5 Ų | 69.5 | 36% | 0.361 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -70.6 | -28.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | S18 K24 | S18-G20 VanDerWaalsContact C-N 3.28Å; S18-G20 PolarHBondContact O-N 3.25Å; G20-K24 WeakPolarHBondContact O-CG 3.34Å; G20-K24 PolarHBondContact O-N 3.42Å |
| 21 | D | 88.3 | Confident | 83 | Confident | 68 Ų | 68 | 68.3 Ų | 68.3 | 36% | 0.364 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -71.5 | -36.7 | 173.3 | -58.1 | -40.1 | 0 | 0 | 0 | 111.1 | P17 S18 H19 E23 K24 M25 | P17-D21 HydrophobicContact CB-CB 4.26Å; S18-D21 VanDerWaalsContact CB-OD2 3.28Å; S18-D21 WeakPolarHBondContact CB-OD2 3.42Å; S18-D21 PolarHBondContact N-OD2 3.41Å; S18-D21 VanDerWaalsContact N-OD2 3.14Å; S18-D21 PolarHBondContact O-N 3.05Å; S18-D21 VanDerWaalsContact O-N 3.15Å; S18-D21 PolarHBondContact OG-N 3.03Å; S18-D21 PolarHBondContact OG-OD2 2.9Å; H19-D21 VanDerWaalsContact C-N 3.35Å; D21-E23 PolarHBondContact O-N 3.33Å; D21-K24 PolarHBondContact O-N 3.38Å; D21-M25 WeakPolarHBondContact O-CB 3.32Å; D21-M25 WeakPolarHBondContact O-CG 3.46Å; D21-M25 PolarHBondContact O-N 3.31Å |
| 22 | L | 88.6 | Confident | 82.1 | Confident | 1 Ų | 1 | 74.4 Ų | 74.4 | 1% | 0.005 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -60.7 | -43.1 | 176.4 | -73.7 | 175.6 | 0 | 0 | 0 | 112.4 | P17 S18 H19 K24 M25 E26 R98 V296 F521 | P17-L22 HydrophobicContact CB-CD2 3.86Å; P17-L22 HydrophobicContact CB-CG 4.05Å; P17-L22 HydrophobicContact CG-CD2 4.33Å; S18-L22 WeakPolarHBondContact O-CG 3.42Å; S18-L22 PolarHBondContact O-N 2.9Å; H19-L22 WeakPolarHBondContact O-CB 3.46Å; H19-L22 PolarHBondContact O-N 3.19Å; L22-K24 VanDerWaalsContact C-N 3.29Å; L22-K24 PolarHBondContact O-N 3.09Å; L22-M25 PolarHBondContact O-N 3.41Å; L22-E26 WeakPolarHBondContact O-CB 3.39Å; L22-E26 PolarHBondContact O-N 3.19Å; L22-R98 HydrophobicContact CD2-CG 4.19Å; L22-V296 HydrophobicContact CB-CG1 4.35Å; L22-V296 HydrophobicContact CB-CG2 4.23Å; L22-V296 HydrophobicContact CD1-CG1 4.26Å; L22-F521 HydrophobicContact CD1-CE1 4Å |
| 23 | E | 89 | Confident | 81.4 | Confident | 88 Ų | 88 | 76.8 Ų | 76.8 | 41% | 0.411 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65 | -33.8 | 176.9 | -67.8 | 178.9 | -179.8 | 0 | 0 | 112.5 | H19 D21 K27 F521 | H19-E23 PolarHBondContact O-N 3.27Å; D21-E23 PolarHBondContact O-N 3.33Å; E23-K27 WeakPolarHBondContact O-CG 3.39Å; E23-K27 PolarHBondContact O-N 3.07Å; E23-F521 HydrophobicContact CG-CZ 4.09Å |
| 24 | K | 87 | Confident | 81.1 | Confident | 127 Ų | 127 | 73 Ų | 73 | 55% | 0.552 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -72 | -48.9 | 174.6 | -70.3 | 174.1 | -174.4 | 173.2 | 0 | 111 | G20 D21 L22 E26 K27 D28 | G20-K24 WeakPolarHBondContact O-CG 3.34Å; G20-K24 PolarHBondContact O-N 3.42Å; D21-K24 PolarHBondContact O-N 3.38Å; L22-K24 VanDerWaalsContact C-N 3.29Å; L22-K24 PolarHBondContact O-N 3.09Å; K24-E26 PolarHBondContact O-N 3.08Å; K24-K27 PolarHBondContact O-N 3.14Å; K24-D28 WeakPolarHBondContact O-CB 3.5Å; K24-D28 VanDerWaalsContact O-CG 3.29Å; K24-D28 PolarHBondContact O-N 3.36Å |
| 25 | M | 83.3 | Confident | 81.1 | Confident | 48 Ų | 48 | 70.3 Ų | 70.3 | 24% | 0.236 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -56.3 | -40 | 176.4 | -71.8 | 170.4 | 73.8 | 0 | 0 | 111.1 | P17 D21 L22 K27 D28 E29 | P17-M25 HydrophobicContact CB-SD 3.97Å; P17-M25 HydrophobicContact CG-CE 4.44Å; P17-M25 HydrophobicContact CG-SD 4.01Å; D21-M25 WeakPolarHBondContact O-CB 3.32Å; D21-M25 WeakPolarHBondContact O-CG 3.46Å; D21-M25 PolarHBondContact O-N 3.31Å; L22-M25 PolarHBondContact O-N 3.41Å; M25-K27 VanDerWaalsContact C-N 3.27Å; M25-K27 PolarHBondContact O-N 3.36Å; M25-D28 PolarHBondContact O-N 3.4Å; M25-E29 HydrophobicContact CB-CG 4.12Å; M25-E29 WeakPolarHBondContact CE-OE1 3.42Å; M25-E29 WeakPolarHBondContact O-CA 3.46Å; M25-E29 WeakPolarHBondContact O-CB 3.31Å; M25-E29 VanDerWaalsContact O-CG 3.29Å; M25-E29 WeakPolarHBondContact O-CG 3.3Å; M25-E29 PolarHBondContact O-N 3.04Å |
| 26 | E | 82.9 | Confident | 81.2 | Confident | 59 Ų | 59 | 67.9 Ų | 67.9 | 28% | 0.276 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.9 | -31.6 | 177.1 | -175.5 | 159.2 | -130.8 | 0 | 0 | 113.4 | L22 K24 R98 S295 V296 | L22-E26 WeakPolarHBondContact O-CB 3.39Å; L22-E26 PolarHBondContact O-N 3.19Å; K24-E26 PolarHBondContact O-N 3.08Å; E26-R98 IonicContact OE1-NH2 3.79Å; E26-S295 WeakPolarHBondContact OE1-CA 3.31Å; E26-S295 WeakPolarHBondContact OE1-CB 3.3Å; E26-V296 HydrophobicContact CB-CG2 4.16Å; E26-V296 PolarHBondContact OE1-N 3.46Å; E26-V296 WeakPolarHBondContact OE2-CB 3.5Å; E26-V296 WeakPolarHBondContact OE2-CG2 3.48Å |
| 27 | K | 81.4 | Confident | 81.1 | Confident | 166 Ų | 166 | 72.7 Ų | 72.7 | 72% | 0.722 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -82.1 | -38.6 | 176.1 | -68.4 | 175.2 | -177.4 | 172.9 | 0 | 112.6 | E23 K24 M25 | E23-K27 WeakPolarHBondContact O-CG 3.39Å; E23-K27 PolarHBondContact O-N 3.07Å; K24-K27 PolarHBondContact O-N 3.14Å; M25-K27 VanDerWaalsContact C-N 3.27Å; M25-K27 PolarHBondContact O-N 3.36Å |
| 28 | D | 75.9 | Confident | 81.2 | Confident | 128 Ų | 128 | 74.9 Ų | 74.9 | 68% | 0.684 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -88.6 | -35 | -172.3 | -62.8 | -22 | 0 | 0 | 0 | 112.5 | K24 M25 A30 | K24-D28 WeakPolarHBondContact O-CB 3.5Å; K24-D28 VanDerWaalsContact O-CG 3.29Å; K24-D28 PolarHBondContact O-N 3.36Å; M25-D28 PolarHBondContact O-N 3.4Å; D28-A30 VanDerWaalsContact C-N 3.28Å; D28-A30 PolarHBondContact O-N 2.94Å |
| 29 | E | 64.8 | Low | 81.2 | Confident | 61 Ų | 61 | 75.7 Ų | 75.7 | 29% | 0.285 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 7.1 | -179 | -59.6 | -173.6 | 158.2 | 0 | 0 | 113.7 | M25 G31 D32 | M25-E29 HydrophobicContact CB-CG 4.12Å; M25-E29 WeakPolarHBondContact CE-OE1 3.42Å; M25-E29 WeakPolarHBondContact O-CA 3.46Å; M25-E29 WeakPolarHBondContact O-CB 3.31Å; M25-E29 VanDerWaalsContact O-CG 3.29Å; M25-E29 WeakPolarHBondContact O-CG 3.3Å; M25-E29 PolarHBondContact O-N 3.04Å; E29-G31 PolarHBondContact O-N 3.05Å; E29-D32 PolarHBondContact O-N 3.26Å |
| 30 | A | 57.6 | Low | 81.2 | Confident | 65 Ų | 65 | 75 Ų | 75 | 54% | 0.537 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -13.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | D28 | D28-A30 VanDerWaalsContact C-N 3.28Å; D28-A30 PolarHBondContact O-N 2.94Å |
| 31 | G | 56.4 | Low | 81.5 | Confident | 71 Ų | 71 | 73.4 Ų | 73.4 | 73% | 0.732 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | -24.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | E29 | E29-G31 PolarHBondContact O-N 3.05Š|
| 32 | D | 66 | Low | 81.8 | Confident | 159 Ų | 159 | 70.2 Ų | 70.2 | 85% | 0.85 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -21 | -167 | -78.6 | -14 | 0 | 0 | 0 | 114.1 | E29 | E29-D32 PolarHBondContact O-N 3.26Š|
| 33 | R | 73.1 | Confident | 82.1 | Confident | 56 Ų | 56 | 71.9 Ų | 71.9 | 21% | 0.211 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -115.5 | 137.3 | -179.6 | -167.9 | -179.9 | -177.4 | 159.8 | 3.8 | 110.7 | R98 S292 Y293 | R33-R98 VanDerWaalsContact NH1-C 3.29Å; R33-R98 PolarHBondContact NH1-O 3.35Å; R33-R98 PolarHBondContact NH2-O 3.47Å; R33-S292 PolarHBondContact NH2-OG 2.98Å; R33-Y293 HydrophobicContact CG-CD1 4.28Å; R33-Y293 HydrophobicContact CG-CE1 4.39Å |
| 34 | P | 81 | Confident | 82.4 | Confident | 21 Ų | 21 | 69.7 Ų | 69.7 | 14% | 0.136 | 38% | 0.375 | C | S | . | . | trans | -65 | 140.8 | 177.8 | 30.8 | -38.4 | 0 | 0 | 0 | 110.3 | I217 Y293 | P34-I217 HydrophobicContact CB-CD1 3.68Å; P34-I217 HydrophobicContact CB-CG1 3.75Å; P34-I217 HydrophobicContact CG-CD1 4.02Å; P34-I217 HydrophobicContact CG-CG1 4.19Å; P34-Y293 HydrophobicContact CG-CD1 4.24Å; P34-Y293 HydrophobicContact CG-CE1 3.88Å; P34-Y293 VanDerWaalsContact O-CD1 3.24Å; P34-Y293 WeakPolarHBondContact O-CD1 3.42Å | ||
| 35 | Q | 85.7 | Confident | 82.8 | Confident | 94 Ų | 94 | 63.9 Ų | 63.9 | 44% | 0.439 | 35% | 0.35 | S | S | . | . | trans | -123.6 | 162 | 179.9 | -60.9 | -173.5 | -1 | 0 | 0 | 109.7 | ||||
| 36 | W | 90.9 | Very high | 83.4 | Confident | 24 Ų | 24 | 61.6 Ų | 61.6 | 9% | 0.091 | 34% | 0.339 | C | S | . | . | trans | -76 | 133.8 | 172.3 | -61.6 | 112.4 | 0 | 0 | 0 | 110.5 | N38 Q41 Y42 T45 I217 F290 Y293 N294 | W36-N38 PolarHBondContact O-N 3.37Å; W36-Q41 HydrophobicContact CE3-CG 3.78Å; W36-Q41 HydrophobicContact CZ3-CG 4.13Å; W36-Y42 AromaticContact CE2-CD2 3.86Å; W36-Y42 HydrophobicContact CZ2-CD2 4.25Å; W36-Y42 AromaticContact NE1-CD2 3.48Å; W36-T45 HydrophobicContact CH2-CG2 3.96Å; W36-I217 HydrophobicContact CH2-CB 3.95Å; W36-I217 HydrophobicContact CH2-CG2 3.86Å; W36-I217 HydrophobicContact CZ2-CG2 4.25Å; W36-I217 HydrophobicContact CZ3-CB 3.92Å; W36-I217 HydrophobicContact CZ3-CG2 4.36Å; W36-F290 AromaticContact CH2-CD1 3.95Å; W36-F290 HydrophobicContact CH2-CD1 3.95Å; W36-F290 HydrophobicContact CH2-CE1 4.34Å; W36-F290 HydrophobicContact CZ2-CB 4Å; W36-F290 AromaticContact CZ2-CD1 3.8Å; W36-F290 HydrophobicContact CZ2-CD1 3.8Å; W36-F290 HydrophobicContact CZ2-CG 4.14Å; W36-F290 PolarHBondContact NE1-O 3.3Å; W36-Y293 HydrophobicContact CZ2-CD2 4.31Å; W36-N294 VanDerWaalsContact CD1-OD1 3.23Å | ||
| 37 | D | 89.3 | Confident | 84 | Confident | 113 Ų | 113 | 59.3 Ų | 59.3 | 60% | 0.604 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -64.1 | -33.2 | 179.1 | -59.7 | -26.4 | 0 | 0 | 0 | 111.3 | Q41 | D37-Q41 VanDerWaalsContact CB-OE1 3.26Å; D37-Q41 PolarHBondContact OD2-OE1 2.86Å |
| 38 | N | 92 | Very high | 84.5 | Confident | 67 Ų | 67 | 51.5 Ų | 51.5 | 36% | 0.358 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -155.8 | 167.8 | 176.1 | 61.9 | 67.7 | 0 | 0 | 0 | 112.5 | W36 A40 Q41 Y225 | W36-N38 PolarHBondContact O-N 3.37Å; N38-A40 VanDerWaalsContact C-N 3.32Å; N38-A40 PolarHBondContact O-N 3Å; N38-A40 WeakPolarHBondContact OD1-CA 3.36Å; N38-A40 WeakPolarHBondContact OD1-CB 3.36Å; N38-A40 PolarHBondContact OD1-N 3.38Å; N38-Q41 WeakPolarHBondContact O-CB 3.37Å; N38-Q41 PolarHBondContact O-N 3.18Å; N38-Q41 PolarHBondContact OD1-N 3.33Å; N38-Y225 VanDerWaalsContact CG-OH 3.32Å; N38-Y225 PolarHBondContact ND2-OH 3.04Å; N38-Y225 PolarHBondContact OD1-OH 2.95Å |
| 39 | K | 92.1 | Very high | 85.4 | Confident | 73 Ų | 73 | 45.5 Ų | 45.5 | 32% | 0.317 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.1 | -35 | -179.6 | -175.8 | 61.1 | 178.6 | -176.1 | 0 | 113.7 | Y42 L43 N298 D303 | K39-Y42 HydrophobicContact CD-CD1 4.3Å; K39-Y42 PolarHBondContact O-N 3.38Å; K39-L43 HydrophobicContact CG-CD1 4.18Å; K39-L43 HydrophobicContact CG-CG 4.48Å; K39-L43 WeakPolarHBondContact O-CG 3.28Å; K39-L43 PolarHBondContact O-N 3.45Å; K39-N298 VanDerWaalsContact NZ-CG 3.33Å; K39-N298 PolarHBondContact NZ-ND2 3.32Å; K39-N298 PolarHBondContact NZ-OD1 3.3Å; K39-D303 WeakPolarHBondContact CE-OD1 3.3Å; K39-D303 IonicContact NZ-OD1 3.62Å; K39-D303 PolarHBondContact NZ-OD1 3.25Å; K39-D303 IonicContact NZ-OD2 2.76Å; K39-D303 PolarHBondContact NZ-OD2 3.02Å |
| 40 | A | 92.4 | Very high | 86.8 | Confident | 50 Ų | 50 | 42.8 Ų | 42.8 | 41% | 0.413 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.4 | -37.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | N38 Y42 L43 L44 | N38-A40 VanDerWaalsContact C-N 3.32Å; N38-A40 PolarHBondContact O-N 3Å; N38-A40 WeakPolarHBondContact OD1-CA 3.36Å; N38-A40 WeakPolarHBondContact OD1-CB 3.36Å; N38-A40 PolarHBondContact OD1-N 3.38Å; A40-Y42 PolarHBondContact O-N 3.35Å; A40-L43 PolarHBondContact O-N 3.49Å; A40-L44 VanDerWaalsContact O-CB 3.3Å; A40-L44 WeakPolarHBondContact O-CB 3.25Å; A40-L44 VanDerWaalsContact O-CG 3.27Å; A40-L44 WeakPolarHBondContact O-CG 3.49Å; A40-L44 PolarHBondContact O-N 2.96Å |
| 41 | Q | 94.4 | Very high | 88.3 | Confident | 3 Ų | 3 | 40 Ų | 40 | 1% | 0.014 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.2 | -45.5 | 174.9 | -175.2 | 174.7 | -19.5 | 0 | 0 | 111.6 | W36 D37 N38 T45 G221 Y225 | W36-Q41 HydrophobicContact CE3-CG 3.78Å; W36-Q41 HydrophobicContact CZ3-CG 4.13Å; D37-Q41 VanDerWaalsContact CB-OE1 3.26Å; D37-Q41 PolarHBondContact OD2-OE1 2.86Å; N38-Q41 WeakPolarHBondContact O-CB 3.37Å; N38-Q41 PolarHBondContact O-N 3.18Å; N38-Q41 PolarHBondContact OD1-N 3.33Å; Q41-T45 WeakPolarHBondContact O-CB 3.44Å; Q41-T45 PolarHBondContact O-N 2.91Å; Q41-T45 PolarHBondContact O-OG1 2.89Å; Q41-G221 WeakPolarHBondContact CG-O 3.5Å; Q41-Y225 HydrophobicContact CB-CE2 4.34Å; Q41-Y225 HydrophobicContact CG-CE2 4.38Å |
| 42 | Y | 94.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.4 | -53.2 | 173.9 | 167.4 | -108.2 | 0 | 0 | 0 | 111.6 | W36 K39 A40 L44 T45 C46 F290 N294 D303 | W36-Y42 AromaticContact CE2-CD2 3.86Å; W36-Y42 HydrophobicContact CZ2-CD2 4.25Å; W36-Y42 AromaticContact NE1-CD2 3.48Å; K39-Y42 HydrophobicContact CD-CD1 4.3Å; K39-Y42 PolarHBondContact O-N 3.38Å; A40-Y42 PolarHBondContact O-N 3.35Å; Y42-L44 PolarHBondContact O-N 3.26Å; Y42-T45 PolarHBondContact O-N 3.46Å; Y42-T45 VanDerWaalsContact O-N 3.14Å; Y42-C46 WeakPolarHBondContact CE2-SG 3.48Å; Y42-C46 PolarHBondContact O-N 3.43Å; Y42-F290 HydrophobicContact CE2-CB 4.42Å; Y42-N294 WeakPolarHBondContact CD2-ND2 3.27Å; Y42-N294 WeakPolarHBondContact CE1-ND2 3.28Å; Y42-N294 WeakPolarHBondContact CE2-ND2 3.45Å; Y42-D303 HydrophobicContact CE1-CB 4.3Å; Y42-D303 WeakPolarHBondContact CE1-OD2 3.38Å |
| 43 | L | 95.1 | Very high | 90.7 | Very high | 36 Ų | 36 | 29.2 Ų | 29.2 | 19% | 0.188 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.2 | -44.1 | -177.5 | -70.8 | 176.4 | 0 | 0 | 0 | 112.2 | K39 A40 T45 C46 V47 D303 L306 I307 | K39-L43 HydrophobicContact CG-CD1 4.18Å; K39-L43 HydrophobicContact CG-CG 4.48Å; K39-L43 WeakPolarHBondContact O-CG 3.28Å; K39-L43 PolarHBondContact O-N 3.45Å; A40-L43 PolarHBondContact O-N 3.49Å; L43-T45 VanDerWaalsContact C-N 3.28Å; L43-T45 PolarHBondContact O-N 2.87Å; L43-C46 PolarHBondContact O-N 2.75Å; L43-V47 WeakPolarHBondContact O-CB 3.38Å; L43-V47 VanDerWaalsContact O-CG2 3.28Å; L43-V47 WeakPolarHBondContact O-CG2 3.25Å; L43-V47 PolarHBondContact O-N 3.38Å; L43-D303 HydrophobicContact CD2-CB 4.34Å; L43-L306 HydrophobicContact CD1-CD2 4.11Å; L43-I307 HydrophobicContact CD2-CD1 4.07Å; L43-I307 HydrophobicContact CD2-CG1 4.34Å |
| 44 | L | 94.9 | Very high | 91.3 | Very high | 43 Ų | 43 | 27.6 Ų | 27.6 | 23% | 0.225 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.6 | -30.8 | 177.3 | -72 | 172.4 | 0 | 0 | 0 | 112.7 | A40 Y42 G48 V224 Y225 S228 T229 | A40-L44 VanDerWaalsContact O-CB 3.3Å; A40-L44 WeakPolarHBondContact O-CB 3.25Å; A40-L44 VanDerWaalsContact O-CG 3.27Å; A40-L44 WeakPolarHBondContact O-CG 3.49Å; A40-L44 PolarHBondContact O-N 2.96Å; Y42-L44 PolarHBondContact O-N 3.26Å; L44-G48 PolarHBondContact O-N 2.94Å; L44-V224 HydrophobicContact CB-CG1 4.34Å; L44-V224 HydrophobicContact CB-CG2 4.25Å; L44-V224 WeakPolarHBondContact O-CG2 3.41Å; L44-Y225 HydrophobicContact CD1-CD1 3.61Å; L44-Y225 HydrophobicContact CD1-CE1 3.7Å; L44-S228 PolarHBondContact O-OG 2.87Å; L44-T229 HydrophobicContact CD2-CG2 4.5Å |
| 45 | T | 95.2 | Very high | 91.5 | Very high | 4 Ų | 4 | 26.7 Ų | 26.7 | 3% | 0.025 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70.5 | -45.3 | 174.3 | -54.9 | 0 | 0 | 0 | 0 | 111.5 | W36 Q41 Y42 L43 G48 F49 F290 | W36-T45 HydrophobicContact CH2-CG2 3.96Å; Q41-T45 WeakPolarHBondContact O-CB 3.44Å; Q41-T45 PolarHBondContact O-N 2.91Å; Q41-T45 PolarHBondContact O-OG1 2.89Å; Y42-T45 PolarHBondContact O-N 3.46Å; Y42-T45 VanDerWaalsContact O-N 3.14Å; L43-T45 VanDerWaalsContact C-N 3.28Å; L43-T45 PolarHBondContact O-N 2.87Å; T45-G48 PolarHBondContact O-N 3.33Å; T45-F49 WeakPolarHBondContact O-CB 3.48Å; T45-F49 PolarHBondContact O-N 3.49Å; T45-F290 HydrophobicContact CG2-CD1 4.42Å; T45-F290 HydrophobicContact CG2-CD2 4.1Å; T45-F290 HydrophobicContact CG2-CE1 4.06Å; T45-F290 HydrophobicContact CG2-CE2 3.71Å; T45-F290 HydrophobicContact CG2-CG 4.44Å; T45-F290 HydrophobicContact CG2-CZ 3.68Å |
| 46 | C | 95.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65 | -44.4 | 174.7 | -67 | 0 | 0 | 0 | 0 | 111.8 | Y42 L43 G48 F49 C50 F91 L287 I307 | Y42-C46 WeakPolarHBondContact CE2-SG 3.48Å; Y42-C46 PolarHBondContact O-N 3.43Å; L43-C46 PolarHBondContact O-N 2.75Å; C46-G48 PolarHBondContact O-N 3.49Å; C46-F49 PolarHBondContact O-N 2.97Å; C46-C50 PolarHBondContact O-N 3.08Å; C46-C50 PolarHBondContact O-SG 3Å; C46-F91 HydrophobicContact CB-CZ 4.35Å; C46-L287 HydrophobicContact CB-CD2 4.41Å; C46-I307 HydrophobicContact CB-CD1 3.47Å; C46-I307 VanDerWaalsContact CB-CD1 3.47Å; C46-I307 HydrophobicContact CB-CG1 4.36Å |
| 47 | V | 94.9 | Very high | 90.9 | Very high | 11 Ų | 11 | 22 Ų | 22 | 7% | 0.067 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.4 | -45.8 | 175.8 | 170.4 | 0 | 0 | 0 | 0 | 110.8 | L43 F49 C50 V51 Y232 I307 I310 | L43-V47 WeakPolarHBondContact O-CB 3.38Å; L43-V47 VanDerWaalsContact O-CG2 3.28Å; L43-V47 WeakPolarHBondContact O-CG2 3.25Å; L43-V47 PolarHBondContact O-N 3.38Å; V47-F49 PolarHBondContact O-N 3.46Å; V47-C50 PolarHBondContact O-N 3.47Å; V47-V51 HydrophobicContact CG1-CG2 4.08Å; V47-V51 VanDerWaalsContact O-CB 3.29Å; V47-V51 WeakPolarHBondContact O-CB 3.38Å; V47-V51 WeakPolarHBondContact O-CG2 3.43Å; V47-V51 PolarHBondContact O-N 3.35Å; V47-Y232 HydrophobicContact CG1-CE2 4.43Å; V47-I307 HydrophobicContact CG2-CG1 4.15Å; V47-I310 HydrophobicContact CG1-CG2 3.91Å; V47-I310 HydrophobicContact CG2-CD1 4.13Å; V47-I310 HydrophobicContact CG2-CG2 4.17Å |
| 48 | G | 93.6 | Very high | 90.8 | Very high | 3 Ų | 3 | 18.5 Ų | 18.5 | 3% | 0.031 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -67.4 | -21.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L44 T45 C46 V51 S228 S431 T432 | L44-G48 PolarHBondContact O-N 2.94Å; T45-G48 PolarHBondContact O-N 3.33Å; C46-G48 PolarHBondContact O-N 3.49Å; G48-V51 VanDerWaalsContact O-O 3.1Å; G48-S228 WeakPolarHBondContact CA-OG 3.09Å; G48-S431 CarbonylContact O-C 3.59Å; G48-S431 VanDerWaalsContact O-C 3.23Å; G48-S431 WeakPolarHBondContact O-CB 3.36Å; G48-S431 PolarHBondContact O-OG 3.46Å; G48-T432 PolarHBondContact O-N 3.4Å |
| 49 | F | 94.8 | Very high | 90.7 | Very high | 1 Ų | 1 | 15.3 Ų | 15.3 | 0% | 0.004 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -83.2 | -34.4 | 174 | -174.8 | -135.4 | 0 | 0 | 0 | 113 | T45 C46 V47 S281 F284 L287 F290 T432 G435 | T45-F49 WeakPolarHBondContact O-CB 3.48Å; T45-F49 PolarHBondContact O-N 3.49Å; C46-F49 PolarHBondContact O-N 2.97Å; V47-F49 PolarHBondContact O-N 3.46Å; F49-S281 VanDerWaalsContact CZ-CB 3.43Å; F49-S281 PolarHBondContact O-OG 3.25Å; F49-F284 HydrophobicContact CZ-CB 4.06Å; F49-F284 HydrophobicContact CZ-CG 4.33Å; F49-L287 HydrophobicContact CD1-CD2 3.62Å; F49-L287 HydrophobicContact CD1-CG 3.8Å; F49-L287 HydrophobicContact CE1-CD2 4.28Å; F49-L287 HydrophobicContact CE1-CG 3.94Å; F49-F290 HydrophobicContact CB-CE2 4.37Å; F49-F290 HydrophobicContact CD1-CE2 4.33Å; F49-F290 HydrophobicContact CG-CE2 4.4Å; F49-T432 HydrophobicContact CD2-CG2 4.28Å; F49-T432 WeakPolarHBondContact CD2-O 3.46Å; F49-T432 HydrophobicContact CE2-CG2 4.36Å; F49-T432 WeakPolarHBondContact CE2-O 3.29Å; F49-G435 VanDerWaalsContact CD2-CA 3.47Å; F49-G435 VanDerWaalsContact CE2-C 3.44Å |
| 50 | C | 92.8 | Very high | 90.5 | Very high | 4 Ų | 4 | 12 Ų | 12 | 3% | 0.027 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -78.4 | -46.3 | 174.8 | -59.5 | 0 | 0 | 0 | 0 | 111.5 | C46 V47 G52 S279 F280 | C46-C50 PolarHBondContact O-N 3.08Å; C46-C50 PolarHBondContact O-SG 3Å; V47-C50 PolarHBondContact O-N 3.47Å; C50-G52 PolarHBondContact O-N 3.4Å; C50-S279 CarbonylContact C-O 3.48Å; C50-S279 VanDerWaalsContact C-O 3.3Å; C50-S279 WeakPolarHBondContact CA-O 3.45Å; C50-S279 WeakPolarHBondContact CB-O 3.31Å; C50-F280 PolarHBondContact SG-O 3.33Å |
| 51 | V | 90.6 | Very high | 90.2 | Very high | 6 Ų | 6 | 11.7 Ų | 11.7 | 4% | 0.036 | 6% | 0.063 | C | C | . | . | S | Bend | trans | -84.5 | 111.8 | -179.9 | -179.5 | 0 | 0 | 0 | 0 | 109.1 | V47 G48 N55 T314 L428 | V47-V51 HydrophobicContact CG1-CG2 4.08Å; V47-V51 VanDerWaalsContact O-CB 3.29Å; V47-V51 WeakPolarHBondContact O-CB 3.38Å; V47-V51 WeakPolarHBondContact O-CG2 3.43Å; V47-V51 PolarHBondContact O-N 3.35Å; G48-V51 VanDerWaalsContact O-O 3.1Å; V51-N55 WeakPolarHBondContact CA-OD1 3.44Å; V51-T314 HydrophobicContact CG1-CG2 3.63Å; V51-T314 HydrophobicContact CG2-CG2 4.25Å; V51-L428 HydrophobicContact CG1-CD2 4.1Å |
| 52 | G | 86.8 | Confident | 89.9 | Confident | 3 Ų | 3 | 12.1 Ų | 12.1 | 3% | 0.031 | 7% | 0.065 | C | C | . | . | S | Bend | trans | -144.2 | -163.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113 | C50 G54 N55 T432 | C50-G52 PolarHBondContact O-N 3.4Å; G52-G54 PolarHBondContact O-N 3.39Å; G52-G54 VanDerWaalsContact O-N 3.11Å; G52-N55 PolarHBondContact N-OD1 3Å; G52-N55 PolarHBondContact O-N 2.85Å; G52-N55 PolarHBondContact O-OD1 3.46Å; G52-T432 WeakPolarHBondContact CA-OG1 3.37Å |
| 53 | L | 85.5 | Confident | 89.6 | Confident | 1 Ų | 1 | 12.1 Ų | 12.1 | 1% | 0.005 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -56 | -28.8 | 178.2 | -63.1 | 170 | 0 | 0 | 0 | 113 | N55 V56 W57 Y130 I133 I137 L425 L428 | L53-N55 VanDerWaalsContact C-N 3.28Å; L53-N55 PolarHBondContact O-N 2.87Å; L53-V56 PolarHBondContact O-N 2.93Å; L53-W57 HydrophobicContact CB-CD2 4.27Å; L53-W57 HydrophobicContact CB-CH2 3.81Å; L53-W57 HydrophobicContact CB-CZ2 3.47Å; L53-W57 VanDerWaalsContact CB-CZ2 3.47Å; L53-W57 HydrophobicContact CB-CZ3 4.33Å; L53-W57 HydrophobicContact CD1-CH2 3.59Å; L53-W57 HydrophobicContact CD1-CZ2 3.8Å; L53-W57 HydrophobicContact CD1-CZ3 4.47Å; L53-W57 HydrophobicContact CD2-CE3 4.49Å; L53-W57 HydrophobicContact CD2-CH2 3.83Å; L53-W57 HydrophobicContact CD2-CZ2 4.4Å; L53-W57 HydrophobicContact CD2-CZ3 3.9Å; L53-W57 HydrophobicContact CG-CH2 3.94Å; L53-W57 HydrophobicContact CG-CZ2 4.07Å; L53-W57 HydrophobicContact CG-CZ3 4.46Å; L53-W57 PolarHBondContact O-N 3.11Å; L53-Y130 HydrophobicContact CB-CE2 4.5Å; L53-Y130 WeakPolarHBondContact CB-OH 3.34Å; L53-Y130 HydrophobicContact CD1-CE1 3.69Å; L53-Y130 HydrophobicContact CD1-CE2 4.34Å; L53-Y130 HydrophobicContact CG-CE1 4.41Å; L53-Y130 WeakPolarHBondContact CG-OH 3.42Å; L53-Y130 PolarHBondContact N-OH 3.36Å; L53-I133 HydrophobicContact CD1-CG2 3.89Å; L53-I137 HydrophobicContact CD1-CD1 3.96Å; L53-I137 HydrophobicContact CD2-CD1 3.95Å; L53-L425 HydrophobicContact CD2-CB 4.04Å; L53-L425 HydrophobicContact CD2-CD2 3.82Å; L53-L425 HydrophobicContact CD2-CG 4.49Å; L53-L425 WeakPolarHBondContact CD2-O 3.38Å; L53-L428 HydrophobicContact CD2-CB 4.43Å |
| 54 | G | 84.4 | Confident | 89.1 | Confident | 22 Ų | 22 | 11.1 Ų | 11.1 | 23% | 0.227 | 6% | 0.059 | C | C | . | . | I | π-helix | trans | -60.1 | -31.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | G52 V56 R58 F59 | G52-G54 PolarHBondContact O-N 3.39Å; G52-G54 VanDerWaalsContact O-N 3.11Å; G54-V56 VanDerWaalsContact C-N 3.33Å; G54-R58 WeakPolarHBondContact O-CB 3.42Å; G54-R58 PolarHBondContact O-N 3.19Å; G54-F59 PolarHBondContact O-N 2.82Å |
| 55 | N | 86.6 | Confident | 88.6 | Confident | 2 Ų | 2 | 11.5 Ų | 11.5 | 1% | 0.011 | 7% | 0.066 | C | C | . | . | I | π-helix | trans | -77.5 | -20.9 | 176.2 | -55.5 | 82.1 | 0 | 0 | 0 | 112.4 | V51 G52 L53 S279 N311 S315 S318 | V51-N55 WeakPolarHBondContact CA-OD1 3.44Å; G52-N55 PolarHBondContact N-OD1 3Å; G52-N55 PolarHBondContact O-N 2.85Å; G52-N55 PolarHBondContact O-OD1 3.46Å; L53-N55 VanDerWaalsContact C-N 3.28Å; L53-N55 PolarHBondContact O-N 2.87Å; N55-S279 PolarHBondContact ND2-OG 2.97Å; N55-N311 PolarHBondContact ND2-OD1 3.19Å; N55-S315 PolarHBondContact ND2-OG 3.3Å; N55-S318 WeakPolarHBondContact O-CB 3.39Å; N55-S318 PolarHBondContact O-OG 3.27Å |
| 56 | V | 81.9 | Confident | 88.3 | Confident | 5 Ų | 5 | 12 Ų | 12 | 3% | 0.03 | 7% | 0.068 | C | C | . | . | I | π-helix | trans | -96.1 | -36.3 | -173 | -176.3 | 0 | 0 | 0 | 0 | 112.7 | L53 G54 P60 S318 I322 M424 L425 L428 | L53-V56 PolarHBondContact O-N 2.93Å; G54-V56 VanDerWaalsContact C-N 3.33Å; V56-P60 WeakPolarHBondContact O-CG 3.3Å; V56-S318 WeakPolarHBondContact CA-OG 3.23Å; V56-I322 HydrophobicContact CG1-CD1 3.88Å; V56-I322 WeakPolarHBondContact O-CG1 3.35Å; V56-M424 HydrophobicContact CG1-CE 4.5Å; V56-L425 HydrophobicContact CB-CD2 4.4Å; V56-L425 HydrophobicContact CG1-CD2 3.84Å; V56-L428 HydrophobicContact CG2-CD1 3.47Å; V56-L428 VanDerWaalsContact CG2-CD1 3.47Å |
| 57 | W | 81.8 | Confident | 87.7 | Confident | 15 Ų | 15 | 12.7 Ų | 12.7 | 6% | 0.057 | 8% | 0.075 | C | C | . | . | I | π-helix | trans | -116.7 | -38.6 | 175 | 56.9 | 62.5 | 0 | 0 | 0 | 115.6 | L53 Y61 I133 I137 L399 A400 | L53-W57 HydrophobicContact CB-CD2 4.27Å; L53-W57 HydrophobicContact CB-CH2 3.81Å; L53-W57 HydrophobicContact CB-CZ2 3.47Å; L53-W57 VanDerWaalsContact CB-CZ2 3.47Å; L53-W57 HydrophobicContact CB-CZ3 4.33Å; L53-W57 HydrophobicContact CD1-CH2 3.59Å; L53-W57 HydrophobicContact CD1-CZ2 3.8Å; L53-W57 HydrophobicContact CD1-CZ3 4.47Å; L53-W57 HydrophobicContact CD2-CE3 4.49Å; L53-W57 HydrophobicContact CD2-CH2 3.83Å; L53-W57 HydrophobicContact CD2-CZ2 4.4Å; L53-W57 HydrophobicContact CD2-CZ3 3.9Å; L53-W57 HydrophobicContact CG-CH2 3.94Å; L53-W57 HydrophobicContact CG-CZ2 4.07Å; L53-W57 HydrophobicContact CG-CZ3 4.46Å; L53-W57 PolarHBondContact O-N 3.11Å; W57-Y61 WeakPolarHBondContact O-CB 3.06Å; W57-Y61 PolarHBondContact O-N 3.31Å; W57-Y61 VanDerWaalsContact O-N 3.14Å; W57-I133 HydrophobicContact CH2-CG2 3.24Å; W57-I133 HydrophobicContact CZ2-CD1 4.14Å; W57-I133 HydrophobicContact CZ2-CG2 3.67Å; W57-I133 HydrophobicContact CZ3-CG2 4.4Å; W57-I137 HydrophobicContact CH2-CD1 4.5Å; W57-L399 HydrophobicContact CB-CB 4.11Å; W57-L399 HydrophobicContact CB-CD2 3.78Å; W57-A400 HydrophobicContact CE3-CB 3.69Å; W57-A400 HydrophobicContact CZ3-CB 3.85Å |
| 58 | R | 86.4 | Confident | 87.2 | Confident | 39 Ų | 39 | 12.2 Ų | 12.2 | 15% | 0.147 | 7% | 0.073 | C | C | . | . | I | π-helix | trans | -75.8 | -45.8 | -170.5 | -173.3 | 174.8 | 175.9 | 159.8 | -0.6 | 110 | G54 Y61 L62 Q275 D487 | G54-R58 WeakPolarHBondContact O-CB 3.42Å; G54-R58 PolarHBondContact O-N 3.19Å; R58-Y61 PolarHBondContact O-N 2.99Å; R58-L62 HydrophobicContact CG-CD1 4Å; R58-L62 HydrophobicContact CG-CG 4.33Å; R58-L62 WeakPolarHBondContact O-CB 3.08Å; R58-L62 VanDerWaalsContact O-CG 3.28Å; R58-L62 WeakPolarHBondContact O-CG 3.2Å; R58-L62 PolarHBondContact O-N 2.75Å; R58-Q275 VanDerWaalsContact CD-OE1 3.26Å; R58-D487 IonicContact NH1-OD1 3.12Å |
| 59 | F | 90.3 | Very high | 86.7 | Confident | 1 Ų | 1 | 12.5 Ų | 12.5 | 0% | 0.004 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.4 | -49.5 | 178.9 | -177.6 | -93.9 | 0 | 0 | 0 | 112.7 | G54 Y61 L62 C63 F71 F75 Q275 A319 | G54-F59 PolarHBondContact O-N 2.82Å; F59-Y61 VanDerWaalsContact C-N 3.34Å; F59-Y61 PolarHBondContact O-N 3.5Å; F59-L62 PolarHBondContact O-N 2.69Å; F59-C63 PolarHBondContact O-N 2.91Å; F59-C63 PolarHBondContact O-SG 3.39Å; F59-C63 VanDerWaalsContact O-SG 3.42Å; F59-F71 HydrophobicContact CD2-CE1 4.26Å; F59-F71 HydrophobicContact CE2-CD1 4.42Å; F59-F71 HydrophobicContact CE2-CE1 4.08Å; F59-F75 HydrophobicContact CD2-CD2 4.38Å; F59-F75 HydrophobicContact CD2-CE1 4.48Å; F59-F75 HydrophobicContact CD2-CE2 4.2Å; F59-F75 HydrophobicContact CD2-CZ 4.25Å; F59-F75 HydrophobicContact CE2-CB 4.42Å; F59-F75 AromaticContact CE2-CD1 3.58Å; F59-F75 HydrophobicContact CE2-CD1 3.58Å; F59-F75 AromaticContact CE2-CD2 3.88Å; F59-F75 HydrophobicContact CE2-CD2 3.88Å; F59-F75 AromaticContact CE2-CE1 3.66Å; F59-F75 HydrophobicContact CE2-CE1 3.66Å; F59-F75 AromaticContact CE2-CE2 3.96Å; F59-F75 HydrophobicContact CE2-CE2 3.96Å; F59-F75 AromaticContact CE2-CG 3.69Å; F59-F75 HydrophobicContact CE2-CG 3.69Å; F59-F75 AromaticContact CE2-CZ 3.84Å; F59-F75 HydrophobicContact CE2-CZ 3.84Å; F59-F75 HydrophobicContact CZ-CD1 4.05Å; F59-F75 HydrophobicContact CZ-CE1 4.16Å; F59-F75 HydrophobicContact CZ-CG 4.49Å; F59-Q275 HydrophobicContact CD2-CG 4.2Å; F59-A319 HydrophobicContact CD1-CB 4.02Å; F59-A319 HydrophobicContact CE1-CB 3.99Å |
| 60 | P | 88.7 | Confident | 86.6 | Confident | 2 Ų | 2 | 12.5 Ų | 12.5 | 1% | 0.013 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -62 | -39.3 | 175.7 | -25.1 | 37 | 0 | 0 | 0 | 113.3 | V56 C63 Q64 A319 I322 Y323 | V56-P60 WeakPolarHBondContact O-CG 3.3Å; P60-C63 WeakPolarHBondContact O-CB 3.38Å; P60-C63 PolarHBondContact O-N 3.42Å; P60-Q64 PolarHBondContact O-N 3.35Å; P60-A319 HydrophobicContact CG-CB 4.2Å; P60-I322 HydrophobicContact CB-CB 4.31Å; P60-I322 HydrophobicContact CB-CG2 3.83Å; P60-I322 HydrophobicContact CG-CB 4.14Å; P60-I322 HydrophobicContact CG-CG1 4.1Å; P60-I322 HydrophobicContact CG-CG2 4.1Å; P60-Y323 HydrophobicContact CB-CD2 4.3Å; P60-Y323 HydrophobicContact CB-CE2 3.86Å; P60-Y323 PolarHBondContact O-OH 3Å; P60-Y323 VanDerWaalsContact O-OH 3.11Å |
| 61 | Y | 86 | Confident | 86.6 | Confident | 45 Ų | 45 | 12.3 Ų | 12.3 | 18% | 0.176 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.4 | -46.4 | 175 | 169.2 | -105.4 | 0 | 0 | 0 | 112 | W57 R58 F59 C63 Q64 S65 E395 | W57-Y61 WeakPolarHBondContact O-CB 3.06Å; W57-Y61 PolarHBondContact O-N 3.31Å; W57-Y61 VanDerWaalsContact O-N 3.14Å; R58-Y61 PolarHBondContact O-N 2.99Å; F59-Y61 VanDerWaalsContact C-N 3.34Å; F59-Y61 PolarHBondContact O-N 3.5Å; Y61-C63 VanDerWaalsContact C-N 3.31Å; Y61-C63 PolarHBondContact O-N 3.25Å; Y61-Q64 WeakPolarHBondContact O-CA 3.29Å; Y61-Q64 VanDerWaalsContact O-CB 3.3Å; Y61-Q64 WeakPolarHBondContact O-CB 3.4Å; Y61-Q64 PolarHBondContact O-N 2.9Å; Y61-S65 PolarHBondContact O-N 3.33Å; Y61-S65 PolarHBondContact O-OG 3.29Å; Y61-E395 HydrophobicContact CD1-CG 4.31Å; Y61-E395 HydrophobicContact CD2-CB 4.43Å; Y61-E395 HydrophobicContact CE1-CB 4.07Å; Y61-E395 HydrophobicContact CE1-CG 3.56Å; Y61-E395 VanDerWaalsContact CE2-CA 3.47Å; Y61-E395 HydrophobicContact CE2-CB 3.72Å; Y61-E395 HydrophobicContact CE2-CG 4.18Å; Y61-E395 VanDerWaalsContact CZ-CB 3.5Å; Y61-E395 VanDerWaalsContact CZ-CG 3.48Å; Y61-E395 WeakPolarHBondContact OH-CB 3.43Å; Y61-E395 WeakPolarHBondContact OH-CG 3.45Å; Y61-E395 PolarHBondContact OH-OE1 2.98Å |
| 62 | L | 88 | Confident | 86.6 | Confident | 11 Ų | 11 | 13.2 Ų | 13.2 | 6% | 0.058 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -64.8 | -35.4 | 177.4 | -70.7 | 176.1 | 0 | 0 | 0 | 112.3 | R58 F59 Q64 S65 H66 F71 D271 Q275 | R58-L62 HydrophobicContact CG-CD1 4Å; R58-L62 HydrophobicContact CG-CG 4.33Å; R58-L62 WeakPolarHBondContact O-CB 3.08Å; R58-L62 VanDerWaalsContact O-CG 3.28Å; R58-L62 WeakPolarHBondContact O-CG 3.2Å; R58-L62 PolarHBondContact O-N 2.75Å; F59-L62 PolarHBondContact O-N 2.69Å; L62-Q64 VanDerWaalsContact C-N 3.3Å; L62-S65 PolarHBondContact O-OG 3.5Å; L62-H66 WeakPolarHBondContact O-CB 3.3Å; L62-H66 PolarHBondContact O-CD2 2.71Å; L62-H66 PolarHBondContact O-N 3.22Å; L62-H66 VanDerWaalsContact O-N 3.13Å; L62-F71 HydrophobicContact CB-CD1 4.36Å; L62-F71 HydrophobicContact CB-CE1 3.81Å; L62-F71 HydrophobicContact CB-CE2 4.12Å; L62-F71 HydrophobicContact CB-CZ 3.67Å; L62-F71 HydrophobicContact CD1-CZ 3.97Å; L62-F71 HydrophobicContact CG-CZ 4.4Å; L62-D271 HydrophobicContact CD2-CB 4.18Å; L62-Q275 HydrophobicContact CD1-CB 3.96Å; L62-Q275 HydrophobicContact CD1-CG 4.06Å |
| 63 | C | 88.6 | Confident | 86.8 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58.5 | -45.7 | 169 | -73 | 0 | 0 | 0 | 0 | 110.6 | F59 P60 Y61 G68 L255 | F59-C63 PolarHBondContact O-N 2.91Å; F59-C63 PolarHBondContact O-SG 3.39Å; F59-C63 VanDerWaalsContact O-SG 3.42Å; P60-C63 WeakPolarHBondContact O-CB 3.38Å; P60-C63 PolarHBondContact O-N 3.42Å; Y61-C63 VanDerWaalsContact C-N 3.31Å; Y61-C63 PolarHBondContact O-N 3.25Å; C63-G68 CarbonylContact O-C 3.54Å; C63-G68 WeakPolarHBondContact O-CA 3.43Å; C63-G68 PolarHBondContact O-N 3.21Å; C63-L255 HydrophobicContact CB-CD1 4.02Å |
| 64 | Q | 83.6 | Confident | 87.2 | Confident | 15 Ų | 15 | 16.7 Ų | 16.7 | 7% | 0.07 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.2 | -46.4 | -179.4 | -161 | 177.2 | 14 | 0 | 0 | 112.9 | P60 Y61 L62 H66 Y254 Y323 L390 | P60-Q64 PolarHBondContact O-N 3.35Å; Y61-Q64 WeakPolarHBondContact O-CA 3.29Å; Y61-Q64 VanDerWaalsContact O-CB 3.3Å; Y61-Q64 WeakPolarHBondContact O-CB 3.4Å; Y61-Q64 PolarHBondContact O-N 2.9Å; L62-Q64 VanDerWaalsContact C-N 3.3Å; Q64-H66 VanDerWaalsContact C-N 3.29Å; Q64-H66 PolarHBondContact O-N 3.02Å; Q64-Y254 HydrophobicContact CG-CE1 4.07Å; Q64-Y323 VanDerWaalsContact CA-OH 3.23Å; Q64-Y323 WeakPolarHBondContact CA-OH 3.2Å; Q64-Y323 WeakPolarHBondContact CB-OH 3.3Å; Q64-Y323 PolarHBondContact N-OH 3.49Å; Q64-L390 PolarHBondContact NE2-O 3.18Å |
| 65 | S | 83.9 | Confident | 87.6 | Confident | 52 Ų | 52 | 15.7 Ų | 15.7 | 36% | 0.364 | 9% | 0.085 | S | C | . | . | H | α-helix | trans | -71.4 | -25.6 | -175.6 | 65.2 | 0 | 0 | 0 | 0 | 113.1 | Y61 L62 | Y61-S65 PolarHBondContact O-N 3.33Å; Y61-S65 PolarHBondContact O-OG 3.29Å; L62-S65 PolarHBondContact O-OG 3.5Å |
| 66 | H | 89.1 | Confident | 87.9 | Confident | 13 Ų | 13 | 19.4 Ų | 19.4 | 6% | 0.06 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | 51.5 | -174.3 | -66.1 | -68.4 | 0 | 0 | 0 | 112.5 | L62 Q64 F71 E262 T268 D271 | L62-H66 WeakPolarHBondContact O-CB 3.3Å; L62-H66 PolarHBondContact O-CD2 2.71Å; L62-H66 PolarHBondContact O-N 3.22Å; L62-H66 VanDerWaalsContact O-N 3.13Å; Q64-H66 VanDerWaalsContact C-N 3.29Å; Q64-H66 PolarHBondContact O-N 3.02Å; H66-F71 HydrophobicContact CB-CB 4.03Å; H66-F71 HydrophobicContact CB-CD2 3.61Å; H66-F71 HydrophobicContact CB-CE2 4.49Å; H66-F71 HydrophobicContact CB-CG 4.17Å; H66-F71 AromaticContact CD2-CD2 3.94Å; H66-F71 AromaticContact CD2-CE2 3.99Å; H66-F71 PolarHBondContact O-N 3.45Å; H66-E262 VanDerWaalsContact C-CG 3.44Å; H66-E262 HydrophobicContact CB-CG 4.26Å; H66-E262 IonicContact ND1-OE1 2.73Å; H66-T268 HydrophobicContact CB-CG2 4.11Å; H66-T268 PolarHBondContact ND1-OG1 2.9Å; H66-D271 IonicContact CD2-OD2 3.81Å; H66-D271 IonicContact CE1-OD2 3.94Å; H66-D271 PolarHBondContact CE1-OD2 3.08Å; H66-D271 VanDerWaalsContact CE1-OD2 3.32Å; H66-D271 IonicContact NE2-OD2 3.38Å; H66-D271 PolarHBondContact NE2-OD2 2.8Å |
| 67 | G | 83.6 | Confident | 88.5 | Confident | 15 Ų | 15 | 22.6 Ų | 22.6 | 16% | 0.155 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | 27 | 166.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | G69 A70 D259 | G67-G69 PolarHBondContact O-N 3.36Å; G67-G69 VanDerWaalsContact O-N 3.14Å; G67-A70 VanDerWaalsContact O-CB 3.32Å; G67-A70 WeakPolarHBondContact O-CB 3.28Å; G67-A70 PolarHBondContact O-N 2.92Å; G67-A70 VanDerWaalsContact O-N 3.1Å; G67-D259 PolarHBondContact O-N 3.42Å; G67-D259 VanDerWaalsContact O-N 3.08Å |
| 68 | G | 84.3 | Confident | 89.1 | Confident | 2 Ų | 2 | 22.2 Ų | 22.2 | 2% | 0.021 | 12% | 0.12 | C | C | . | . | B | Isolated β-bridge | trans | 62.5 | -112.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | C63 A70 F71 L255 | C63-G68 CarbonylContact O-C 3.54Å; C63-G68 WeakPolarHBondContact O-CA 3.43Å; C63-G68 PolarHBondContact O-N 3.21Å; G68-A70 PolarHBondContact O-N 3.32Å; G68-F71 PolarHBondContact O-N 3.44Å; G68-L255 CarbonylContact C-O 3.46Å |
| 69 | G | 84.2 | Confident | 89.5 | Confident | 9 Ų | 9 | 20.9 Ų | 20.9 | 9% | 0.093 | 12% | 0.115 | C | C | . | . | G | 310 helix | trans | -66.9 | -18.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | G67 F71 M72 L255 | G67-G69 PolarHBondContact O-N 3.36Å; G67-G69 VanDerWaalsContact O-N 3.14Å; G69-F71 PolarHBondContact O-N 3.47Å; G69-M72 WeakPolarHBondContact O-CB 3.34Å; G69-M72 PolarHBondContact O-N 2.95Å; G69-L255 WeakPolarHBondContact CA-O 3.21Å; G69-L255 PolarHBondContact N-O 3.21Å |
| 70 | A | 90.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -62.1 | -42.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | G67 G68 M72 I73 P74 P258 D259 L263 | G67-A70 VanDerWaalsContact O-CB 3.32Å; G67-A70 WeakPolarHBondContact O-CB 3.28Å; G67-A70 PolarHBondContact O-N 2.92Å; G67-A70 VanDerWaalsContact O-N 3.1Å; G68-A70 PolarHBondContact O-N 3.32Å; A70-M72 PolarHBondContact O-N 3.24Å; A70-M72 VanDerWaalsContact O-N 3.16Å; A70-I73 WeakPolarHBondContact O-CB 3.18Å; A70-I73 PolarHBondContact O-N 2.99Å; A70-I73 VanDerWaalsContact O-N 3.09Å; A70-P74 WeakPolarHBondContact O-CD 3.44Å; A70-P258 HydrophobicContact CB-CB 4.29Å; A70-D259 WeakPolarHBondContact CB-O 3.46Å; A70-L263 HydrophobicContact CB-CD2 4.19Å; A70-L263 HydrophobicContact CB-CG 4.29Å; A70-L263 WeakPolarHBondContact O-CD2 3.49Å |
| 71 | F | 92.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -58.6 | -27.4 | 178.4 | -175.5 | -99.8 | 0 | 0 | 0 | 114.1 | F59 L62 H66 G68 G69 I73 P74 F75 T268 D271 A272 | F59-F71 HydrophobicContact CD2-CE1 4.26Å; F59-F71 HydrophobicContact CE2-CD1 4.42Å; F59-F71 HydrophobicContact CE2-CE1 4.08Å; L62-F71 HydrophobicContact CB-CD1 4.36Å; L62-F71 HydrophobicContact CB-CE1 3.81Å; L62-F71 HydrophobicContact CB-CE2 4.12Å; L62-F71 HydrophobicContact CB-CZ 3.67Å; L62-F71 HydrophobicContact CD1-CZ 3.97Å; L62-F71 HydrophobicContact CG-CZ 4.4Å; H66-F71 HydrophobicContact CB-CB 4.03Å; H66-F71 HydrophobicContact CB-CD2 3.61Å; H66-F71 HydrophobicContact CB-CE2 4.49Å; H66-F71 HydrophobicContact CB-CG 4.17Å; H66-F71 AromaticContact CD2-CD2 3.94Å; H66-F71 AromaticContact CD2-CE2 3.99Å; H66-F71 PolarHBondContact O-N 3.45Å; G68-F71 PolarHBondContact O-N 3.44Å; G69-F71 PolarHBondContact O-N 3.47Å; F71-I73 PolarHBondContact O-N 2.83Å; F71-P74 WeakPolarHBondContact O-CD 3.22Å; F71-P74 VanDerWaalsContact O-CG 3.31Å; F71-P74 WeakPolarHBondContact O-CG 3.29Å; F71-F75 HydrophobicContact CE1-CB 4.3Å; F71-F75 WeakPolarHBondContact O-CB 3.24Å; F71-F75 PolarHBondContact O-N 3.03Å; F71-T268 HydrophobicContact CD2-CG2 4.24Å; F71-D271 HydrophobicContact CE2-CB 4.41Å; F71-A272 HydrophobicContact CD2-CB 4.46Å; F71-A272 HydrophobicContact CE2-CB 3.74Å; F71-A272 HydrophobicContact CZ-CB 3.94Å |
| 72 | M | 90.5 | Very high | 90.4 | Very high | 26 Ų | 26 | 23.8 Ų | 23.8 | 13% | 0.128 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.6 | -29.1 | 178.8 | -60.1 | -177 | 73.4 | 0 | 0 | 112.3 | G69 A70 L76 F256 V316 | G69-M72 WeakPolarHBondContact O-CB 3.34Å; G69-M72 PolarHBondContact O-N 2.95Å; A70-M72 PolarHBondContact O-N 3.24Å; A70-M72 VanDerWaalsContact O-N 3.16Å; M72-L76 WeakPolarHBondContact O-CB 3.37Å; M72-L76 VanDerWaalsContact O-CG 3.24Å; M72-L76 WeakPolarHBondContact O-CG 3.49Å; M72-L76 PolarHBondContact O-N 2.68Å; M72-F256 HydrophobicContact CE-CE1 4.11Å; M72-F256 HydrophobicContact SD-CD1 4.16Å; M72-F256 HydrophobicContact SD-CE1 3.91Å; M72-V316 HydrophobicContact CE-CB 4.23Å; M72-V316 HydrophobicContact CE-CG1 3.76Å; M72-V316 HydrophobicContact CE-CG2 3.53Å |
| 73 | I | 92.2 | Very high | 90.7 | Very high | 77 Ų | 77 | 23.3 Ų | 23.3 | 40% | 0.395 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -65.5 | -59.5 | -179.7 | -59.4 | 169.2 | 0 | 0 | 0 | 111.3 | A70 F71 F75 L76 I77 L263 | A70-I73 WeakPolarHBondContact O-CB 3.18Å; A70-I73 PolarHBondContact O-N 2.99Å; A70-I73 VanDerWaalsContact O-N 3.09Å; F71-I73 PolarHBondContact O-N 2.83Å; I73-F75 VanDerWaalsContact C-N 3.29Å; I73-F75 PolarHBondContact O-N 2.8Å; I73-L76 PolarHBondContact O-N 2.61Å; I73-I77 HydrophobicContact CG2-CD1 3.88Å; I73-I77 VanDerWaalsContact O-CG1 3.31Å; I73-I77 WeakPolarHBondContact O-CG1 3.28Å; I73-I77 PolarHBondContact O-N 3.24Å; I73-I77 VanDerWaalsContact O-N 3.09Å; I73-L263 HydrophobicContact CD1-CD1 4.12Å |
| 74 | P | 93.8 | Very high | 91 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.2 | -37.3 | 177.4 | 24.2 | -32.2 | 0 | 0 | 0 | 111.6 | A70 F71 L76 I77 L78 L263 T268 W269 A272 | A70-P74 WeakPolarHBondContact O-CD 3.44Å; F71-P74 WeakPolarHBondContact O-CD 3.22Å; F71-P74 VanDerWaalsContact O-CG 3.31Å; F71-P74 WeakPolarHBondContact O-CG 3.29Å; P74-L76 PolarHBondContact O-N 3.14Å; P74-I77 PolarHBondContact O-N 3.15Å; P74-L78 WeakPolarHBondContact O-CB 3.2Å; P74-L78 VanDerWaalsContact O-CG 3.3Å; P74-L78 WeakPolarHBondContact O-CG 3.43Å; P74-L78 PolarHBondContact O-N 3.23Å; P74-L263 HydrophobicContact CG-CD2 4.34Å; P74-T268 HydrophobicContact CG-CG2 4Å; P74-W269 HydrophobicContact CB-CD2 3.79Å; P74-W269 HydrophobicContact CB-CE3 3.61Å; P74-W269 HydrophobicContact CB-CG 4.46Å; P74-W269 HydrophobicContact CB-CH2 4.05Å; P74-W269 HydrophobicContact CB-CZ2 4.2Å; P74-W269 HydrophobicContact CB-CZ3 3.75Å; P74-A272 HydrophobicContact CB-CB 4Å; P74-A272 HydrophobicContact CG-CB 4.21Å |
| 75 | F | 93.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.7 | -49.7 | 176.2 | 175.6 | -101.8 | 0 | 0 | 0 | 112.5 | F59 F71 I73 I77 L78 L79 Q275 V276 | F59-F75 HydrophobicContact CD2-CD2 4.38Å; F59-F75 HydrophobicContact CD2-CE1 4.48Å; F59-F75 HydrophobicContact CD2-CE2 4.2Å; F59-F75 HydrophobicContact CD2-CZ 4.25Å; F59-F75 HydrophobicContact CE2-CB 4.42Å; F59-F75 AromaticContact CE2-CD1 3.58Å; F59-F75 HydrophobicContact CE2-CD1 3.58Å; F59-F75 AromaticContact CE2-CD2 3.88Å; F59-F75 HydrophobicContact CE2-CD2 3.88Å; F59-F75 AromaticContact CE2-CE1 3.66Å; F59-F75 HydrophobicContact CE2-CE1 3.66Å; F59-F75 AromaticContact CE2-CE2 3.96Å; F59-F75 HydrophobicContact CE2-CE2 3.96Å; F59-F75 AromaticContact CE2-CG 3.69Å; F59-F75 HydrophobicContact CE2-CG 3.69Å; F59-F75 AromaticContact CE2-CZ 3.84Å; F59-F75 HydrophobicContact CE2-CZ 3.84Å; F59-F75 HydrophobicContact CZ-CD1 4.05Å; F59-F75 HydrophobicContact CZ-CE1 4.16Å; F59-F75 HydrophobicContact CZ-CG 4.49Å; F71-F75 HydrophobicContact CE1-CB 4.3Å; F71-F75 WeakPolarHBondContact O-CB 3.24Å; F71-F75 PolarHBondContact O-N 3.03Å; I73-F75 VanDerWaalsContact C-N 3.29Å; I73-F75 PolarHBondContact O-N 2.8Å; F75-I77 PolarHBondContact O-N 3.39Å; F75-L78 PolarHBondContact O-N 3.3Å; F75-L79 HydrophobicContact CE1-CD1 3.91Å; F75-L79 HydrophobicContact CZ-CD1 3.93Å; F75-L79 WeakPolarHBondContact O-CB 3.45Å; F75-L79 PolarHBondContact O-N 3.13Å; F75-Q275 HydrophobicContact CD2-CG 4.28Å; F75-Q275 HydrophobicContact CE2-CG 4.05Å; F75-V276 HydrophobicContact CD2-CG2 3.85Å; F75-V276 HydrophobicContact CE2-CG2 3.9Å |
| 76 | L | 92.7 | Very high | 92.2 | Very high | 81 Ų | 81 | 21.1 Ų | 21.1 | 42% | 0.424 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -67.2 | -36.8 | -179.9 | -72.1 | 173.3 | 0 | 0 | 0 | 112.5 | M72 I73 P74 V80 | M72-L76 WeakPolarHBondContact O-CB 3.37Å; M72-L76 VanDerWaalsContact O-CG 3.24Å; M72-L76 WeakPolarHBondContact O-CG 3.49Å; M72-L76 PolarHBondContact O-N 2.68Å; I73-L76 PolarHBondContact O-N 2.61Å; P74-L76 PolarHBondContact O-N 3.14Å; L76-V80 WeakPolarHBondContact O-CG2 3.36Å; L76-V80 PolarHBondContact O-N 3.5Å; L76-V80 VanDerWaalsContact O-N 3.15Å |
| 77 | I | 94.6 | Very high | 92.6 | Very high | 71 Ų | 71 | 20.5 Ų | 20.5 | 36% | 0.364 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -63.6 | -50.5 | 176.1 | -69 | 169.1 | 0 | 0 | 0 | 110.2 | I73 P74 F75 L79 V80 L81 W269 | I73-I77 HydrophobicContact CG2-CD1 3.88Å; I73-I77 VanDerWaalsContact O-CG1 3.31Å; I73-I77 WeakPolarHBondContact O-CG1 3.28Å; I73-I77 PolarHBondContact O-N 3.24Å; I73-I77 VanDerWaalsContact O-N 3.09Å; P74-I77 PolarHBondContact O-N 3.15Å; F75-I77 PolarHBondContact O-N 3.39Å; I77-L79 VanDerWaalsContact C-N 3.34Å; I77-V80 PolarHBondContact O-N 2.87Å; I77-L81 HydrophobicContact CG2-CD1 3.71Å; I77-L81 HydrophobicContact CG2-CG 4.37Å; I77-L81 WeakPolarHBondContact O-CB 3.45Å; I77-L81 WeakPolarHBondContact O-CG 3.45Å; I77-L81 PolarHBondContact O-N 3.46Å; I77-W269 HydrophobicContact CD1-CH2 4.27Å |
| 78 | L | 94.4 | Very high | 93.2 | Very high | 8 Ų | 8 | 19.8 Ų | 19.8 | 4% | 0.042 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.9 | -35.3 | 179.8 | -66.9 | 174.4 | 0 | 0 | 0 | 111.6 | P74 F75 V80 L81 E82 G83 W269 A272 V276 I542 I546 | P74-L78 WeakPolarHBondContact O-CB 3.2Å; P74-L78 VanDerWaalsContact O-CG 3.3Å; P74-L78 WeakPolarHBondContact O-CG 3.43Å; P74-L78 PolarHBondContact O-N 3.23Å; F75-L78 PolarHBondContact O-N 3.3Å; L78-V80 VanDerWaalsContact C-N 3.32Å; L78-V80 PolarHBondContact O-N 3.18Å; L78-L81 PolarHBondContact O-N 3.23Å; L78-E82 WeakPolarHBondContact O-CA 3.35Å; L78-E82 VanDerWaalsContact O-CB 3.24Å; L78-E82 WeakPolarHBondContact O-CB 3.37Å; L78-E82 PolarHBondContact O-N 3.27Å; L78-G83 PolarHBondContact O-N 2.94Å; L78-G83 VanDerWaalsContact O-N 3.13Å; L78-W269 HydrophobicContact CD1-CE3 4.37Å; L78-A272 HydrophobicContact CD1-CB 4Å; L78-V276 HydrophobicContact CB-CG2 4.05Å; L78-I542 HydrophobicContact CD2-CG2 3.61Å; L78-I546 HydrophobicContact CD2-CD1 4.35Å |
| 79 | L | 94.4 | Very high | 93.8 | Very high | 11 Ų | 11 | 19.7 Ų | 19.7 | 6% | 0.058 | 11% | 0.107 | C | C | . | . | I | π-helix | trans | -55.5 | -47.8 | 172.6 | -180 | 146.1 | 0 | 0 | 0 | 111.1 | F75 I77 G83 I84 V276 F280 | F75-L79 HydrophobicContact CE1-CD1 3.91Å; F75-L79 HydrophobicContact CZ-CD1 3.93Å; F75-L79 WeakPolarHBondContact O-CB 3.45Å; F75-L79 PolarHBondContact O-N 3.13Å; I77-L79 VanDerWaalsContact C-N 3.34Å; L79-G83 CarbonylContact O-C 3.47Å; L79-G83 WeakPolarHBondContact O-CA 3.1Å; L79-G83 PolarHBondContact O-N 3.06Å; L79-I84 HydrophobicContact CD2-CD1 4.05Å; L79-I84 HydrophobicContact CD2-CG1 4.2Å; L79-I84 WeakPolarHBondContact O-CG1 3.14Å; L79-I84 PolarHBondContact O-N 3.44Å; L79-V276 HydrophobicContact CB-CG2 4.29Å; L79-F280 HydrophobicContact CD1-CE2 3.72Å; L79-F280 HydrophobicContact CD1-CZ 3.88Å; L79-F280 HydrophobicContact CD2-CZ 4.46Å; L79-F280 HydrophobicContact CG-CE2 3.67Å; L79-F280 HydrophobicContact CG-CZ 3.86Å |
| 80 | V | 95.6 | Very high | 94.3 | Very high | 61 Ų | 61 | 19.3 Ų | 19.3 | 37% | 0.37 | 10% | 0.102 | S | C | . | . | I | π-helix | trans | -76.4 | -38.6 | -178 | 174.8 | 0 | 0 | 0 | 0 | 112.7 | L76 I77 L78 I84 P85 F530 | L76-V80 WeakPolarHBondContact O-CG2 3.36Å; L76-V80 PolarHBondContact O-N 3.5Å; L76-V80 VanDerWaalsContact O-N 3.15Å; I77-V80 PolarHBondContact O-N 2.87Å; L78-V80 VanDerWaalsContact C-N 3.32Å; L78-V80 PolarHBondContact O-N 3.18Å; V80-I84 HydrophobicContact CG2-CD1 4.23Å; V80-P85 WeakPolarHBondContact O-CD 3.24Å; V80-F530 HydrophobicContact CG1-CE2 4.38Å; V80-F530 HydrophobicContact CG1-CZ 4.06Å |
| 81 | L | 95.2 | Very high | 94.6 | Very high | 48 Ų | 48 | 19.3 Ų | 19.3 | 25% | 0.251 | 10% | 0.102 | S | C | . | . | I | π-helix | trans | -87.3 | -20 | -173.7 | -64.8 | -176.7 | 0 | 0 | 0 | 114.2 | I77 L78 I538 S539 I542 | I77-L81 HydrophobicContact CG2-CD1 3.71Å; I77-L81 HydrophobicContact CG2-CG 4.37Å; I77-L81 WeakPolarHBondContact O-CB 3.45Å; I77-L81 WeakPolarHBondContact O-CG 3.45Å; I77-L81 PolarHBondContact O-N 3.46Å; L78-L81 PolarHBondContact O-N 3.23Å; L81-I538 HydrophobicContact CB-CG2 4.37Å; L81-I538 HydrophobicContact CD1-CG2 4.36Å; L81-I538 HydrophobicContact CD2-CG2 4.37Å; L81-S539 WeakPolarHBondContact O-CB 3.4Å; L81-S539 PolarHBondContact O-OG 3.1Å; L81-S539 VanDerWaalsContact O-OG 3.08Å; L81-I542 HydrophobicContact CB-CD1 3.82Å; L81-I542 HydrophobicContact CD1-CD1 4.06Å |
| 82 | E | 92.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | I | π-helix | trans | -128.1 | -51.5 | -174.6 | -175.5 | 172.7 | -152.4 | 0 | 0 | 112.2 | L78 P85 L86 F277 M543 I546 | L78-E82 WeakPolarHBondContact O-CA 3.35Å; L78-E82 VanDerWaalsContact O-CB 3.24Å; L78-E82 WeakPolarHBondContact O-CB 3.37Å; L78-E82 PolarHBondContact O-N 3.27Å; E82-P85 WeakPolarHBondContact O-CD 3.41Å; E82-L86 VanDerWaalsContact O-CB 3.31Å; E82-L86 WeakPolarHBondContact O-CB 3.17Å; E82-L86 PolarHBondContact O-N 3.44Å; E82-L86 VanDerWaalsContact O-N 3.12Å; E82-F277 VanDerWaalsContact CD-CE2 3.45Å; E82-F277 HydrophobicContact CG-CE2 4.04Å; E82-F277 HydrophobicContact CG-CZ 4.25Å; E82-F277 WeakPolarHBondContact OE1-CE2 3.26Å; E82-F277 WeakPolarHBondContact OE1-CZ 3.27Å; E82-M543 HydrophobicContact CG-CE 3.85Å; E82-M543 HydrophobicContact CG-CG 4.43Å; E82-M543 WeakPolarHBondContact OE1-CG 3.21Å; E82-I546 WeakPolarHBondContact OE2-CD1 3.38Å |
| 83 | G | 94.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.096 | C | C | . | . | I | π-helix | trans | -61.2 | -57.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L78 L79 L86 L87 | L78-G83 PolarHBondContact O-N 2.94Å; L78-G83 VanDerWaalsContact O-N 3.13Å; L79-G83 CarbonylContact O-C 3.47Å; L79-G83 WeakPolarHBondContact O-CA 3.1Å; L79-G83 PolarHBondContact O-N 3.06Å; G83-L86 PolarHBondContact O-N 3.14Å; G83-L87 VanDerWaalsContact O-CB 3.31Å; G83-L87 WeakPolarHBondContact O-CB 3.49Å; G83-L87 PolarHBondContact O-N 3.31Å |
| 84 | I | 95.6 | Very high | 95.2 | Very high | 21 Ų | 21 | 14.4 Ų | 14.4 | 11% | 0.108 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -59.8 | -48 | -178.1 | -61 | -180 | 0 | 0 | 0 | 112 | L79 V80 L86 L87 H88 W531 | L79-I84 HydrophobicContact CD2-CD1 4.05Å; L79-I84 HydrophobicContact CD2-CG1 4.2Å; L79-I84 WeakPolarHBondContact O-CG1 3.14Å; L79-I84 PolarHBondContact O-N 3.44Å; V80-I84 HydrophobicContact CG2-CD1 4.23Å; I84-L86 PolarHBondContact O-N 3.19Å; I84-L87 PolarHBondContact O-N 2.94Å; I84-H88 WeakPolarHBondContact O-CB 3.44Å; I84-H88 PolarHBondContact O-N 3.31Å; I84-W531 HydrophobicContact CG2-CH2 3.48Å; I84-W531 VanDerWaalsContact CG2-CH2 3.48Å; I84-W531 HydrophobicContact CG2-CZ3 3.74Å |
| 85 | P | 95.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.8 | -42.2 | 177.4 | -26.3 | 37.1 | 0 | 0 | 0 | 113.5 | V80 E82 L89 T534 W535 | V80-P85 WeakPolarHBondContact O-CD 3.24Å; E82-P85 WeakPolarHBondContact O-CD 3.41Å; P85-L89 WeakPolarHBondContact O-CB 3.25Å; P85-L89 PolarHBondContact O-N 3.25Å; P85-L89 VanDerWaalsContact O-N 3.1Å; P85-T534 HydrophobicContact CG-CG2 3.89Å; P85-W535 PolarHBondContact O-NE1 3.09Å |
| 86 | L | 95.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -70.4 | -41.3 | -179.4 | -169.4 | 62.7 | 0 | 0 | 0 | 111.3 | E82 G83 I84 H88 L89 E90 F277 L282 M503 M543 | E82-L86 VanDerWaalsContact O-CB 3.31Å; E82-L86 WeakPolarHBondContact O-CB 3.17Å; E82-L86 PolarHBondContact O-N 3.44Å; E82-L86 VanDerWaalsContact O-N 3.12Å; G83-L86 PolarHBondContact O-N 3.14Å; I84-L86 PolarHBondContact O-N 3.19Å; L86-H88 PolarHBondContact O-N 3.07Å; L86-L89 WeakPolarHBondContact O-CB 3.31Å; L86-L89 PolarHBondContact O-N 3.37Å; L86-E90 PolarHBondContact O-N 3.08Å; L86-F277 HydrophobicContact CD2-CD1 4.36Å; L86-F277 HydrophobicContact CD2-CE1 3.56Å; L86-F277 HydrophobicContact CD2-CZ 4.06Å; L86-L282 HydrophobicContact CB-CD1 4.2Å; L86-L282 HydrophobicContact CB-CD2 4.35Å; L86-L282 HydrophobicContact CD2-CB 3.98Å; L86-L282 HydrophobicContact CD2-CD1 4.04Å; L86-L282 HydrophobicContact CD2-CD2 4.5Å; L86-L282 HydrophobicContact CD2-CG 4.36Å; L86-L282 HydrophobicContact CG-CD1 4.4Å; L86-L282 HydrophobicContact CG-CD2 4.24Å; L86-M503 HydrophobicContact CD1-CG 3.94Å; L86-M543 HydrophobicContact CD1-CE 4.44Å; L86-M543 HydrophobicContact CD2-CE 4.12Å |
| 87 | L | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -58.5 | -48.1 | 175.2 | -176.4 | 65.9 | 0 | 0 | 0 | 112.1 | G83 I84 L89 E90 F91 F280 L282 L287 A304 I307 S308 | G83-L87 VanDerWaalsContact O-CB 3.31Å; G83-L87 WeakPolarHBondContact O-CB 3.49Å; G83-L87 PolarHBondContact O-N 3.31Å; I84-L87 PolarHBondContact O-N 2.94Å; L87-L89 VanDerWaalsContact C-N 3.27Å; L87-L89 PolarHBondContact O-N 3.42Å; L87-E90 PolarHBondContact O-N 3.08Å; L87-F91 HydrophobicContact CD1-CE1 4Å; L87-F91 HydrophobicContact CD1-CE2 4Å; L87-F91 HydrophobicContact CD1-CZ 3.66Å; L87-F91 HydrophobicContact CD2-CE2 4.23Å; L87-F91 HydrophobicContact CG-CD2 4.36Å; L87-F91 HydrophobicContact CG-CE2 3.93Å; L87-F91 HydrophobicContact CG-CZ 4.13Å; L87-F91 PolarHBondContact O-N 3.47Å; L87-F280 HydrophobicContact CD2-CD1 3.89Å; L87-F280 HydrophobicContact CD2-CE1 3.94Å; L87-L282 HydrophobicContact CB-CD2 3.96Å; L87-L282 HydrophobicContact CD1-CD2 4.07Å; L87-L287 HydrophobicContact CD1-CD1 3.46Å; L87-L287 VanDerWaalsContact CD1-CD1 3.46Å; L87-A304 HydrophobicContact CD2-CB 4.36Å; L87-A304 HydrophobicContact CG-CB 4.35Å; L87-I307 HydrophobicContact CD2-CB 4.49Å; L87-I307 HydrophobicContact CD2-CG2 4.28Å; L87-S308 VanDerWaalsContact CD2-OG 3.31Å; L87-S308 WeakPolarHBondContact CD2-OG 3.31Å |
| 88 | H | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -62.1 | -38.8 | 178.3 | -177.6 | -165.4 | 0 | 0 | 0 | 111.3 | I84 L86 A92 A304 W531 W535 | I84-H88 WeakPolarHBondContact O-CB 3.44Å; I84-H88 PolarHBondContact O-N 3.31Å; L86-H88 PolarHBondContact O-N 3.07Å; H88-A92 VanDerWaalsContact O-CB 3.28Å; H88-A92 WeakPolarHBondContact O-CB 3.41Å; H88-A92 PolarHBondContact O-N 3.26Å; H88-A304 HydrophobicContact CB-CB 3.76Å; H88-W531 HydrophobicContact CB-CH2 4.08Å; H88-W531 HydrophobicContact CB-CZ3 3.83Å; H88-W531 AromaticContact ND1-CD2 3.69Å; H88-W531 AromaticContact ND1-CE2 3.74Å; H88-W531 AromaticContact ND1-CE3 3.54Å; H88-W531 AromaticContact ND1-CH2 3.52Å; H88-W531 AromaticContact ND1-CZ2 3.68Å; H88-W531 AromaticContact ND1-CZ3 3.45Å; H88-W531 WeakPolarHBondContact ND1-CZ3 3.34Å; H88-W535 HydrophobicContact CB-CZ2 4.25Å; H88-W535 AromaticContact CE1-CH2 3.77Å; H88-W535 AromaticContact CG-CZ2 3.88Å; H88-W535 AromaticContact ND1-CH2 3.66Å; H88-W535 AromaticContact ND1-CZ2 3.45Å; H88-W535 WeakPolarHBondContact ND1-CZ2 3.43Å |
| 89 | L | 96.2 | Very high | 94.9 | Very high | 1 Ų | 1 | 11.8 Ų | 11.8 | 1% | 0.005 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -63.5 | -45.4 | 176.6 | -177.2 | 158.3 | 0 | 0 | 0 | 111.8 | P85 L86 L87 A92 I93 M503 V506 | P85-L89 WeakPolarHBondContact O-CB 3.25Å; P85-L89 PolarHBondContact O-N 3.25Å; P85-L89 VanDerWaalsContact O-N 3.1Å; L86-L89 WeakPolarHBondContact O-CB 3.31Å; L86-L89 PolarHBondContact O-N 3.37Å; L87-L89 VanDerWaalsContact C-N 3.27Å; L87-L89 PolarHBondContact O-N 3.42Å; L89-A92 PolarHBondContact O-N 3.41Å; L89-I93 WeakPolarHBondContact O-CB 3.43Å; L89-I93 VanDerWaalsContact O-CG2 3.32Å; L89-I93 WeakPolarHBondContact O-CG2 3.47Å; L89-I93 PolarHBondContact O-N 3.45Å; L89-M503 HydrophobicContact CD1-CG 3.96Å; L89-V506 HydrophobicContact CD1-CB 4.01Å; L89-V506 HydrophobicContact CD1-CG1 4.19Å; L89-V506 HydrophobicContact CD1-CG2 4.36Å; L89-V506 HydrophobicContact CD2-CB 4.3Å; L89-V506 HydrophobicContact CD2-CG2 3.72Å; L89-V506 HydrophobicContact CG-CB 4.29Å; L89-V506 HydrophobicContact CG-CG1 4.27Å; L89-V506 HydrophobicContact CG-CG2 4.2Å |
| 90 | E | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -61.9 | -44.3 | 177.3 | -79.2 | -165.2 | -146.5 | 0 | 0 | 112.7 | L86 L87 I93 G94 A283 I288 | L86-E90 PolarHBondContact O-N 3.08Å; L87-E90 PolarHBondContact O-N 3.08Å; E90-I93 WeakPolarHBondContact O-CG2 3.36Å; E90-G94 PolarHBondContact O-N 3.12Å; E90-A283 PolarHBondContact OE1-N 2.87Å; E90-I288 HydrophobicContact CB-CG1 3.93Å; E90-I288 HydrophobicContact CG-CD1 4.23Å; E90-I288 HydrophobicContact CG-CG1 3.95Å |
| 91 | F | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -62.9 | -50.9 | 176.3 | -72.2 | -13.2 | 0 | 0 | 0 | 111.8 | C46 L87 I93 G94 Q95 L287 S291 C300 D303 A304 I307 | C46-F91 HydrophobicContact CB-CZ 4.35Å; L87-F91 HydrophobicContact CD1-CE1 4Å; L87-F91 HydrophobicContact CD1-CE2 4Å; L87-F91 HydrophobicContact CD1-CZ 3.66Å; L87-F91 HydrophobicContact CD2-CE2 4.23Å; L87-F91 HydrophobicContact CG-CD2 4.36Å; L87-F91 HydrophobicContact CG-CE2 3.93Å; L87-F91 HydrophobicContact CG-CZ 4.13Å; L87-F91 PolarHBondContact O-N 3.47Å; F91-I93 VanDerWaalsContact C-N 3.35Å; F91-I93 PolarHBondContact O-N 3.36Å; F91-G94 PolarHBondContact O-N 3.19Å; F91-Q95 WeakPolarHBondContact O-CB 3.37Å; F91-Q95 PolarHBondContact O-N 3.04Å; F91-L287 HydrophobicContact CD1-CB 4.36Å; F91-L287 HydrophobicContact CE1-CB 3.89Å; F91-L287 HydrophobicContact CE1-CD1 4.34Å; F91-L287 HydrophobicContact CE1-CD2 3.84Å; F91-L287 HydrophobicContact CE1-CG 4.23Å; F91-L287 HydrophobicContact CZ-CD2 4.26Å; F91-S291 PolarHBondContact O-OG 3.01Å; F91-C300 HydrophobicContact CB-CB 4.2Å; F91-D303 HydrophobicContact CD2-CB 4.37Å; F91-D303 HydrophobicContact CE2-CB 4.42Å; F91-A304 HydrophobicContact CD2-CB 3.89Å; F91-A304 HydrophobicContact CE2-CB 4.26Å; F91-I307 HydrophobicContact CE2-CD1 3.67Å; F91-I307 HydrophobicContact CZ-CD1 3.74Å |
| 92 | A | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -62.3 | -41.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | H88 L89 R96 F515 L519 M522 | H88-A92 VanDerWaalsContact O-CB 3.28Å; H88-A92 WeakPolarHBondContact O-CB 3.41Å; H88-A92 PolarHBondContact O-N 3.26Å; L89-A92 PolarHBondContact O-N 3.41Å; A92-R96 WeakPolarHBondContact O-CB 3.47Å; A92-R96 PolarHBondContact O-N 3.3Å; A92-F515 HydrophobicContact CB-CE2 4.11Å; A92-F515 HydrophobicContact CB-CZ 3.62Å; A92-L519 HydrophobicContact CB-CD2 3.68Å; A92-M522 HydrophobicContact CB-CE 4.37Å |
| 93 | I | 95.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -71.3 | -38.1 | -179.2 | -159.7 | 64.4 | 0 | 0 | 0 | 112.1 | L89 E90 F91 L97 V104 I108 V506 F515 | L89-I93 WeakPolarHBondContact O-CB 3.43Å; L89-I93 VanDerWaalsContact O-CG2 3.32Å; L89-I93 WeakPolarHBondContact O-CG2 3.47Å; L89-I93 PolarHBondContact O-N 3.45Å; E90-I93 WeakPolarHBondContact O-CG2 3.36Å; F91-I93 VanDerWaalsContact C-N 3.35Å; F91-I93 PolarHBondContact O-N 3.36Å; I93-L97 HydrophobicContact CD1-CD1 3.75Å; I93-L97 HydrophobicContact CD1-CG 4.18Å; I93-L97 HydrophobicContact CG1-CD1 3.93Å; I93-L97 WeakPolarHBondContact O-CB 3.29Å; I93-L97 PolarHBondContact O-N 3.02Å; I93-V104 HydrophobicContact CG1-CG1 3.78Å; I93-V104 HydrophobicContact CG2-CG1 4.28Å; I93-I108 HydrophobicContact CD1-CD1 4.19Å; I93-I108 HydrophobicContact CG1-CD1 4.33Å; I93-V506 HydrophobicContact CD1-CG2 4.44Å; I93-V506 HydrophobicContact CG1-CG2 4.4Å; I93-F515 HydrophobicContact CB-CE2 4.48Å; I93-F515 HydrophobicContact CD1-CD2 4.47Å; I93-F515 HydrophobicContact CD1-CE2 4.2Å |
| 94 | G | 94.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -62.5 | -48.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | E90 F91 R98 S292 | E90-G94 PolarHBondContact O-N 3.12Å; F91-G94 PolarHBondContact O-N 3.19Å; G94-R98 PolarHBondContact O-N 3.36Å; G94-S292 WeakPolarHBondContact O-CA 3.42Å; G94-S292 WeakPolarHBondContact O-CB 3.42Å |
| 95 | Q | 95.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -63.3 | -42.1 | 177.6 | -169.8 | 175.4 | -49.6 | 0 | 0 | 112 | F91 R98 S295 V296 N298 M522 | F91-Q95 WeakPolarHBondContact O-CB 3.37Å; F91-Q95 PolarHBondContact O-N 3.04Å; Q95-R98 WeakPolarHBondContact O-CD 3.18Å; Q95-S295 PolarHBondContact NE2-O 3.21Å; Q95-V296 PolarHBondContact NE2-O 3.23Å; Q95-N298 PolarHBondContact NE2-O 3Å; Q95-N298 PolarHBondContact OE1-ND2 3.18Å; Q95-M522 HydrophobicContact CB-SD 4.4Å; Q95-M522 HydrophobicContact CG-SD 4.2Å |
| 96 | R | 94.9 | Very high | 94.1 | Very high | 4 Ų | 4 | 12.1 Ų | 12.1 | 2% | 0.015 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -69.3 | -40.2 | -177.9 | 174.9 | 56.9 | -175.7 | 86.7 | -5 | 114 | P17 A92 D518 M522 | P17-R96 PolarHBondContact O-NH1 3.43Å; P17-R96 PolarHBondContact O-NH2 3.39Å; A92-R96 WeakPolarHBondContact O-CB 3.47Å; A92-R96 PolarHBondContact O-N 3.3Å; R96-D518 HydrophobicContact CG-CB 4.12Å; R96-D518 IonicContact CZ-OD1 3.56Å; R96-D518 VanDerWaalsContact NE-CG 3.26Å; R96-D518 IonicContact NE-OD1 3.28Å; R96-D518 PolarHBondContact NE-OD1 3.26Å; R96-D518 IonicContact NE-OD2 2.7Å; R96-D518 IonicContact NH2-OD1 3.41Å; R96-D518 PolarHBondContact NH2-OD1 3.2Å; R96-M522 HydrophobicContact CB-CE 4.07Å; R96-M522 HydrophobicContact CB-SD 3.87Å |
| 97 | L | 92.5 | Very high | 93.9 | Very high | 2 Ų | 2 | 12.5 Ų | 12.5 | 1% | 0.01 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -97.8 | -10.5 | -173.8 | -68.7 | -179.6 | 0 | 0 | 0 | 113.4 | I16 I93 K99 V104 I108 | I16-L97 HydrophobicContact CB-CD2 3.93Å; I16-L97 HydrophobicContact CG2-CD2 3.69Å; I93-L97 HydrophobicContact CD1-CD1 3.75Å; I93-L97 HydrophobicContact CD1-CG 4.18Å; I93-L97 HydrophobicContact CG1-CD1 3.93Å; I93-L97 WeakPolarHBondContact O-CB 3.29Å; I93-L97 PolarHBondContact O-N 3.02Å; L97-K99 VanDerWaalsContact C-N 3.28Å; L97-K99 PolarHBondContact O-N 3.13Å; L97-V104 HydrophobicContact CB-CG2 4.03Å; L97-V104 HydrophobicContact CD1-CB 4.3Å; L97-V104 HydrophobicContact CD1-CG1 3.88Å; L97-V104 HydrophobicContact CD1-CG2 4.3Å; L97-I108 HydrophobicContact CD1-CD1 4.28Å; L97-I108 HydrophobicContact CD1-CG1 3.97Å |
| 98 | R | 90.2 | Very high | 93.7 | Very high | 24 Ų | 24 | 12.5 Ų | 12.5 | 9% | 0.091 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 45.6 | 172.7 | -65.6 | -68.6 | -165.6 | 141 | 5.5 | 111.4 | L22 E26 R33 G94 Q95 S292 N294 S295 | L22-R98 HydrophobicContact CD2-CG 4.19Å; E26-R98 IonicContact OE1-NH2 3.79Å; R33-R98 VanDerWaalsContact NH1-C 3.29Å; R33-R98 PolarHBondContact NH1-O 3.35Å; R33-R98 PolarHBondContact NH2-O 3.47Å; G94-R98 PolarHBondContact O-N 3.36Å; Q95-R98 WeakPolarHBondContact O-CD 3.18Å; R98-S292 VanDerWaalsContact CD-O 3.23Å; R98-S292 WeakPolarHBondContact CD-O 3.44Å; R98-N294 PolarHBondContact NH1-O 2.86Å; R98-N294 PolarHBondContact NH2-O 2.99Å; R98-S295 VanDerWaalsContact NH2-C 3.3Å |
| 99 | K | 89.3 | Confident | 93.4 | Very high | 75 Ų | 75 | 13.8 Ų | 13.8 | 33% | 0.326 | 6% | 0.062 | S | C | . | . | S | Bend | trans | -143.4 | 165.4 | 177.5 | -71 | -177.3 | -173.2 | 176.8 | 0 | 110.7 | L97 V104 S107 | L97-K99 VanDerWaalsContact C-N 3.28Å; L97-K99 PolarHBondContact O-N 3.13Å; K99-V104 HydrophobicContact CB-CG2 4.18Å; K99-S107 PolarHBondContact NZ-OG 2.77Å |
| 100 | G | 88.9 | Confident | 93.1 | Very high | 5 Ų | 5 | 16 Ų | 16 | 5% | 0.052 | 8% | 0.076 | C | C | . | . | trans | -70.4 | 175.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V102 G103 V104 D446 | G100-V102 PolarHBondContact O-N 3.13Å; G100-G103 PolarHBondContact O-N 3Å; G100-G103 VanDerWaalsContact O-N 3.1Å; G100-V104 WeakPolarHBondContact O-CG2 3.24Å; G100-V104 PolarHBondContact O-N 2.87Å; G100-D446 WeakPolarHBondContact CA-OD2 3.45Å; G100-D446 PolarHBondContact N-OD2 2.82Å; G100-D446 VanDerWaalsContact N-OD2 3.14Å | ||
| 101 | S | 91.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -53.2 | -52.4 | -173.6 | 177.8 | 0 | 0 | 0 | 0 | 113.3 | G103 V104 W105 G116 | S101-G103 VanDerWaalsContact C-N 3.34Å; S101-G103 PolarHBondContact O-N 3.2Å; S101-V104 PolarHBondContact O-N 3.43Å; S101-W105 PolarHBondContact O-N 3.01Å; S101-W105 PolarHBondContact OG-NE1 3.49Å; S101-G116 WeakPolarHBondContact OG-CA 3.47Å |
| 102 | V | 93.3 | Very high | 92.7 | Very high | 2 Ų | 2 | 19.2 Ų | 19.2 | 1% | 0.012 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.5 | -41.2 | 178 | 171.1 | 0 | 0 | 0 | 0 | 112.3 | G100 R106 G116 I117 P443 L447 | G100-V102 PolarHBondContact O-N 3.13Å; V102-R106 WeakPolarHBondContact O-CB 3.23Å; V102-R106 PolarHBondContact O-N 3.47Å; V102-R106 VanDerWaalsContact O-N 3.08Å; V102-G116 WeakPolarHBondContact CG2-O 3.46Å; V102-I117 HydrophobicContact CG2-CG1 4.19Å; V102-P443 HydrophobicContact CB-CB 4.24Å; V102-P443 HydrophobicContact CG2-CB 3.71Å; V102-P443 HydrophobicContact CG2-CG 4.39Å; V102-L447 HydrophobicContact CG1-CD2 3.75Å; V102-L447 HydrophobicContact CG1-CG 4.01Å |
| 103 | G | 91.1 | Very high | 92.4 | Very high | 8 Ų | 8 | 19.3 Ų | 19.3 | 8% | 0.082 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.3 | -41.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G100 S101 S107 D446 | G100-G103 PolarHBondContact O-N 3Å; G100-G103 VanDerWaalsContact O-N 3.1Å; S101-G103 VanDerWaalsContact C-N 3.34Å; S101-G103 PolarHBondContact O-N 3.2Å; G103-S107 WeakPolarHBondContact O-CB 3.48Å; G103-S107 PolarHBondContact O-N 3.18Å; G103-S107 VanDerWaalsContact O-N 3.08Å; G103-D446 PolarHBondContact N-OD2 3.37Å |
| 104 | V | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -58.9 | -58.7 | 176.3 | 160 | 0 | 0 | 0 | 0 | 111 | I93 L97 K99 G100 S101 R106 S107 I108 I288 | I93-V104 HydrophobicContact CG1-CG1 3.78Å; I93-V104 HydrophobicContact CG2-CG1 4.28Å; L97-V104 HydrophobicContact CB-CG2 4.03Å; L97-V104 HydrophobicContact CD1-CB 4.3Å; L97-V104 HydrophobicContact CD1-CG1 3.88Å; L97-V104 HydrophobicContact CD1-CG2 4.3Å; K99-V104 HydrophobicContact CB-CG2 4.18Å; G100-V104 WeakPolarHBondContact O-CG2 3.24Å; G100-V104 PolarHBondContact O-N 2.87Å; S101-V104 PolarHBondContact O-N 3.43Å; V104-R106 VanDerWaalsContact C-N 3.33Å; V104-R106 PolarHBondContact O-N 3.41Å; V104-S107 PolarHBondContact O-N 3.33Å; V104-S107 VanDerWaalsContact O-N 3.12Å; V104-I108 HydrophobicContact CG1-CD1 4.35Å; V104-I108 PolarHBondContact O-N 3.3Å; V104-I108 VanDerWaalsContact O-N 3.14Å; V104-I288 HydrophobicContact CB-CG2 4.44Å; V104-I288 HydrophobicContact CG2-CG2 3.79Å |
| 105 | W | 95.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -65.8 | -37.1 | -173.8 | -58.8 | 119.9 | 0 | 0 | 0 | 112 | S101 S107 I108 N109 L112 V115 I288 E502 V506 | S101-W105 PolarHBondContact O-N 3.01Å; S101-W105 PolarHBondContact OG-NE1 3.49Å; W105-S107 PolarHBondContact O-N 2.95Å; W105-I108 HydrophobicContact CE3-CD1 3.82Å; W105-I108 HydrophobicContact CZ3-CD1 3.85Å; W105-I108 PolarHBondContact O-N 3.45Å; W105-N109 PolarHBondContact O-N 3.06Å; W105-N109 VanDerWaalsContact O-N 3.13Å; W105-N109 VanDerWaalsContact O-O 3.04Å; W105-L112 HydrophobicContact CB-CB 4.34Å; W105-L112 WeakPolarHBondContact CB-O 3.33Å; W105-V115 HydrophobicContact CB-CB 4.34Å; W105-V115 HydrophobicContact CD2-CB 4.28Å; W105-V115 HydrophobicContact CD2-CG1 3.99Å; W105-V115 HydrophobicContact CG-CB 3.92Å; W105-V115 HydrophobicContact CG-CG1 4.03Å; W105-I288 HydrophobicContact CZ2-CD1 3.94Å; W105-E502 HydrophobicContact CH2-CB 3.58Å; W105-E502 HydrophobicContact CH2-CG 3.73Å; W105-E502 HydrophobicContact CZ2-CB 3.7Å; W105-E502 VanDerWaalsContact CZ2-CD 3.46Å; W105-E502 HydrophobicContact CZ2-CG 3.29Å; W105-E502 WeakPolarHBondContact CZ2-OE1 3.48Å; W105-E502 HydrophobicContact CZ3-CB 4.43Å; W105-E502 PolarHBondContact NE1-OE1 2.98Å; W105-V506 HydrophobicContact CH2-CG2 3.94Å; W105-V506 HydrophobicContact CZ3-CG2 3.82Å |
| 106 | R | 92.4 | Very high | 92.3 | Very high | 134 Ų | 134 | 19.3 Ų | 19.3 | 51% | 0.506 | 9% | 0.091 | S | C | . | . | H | α-helix | trans | -64.4 | -36.5 | 174.7 | -176.5 | 177.6 | 175.9 | 175 | 0 | 113 | V102 V104 N109 A113 | V102-R106 WeakPolarHBondContact O-CB 3.23Å; V102-R106 PolarHBondContact O-N 3.47Å; V102-R106 VanDerWaalsContact O-N 3.08Å; V104-R106 VanDerWaalsContact C-N 3.33Å; V104-R106 PolarHBondContact O-N 3.41Å; R106-N109 CarbonylContact O-C 3.59Å; R106-A113 HydrophobicContact CB-CB 3.96Å; R106-A113 HydrophobicContact CG-CB 4.35Å |
| 107 | S | 91.5 | Very high | 92.3 | Very high | 8 Ų | 8 | 20.7 Ų | 20.7 | 6% | 0.056 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -69.1 | -40.9 | 178.5 | -99.1 | 0 | 0 | 0 | 0 | 111.8 | R15 K99 G103 V104 W105 | R15-S107 PolarHBondContact NE-O 2.89Å; R15-S107 PolarHBondContact O-OG 3.45Å; K99-S107 PolarHBondContact NZ-OG 2.77Å; G103-S107 WeakPolarHBondContact O-CB 3.48Å; G103-S107 PolarHBondContact O-N 3.18Å; G103-S107 VanDerWaalsContact O-N 3.08Å; V104-S107 PolarHBondContact O-N 3.33Å; V104-S107 VanDerWaalsContact O-N 3.12Å; W105-S107 PolarHBondContact O-N 2.95Å |
| 108 | I | 92.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.8 | -58.7 | 174.5 | -64.7 | 172 | 0 | 0 | 0 | 109.4 | N9 L12 R15 I93 L97 V104 W105 L112 I509 Y510 | N9-I108 PolarHBondContact ND2-O 3.37Å; L12-I108 WeakPolarHBondContact CD1-O 3.37Å; R15-I108 PolarHBondContact NH2-O 3.45Å; R15-I108 VanDerWaalsContact NH2-O 3.13Å; I93-I108 HydrophobicContact CD1-CD1 4.19Å; I93-I108 HydrophobicContact CG1-CD1 4.33Å; L97-I108 HydrophobicContact CD1-CD1 4.28Å; L97-I108 HydrophobicContact CD1-CG1 3.97Å; V104-I108 HydrophobicContact CG1-CD1 4.35Å; V104-I108 PolarHBondContact O-N 3.3Å; V104-I108 VanDerWaalsContact O-N 3.14Å; W105-I108 HydrophobicContact CE3-CD1 3.82Å; W105-I108 HydrophobicContact CZ3-CD1 3.85Å; W105-I108 PolarHBondContact O-N 3.45Å; I108-L112 HydrophobicContact CG2-CD1 4.02Å; I108-I509 HydrophobicContact CG2-CG2 4.17Å; I108-Y510 HydrophobicContact CG1-CD2 4.03Å; I108-Y510 HydrophobicContact CG2-CD2 4.24Å |
| 109 | N | 91.8 | Very high | 92.7 | Very high | 26 Ų | 26 | 19.4 Ų | 19.4 | 14% | 0.139 | 9% | 0.093 | C | C | . | . | trans | -151.1 | 128.9 | 175.8 | -171.1 | -27 | 0 | 0 | 0 | 110 | W105 R106 Y111 L112 I509 | W105-N109 PolarHBondContact O-N 3.06Å; W105-N109 VanDerWaalsContact O-N 3.13Å; W105-N109 VanDerWaalsContact O-O 3.04Å; R106-N109 CarbonylContact O-C 3.59Å; N109-Y111 PolarHBondContact O-N 3.28Å; N109-Y111 WeakPolarHBondContact OD1-CD2 3.33Å; N109-Y111 PolarHBondContact OD1-N 3.28Å; N109-L112 HydrophobicContact CB-CD1 3.81Å; N109-L112 HydrophobicContact CB-CG 4Å; N109-L112 WeakPolarHBondContact O-CB 3.39Å; N109-L112 PolarHBondContact O-N 2.8Å; N109-I509 HydrophobicContact CB-CG2 4.09Å | ||
| 110 | P | 89.8 | Confident | 93 | Very high | 48 Ų | 48 | 17.1 Ų | 17.1 | 31% | 0.312 | 8% | 0.084 | S | C | . | . | G | 310 helix | trans | -54 | -24.7 | 178.8 | -28.8 | 35.5 | 0 | 0 | 0 | 115.6 | L112 | P110-L112 VanDerWaalsContact C-N 3.32Š|
| 111 | Y | 90.5 | Very high | 93.3 | Very high | 50 Ų | 50 | 19.4 Ų | 19.4 | 20% | 0.196 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -73.3 | -21.3 | 175.5 | -59.7 | -67.4 | 0 | 0 | 0 | 113.6 | N109 K605 L606 R609 | N109-Y111 PolarHBondContact O-N 3.28Å; N109-Y111 WeakPolarHBondContact OD1-CD2 3.33Å; N109-Y111 PolarHBondContact OD1-N 3.28Å; Y111-K605 HydrophobicContact CD1-CB 3.54Å; Y111-K605 HydrophobicContact CE1-CB 3.76Å; Y111-L606 HydrophobicContact CD1-CD2 4.21Å; Y111-L606 HydrophobicContact CD1-CG 3.91Å; Y111-L606 HydrophobicContact CE1-CB 4.21Å; Y111-L606 HydrophobicContact CE1-CD2 3.47Å; Y111-L606 VanDerWaalsContact CE1-CD2 3.47Å; Y111-L606 HydrophobicContact CE1-CG 3.5Å; Y111-L606 VanDerWaalsContact CE1-CG 3.5Å; Y111-L606 HydrophobicContact CE2-CD2 4.4Å; Y111-L606 WeakPolarHBondContact OH-CD2 3.4Å; Y111-R609 VanDerWaalsContact OH-CD 3.25Å; Y111-R609 WeakPolarHBondContact OH-CD 3.41Å; Y111-R609 PolarHBondContact OH-NH1 3.31Å |
| 112 | L | 93.1 | Very high | 93.4 | Very high | 17 Ų | 17 | 19.4 Ų | 19.4 | 9% | 0.089 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -88.8 | -0.7 | -176.5 | -65.2 | 174.3 | 0 | 0 | 0 | 113.8 | W105 I108 N109 P110 G114 V115 S505 I509 | W105-L112 HydrophobicContact CB-CB 4.34Å; W105-L112 WeakPolarHBondContact CB-O 3.33Å; I108-L112 HydrophobicContact CG2-CD1 4.02Å; N109-L112 HydrophobicContact CB-CD1 3.81Å; N109-L112 HydrophobicContact CB-CG 4Å; N109-L112 WeakPolarHBondContact O-CB 3.39Å; N109-L112 PolarHBondContact O-N 2.8Å; P110-L112 VanDerWaalsContact C-N 3.32Å; L112-G114 PolarHBondContact O-N 3.18Å; L112-V115 WeakPolarHBondContact O-CB 3.42Å; L112-V115 WeakPolarHBondContact O-CG2 3.42Å; L112-V115 PolarHBondContact O-N 3.11Å; L112-S505 WeakPolarHBondContact CD1-OG 3.46Å; L112-S505 WeakPolarHBondContact CD2-OG 3.47Å; L112-I509 HydrophobicContact CD1-CB 4.47Å; L112-I509 HydrophobicContact CD1-CD1 3.84Å; L112-I509 HydrophobicContact CD1-CG2 4.15Å; L112-I509 HydrophobicContact CD2-CD1 3.92Å; L112-I509 HydrophobicContact CG-CD1 4.26Å |
| 113 | A | 91.6 | Very high | 93.5 | Very high | 3 Ų | 3 | 19.3 Ų | 19.3 | 3% | 0.025 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.2 | -20.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | R106 V115 G116 I117 F601 | R106-A113 HydrophobicContact CB-CB 3.96Å; R106-A113 HydrophobicContact CG-CB 4.35Å; A113-V115 PolarHBondContact O-N 3.39Å; A113-G116 PolarHBondContact O-N 2.99Å; A113-I117 WeakPolarHBondContact O-CG1 3.42Å; A113-I117 PolarHBondContact O-N 3.19Å; A113-F601 HydrophobicContact CB-CD1 4Å; A113-F601 HydrophobicContact CB-CE1 3.55Å; A113-F601 HydrophobicContact CB-CZ 4.11Å |
| 114 | G | 93.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.7 | -27.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L112 I117 A118 | L112-G114 PolarHBondContact O-N 3.18Å; G114-I117 PolarHBondContact O-N 3.08Å; G114-A118 WeakPolarHBondContact O-CB 3.39Å; G114-A118 PolarHBondContact O-N 2.91Å |
| 115 | V | 95.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.8 | -50.9 | 175.6 | -179.9 | 0 | 0 | 0 | 0 | 110.2 | W105 L112 A113 I117 A118 S119 I498 F501 E502 I598 | W105-V115 HydrophobicContact CB-CB 4.34Å; W105-V115 HydrophobicContact CD2-CB 4.28Å; W105-V115 HydrophobicContact CD2-CG1 3.99Å; W105-V115 HydrophobicContact CG-CB 3.92Å; W105-V115 HydrophobicContact CG-CG1 4.03Å; L112-V115 WeakPolarHBondContact O-CB 3.42Å; L112-V115 WeakPolarHBondContact O-CG2 3.42Å; L112-V115 PolarHBondContact O-N 3.11Å; A113-V115 PolarHBondContact O-N 3.39Å; V115-I117 VanDerWaalsContact C-N 3.35Å; V115-I117 PolarHBondContact O-N 3.12Å; V115-A118 WeakPolarHBondContact O-CB 3.46Å; V115-A118 PolarHBondContact O-N 2.94Å; V115-S119 PolarHBondContact O-N 3.31Å; V115-S119 PolarHBondContact O-OG 3.45Å; V115-I498 HydrophobicContact CG1-CG2 4.07Å; V115-F501 HydrophobicContact CG2-CB 4.03Å; V115-E502 HydrophobicContact CG1-CG 3.59Å; V115-I598 HydrophobicContact CG2-CD1 4.36Å; V115-I598 HydrophobicContact CG2-CG1 4.41Å; V115-I598 HydrophobicContact CG2-CG2 4.09Å |
| 116 | G | 94.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -68.9 | -30.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | S101 V102 A113 S119 M120 | S101-G116 WeakPolarHBondContact OG-CA 3.47Å; V102-G116 WeakPolarHBondContact CG2-O 3.46Å; A113-G116 PolarHBondContact O-N 2.99Å; G116-S119 PolarHBondContact O-N 3.36Å; G116-M120 WeakPolarHBondContact O-CB 3.19Å; G116-M120 PolarHBondContact O-N 3.44Å |
| 117 | I | 94.5 | Very high | 93.7 | Very high | 32 Ų | 32 | 16.7 Ų | 16.7 | 16% | 0.164 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -67 | -41.1 | 174.3 | -66.5 | 168.2 | 0 | 0 | 0 | 109.8 | V102 A113 G114 V115 M120 L121 A597 F601 | V102-I117 HydrophobicContact CG2-CG1 4.19Å; A113-I117 WeakPolarHBondContact O-CG1 3.42Å; A113-I117 PolarHBondContact O-N 3.19Å; G114-I117 PolarHBondContact O-N 3.08Å; V115-I117 VanDerWaalsContact C-N 3.35Å; V115-I117 PolarHBondContact O-N 3.12Å; I117-M120 WeakPolarHBondContact O-CB 3.49Å; I117-M120 PolarHBondContact O-N 3.4Å; I117-L121 HydrophobicContact CG2-CD1 4.33Å; I117-L121 WeakPolarHBondContact O-CG 3.44Å; I117-L121 PolarHBondContact O-N 3.04Å; I117-A597 HydrophobicContact CG2-CB 4.48Å; I117-F601 HydrophobicContact CD1-CD2 3.68Å; I117-F601 HydrophobicContact CD1-CE2 3.76Å; I117-F601 HydrophobicContact CD1-CG 4.31Å; I117-F601 HydrophobicContact CD1-CZ 4.45Å |
| 118 | A | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.2 | -47.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | G114 V115 M120 L121 V122 I498 P594 A597 I598 | G114-A118 WeakPolarHBondContact O-CB 3.39Å; G114-A118 PolarHBondContact O-N 2.91Å; V115-A118 WeakPolarHBondContact O-CB 3.46Å; V115-A118 PolarHBondContact O-N 2.94Å; A118-M120 VanDerWaalsContact C-N 3.3Å; A118-M120 PolarHBondContact O-N 2.99Å; A118-L121 PolarHBondContact O-N 3.34Å; A118-L121 VanDerWaalsContact O-N 3.16Å; A118-V122 WeakPolarHBondContact O-CG2 3.5Å; A118-V122 PolarHBondContact O-N 2.92Å; A118-I498 HydrophobicContact CB-CD1 3.69Å; A118-I498 HydrophobicContact CB-CG1 3.7Å; A118-P594 WeakPolarHBondContact CB-O 3.49Å; A118-A597 HydrophobicContact CB-CB 4.4Å; A118-I598 HydrophobicContact CB-CD1 4.35Å; A118-I598 HydrophobicContact CB-CG1 3.99Å |
| 119 | S | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -56.9 | -41.1 | 174.7 | -57.8 | 0 | 0 | 0 | 0 | 112.9 | V115 G116 S123 A283 I498 | V115-S119 PolarHBondContact O-N 3.31Å; V115-S119 PolarHBondContact O-OG 3.45Å; G116-S119 PolarHBondContact O-N 3.36Å; S119-S123 WeakPolarHBondContact O-CB 3.44Å; S119-S123 PolarHBondContact O-N 3.01Å; S119-S123 PolarHBondContact O-OG 3.14Å; S119-A283 VanDerWaalsContact CB-O 3.28Å; S119-A283 WeakPolarHBondContact CB-O 3.41Å; S119-A283 PolarHBondContact OG-O 3.36Å; S119-I498 WeakPolarHBondContact OG-CG2 3.46Å |
| 120 | M | 95.2 | Very high | 93.9 | Very high | 27 Ų | 27 | 16.6 Ų | 16.6 | 13% | 0.133 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -64 | -44.3 | 176.6 | -176.6 | -169.7 | 74 | 0 | 0 | 111.6 | G116 I117 A118 F124 V440 P443 L444 L447 | G116-M120 WeakPolarHBondContact O-CB 3.19Å; G116-M120 PolarHBondContact O-N 3.44Å; I117-M120 WeakPolarHBondContact O-CB 3.49Å; I117-M120 PolarHBondContact O-N 3.4Å; A118-M120 VanDerWaalsContact C-N 3.3Å; A118-M120 PolarHBondContact O-N 2.99Å; M120-F124 WeakPolarHBondContact O-CB 3.39Å; M120-F124 PolarHBondContact O-N 2.99Å; M120-V440 HydrophobicContact CG-CG1 4.48Å; M120-P443 HydrophobicContact CB-CB 4.09Å; M120-P443 HydrophobicContact CB-CG 4.3Å; M120-P443 HydrophobicContact CG-CB 4Å; M120-P443 HydrophobicContact CG-CG 4.46Å; M120-P443 HydrophobicContact SD-CB 3.84Å; M120-L444 HydrophobicContact SD-CD2 4.04Å; M120-L444 HydrophobicContact SD-CG 4.03Å; M120-L447 HydrophobicContact SD-CD1 4.29Å |
| 121 | L | 95 | Very high | 94.2 | Very high | 52 Ų | 52 | 14.3 Ų | 14.3 | 27% | 0.272 | 7% | 0.07 | S | C | . | . | H | α-helix | trans | -64.1 | -43 | 178 | -71.2 | 174.7 | 0 | 0 | 0 | 111.8 | I117 A118 F124 L125 V593 P594 A597 | I117-L121 HydrophobicContact CG2-CD1 4.33Å; I117-L121 WeakPolarHBondContact O-CG 3.44Å; I117-L121 PolarHBondContact O-N 3.04Å; A118-L121 PolarHBondContact O-N 3.34Å; A118-L121 VanDerWaalsContact O-N 3.16Å; L121-F124 PolarHBondContact O-N 3.32Å; L121-L125 WeakPolarHBondContact O-CG 3.34Å; L121-L125 PolarHBondContact O-N 3Å; L121-V593 HydrophobicContact CD1-CG1 4.45Å; L121-P594 HydrophobicContact CB-CB 4.35Å; L121-P594 HydrophobicContact CB-CG 4.27Å; L121-A597 HydrophobicContact CD1-CB 4.47Å |
| 122 | V | 94.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -66 | -46.4 | 177.8 | 177.8 | 0 | 0 | 0 | 0 | 110.9 | A118 F124 L125 V126 F284 P494 L495 I498 P594 | A118-V122 WeakPolarHBondContact O-CG2 3.5Å; A118-V122 PolarHBondContact O-N 2.92Å; V122-F124 PolarHBondContact O-N 3.32Å; V122-L125 PolarHBondContact O-N 3.47Å; V122-V126 HydrophobicContact CG1-CG2 4.01Å; V122-V126 WeakPolarHBondContact O-CB 3.45Å; V122-V126 WeakPolarHBondContact O-CG2 3.42Å; V122-V126 PolarHBondContact O-N 3.29Å; V122-F284 HydrophobicContact CG1-CE1 4.44Å; V122-P494 HydrophobicContact CG2-CB 3.27Å; V122-P494 HydrophobicContact CG2-CG 4.17Å; V122-L495 HydrophobicContact CG1-CD2 3.63Å; V122-L495 HydrophobicContact CG1-CG 4.1Å; V122-I498 HydrophobicContact CG2-CD1 3.75Å; V122-P594 HydrophobicContact CG2-CB 3.78Å; V122-P594 HydrophobicContact CG2-CG 4.33Å |
| 123 | S | 94.7 | Very high | 94.5 | Very high | 1 Ų | 1 | 11.5 Ų | 11.5 | 1% | 0.007 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -58.5 | -38.1 | 176.6 | -65.4 | 0 | 0 | 0 | 0 | 112.3 | S119 G127 F284 | S119-S123 WeakPolarHBondContact O-CB 3.44Å; S119-S123 PolarHBondContact O-N 3.01Å; S119-S123 PolarHBondContact O-OG 3.14Å; S123-G127 PolarHBondContact O-N 3.41Å; S123-F284 WeakPolarHBondContact OG-CD1 3.29Å; S123-F284 PolarHBondContact OG-O 2.75Å |
| 124 | F | 95.2 | Very high | 94.7 | Very high | 46 Ų | 46 | 11.5 Ų | 11.5 | 20% | 0.202 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -64.9 | -54.8 | 173.9 | 177.8 | -102.2 | 0 | 0 | 0 | 111.5 | M120 L121 V122 V126 G127 V128 V440 I466 S467 L470 | M120-F124 WeakPolarHBondContact O-CB 3.39Å; M120-F124 PolarHBondContact O-N 2.99Å; L121-F124 PolarHBondContact O-N 3.32Å; V122-F124 PolarHBondContact O-N 3.32Å; F124-V126 PolarHBondContact O-N 3.32Å; F124-G127 PolarHBondContact O-N 3.47Å; F124-V128 HydrophobicContact CE1-CG2 4.35Å; F124-V128 HydrophobicContact CE2-CG2 4.46Å; F124-V128 HydrophobicContact CZ-CG2 4.29Å; F124-V128 WeakPolarHBondContact O-CG2 3.36Å; F124-V128 PolarHBondContact O-N 3.04Å; F124-V440 HydrophobicContact CB-CG2 3.91Å; F124-I466 HydrophobicContact CE2-CG2 4.3Å; F124-I466 HydrophobicContact CZ-CG2 4.03Å; F124-S467 WeakPolarHBondContact CE2-OG 3.36Å; F124-L470 HydrophobicContact CE1-CD1 3.47Å; F124-L470 VanDerWaalsContact CE1-CD1 3.47Å; F124-L470 HydrophobicContact CZ-CD1 3.39Å |
| 125 | L | 94.4 | Very high | 94.9 | Very high | 29 Ų | 29 | 11.5 Ų | 11.5 | 15% | 0.152 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -59 | -45.4 | -178.6 | -70.7 | 173.9 | 0 | 0 | 0 | 112.1 | L121 V122 V128 Y129 F486 A490 L590 P594 | L121-L125 WeakPolarHBondContact O-CG 3.34Å; L121-L125 PolarHBondContact O-N 3Å; V122-L125 PolarHBondContact O-N 3.47Å; L125-V128 PolarHBondContact O-N 2.9Å; L125-Y129 WeakPolarHBondContact O-CD1 3.38Å; L125-F486 HydrophobicContact CD2-CE1 4.41Å; L125-A490 HydrophobicContact CB-CB 4.31Å; L125-L590 HydrophobicContact CD1-CD2 4.33Å; L125-L590 HydrophobicContact CD2-CD2 4.05Å; L125-P594 HydrophobicContact CD1-CG 4.11Å |
| 126 | V | 93.1 | Very high | 94.9 | Very high | 7 Ų | 7 | 11.5 Ų | 11.5 | 4% | 0.042 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -64 | -44.8 | 177.4 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | V122 F124 V128 Y129 Y130 F284 | V122-V126 HydrophobicContact CG1-CG2 4.01Å; V122-V126 WeakPolarHBondContact O-CB 3.45Å; V122-V126 WeakPolarHBondContact O-CG2 3.42Å; V122-V126 PolarHBondContact O-N 3.29Å; F124-V126 PolarHBondContact O-N 3.32Å; V126-V128 VanDerWaalsContact C-N 3.27Å; V126-V128 PolarHBondContact O-N 3.31Å; V126-Y129 VanDerWaalsContact CA-CE1 3.44Å; V126-Y129 HydrophobicContact CB-CE1 3.98Å; V126-Y129 HydrophobicContact CG1-CE1 3.93Å; V126-Y129 HydrophobicContact CG2-CE1 4.01Å; V126-Y129 WeakPolarHBondContact O-CD1 3.39Å; V126-Y129 PolarHBondContact O-N 3.02Å; V126-Y130 WeakPolarHBondContact O-CB 3.46Å; V126-Y130 PolarHBondContact O-N 3.01Å; V126-F284 HydrophobicContact CB-CE1 3.85Å; V126-F284 HydrophobicContact CB-CZ 4.47Å; V126-F284 HydrophobicContact CG1-CE1 3.84Å; V126-F284 HydrophobicContact CG1-CZ 4.2Å; V126-F284 HydrophobicContact CG2-CE1 3.87Å; V126-F284 HydrophobicContact CG2-CZ 4.17Å |
| 127 | G | 94.3 | Very high | 95.1 | Very high | 4 Ų | 4 | 11.5 Ų | 11.5 | 4% | 0.041 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -58.3 | -35.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | S123 F124 N131 M433 | S123-G127 PolarHBondContact O-N 3.41Å; F124-G127 PolarHBondContact O-N 3.47Å; G127-N131 WeakPolarHBondContact O-CB 3.28Å; G127-N131 PolarHBondContact O-N 3.1Å; G127-N131 VanDerWaalsContact O-N 3.14Å; G127-M433 WeakPolarHBondContact O-CE 3.45Å |
| 128 | V | 94.7 | Very high | 95.1 | Very high | 4 Ų | 4 | 10.6 Ų | 10.6 | 2% | 0.024 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -65.5 | -53.5 | 179.6 | -177.1 | 0 | 0 | 0 | 0 | 111.4 | F124 L125 V126 T132 L470 F474 | F124-V128 HydrophobicContact CE1-CG2 4.35Å; F124-V128 HydrophobicContact CE2-CG2 4.46Å; F124-V128 HydrophobicContact CZ-CG2 4.29Å; F124-V128 WeakPolarHBondContact O-CG2 3.36Å; F124-V128 PolarHBondContact O-N 3.04Å; L125-V128 PolarHBondContact O-N 2.9Å; V126-V128 VanDerWaalsContact C-N 3.27Å; V126-V128 PolarHBondContact O-N 3.31Å; V128-T132 PolarHBondContact O-OG1 3.38Å; V128-L470 HydrophobicContact CG1-CB 4.1Å; V128-F474 HydrophobicContact CG1-CD2 4.49Å; V128-F474 HydrophobicContact CG1-CE2 3.75Å |
| 129 | Y | 93.4 | Very high | 95.2 | Very high | 5 Ų | 5 | 13 Ų | 13 | 2% | 0.02 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -73.9 | -35.9 | -177.2 | 83.2 | -98.2 | 0 | 0 | 0 | 111.6 | L125 V126 N131 T132 I133 L483 F486 D487 | L125-Y129 WeakPolarHBondContact O-CD1 3.38Å; V126-Y129 VanDerWaalsContact CA-CE1 3.44Å; V126-Y129 HydrophobicContact CB-CE1 3.98Å; V126-Y129 HydrophobicContact CG1-CE1 3.93Å; V126-Y129 HydrophobicContact CG2-CE1 4.01Å; V126-Y129 WeakPolarHBondContact O-CD1 3.39Å; V126-Y129 PolarHBondContact O-N 3.02Å; Y129-N131 VanDerWaalsContact C-N 3.3Å; Y129-N131 PolarHBondContact O-N 3.14Å; Y129-T132 WeakPolarHBondContact O-CA 3.45Å; Y129-T132 WeakPolarHBondContact O-CB 3.41Å; Y129-T132 PolarHBondContact O-N 3.41Å; Y129-I133 HydrophobicContact CD2-CD1 4.22Å; Y129-I133 HydrophobicContact CE2-CD1 4.29Å; Y129-I133 PolarHBondContact O-N 2.87Å; Y129-L483 HydrophobicContact CD2-CD2 4.49Å; Y129-L483 HydrophobicContact CD2-CG 4.25Å; Y129-F486 HydrophobicContact CD1-CB 4.01Å; Y129-F486 HydrophobicContact CG-CB 4.13Å; Y129-D487 HydrophobicContact CD2-CB 4.38Å; Y129-D487 HydrophobicContact CE2-CB 3.77Å; Y129-D487 WeakPolarHBondContact CE2-OD1 3.35Å; Y129-D487 PolarHBondContact OH-OD1 2.76Å |
| 130 | Y | 93.8 | Very high | 95.3 | Very high | 23 Ų | 23 | 13 Ų | 13 | 9% | 0.09 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -63 | -37.1 | 179 | -162 | -75.3 | 0 | 0 | 0 | 111.6 | L53 V126 T132 I133 M134 G429 T432 M433 | L53-Y130 HydrophobicContact CB-CE2 4.5Å; L53-Y130 WeakPolarHBondContact CB-OH 3.34Å; L53-Y130 HydrophobicContact CD1-CE1 3.69Å; L53-Y130 HydrophobicContact CD1-CE2 4.34Å; L53-Y130 HydrophobicContact CG-CE1 4.41Å; L53-Y130 WeakPolarHBondContact CG-OH 3.42Å; L53-Y130 PolarHBondContact N-OH 3.36Å; V126-Y130 WeakPolarHBondContact O-CB 3.46Å; V126-Y130 PolarHBondContact O-N 3.01Å; Y130-T132 PolarHBondContact O-N 3.01Å; Y130-I133 WeakPolarHBondContact O-CB 3.38Å; Y130-I133 PolarHBondContact O-N 2.95Å; Y130-M134 HydrophobicContact CD1-CG 4.48Å; Y130-M134 PolarHBondContact O-N 3.17Å; Y130-M134 VanDerWaalsContact O-N 3.17Å; Y130-G429 WeakPolarHBondContact CE1-O 3.3Å; Y130-T432 HydrophobicContact CE1-CG2 4.43Å; Y130-T432 HydrophobicContact CE2-CG2 4.24Å; Y130-T432 PolarHBondContact OH-OG1 3.12Å; Y130-M433 HydrophobicContact CD1-CG 3.8Å; Y130-M433 HydrophobicContact CD1-SD 3.62Å; Y130-M433 HydrophobicContact CE1-CG 4.24Å; Y130-M433 HydrophobicContact CG-SD 4.09Å |
| 131 | N | 95.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 12.9 Ų | 12.9 | 1% | 0.005 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -71.7 | -17.1 | 174.5 | -154.2 | 55.8 | 0 | 0 | 0 | 113.7 | G127 Y129 M134 A135 W206 M433 | G127-N131 WeakPolarHBondContact O-CB 3.28Å; G127-N131 PolarHBondContact O-N 3.1Å; G127-N131 VanDerWaalsContact O-N 3.14Å; Y129-N131 VanDerWaalsContact C-N 3.3Å; Y129-N131 PolarHBondContact O-N 3.14Å; N131-M134 WeakPolarHBondContact O-CB 3.39Å; N131-M134 PolarHBondContact O-N 3.43Å; N131-A135 PolarHBondContact O-N 3.41Å; N131-A135 VanDerWaalsContact O-N 3.14Å; N131-W206 HydrophobicContact CB-CD2 4.49Å; N131-W206 HydrophobicContact CB-CH2 4.09Å; N131-W206 HydrophobicContact CB-CZ2 3.56Å; N131-W206 PolarHBondContact ND2-N 3.45Å; N131-W206 PolarHBondContact ND2-NE1 3.43Å; N131-W206 VanDerWaalsContact ND2-NE1 3.14Å; N131-M433 HydrophobicContact CB-CE 3.87Å; N131-M433 HydrophobicContact CB-SD 4.37Å |
| 132 | T | 95.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 15.9 Ų | 15.9 | 1% | 0.012 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -72.6 | -40.2 | 170.3 | -54 | 0 | 0 | 0 | 0 | 110.5 | V128 Y129 Y130 M134 A135 W136 F474 L483 | V128-T132 PolarHBondContact O-OG1 3.38Å; Y129-T132 WeakPolarHBondContact O-CA 3.45Å; Y129-T132 WeakPolarHBondContact O-CB 3.41Å; Y129-T132 PolarHBondContact O-N 3.41Å; Y130-T132 PolarHBondContact O-N 3.01Å; T132-M134 PolarHBondContact O-N 2.63Å; T132-A135 WeakPolarHBondContact O-CA 3.37Å; T132-A135 VanDerWaalsContact O-CB 3.22Å; T132-A135 WeakPolarHBondContact O-CB 3.44Å; T132-A135 PolarHBondContact O-N 3.39Å; T132-W136 HydrophobicContact CG2-CZ2 4.18Å; T132-W136 PolarHBondContact O-N 3.28Å; T132-F474 HydrophobicContact CG2-CB 3.43Å; T132-F474 VanDerWaalsContact CG2-CB 3.43Å; T132-F474 HydrophobicContact CG2-CD2 4.4Å; T132-F474 HydrophobicContact CG2-CG 4.18Å; T132-F474 WeakPolarHBondContact OG1-CD2 3.11Å; T132-L483 HydrophobicContact CG2-CD1 4Å |
| 133 | I | 94.9 | Very high | 95.6 | Very high | 6 Ų | 6 | 17.3 Ų | 17.3 | 3% | 0.031 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -58.6 | -39.9 | 172.3 | -59.6 | 179.8 | 0 | 0 | 0 | 110.5 | L53 W57 Y129 Y130 A135 W136 I137 L483 | L53-I133 HydrophobicContact CD1-CG2 3.89Å; W57-I133 HydrophobicContact CH2-CG2 3.24Å; W57-I133 HydrophobicContact CZ2-CD1 4.14Å; W57-I133 HydrophobicContact CZ2-CG2 3.67Å; W57-I133 HydrophobicContact CZ3-CG2 4.4Å; Y129-I133 HydrophobicContact CD2-CD1 4.22Å; Y129-I133 HydrophobicContact CE2-CD1 4.29Å; Y129-I133 PolarHBondContact O-N 2.87Å; Y130-I133 WeakPolarHBondContact O-CB 3.38Å; Y130-I133 PolarHBondContact O-N 2.95Å; I133-A135 VanDerWaalsContact C-N 3.3Å; I133-A135 PolarHBondContact O-N 3.12Å; I133-W136 HydrophobicContact CG1-CE3 4.36Å; I133-W136 HydrophobicContact CG1-CZ3 4.45Å; I133-W136 WeakPolarHBondContact O-CB 3.34Å; I133-W136 PolarHBondContact O-N 3.24Å; I133-W136 VanDerWaalsContact O-N 3.15Å; I133-I137 HydrophobicContact CG2-CD1 4.2Å; I133-I137 WeakPolarHBondContact O-CG1 3.17Å; I133-I137 PolarHBondContact O-N 2.99Å; I133-L483 HydrophobicContact CD1-CD2 4.25Å; I133-L483 HydrophobicContact CG1-CD1 3.8Å; I133-L483 HydrophobicContact CG1-CD2 4.21Å |
| 134 | M | 95.6 | Very high | 95.7 | Very high | 2 Ų | 2 | 17.3 Ų | 17.3 | 1% | 0.01 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60 | -38.4 | 172.7 | -70.6 | -64.7 | -74.1 | 0 | 0 | 112.9 | Y130 N131 T132 I137 M138 A205 F426 G429 L430 | Y130-M134 HydrophobicContact CD1-CG 4.48Å; Y130-M134 PolarHBondContact O-N 3.17Å; Y130-M134 VanDerWaalsContact O-N 3.17Å; N131-M134 WeakPolarHBondContact O-CB 3.39Å; N131-M134 PolarHBondContact O-N 3.43Å; T132-M134 PolarHBondContact O-N 2.63Å; M134-I137 PolarHBondContact O-N 3.21Å; M134-I137 HydrophobicContact SD-CD1 4.14Å; M134-M138 WeakPolarHBondContact O-CG 3.43Å; M134-M138 PolarHBondContact O-N 2.99Å; M134-A205 HydrophobicContact CB-CB 4.27Å; M134-F426 HydrophobicContact CE-CB 4.5Å; M134-F426 HydrophobicContact CE-CD2 3.23Å; M134-F426 HydrophobicContact CE-CE2 3.32Å; M134-F426 HydrophobicContact CE-CG 3.87Å; M134-F426 HydrophobicContact CE-CZ 4.06Å; M134-F426 WeakPolarHBondContact CE-O 3.33Å; M134-F426 HydrophobicContact SD-CD2 4.29Å; M134-G429 WeakPolarHBondContact SD-CA 3.42Å; M134-L430 HydrophobicContact CE-CB 3.86Å |
| 135 | A | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.9 | -40.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | N131 T132 I133 M138 W139 A201 L202 A205 | N131-A135 PolarHBondContact O-N 3.41Å; N131-A135 VanDerWaalsContact O-N 3.14Å; T132-A135 WeakPolarHBondContact O-CA 3.37Å; T132-A135 VanDerWaalsContact O-CB 3.22Å; T132-A135 WeakPolarHBondContact O-CB 3.44Å; T132-A135 PolarHBondContact O-N 3.39Å; I133-A135 VanDerWaalsContact C-N 3.3Å; I133-A135 PolarHBondContact O-N 3.12Å; A135-M138 PolarHBondContact O-N 3.33Å; A135-W139 WeakPolarHBondContact O-CB 3.38Å; A135-W139 PolarHBondContact O-N 3.45Å; A135-A201 HydrophobicContact CB-CB 4.12Å; A135-L202 HydrophobicContact CB-CB 4.17Å; A135-L202 HydrophobicContact CB-CD1 4.12Å; A135-A205 HydrophobicContact CB-CB 4.27Å |
| 136 | W | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.2 | -43.8 | 174.6 | -60.9 | -19.7 | 0 | 0 | 0 | 112.1 | T132 I133 M138 W139 Y140 W177 L182 M198 T397 F401 L483 | T132-W136 HydrophobicContact CG2-CZ2 4.18Å; T132-W136 PolarHBondContact O-N 3.28Å; I133-W136 HydrophobicContact CG1-CE3 4.36Å; I133-W136 HydrophobicContact CG1-CZ3 4.45Å; I133-W136 WeakPolarHBondContact O-CB 3.34Å; I133-W136 PolarHBondContact O-N 3.24Å; I133-W136 VanDerWaalsContact O-N 3.15Å; W136-M138 VanDerWaalsContact C-N 3.33Å; W136-M138 PolarHBondContact O-N 3.38Å; W136-W139 WeakPolarHBondContact O-CB 3.39Å; W136-W139 PolarHBondContact O-N 3.01Å; W136-Y140 WeakPolarHBondContact O-CD2 3.35Å; W136-Y140 PolarHBondContact O-N 3.15Å; W136-Y140 VanDerWaalsContact O-N 3.08Å; W136-W177 HydrophobicContact CB-CH2 4.44Å; W136-W177 HydrophobicContact CB-CZ3 4.42Å; W136-W177 AromaticContact CD2-CH2 3.8Å; W136-W177 HydrophobicContact CD2-CH2 3.8Å; W136-W177 AromaticContact CE3-CH2 3.63Å; W136-W177 HydrophobicContact CE3-CH2 3.63Å; W136-W177 HydrophobicContact CE3-CZ2 4.33Å; W136-W177 HydrophobicContact CG-CH2 4.19Å; W136-W177 HydrophobicContact CG-CZ3 4.44Å; W136-W177 HydrophobicContact CZ3-CH2 4.03Å; W136-W177 HydrophobicContact CZ3-CZ2 4.29Å; W136-L182 HydrophobicContact CZ2-CD2 3.78Å; W136-M198 PolarHBondContact NE1-SD 3.4Å; W136-T397 HydrophobicContact CE3-CG2 4.04Å; W136-T397 HydrophobicContact CZ3-CG2 3.6Å; W136-F401 HydrophobicContact CB-CE1 4.11Å; W136-F401 HydrophobicContact CB-CE2 4.06Å; W136-F401 HydrophobicContact CB-CZ 3.52Å; W136-F401 HydrophobicContact CE3-CE2 4.13Å; W136-L483 HydrophobicContact CH2-CB 4.02Å; W136-L483 HydrophobicContact CH2-CD1 3.52Å; W136-L483 HydrophobicContact CH2-CD2 4.02Å; W136-L483 HydrophobicContact CH2-CG 4.03Å; W136-L483 HydrophobicContact CZ2-CD1 4.03Å; W136-L483 HydrophobicContact CZ3-CD1 3.76Å; W136-L483 HydrophobicContact CZ3-CD2 3.95Å; W136-L483 HydrophobicContact CZ3-CG 4.34Å |
| 137 | I | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60 | -44.6 | 174.8 | -67.5 | 162.6 | 0 | 0 | 0 | 110.7 | L53 W57 I133 M134 Y140 L141 F401 F422 L425 F426 | L53-I137 HydrophobicContact CD1-CD1 3.96Å; L53-I137 HydrophobicContact CD2-CD1 3.95Å; W57-I137 HydrophobicContact CH2-CD1 4.5Å; I133-I137 HydrophobicContact CG2-CD1 4.2Å; I133-I137 WeakPolarHBondContact O-CG1 3.17Å; I133-I137 PolarHBondContact O-N 2.99Å; M134-I137 PolarHBondContact O-N 3.21Å; M134-I137 HydrophobicContact SD-CD1 4.14Å; I137-Y140 PolarHBondContact O-N 3.27Å; I137-L141 WeakPolarHBondContact O-CB 3.23Å; I137-L141 PolarHBondContact O-N 3.26Å; I137-F401 HydrophobicContact CG1-CE1 4.27Å; I137-F401 HydrophobicContact CG1-CZ 3.89Å; I137-F422 HydrophobicContact CG2-CB 4.32Å; I137-F422 HydrophobicContact CG2-CD1 4.22Å; I137-F422 VanDerWaalsContact CG2-O 3.27Å; I137-F422 WeakPolarHBondContact CG2-O 3.47Å; I137-L425 HydrophobicContact CD1-CB 3.83Å; I137-L425 HydrophobicContact CG1-CB 4.19Å; I137-L425 HydrophobicContact CG1-CD1 4.49Å; I137-L425 HydrophobicContact CG2-CB 4.03Å; I137-F426 HydrophobicContact CG2-CB 3.85Å |
| 138 | M | 96.1 | Very high | 95.7 | Very high | 13 Ų | 13 | 34.8 Ų | 34.8 | 6% | 0.064 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.6 | -40.4 | 176.8 | -75 | -175.6 | 68.4 | 0 | 0 | 112.5 | M134 A135 W136 Y140 L141 F142 A204 A205 F426 | M134-M138 WeakPolarHBondContact O-CG 3.43Å; M134-M138 PolarHBondContact O-N 2.99Å; A135-M138 PolarHBondContact O-N 3.33Å; W136-M138 VanDerWaalsContact C-N 3.33Å; W136-M138 PolarHBondContact O-N 3.38Å; M138-Y140 PolarHBondContact O-N 2.99Å; M138-L141 PolarHBondContact O-N 2.92Å; M138-F142 HydrophobicContact CB-CE2 4.25Å; M138-F142 HydrophobicContact CB-CZ 4.47Å; M138-F142 HydrophobicContact CE-CE1 4.37Å; M138-F142 HydrophobicContact CE-CE2 4.04Å; M138-F142 HydrophobicContact CE-CZ 3.49Å; M138-F142 VanDerWaalsContact CE-CZ 3.49Å; M138-F142 VanDerWaalsContact O-CD2 3.24Å; M138-F142 WeakPolarHBondContact O-CD2 3.45Å; M138-F142 VanDerWaalsContact O-CG 3.23Å; M138-F142 WeakPolarHBondContact O-CG 3.32Å; M138-F142 PolarHBondContact O-N 3.34Å; M138-A204 HydrophobicContact CE-CB 3.49Å; M138-A204 VanDerWaalsContact CE-CB 3.49Å; M138-A204 HydrophobicContact SD-CB 4.36Å; M138-A205 VanDerWaalsContact SD-CA 3.5Å; M138-A205 HydrophobicContact SD-CB 3.78Å; M138-F426 HydrophobicContact CG-CD2 3.61Å; M138-F426 HydrophobicContact CG-CE2 3.39Å; M138-F426 HydrophobicContact CG-CZ 4.34Å; M138-F426 HydrophobicContact SD-CD2 4.31Å; M138-F426 HydrophobicContact SD-CE2 3.46Å; M138-F426 WeakPolarHBondContact SD-CE2 3.47Å; M138-F426 HydrophobicContact SD-CZ 4.07Å |
| 139 | W | 97.3 | Very high | 95.8 | Very high | 51 Ų | 51 | 34.9 Ų | 34.9 | 19% | 0.193 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.1 | -47.2 | 175.8 | 171.3 | -104.5 | 0 | 0 | 0 | 111.7 | A135 W136 F142 N143 T181 W197 A201 | A135-W139 WeakPolarHBondContact O-CB 3.38Å; A135-W139 PolarHBondContact O-N 3.45Å; W136-W139 WeakPolarHBondContact O-CB 3.39Å; W136-W139 PolarHBondContact O-N 3.01Å; W139-F142 PolarHBondContact O-N 3.06Å; W139-N143 PolarHBondContact O-N 2.95Å; W139-N143 PolarHBondContact O-ND2 2.94Å; W139-T181 VanDerWaalsContact CD1-CG2 3.46Å; W139-T181 HydrophobicContact CG-CG2 4.39Å; W139-T181 PolarHBondContact NE1-OG1 3.25Å; W139-T181 VanDerWaalsContact NE1-OG1 3.1Å; W139-W197 HydrophobicContact CH2-CB 4.01Å; W139-W197 HydrophobicContact CH2-CG 4.24Å; W139-W197 HydrophobicContact CZ3-CB 3.78Å; W139-W197 HydrophobicContact CZ3-CG 4.38Å; W139-A201 HydrophobicContact CB-CB 4.42Å |
| 140 | Y | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.5 | -43.3 | 175.5 | -88.6 | -101 | 0 | 0 | 0 | 111.9 | W136 I137 M138 F142 N143 S144 W151 F176 W177 T181 F401 T405 F422 | W136-Y140 WeakPolarHBondContact O-CD2 3.35Å; W136-Y140 PolarHBondContact O-N 3.15Å; W136-Y140 VanDerWaalsContact O-N 3.08Å; I137-Y140 PolarHBondContact O-N 3.27Å; M138-Y140 PolarHBondContact O-N 2.99Å; Y140-F142 VanDerWaalsContact C-N 3.32Å; Y140-F142 PolarHBondContact O-N 3.14Å; Y140-N143 CarbonylContact O-C 3.3Å; Y140-N143 WeakPolarHBondContact O-CA 3.37Å; Y140-N143 PolarHBondContact O-N 3.32Å; Y140-S144 PolarHBondContact O-N 2.83Å; Y140-S144 PolarHBondContact O-OG 3.1Å; Y140-W151 AromaticContact CD1-CE3 3.97Å; Y140-W151 HydrophobicContact CD1-CE3 3.97Å; Y140-W151 AromaticContact CD1-CH2 3.88Å; Y140-W151 HydrophobicContact CD1-CH2 3.88Å; Y140-W151 HydrophobicContact CD1-CZ2 4.5Å; Y140-W151 AromaticContact CD1-CZ3 3.57Å; Y140-W151 HydrophobicContact CD1-CZ3 3.57Å; Y140-W151 HydrophobicContact CE1-CD2 4.38Å; Y140-W151 AromaticContact CE1-CE3 3.94Å; Y140-W151 HydrophobicContact CE1-CE3 3.94Å; Y140-W151 HydrophobicContact CE1-CZ3 4.05Å; Y140-W151 HydrophobicContact CG-CZ3 4.47Å; Y140-F176 HydrophobicContact CD1-CE1 4.18Å; Y140-F176 AromaticContact CE1-CD1 3.83Å; Y140-F176 HydrophobicContact CE1-CD1 3.83Å; Y140-F176 AromaticContact CE1-CE1 3.66Å; Y140-F176 HydrophobicContact CE1-CE1 3.66Å; Y140-F176 HydrophobicContact CE2-CE1 4.14Å; Y140-F176 AromaticContact CZ-CD1 3.72Å; Y140-F176 AromaticContact CZ-CE1 3.65Å; Y140-W177 AromaticContact CE2-CE3 3.73Å; Y140-W177 HydrophobicContact CE2-CE3 3.73Å; Y140-W177 AromaticContact CE2-CZ3 3.84Å; Y140-W177 HydrophobicContact CE2-CZ3 3.84Å; Y140-W177 AromaticContact CZ-CE3 3.99Å; Y140-T181 HydrophobicContact CE2-CG2 4.17Å; Y140-F401 HydrophobicContact CD1-CD1 4.32Å; Y140-F401 AromaticContact CD2-CD1 3.45Å; Y140-F401 HydrophobicContact CD2-CD1 3.45Å; Y140-F401 VanDerWaalsContact CD2-CD1 3.45Å; Y140-F401 AromaticContact CD2-CE1 3.65Å; Y140-F401 HydrophobicContact CD2-CE1 3.65Å; Y140-F401 HydrophobicContact CE1-CD1 4.23Å; Y140-F401 HydrophobicContact CE2-CB 4.24Å; Y140-F401 AromaticContact CE2-CD1 3.36Å; Y140-F401 HydrophobicContact CE2-CD1 3.36Å; Y140-F401 AromaticContact CE2-CE1 3.97Å; Y140-F401 HydrophobicContact CE2-CE1 3.97Å; Y140-F401 HydrophobicContact CE2-CG 4.03Å; Y140-F401 AromaticContact CG-CD1 3.93Å; Y140-F401 HydrophobicContact CG-CD1 3.93Å; Y140-F401 HydrophobicContact CG-CE1 4.19Å; Y140-F401 AromaticContact CZ-CD1 3.76Å; Y140-F401 PolarHBondContact OH-O 3.38Å; Y140-T405 HydrophobicContact CD1-CG2 4.13Å; Y140-T405 HydrophobicContact CE1-CG2 3.9Å; Y140-F422 VanDerWaalsContact CB-CZ 3.44Å; Y140-F422 HydrophobicContact CD1-CE1 4.05Å; Y140-F422 AromaticContact CD1-CE2 3.7Å; Y140-F422 HydrophobicContact CD1-CE2 3.7Å; Y140-F422 AromaticContact CD1-CZ 3.29Å; Y140-F422 HydrophobicContact CD1-CZ 3.29Å; Y140-F422 HydrophobicContact CE1-CZ 4.17Å; Y140-F422 AromaticContact CG-CE1 3.83Å; Y140-F422 HydrophobicContact CG-CE1 3.83Å; Y140-F422 HydrophobicContact CG-CE2 4.03Å; Y140-F422 AromaticContact CG-CZ 3.54Å; Y140-F422 HydrophobicContact CG-CZ 3.54Å |
| 141 | L | 97.1 | Very high | 96 | Very high | 24 Ų | 24 | 35.4 Ų | 35.4 | 13% | 0.126 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.5 | -43.2 | 177.3 | 179.1 | 58.6 | 0 | 0 | 0 | 112.2 | I137 M138 N143 S144 F145 V419 F422 V423 | I137-L141 WeakPolarHBondContact O-CB 3.23Å; I137-L141 PolarHBondContact O-N 3.26Å; M138-L141 PolarHBondContact O-N 2.92Å; L141-N143 PolarHBondContact O-N 3.3Å; L141-S144 WeakPolarHBondContact O-CB 3.39Å; L141-S144 PolarHBondContact O-N 2.9Å; L141-F145 HydrophobicContact CD1-CE2 4.13Å; L141-F145 HydrophobicContact CD1-CZ 4.32Å; L141-F145 HydrophobicContact CG-CE2 4.35Å; L141-F145 VanDerWaalsContact O-CD2 3.25Å; L141-F145 WeakPolarHBondContact O-CD2 3.41Å; L141-F145 WeakPolarHBondContact O-CE2 3.41Å; L141-V419 HydrophobicContact CD1-CG1 4.21Å; L141-F422 HydrophobicContact CB-CB 4Å; L141-F422 HydrophobicContact CD1-CB 4.29Å; L141-V423 HydrophobicContact CD1-CG2 3.73Å; L141-V423 HydrophobicContact CD2-CG2 4.06Å |
| 142 | F | 96.6 | Very high | 95.9 | Very high | 115 Ų | 115 | 37 Ų | 37 | 50% | 0.504 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.8 | -31.6 | 176.5 | -63.5 | -32.2 | 0 | 0 | 0 | 112.6 | M138 W139 Y140 | M138-F142 HydrophobicContact CB-CE2 4.25Å; M138-F142 HydrophobicContact CB-CZ 4.47Å; M138-F142 HydrophobicContact CE-CE1 4.37Å; M138-F142 HydrophobicContact CE-CE2 4.04Å; M138-F142 HydrophobicContact CE-CZ 3.49Å; M138-F142 VanDerWaalsContact CE-CZ 3.49Å; M138-F142 VanDerWaalsContact O-CD2 3.24Å; M138-F142 WeakPolarHBondContact O-CD2 3.45Å; M138-F142 VanDerWaalsContact O-CG 3.23Å; M138-F142 WeakPolarHBondContact O-CG 3.32Å; M138-F142 PolarHBondContact O-N 3.34Å; W139-F142 PolarHBondContact O-N 3.06Å; Y140-F142 VanDerWaalsContact C-N 3.32Å; Y140-F142 PolarHBondContact O-N 3.14Å |
| 143 | N | 96.8 | Very high | 95.8 | Very high | 31 Ų | 31 | 43.4 Ų | 43.4 | 17% | 0.166 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -85.3 | -5.1 | 178.1 | -79 | -75.2 | 0 | 0 | 0 | 114 | W139 Y140 L141 P150 W151 | W139-N143 PolarHBondContact O-N 2.95Å; W139-N143 PolarHBondContact O-ND2 2.94Å; Y140-N143 CarbonylContact O-C 3.3Å; Y140-N143 WeakPolarHBondContact O-CA 3.37Å; Y140-N143 PolarHBondContact O-N 3.32Å; L141-N143 PolarHBondContact O-N 3.3Å; N143-P150 HydrophobicContact CB-CG 3.85Å; N143-P150 WeakPolarHBondContact O-CD 3.26Å; N143-W151 HydrophobicContact CB-CZ3 4.13Å |
| 144 | S | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -13.8 | -179.5 | -60.6 | 0 | 0 | 0 | 0 | 114.6 | Y140 L141 Q146 S418 | Y140-S144 PolarHBondContact O-N 2.83Å; Y140-S144 PolarHBondContact O-OG 3.1Å; L141-S144 WeakPolarHBondContact O-CB 3.39Å; L141-S144 PolarHBondContact O-N 2.9Å; S144-Q146 PolarHBondContact O-N 2.92Å; S144-Q146 VanDerWaalsContact O-N 3.16Å; S144-S418 WeakPolarHBondContact CB-OG 3.28Å; S144-S418 PolarHBondContact OG-OG 3.36Å |
| 145 | F | 96.1 | Very high | 95.6 | Very high | 148 Ų | 148 | 46.4 Ų | 46.4 | 65% | 0.649 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -86.2 | 30.9 | -173 | -65.9 | -81.6 | 0 | 0 | 0 | 114.4 | L141 V419 | L141-F145 HydrophobicContact CD1-CE2 4.13Å; L141-F145 HydrophobicContact CD1-CZ 4.32Å; L141-F145 HydrophobicContact CG-CE2 4.35Å; L141-F145 VanDerWaalsContact O-CD2 3.25Å; L141-F145 WeakPolarHBondContact O-CD2 3.41Å; L141-F145 WeakPolarHBondContact O-CE2 3.41Å; F145-V419 HydrophobicContact CD1-CG2 4.17Å; F145-V419 HydrophobicContact CE1-CG1 4.26Å; F145-V419 HydrophobicContact CE1-CG2 3.91Å; F145-V419 HydrophobicContact CZ-CG1 4.19Å; F145-V419 HydrophobicContact CZ-CG2 4.11Å |
| 146 | Q | 94.8 | Very high | 95.4 | Very high | 91 Ų | 91 | 51.1 Ų | 51.1 | 43% | 0.425 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -141 | 152 | -179.1 | 61 | -173.5 | 10.6 | 0 | 0 | 112 | S144 P150 P415 | S144-Q146 PolarHBondContact O-N 2.92Å; S144-Q146 VanDerWaalsContact O-N 3.16Å; Q146-P150 VanDerWaalsContact NE2-CD 3.32Å; Q146-P415 WeakPolarHBondContact O-CG 3.37Å |
| 147 | D | 92.3 | Very high | 95.1 | Very high | 140 Ų | 140 | 53.8 Ų | 53.8 | 75% | 0.749 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -129.6 | 115.4 | 176.2 | -172.5 | 20.8 | 0 | 0 | 0 | 108.4 | P415 | D147-P415 HydrophobicContact CB-CG 4.08Š|
| 148 | P | 93.5 | Very high | 94.7 | Very high | 74 Ų | 74 | 58.7 Ų | 58.7 | 48% | 0.481 | 32% | 0.317 | S | S | . | . | S | Bend | cis | -74.3 | 156.9 | 5.2 | 32 | -36.6 | 0 | 0 | 0 | 114.1 | ||
| 149 | L | 96.3 | Very high | 94.5 | Very high | 6 Ų | 6 | 64.5 Ų | 64.5 | 3% | 0.031 | 35% | 0.348 | C | S | . | . | trans | -64.4 | 145.5 | 173.4 | -73.8 | 172.3 | 0 | 0 | 0 | 111.1 | W151 S152 I408 I409 P415 | L149-W151 VanDerWaalsContact C-N 3.27Å; L149-W151 HydrophobicContact CB-CD2 4.49Å; L149-W151 HydrophobicContact CB-CZ2 4.35Å; L149-W151 HydrophobicContact CD1-CZ2 3.88Å; L149-W151 HydrophobicContact CD2-CH2 4.1Å; L149-W151 HydrophobicContact CD2-CZ2 3.85Å; L149-W151 HydrophobicContact CG-CZ2 4.26Å; L149-W151 PolarHBondContact O-N 3.41Å; L149-S152 VanDerWaalsContact O-CB 3.28Å; L149-S152 WeakPolarHBondContact O-CB 3.38Å; L149-S152 PolarHBondContact O-N 3.05Å; L149-S152 PolarHBondContact O-OG 2.88Å; L149-I408 HydrophobicContact CD1-CG2 4.25Å; L149-I409 HydrophobicContact CD1-CG2 4.1Å; L149-P415 HydrophobicContact CD2-CB 4.4Å; L149-P415 HydrophobicContact CD2-CG 4.34Å; L149-P415 HydrophobicContact CG-CG 4.26Å | ||
| 150 | P | 95.4 | Very high | 94 | Very high | 39 Ų | 39 | 72 Ų | 72 | 25% | 0.253 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -21.6 | -172.7 | 19.5 | -22.1 | 0 | 0 | 0 | 114.4 | N143 Q146 F176 | N143-P150 HydrophobicContact CB-CG 3.85Å; N143-P150 WeakPolarHBondContact O-CD 3.26Å; Q146-P150 VanDerWaalsContact NE2-CD 3.32Å; P150-F176 HydrophobicContact CB-CD2 4.3Å; P150-F176 HydrophobicContact CB-CE2 3.77Å; P150-F176 HydrophobicContact CB-CZ 4.41Å; P150-F176 HydrophobicContact CG-CE2 4.03Å; P150-F176 HydrophobicContact CG-CZ 4.17Å |
| 151 | W | 95.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 77.8 Ų | 77.8 | 0% | 0 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 11.5 | 174.5 | 53.4 | 83.9 | 0 | 0 | 0 | 113.8 | Y140 N143 L149 T172 V173 F176 T405 I409 S418 F422 | Y140-W151 AromaticContact CD1-CE3 3.97Å; Y140-W151 HydrophobicContact CD1-CE3 3.97Å; Y140-W151 AromaticContact CD1-CH2 3.88Å; Y140-W151 HydrophobicContact CD1-CH2 3.88Å; Y140-W151 HydrophobicContact CD1-CZ2 4.5Å; Y140-W151 AromaticContact CD1-CZ3 3.57Å; Y140-W151 HydrophobicContact CD1-CZ3 3.57Å; Y140-W151 HydrophobicContact CE1-CD2 4.38Å; Y140-W151 AromaticContact CE1-CE3 3.94Å; Y140-W151 HydrophobicContact CE1-CE3 3.94Å; Y140-W151 HydrophobicContact CE1-CZ3 4.05Å; Y140-W151 HydrophobicContact CG-CZ3 4.47Å; N143-W151 HydrophobicContact CB-CZ3 4.13Å; L149-W151 VanDerWaalsContact C-N 3.27Å; L149-W151 HydrophobicContact CB-CD2 4.49Å; L149-W151 HydrophobicContact CB-CZ2 4.35Å; L149-W151 HydrophobicContact CD1-CZ2 3.88Å; L149-W151 HydrophobicContact CD2-CH2 4.1Å; L149-W151 HydrophobicContact CD2-CZ2 3.85Å; L149-W151 HydrophobicContact CG-CZ2 4.26Å; L149-W151 PolarHBondContact O-N 3.41Å; W151-T172 VanDerWaalsContact O-CB 3.31Å; W151-T172 WeakPolarHBondContact O-CB 3.2Å; W151-T172 PolarHBondContact O-OG1 3.14Å; W151-V173 HydrophobicContact CB-CG2 4.44Å; W151-F176 HydrophobicContact CB-CB 3.71Å; W151-F176 HydrophobicContact CB-CD1 4.01Å; W151-F176 HydrophobicContact CB-CD2 4.35Å; W151-F176 HydrophobicContact CB-CG 3.75Å; W151-F176 AromaticContact CE3-CD1 3.86Å; W151-F176 HydrophobicContact CE3-CD1 3.86Å; W151-F176 AromaticContact CE3-CE1 3.55Å; W151-F176 HydrophobicContact CE3-CE1 3.55Å; W151-F176 HydrophobicContact CE3-CE2 4.46Å; W151-F176 HydrophobicContact CE3-CG 4.44Å; W151-F176 AromaticContact CE3-CZ 3.89Å; W151-F176 HydrophobicContact CE3-CZ 3.89Å; W151-F176 HydrophobicContact CZ3-CE1 4.08Å; W151-F176 HydrophobicContact CZ3-CZ 4.3Å; W151-T405 HydrophobicContact CZ2-CG2 4.42Å; W151-I409 VanDerWaalsContact CD1-CG2 3.46Å; W151-S418 WeakPolarHBondContact CH2-OG 3.49Å; W151-S418 VanDerWaalsContact CZ2-OG 3.28Å; W151-S418 WeakPolarHBondContact CZ2-OG 3.39Å; W151-F422 HydrophobicContact CH2-CE2 4.17Å; W151-F422 HydrophobicContact CZ2-CE2 4.33Å |
| 152 | S | 94.3 | Very high | 93.4 | Very high | 36 Ų | 36 | 77.9 Ų | 77.9 | 25% | 0.252 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -86.1 | -21.3 | -179.9 | 66.2 | 0 | 0 | 0 | 0 | 114.4 | L149 | L149-S152 VanDerWaalsContact O-CB 3.28Å; L149-S152 WeakPolarHBondContact O-CB 3.38Å; L149-S152 PolarHBondContact O-N 3.05Å; L149-S152 PolarHBondContact O-OG 2.88Å |
| 153 | Q | 92.8 | Very high | 93.2 | Very high | 135 Ų | 135 | 79.2 Ų | 79.2 | 63% | 0.631 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -140.2 | 145.6 | -173.2 | -65.4 | -178.9 | 7 | 0 | 0 | 111.6 | ||
| 154 | C | 92.9 | Very high | 93 | Very high | 23 Ų | 23 | 79 Ų | 79 | 16% | 0.155 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 138.3 | 174.1 | -77.8 | 0 | 0 | 0 | 0 | 110.9 | Y163 C167 T172 | C154-Y163 HydrophobicContact CB-CD1 3.65Å; C154-Y163 HydrophobicContact CB-CE1 4.29Å; C154-Y163 HydrophobicContact CB-CG 4.03Å; C154-C167 WeakPolarHBondContact CA-SG 3.03Å; C154-C167 HydrophobicContact CB-CB 3.85Å; C154-C167 WeakPolarHBondContact CB-SG 3.37Å; C154-C167 VanDerWaalsContact SG-C 3.56Å; C154-C167 WeakPolarHBondContact SG-CB 3.24Å; C154-C167 PolarHBondContact SG-O 2.98Å; C154-C167 CovalentContact SG-SG 2.04Å; C154-C167 PolarHBondContact SG-SG 3.33Å; C154-T172 HydrophobicContact CB-CG2 4.43Å |
| 155 | P | 93.6 | Very high | 92.7 | Very high | 48 Ų | 48 | 84.4 Ų | 84.4 | 31% | 0.312 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 152.9 | 171.8 | 28.2 | -32.8 | 0 | 0 | 0 | 111.3 | V164 Y175 | P155-V164 HydrophobicContact CB-CG2 4.47Å; P155-V164 HydrophobicContact CG-CB 4.48Å; P155-V164 HydrophobicContact CG-CG2 3.96Å; P155-V164 PolarHBondContact O-N 2.95Å; P155-V164 VanDerWaalsContact O-N 3.12Å; P155-Y175 HydrophobicContact CG-CD1 4.21Å; P155-Y175 HydrophobicContact CG-CE1 3.52Å |
| 156 | L | 92.6 | Very high | 92.4 | Very high | 100 Ų | 100 | 77.9 Ų | 77.9 | 52% | 0.524 | 42% | 0.418 | S | S | . | . | B | Isolated β-bridge | trans | -78.6 | 148.1 | 173 | -64.9 | 175.6 | 0 | 0 | 0 | 110.9 | Y163 | L156-Y163 HydrophobicContact CD2-CD1 4.05Å; L156-Y163 HydrophobicContact CD2-CE1 4.11Å |
| 157 | N | 90.3 | Very high | 92.3 | Very high | 55 Ų | 55 | 73.6 Ų | 73.6 | 29% | 0.294 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 161.4 | 171 | -74.1 | -29.5 | 0 | 0 | 0 | 112.3 | N159 R160 G162 Y163 V164 | N157-N159 PolarHBondContact O-N 3.04Å; N157-N159 VanDerWaalsContact O-N 3.07Å; N157-R160 WeakPolarHBondContact O-CA 3.23Å; N157-R160 PolarHBondContact O-N 2.93Å; N157-G162 WeakPolarHBondContact CB-O 3.47Å; N157-G162 PolarHBondContact N-O 2.9Å; N157-G162 PolarHBondContact ND2-O 2.94Å; N157-Y163 VanDerWaalsContact CG-O 3.32Å; N157-Y163 PolarHBondContact ND2-O 3.21Å; N157-Y163 PolarHBondContact OD1-O 3.41Å; N157-V164 WeakPolarHBondContact OD1-CA 3.26Å; N157-V164 WeakPolarHBondContact OD1-CG2 3.41Å; N157-V164 PolarHBondContact OD1-N 3.38Å |
| 158 | A | 89 | Confident | 92.2 | Very high | 103 Ų | 103 | 70 Ų | 70 | 85% | 0.851 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -35.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | R160 | A158-R160 VanDerWaalsContact C-N 3.32Å; A158-R160 PolarHBondContact O-N 3.46Å |
| 159 | N | 92.1 | Very high | 92 | Very high | 135 Ų | 135 | 71.4 Ų | 71.4 | 72% | 0.722 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -4 | 178.9 | -63.6 | -13 | 0 | 0 | 0 | 113.9 | N157 T161 | N157-N159 PolarHBondContact O-N 3.04Å; N157-N159 VanDerWaalsContact O-N 3.07Å; N159-T161 HydrophobicContact CB-CG2 4.23Å; N159-T161 PolarHBondContact O-N 3.49Å; N159-T161 VanDerWaalsContact O-N 3.1Å |
| 160 | R | 87.8 | Confident | 91.7 | Very high | 208 Ų | 208 | 72 Ų | 72 | 79% | 0.785 | 39% | 0.389 | S | S | * | . | S | Bend | trans | 53.4 | 24.9 | -176.9 | -56.9 | -178.3 | -179.9 | 179.1 | -1.2 | 115 | N157 A158 | N157-R160 WeakPolarHBondContact O-CA 3.23Å; N157-R160 PolarHBondContact O-N 2.93Å; A158-R160 VanDerWaalsContact C-N 3.32Å; A158-R160 PolarHBondContact O-N 3.46Å |
| 161 | T | 90.6 | Very high | 91.5 | Very high | 122 Ų | 122 | 72 Ų | 72 | 75% | 0.748 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -92.2 | -16.4 | 179.7 | 50.6 | 0 | 0 | 0 | 0 | 113.6 | N159 | N159-T161 HydrophobicContact CB-CG2 4.23Å; N159-T161 PolarHBondContact O-N 3.49Å; N159-T161 VanDerWaalsContact O-N 3.1Å |
| 162 | G | 90.4 | Very high | 91.4 | Very high | 26 Ų | 26 | 73.5 Ų | 73.5 | 27% | 0.268 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -174.2 | -178.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | N157 | N157-G162 WeakPolarHBondContact CB-O 3.47Å; N157-G162 PolarHBondContact N-O 2.9Å; N157-G162 PolarHBondContact ND2-O 2.94Å |
| 163 | Y | 92.5 | Very high | 91.3 | Very high | 143 Ų | 143 | 71.8 Ų | 71.8 | 56% | 0.561 | 39% | 0.385 | S | S | * | . | B | Isolated β-bridge | trans | -75.1 | 155.8 | 177.5 | -61.3 | -60.9 | 0 | 0 | 0 | 112.5 | C154 L156 N157 E165 | C154-Y163 HydrophobicContact CB-CD1 3.65Å; C154-Y163 HydrophobicContact CB-CE1 4.29Å; C154-Y163 HydrophobicContact CB-CG 4.03Å; L156-Y163 HydrophobicContact CD2-CD1 4.05Å; L156-Y163 HydrophobicContact CD2-CE1 4.11Å; N157-Y163 VanDerWaalsContact CG-O 3.32Å; N157-Y163 PolarHBondContact ND2-O 3.21Å; N157-Y163 PolarHBondContact OD1-O 3.41Å; Y163-E165 PolarHBondContact O-N 3.38Å |
| 164 | V | 93.4 | Very high | 91.3 | Very high | 28 Ų | 28 | 66.7 Ų | 66.7 | 17% | 0.17 | 36% | 0.362 | C | S | . | . | trans | -54.3 | 125 | 167.9 | 178.5 | 0 | 0 | 0 | 0 | 110.1 | P155 N157 E166 C167 A168 Y175 | P155-V164 HydrophobicContact CB-CG2 4.47Å; P155-V164 HydrophobicContact CG-CB 4.48Å; P155-V164 HydrophobicContact CG-CG2 3.96Å; P155-V164 PolarHBondContact O-N 2.95Å; P155-V164 VanDerWaalsContact O-N 3.12Å; N157-V164 WeakPolarHBondContact OD1-CA 3.26Å; N157-V164 WeakPolarHBondContact OD1-CG2 3.41Å; N157-V164 PolarHBondContact OD1-N 3.38Å; V164-E166 VanDerWaalsContact C-N 3.27Å; V164-E166 HydrophobicContact CG1-CB 4.17Å; V164-E166 PolarHBondContact O-N 3.29Å; V164-C167 HydrophobicContact CB-CB 4.26Å; V164-C167 WeakPolarHBondContact O-CB 3.07Å; V164-C167 PolarHBondContact O-N 2.99Å; V164-A168 WeakPolarHBondContact O-CB 3.18Å; V164-A168 PolarHBondContact O-N 2.93Å; V164-Y175 HydrophobicContact CG1-CE2 3.85Å | ||
| 165 | E | 90.3 | Very high | 91.4 | Very high | 113 Ų | 113 | 66.9 Ų | 66.9 | 53% | 0.528 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -56.9 | -42.3 | -173.7 | -170.9 | -171.5 | 156 | 0 | 0 | 111.8 | Y163 C167 A168 R169 | Y163-E165 PolarHBondContact O-N 3.38Å; E165-C167 PolarHBondContact O-N 3.16Å; E165-A168 PolarHBondContact O-N 3.32Å; E165-R169 HydrophobicContact CG-CG 4.48Å; E165-R169 WeakPolarHBondContact O-CB 3.46Å; E165-R169 WeakPolarHBondContact O-CG 3.38Å; E165-R169 PolarHBondContact O-N 2.93Å; E165-R169 IonicContact OE1-NH1 2.76Å |
| 166 | E | 90.8 | Very high | 91.5 | Very high | 10 Ų | 10 | 65.2 Ų | 65.2 | 5% | 0.047 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -55.7 | -51.2 | 174.6 | -172.8 | 179 | -162.4 | 0 | 0 | 110.8 | V164 A168 R169 S170 Y175 R179 W564 F571 | V164-E166 VanDerWaalsContact C-N 3.27Å; V164-E166 HydrophobicContact CG1-CB 4.17Å; V164-E166 PolarHBondContact O-N 3.29Å; E166-A168 PolarHBondContact O-N 3.01Å; E166-R169 PolarHBondContact O-N 3.21Å; E166-S170 PolarHBondContact O-N 3.48Å; E166-S170 VanDerWaalsContact O-N 3.07Å; E166-S170 PolarHBondContact O-OG 3.39Å; E166-Y175 HydrophobicContact CB-CD2 4.26Å; E166-Y175 HydrophobicContact CB-CE2 4.24Å; E166-Y175 HydrophobicContact CG-CD2 4.12Å; E166-Y175 HydrophobicContact CG-CE2 4.38Å; E166-Y175 WeakPolarHBondContact OE2-CE2 3.14Å; E166-R179 IonicContact OE1-CZ 2.84Å; E166-R179 IonicContact OE1-NE 2.63Å; E166-R179 PolarHBondContact OE1-NE 2.93Å; E166-R179 IonicContact OE1-NH2 3.76Å; E166-R179 PolarHBondContact OE1-NH2 3.4Å; E166-R179 IonicContact OE2-CZ 3.83Å; E166-R179 IonicContact OE2-NE 3.78Å; E166-R179 PolarHBondContact OE2-NE 2.77Å; E166-R179 IonicContact OE2-NH2 2.82Å; E166-W564 HydrophobicContact CG-CZ2 4.32Å; E166-W564 PolarHBondContact OE1-NE1 2.96Å; E166-F571 HydrophobicContact CG-CZ 4.13Å |
| 167 | C | 92.8 | Very high | 91.6 | Very high | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.014 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.8 | -37.1 | 179.4 | -165.9 | 0 | 0 | 0 | 0 | 113 | C154 V164 E165 S170 Y175 | C154-C167 WeakPolarHBondContact CA-SG 3.03Å; C154-C167 HydrophobicContact CB-CB 3.85Å; C154-C167 WeakPolarHBondContact CB-SG 3.37Å; C154-C167 VanDerWaalsContact SG-C 3.56Å; C154-C167 WeakPolarHBondContact SG-CB 3.24Å; C154-C167 PolarHBondContact SG-O 2.98Å; C154-C167 CovalentContact SG-SG 2.04Å; C154-C167 PolarHBondContact SG-SG 3.33Å; V164-C167 HydrophobicContact CB-CB 4.26Å; V164-C167 WeakPolarHBondContact O-CB 3.07Å; V164-C167 PolarHBondContact O-N 2.99Å; E165-C167 PolarHBondContact O-N 3.16Å; C167-S170 CarbonylContact O-C 3.36Å; C167-Y175 HydrophobicContact CB-CD1 4.36Å; C167-Y175 HydrophobicContact CB-CD2 3.69Å; C167-Y175 HydrophobicContact CB-CE2 4.29Å; C167-Y175 HydrophobicContact CB-CG 3.72Å |
| 168 | A | 90 | Very high | 91.8 | Very high | 64 Ų | 64 | 58.6 Ų | 58.6 | 53% | 0.529 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -72.6 | -29.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | V164 E165 E166 | V164-A168 WeakPolarHBondContact O-CB 3.18Å; V164-A168 PolarHBondContact O-N 2.93Å; E165-A168 PolarHBondContact O-N 3.32Å; E166-A168 PolarHBondContact O-N 3.01Å |
| 169 | R | 89.5 | Confident | 92 | Very high | 104 Ų | 104 | 56.2 Ų | 56.2 | 39% | 0.392 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -86.6 | -24.6 | 176.4 | -73.2 | 176.3 | 64.8 | -161.3 | -4 | 112.7 | E165 E166 Q566 F571 | E165-R169 HydrophobicContact CG-CG 4.48Å; E165-R169 WeakPolarHBondContact O-CB 3.46Å; E165-R169 WeakPolarHBondContact O-CG 3.38Å; E165-R169 PolarHBondContact O-N 2.93Å; E165-R169 IonicContact OE1-NH1 2.76Å; E166-R169 PolarHBondContact O-N 3.21Å; R169-Q566 PolarHBondContact NH1-O 3Å; R169-F571 HydrophobicContact CB-CD1 3.91Å; R169-F571 HydrophobicContact CB-CE1 3.41Å; R169-F571 VanDerWaalsContact CB-CE1 3.41Å |
| 170 | S | 90.1 | Very high | 92 | Very high | 19 Ų | 19 | 54.1 Ų | 54.1 | 13% | 0.133 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -102.6 | -145.1 | 172.7 | 68.8 | 0 | 0 | 0 | 0 | 111.4 | E166 C167 | E166-S170 PolarHBondContact O-N 3.48Å; E166-S170 VanDerWaalsContact O-N 3.07Å; E166-S170 PolarHBondContact O-OG 3.39Å; C167-S170 CarbonylContact O-C 3.36Å |
| 171 | T | 89.9 | Confident | 92.4 | Very high | 37 Ų | 37 | 44.2 Ų | 44.2 | 23% | 0.227 | 23% | 0.229 | C | C | . | . | trans | -111.2 | 162.5 | 169.4 | 71.7 | 0 | 0 | 0 | 0 | 111.8 | V173 D174 Y175 | T171-V173 PolarHBondContact O-N 3.44Å; T171-D174 PolarHBondContact O-N 3.5Å; T171-D174 WeakPolarHBondContact OG1-CB 3.16Å; T171-D174 PolarHBondContact OG1-N 2.7Å; T171-D174 PolarHBondContact OG1-OD2 3.2Å; T171-Y175 PolarHBondContact O-N 3.38Å; T171-Y175 VanDerWaalsContact O-N 3.1Å | ||
| 172 | T | 93.5 | Very high | 92.6 | Very high | 32 Ų | 32 | 39 Ų | 39 | 20% | 0.196 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60 | -33.9 | 173.7 | 56.7 | 0 | 0 | 0 | 0 | 112 | W151 C154 F176 | W151-T172 VanDerWaalsContact O-CB 3.31Å; W151-T172 WeakPolarHBondContact O-CB 3.2Å; W151-T172 PolarHBondContact O-OG1 3.14Å; C154-T172 HydrophobicContact CB-CG2 4.43Å; T172-F176 WeakPolarHBondContact O-CB 3.36Å; T172-F176 PolarHBondContact O-N 3.28Å |
| 173 | V | 93.5 | Very high | 92.8 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -77.9 | -41.5 | -177.1 | -171.7 | 0 | 0 | 0 | 0 | 111.3 | W151 T171 Y175 F176 W177 F401 I402 T405 E406 I409 | W151-V173 HydrophobicContact CB-CG2 4.44Å; T171-V173 PolarHBondContact O-N 3.44Å; V173-Y175 VanDerWaalsContact C-N 3.31Å; V173-Y175 PolarHBondContact O-N 2.77Å; V173-F176 PolarHBondContact O-N 3.3Å; V173-W177 PolarHBondContact O-N 3.2Å; V173-F401 WeakPolarHBondContact CG1-O 3.31Å; V173-I402 HydrophobicContact CG1-CB 4.41Å; V173-I402 HydrophobicContact CG1-CG2 4.25Å; V173-T405 WeakPolarHBondContact CG1-OG1 3.47Å; V173-E406 HydrophobicContact CG2-CB 4.01Å; V173-E406 HydrophobicContact CG2-CG 4.46Å; V173-I409 HydrophobicContact CG2-CD1 4.33Å |
| 174 | D | 91.8 | Very high | 92.7 | Very high | 27 Ų | 27 | 32.8 Ų | 32.8 | 14% | 0.144 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.3 | -44.8 | 172.6 | -68.7 | -44.4 | 0 | 0 | 0 | 110.8 | T171 F176 W177 Y178 I402 W564 | T171-D174 PolarHBondContact O-N 3.5Å; T171-D174 WeakPolarHBondContact OG1-CB 3.16Å; T171-D174 PolarHBondContact OG1-N 2.7Å; T171-D174 PolarHBondContact OG1-OD2 3.2Å; D174-F176 PolarHBondContact O-N 3.05Å; D174-W177 PolarHBondContact O-N 3.15Å; D174-Y178 HydrophobicContact CB-CD2 4.29Å; D174-Y178 VanDerWaalsContact O-CD2 3.3Å; D174-Y178 WeakPolarHBondContact O-CD2 3.27Å; D174-Y178 PolarHBondContact O-N 3.25Å; D174-I402 VanDerWaalsContact OD1-CG2 3.29Å; D174-I402 WeakPolarHBondContact OD1-CG2 3.33Å; D174-W564 HydrophobicContact CB-CH2 3.94Å; D174-W564 HydrophobicContact CB-CZ3 4.46Å |
| 175 | Y | 94.3 | Very high | 92.7 | Very high | 28 Ų | 28 | 31.6 Ų | 31.6 | 11% | 0.11 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.6 | -46 | 177.2 | -174.7 | -93.4 | 0 | 0 | 0 | 111.7 | P155 V164 E166 C167 T171 V173 W177 R179 E180 | P155-Y175 HydrophobicContact CG-CD1 4.21Å; P155-Y175 HydrophobicContact CG-CE1 3.52Å; V164-Y175 HydrophobicContact CG1-CE2 3.85Å; E166-Y175 HydrophobicContact CB-CD2 4.26Å; E166-Y175 HydrophobicContact CB-CE2 4.24Å; E166-Y175 HydrophobicContact CG-CD2 4.12Å; E166-Y175 HydrophobicContact CG-CE2 4.38Å; E166-Y175 WeakPolarHBondContact OE2-CE2 3.14Å; C167-Y175 HydrophobicContact CB-CD1 4.36Å; C167-Y175 HydrophobicContact CB-CD2 3.69Å; C167-Y175 HydrophobicContact CB-CE2 4.29Å; C167-Y175 HydrophobicContact CB-CG 3.72Å; T171-Y175 PolarHBondContact O-N 3.38Å; T171-Y175 VanDerWaalsContact O-N 3.1Å; V173-Y175 VanDerWaalsContact C-N 3.31Å; V173-Y175 PolarHBondContact O-N 2.77Å; Y175-W177 VanDerWaalsContact C-N 3.3Å; Y175-W177 PolarHBondContact O-N 3.01Å; Y175-R179 HydrophobicContact CD2-CB 4.09Å; Y175-R179 HydrophobicContact CE1-CB 4.4Å; Y175-R179 HydrophobicContact CE2-CB 3.9Å; Y175-R179 HydrophobicContact CE2-CG 3.84Å; Y175-R179 HydrophobicContact CG-CB 4.44Å; Y175-R179 WeakPolarHBondContact O-CA 3.49Å; Y175-R179 VanDerWaalsContact O-CB 3.27Å; Y175-R179 WeakPolarHBondContact O-CB 3.39Å; Y175-R179 PolarHBondContact O-N 2.89Å; Y175-E180 HydrophobicContact CD1-CG 4.25Å; Y175-E180 HydrophobicContact CE1-CG 3.97Å; Y175-E180 PolarHBondContact O-N 3.26Å |
| 176 | F | 95.7 | Very high | 92.8 | Very high | 13 Ų | 13 | 28.3 Ų | 28.3 | 6% | 0.057 | 15% | 0.148 | C | C | . | . | I | π-helix | trans | -62.5 | -37 | 177.7 | -174.5 | -95.8 | 0 | 0 | 0 | 112.4 | Y140 P150 W151 T172 V173 D174 E180 T181 | Y140-F176 HydrophobicContact CD1-CE1 4.18Å; Y140-F176 AromaticContact CE1-CD1 3.83Å; Y140-F176 HydrophobicContact CE1-CD1 3.83Å; Y140-F176 AromaticContact CE1-CE1 3.66Å; Y140-F176 HydrophobicContact CE1-CE1 3.66Å; Y140-F176 HydrophobicContact CE2-CE1 4.14Å; Y140-F176 AromaticContact CZ-CD1 3.72Å; Y140-F176 AromaticContact CZ-CE1 3.65Å; P150-F176 HydrophobicContact CB-CD2 4.3Å; P150-F176 HydrophobicContact CB-CE2 3.77Å; P150-F176 HydrophobicContact CB-CZ 4.41Å; P150-F176 HydrophobicContact CG-CE2 4.03Å; P150-F176 HydrophobicContact CG-CZ 4.17Å; W151-F176 HydrophobicContact CB-CB 3.71Å; W151-F176 HydrophobicContact CB-CD1 4.01Å; W151-F176 HydrophobicContact CB-CD2 4.35Å; W151-F176 HydrophobicContact CB-CG 3.75Å; W151-F176 AromaticContact CE3-CD1 3.86Å; W151-F176 HydrophobicContact CE3-CD1 3.86Å; W151-F176 AromaticContact CE3-CE1 3.55Å; W151-F176 HydrophobicContact CE3-CE1 3.55Å; W151-F176 HydrophobicContact CE3-CE2 4.46Å; W151-F176 HydrophobicContact CE3-CG 4.44Å; W151-F176 AromaticContact CE3-CZ 3.89Å; W151-F176 HydrophobicContact CE3-CZ 3.89Å; W151-F176 HydrophobicContact CZ3-CE1 4.08Å; W151-F176 HydrophobicContact CZ3-CZ 4.3Å; T172-F176 WeakPolarHBondContact O-CB 3.36Å; T172-F176 PolarHBondContact O-N 3.28Å; V173-F176 PolarHBondContact O-N 3.3Å; D174-F176 PolarHBondContact O-N 3.05Å; F176-E180 HydrophobicContact CD2-CB 3.88Å; F176-E180 HydrophobicContact CD2-CG 4.19Å; F176-E180 HydrophobicContact CE2-CB 4.22Å; F176-E180 HydrophobicContact CG-CB 4.43Å; F176-E180 WeakPolarHBondContact O-CB 3.45Å; F176-T181 WeakPolarHBondContact CE1-OG1 3.44Å; F176-T181 VanDerWaalsContact O-CB 3.3Å; F176-T181 WeakPolarHBondContact O-CB 3.47Å; F176-T181 PolarHBondContact O-N 2.89Å; F176-T181 PolarHBondContact O-OG1 3.07Å |
| 177 | W | 95.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 0% | 0.004 | 15% | 0.15 | C | C | . | . | I | π-helix | trans | -72.5 | -58.1 | 178 | 177.4 | -117.5 | 0 | 0 | 0 | 112.4 | W136 Y140 V173 D174 Y175 T181 L182 F401 I402 | W136-W177 HydrophobicContact CB-CH2 4.44Å; W136-W177 HydrophobicContact CB-CZ3 4.42Å; W136-W177 AromaticContact CD2-CH2 3.8Å; W136-W177 HydrophobicContact CD2-CH2 3.8Å; W136-W177 AromaticContact CE3-CH2 3.63Å; W136-W177 HydrophobicContact CE3-CH2 3.63Å; W136-W177 HydrophobicContact CE3-CZ2 4.33Å; W136-W177 HydrophobicContact CG-CH2 4.19Å; W136-W177 HydrophobicContact CG-CZ3 4.44Å; W136-W177 HydrophobicContact CZ3-CH2 4.03Å; W136-W177 HydrophobicContact CZ3-CZ2 4.29Å; Y140-W177 AromaticContact CE2-CE3 3.73Å; Y140-W177 HydrophobicContact CE2-CE3 3.73Å; Y140-W177 AromaticContact CE2-CZ3 3.84Å; Y140-W177 HydrophobicContact CE2-CZ3 3.84Å; Y140-W177 AromaticContact CZ-CE3 3.99Å; V173-W177 PolarHBondContact O-N 3.2Å; D174-W177 PolarHBondContact O-N 3.15Å; Y175-W177 VanDerWaalsContact C-N 3.3Å; Y175-W177 PolarHBondContact O-N 3.01Å; W177-T181 HydrophobicContact CE3-CG2 3.98Å; W177-T181 HydrophobicContact CZ3-CG2 3.97Å; W177-T181 WeakPolarHBondContact O-CB 3.48Å; W177-L182 HydrophobicContact CD2-CD1 3.98Å; W177-L182 HydrophobicContact CD2-CG 4.31Å; W177-L182 VanDerWaalsContact CE2-CD1 3.46Å; W177-L182 HydrophobicContact CE3-CG 4.41Å; W177-L182 HydrophobicContact CG-CD1 4.46Å; W177-L182 HydrophobicContact CH2-CD1 4.23Å; W177-L182 HydrophobicContact CH2-CD2 4.22Å; W177-L182 HydrophobicContact CH2-CG 4.36Å; W177-L182 HydrophobicContact CZ2-CD1 3.62Å; W177-L182 HydrophobicContact CZ2-CD2 4.39Å; W177-L182 HydrophobicContact CZ2-CG 4.23Å; W177-L182 HydrophobicContact CZ3-CG 4.44Å; W177-L182 WeakPolarHBondContact O-CB 3.22Å; W177-L182 WeakPolarHBondContact O-CG 3.42Å; W177-L182 PolarHBondContact O-N 3.42Å; W177-F401 HydrophobicContact CD2-CB 3.99Å; W177-F401 HydrophobicContact CE3-CB 3.69Å; W177-F401 HydrophobicContact CE3-CD1 4.5Å; W177-F401 HydrophobicContact CE3-CD2 4.23Å; W177-F401 AromaticContact CE3-CG 3.91Å; W177-F401 HydrophobicContact CE3-CG 3.91Å; W177-F401 HydrophobicContact CH2-CB 4.33Å; W177-F401 AromaticContact CH2-CD2 3.36Å; W177-F401 HydrophobicContact CH2-CD2 3.36Å; W177-F401 AromaticContact CH2-CE2 3.75Å; W177-F401 HydrophobicContact CH2-CE2 3.75Å; W177-F401 AromaticContact CH2-CG 3.89Å; W177-F401 HydrophobicContact CH2-CG 3.89Å; W177-F401 AromaticContact CZ2-CD2 3.93Å; W177-F401 HydrophobicContact CZ2-CD2 3.93Å; W177-F401 HydrophobicContact CZ3-CB 3.88Å; W177-F401 HydrophobicContact CZ3-CD1 4.05Å; W177-F401 AromaticContact CZ3-CD2 3.54Å; W177-F401 HydrophobicContact CZ3-CD2 3.54Å; W177-F401 HydrophobicContact CZ3-CE1 4.47Å; W177-F401 HydrophobicContact CZ3-CE2 4.04Å; W177-F401 AromaticContact CZ3-CG 3.55Å; W177-F401 HydrophobicContact CZ3-CG 3.55Å; W177-F401 HydrophobicContact CZ3-CZ 4.47Å; W177-I402 HydrophobicContact CB-CG1 4.26Å; W177-I402 HydrophobicContact CG-CD1 4.37Å; W177-I402 HydrophobicContact CG-CG1 4.24Å |
| 178 | Y | 94 | Very high | 92.6 | Very high | 15 Ų | 15 | 28.3 Ų | 28.3 | 6% | 0.059 | 15% | 0.149 | C | C | . | . | I | π-helix | trans | -76.6 | -32.4 | -171.8 | -68.8 | -65.3 | 0 | 0 | 0 | 113.4 | D174 N183 T184 I402 W564 L574 | D174-Y178 HydrophobicContact CB-CD2 4.29Å; D174-Y178 VanDerWaalsContact O-CD2 3.3Å; D174-Y178 WeakPolarHBondContact O-CD2 3.27Å; D174-Y178 PolarHBondContact O-N 3.25Å; Y178-N183 CarbonylContact O-C 3.23Å; Y178-N183 WeakPolarHBondContact O-CA 3.4Å; Y178-N183 PolarHBondContact O-N 3.06Å; Y178-N183 VanDerWaalsContact O-N 3.1Å; Y178-T184 HydrophobicContact CD1-CG2 4.12Å; Y178-T184 PolarHBondContact O-N 2.83Å; Y178-I402 HydrophobicContact CE2-CD1 4.07Å; Y178-W564 HydrophobicContact CD1-CB 3.9Å; Y178-W564 HydrophobicContact CD1-CD2 4.34Å; Y178-W564 HydrophobicContact CD1-CG 4.02Å; Y178-W564 AromaticContact CD2-CD2 3.52Å; Y178-W564 HydrophobicContact CD2-CD2 3.52Å; Y178-W564 AromaticContact CD2-CE2 3.9Å; Y178-W564 AromaticContact CD2-CE3 3.49Å; Y178-W564 HydrophobicContact CD2-CE3 3.49Å; Y178-W564 VanDerWaalsContact CD2-CE3 3.49Å; Y178-W564 HydrophobicContact CD2-CG 4.05Å; Y178-W564 HydrophobicContact CD2-CH2 4.19Å; Y178-W564 HydrophobicContact CD2-CZ2 4.22Å; Y178-W564 AromaticContact CD2-CZ3 3.84Å; Y178-W564 HydrophobicContact CD2-CZ3 3.84Å; Y178-W564 HydrophobicContact CE1-CB 4.3Å; Y178-W564 HydrophobicContact CE2-CD2 4.09Å; Y178-W564 AromaticContact CE2-CE3 3.59Å; Y178-W564 HydrophobicContact CE2-CE3 3.59Å; Y178-W564 AromaticContact CE2-CZ3 3.88Å; Y178-W564 HydrophobicContact CE2-CZ3 3.88Å; Y178-W564 HydrophobicContact CG-CB 4.09Å; Y178-W564 AromaticContact CG-CD2 3.68Å; Y178-W564 HydrophobicContact CG-CD2 3.68Å; Y178-W564 HydrophobicContact CG-CE3 4.07Å; Y178-W564 AromaticContact CG-CG 3.68Å; Y178-W564 HydrophobicContact CG-CG 3.68Å; Y178-L574 HydrophobicContact CE1-CD2 4.24Å; Y178-L574 HydrophobicContact CE2-CD2 4.46Å |
| 179 | R | 93.4 | Very high | 92.6 | Very high | 52 Ų | 52 | 29.5 Ų | 29.5 | 20% | 0.196 | 15% | 0.147 | C | C | . | . | I | π-helix | trans | -104.3 | -51.4 | -173.5 | -160.9 | 58.7 | 59.6 | -152.4 | 0.3 | 113.5 | E166 Y175 N183 T184 | E166-R179 IonicContact OE1-CZ 2.84Å; E166-R179 IonicContact OE1-NE 2.63Å; E166-R179 PolarHBondContact OE1-NE 2.93Å; E166-R179 IonicContact OE1-NH2 3.76Å; E166-R179 PolarHBondContact OE1-NH2 3.4Å; E166-R179 IonicContact OE2-CZ 3.83Å; E166-R179 IonicContact OE2-NE 3.78Å; E166-R179 PolarHBondContact OE2-NE 2.77Å; E166-R179 IonicContact OE2-NH2 2.82Å; Y175-R179 HydrophobicContact CD2-CB 4.09Å; Y175-R179 HydrophobicContact CE1-CB 4.4Å; Y175-R179 HydrophobicContact CE2-CB 3.9Å; Y175-R179 HydrophobicContact CE2-CG 3.84Å; Y175-R179 HydrophobicContact CG-CB 4.44Å; Y175-R179 WeakPolarHBondContact O-CA 3.49Å; Y175-R179 VanDerWaalsContact O-CB 3.27Å; Y175-R179 WeakPolarHBondContact O-CB 3.39Å; Y175-R179 PolarHBondContact O-N 2.89Å; R179-N183 VanDerWaalsContact O-CA 3.28Å; R179-N183 WeakPolarHBondContact O-CA 3.39Å; R179-N183 WeakPolarHBondContact O-CB 3.33Å; R179-N183 PolarHBondContact O-N 3.47Å; R179-T184 PolarHBondContact NH1-O 3.04Å |
| 180 | E | 93.8 | Very high | 92.6 | Very high | 92 Ų | 92 | 29.7 Ų | 29.7 | 43% | 0.43 | 15% | 0.152 | S | C | . | . | I | π-helix | trans | -77.2 | -44.7 | -178.1 | -66.5 | -70.3 | 159.4 | 0 | 0 | 112.4 | Y175 F176 | Y175-E180 HydrophobicContact CD1-CG 4.25Å; Y175-E180 HydrophobicContact CE1-CG 3.97Å; Y175-E180 PolarHBondContact O-N 3.26Å; F176-E180 HydrophobicContact CD2-CB 3.88Å; F176-E180 HydrophobicContact CD2-CG 4.19Å; F176-E180 HydrophobicContact CE2-CB 4.22Å; F176-E180 HydrophobicContact CG-CB 4.43Å; F176-E180 WeakPolarHBondContact O-CB 3.45Å |
| 181 | T | 95.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -81.4 | -60.3 | -176.1 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | W139 Y140 F176 W177 W197 M198 | W139-T181 VanDerWaalsContact CD1-CG2 3.46Å; W139-T181 HydrophobicContact CG-CG2 4.39Å; W139-T181 PolarHBondContact NE1-OG1 3.25Å; W139-T181 VanDerWaalsContact NE1-OG1 3.1Å; Y140-T181 HydrophobicContact CE2-CG2 4.17Å; F176-T181 WeakPolarHBondContact CE1-OG1 3.44Å; F176-T181 VanDerWaalsContact O-CB 3.3Å; F176-T181 WeakPolarHBondContact O-CB 3.47Å; F176-T181 PolarHBondContact O-N 2.89Å; F176-T181 PolarHBondContact O-OG1 3.07Å; W177-T181 HydrophobicContact CE3-CG2 3.98Å; W177-T181 HydrophobicContact CZ3-CG2 3.97Å; W177-T181 WeakPolarHBondContact O-CB 3.48Å; T181-W197 PolarHBondContact O-NE1 3.38Å; T181-W197 VanDerWaalsContact O-NE1 3.1Å; T181-M198 HydrophobicContact CG2-CE 3.73Å; T181-M198 VanDerWaalsContact O-CE 3.24Å; T181-M198 WeakPolarHBondContact O-CE 3.38Å |
| 182 | L | 94.1 | Very high | 92.2 | Very high | 11 Ų | 11 | 31.6 Ų | 31.6 | 6% | 0.058 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -87.2 | -31.2 | -174.5 | -64.9 | 177.1 | 0 | 0 | 0 | 113.5 | W136 W177 T184 M198 N480 | W136-L182 HydrophobicContact CZ2-CD2 3.78Å; W177-L182 HydrophobicContact CD2-CD1 3.98Å; W177-L182 HydrophobicContact CD2-CG 4.31Å; W177-L182 VanDerWaalsContact CE2-CD1 3.46Å; W177-L182 HydrophobicContact CE3-CG 4.41Å; W177-L182 HydrophobicContact CG-CD1 4.46Å; W177-L182 HydrophobicContact CH2-CD1 4.23Å; W177-L182 HydrophobicContact CH2-CD2 4.22Å; W177-L182 HydrophobicContact CH2-CG 4.36Å; W177-L182 HydrophobicContact CZ2-CD1 3.62Å; W177-L182 HydrophobicContact CZ2-CD2 4.39Å; W177-L182 HydrophobicContact CZ2-CG 4.23Å; W177-L182 HydrophobicContact CZ3-CG 4.44Å; W177-L182 WeakPolarHBondContact O-CB 3.22Å; W177-L182 WeakPolarHBondContact O-CG 3.42Å; W177-L182 PolarHBondContact O-N 3.42Å; L182-T184 VanDerWaalsContact C-N 3.33Å; L182-T184 PolarHBondContact O-N 3.37Å; L182-M198 HydrophobicContact CD2-CE 4.43Å; L182-N480 HydrophobicContact CD1-CB 3.88Å |
| 183 | N | 94.6 | Very high | 92 | Very high | 39 Ų | 39 | 32.1 Ų | 32.1 | 21% | 0.209 | 19% | 0.187 | C | C | . | . | trans | 48.9 | 53.6 | -169.1 | -171.5 | 14.7 | 0 | 0 | 0 | 112.4 | Y178 R179 Q195 W197 R477 | Y178-N183 CarbonylContact O-C 3.23Å; Y178-N183 WeakPolarHBondContact O-CA 3.4Å; Y178-N183 PolarHBondContact O-N 3.06Å; Y178-N183 VanDerWaalsContact O-N 3.1Å; R179-N183 VanDerWaalsContact O-CA 3.28Å; R179-N183 WeakPolarHBondContact O-CA 3.39Å; R179-N183 WeakPolarHBondContact O-CB 3.33Å; R179-N183 PolarHBondContact O-N 3.47Å; N183-Q195 PolarHBondContact ND2-OE1 3.3Å; N183-W197 HydrophobicContact CB-CZ2 4.31Å; N183-R477 WeakPolarHBondContact O-CB 3.17Å; N183-R477 VanDerWaalsContact O-CG 3.29Å; N183-R477 WeakPolarHBondContact O-CG 3.41Å; N183-R477 PolarHBondContact O-NE 3Å | ||
| 184 | T | 92 | Very high | 92 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | trans | -63.9 | 147.5 | -168 | -165.2 | 0 | 0 | 0 | 0 | 113.3 | Y178 R179 L182 R477 Y481 W564 | Y178-T184 HydrophobicContact CD1-CG2 4.12Å; Y178-T184 PolarHBondContact O-N 2.83Å; R179-T184 PolarHBondContact NH1-O 3.04Å; L182-T184 VanDerWaalsContact C-N 3.33Å; L182-T184 PolarHBondContact O-N 3.37Å; T184-R477 WeakPolarHBondContact CA-O 3.5Å; T184-R477 PolarHBondContact O-NH2 2.87Å; T184-R477 VanDerWaalsContact O-NH2 3.11Å; T184-Y481 PolarHBondContact OG1-OH 3.06Å; T184-Y481 VanDerWaalsContact OG1-OH 3.11Å; T184-W564 HydrophobicContact CG2-CB 3.71Å; T184-W564 HydrophobicContact CG2-CG 4.05Å | ||
| 185 | S | 93.3 | Very high | 92.2 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.014 | 21% | 0.208 | C | C | . | . | trans | -83.4 | 171.1 | 166.9 | 58.4 | 0 | 0 | 0 | 0 | 111 | A187 E190 R477 Y481 | S185-A187 PolarHBondContact OG-O 2.98Å; S185-E190 WeakPolarHBondContact CB-O 3.37Å; S185-E190 PolarHBondContact OG-O 3.47Å; S185-E190 VanDerWaalsContact OG-O 3.05Å; S185-R477 PolarHBondContact N-O 3.36Å; S185-Y481 PolarHBondContact O-OH 3.36Å | ||
| 186 | T | 91 | Very high | 92.2 | Very high | 45 Ų | 45 | 43.2 Ų | 43.2 | 28% | 0.276 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -89 | -2.9 | 175.5 | 57 | 0 | 0 | 0 | 0 | 112.6 | E190 V563 R577 | T186-E190 PolarHBondContact OG1-OE2 3.2Å; T186-V563 WeakPolarHBondContact O-CG1 3.39Å; T186-R577 VanDerWaalsContact O-CZ 3.25Å; T186-R577 PolarHBondContact O-NH1 3.38Å |
| 187 | A | 90 | Very high | 92.3 | Very high | 10 Ų | 10 | 45.2 Ų | 45.2 | 8% | 0.083 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -153.7 | 153.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S185 D189 E190 | S185-A187 PolarHBondContact OG-O 2.98Å; A187-D189 VanDerWaalsContact C-N 3.29Å; A187-D189 PolarHBondContact O-N 3.4Å; A187-E190 HydrophobicContact CB-CG 4.29Å; A187-E190 PolarHBondContact O-N 3.44Å |
| 188 | I | 90.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -33.2 | 176.2 | -167.5 | 163.5 | 0 | 0 | 0 | 113 | E190 S478 Y481 W482 Y561 Y579 P580 W582 I583 | I188-E190 VanDerWaalsContact C-N 3.25Å; I188-E190 PolarHBondContact O-N 3.25Å; I188-S478 WeakPolarHBondContact O-CB 3.43Å; I188-S478 PolarHBondContact O-OG 3.45Å; I188-Y481 HydrophobicContact CB-CD2 4.34Å; I188-W482 HydrophobicContact CD1-CD2 4.4Å; I188-Y561 HydrophobicContact CB-CE2 4.36Å; I188-Y561 PolarHBondContact N-OH 3.49Å; I188-Y579 HydrophobicContact CD1-CD1 4.5Å; I188-Y579 HydrophobicContact CD1-CE1 4.08Å; I188-P580 HydrophobicContact CG2-CG 3.85Å; I188-W582 HydrophobicContact CG2-CZ2 4.39Å; I188-I583 HydrophobicContact CD1-CD1 3.76Å |
| 189 | D | 89.3 | Confident | 92.4 | Very high | 90 Ų | 90 | 46.1 Ų | 46.1 | 48% | 0.481 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -25.2 | 178.3 | -63.4 | -45.3 | 0 | 0 | 0 | 112.4 | A187 S191 P580 W582 | A187-D189 VanDerWaalsContact C-N 3.29Å; A187-D189 PolarHBondContact O-N 3.4Å; D189-S191 PolarHBondContact O-N 3.26Å; D189-S191 VanDerWaalsContact O-N 3.15Å; D189-P580 WeakPolarHBondContact OD2-CG 3.22Å; D189-W582 VanDerWaalsContact OD1-CE2 3.29Å; D189-W582 VanDerWaalsContact OD1-CZ2 3.23Å; D189-W582 WeakPolarHBondContact OD1-CZ2 3.4Å; D189-W582 PolarHBondContact OD1-NE1 2.81Å |
| 190 | E | 90.1 | Very high | 92.6 | Very high | 108 Ų | 108 | 48.5 Ų | 48.5 | 51% | 0.505 | 26% | 0.264 | S | S | . | . | trans | -89.4 | 75.3 | 179.4 | -66.8 | -175.2 | -172.5 | 0 | 0 | 110.7 | S185 T186 A187 I188 G192 | S185-E190 WeakPolarHBondContact CB-O 3.37Å; S185-E190 PolarHBondContact OG-O 3.47Å; S185-E190 VanDerWaalsContact OG-O 3.05Å; T186-E190 PolarHBondContact OG1-OE2 3.2Å; A187-E190 HydrophobicContact CB-CG 4.29Å; A187-E190 PolarHBondContact O-N 3.44Å; I188-E190 VanDerWaalsContact C-N 3.25Å; I188-E190 PolarHBondContact O-N 3.25Å; E190-G192 VanDerWaalsContact C-N 3.28Å; E190-G192 PolarHBondContact O-N 2.79Å | ||
| 191 | S | 83.3 | Confident | 92.8 | Very high | 43 Ų | 43 | 44.2 Ų | 44.2 | 30% | 0.301 | 25% | 0.245 | S | C | . | . | trans | -70.9 | -22.8 | -170.9 | -37 | 0 | 0 | 0 | 0 | 114.2 | D189 R477 S478 | D189-S191 PolarHBondContact O-N 3.26Å; D189-S191 VanDerWaalsContact O-N 3.15Å; S191-R477 PolarHBondContact O-N 3.11Å; S191-S478 WeakPolarHBondContact CA-OG 3.15Å | ||
| 192 | G | 87.1 | Confident | 92.8 | Very high | 53 Ų | 53 | 44.3 Ų | 44.3 | 55% | 0.546 | 25% | 0.245 | S | C | . | . | trans | 58.8 | -153.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E190 | E190-G192 VanDerWaalsContact C-N 3.28Å; E190-G192 PolarHBondContact O-N 2.79Å | ||
| 193 | G | 89.9 | Confident | 93 | Very high | 43 Ų | 43 | 47.2 Ų | 47.2 | 44% | 0.443 | 26% | 0.26 | S | S | . | . | trans | -100.2 | 167.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q195 | G193-Q195 PolarHBondContact O-N 3.14Å; G193-Q195 PolarHBondContact O-NE2 3.24Å | ||
| 194 | L | 93.9 | Very high | 93.1 | Very high | 93 Ų | 93 | 46.7 Ų | 46.7 | 49% | 0.487 | 26% | 0.261 | S | S | . | . | trans | -65.7 | 126.8 | 172 | -70.8 | 169.5 | 0 | 0 | 0 | 110.5 | W196 V199 L472 A475 L476 | L194-W196 PolarHBondContact O-N 2.94Å; L194-V199 HydrophobicContact CB-CG2 4.32Å; L194-L472 HydrophobicContact CD2-CB 4.29Å; L194-L472 VanDerWaalsContact CD2-O 3.28Å; L194-L472 WeakPolarHBondContact CD2-O 3.48Å; L194-A475 HydrophobicContact CD2-CB 4.25Å; L194-L476 HydrophobicContact CD2-CD2 3.7Å; L194-L476 HydrophobicContact CD2-CG 4.18Å; L194-L476 HydrophobicContact CG-CD2 4.04Å | ||
| 195 | Q | 95.3 | Very high | 93.4 | Very high | 21 Ų | 21 | 46.7 Ų | 46.7 | 10% | 0.098 | 26% | 0.261 | C | S | . | . | trans | -81.3 | 109.8 | 175.7 | -55.3 | -52.4 | -65.6 | 0 | 0 | 109.2 | N183 G193 W197 M198 V199 A475 R477 | N183-Q195 PolarHBondContact ND2-OE1 3.3Å; G193-Q195 PolarHBondContact O-N 3.14Å; G193-Q195 PolarHBondContact O-NE2 3.24Å; Q195-W197 VanDerWaalsContact C-N 3.35Å; Q195-W197 HydrophobicContact CB-CZ2 4.07Å; Q195-W197 HydrophobicContact CG-CZ2 4.31Å; Q195-W197 PolarHBondContact O-N 3.03Å; Q195-W197 VanDerWaalsContact OE1-CZ2 3.23Å; Q195-M198 HydrophobicContact CB-CB 4.1Å; Q195-M198 WeakPolarHBondContact O-CB 3.37Å; Q195-M198 PolarHBondContact O-N 3.01Å; Q195-M198 VanDerWaalsContact O-N 3.1Å; Q195-V199 WeakPolarHBondContact O-CG2 3.35Å; Q195-V199 PolarHBondContact O-N 3.21Å; Q195-A475 PolarHBondContact N-O 3.48Å; Q195-R477 VanDerWaalsContact NE2-CG 3.34Å | ||
| 196 | W | 95.7 | Very high | 93.5 | Very high | 175 Ų | 175 | 47 Ų | 47 | 66% | 0.663 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -63.3 | -36.1 | -168.3 | 67.9 | -92.4 | 0 | 0 | 0 | 113.6 | L194 M198 V199 L200 | L194-W196 PolarHBondContact O-N 2.94Å; W196-M198 VanDerWaalsContact C-N 3.3Å; W196-M198 PolarHBondContact O-N 3.46Å; W196-V199 PolarHBondContact O-N 3.07Å; W196-L200 HydrophobicContact CE3-CD1 3.63Å; W196-L200 HydrophobicContact CE3-CG 4.4Å; W196-L200 HydrophobicContact CZ3-CD1 3.61Å; W196-L200 WeakPolarHBondContact O-CG 3.42Å; W196-L200 PolarHBondContact O-N 3.07Å |
| 197 | W | 96.1 | Very high | 93.8 | Very high | 55 Ų | 55 | 48.4 Ų | 48.4 | 21% | 0.208 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.6 | -39.1 | 176.2 | 51.5 | 86.8 | 0 | 0 | 0 | 111.4 | W139 T181 N183 Q195 L200 A201 | W139-W197 HydrophobicContact CH2-CB 4.01Å; W139-W197 HydrophobicContact CH2-CG 4.24Å; W139-W197 HydrophobicContact CZ3-CB 3.78Å; W139-W197 HydrophobicContact CZ3-CG 4.38Å; T181-W197 PolarHBondContact O-NE1 3.38Å; T181-W197 VanDerWaalsContact O-NE1 3.1Å; N183-W197 HydrophobicContact CB-CZ2 4.31Å; Q195-W197 VanDerWaalsContact C-N 3.35Å; Q195-W197 HydrophobicContact CB-CZ2 4.07Å; Q195-W197 HydrophobicContact CG-CZ2 4.31Å; Q195-W197 PolarHBondContact O-N 3.03Å; Q195-W197 VanDerWaalsContact OE1-CZ2 3.23Å; W197-L200 PolarHBondContact O-N 3.18Å; W197-A201 PolarHBondContact O-N 3.36Å |
| 198 | M | 95.8 | Very high | 94.1 | Very high | 8 Ų | 8 | 50.3 Ų | 50.3 | 4% | 0.039 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.3 | -38.7 | 176.5 | -163.7 | 57.7 | 69.3 | 0 | 0 | 111.8 | W136 T181 L182 Q195 W196 L200 A201 L202 A475 | W136-M198 PolarHBondContact NE1-SD 3.4Å; T181-M198 HydrophobicContact CG2-CE 3.73Å; T181-M198 VanDerWaalsContact O-CE 3.24Å; T181-M198 WeakPolarHBondContact O-CE 3.38Å; L182-M198 HydrophobicContact CD2-CE 4.43Å; Q195-M198 HydrophobicContact CB-CB 4.1Å; Q195-M198 WeakPolarHBondContact O-CB 3.37Å; Q195-M198 PolarHBondContact O-N 3.01Å; Q195-M198 VanDerWaalsContact O-N 3.1Å; W196-M198 VanDerWaalsContact C-N 3.3Å; W196-M198 PolarHBondContact O-N 3.46Å; M198-L200 VanDerWaalsContact C-N 3.33Å; M198-L200 PolarHBondContact O-N 2.93Å; M198-A201 PolarHBondContact O-N 3.25Å; M198-L202 WeakPolarHBondContact O-CB 3.48Å; M198-L202 PolarHBondContact O-N 2.88Å; M198-A475 HydrophobicContact CB-CB 4.23Å; M198-A475 HydrophobicContact CG-CB 4.1Å |
| 199 | V | 96.8 | Very high | 94.3 | Very high | 27 Ų | 27 | 50.3 Ų | 50.3 | 16% | 0.164 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.4 | -41.4 | 173.5 | 174.6 | 0 | 0 | 0 | 0 | 111.2 | L194 Q195 W196 L202 I203 L472 A475 | L194-V199 HydrophobicContact CB-CG2 4.32Å; Q195-V199 WeakPolarHBondContact O-CG2 3.35Å; Q195-V199 PolarHBondContact O-N 3.21Å; W196-V199 PolarHBondContact O-N 3.07Å; V199-L202 PolarHBondContact O-N 3.31Å; V199-I203 HydrophobicContact CG1-CD1 3.92Å; V199-I203 HydrophobicContact CG1-CG1 4.48Å; V199-I203 VanDerWaalsContact O-CG1 3.3Å; V199-I203 WeakPolarHBondContact O-CG1 3.24Å; V199-I203 PolarHBondContact O-N 3.42Å; V199-L472 HydrophobicContact CG1-CD2 4.07Å; V199-L472 HydrophobicContact CG2-CD2 4.11Å; V199-A475 HydrophobicContact CG2-CB 3.83Å |
| 200 | L | 97.2 | Very high | 94.6 | Very high | 101 Ų | 101 | 49.2 Ų | 49.2 | 53% | 0.529 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.3 | -43.3 | 175.8 | -69 | 177.4 | 0 | 0 | 0 | 112.1 | W196 W197 M198 L202 I203 A204 | W196-L200 HydrophobicContact CE3-CD1 3.63Å; W196-L200 HydrophobicContact CE3-CG 4.4Å; W196-L200 HydrophobicContact CZ3-CD1 3.61Å; W196-L200 WeakPolarHBondContact O-CG 3.42Å; W196-L200 PolarHBondContact O-N 3.07Å; W197-L200 PolarHBondContact O-N 3.18Å; M198-L200 VanDerWaalsContact C-N 3.33Å; M198-L200 PolarHBondContact O-N 2.93Å; L200-L202 VanDerWaalsContact C-N 3.29Å; L200-L202 PolarHBondContact O-N 3.16Å; L200-I203 PolarHBondContact O-N 2.82Å; L200-A204 WeakPolarHBondContact O-CB 3.21Å; L200-A204 PolarHBondContact O-N 3.26Å |
| 201 | A | 97.1 | Very high | 94.8 | Very high | 3 Ų | 3 | 48.4 Ų | 48.4 | 3% | 0.025 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61 | -40.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A135 W139 W197 M198 A204 A205 | A135-A201 HydrophobicContact CB-CB 4.12Å; W139-A201 HydrophobicContact CB-CB 4.42Å; W197-A201 PolarHBondContact O-N 3.36Å; M198-A201 PolarHBondContact O-N 3.25Å; A201-A204 PolarHBondContact O-N 3.48Å; A201-A205 PolarHBondContact O-N 3.19Å |
| 202 | L | 96.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.2 | -43.9 | 177.4 | -172.7 | 65.7 | 0 | 0 | 0 | 112.1 | A135 M198 V199 L200 A204 A205 W206 L468 L472 | A135-L202 HydrophobicContact CB-CB 4.17Å; A135-L202 HydrophobicContact CB-CD1 4.12Å; M198-L202 WeakPolarHBondContact O-CB 3.48Å; M198-L202 PolarHBondContact O-N 2.88Å; V199-L202 PolarHBondContact O-N 3.31Å; L200-L202 VanDerWaalsContact C-N 3.29Å; L200-L202 PolarHBondContact O-N 3.16Å; L202-A204 VanDerWaalsContact C-N 3.29Å; L202-A204 PolarHBondContact O-N 3.46Å; L202-A205 PolarHBondContact O-N 3.3Å; L202-W206 VanDerWaalsContact O-CD1 3.27Å; L202-W206 PolarHBondContact O-N 3.09Å; L202-L468 HydrophobicContact CB-CD1 4.48Å; L202-L468 HydrophobicContact CD2-CD1 3.87Å; L202-L468 HydrophobicContact CG-CD1 3.73Å; L202-L472 HydrophobicContact CD2-CD2 4.35Å |
| 203 | I | 97.5 | Very high | 95.4 | Very high | 71 Ų | 71 | 45.2 Ų | 45.2 | 36% | 0.364 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.9 | -43.1 | 173.9 | -69.9 | 166 | 0 | 0 | 0 | 110.3 | V199 L200 T207 L468 | V199-I203 HydrophobicContact CG1-CD1 3.92Å; V199-I203 HydrophobicContact CG1-CG1 4.48Å; V199-I203 VanDerWaalsContact O-CG1 3.3Å; V199-I203 WeakPolarHBondContact O-CG1 3.24Å; V199-I203 PolarHBondContact O-N 3.42Å; L200-I203 PolarHBondContact O-N 2.82Å; I203-T207 VanDerWaalsContact O-CB 3.3Å; I203-T207 WeakPolarHBondContact O-CB 3.34Å; I203-T207 PolarHBondContact O-N 2.84Å; I203-T207 PolarHBondContact O-OG1 3.1Å; I203-L468 HydrophobicContact CG1-CD1 4.17Å; I203-L468 HydrophobicContact CG1-CD2 4.24Å |
| 204 | A | 97.3 | Very high | 95.5 | Very high | 29 Ų | 29 | 45.6 Ų | 45.6 | 24% | 0.24 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.7 | -45.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | M138 L200 A201 L202 T207 V208 | M138-A204 HydrophobicContact CE-CB 3.49Å; M138-A204 VanDerWaalsContact CE-CB 3.49Å; M138-A204 HydrophobicContact SD-CB 4.36Å; L200-A204 WeakPolarHBondContact O-CB 3.21Å; L200-A204 PolarHBondContact O-N 3.26Å; A201-A204 PolarHBondContact O-N 3.48Å; L202-A204 VanDerWaalsContact C-N 3.29Å; L202-A204 PolarHBondContact O-N 3.46Å; A204-T207 PolarHBondContact O-N 3.34Å; A204-V208 WeakPolarHBondContact O-CG2 3.1Å; A204-V208 PolarHBondContact O-N 3.15Å |
| 205 | A | 97 | Very high | 95.2 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.008 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.5 | -49.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | M134 A135 M138 A201 L202 T207 V208 L209 | M134-A205 HydrophobicContact CB-CB 4.27Å; A135-A205 HydrophobicContact CB-CB 4.27Å; M138-A205 VanDerWaalsContact SD-CA 3.5Å; M138-A205 HydrophobicContact SD-CB 3.78Å; A201-A205 PolarHBondContact O-N 3.19Å; L202-A205 PolarHBondContact O-N 3.3Å; A205-T207 VanDerWaalsContact C-N 3.31Å; A205-T207 PolarHBondContact O-N 3.23Å; A205-V208 PolarHBondContact O-N 3.03Å; A205-L209 WeakPolarHBondContact O-CB 3.46Å; A205-L209 PolarHBondContact O-N 3.06Å |
| 206 | W | 96.6 | Very high | 94.8 | Very high | 7 Ų | 7 | 47.8 Ų | 47.8 | 3% | 0.027 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.2 | -35.2 | 176.7 | -81.4 | 105.4 | 0 | 0 | 0 | 112.9 | N131 L202 L209 Y210 M433 I437 C464 L468 | N131-W206 HydrophobicContact CB-CD2 4.49Å; N131-W206 HydrophobicContact CB-CH2 4.09Å; N131-W206 HydrophobicContact CB-CZ2 3.56Å; N131-W206 PolarHBondContact ND2-N 3.45Å; N131-W206 PolarHBondContact ND2-NE1 3.43Å; N131-W206 VanDerWaalsContact ND2-NE1 3.14Å; L202-W206 VanDerWaalsContact O-CD1 3.27Å; L202-W206 PolarHBondContact O-N 3.09Å; W206-L209 HydrophobicContact CE3-CD2 3.85Å; W206-L209 HydrophobicContact CH2-CD2 4.34Å; W206-L209 HydrophobicContact CZ3-CD2 3.6Å; W206-L209 PolarHBondContact O-N 3.43Å; W206-Y210 WeakPolarHBondContact O-CB 3.41Å; W206-Y210 PolarHBondContact O-N 3.36Å; W206-M433 HydrophobicContact CH2-CE 4.19Å; W206-I437 HydrophobicContact CZ3-CD1 4.14Å; W206-C464 HydrophobicContact CE3-CB 3.82Å; W206-C464 HydrophobicContact CZ3-CB 4.24Å; W206-L468 VanDerWaalsContact CD1-CD1 3.46Å; W206-L468 HydrophobicContact CD2-CB 4.34Å; W206-L468 HydrophobicContact CG-CB 3.94Å; W206-L468 HydrophobicContact CG-CD1 4.17Å |
| 207 | T | 96 | Very high | 94.3 | Very high | 75 Ų | 75 | 39.7 Ų | 39.7 | 46% | 0.46 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65.6 | -46.7 | 177.4 | -59.2 | 0 | 0 | 0 | 0 | 111 | I203 A204 A205 L209 Y210 V211 | I203-T207 VanDerWaalsContact O-CB 3.3Å; I203-T207 WeakPolarHBondContact O-CB 3.34Å; I203-T207 PolarHBondContact O-N 2.84Å; I203-T207 PolarHBondContact O-OG1 3.1Å; A204-T207 PolarHBondContact O-N 3.34Å; A205-T207 VanDerWaalsContact C-N 3.31Å; A205-T207 PolarHBondContact O-N 3.23Å; T207-L209 PolarHBondContact O-N 3.39Å; T207-Y210 PolarHBondContact O-N 3.48Å; T207-V211 VanDerWaalsContact O-CG2 3.31Å; T207-V211 WeakPolarHBondContact O-CG2 3.43Å; T207-V211 PolarHBondContact O-N 3.17Å |
| 208 | V | 96 | Very high | 93.8 | Very high | 50 Ų | 50 | 41.8 Ų | 41.8 | 30% | 0.303 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.8 | -45.3 | 177.1 | 175.2 | 0 | 0 | 0 | 0 | 110.7 | A204 A205 Y210 V211 C212 F426 L430 | A204-V208 WeakPolarHBondContact O-CG2 3.1Å; A204-V208 PolarHBondContact O-N 3.15Å; A205-V208 PolarHBondContact O-N 3.03Å; V208-Y210 PolarHBondContact O-N 3.14Å; V208-V211 PolarHBondContact O-N 3.36Å; V208-C212 PolarHBondContact O-N 3.41Å; V208-C212 PolarHBondContact O-SG 2.99Å; V208-C212 VanDerWaalsContact O-SG 3.37Å; V208-F426 HydrophobicContact CB-CZ 4.31Å; V208-F426 HydrophobicContact CG1-CE1 4.22Å; V208-F426 HydrophobicContact CG1-CZ 3.84Å; V208-L430 HydrophobicContact CG1-CD2 4.25Å |
| 209 | L | 95.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.8 | -46.8 | 177 | 179.1 | 60.3 | 0 | 0 | 0 | 112 | A205 W206 T207 V211 C212 C213 L430 M433 F434 I437 | A205-L209 WeakPolarHBondContact O-CB 3.46Å; A205-L209 PolarHBondContact O-N 3.06Å; W206-L209 HydrophobicContact CE3-CD2 3.85Å; W206-L209 HydrophobicContact CH2-CD2 4.34Å; W206-L209 HydrophobicContact CZ3-CD2 3.6Å; W206-L209 PolarHBondContact O-N 3.43Å; T207-L209 PolarHBondContact O-N 3.39Å; L209-V211 PolarHBondContact O-N 3.01Å; L209-C212 PolarHBondContact O-N 3.2Å; L209-C213 PolarHBondContact O-N 3.2Å; L209-L430 HydrophobicContact CB-CD1 4.42Å; L209-L430 HydrophobicContact CD1-CD1 4.02Å; L209-M433 HydrophobicContact CD1-CB 3.67Å; L209-M433 HydrophobicContact CD2-CB 4.14Å; L209-M433 HydrophobicContact CD2-CE 3.43Å; L209-M433 VanDerWaalsContact CD2-CE 3.43Å; L209-F434 HydrophobicContact CD1-CD1 3.93Å; L209-F434 HydrophobicContact CD1-CE1 4.13Å; L209-I437 HydrophobicContact CD1-CG1 4.38Å; L209-I437 HydrophobicContact CD2-CD1 4.27Å; L209-I437 HydrophobicContact CD2-CG1 3.98Å; L209-I437 HydrophobicContact CG-CG1 4.37Å |
| 210 | Y | 95.1 | Very high | 93.3 | Very high | 68 Ų | 68 | 42.1 Ų | 42.1 | 27% | 0.267 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.8 | -45.6 | 177.8 | 173.7 | -115.3 | 0 | 0 | 0 | 112 | W206 T207 V208 C212 C213 I214 E457 | W206-Y210 WeakPolarHBondContact O-CB 3.41Å; W206-Y210 PolarHBondContact O-N 3.36Å; T207-Y210 PolarHBondContact O-N 3.48Å; V208-Y210 PolarHBondContact O-N 3.14Å; Y210-C212 VanDerWaalsContact C-N 3.3Å; Y210-C212 PolarHBondContact O-N 3.36Å; Y210-C213 CarbonylContact O-C 3.45Å; Y210-C213 PolarHBondContact O-N 3.33Å; Y210-I214 HydrophobicContact CE1-CD1 4.1Å; Y210-I214 HydrophobicContact CE2-CG1 4.24Å; Y210-I214 WeakPolarHBondContact O-CA 3.17Å; Y210-I214 WeakPolarHBondContact O-CB 3.29Å; Y210-I214 PolarHBondContact O-N 3.13Å; Y210-E457 PolarHBondContact OH-O 3.25Å |
| 211 | V | 94.4 | Very high | 92.8 | Very high | 90 Ų | 90 | 37.3 Ų | 37.3 | 55% | 0.545 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.6 | -40.8 | 178.8 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | T207 V208 L209 I214 | T207-V211 VanDerWaalsContact O-CG2 3.31Å; T207-V211 WeakPolarHBondContact O-CG2 3.43Å; T207-V211 PolarHBondContact O-N 3.17Å; V208-V211 PolarHBondContact O-N 3.36Å; L209-V211 PolarHBondContact O-N 3.01Å; V211-I214 WeakPolarHBondContact O-CG2 3.33Å |
| 212 | C | 93.6 | Very high | 92.4 | Very high | 24 Ų | 24 | 43.8 Ų | 43.8 | 16% | 0.162 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69 | -35.9 | 177.6 | -68.1 | 0 | 0 | 0 | 0 | 113 | V208 L209 Y210 T219 T220 A223 F434 | V208-C212 PolarHBondContact O-N 3.41Å; V208-C212 PolarHBondContact O-SG 2.99Å; V208-C212 VanDerWaalsContact O-SG 3.37Å; L209-C212 PolarHBondContact O-N 3.2Å; Y210-C212 VanDerWaalsContact C-N 3.3Å; Y210-C212 PolarHBondContact O-N 3.36Å; C212-T219 CarbonylContact O-C 3.56Å; C212-T219 VanDerWaalsContact O-CB 3.25Å; C212-T219 WeakPolarHBondContact O-CB 3.32Å; C212-T219 PolarHBondContact O-OG1 3.46Å; C212-T220 PolarHBondContact O-N 3.36Å; C212-A223 HydrophobicContact CB-CB 4.4Å; C212-F434 HydrophobicContact CB-CD1 4.45Å; C212-F434 HydrophobicContact CB-CE1 3.35Å; C212-F434 HydrophobicContact CB-CZ 3.58Å |
| 213 | C | 90.9 | Very high | 92.2 | Very high | 5 Ų | 5 | 44.7 Ų | 44.7 | 3% | 0.034 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -98.5 | 6.7 | -175.7 | -63.1 | 0 | 0 | 0 | 0 | 114.7 | L209 Y210 R215 G216 F434 I437 | L209-C213 PolarHBondContact O-N 3.2Å; Y210-C213 CarbonylContact O-C 3.45Å; Y210-C213 PolarHBondContact O-N 3.33Å; C213-R215 VanDerWaalsContact C-N 3.32Å; C213-R215 PolarHBondContact O-N 2.91Å; C213-G216 PolarHBondContact O-N 3.09Å; C213-F434 WeakPolarHBondContact SG-CD1 3.4Å; C213-I437 HydrophobicContact CB-CG2 4.4Å |
| 214 | I | 91 | Very high | 92 | Very high | 51 Ų | 51 | 41.3 Ų | 41.3 | 26% | 0.262 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -39.9 | -168.3 | -169.5 | 167.1 | 0 | 0 | 0 | 113.8 | Y210 V211 T219 E457 | Y210-I214 HydrophobicContact CE1-CD1 4.1Å; Y210-I214 HydrophobicContact CE2-CG1 4.24Å; Y210-I214 WeakPolarHBondContact O-CA 3.17Å; Y210-I214 WeakPolarHBondContact O-CB 3.29Å; Y210-I214 PolarHBondContact O-N 3.13Å; V211-I214 WeakPolarHBondContact O-CG2 3.33Å; I214-T219 HydrophobicContact CG2-CG2 4.05Å; I214-E457 HydrophobicContact CG1-CB 4.13Å; I214-E457 HydrophobicContact CG1-CG 3.84Å; I214-E457 WeakPolarHBondContact O-CA 3.36Å; I214-E457 WeakPolarHBondContact O-CG 3.22Å |
| 215 | R | 86.9 | Confident | 91.8 | Very high | 145 Ų | 145 | 43.8 Ų | 43.8 | 55% | 0.547 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | 18.2 | 177.1 | -66.6 | -179.8 | -176.8 | 173.6 | 4 | 113.2 | C213 T219 E457 | C213-R215 VanDerWaalsContact C-N 3.32Å; C213-R215 PolarHBondContact O-N 2.91Å; R215-T219 HydrophobicContact CB-CG2 3.86Å; R215-T219 HydrophobicContact CG-CG2 4.33Å; R215-T219 PolarHBondContact N-OG1 2.88Å; R215-E457 HydrophobicContact CG-CG 4.46Å |
| 216 | G | 87 | Confident | 91.7 | Very high | 16 Ų | 16 | 49 Ų | 49 | 17% | 0.165 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | -135.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | C213 E218 T219 T220 | C213-G216 PolarHBondContact O-N 3.09Å; G216-E218 PolarHBondContact O-N 2.93Å; G216-E218 VanDerWaalsContact O-N 3.12Å; G216-T219 PolarHBondContact O-N 2.99Å; G216-T219 PolarHBondContact O-OG1 2.97Å; G216-T220 WeakPolarHBondContact O-CB 3.36Å; G216-T220 PolarHBondContact O-N 3.34Å; G216-T220 PolarHBondContact O-OG1 3.37Å; G216-T220 VanDerWaalsContact O-OG1 3.08Å |
| 217 | I | 85.2 | Confident | 91.5 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.9 | -25 | -168.8 | 69.4 | 173.3 | 0 | 0 | 0 | 114.9 | P34 W36 G221 F290 Y293 | P34-I217 HydrophobicContact CB-CD1 3.68Å; P34-I217 HydrophobicContact CB-CG1 3.75Å; P34-I217 HydrophobicContact CG-CD1 4.02Å; P34-I217 HydrophobicContact CG-CG1 4.19Å; W36-I217 HydrophobicContact CH2-CB 3.95Å; W36-I217 HydrophobicContact CH2-CG2 3.86Å; W36-I217 HydrophobicContact CZ2-CG2 4.25Å; W36-I217 HydrophobicContact CZ3-CB 3.92Å; W36-I217 HydrophobicContact CZ3-CG2 4.36Å; I217-G221 PolarHBondContact O-N 2.93Å; I217-F290 HydrophobicContact CG2-CD1 4.46Å; I217-F290 HydrophobicContact CG2-CE1 4.46Å; I217-Y293 HydrophobicContact CD1-CD1 4.05Å; I217-Y293 HydrophobicContact CD1-CD2 3.7Å; I217-Y293 HydrophobicContact CD1-CE1 4.42Å; I217-Y293 HydrophobicContact CD1-CE2 4.11Å; I217-Y293 HydrophobicContact CD1-CG 3.68Å; I217-Y293 HydrophobicContact CG2-CD2 3.93Å; I217-Y293 HydrophobicContact CG2-CE2 3.61Å |
| 218 | E | 86.3 | Confident | 91.3 | Very high | 99 Ų | 99 | 45.7 Ų | 45.7 | 46% | 0.463 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -67.4 | -35.6 | 179 | -67.1 | 178.2 | -164.4 | 0 | 0 | 112.9 | G216 | G216-E218 PolarHBondContact O-N 2.93Å; G216-E218 VanDerWaalsContact O-N 3.12Å |
| 219 | T | 90.5 | Very high | 91.2 | Very high | 37 Ų | 37 | 46.7 Ų | 46.7 | 23% | 0.227 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -92.1 | -43.7 | 177.1 | 51.4 | 0 | 0 | 0 | 0 | 110.9 | C212 I214 R215 G216 G221 K222 A223 | C212-T219 CarbonylContact O-C 3.56Å; C212-T219 VanDerWaalsContact O-CB 3.25Å; C212-T219 WeakPolarHBondContact O-CB 3.32Å; C212-T219 PolarHBondContact O-OG1 3.46Å; I214-T219 HydrophobicContact CG2-CG2 4.05Å; R215-T219 HydrophobicContact CB-CG2 3.86Å; R215-T219 HydrophobicContact CG-CG2 4.33Å; R215-T219 PolarHBondContact N-OG1 2.88Å; G216-T219 PolarHBondContact O-N 2.99Å; G216-T219 PolarHBondContact O-OG1 2.97Å; T219-G221 VanDerWaalsContact C-N 3.31Å; T219-G221 PolarHBondContact O-N 3.38Å; T219-K222 PolarHBondContact O-N 3.1Å; T219-A223 PolarHBondContact O-N 3.39Å; T219-A223 VanDerWaalsContact O-N 3.11Å |
| 220 | T | 90.8 | Very high | 91.2 | Very high | 6 Ų | 6 | 48.9 Ų | 48.9 | 4% | 0.037 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.7 | -45.5 | 177.8 | -64.9 | 0 | 0 | 0 | 0 | 111.3 | C212 G216 K222 A223 V224 F434 | C212-T220 PolarHBondContact O-N 3.36Å; G216-T220 WeakPolarHBondContact O-CB 3.36Å; G216-T220 PolarHBondContact O-N 3.34Å; G216-T220 PolarHBondContact O-OG1 3.37Å; G216-T220 VanDerWaalsContact O-OG1 3.08Å; T220-K222 PolarHBondContact O-N 3.47Å; T220-A223 PolarHBondContact O-N 2.96Å; T220-A223 VanDerWaalsContact O-N 3.16Å; T220-V224 PolarHBondContact O-N 3.42Å; T220-F434 HydrophobicContact CG2-CB 3.65Å; T220-F434 HydrophobicContact CG2-CD1 4.45Å; T220-F434 HydrophobicContact CG2-CD2 3.63Å; T220-F434 HydrophobicContact CG2-CE2 4.35Å; T220-F434 HydrophobicContact CG2-CG 3.67Å |
| 221 | G | 86.8 | Confident | 91.2 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -71.1 | -11 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q41 I217 T219 V224 Y225 | Q41-G221 WeakPolarHBondContact CG-O 3.5Å; I217-G221 PolarHBondContact O-N 2.93Å; T219-G221 VanDerWaalsContact C-N 3.31Å; T219-G221 PolarHBondContact O-N 3.38Å; G221-V224 VanDerWaalsContact O-CG1 3.26Å; G221-V224 WeakPolarHBondContact O-CG1 3.33Å; G221-Y225 VanDerWaalsContact O-CD2 3.27Å; G221-Y225 WeakPolarHBondContact O-CD2 3.44Å; G221-Y225 WeakPolarHBondContact O-CE2 3.47Å |
| 222 | K | 89.6 | Confident | 91.2 | Very high | 139 Ų | 139 | 44.4 Ų | 44.4 | 60% | 0.604 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -87.4 | -41.4 | 167.7 | -66.7 | 177.4 | -175.2 | 174.3 | 0 | 111.2 | T219 T220 V224 Y225 | T219-K222 PolarHBondContact O-N 3.1Å; T220-K222 PolarHBondContact O-N 3.47Å; K222-V224 VanDerWaalsContact C-N 3.27Å; K222-V224 PolarHBondContact O-N 3.23Å; K222-Y225 PolarHBondContact O-N 3.2Å |
| 223 | A | 92.4 | Very high | 91.3 | Very high | 20 Ų | 20 | 48.5 Ų | 48.5 | 17% | 0.165 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.8 | -38.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | C212 T219 T220 Y225 I226 T227 F434 | C212-A223 HydrophobicContact CB-CB 4.4Å; T219-A223 PolarHBondContact O-N 3.39Å; T219-A223 VanDerWaalsContact O-N 3.11Å; T220-A223 PolarHBondContact O-N 2.96Å; T220-A223 VanDerWaalsContact O-N 3.16Å; A223-Y225 PolarHBondContact O-N 3.33Å; A223-I226 PolarHBondContact O-N 2.55Å; A223-I226 VanDerWaalsContact O-N 3.07Å; A223-T227 PolarHBondContact O-N 3.35Å; A223-T227 PolarHBondContact O-OG1 2.95Å; A223-F434 HydrophobicContact CB-CE2 3.89Å; A223-F434 HydrophobicContact CB-CZ 3.81Å |
| 224 | V | 93.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.1 | -30.4 | -176.9 | 80.7 | 0 | 0 | 0 | 0 | 114.4 | L44 T220 G221 K222 I226 T227 S228 | L44-V224 HydrophobicContact CB-CG1 4.34Å; L44-V224 HydrophobicContact CB-CG2 4.25Å; L44-V224 WeakPolarHBondContact O-CG2 3.41Å; T220-V224 PolarHBondContact O-N 3.42Å; G221-V224 VanDerWaalsContact O-CG1 3.26Å; G221-V224 WeakPolarHBondContact O-CG1 3.33Å; K222-V224 VanDerWaalsContact C-N 3.27Å; K222-V224 PolarHBondContact O-N 3.23Å; V224-I226 PolarHBondContact O-N 2.84Å; V224-T227 VanDerWaalsContact CA-OG1 3.32Å; V224-T227 WeakPolarHBondContact CA-OG1 3.37Å; V224-T227 PolarHBondContact O-N 2.95Å; V224-S228 WeakPolarHBondContact CG2-OG 3.47Å; V224-S228 VanDerWaalsContact O-CB 3.26Å; V224-S228 WeakPolarHBondContact O-CB 3.34Å; V224-S228 PolarHBondContact O-N 3.11Å; V224-S228 PolarHBondContact O-OG 3.22Å |
| 225 | Y | 93.2 | Very high | 91.7 | Very high | 80 Ų | 80 | 46.4 Ų | 46.4 | 31% | 0.314 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.2 | -34.4 | 178.2 | -79.7 | -71.8 | 0 | 0 | 0 | 112 | N38 Q41 L44 G221 K222 A223 T229 | N38-Y225 VanDerWaalsContact CG-OH 3.32Å; N38-Y225 PolarHBondContact ND2-OH 3.04Å; N38-Y225 PolarHBondContact OD1-OH 2.95Å; Q41-Y225 HydrophobicContact CB-CE2 4.34Å; Q41-Y225 HydrophobicContact CG-CE2 4.38Å; L44-Y225 HydrophobicContact CD1-CD1 3.61Å; L44-Y225 HydrophobicContact CD1-CE1 3.7Å; G221-Y225 VanDerWaalsContact O-CD2 3.27Å; G221-Y225 WeakPolarHBondContact O-CD2 3.44Å; G221-Y225 WeakPolarHBondContact O-CE2 3.47Å; K222-Y225 PolarHBondContact O-N 3.2Å; A223-Y225 PolarHBondContact O-N 3.33Å; Y225-T229 WeakPolarHBondContact O-CB 3.38Å; Y225-T229 WeakPolarHBondContact O-CG2 3.43Å; Y225-T229 PolarHBondContact O-OG1 3.37Å |
| 226 | I | 93.9 | Very high | 92.2 | Very high | 111 Ų | 111 | 42.7 Ų | 42.7 | 57% | 0.569 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -86.3 | -50.9 | 176.7 | -63.5 | 166.7 | 0 | 0 | 0 | 109.3 | A223 V224 S228 T229 L230 | A223-I226 PolarHBondContact O-N 2.55Å; A223-I226 VanDerWaalsContact O-N 3.07Å; V224-I226 PolarHBondContact O-N 2.84Å; I226-S228 VanDerWaalsContact C-N 3.29Å; I226-S228 PolarHBondContact O-N 3.47Å; I226-T229 PolarHBondContact O-N 2.82Å; I226-L230 VanDerWaalsContact O-CB 3.28Å; I226-L230 WeakPolarHBondContact O-CB 3.2Å; I226-L230 PolarHBondContact O-N 2.94Å |
| 227 | T | 94.1 | Very high | 92.6 | Very high | 8 Ų | 8 | 44.9 Ų | 44.9 | 5% | 0.049 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.8 | -28.9 | -171.5 | 62.5 | 0 | 0 | 0 | 0 | 113 | A223 V224 P231 C427 L430 F434 | A223-T227 PolarHBondContact O-N 3.35Å; A223-T227 PolarHBondContact O-OG1 2.95Å; V224-T227 VanDerWaalsContact CA-OG1 3.32Å; V224-T227 WeakPolarHBondContact CA-OG1 3.37Å; V224-T227 PolarHBondContact O-N 2.95Å; T227-P231 WeakPolarHBondContact O-CD 3.49Å; T227-P231 WeakPolarHBondContact O-CG 3.04Å; T227-C427 WeakPolarHBondContact O-CB 3.4Å; T227-L430 HydrophobicContact CG2-CD2 3.86Å; T227-L430 HydrophobicContact CG2-CG 4.38Å; T227-F434 HydrophobicContact CG2-CE2 4.37Å |
| 228 | S | 91.7 | Very high | 93.1 | Very high | 5 Ų | 5 | 44.9 Ų | 44.9 | 4% | 0.035 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -20.3 | 177.5 | -62.6 | 0 | 0 | 0 | 0 | 114 | L44 G48 V224 I226 Y232 | L44-S228 PolarHBondContact O-OG 2.87Å; G48-S228 WeakPolarHBondContact CA-OG 3.09Å; V224-S228 WeakPolarHBondContact CG2-OG 3.47Å; V224-S228 VanDerWaalsContact O-CB 3.26Å; V224-S228 WeakPolarHBondContact O-CB 3.34Å; V224-S228 PolarHBondContact O-N 3.11Å; V224-S228 PolarHBondContact O-OG 3.22Å; I226-S228 VanDerWaalsContact C-N 3.29Å; I226-S228 PolarHBondContact O-N 3.47Å; S228-Y232 WeakPolarHBondContact O-CD2 3.29Å |
| 229 | T | 93.1 | Very high | 93.5 | Very high | 71 Ų | 71 | 41.7 Ų | 41.7 | 44% | 0.436 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -38.8 | -178.5 | 62.3 | 0 | 0 | 0 | 0 | 113 | L44 Y225 I226 P231 Y232 L233 | L44-T229 HydrophobicContact CD2-CG2 4.5Å; Y225-T229 WeakPolarHBondContact O-CB 3.38Å; Y225-T229 WeakPolarHBondContact O-CG2 3.43Å; Y225-T229 PolarHBondContact O-OG1 3.37Å; I226-T229 PolarHBondContact O-N 2.82Å; T229-P231 VanDerWaalsContact C-N 3.35Å; T229-Y232 PolarHBondContact O-N 3.49Å; T229-L233 PolarHBondContact O-N 3.29Å |
| 230 | L | 95.3 | Very high | 93.8 | Very high | 47 Ų | 47 | 44.5 Ų | 44.5 | 25% | 0.246 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.8 | -41.3 | -179.2 | -174.6 | 150.8 | 0 | 0 | 0 | 112.4 | I226 Y232 L233 V234 V423 C427 | I226-L230 VanDerWaalsContact O-CB 3.28Å; I226-L230 WeakPolarHBondContact O-CB 3.2Å; I226-L230 PolarHBondContact O-N 2.94Å; L230-Y232 VanDerWaalsContact C-N 3.34Å; L230-Y232 PolarHBondContact O-N 3.25Å; L230-L233 WeakPolarHBondContact O-CB 3.39Å; L230-L233 PolarHBondContact O-N 3.33Å; L230-V234 HydrophobicContact CD2-CG2 3.7Å; L230-V234 HydrophobicContact CG-CG2 4.27Å; L230-V234 WeakPolarHBondContact O-CG2 3.34Å; L230-V234 PolarHBondContact O-N 3.48Å; L230-V423 HydrophobicContact CD1-CG1 4.2Å; L230-V423 HydrophobicContact CD2-CG1 3.82Å; L230-C427 HydrophobicContact CD2-CB 4.49Å |
| 231 | P | 95 | Very high | 94 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.3 | -40.4 | 178 | -28.5 | 37.4 | 0 | 0 | 0 | 114.4 | T227 T229 L233 V234 L235 M424 C427 L428 | T227-P231 WeakPolarHBondContact O-CD 3.49Å; T227-P231 WeakPolarHBondContact O-CG 3.04Å; T229-P231 VanDerWaalsContact C-N 3.35Å; P231-L233 PolarHBondContact O-N 2.93Å; P231-V234 PolarHBondContact O-N 3.29Å; P231-L235 WeakPolarHBondContact O-CB 3.37Å; P231-L235 VanDerWaalsContact O-CG 3.29Å; P231-L235 WeakPolarHBondContact O-CG 3.12Å; P231-L235 PolarHBondContact O-N 2.99Å; P231-M424 HydrophobicContact CB-CG 4.08Å; P231-C427 HydrophobicContact CG-CB 3.67Å; P231-L428 HydrophobicContact CB-CD1 4.22Å; P231-L428 HydrophobicContact CB-CD2 3.5Å; P231-L428 HydrophobicContact CB-CG 3.63Å; P231-L428 HydrophobicContact CG-CD2 3.73Å; P231-L428 HydrophobicContact CG-CG 3.72Å |
| 232 | Y | 94.6 | Very high | 94.3 | Very high | 63 Ų | 63 | 47 Ų | 47 | 25% | 0.247 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.8 | -39 | 177.6 | -74.4 | -79 | 0 | 0 | 0 | 112.3 | V47 S228 T229 L230 T236 T314 | V47-Y232 HydrophobicContact CG1-CE2 4.43Å; S228-Y232 WeakPolarHBondContact O-CD2 3.29Å; T229-Y232 PolarHBondContact O-N 3.49Å; L230-Y232 VanDerWaalsContact C-N 3.34Å; L230-Y232 PolarHBondContact O-N 3.25Å; Y232-T236 WeakPolarHBondContact O-CB 3.47Å; Y232-T236 PolarHBondContact O-N 2.85Å; Y232-T236 PolarHBondContact O-OG1 3.12Å; Y232-T314 HydrophobicContact CE1-CG2 3.71Å; Y232-T314 WeakPolarHBondContact CE1-OG1 3.49Å; Y232-T314 PolarHBondContact OH-OG1 3.15Å |
| 233 | L | 96.2 | Very high | 94.6 | Very high | 110 Ų | 110 | 44.7 Ų | 44.7 | 58% | 0.576 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -61.3 | -48.6 | 174.3 | 178.8 | 65.3 | 0 | 0 | 0 | 110.7 | T229 L230 P231 T236 I237 | T229-L233 PolarHBondContact O-N 3.29Å; L230-L233 WeakPolarHBondContact O-CB 3.39Å; L230-L233 PolarHBondContact O-N 3.33Å; P231-L233 PolarHBondContact O-N 2.93Å; L233-T236 WeakPolarHBondContact O-CB 3.45Å; L233-T236 PolarHBondContact O-N 3.3Å; L233-I237 HydrophobicContact CG-CD1 4.22Å; L233-I237 WeakPolarHBondContact O-CG1 3.41Å; L233-I237 PolarHBondContact O-N 2.79Å |
| 234 | V | 95.9 | Very high | 94.7 | Very high | 6 Ų | 6 | 48.2 Ų | 48.2 | 4% | 0.036 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.3 | -42.5 | -178.3 | 177.5 | 0 | 0 | 0 | 0 | 111.5 | L230 P231 T236 I237 F238 L420 M424 | L230-V234 HydrophobicContact CD2-CG2 3.7Å; L230-V234 HydrophobicContact CG-CG2 4.27Å; L230-V234 WeakPolarHBondContact O-CG2 3.34Å; L230-V234 PolarHBondContact O-N 3.48Å; P231-V234 PolarHBondContact O-N 3.29Å; V234-T236 PolarHBondContact O-N 3.03Å; V234-I237 WeakPolarHBondContact O-CB 3.36Å; V234-I237 PolarHBondContact O-N 3.47Å; V234-I237 VanDerWaalsContact O-N 3.11Å; V234-F238 HydrophobicContact CG1-CD2 3.54Å; V234-F238 HydrophobicContact CG1-CE2 3.55Å; V234-F238 WeakPolarHBondContact O-CD2 3.43Å; V234-F238 PolarHBondContact O-N 3.07Å; V234-L420 HydrophobicContact CG1-CB 4.22Å; V234-M424 HydrophobicContact CB-CB 3.9Å; V234-M424 HydrophobicContact CB-CG 4.14Å; V234-M424 HydrophobicContact CB-SD 4.1Å; V234-M424 HydrophobicContact CG1-CB 3.67Å; V234-M424 HydrophobicContact CG1-CG 4.12Å; V234-M424 HydrophobicContact CG1-SD 3.76Å; V234-M424 HydrophobicContact CG2-CB 4.35Å |
| 235 | L | 94.6 | Very high | 94.7 | Very high | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.7 | -38.5 | 173.2 | -75.3 | 172.8 | 0 | 0 | 0 | 111.8 | P231 F238 L239 Y317 V321 M424 | P231-L235 WeakPolarHBondContact O-CB 3.37Å; P231-L235 VanDerWaalsContact O-CG 3.29Å; P231-L235 WeakPolarHBondContact O-CG 3.12Å; P231-L235 PolarHBondContact O-N 2.99Å; L235-F238 PolarHBondContact O-N 3.28Å; L235-L239 WeakPolarHBondContact O-CB 3.4Å; L235-L239 PolarHBondContact O-N 3.44Å; L235-Y317 HydrophobicContact CB-CD1 4.47Å; L235-Y317 HydrophobicContact CB-CE1 3.75Å; L235-Y317 HydrophobicContact CD1-CD1 4.42Å; L235-Y317 HydrophobicContact CD1-CE1 4.44Å; L235-V321 HydrophobicContact CD2-CG1 4.38Å; L235-M424 HydrophobicContact CD2-CE 4.27Å; L235-M424 HydrophobicContact CD2-SD 3.61Å; L235-M424 HydrophobicContact CG-SD 3.67Å |
| 236 | T | 96.1 | Very high | 94.7 | Very high | 67 Ų | 67 | 50.7 Ų | 50.7 | 41% | 0.411 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 176 | -54.5 | 0 | 0 | 0 | 0 | 112 | Y232 L233 V234 L239 V240 Y317 | Y232-T236 WeakPolarHBondContact O-CB 3.47Å; Y232-T236 PolarHBondContact O-N 2.85Å; Y232-T236 PolarHBondContact O-OG1 3.12Å; L233-T236 WeakPolarHBondContact O-CB 3.45Å; L233-T236 PolarHBondContact O-N 3.3Å; V234-T236 PolarHBondContact O-N 3.03Å; T236-L239 PolarHBondContact O-N 3.49Å; T236-V240 WeakPolarHBondContact O-CG2 3.46Å; T236-V240 PolarHBondContact O-N 3.33Å; T236-V240 VanDerWaalsContact O-N 3.12Å; T236-Y317 WeakPolarHBondContact CA-OH 3.3Å; T236-Y317 PolarHBondContact N-OH 3.25Å; T236-Y317 PolarHBondContact OG1-OH 3.08Å; T236-Y317 VanDerWaalsContact OG1-OH 3.13Å |
| 237 | I | 96.7 | Very high | 94.6 | Very high | 63 Ų | 63 | 46.2 Ų | 46.2 | 32% | 0.323 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.3 | -45.5 | 174.4 | -67.7 | 166.3 | 0 | 0 | 0 | 110.4 | L233 V234 L239 V240 R241 W417 | L233-I237 HydrophobicContact CG-CD1 4.22Å; L233-I237 WeakPolarHBondContact O-CG1 3.41Å; L233-I237 PolarHBondContact O-N 2.79Å; V234-I237 WeakPolarHBondContact O-CB 3.36Å; V234-I237 PolarHBondContact O-N 3.47Å; V234-I237 VanDerWaalsContact O-N 3.11Å; I237-L239 VanDerWaalsContact C-N 3.33Å; I237-L239 PolarHBondContact O-N 2.82Å; I237-V240 PolarHBondContact O-N 3.42Å; I237-R241 WeakPolarHBondContact O-CB 3.38Å; I237-R241 PolarHBondContact O-N 3.42Å; I237-W417 HydrophobicContact CG2-CZ3 3.9Å |
| 238 | F | 95.3 | Very high | 94.4 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 1% | 0.013 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66 | -32.3 | 176.7 | -87 | -74.7 | 0 | 0 | 0 | 113.1 | V234 L235 G242 V321 I325 W417 L420 F421 | V234-F238 HydrophobicContact CG1-CD2 3.54Å; V234-F238 HydrophobicContact CG1-CE2 3.55Å; V234-F238 WeakPolarHBondContact O-CD2 3.43Å; V234-F238 PolarHBondContact O-N 3.07Å; L235-F238 PolarHBondContact O-N 3.28Å; F238-G242 WeakPolarHBondContact O-CA 3.21Å; F238-G242 PolarHBondContact O-N 3.21Å; F238-V321 HydrophobicContact CB-CG1 3.71Å; F238-I325 HydrophobicContact CD1-CD1 3.93Å; F238-W417 AromaticContact CE1-CE3 4Å; F238-W417 HydrophobicContact CE1-CE3 4Å; F238-W417 HydrophobicContact CZ-CB 4.5Å; F238-W417 HydrophobicContact CZ-CE3 4.19Å; F238-L420 HydrophobicContact CE2-CB 4.18Å; F238-F421 HydrophobicContact CE2-CB 4.07Å; F238-F421 HydrophobicContact CE2-CD2 4.46Å; F238-F421 HydrophobicContact CZ-CB 3.76Å; F238-F421 HydrophobicContact CZ-CD2 4.39Å |
| 239 | L | 95.5 | Very high | 94.5 | Very high | 33 Ų | 33 | 49.6 Ų | 49.6 | 17% | 0.173 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.5 | -52.2 | 174.2 | -176.9 | 59.4 | 0 | 0 | 0 | 111 | L235 T236 I237 R241 G242 L243 Y317 T320 V321 | L235-L239 WeakPolarHBondContact O-CB 3.4Å; L235-L239 PolarHBondContact O-N 3.44Å; T236-L239 PolarHBondContact O-N 3.49Å; I237-L239 VanDerWaalsContact C-N 3.33Å; I237-L239 PolarHBondContact O-N 2.82Å; L239-R241 VanDerWaalsContact C-N 3.27Å; L239-R241 PolarHBondContact O-N 3.45Å; L239-G242 PolarHBondContact O-N 2.63Å; L239-L243 HydrophobicContact CD1-CD1 3.92Å; L239-L243 HydrophobicContact CD1-CG 4.06Å; L239-L243 HydrophobicContact CG-CD1 4.03Å; L239-L243 HydrophobicContact CG-CG 4.49Å; L239-L243 WeakPolarHBondContact O-CB 3.22Å; L239-L243 VanDerWaalsContact O-CG 3.3Å; L239-L243 WeakPolarHBondContact O-CG 3.45Å; L239-L243 PolarHBondContact O-N 3.33Å; L239-Y317 HydrophobicContact CD2-CD2 4.5Å; L239-Y317 HydrophobicContact CD2-CE2 3.52Å; L239-T320 HydrophobicContact CD1-CG2 4.4Å; L239-V321 HydrophobicContact CB-CG2 3.8Å; L239-V321 HydrophobicContact CD1-CG2 3.98Å; L239-V321 HydrophobicContact CG-CG2 4.38Å |
| 240 | V | 96 | Very high | 94.4 | Very high | 95 Ų | 95 | 49.5 Ų | 49.5 | 58% | 0.576 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -59.6 | -44.6 | 179.6 | 175.1 | 0 | 0 | 0 | 0 | 109.6 | T236 I237 T244 | T236-V240 WeakPolarHBondContact O-CG2 3.46Å; T236-V240 PolarHBondContact O-N 3.33Å; T236-V240 VanDerWaalsContact O-N 3.12Å; I237-V240 PolarHBondContact O-N 3.42Å; V240-T244 WeakPolarHBondContact O-CG2 3.25Å; V240-T244 PolarHBondContact O-N 2.85Å |
| 241 | R | 94.8 | Very high | 94.2 | Very high | 58 Ų | 58 | 47.2 Ų | 47.2 | 22% | 0.219 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.5 | -50.6 | 176.9 | -179.1 | 58.2 | -177.1 | 153.7 | 0.6 | 111.8 | I237 L239 L243 T244 L245 M411 W417 | I237-R241 WeakPolarHBondContact O-CB 3.38Å; I237-R241 PolarHBondContact O-N 3.42Å; L239-R241 VanDerWaalsContact C-N 3.27Å; L239-R241 PolarHBondContact O-N 3.45Å; R241-L243 VanDerWaalsContact C-N 3.33Å; R241-L243 PolarHBondContact O-N 2.84Å; R241-T244 PolarHBondContact NH1-OG1 3.23Å; R241-T244 PolarHBondContact O-N 3.38Å; R241-T244 PolarHBondContact O-OG1 3.05Å; R241-L245 PolarHBondContact O-N 3.45Å; R241-M411 HydrophobicContact CG-SD 4.31Å; R241-W417 HydrophobicContact CB-CH2 3.72Å; R241-W417 HydrophobicContact CB-CZ3 3.78Å; R241-W417 HydrophobicContact CG-CE3 4.32Å; R241-W417 HydrophobicContact CG-CH2 3.52Å; R241-W417 HydrophobicContact CG-CZ2 3.88Å; R241-W417 HydrophobicContact CG-CZ3 3.74Å |
| 242 | G | 93.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -55.7 | -45.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F238 L239 T244 L245 S248 | F238-G242 WeakPolarHBondContact O-CA 3.21Å; F238-G242 PolarHBondContact O-N 3.21Å; L239-G242 PolarHBondContact O-N 2.63Å; G242-T244 PolarHBondContact O-N 2.96Å; G242-L245 WeakPolarHBondContact O-CB 3.14Å; G242-L245 PolarHBondContact O-N 3.3Å; G242-L245 VanDerWaalsContact O-N 3.09Å; G242-S248 WeakPolarHBondContact O-CB 3.36Å; G242-S248 PolarHBondContact O-OG 2.9Å |
| 243 | L | 95 | Very high | 94 | Very high | 91 Ų | 91 | 51.2 Ų | 51.2 | 48% | 0.476 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.9 | -21.1 | 177.7 | -66.8 | 175.6 | 0 | 0 | 0 | 114 | L239 R241 S248 I252 | L239-L243 HydrophobicContact CD1-CD1 3.92Å; L239-L243 HydrophobicContact CD1-CG 4.06Å; L239-L243 HydrophobicContact CG-CD1 4.03Å; L239-L243 HydrophobicContact CG-CG 4.49Å; L239-L243 WeakPolarHBondContact O-CB 3.22Å; L239-L243 VanDerWaalsContact O-CG 3.3Å; L239-L243 WeakPolarHBondContact O-CG 3.45Å; L239-L243 PolarHBondContact O-N 3.33Å; R241-L243 VanDerWaalsContact C-N 3.33Å; R241-L243 PolarHBondContact O-N 2.84Å; L243-S248 PolarHBondContact O-OG 3.25Å; L243-I252 HydrophobicContact CD2-CD1 3.55Å |
| 244 | T | 94.4 | Very high | 93.7 | Very high | 93 Ų | 93 | 47.8 Ų | 47.8 | 57% | 0.571 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -84.2 | -11.4 | 174.6 | 63.9 | 0 | 0 | 0 | 0 | 113.5 | V240 R241 G242 | V240-T244 WeakPolarHBondContact O-CG2 3.25Å; V240-T244 PolarHBondContact O-N 2.85Å; R241-T244 PolarHBondContact NH1-OG1 3.23Å; R241-T244 PolarHBondContact O-N 3.38Å; R241-T244 PolarHBondContact O-OG1 3.05Å; G242-T244 PolarHBondContact O-N 2.96Å |
| 245 | L | 94.1 | Very high | 93.5 | Very high | 16 Ų | 16 | 47.5 Ų | 47.5 | 8% | 0.084 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -80.1 | 146.9 | 179.7 | -64.4 | 173.2 | 0 | 0 | 0 | 111.3 | R241 G242 G247 S248 F328 M411 | R241-L245 PolarHBondContact O-N 3.45Å; G242-L245 WeakPolarHBondContact O-CB 3.14Å; G242-L245 PolarHBondContact O-N 3.3Å; G242-L245 VanDerWaalsContact O-N 3.09Å; L245-G247 PolarHBondContact O-N 3.24Å; L245-S248 WeakPolarHBondContact O-CB 3.27Å; L245-S248 PolarHBondContact O-N 3.28Å; L245-S248 PolarHBondContact O-OG 2.95Å; L245-F328 HydrophobicContact CB-CB 3.95Å; L245-F328 HydrophobicContact CB-CD2 3.65Å; L245-F328 HydrophobicContact CB-CE2 4.32Å; L245-F328 HydrophobicContact CB-CG 3.87Å; L245-F328 HydrophobicContact CD1-CB 4.13Å; L245-F328 HydrophobicContact CD1-CD1 3.91Å; L245-F328 HydrophobicContact CD1-CD2 4.27Å; L245-F328 HydrophobicContact CD1-CE1 4.38Å; L245-F328 HydrophobicContact CD1-CG 3.83Å; L245-F328 HydrophobicContact CD2-CD2 4.29Å; L245-F328 HydrophobicContact CD2-CE2 4.14Å; L245-F328 HydrophobicContact CD2-CZ 4.4Å; L245-F328 HydrophobicContact CG-CD2 4.28Å; L245-F328 HydrophobicContact CG-CG 4.32Å; L245-M411 HydrophobicContact CD1-CE 3.64Å; L245-M411 HydrophobicContact CD1-SD 4.14Å |
| 246 | K | 93.6 | Very high | 93.3 | Very high | 118 Ų | 118 | 52 Ų | 52 | 51% | 0.513 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 131.9 | 177.4 | -174 | -172.2 | 176.6 | -167.5 | 0 | 109.8 | S248 F328 T331 D335 | K246-S248 VanDerWaalsContact C-N 3.27Å; K246-S248 PolarHBondContact O-N 2.86Å; K246-F328 WeakPolarHBondContact O-CA 3.34Å; K246-F328 WeakPolarHBondContact O-CD2 3.41Å; K246-T331 HydrophobicContact CD-CG2 4.29Å; K246-T331 HydrophobicContact CG-CG2 4.25Å; K246-D335 IonicContact NZ-OD1 3.2Å; K246-D335 IonicContact NZ-OD2 3.05Å; K246-D335 PolarHBondContact NZ-OD2 3.29Å |
| 247 | G | 90.6 | Very high | 93.1 | Very high | 17 Ų | 17 | 53 Ų | 53 | 18% | 0.175 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | 3.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | L245 T249 E250 G327 T331 | L245-G247 PolarHBondContact O-N 3.24Å; G247-T249 PolarHBondContact O-N 3.47Å; G247-E250 PolarHBondContact O-N 3.43Å; G247-E250 VanDerWaalsContact O-N 3.09Å; G247-G327 CarbonylContact O-C 3.59Å; G247-T331 WeakPolarHBondContact CA-OG1 3.44Å |
| 248 | S | 91.4 | Very high | 92.8 | Very high | 5 Ų | 5 | 53.3 Ų | 53.3 | 4% | 0.035 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.8 | -31.5 | 177.1 | 57.8 | 0 | 0 | 0 | 0 | 113.9 | G242 L243 L245 K246 E250 I252 S324 | G242-S248 WeakPolarHBondContact O-CB 3.36Å; G242-S248 PolarHBondContact O-OG 2.9Å; L243-S248 PolarHBondContact O-OG 3.25Å; L245-S248 WeakPolarHBondContact O-CB 3.27Å; L245-S248 PolarHBondContact O-N 3.28Å; L245-S248 PolarHBondContact O-OG 2.95Å; K246-S248 VanDerWaalsContact C-N 3.27Å; K246-S248 PolarHBondContact O-N 2.86Å; S248-E250 VanDerWaalsContact C-N 3.31Å; S248-E250 PolarHBondContact O-N 2.86Å; S248-I252 PolarHBondContact O-N 3.14Å; S248-S324 WeakPolarHBondContact CA-O 3.35Å; S248-S324 WeakPolarHBondContact CB-O 3.41Å |
| 249 | T | 92.6 | Very high | 92.6 | Very high | 78 Ų | 78 | 56.8 Ų | 56.8 | 48% | 0.479 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.9 | -29.1 | 177.7 | 52.7 | 0 | 0 | 0 | 0 | 113.3 | G247 I252 K253 | G247-T249 PolarHBondContact O-N 3.47Å; T249-I252 PolarHBondContact O-N 3.39Å; T249-K253 WeakPolarHBondContact O-CB 3.48Å; T249-K253 VanDerWaalsContact O-CG 3.25Å; T249-K253 WeakPolarHBondContact O-CG 3.35Å; T249-K253 PolarHBondContact O-N 3.33Å |
| 250 | E | 91.5 | Very high | 92.3 | Very high | 69 Ų | 69 | 59.6 Ų | 59.6 | 32% | 0.322 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -70.2 | -40.6 | -178.4 | -61.2 | -48.4 | 120.8 | 0 | 0 | 111.4 | G247 S248 I252 K253 Y254 | G247-E250 PolarHBondContact O-N 3.43Å; G247-E250 VanDerWaalsContact O-N 3.09Å; S248-E250 VanDerWaalsContact C-N 3.31Å; S248-E250 PolarHBondContact O-N 2.86Å; E250-I252 PolarHBondContact O-N 3.07Å; E250-K253 PolarHBondContact O-N 2.75Å; E250-K253 IonicContact OE1-NZ 3.8Å; E250-K253 PolarHBondContact OE1-NZ 2.86Å; E250-K253 IonicContact OE2-NZ 3.44Å; E250-Y254 WeakPolarHBondContact O-CB 3.2Å; E250-Y254 PolarHBondContact O-N 3.12Å |
| 251 | G | 91.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y254 L255 Y323 | G251-Y254 WeakPolarHBondContact O-CB 3.43Å; G251-Y254 PolarHBondContact O-N 2.98Å; G251-L255 PolarHBondContact O-N 3.25Å; G251-Y323 WeakPolarHBondContact CA-O 3.45Å; G251-Y323 VanDerWaalsContact O-CD1 3.3Å; G251-Y323 WeakPolarHBondContact O-CD1 3.47Å |
| 252 | I | 93.1 | Very high | 91.9 | Very high | 34 Ų | 34 | 59.5 Ų | 59.5 | 17% | 0.174 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.4 | -41.1 | 175.9 | -64.4 | 173.1 | 0 | 0 | 0 | 111.2 | L243 S248 T249 E250 Y254 L255 F256 T320 | L243-I252 HydrophobicContact CD2-CD1 3.55Å; S248-I252 PolarHBondContact O-N 3.14Å; T249-I252 PolarHBondContact O-N 3.39Å; E250-I252 PolarHBondContact O-N 3.07Å; I252-Y254 VanDerWaalsContact C-N 3.31Å; I252-Y254 PolarHBondContact O-N 2.96Å; I252-L255 PolarHBondContact O-N 3.06Å; I252-F256 HydrophobicContact CG2-CD2 3.78Å; I252-F256 HydrophobicContact CG2-CE2 3.91Å; I252-F256 WeakPolarHBondContact O-CD2 3.25Å; I252-F256 PolarHBondContact O-N 3.02Å; I252-F256 VanDerWaalsContact O-N 3.15Å; I252-T320 HydrophobicContact CD1-CG2 4.27Å; I252-T320 HydrophobicContact CG1-CG2 4.45Å |
| 253 | K | 92.2 | Very high | 91.7 | Very high | 114 Ų | 114 | 61.5 Ų | 61.5 | 50% | 0.496 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 174.2 | -75.3 | 170.6 | -173.7 | 169.9 | 0 | 111.1 | T249 E250 L255 F256 T257 | T249-K253 WeakPolarHBondContact O-CB 3.48Å; T249-K253 VanDerWaalsContact O-CG 3.25Å; T249-K253 WeakPolarHBondContact O-CG 3.35Å; T249-K253 PolarHBondContact O-N 3.33Å; E250-K253 PolarHBondContact O-N 2.75Å; E250-K253 IonicContact OE1-NZ 3.8Å; E250-K253 PolarHBondContact OE1-NZ 2.86Å; E250-K253 IonicContact OE2-NZ 3.44Å; K253-L255 PolarHBondContact O-N 2.82Å; K253-F256 PolarHBondContact O-N 3.37Å; K253-T257 WeakPolarHBondContact O-CB 3.47Å; K253-T257 PolarHBondContact O-N 3.24Å; K253-T257 PolarHBondContact O-OG1 2.59Å |
| 254 | Y | 89.7 | Confident | 91.5 | Very high | 37 Ų | 37 | 64.5 Ų | 64.5 | 15% | 0.145 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.1 | -46.3 | 176.2 | -177.9 | -79.7 | 0 | 0 | 0 | 111.3 | Q64 E250 G251 I252 F256 T257 Y323 Q387 L390 | Q64-Y254 HydrophobicContact CG-CE1 4.07Å; E250-Y254 WeakPolarHBondContact O-CB 3.2Å; E250-Y254 PolarHBondContact O-N 3.12Å; G251-Y254 WeakPolarHBondContact O-CB 3.43Å; G251-Y254 PolarHBondContact O-N 2.98Å; I252-Y254 VanDerWaalsContact C-N 3.31Å; I252-Y254 PolarHBondContact O-N 2.96Å; Y254-F256 VanDerWaalsContact C-N 3.3Å; Y254-F256 PolarHBondContact O-N 3.01Å; Y254-T257 PolarHBondContact O-N 3.26Å; Y254-Y323 HydrophobicContact CD1-CD1 4.31Å; Y254-Y323 AromaticContact CD1-CE1 3.62Å; Y254-Y323 HydrophobicContact CD1-CE1 3.62Å; Y254-Y323 HydrophobicContact CE1-CE1 4.06Å; Y254-Q387 VanDerWaalsContact CE2-NE2 3.25Å; Y254-L390 HydrophobicContact CD2-CB 3.89Å; Y254-L390 HydrophobicContact CD2-CD1 4.21Å; Y254-L390 HydrophobicContact CE2-CB 4.12Å; Y254-L390 HydrophobicContact CG-CB 4.4Å |
| 255 | L | 90.7 | Very high | 91.2 | Very high | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.9 | -39 | 177.7 | 174.3 | 60.9 | 0 | 0 | 0 | 113 | C63 G68 G69 G251 I252 K253 A319 Y323 | C63-L255 HydrophobicContact CB-CD1 4.02Å; G68-L255 CarbonylContact C-O 3.46Å; G69-L255 WeakPolarHBondContact CA-O 3.21Å; G69-L255 PolarHBondContact N-O 3.21Å; G251-L255 PolarHBondContact O-N 3.25Å; I252-L255 PolarHBondContact O-N 3.06Å; K253-L255 PolarHBondContact O-N 2.82Å; L255-A319 HydrophobicContact CD1-CB 4.43Å; L255-A319 HydrophobicContact CD2-CB 3.97Å; L255-Y323 HydrophobicContact CB-CD1 3.86Å; L255-Y323 HydrophobicContact CB-CD2 4.1Å; L255-Y323 HydrophobicContact CB-CE1 4.2Å; L255-Y323 HydrophobicContact CB-CE2 4.4Å; L255-Y323 HydrophobicContact CB-CG 3.77Å; L255-Y323 HydrophobicContact CD1-CD2 3.89Å; L255-Y323 HydrophobicContact CD1-CE2 3.65Å; L255-Y323 HydrophobicContact CD1-CG 4.44Å; L255-Y323 HydrophobicContact CD2-CD2 3.9Å; L255-Y323 HydrophobicContact CD2-CG 4.13Å; L255-Y323 HydrophobicContact CG-CD2 4.17Å; L255-Y323 HydrophobicContact CG-CE2 4.39Å; L255-Y323 HydrophobicContact CG-CG 4.33Å |
| 256 | F | 91.9 | Very high | 90.8 | Very high | 98 Ų | 98 | 65.4 Ų | 65.4 | 43% | 0.43 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -98.9 | 6 | -175.7 | -68.8 | -64.6 | 0 | 0 | 0 | 114.6 | M72 I252 K253 Y254 P258 V316 | M72-F256 HydrophobicContact CE-CE1 4.11Å; M72-F256 HydrophobicContact SD-CD1 4.16Å; M72-F256 HydrophobicContact SD-CE1 3.91Å; I252-F256 HydrophobicContact CG2-CD2 3.78Å; I252-F256 HydrophobicContact CG2-CE2 3.91Å; I252-F256 WeakPolarHBondContact O-CD2 3.25Å; I252-F256 PolarHBondContact O-N 3.02Å; I252-F256 VanDerWaalsContact O-N 3.15Å; K253-F256 PolarHBondContact O-N 3.37Å; Y254-F256 VanDerWaalsContact C-N 3.3Å; Y254-F256 PolarHBondContact O-N 3.01Å; F256-P258 VanDerWaalsContact O-CD 3.3Å; F256-P258 WeakPolarHBondContact O-CD 3.5Å; F256-V316 HydrophobicContact CZ-CG1 4.36Å |
| 257 | T | 90.6 | Very high | 90.4 | Very high | 90 Ų | 90 | 61.4 Ų | 61.4 | 55% | 0.552 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -92.6 | 109 | 173 | -59.5 | 0 | 0 | 0 | 0 | 108.3 | K253 Y254 | K253-T257 WeakPolarHBondContact O-CB 3.47Å; K253-T257 PolarHBondContact O-N 3.24Å; K253-T257 PolarHBondContact O-OG1 2.59Å; Y254-T257 PolarHBondContact O-N 3.26Å |
| 258 | P | 91.3 | Very high | 90.3 | Very high | 68 Ų | 68 | 60.6 Ų | 60.6 | 44% | 0.442 | 32% | 0.324 | S | S | . | . | B | Isolated β-bridge | trans | -83 | 128.8 | -175.7 | 32.1 | -33 | 0 | 0 | 0 | 111.4 | A70 F256 | A70-P258 HydrophobicContact CB-CB 4.29Å; F256-P258 VanDerWaalsContact O-CD 3.3Å; F256-P258 WeakPolarHBondContact O-CD 3.5Å |
| 259 | D | 89.8 | Confident | 90.2 | Very high | 77 Ų | 77 | 64.5 Ų | 64.5 | 41% | 0.412 | 34% | 0.338 | S | S | . | . | trans | -87.4 | 101.8 | 162.9 | -169.9 | -10.5 | 0 | 0 | 0 | 110.1 | G67 A70 D261 E262 | G67-D259 PolarHBondContact O-N 3.42Å; G67-D259 VanDerWaalsContact O-N 3.08Å; A70-D259 WeakPolarHBondContact CB-O 3.46Å; D259-D261 PolarHBondContact O-N 3.36Å; D259-D261 PolarHBondContact OD1-N 2.92Å; D259-E262 PolarHBondContact O-N 3.44Å | ||
| 260 | V | 90.4 | Very high | 89.9 | Confident | 92 Ų | 92 | 61.4 Ų | 61.4 | 56% | 0.558 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -70.2 | -21.4 | -173.9 | -65.3 | 0 | 0 | 0 | 0 | 113.3 | E262 L263 | V260-E262 PolarHBondContact O-N 3.35Å; V260-L263 WeakPolarHBondContact O-CB 3.28Å; V260-L263 PolarHBondContact O-N 2.87Å |
| 261 | D | 91.7 | Very high | 89.7 | Confident | 113 Ų | 113 | 60.3 Ų | 60.3 | 60% | 0.604 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -68.6 | -30.8 | 180 | -67.7 | -29.4 | 0 | 0 | 0 | 110.5 | D259 L263 M264 | D259-D261 PolarHBondContact O-N 3.36Å; D259-D261 PolarHBondContact OD1-N 2.92Å; D261-L263 PolarHBondContact O-N 3.43Å; D261-M264 WeakPolarHBondContact O-CB 3.32Å; D261-M264 PolarHBondContact O-N 3.02Å; D261-M264 VanDerWaalsContact O-N 3.09Å |
| 262 | E | 89.8 | Confident | 89.7 | Confident | 37 Ų | 37 | 60.3 Ų | 60.3 | 17% | 0.173 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -67.3 | -19.9 | 178.1 | -162 | 54.3 | -133.9 | 0 | 0 | 113.3 | H66 D259 V260 M264 N265 T268 | H66-E262 VanDerWaalsContact C-CG 3.44Å; H66-E262 HydrophobicContact CB-CG 4.26Å; H66-E262 IonicContact ND1-OE1 2.73Å; D259-E262 PolarHBondContact O-N 3.44Å; V260-E262 PolarHBondContact O-N 3.35Å; E262-M264 PolarHBondContact O-N 3.29Å; E262-N265 WeakPolarHBondContact O-CB 3.04Å; E262-N265 PolarHBondContact O-N 2.91Å; E262-N265 VanDerWaalsContact O-N 3.12Å; E262-N265 WeakPolarHBondContact OE1-CB 3.15Å; E262-N265 PolarHBondContact OE1-ND2 3.43Å; E262-N265 PolarHBondContact OE2-ND2 3.28Å; E262-T268 PolarHBondContact O-OG1 3.39Å; E262-T268 PolarHBondContact OE1-OG1 3.06Å |
| 263 | L | 90.1 | Very high | 89.5 | Confident | 43 Ų | 43 | 58.7 Ų | 58.7 | 23% | 0.225 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -69.7 | -20.7 | 174.8 | -63.9 | 176.6 | 0 | 0 | 0 | 112.8 | A70 I73 P74 V260 D261 N265 W269 | A70-L263 HydrophobicContact CB-CD2 4.19Å; A70-L263 HydrophobicContact CB-CG 4.29Å; A70-L263 WeakPolarHBondContact O-CD2 3.49Å; I73-L263 HydrophobicContact CD1-CD1 4.12Å; P74-L263 HydrophobicContact CG-CD2 4.34Å; V260-L263 WeakPolarHBondContact O-CB 3.28Å; V260-L263 PolarHBondContact O-N 2.87Å; D261-L263 PolarHBondContact O-N 3.43Å; L263-N265 VanDerWaalsContact C-N 3.27Å; L263-W269 PolarHBondContact O-NE1 3.36Å |
| 264 | M | 90 | Very high | 89.3 | Confident | 154 Ų | 154 | 53.5 Ų | 53.5 | 76% | 0.759 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -76.5 | -19.4 | 174 | -61.8 | -175.9 | 57.8 | 0 | 0 | 111.8 | D261 E262 P266 | D261-M264 WeakPolarHBondContact O-CB 3.32Å; D261-M264 PolarHBondContact O-N 3.02Å; D261-M264 VanDerWaalsContact O-N 3.09Å; E262-M264 PolarHBondContact O-N 3.29Å; M264-P266 VanDerWaalsContact O-CD 3.24Å; M264-P266 WeakPolarHBondContact O-CD 3.13Å |
| 265 | N | 88.2 | Confident | 89.3 | Confident | 65 Ų | 65 | 51.8 Ų | 51.8 | 35% | 0.348 | 28% | 0.279 | S | S | . | . | trans | -75.7 | 119.9 | 178.7 | -71.9 | -29.2 | 0 | 0 | 0 | 110.3 | E262 L263 S267 T268 | E262-N265 WeakPolarHBondContact O-CB 3.04Å; E262-N265 PolarHBondContact O-N 2.91Å; E262-N265 VanDerWaalsContact O-N 3.12Å; E262-N265 WeakPolarHBondContact OE1-CB 3.15Å; E262-N265 PolarHBondContact OE1-ND2 3.43Å; E262-N265 PolarHBondContact OE2-ND2 3.28Å; L263-N265 VanDerWaalsContact C-N 3.27Å; N265-S267 VanDerWaalsContact C-N 3.26Å; N265-S267 PolarHBondContact O-N 3.46Å; N265-T268 VanDerWaalsContact O-CB 3.23Å; N265-T268 WeakPolarHBondContact O-CB 3.37Å; N265-T268 PolarHBondContact O-N 3.05Å; N265-T268 PolarHBondContact O-OG1 2.69Å | ||
| 266 | P | 85.5 | Confident | 89.4 | Confident | 63 Ų | 63 | 51.8 Ų | 51.8 | 41% | 0.409 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.6 | -23.4 | -179 | -29.5 | 41 | 0 | 0 | 0 | 114.7 | M264 T268 W269 L270 F549 | M264-P266 VanDerWaalsContact O-CD 3.24Å; M264-P266 WeakPolarHBondContact O-CD 3.13Å; P266-T268 VanDerWaalsContact C-N 3.27Å; P266-T268 PolarHBondContact O-N 3.48Å; P266-W269 PolarHBondContact O-N 2.84Å; P266-L270 PolarHBondContact O-N 3.39Å; P266-F549 VanDerWaalsContact C-CE1 3.49Å; P266-F549 HydrophobicContact CB-CD1 4.02Å; P266-F549 HydrophobicContact CB-CD2 4.13Å; P266-F549 HydrophobicContact CB-CE1 3.25Å; P266-F549 HydrophobicContact CB-CE2 3.39Å; P266-F549 HydrophobicContact CB-CG 4.45Å; P266-F549 HydrophobicContact CB-CZ 2.96Å; P266-F549 HydrophobicContact CG-CE2 4.01Å; P266-F549 HydrophobicContact CG-CZ 3.87Å; P266-F549 WeakPolarHBondContact O-CE1 3.26Å |
| 267 | S | 85.3 | Confident | 89.3 | Confident | 35 Ų | 35 | 47.2 Ų | 47.2 | 25% | 0.245 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60 | -37.8 | 174.3 | 40.3 | 0 | 0 | 0 | 0 | 112.1 | N265 W269 L270 D271 | N265-S267 VanDerWaalsContact C-N 3.26Å; N265-S267 PolarHBondContact O-N 3.46Å; S267-W269 VanDerWaalsContact C-N 3.28Å; S267-W269 PolarHBondContact O-N 3.42Å; S267-L270 PolarHBondContact O-N 3.33Å; S267-D271 PolarHBondContact O-N 2.84Å |
| 268 | T | 89.4 | Confident | 89.1 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -53.1 | -46.1 | 175.6 | -52.7 | 0 | 0 | 0 | 0 | 111.5 | H66 F71 P74 E262 N265 P266 A272 | H66-T268 HydrophobicContact CB-CG2 4.11Å; H66-T268 PolarHBondContact ND1-OG1 2.9Å; F71-T268 HydrophobicContact CD2-CG2 4.24Å; P74-T268 HydrophobicContact CG-CG2 4Å; E262-T268 PolarHBondContact O-OG1 3.39Å; E262-T268 PolarHBondContact OE1-OG1 3.06Å; N265-T268 VanDerWaalsContact O-CB 3.23Å; N265-T268 WeakPolarHBondContact O-CB 3.37Å; N265-T268 PolarHBondContact O-N 3.05Å; N265-T268 PolarHBondContact O-OG1 2.69Å; P266-T268 VanDerWaalsContact C-N 3.27Å; P266-T268 PolarHBondContact O-N 3.48Å; T268-A272 WeakPolarHBondContact O-CB 3.3Å; T268-A272 PolarHBondContact O-N 3.38Å |
| 269 | W | 89.3 | Confident | 89.1 | Confident | 86 Ų | 86 | 41.3 Ų | 41.3 | 33% | 0.326 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -73.3 | -35.7 | -179 | -70 | 85.5 | 0 | 0 | 0 | 112.8 | P74 I77 L78 L263 P266 S267 G273 | P74-W269 HydrophobicContact CB-CD2 3.79Å; P74-W269 HydrophobicContact CB-CE3 3.61Å; P74-W269 HydrophobicContact CB-CG 4.46Å; P74-W269 HydrophobicContact CB-CH2 4.05Å; P74-W269 HydrophobicContact CB-CZ2 4.2Å; P74-W269 HydrophobicContact CB-CZ3 3.75Å; I77-W269 HydrophobicContact CD1-CH2 4.27Å; L78-W269 HydrophobicContact CD1-CE3 4.37Å; L263-W269 PolarHBondContact O-NE1 3.36Å; P266-W269 PolarHBondContact O-N 2.84Å; S267-W269 VanDerWaalsContact C-N 3.28Å; S267-W269 PolarHBondContact O-N 3.42Å; W269-G273 PolarHBondContact O-N 2.94Å |
| 270 | L | 86.4 | Confident | 89.2 | Confident | 13 Ų | 13 | 37.6 Ų | 37.6 | 7% | 0.068 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.2 | -49 | 176.3 | 178.1 | 161.5 | 0 | 0 | 0 | 111.1 | P266 S267 A272 G273 A274 F549 Y550 T553 | P266-L270 PolarHBondContact O-N 3.39Å; S267-L270 PolarHBondContact O-N 3.33Å; L270-A272 VanDerWaalsContact C-N 3.35Å; L270-G273 PolarHBondContact O-N 3.45Å; L270-A274 PolarHBondContact O-N 3.32Å; L270-F549 HydrophobicContact CB-CD1 4.1Å; L270-F549 HydrophobicContact CB-CE1 4.48Å; L270-F549 HydrophobicContact CD1-CD1 3.79Å; L270-F549 HydrophobicContact CD1-CE1 4.16Å; L270-Y550 VanDerWaalsContact CD1-CA 3.43Å; L270-Y550 HydrophobicContact CD1-CD2 3.67Å; L270-Y550 HydrophobicContact CD1-CG 4.08Å; L270-Y550 HydrophobicContact CD2-CD2 3.72Å; L270-Y550 HydrophobicContact CD2-CE2 4.18Å; L270-Y550 HydrophobicContact CG-CD2 3.86Å; L270-T553 WeakPolarHBondContact CD1-OG1 3.37Å |
| 271 | D | 87.3 | Confident | 89.3 | Confident | 47 Ų | 47 | 33.5 Ų | 33.5 | 25% | 0.251 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -68.6 | -36.4 | -179.8 | -70.3 | -23.9 | 0 | 0 | 0 | 111.2 | L62 H66 F71 S267 Q275 | L62-D271 HydrophobicContact CD2-CB 4.18Å; H66-D271 IonicContact CD2-OD2 3.81Å; H66-D271 IonicContact CE1-OD2 3.94Å; H66-D271 PolarHBondContact CE1-OD2 3.08Å; H66-D271 VanDerWaalsContact CE1-OD2 3.32Å; H66-D271 IonicContact NE2-OD2 3.38Å; H66-D271 PolarHBondContact NE2-OD2 2.8Å; F71-D271 HydrophobicContact CE2-CB 4.41Å; S267-D271 PolarHBondContact O-N 2.84Å; D271-Q275 WeakPolarHBondContact O-CB 3.46Å; D271-Q275 PolarHBondContact O-N 2.91Å |
| 272 | A | 90.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.6 | -45 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112 | F71 P74 L78 T268 L270 Q275 V276 | F71-A272 HydrophobicContact CD2-CB 4.46Å; F71-A272 HydrophobicContact CE2-CB 3.74Å; F71-A272 HydrophobicContact CZ-CB 3.94Å; P74-A272 HydrophobicContact CB-CB 4Å; P74-A272 HydrophobicContact CG-CB 4.21Å; L78-A272 HydrophobicContact CD1-CB 4Å; T268-A272 WeakPolarHBondContact O-CB 3.3Å; T268-A272 PolarHBondContact O-N 3.38Å; L270-A272 VanDerWaalsContact C-N 3.35Å; A272-Q275 PolarHBondContact O-N 3.41Å; A272-V276 WeakPolarHBondContact O-CG2 3.46Å; A272-V276 PolarHBondContact O-N 2.9Å |
| 273 | G | 89.6 | Confident | 89.6 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.9 | -51.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | W269 L270 Q275 V276 F277 | W269-G273 PolarHBondContact O-N 2.94Å; L270-G273 PolarHBondContact O-N 3.45Å; G273-Q275 VanDerWaalsContact C-N 3.25Å; G273-Q275 PolarHBondContact O-N 3.49Å; G273-V276 WeakPolarHBondContact O-CB 3.05Å; G273-V276 PolarHBondContact O-N 3.44Å; G273-F277 WeakPolarHBondContact O-CD2 3.27Å; G273-F277 PolarHBondContact O-N 3.47Å |
| 274 | A | 86.7 | Confident | 89.7 | Confident | 5 Ų | 5 | 24.5 Ų | 24.5 | 4% | 0.041 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57.1 | -41.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L270 V276 F277 Y278 | L270-A274 PolarHBondContact O-N 3.32Å; A274-V276 VanDerWaalsContact C-N 3.31Å; A274-V276 PolarHBondContact O-N 2.93Å; A274-F277 PolarHBondContact O-N 3.39Å; A274-Y278 WeakPolarHBondContact O-CD2 3.48Å; A274-Y278 PolarHBondContact O-N 3.02Å |
| 275 | Q | 90.4 | Very high | 89.8 | Confident | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.8 | -34.5 | 176.4 | -176.7 | 61 | 21.8 | 0 | 0 | 112.5 | R58 F59 L62 F75 D271 A272 G273 S279 | R58-Q275 VanDerWaalsContact CD-OE1 3.26Å; F59-Q275 HydrophobicContact CD2-CG 4.2Å; L62-Q275 HydrophobicContact CD1-CB 3.96Å; L62-Q275 HydrophobicContact CD1-CG 4.06Å; F75-Q275 HydrophobicContact CD2-CG 4.28Å; F75-Q275 HydrophobicContact CE2-CG 4.05Å; D271-Q275 WeakPolarHBondContact O-CB 3.46Å; D271-Q275 PolarHBondContact O-N 2.91Å; A272-Q275 PolarHBondContact O-N 3.41Å; G273-Q275 VanDerWaalsContact C-N 3.25Å; G273-Q275 PolarHBondContact O-N 3.49Å; Q275-S279 WeakPolarHBondContact O-CB 3.2Å; Q275-S279 PolarHBondContact O-N 3.4Å |
| 276 | V | 92.3 | Very high | 90 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -63.3 | -45.9 | 173.6 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | F75 L78 L79 A272 G273 A274 Y278 S279 F280 | F75-V276 HydrophobicContact CD2-CG2 3.85Å; F75-V276 HydrophobicContact CE2-CG2 3.9Å; L78-V276 HydrophobicContact CB-CG2 4.05Å; L79-V276 HydrophobicContact CB-CG2 4.29Å; A272-V276 WeakPolarHBondContact O-CG2 3.46Å; A272-V276 PolarHBondContact O-N 2.9Å; G273-V276 WeakPolarHBondContact O-CB 3.05Å; G273-V276 PolarHBondContact O-N 3.44Å; A274-V276 VanDerWaalsContact C-N 3.31Å; A274-V276 PolarHBondContact O-N 2.93Å; V276-Y278 PolarHBondContact O-N 3.24Å; V276-S279 PolarHBondContact O-N 2.94Å; V276-F280 HydrophobicContact CG1-CD2 3.92Å; V276-F280 HydrophobicContact CG1-CE2 4.21Å; V276-F280 WeakPolarHBondContact O-CD2 3.45Å; V276-F280 PolarHBondContact O-N 2.9Å |
| 277 | F | 90.5 | Very high | 90.5 | Very high | 2 Ų | 2 | 11.1 Ų | 11.1 | 1% | 0.009 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -61.3 | -46.1 | 177 | -80.7 | -100.1 | 0 | 0 | 0 | 112.4 | E82 L86 G273 A274 S281 L282 L495 L496 M543 | E82-F277 VanDerWaalsContact CD-CE2 3.45Å; E82-F277 HydrophobicContact CG-CE2 4.04Å; E82-F277 HydrophobicContact CG-CZ 4.25Å; E82-F277 WeakPolarHBondContact OE1-CE2 3.26Å; E82-F277 WeakPolarHBondContact OE1-CZ 3.27Å; L86-F277 HydrophobicContact CD2-CD1 4.36Å; L86-F277 HydrophobicContact CD2-CE1 3.56Å; L86-F277 HydrophobicContact CD2-CZ 4.06Å; G273-F277 WeakPolarHBondContact O-CD2 3.27Å; G273-F277 PolarHBondContact O-N 3.47Å; A274-F277 PolarHBondContact O-N 3.39Å; F277-S281 WeakPolarHBondContact O-CA 3.39Å; F277-S281 PolarHBondContact O-N 3.5Å; F277-L282 HydrophobicContact CD1-CB 4.02Å; F277-L282 PolarHBondContact O-N 3.44Å; F277-L282 VanDerWaalsContact O-N 3.12Å; F277-L495 HydrophobicContact CB-CB 4.44Å; F277-L495 HydrophobicContact CD1-CB 4.31Å; F277-L496 HydrophobicContact CD2-CD2 3.66Å; F277-L496 HydrophobicContact CE2-CD2 3.44Å; F277-L496 VanDerWaalsContact CE2-CD2 3.44Å; F277-L496 HydrophobicContact CG-CD2 4.29Å; F277-L496 HydrophobicContact CZ-CD2 3.93Å; F277-M543 HydrophobicContact CZ-CE 4.24Å; F277-M543 HydrophobicContact CZ-CG 4.3Å; F277-M543 HydrophobicContact CZ-SD 4.35Å |
| 278 | Y | 86.9 | Confident | 91 | Very high | 31 Ų | 31 | 9.4 Ų | 9.4 | 12% | 0.122 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -66 | -41.1 | 177.6 | -87.5 | -73.1 | 0 | 0 | 0 | 112.5 | A274 V276 F280 S281 D487 G491 S492 L495 | A274-Y278 WeakPolarHBondContact O-CD2 3.48Å; A274-Y278 PolarHBondContact O-N 3.02Å; V276-Y278 PolarHBondContact O-N 3.24Å; Y278-F280 VanDerWaalsContact C-N 3.33Å; Y278-F280 PolarHBondContact O-N 2.8Å; Y278-S281 PolarHBondContact O-N 3.02Å; Y278-D487 PolarHBondContact OH-O 2.69Å; Y278-G491 WeakPolarHBondContact OH-CA 3.45Å; Y278-G491 PolarHBondContact OH-N 3.43Å; Y278-S492 PolarHBondContact OH-N 2.93Å; Y278-L495 HydrophobicContact CD1-CD1 4.29Å; Y278-L495 HydrophobicContact CE1-CD1 4.24Å |
| 279 | S | 90.4 | Very high | 91.2 | Very high | 3 Ų | 3 | 9.4 Ų | 9.4 | 2% | 0.021 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -72.2 | -25.3 | -177.8 | -178.7 | 0 | 0 | 0 | 0 | 113.3 | C50 N55 Q275 V276 N311 | C50-S279 CarbonylContact C-O 3.48Å; C50-S279 VanDerWaalsContact C-O 3.3Å; C50-S279 WeakPolarHBondContact CA-O 3.45Å; C50-S279 WeakPolarHBondContact CB-O 3.31Å; N55-S279 PolarHBondContact ND2-OG 2.97Å; Q275-S279 WeakPolarHBondContact O-CB 3.2Å; Q275-S279 PolarHBondContact O-N 3.4Å; V276-S279 PolarHBondContact O-N 2.94Å; S279-N311 PolarHBondContact O-ND2 3.35Å; S279-N311 PolarHBondContact O-OD1 3.19Å; S279-N311 PolarHBondContact OG-ND2 3.42Å; S279-N311 PolarHBondContact OG-OD1 2.9Å; S279-N311 VanDerWaalsContact OG-OD1 3.09Å |
| 280 | F | 91.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -95.5 | -8.3 | 173.1 | -79.7 | -77.8 | 0 | 0 | 0 | 113 | C50 L79 L87 V276 Y278 L282 L287 S308 N311 | C50-F280 PolarHBondContact SG-O 3.33Å; L79-F280 HydrophobicContact CD1-CE2 3.72Å; L79-F280 HydrophobicContact CD1-CZ 3.88Å; L79-F280 HydrophobicContact CD2-CZ 4.46Å; L79-F280 HydrophobicContact CG-CE2 3.67Å; L79-F280 HydrophobicContact CG-CZ 3.86Å; L87-F280 HydrophobicContact CD2-CD1 3.89Å; L87-F280 HydrophobicContact CD2-CE1 3.94Å; V276-F280 HydrophobicContact CG1-CD2 3.92Å; V276-F280 HydrophobicContact CG1-CE2 4.21Å; V276-F280 WeakPolarHBondContact O-CD2 3.45Å; V276-F280 PolarHBondContact O-N 2.9Å; Y278-F280 VanDerWaalsContact C-N 3.33Å; Y278-F280 PolarHBondContact O-N 2.8Å; F280-L282 HydrophobicContact CB-CD1 3.63Å; F280-L282 HydrophobicContact CB-CD2 4.09Å; F280-L282 HydrophobicContact CB-CG 3.47Å; F280-L282 VanDerWaalsContact CB-CG 3.47Å; F280-L282 HydrophobicContact CD2-CD1 4.45Å; F280-L282 HydrophobicContact CG-CD1 4.26Å; F280-L282 HydrophobicContact CG-CG 4.5Å; F280-L282 PolarHBondContact O-N 3.07Å; F280-L287 WeakPolarHBondContact O-CD1 3.44Å; F280-S308 WeakPolarHBondContact CE1-OG 3.42Å; F280-N311 HydrophobicContact CE1-CB 4.17Å; F280-N311 HydrophobicContact CZ-CB 4.41Å |
| 281 | S | 93.2 | Very high | 91.8 | Very high | 5 Ų | 5 | 4.8 Ų | 4.8 | 4% | 0.035 | 2% | 0.024 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 40.3 | -170.6 | -57.8 | 0 | 0 | 0 | 0 | 112.3 | F49 F277 Y278 F284 | F49-S281 VanDerWaalsContact CZ-CB 3.43Å; F49-S281 PolarHBondContact O-OG 3.25Å; F277-S281 WeakPolarHBondContact O-CA 3.39Å; F277-S281 PolarHBondContact O-N 3.5Å; Y278-S281 PolarHBondContact O-N 3.02Å; S281-F284 VanDerWaalsContact C-CD2 3.47Å; S281-F284 WeakPolarHBondContact O-CD2 3.48Å |
| 282 | L | 93.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 2.6 Ų | 2.6 | 0% | 0 | 1% | 0.013 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | 150.9 | 178.2 | -63.6 | 164.7 | 0 | 0 | 0 | 110.6 | L86 L87 F277 F280 F284 L495 | L86-L282 HydrophobicContact CB-CD1 4.2Å; L86-L282 HydrophobicContact CB-CD2 4.35Å; L86-L282 HydrophobicContact CD2-CB 3.98Å; L86-L282 HydrophobicContact CD2-CD1 4.04Å; L86-L282 HydrophobicContact CD2-CD2 4.5Å; L86-L282 HydrophobicContact CD2-CG 4.36Å; L86-L282 HydrophobicContact CG-CD1 4.4Å; L86-L282 HydrophobicContact CG-CD2 4.24Å; L87-L282 HydrophobicContact CB-CD2 3.96Å; L87-L282 HydrophobicContact CD1-CD2 4.07Å; F277-L282 HydrophobicContact CD1-CB 4.02Å; F277-L282 PolarHBondContact O-N 3.44Å; F277-L282 VanDerWaalsContact O-N 3.12Å; F280-L282 HydrophobicContact CB-CD1 3.63Å; F280-L282 HydrophobicContact CB-CD2 4.09Å; F280-L282 HydrophobicContact CB-CG 3.47Å; F280-L282 VanDerWaalsContact CB-CG 3.47Å; F280-L282 HydrophobicContact CD2-CD1 4.45Å; F280-L282 HydrophobicContact CG-CD1 4.26Å; F280-L282 HydrophobicContact CG-CG 4.5Å; F280-L282 PolarHBondContact O-N 3.07Å; L282-F284 VanDerWaalsContact O-CD2 3.29Å; L282-F284 WeakPolarHBondContact O-CD2 3.44Å; L282-F284 PolarHBondContact O-N 3.48Å; L282-F284 VanDerWaalsContact O-N 3.12Å; L282-L495 WeakPolarHBondContact O-CD2 3.4Å |
| 283 | A | 93.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 3.9 Ų | 3.9 | 0% | 0 | 2% | 0.018 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | 2.6 | 180 | 0 | 0 | 0 | 0 | 0 | 115.8 | E90 S119 L495 I498 | E90-A283 PolarHBondContact OE1-N 2.87Å; S119-A283 VanDerWaalsContact CB-O 3.28Å; S119-A283 WeakPolarHBondContact CB-O 3.41Å; S119-A283 PolarHBondContact OG-O 3.36Å; A283-L495 HydrophobicContact CB-CB 4.49Å; A283-L495 HydrophobicContact CB-CD2 4.04Å; A283-I498 HydrophobicContact CB-CB 3.86Å; A283-I498 HydrophobicContact CB-CG2 3.64Å |
| 284 | F | 92.9 | Very high | 92.3 | Very high | 5 Ų | 5 | 4.4 Ų | 4.4 | 2% | 0.022 | 2% | 0.02 | C | C | . | . | S | Bend | trans | -74.9 | -25.6 | 170.6 | -77.1 | -100 | 0 | 0 | 0 | 112.5 | F49 V122 S123 V126 S281 L282 G286 L495 | F49-F284 HydrophobicContact CZ-CB 4.06Å; F49-F284 HydrophobicContact CZ-CG 4.33Å; V122-F284 HydrophobicContact CG1-CE1 4.44Å; S123-F284 WeakPolarHBondContact OG-CD1 3.29Å; S123-F284 PolarHBondContact OG-O 2.75Å; V126-F284 HydrophobicContact CB-CE1 3.85Å; V126-F284 HydrophobicContact CB-CZ 4.47Å; V126-F284 HydrophobicContact CG1-CE1 3.84Å; V126-F284 HydrophobicContact CG1-CZ 4.2Å; V126-F284 HydrophobicContact CG2-CE1 3.87Å; V126-F284 HydrophobicContact CG2-CZ 4.17Å; S281-F284 VanDerWaalsContact C-CD2 3.47Å; S281-F284 WeakPolarHBondContact O-CD2 3.48Å; L282-F284 VanDerWaalsContact O-CD2 3.29Å; L282-F284 WeakPolarHBondContact O-CD2 3.44Å; L282-F284 PolarHBondContact O-N 3.48Å; L282-F284 VanDerWaalsContact O-N 3.12Å; F284-G286 PolarHBondContact O-N 2.99Å; F284-L495 HydrophobicContact CD2-CD1 4.19Å; F284-L495 HydrophobicContact CD2-CD2 3.66Å; F284-L495 HydrophobicContact CE2-CD1 3.32Å; F284-L495 HydrophobicContact CE2-CD2 3.59Å; F284-L495 HydrophobicContact CE2-CG 4.1Å; F284-L495 HydrophobicContact CG-CD2 4.25Å; F284-L495 HydrophobicContact CZ-CD1 3.73Å; F284-L495 HydrophobicContact CZ-CD2 4.1Å; F284-L495 HydrophobicContact CZ-CG 4.49Å |
| 285 | G | 92.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 4% | 0.037 | C | C | . | . | S | Bend | trans | 80 | -3.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | S289 | G285-S289 PolarHBondContact O-N 3.34Å; G285-S289 PolarHBondContact O-OG 2.72Å |
| 286 | G | 93.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -64.8 | -43.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F284 S289 F290 | F284-G286 PolarHBondContact O-N 2.99Å; G286-S289 WeakPolarHBondContact O-CB 3.45Å; G286-S289 PolarHBondContact O-N 3.14Å; G286-S289 VanDerWaalsContact O-N 3.12Å; G286-F290 WeakPolarHBondContact O-CG 3.35Å; G286-F290 PolarHBondContact O-N 2.97Å |
| 287 | L | 95.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -65.1 | -40.4 | 179.2 | -69 | 177.4 | 0 | 0 | 0 | 113.1 | C46 F49 L87 F91 F280 S289 F290 S291 | C46-L287 HydrophobicContact CB-CD2 4.41Å; F49-L287 HydrophobicContact CD1-CD2 3.62Å; F49-L287 HydrophobicContact CD1-CG 3.8Å; F49-L287 HydrophobicContact CE1-CD2 4.28Å; F49-L287 HydrophobicContact CE1-CG 3.94Å; L87-L287 HydrophobicContact CD1-CD1 3.46Å; L87-L287 VanDerWaalsContact CD1-CD1 3.46Å; F91-L287 HydrophobicContact CD1-CB 4.36Å; F91-L287 HydrophobicContact CE1-CB 3.89Å; F91-L287 HydrophobicContact CE1-CD1 4.34Å; F91-L287 HydrophobicContact CE1-CD2 3.84Å; F91-L287 HydrophobicContact CE1-CG 4.23Å; F91-L287 HydrophobicContact CZ-CD2 4.26Å; F280-L287 WeakPolarHBondContact O-CD1 3.44Å; L287-S289 VanDerWaalsContact C-N 3.25Å; L287-S289 PolarHBondContact O-N 3.41Å; L287-F290 PolarHBondContact O-N 3.22Å; L287-S291 WeakPolarHBondContact O-CB 3.42Å; L287-S291 PolarHBondContact O-N 2.86Å |
| 288 | I | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -55.8 | -45.1 | 171.3 | -60.9 | 176.8 | 0 | 0 | 0 | 110 | E90 V104 W105 S292 | E90-I288 HydrophobicContact CB-CG1 3.93Å; E90-I288 HydrophobicContact CG-CD1 4.23Å; E90-I288 HydrophobicContact CG-CG1 3.95Å; V104-I288 HydrophobicContact CB-CG2 4.44Å; V104-I288 HydrophobicContact CG2-CG2 3.79Å; W105-I288 HydrophobicContact CZ2-CD1 3.94Å; I288-S292 WeakPolarHBondContact O-CB 3.49Å; I288-S292 PolarHBondContact O-N 3.49Å; I288-S292 VanDerWaalsContact O-N 3.09Å |
| 289 | S | 93.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -67.4 | -46.5 | -179.2 | -54.3 | 0 | 0 | 0 | 0 | 111.3 | G285 G286 L287 S291 S292 Y293 | G285-S289 PolarHBondContact O-N 3.34Å; G285-S289 PolarHBondContact O-OG 2.72Å; G286-S289 WeakPolarHBondContact O-CB 3.45Å; G286-S289 PolarHBondContact O-N 3.14Å; G286-S289 VanDerWaalsContact O-N 3.12Å; L287-S289 VanDerWaalsContact C-N 3.25Å; L287-S289 PolarHBondContact O-N 3.41Å; S289-S291 PolarHBondContact O-N 2.83Å; S289-S292 WeakPolarHBondContact O-CB 3.33Å; S289-S292 PolarHBondContact O-N 2.63Å; S289-S292 PolarHBondContact O-OG 2.81Å; S289-Y293 WeakPolarHBondContact O-CD2 3.11Å; S289-Y293 VanDerWaalsContact O-CE2 3.29Å; S289-Y293 WeakPolarHBondContact O-CE2 3.42Å |
| 290 | F | 94.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 13.9 Ų | 13.9 | 0% | 0.004 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60.5 | -41.7 | 176.4 | -69.3 | -31.2 | 0 | 0 | 0 | 113.4 | W36 Y42 T45 F49 I217 G286 L287 S292 Y293 E438 | W36-F290 AromaticContact CH2-CD1 3.95Å; W36-F290 HydrophobicContact CH2-CD1 3.95Å; W36-F290 HydrophobicContact CH2-CE1 4.34Å; W36-F290 HydrophobicContact CZ2-CB 4Å; W36-F290 AromaticContact CZ2-CD1 3.8Å; W36-F290 HydrophobicContact CZ2-CD1 3.8Å; W36-F290 HydrophobicContact CZ2-CG 4.14Å; W36-F290 PolarHBondContact NE1-O 3.3Å; Y42-F290 HydrophobicContact CE2-CB 4.42Å; T45-F290 HydrophobicContact CG2-CD1 4.42Å; T45-F290 HydrophobicContact CG2-CD2 4.1Å; T45-F290 HydrophobicContact CG2-CE1 4.06Å; T45-F290 HydrophobicContact CG2-CE2 3.71Å; T45-F290 HydrophobicContact CG2-CG 4.44Å; T45-F290 HydrophobicContact CG2-CZ 3.68Å; F49-F290 HydrophobicContact CB-CE2 4.37Å; F49-F290 HydrophobicContact CD1-CE2 4.33Å; F49-F290 HydrophobicContact CG-CE2 4.4Å; I217-F290 HydrophobicContact CG2-CD1 4.46Å; I217-F290 HydrophobicContact CG2-CE1 4.46Å; G286-F290 WeakPolarHBondContact O-CG 3.35Å; G286-F290 PolarHBondContact O-N 2.97Å; L287-F290 PolarHBondContact O-N 3.22Å; F290-S292 VanDerWaalsContact C-N 3.29Å; F290-S292 PolarHBondContact O-N 2.76Å; F290-Y293 PolarHBondContact O-N 3.07Å; F290-E438 HydrophobicContact CD1-CG 4.09Å; F290-E438 HydrophobicContact CE1-CB 3.83Å; F290-E438 HydrophobicContact CE1-CG 3.69Å; F290-E438 HydrophobicContact CZ-CB 4.06Å; F290-E438 HydrophobicContact CZ-CG 4.38Å |
| 291 | S | 94.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -69.4 | -28.7 | 179 | -164.5 | 0 | 0 | 0 | 0 | 112.6 | F91 L287 S289 Y293 N294 | F91-S291 PolarHBondContact O-OG 3.01Å; L287-S291 WeakPolarHBondContact O-CB 3.42Å; L287-S291 PolarHBondContact O-N 2.86Å; S289-S291 PolarHBondContact O-N 2.83Å; S291-Y293 PolarHBondContact O-N 3.1Å; S291-Y293 VanDerWaalsContact O-N 3.14Å; S291-N294 WeakPolarHBondContact O-CB 3.14Å; S291-N294 PolarHBondContact O-N 2.97Å; S291-N294 VanDerWaalsContact O-N 3.09Å |
| 292 | S | 93.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.007 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -17.9 | 178.1 | 81.4 | 0 | 0 | 0 | 0 | 114.7 | R33 G94 R98 I288 S289 F290 | R33-S292 PolarHBondContact NH2-OG 2.98Å; G94-S292 WeakPolarHBondContact O-CA 3.42Å; G94-S292 WeakPolarHBondContact O-CB 3.42Å; R98-S292 VanDerWaalsContact CD-O 3.23Å; R98-S292 WeakPolarHBondContact CD-O 3.44Å; I288-S292 WeakPolarHBondContact O-CB 3.49Å; I288-S292 PolarHBondContact O-N 3.49Å; I288-S292 VanDerWaalsContact O-N 3.09Å; S289-S292 WeakPolarHBondContact O-CB 3.33Å; S289-S292 PolarHBondContact O-N 2.63Å; S289-S292 PolarHBondContact O-OG 2.81Å; F290-S292 VanDerWaalsContact C-N 3.29Å; F290-S292 PolarHBondContact O-N 2.76Å |
| 293 | Y | 90.9 | Very high | 93.9 | Very high | 27 Ų | 27 | 20 Ų | 20 | 11% | 0.106 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -8.9 | 176.9 | -55.8 | -59.8 | 0 | 0 | 0 | 113.5 | R33 P34 W36 I217 S289 F290 S291 E438 | R33-Y293 HydrophobicContact CG-CD1 4.28Å; R33-Y293 HydrophobicContact CG-CE1 4.39Å; P34-Y293 HydrophobicContact CG-CD1 4.24Å; P34-Y293 HydrophobicContact CG-CE1 3.88Å; P34-Y293 VanDerWaalsContact O-CD1 3.24Å; P34-Y293 WeakPolarHBondContact O-CD1 3.42Å; W36-Y293 HydrophobicContact CZ2-CD2 4.31Å; I217-Y293 HydrophobicContact CD1-CD1 4.05Å; I217-Y293 HydrophobicContact CD1-CD2 3.7Å; I217-Y293 HydrophobicContact CD1-CE1 4.42Å; I217-Y293 HydrophobicContact CD1-CE2 4.11Å; I217-Y293 HydrophobicContact CD1-CG 3.68Å; I217-Y293 HydrophobicContact CG2-CD2 3.93Å; I217-Y293 HydrophobicContact CG2-CE2 3.61Å; S289-Y293 WeakPolarHBondContact O-CD2 3.11Å; S289-Y293 VanDerWaalsContact O-CE2 3.29Å; S289-Y293 WeakPolarHBondContact O-CE2 3.42Å; F290-Y293 PolarHBondContact O-N 3.07Å; S291-Y293 PolarHBondContact O-N 3.1Å; S291-Y293 VanDerWaalsContact O-N 3.14Å; Y293-E438 PolarHBondContact OH-OE1 2.91Å |
| 294 | N | 92.5 | Very high | 94.1 | Very high | 11 Ų | 11 | 20 Ų | 20 | 6% | 0.059 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -74.4 | 161.2 | 175.6 | -78.1 | -37.7 | 0 | 0 | 0 | 112.5 | W36 Y42 R98 S291 N298 | W36-N294 VanDerWaalsContact CD1-OD1 3.23Å; Y42-N294 WeakPolarHBondContact CD2-ND2 3.27Å; Y42-N294 WeakPolarHBondContact CE1-ND2 3.28Å; Y42-N294 WeakPolarHBondContact CE2-ND2 3.45Å; R98-N294 PolarHBondContact NH1-O 2.86Å; R98-N294 PolarHBondContact NH2-O 2.99Å; S291-N294 WeakPolarHBondContact O-CB 3.14Å; S291-N294 PolarHBondContact O-N 2.97Å; S291-N294 VanDerWaalsContact O-N 3.09Å; N294-N298 HydrophobicContact CB-CB 4.14Å |
| 295 | S | 91.3 | Very high | 94.2 | Very high | 56 Ų | 56 | 22.3 Ų | 22.3 | 39% | 0.392 | 12% | 0.119 | S | C | . | . | trans | -60 | 157.2 | 170.2 | 56.5 | 0 | 0 | 0 | 0 | 112.6 | E26 Q95 R98 H297 N298 | E26-S295 WeakPolarHBondContact OE1-CA 3.31Å; E26-S295 WeakPolarHBondContact OE1-CB 3.3Å; Q95-S295 PolarHBondContact NE2-O 3.21Å; R98-S295 VanDerWaalsContact NH2-C 3.3Å; S295-H297 VanDerWaalsContact C-N 3.3Å; S295-H297 PolarHBondContact O-N 3.27Å; S295-N298 WeakPolarHBondContact O-CB 3.42Å; S295-N298 PolarHBondContact O-N 3.32Å | ||
| 296 | V | 91.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -38.9 | -176.9 | -178.1 | 0 | 0 | 0 | 0 | 110.3 | L22 E26 Q95 N298 F521 M522 | L22-V296 HydrophobicContact CB-CG1 4.35Å; L22-V296 HydrophobicContact CB-CG2 4.23Å; L22-V296 HydrophobicContact CD1-CG1 4.26Å; E26-V296 HydrophobicContact CB-CG2 4.16Å; E26-V296 PolarHBondContact OE1-N 3.46Å; E26-V296 WeakPolarHBondContact OE2-CB 3.5Å; E26-V296 WeakPolarHBondContact OE2-CG2 3.48Å; Q95-V296 PolarHBondContact NE2-O 3.23Å; V296-N298 VanDerWaalsContact C-N 3.3Å; V296-N298 PolarHBondContact O-N 3.32Å; V296-F521 HydrophobicContact CG1-CD1 4.41Å; V296-F521 HydrophobicContact CG1-CE1 3.63Å; V296-F521 HydrophobicContact CG1-CZ 4.34Å; V296-M522 HydrophobicContact CG1-CG 4.32Å; V296-M522 WeakPolarHBondContact O-CB 3.45Å; V296-M522 WeakPolarHBondContact O-CG 3.43Å |
| 297 | H | 93.6 | Very high | 94.5 | Very high | 101 Ų | 101 | 25.8 Ų | 25.8 | 47% | 0.468 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 22.9 | -178.8 | -62.1 | -65.3 | 0 | 0 | 0 | 113.8 | S295 F521 M522 | S295-H297 VanDerWaalsContact C-N 3.3Å; S295-H297 PolarHBondContact O-N 3.27Å; H297-F521 AromaticContact CE1-CZ 3.99Å; H297-F521 PolarHBondContact ND1-O 3.31Å; H297-M522 WeakPolarHBondContact CA-O 3.41Å |
| 298 | N | 94.1 | Very high | 94.5 | Very high | 21 Ų | 21 | 25.8 Ų | 25.8 | 11% | 0.112 | 14% | 0.137 | C | C | . | . | trans | -74 | 140.7 | 172.6 | 177.6 | 69.1 | 0 | 0 | 0 | 111.2 | K39 Q95 N294 S295 V296 C300 D303 | K39-N298 VanDerWaalsContact NZ-CG 3.33Å; K39-N298 PolarHBondContact NZ-ND2 3.32Å; K39-N298 PolarHBondContact NZ-OD1 3.3Å; Q95-N298 PolarHBondContact NE2-O 3Å; Q95-N298 PolarHBondContact OE1-ND2 3.18Å; N294-N298 HydrophobicContact CB-CB 4.14Å; S295-N298 WeakPolarHBondContact O-CB 3.42Å; S295-N298 PolarHBondContact O-N 3.32Å; V296-N298 VanDerWaalsContact C-N 3.3Å; V296-N298 PolarHBondContact O-N 3.32Å; N298-C300 PolarHBondContact O-N 2.83Å; N298-D303 PolarHBondContact ND2-OD2 3.38Å | ||
| 299 | N | 95.8 | Very high | 94.5 | Very high | 63 Ų | 63 | 30.4 Ų | 30.4 | 34% | 0.337 | 16% | 0.161 | S | C | . | . | trans | -79.5 | 86.1 | 180 | -169.6 | -18.2 | 0 | 0 | 0 | 112.1 | E301 L302 D303 | N299-E301 VanDerWaalsContact C-N 3.32Å; N299-E301 PolarHBondContact O-N 2.84Å; N299-E301 PolarHBondContact OD1-N 2.98Å; N299-L302 HydrophobicContact CB-CB 4.31Å; N299-L302 PolarHBondContact OD1-N 3.04Å; N299-D303 PolarHBondContact O-N 3.3Å | ||
| 300 | C | 95.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.1 | -24.9 | 179.4 | 62.7 | 0 | 0 | 0 | 0 | 114.2 | F91 N298 A304 | F91-C300 HydrophobicContact CB-CB 4.2Å; N298-C300 PolarHBondContact O-N 2.83Å; C300-A304 WeakPolarHBondContact O-CB 3.28Å; C300-A304 PolarHBondContact O-N 3.04Å; C300-A304 VanDerWaalsContact O-N 3.09Å |
| 301 | E | 96 | Very high | 94.5 | Very high | 24 Ų | 24 | 33 Ų | 33 | 11% | 0.112 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.4 | -48 | 177.6 | -178.6 | 170.8 | 171.2 | 0 | 0 | 110.5 | N299 D303 A304 V305 I523 H525 W531 | N299-E301 VanDerWaalsContact C-N 3.32Å; N299-E301 PolarHBondContact O-N 2.84Å; N299-E301 PolarHBondContact OD1-N 2.98Å; E301-D303 VanDerWaalsContact C-N 3.33Å; E301-D303 PolarHBondContact O-N 2.92Å; E301-A304 PolarHBondContact O-N 3.3Å; E301-V305 WeakPolarHBondContact O-CG2 3.43Å; E301-V305 PolarHBondContact O-N 3.15Å; E301-V305 VanDerWaalsContact O-N 3.14Å; E301-I523 HydrophobicContact CB-CD1 4.27Å; E301-I523 WeakPolarHBondContact OE2-CD1 3.34Å; E301-H525 IonicContact OE2-CE1 2.69Å; E301-H525 PolarHBondContact OE2-CE1 2.98Å; E301-H525 VanDerWaalsContact OE2-CE1 3.28Å; E301-W531 HydrophobicContact CG-CZ2 4.04Å; E301-W531 PolarHBondContact OE1-NE1 3.38Å |
| 302 | L | 95.2 | Very high | 94.4 | Very high | 105 Ų | 105 | 33.4 Ų | 33.4 | 55% | 0.55 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.8 | -41.3 | 176.8 | -178.6 | 64.7 | 0 | 0 | 0 | 111.5 | N299 V305 L306 | N299-L302 HydrophobicContact CB-CB 4.31Å; N299-L302 PolarHBondContact OD1-N 3.04Å; L302-V305 PolarHBondContact O-N 2.98Å; L302-L306 VanDerWaalsContact O-CB 3.24Å; L302-L306 WeakPolarHBondContact O-CB 3.4Å; L302-L306 PolarHBondContact O-N 2.84Å |
| 303 | D | 96.6 | Very high | 94.4 | Very high | 5 Ų | 5 | 37.2 Ų | 37.2 | 3% | 0.027 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.8 | -47.9 | 178 | -64.9 | -27.9 | 0 | 0 | 0 | 111.7 | K39 Y42 L43 F91 N298 N299 E301 V305 L306 I307 | K39-D303 WeakPolarHBondContact CE-OD1 3.3Å; K39-D303 IonicContact NZ-OD1 3.62Å; K39-D303 PolarHBondContact NZ-OD1 3.25Å; K39-D303 IonicContact NZ-OD2 2.76Å; K39-D303 PolarHBondContact NZ-OD2 3.02Å; Y42-D303 HydrophobicContact CE1-CB 4.3Å; Y42-D303 WeakPolarHBondContact CE1-OD2 3.38Å; L43-D303 HydrophobicContact CD2-CB 4.34Å; F91-D303 HydrophobicContact CD2-CB 4.37Å; F91-D303 HydrophobicContact CE2-CB 4.42Å; N298-D303 PolarHBondContact ND2-OD2 3.38Å; N299-D303 PolarHBondContact O-N 3.3Å; E301-D303 VanDerWaalsContact C-N 3.33Å; E301-D303 PolarHBondContact O-N 2.92Å; D303-V305 PolarHBondContact O-N 2.87Å; D303-L306 PolarHBondContact O-N 3Å; D303-I307 WeakPolarHBondContact O-CB 3.49Å; D303-I307 WeakPolarHBondContact O-CD1 3.09Å; D303-I307 VanDerWaalsContact O-CG1 3.3Å; D303-I307 WeakPolarHBondContact O-CG1 3.36Å; D303-I307 PolarHBondContact O-N 3.27Å |
| 304 | A | 96.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.4 | -46.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L87 H88 F91 C300 E301 S308 | L87-A304 HydrophobicContact CD2-CB 4.36Å; L87-A304 HydrophobicContact CG-CB 4.35Å; H88-A304 HydrophobicContact CB-CB 3.76Å; F91-A304 HydrophobicContact CD2-CB 3.89Å; F91-A304 HydrophobicContact CE2-CB 4.26Å; C300-A304 WeakPolarHBondContact O-CB 3.28Å; C300-A304 PolarHBondContact O-N 3.04Å; C300-A304 VanDerWaalsContact O-N 3.09Å; E301-A304 PolarHBondContact O-N 3.3Å; A304-S308 WeakPolarHBondContact O-CB 3.35Å; A304-S308 PolarHBondContact O-N 2.95Å; A304-S308 VanDerWaalsContact O-N 3.08Å; A304-S308 PolarHBondContact O-OG 3.4Å |
| 305 | V | 96.1 | Very high | 94.6 | Very high | 52 Ų | 52 | 35.7 Ų | 35.7 | 32% | 0.315 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65.9 | -45.4 | 179 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | E301 L302 D303 S308 I309 W531 | E301-V305 WeakPolarHBondContact O-CG2 3.43Å; E301-V305 PolarHBondContact O-N 3.15Å; E301-V305 VanDerWaalsContact O-N 3.14Å; L302-V305 PolarHBondContact O-N 2.98Å; D303-V305 PolarHBondContact O-N 2.87Å; V305-S308 PolarHBondContact O-N 3.18Å; V305-I309 HydrophobicContact CG1-CD1 3.84Å; V305-I309 HydrophobicContact CG1-CG1 4.49Å; V305-I309 WeakPolarHBondContact O-CG1 2.81Å; V305-I309 PolarHBondContact O-N 3.43Å; V305-W531 HydrophobicContact CG2-CH2 4.17Å; V305-W531 HydrophobicContact CG2-CZ2 4.05Å |
| 306 | L | 96.3 | Very high | 94.7 | Very high | 71 Ų | 71 | 34.9 Ų | 34.9 | 37% | 0.372 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61.3 | -49.5 | -179.7 | 178.3 | 63.1 | 0 | 0 | 0 | 111.7 | L43 L302 D303 S308 I309 I310 | L43-L306 HydrophobicContact CD1-CD2 4.11Å; L302-L306 VanDerWaalsContact O-CB 3.24Å; L302-L306 WeakPolarHBondContact O-CB 3.4Å; L302-L306 PolarHBondContact O-N 2.84Å; D303-L306 PolarHBondContact O-N 3Å; L306-S308 PolarHBondContact O-N 3.48Å; L306-I309 PolarHBondContact O-N 2.99Å; L306-I310 HydrophobicContact CD1-CD1 4.03Å; L306-I310 HydrophobicContact CD1-CG1 4.44Å; L306-I310 HydrophobicContact CG-CD1 3.96Å; L306-I310 WeakPolarHBondContact O-CG1 3.29Å; L306-I310 PolarHBondContact O-N 3.1Å |
| 307 | I | 95.7 | Very high | 94.8 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.9 | -37.4 | 179.2 | -70.3 | 161 | 0 | 0 | 0 | 110.5 | L43 C46 V47 L87 F91 D303 I310 N311 | L43-I307 HydrophobicContact CD2-CD1 4.07Å; L43-I307 HydrophobicContact CD2-CG1 4.34Å; C46-I307 HydrophobicContact CB-CD1 3.47Å; C46-I307 VanDerWaalsContact CB-CD1 3.47Å; C46-I307 HydrophobicContact CB-CG1 4.36Å; V47-I307 HydrophobicContact CG2-CG1 4.15Å; L87-I307 HydrophobicContact CD2-CB 4.49Å; L87-I307 HydrophobicContact CD2-CG2 4.28Å; F91-I307 HydrophobicContact CE2-CD1 3.67Å; F91-I307 HydrophobicContact CZ-CD1 3.74Å; D303-I307 WeakPolarHBondContact O-CB 3.49Å; D303-I307 WeakPolarHBondContact O-CD1 3.09Å; D303-I307 VanDerWaalsContact O-CG1 3.3Å; D303-I307 WeakPolarHBondContact O-CG1 3.36Å; D303-I307 PolarHBondContact O-N 3.27Å; I307-I310 PolarHBondContact O-N 2.99Å; I307-N311 WeakPolarHBondContact O-CB 3.43Å; I307-N311 PolarHBondContact O-N 2.98Å |
| 308 | S | 95.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.007 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.9 | -40.8 | 178 | -56.7 | 0 | 0 | 0 | 0 | 114 | L87 F280 A304 V305 L306 N311 G312 | L87-S308 VanDerWaalsContact CD2-OG 3.31Å; L87-S308 WeakPolarHBondContact CD2-OG 3.31Å; F280-S308 WeakPolarHBondContact CE1-OG 3.42Å; A304-S308 WeakPolarHBondContact O-CB 3.35Å; A304-S308 PolarHBondContact O-N 2.95Å; A304-S308 VanDerWaalsContact O-N 3.08Å; A304-S308 PolarHBondContact O-OG 3.4Å; V305-S308 PolarHBondContact O-N 3.18Å; L306-S308 PolarHBondContact O-N 3.48Å; S308-N311 PolarHBondContact O-N 3.35Å; S308-G312 PolarHBondContact O-N 2.69Å |
| 309 | I | 95.5 | Very high | 94.7 | Very high | 97 Ų | 97 | 32.1 Ų | 32.1 | 50% | 0.497 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -63.7 | -46.2 | 174 | -67.6 | 167.3 | 0 | 0 | 0 | 109.7 | V305 L306 N311 G312 C313 | V305-I309 HydrophobicContact CG1-CD1 3.84Å; V305-I309 HydrophobicContact CG1-CG1 4.49Å; V305-I309 WeakPolarHBondContact O-CG1 2.81Å; V305-I309 PolarHBondContact O-N 3.43Å; L306-I309 PolarHBondContact O-N 2.99Å; I309-N311 PolarHBondContact O-N 2.97Å; I309-G312 PolarHBondContact O-N 2.78Å; I309-C313 VanDerWaalsContact O-CB 3.3Å; I309-C313 WeakPolarHBondContact O-CB 3.38Å; I309-C313 PolarHBondContact O-N 3.12Å; I309-C313 PolarHBondContact O-SG 2.91Å |
| 310 | I | 95.1 | Very high | 94.6 | Very high | 54 Ų | 54 | 30.5 Ų | 30.5 | 28% | 0.277 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -59.2 | -47.6 | 177.9 | -67.4 | 167.9 | 0 | 0 | 0 | 110.4 | V47 L306 I307 C313 T314 | V47-I310 HydrophobicContact CG1-CG2 3.91Å; V47-I310 HydrophobicContact CG2-CD1 4.13Å; V47-I310 HydrophobicContact CG2-CG2 4.17Å; L306-I310 HydrophobicContact CD1-CD1 4.03Å; L306-I310 HydrophobicContact CD1-CG1 4.44Å; L306-I310 HydrophobicContact CG-CD1 3.96Å; L306-I310 WeakPolarHBondContact O-CG1 3.29Å; L306-I310 PolarHBondContact O-N 3.1Å; I307-I310 PolarHBondContact O-N 2.99Å; I310-C313 PolarHBondContact O-N 2.88Å; I310-T314 WeakPolarHBondContact O-CB 3.38Å; I310-T314 PolarHBondContact O-N 3.19Å; I310-T314 PolarHBondContact O-OG1 3.38Å |
| 311 | N | 93 | Very high | 94.5 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.6 | -46.6 | -180 | -177.8 | 44 | 0 | 0 | 0 | 112.3 | N55 S279 F280 I307 S308 I309 T314 S315 | N55-N311 PolarHBondContact ND2-OD1 3.19Å; S279-N311 PolarHBondContact O-ND2 3.35Å; S279-N311 PolarHBondContact O-OD1 3.19Å; S279-N311 PolarHBondContact OG-ND2 3.42Å; S279-N311 PolarHBondContact OG-OD1 2.9Å; S279-N311 VanDerWaalsContact OG-OD1 3.09Å; F280-N311 HydrophobicContact CE1-CB 4.17Å; F280-N311 HydrophobicContact CZ-CB 4.41Å; I307-N311 WeakPolarHBondContact O-CB 3.43Å; I307-N311 PolarHBondContact O-N 2.98Å; S308-N311 PolarHBondContact O-N 3.35Å; I309-N311 PolarHBondContact O-N 2.97Å; N311-T314 PolarHBondContact O-N 2.73Å; N311-S315 PolarHBondContact O-N 3.05Å; N311-S315 PolarHBondContact O-OG 3.2Å |
| 312 | G | 92.6 | Very high | 94.3 | Very high | 9 Ų | 9 | 29.5 Ų | 29.5 | 9% | 0.093 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.7 | -50 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S308 I309 T314 S315 V316 | S308-G312 PolarHBondContact O-N 2.69Å; I309-G312 PolarHBondContact O-N 2.78Å; G312-T314 VanDerWaalsContact C-N 3.32Å; G312-T314 PolarHBondContact O-N 3.34Å; G312-S315 PolarHBondContact O-N 2.97Å; G312-V316 PolarHBondContact O-N 3.45Å |
| 313 | C | 94.1 | Very high | 94.2 | Very high | 80 Ų | 80 | 24.6 Ų | 24.6 | 54% | 0.541 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -61.2 | -40.3 | 176.2 | -70.8 | 0 | 0 | 0 | 0 | 112.1 | I309 I310 S315 V316 Y317 | I309-C313 VanDerWaalsContact O-CB 3.3Å; I309-C313 WeakPolarHBondContact O-CB 3.38Å; I309-C313 PolarHBondContact O-N 3.12Å; I309-C313 PolarHBondContact O-SG 2.91Å; I310-C313 PolarHBondContact O-N 2.88Å; C313-S315 VanDerWaalsContact C-N 3.34Å; C313-S315 PolarHBondContact O-N 3.5Å; C313-V316 PolarHBondContact O-N 2.89Å; C313-Y317 WeakPolarHBondContact O-CB 3.38Å; C313-Y317 PolarHBondContact O-N 3.11Å |
| 314 | T | 93.8 | Very high | 94.1 | Very high | 7 Ų | 7 | 24.3 Ų | 24.3 | 4% | 0.043 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.3 | -37.4 | 179.7 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | V51 Y232 I310 N311 G312 Y317 S318 | V51-T314 HydrophobicContact CG1-CG2 3.63Å; V51-T314 HydrophobicContact CG2-CG2 4.25Å; Y232-T314 HydrophobicContact CE1-CG2 3.71Å; Y232-T314 WeakPolarHBondContact CE1-OG1 3.49Å; Y232-T314 PolarHBondContact OH-OG1 3.15Å; I310-T314 WeakPolarHBondContact O-CB 3.38Å; I310-T314 PolarHBondContact O-N 3.19Å; I310-T314 PolarHBondContact O-OG1 3.38Å; N311-T314 PolarHBondContact O-N 2.73Å; G312-T314 VanDerWaalsContact C-N 3.32Å; G312-T314 PolarHBondContact O-N 3.34Å; T314-Y317 PolarHBondContact O-N 3.44Å; T314-S318 WeakPolarHBondContact O-CB 2.98Å; T314-S318 PolarHBondContact O-N 3.46Å |
| 315 | S | 92.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.4 | -48 | 176.1 | -56.5 | 0 | 0 | 0 | 0 | 111.8 | N55 N311 G312 C313 A319 | N55-S315 PolarHBondContact ND2-OG 3.3Å; N311-S315 PolarHBondContact O-N 3.05Å; N311-S315 PolarHBondContact O-OG 3.2Å; G312-S315 PolarHBondContact O-N 2.97Å; C313-S315 VanDerWaalsContact C-N 3.34Å; C313-S315 PolarHBondContact O-N 3.5Å; S315-A319 WeakPolarHBondContact O-CB 3.24Å; S315-A319 PolarHBondContact O-N 3.31Å |
| 316 | V | 92.9 | Very high | 93.7 | Very high | 38 Ų | 38 | 22.3 Ų | 22.3 | 23% | 0.23 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.2 | -41.1 | 177.4 | -177.9 | 0 | 0 | 0 | 0 | 111.5 | M72 F256 G312 C313 A319 T320 | M72-V316 HydrophobicContact CE-CB 4.23Å; M72-V316 HydrophobicContact CE-CG1 3.76Å; M72-V316 HydrophobicContact CE-CG2 3.53Å; F256-V316 HydrophobicContact CZ-CG1 4.36Å; G312-V316 PolarHBondContact O-N 3.45Å; C313-V316 PolarHBondContact O-N 2.89Å; V316-A319 PolarHBondContact O-N 3.34Å; V316-T320 PolarHBondContact O-N 2.86Å; V316-T320 PolarHBondContact O-OG1 3.11Å |
| 317 | Y | 94.5 | Very high | 93.5 | Very high | 63 Ų | 63 | 19 Ų | 19 | 25% | 0.247 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.7 | -49.4 | 178.1 | -179.1 | -108.8 | 0 | 0 | 0 | 111.6 | L235 T236 L239 C313 T314 T320 V321 | L235-Y317 HydrophobicContact CB-CD1 4.47Å; L235-Y317 HydrophobicContact CB-CE1 3.75Å; L235-Y317 HydrophobicContact CD1-CD1 4.42Å; L235-Y317 HydrophobicContact CD1-CE1 4.44Å; T236-Y317 WeakPolarHBondContact CA-OH 3.3Å; T236-Y317 PolarHBondContact N-OH 3.25Å; T236-Y317 PolarHBondContact OG1-OH 3.08Å; T236-Y317 VanDerWaalsContact OG1-OH 3.13Å; L239-Y317 HydrophobicContact CD2-CD2 4.5Å; L239-Y317 HydrophobicContact CD2-CE2 3.52Å; C313-Y317 WeakPolarHBondContact O-CB 3.38Å; C313-Y317 PolarHBondContact O-N 3.11Å; T314-Y317 PolarHBondContact O-N 3.44Å; Y317-T320 WeakPolarHBondContact O-CB 3.36Å; Y317-T320 PolarHBondContact O-N 2.97Å; Y317-V321 HydrophobicContact CE1-CG2 4.46Å; Y317-V321 WeakPolarHBondContact O-CG2 3.38Å; Y317-V321 PolarHBondContact O-N 3.21Å |
| 318 | S | 93 | Very high | 93.4 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.007 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -57.2 | -51.3 | 174.3 | 178.1 | 0 | 0 | 0 | 0 | 110.8 | N55 V56 T314 T320 V321 I322 | N55-S318 WeakPolarHBondContact O-CB 3.39Å; N55-S318 PolarHBondContact O-OG 3.27Å; V56-S318 WeakPolarHBondContact CA-OG 3.23Å; T314-S318 WeakPolarHBondContact O-CB 2.98Å; T314-S318 PolarHBondContact O-N 3.46Å; S318-T320 VanDerWaalsContact C-N 3.26Å; S318-T320 PolarHBondContact O-N 2.76Å; S318-V321 WeakPolarHBondContact O-CB 3.28Å; S318-V321 PolarHBondContact O-N 3.25Å; S318-V321 VanDerWaalsContact O-N 3.08Å; S318-I322 WeakPolarHBondContact O-CG1 3.06Å; S318-I322 PolarHBondContact O-N 3.02Å |
| 319 | A | 92.5 | Very high | 93.2 | Very high | 2 Ų | 2 | 20.6 Ų | 20.6 | 2% | 0.017 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -55 | -41.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | F59 P60 L255 S315 V316 V321 I322 Y323 | F59-A319 HydrophobicContact CD1-CB 4.02Å; F59-A319 HydrophobicContact CE1-CB 3.99Å; P60-A319 HydrophobicContact CG-CB 4.2Å; L255-A319 HydrophobicContact CD1-CB 4.43Å; L255-A319 HydrophobicContact CD2-CB 3.97Å; S315-A319 WeakPolarHBondContact O-CB 3.24Å; S315-A319 PolarHBondContact O-N 3.31Å; V316-A319 PolarHBondContact O-N 3.34Å; A319-V321 PolarHBondContact O-N 3.42Å; A319-I322 PolarHBondContact O-N 2.9Å; A319-Y323 WeakPolarHBondContact O-CB 2.96Å; A319-Y323 VanDerWaalsContact O-CD2 3.29Å; A319-Y323 WeakPolarHBondContact O-CD2 3.49Å; A319-Y323 PolarHBondContact O-N 2.7Å |
| 320 | T | 93.9 | Very high | 93 | Very high | 28 Ų | 28 | 16 Ų | 16 | 17% | 0.172 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.2 | -44.3 | 177.7 | -54.8 | 0 | 0 | 0 | 0 | 111.9 | L239 I252 V316 Y317 S318 I322 S324 | L239-T320 HydrophobicContact CD1-CG2 4.4Å; I252-T320 HydrophobicContact CD1-CG2 4.27Å; I252-T320 HydrophobicContact CG1-CG2 4.45Å; V316-T320 PolarHBondContact O-N 2.86Å; V316-T320 PolarHBondContact O-OG1 3.11Å; Y317-T320 WeakPolarHBondContact O-CB 3.36Å; Y317-T320 PolarHBondContact O-N 2.97Å; S318-T320 VanDerWaalsContact C-N 3.26Å; S318-T320 PolarHBondContact O-N 2.76Å; T320-I322 VanDerWaalsContact C-N 3.32Å; T320-I322 PolarHBondContact O-N 3.05Å; T320-S324 PolarHBondContact O-N 2.85Å; T320-S324 VanDerWaalsContact O-N 3.09Å |
| 321 | V | 94.5 | Very high | 92.9 | Very high | 2 Ų | 2 | 14 Ų | 14 | 1% | 0.012 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -59.5 | -47.2 | 174.2 | 176.3 | 0 | 0 | 0 | 0 | 110.1 | L235 F238 L239 Y317 S318 A319 S324 I325 | L235-V321 HydrophobicContact CD2-CG1 4.38Å; F238-V321 HydrophobicContact CB-CG1 3.71Å; L239-V321 HydrophobicContact CB-CG2 3.8Å; L239-V321 HydrophobicContact CD1-CG2 3.98Å; L239-V321 HydrophobicContact CG-CG2 4.38Å; Y317-V321 HydrophobicContact CE1-CG2 4.46Å; Y317-V321 WeakPolarHBondContact O-CG2 3.38Å; Y317-V321 PolarHBondContact O-N 3.21Å; S318-V321 WeakPolarHBondContact O-CB 3.28Å; S318-V321 PolarHBondContact O-N 3.25Å; S318-V321 VanDerWaalsContact O-N 3.08Å; A319-V321 PolarHBondContact O-N 3.42Å; V321-S324 PolarHBondContact O-N 3.06Å; V321-S324 PolarHBondContact O-OG 3.16Å; V321-I325 PolarHBondContact O-N 3.47Å |
| 322 | I | 92.1 | Very high | 92.9 | Very high | 2 Ų | 2 | 16.3 Ų | 16.3 | 1% | 0.01 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.2 | -48 | -175.1 | -64.5 | -64.9 | 0 | 0 | 0 | 111.7 | V56 P60 S318 A319 T320 S324 I325 I326 L399 F404 | V56-I322 HydrophobicContact CG1-CD1 3.88Å; V56-I322 WeakPolarHBondContact O-CG1 3.35Å; P60-I322 HydrophobicContact CB-CB 4.31Å; P60-I322 HydrophobicContact CB-CG2 3.83Å; P60-I322 HydrophobicContact CG-CB 4.14Å; P60-I322 HydrophobicContact CG-CG1 4.1Å; P60-I322 HydrophobicContact CG-CG2 4.1Å; S318-I322 WeakPolarHBondContact O-CG1 3.06Å; S318-I322 PolarHBondContact O-N 3.02Å; A319-I322 PolarHBondContact O-N 2.9Å; T320-I322 VanDerWaalsContact C-N 3.32Å; T320-I322 PolarHBondContact O-N 3.05Å; I322-S324 VanDerWaalsContact C-N 3.28Å; I322-S324 PolarHBondContact O-N 3.17Å; I322-I325 PolarHBondContact O-N 3.44Å; I322-I325 VanDerWaalsContact O-N 3.11Å; I322-I326 HydrophobicContact CG2-CD1 3.79Å; I322-I326 HydrophobicContact CG2-CG1 4.39Å; I322-I326 WeakPolarHBondContact O-CG1 3.46Å; I322-I326 PolarHBondContact O-N 3.08Å; I322-L399 HydrophobicContact CG2-CD2 4.02Å; I322-F404 HydrophobicContact CB-CE2 4.49Å; I322-F404 HydrophobicContact CB-CZ 4.13Å; I322-F404 HydrophobicContact CD1-CE1 3.72Å; I322-F404 HydrophobicContact CD1-CE2 3.56Å; I322-F404 HydrophobicContact CD1-CZ 3.05Å; I322-F404 HydrophobicContact CG1-CZ 4.11Å; I322-F404 HydrophobicContact CG2-CE2 3.82Å; I322-F404 HydrophobicContact CG2-CZ 3.94Å |
| 323 | Y | 92.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 0% | 0.004 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -68 | -26.1 | 179.1 | -87.4 | -93.1 | 0 | 0 | 0 | 113.4 | P60 Q64 G251 Y254 L255 A319 I325 I326 G327 | P60-Y323 HydrophobicContact CB-CD2 4.3Å; P60-Y323 HydrophobicContact CB-CE2 3.86Å; P60-Y323 PolarHBondContact O-OH 3Å; P60-Y323 VanDerWaalsContact O-OH 3.11Å; Q64-Y323 VanDerWaalsContact CA-OH 3.23Å; Q64-Y323 WeakPolarHBondContact CA-OH 3.2Å; Q64-Y323 WeakPolarHBondContact CB-OH 3.3Å; Q64-Y323 PolarHBondContact N-OH 3.49Å; G251-Y323 WeakPolarHBondContact CA-O 3.45Å; G251-Y323 VanDerWaalsContact O-CD1 3.3Å; G251-Y323 WeakPolarHBondContact O-CD1 3.47Å; Y254-Y323 HydrophobicContact CD1-CD1 4.31Å; Y254-Y323 AromaticContact CD1-CE1 3.62Å; Y254-Y323 HydrophobicContact CD1-CE1 3.62Å; Y254-Y323 HydrophobicContact CE1-CE1 4.06Å; L255-Y323 HydrophobicContact CB-CD1 3.86Å; L255-Y323 HydrophobicContact CB-CD2 4.1Å; L255-Y323 HydrophobicContact CB-CE1 4.2Å; L255-Y323 HydrophobicContact CB-CE2 4.4Å; L255-Y323 HydrophobicContact CB-CG 3.77Å; L255-Y323 HydrophobicContact CD1-CD2 3.89Å; L255-Y323 HydrophobicContact CD1-CE2 3.65Å; L255-Y323 HydrophobicContact CD1-CG 4.44Å; L255-Y323 HydrophobicContact CD2-CD2 3.9Å; L255-Y323 HydrophobicContact CD2-CG 4.13Å; L255-Y323 HydrophobicContact CG-CD2 4.17Å; L255-Y323 HydrophobicContact CG-CE2 4.39Å; L255-Y323 HydrophobicContact CG-CG 4.33Å; A319-Y323 WeakPolarHBondContact O-CB 2.96Å; A319-Y323 VanDerWaalsContact O-CD2 3.29Å; A319-Y323 WeakPolarHBondContact O-CD2 3.49Å; A319-Y323 PolarHBondContact O-N 2.7Å; Y323-I325 VanDerWaalsContact C-N 3.27Å; Y323-I325 PolarHBondContact O-N 3.07Å; Y323-I326 HydrophobicContact CD1-CD1 4.49Å; Y323-I326 HydrophobicContact CG-CD1 4.5Å; Y323-I326 PolarHBondContact O-N 2.89Å; Y323-G327 PolarHBondContact O-N 3.16Å |
| 324 | S | 94.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.6 | -36.1 | 171.7 | 79 | 0 | 0 | 0 | 0 | 112.2 | S248 T320 V321 I322 F328 | S248-S324 WeakPolarHBondContact CA-O 3.35Å; S248-S324 WeakPolarHBondContact CB-O 3.41Å; T320-S324 PolarHBondContact O-N 2.85Å; T320-S324 VanDerWaalsContact O-N 3.09Å; V321-S324 PolarHBondContact O-N 3.06Å; V321-S324 PolarHBondContact O-OG 3.16Å; I322-S324 VanDerWaalsContact C-N 3.28Å; I322-S324 PolarHBondContact O-N 3.17Å; S324-F328 PolarHBondContact O-N 3.16Å |
| 325 | I | 92.1 | Very high | 92.5 | Very high | 3 Ų | 3 | 18 Ų | 18 | 2% | 0.015 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -80.8 | -38.5 | 179.4 | -66.9 | 165.8 | 0 | 0 | 0 | 110.7 | F238 V321 I322 Y323 G327 F328 R329 F404 A407 M411 | F238-I325 HydrophobicContact CD1-CD1 3.93Å; V321-I325 PolarHBondContact O-N 3.47Å; I322-I325 PolarHBondContact O-N 3.44Å; I322-I325 VanDerWaalsContact O-N 3.11Å; Y323-I325 VanDerWaalsContact C-N 3.27Å; Y323-I325 PolarHBondContact O-N 3.07Å; I325-G327 VanDerWaalsContact C-N 3.3Å; I325-G327 PolarHBondContact O-N 2.89Å; I325-F328 WeakPolarHBondContact O-CB 3.31Å; I325-F328 PolarHBondContact O-N 3.39Å; I325-R329 PolarHBondContact O-N 3.45Å; I325-F404 HydrophobicContact CB-CE1 4.2Å; I325-F404 HydrophobicContact CB-CZ 4.12Å; I325-F404 HydrophobicContact CD1-CD1 4.29Å; I325-F404 HydrophobicContact CD1-CE1 3.43Å; I325-F404 VanDerWaalsContact CD1-CE1 3.43Å; I325-F404 HydrophobicContact CD1-CZ 4.04Å; I325-F404 HydrophobicContact CG1-CE1 4.4Å; I325-F404 HydrophobicContact CG2-CD1 4.41Å; I325-F404 HydrophobicContact CG2-CE1 4.06Å; I325-F404 HydrophobicContact CG2-CZ 4.17Å; I325-A407 HydrophobicContact CG2-CB 3.46Å; I325-A407 VanDerWaalsContact CG2-CB 3.46Å; I325-M411 HydrophobicContact CG2-CE 4.43Å |
| 326 | I | 90.8 | Very high | 92.4 | Very high | 7 Ų | 7 | 23.1 Ų | 23.1 | 4% | 0.036 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.4 | -42.9 | 171.9 | -65.3 | 170.7 | 0 | 0 | 0 | 110.5 | I322 Y323 F328 R329 A330 L390 L399 V403 | I322-I326 HydrophobicContact CG2-CD1 3.79Å; I322-I326 HydrophobicContact CG2-CG1 4.39Å; I322-I326 WeakPolarHBondContact O-CG1 3.46Å; I322-I326 PolarHBondContact O-N 3.08Å; Y323-I326 HydrophobicContact CD1-CD1 4.49Å; Y323-I326 HydrophobicContact CG-CD1 4.5Å; Y323-I326 PolarHBondContact O-N 2.89Å; I326-F328 VanDerWaalsContact C-N 3.35Å; I326-F328 PolarHBondContact O-N 3Å; I326-R329 PolarHBondContact O-N 3.06Å; I326-A330 WeakPolarHBondContact O-CB 3.38Å; I326-A330 PolarHBondContact O-N 3.41Å; I326-L390 HydrophobicContact CG2-CD2 4.47Å; I326-L399 HydrophobicContact CD1-CD1 4.16Å; I326-V403 HydrophobicContact CG1-CG1 4.18Å |
| 327 | G | 93 | Very high | 92.3 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.2 | -41.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | G247 Y323 I325 T331 | G247-G327 CarbonylContact O-C 3.59Å; Y323-G327 PolarHBondContact O-N 3.16Å; I325-G327 VanDerWaalsContact C-N 3.3Å; I325-G327 PolarHBondContact O-N 2.89Å; G327-T331 WeakPolarHBondContact O-CB 3.23Å; G327-T331 PolarHBondContact O-N 2.99Å; G327-T331 PolarHBondContact O-OG1 3.27Å |
| 328 | F | 93.3 | Very high | 92.1 | Very high | 12 Ų | 12 | 19.6 Ų | 19.6 | 5% | 0.053 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.8 | -50.7 | 172.5 | 166.9 | -107.3 | 0 | 0 | 0 | 112 | L245 K246 S324 I325 I326 A330 T331 Q332 A407 E410 | L245-F328 HydrophobicContact CB-CB 3.95Å; L245-F328 HydrophobicContact CB-CD2 3.65Å; L245-F328 HydrophobicContact CB-CE2 4.32Å; L245-F328 HydrophobicContact CB-CG 3.87Å; L245-F328 HydrophobicContact CD1-CB 4.13Å; L245-F328 HydrophobicContact CD1-CD1 3.91Å; L245-F328 HydrophobicContact CD1-CD2 4.27Å; L245-F328 HydrophobicContact CD1-CE1 4.38Å; L245-F328 HydrophobicContact CD1-CG 3.83Å; L245-F328 HydrophobicContact CD2-CD2 4.29Å; L245-F328 HydrophobicContact CD2-CE2 4.14Å; L245-F328 HydrophobicContact CD2-CZ 4.4Å; L245-F328 HydrophobicContact CG-CD2 4.28Å; L245-F328 HydrophobicContact CG-CG 4.32Å; K246-F328 WeakPolarHBondContact O-CA 3.34Å; K246-F328 WeakPolarHBondContact O-CD2 3.41Å; S324-F328 PolarHBondContact O-N 3.16Å; I325-F328 WeakPolarHBondContact O-CB 3.31Å; I325-F328 PolarHBondContact O-N 3.39Å; I326-F328 VanDerWaalsContact C-N 3.35Å; I326-F328 PolarHBondContact O-N 3Å; F328-A330 PolarHBondContact O-N 2.72Å; F328-T331 PolarHBondContact O-N 2.95Å; F328-Q332 HydrophobicContact CD2-CG 4.23Å; F328-Q332 HydrophobicContact CE1-CG 4.3Å; F328-Q332 HydrophobicContact CE2-CG 3.8Å; F328-Q332 VanDerWaalsContact CE2-NE2 3.31Å; F328-Q332 HydrophobicContact CZ-CG 3.83Å; F328-Q332 WeakPolarHBondContact O-CG 3.18Å; F328-Q332 PolarHBondContact O-N 3.46Å; F328-A407 HydrophobicContact CD1-CB 4.38Å; F328-E410 HydrophobicContact CE1-CB 3.94Å; F328-E410 HydrophobicContact CZ-CB 3.92Å |
| 329 | R | 91.3 | Very high | 91.9 | Very high | 25 Ų | 25 | 21.2 Ų | 21.2 | 9% | 0.094 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -57.8 | -47.9 | 178 | 176.7 | -171.8 | 175.5 | -129.8 | 7.3 | 112 | I325 I326 T331 Q332 K333 E406 A407 | I325-R329 PolarHBondContact O-N 3.45Å; I326-R329 PolarHBondContact O-N 3.06Å; R329-T331 VanDerWaalsContact C-N 3.26Å; R329-T331 PolarHBondContact O-N 3.48Å; R329-Q332 PolarHBondContact O-N 2.96Å; R329-K333 PolarHBondContact O-N 3.42Å; R329-E406 IonicContact CZ-OE2 3.51Å; R329-E406 IonicContact NE-OE2 3.62Å; R329-E406 PolarHBondContact NE-OE2 3.34Å; R329-E406 IonicContact NH2-OE2 2.73Å; R329-E406 PolarHBondContact NH2-OE2 3.18Å; R329-A407 HydrophobicContact CB-CB 4.49Å |
| 330 | A | 92 | Very high | 91.8 | Very high | 2 Ų | 2 | 25 Ų | 25 | 2% | 0.017 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.3 | -38 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | I326 F328 K333 Y334 M386 F389 L390 | I326-A330 WeakPolarHBondContact O-CB 3.38Å; I326-A330 PolarHBondContact O-N 3.41Å; F328-A330 PolarHBondContact O-N 2.72Å; A330-K333 PolarHBondContact O-N 3.21Å; A330-Y334 VanDerWaalsContact O-CB 3.26Å; A330-Y334 WeakPolarHBondContact O-CB 3.22Å; A330-Y334 PolarHBondContact O-N 3.35Å; A330-M386 HydrophobicContact CB-SD 4.05Å; A330-F389 HydrophobicContact CB-CB 3.97Å; A330-L390 HydrophobicContact CB-CD2 3.61Å; A330-L390 HydrophobicContact CB-CG 3.94Å |
| 331 | T | 93.1 | Very high | 91.6 | Very high | 12 Ų | 12 | 23.8 Ų | 23.8 | 7% | 0.074 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -68.1 | -39.8 | 176.9 | -56.6 | 0 | 0 | 0 | 0 | 112.4 | K246 G247 G327 F328 R329 Y334 D335 | K246-T331 HydrophobicContact CD-CG2 4.29Å; K246-T331 HydrophobicContact CG-CG2 4.25Å; G247-T331 WeakPolarHBondContact CA-OG1 3.44Å; G327-T331 WeakPolarHBondContact O-CB 3.23Å; G327-T331 PolarHBondContact O-N 2.99Å; G327-T331 PolarHBondContact O-OG1 3.27Å; F328-T331 PolarHBondContact O-N 2.95Å; R329-T331 VanDerWaalsContact C-N 3.26Å; R329-T331 PolarHBondContact O-N 3.48Å; T331-Y334 PolarHBondContact O-N 3.31Å; T331-D335 WeakPolarHBondContact O-CB 3.23Å; T331-D335 VanDerWaalsContact O-CG 3.31Å; T331-D335 PolarHBondContact O-N 3Å |
| 332 | Q | 91.8 | Very high | 91.4 | Very high | 49 Ų | 49 | 24.6 Ų | 24.6 | 23% | 0.229 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.6 | -49.7 | 173.4 | -69 | -59.9 | -30.9 | 0 | 0 | 111.4 | F328 R329 Y334 D335 E336 | F328-Q332 HydrophobicContact CD2-CG 4.23Å; F328-Q332 HydrophobicContact CE1-CG 4.3Å; F328-Q332 HydrophobicContact CE2-CG 3.8Å; F328-Q332 VanDerWaalsContact CE2-NE2 3.31Å; F328-Q332 HydrophobicContact CZ-CG 3.83Å; F328-Q332 WeakPolarHBondContact O-CG 3.18Å; F328-Q332 PolarHBondContact O-N 3.46Å; R329-Q332 PolarHBondContact O-N 2.96Å; Q332-Y334 VanDerWaalsContact C-N 3.27Å; Q332-Y334 PolarHBondContact O-N 2.93Å; Q332-D335 PolarHBondContact O-N 2.96Å; Q332-D335 VanDerWaalsContact O-N 3.11Å; Q332-E336 WeakPolarHBondContact O-CG 3.36Å; Q332-E336 PolarHBondContact O-N 3.22Å |
| 333 | K | 89.6 | Confident | 91.2 | Very high | 40 Ų | 40 | 28.9 Ų | 28.9 | 17% | 0.174 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.6 | -38.7 | 177.4 | -70.9 | -165.9 | 175.4 | -166.4 | 0 | 112.8 | R329 A330 C337 F389 E406 | R329-K333 PolarHBondContact O-N 3.42Å; A330-K333 PolarHBondContact O-N 3.21Å; K333-C337 VanDerWaalsContact O-CB 3.24Å; K333-C337 WeakPolarHBondContact O-CB 3.41Å; K333-C337 PolarHBondContact O-N 2.99Å; K333-F389 HydrophobicContact CB-CD1 4.23Å; K333-F389 HydrophobicContact CB-CE1 4.38Å; K333-F389 HydrophobicContact CB-CG 4.33Å; K333-F389 HydrophobicContact CD-CD1 4.49Å; K333-E406 WeakPolarHBondContact CE-OE1 3.47Å; K333-E406 IonicContact NZ-OE1 3.85Å; K333-E406 PolarHBondContact NZ-OE1 3.26Å; K333-E406 IonicContact NZ-OE2 2.63Å; K333-E406 PolarHBondContact NZ-OE2 3.45Å |
| 334 | Y | 91.7 | Very high | 91 | Very high | 62 Ų | 62 | 31.9 Ų | 31.9 | 24% | 0.243 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.4 | -46.8 | 175 | -179.3 | -91.5 | 0 | 0 | 0 | 111.6 | A330 T331 Q332 C337 F338 C384 M386 F389 | A330-Y334 VanDerWaalsContact O-CB 3.26Å; A330-Y334 WeakPolarHBondContact O-CB 3.22Å; A330-Y334 PolarHBondContact O-N 3.35Å; T331-Y334 PolarHBondContact O-N 3.31Å; Q332-Y334 VanDerWaalsContact C-N 3.27Å; Q332-Y334 PolarHBondContact O-N 2.93Å; Y334-C337 PolarHBondContact O-N 2.85Å; Y334-F338 HydrophobicContact CD1-CD2 4.08Å; Y334-F338 HydrophobicContact CD1-CE2 4.48Å; Y334-F338 HydrophobicContact CD2-CD2 4.15Å; Y334-F338 HydrophobicContact CD2-CE2 4.05Å; Y334-F338 AromaticContact CE1-CD2 3.68Å; Y334-F338 HydrophobicContact CE1-CD2 3.68Å; Y334-F338 AromaticContact CE1-CE2 3.79Å; Y334-F338 HydrophobicContact CE1-CE2 3.79Å; Y334-F338 AromaticContact CE2-CD2 3.78Å; Y334-F338 HydrophobicContact CE2-CD2 3.78Å; Y334-F338 AromaticContact CE2-CE2 3.28Å; Y334-F338 HydrophobicContact CE2-CE2 3.28Å; Y334-F338 HydrophobicContact CE2-CZ 4.31Å; Y334-F338 HydrophobicContact CG-CD2 4.29Å; Y334-F338 AromaticContact CZ-CD2 3.52Å; Y334-F338 AromaticContact CZ-CE2 3.12Å; Y334-F338 AromaticContact CZ-CZ 3.92Å; Y334-F338 WeakPolarHBondContact O-CD2 3.47Å; Y334-F338 PolarHBondContact O-N 3.3Å; Y334-F338 WeakPolarHBondContact OH-CE2 3.46Å; Y334-F338 WeakPolarHBondContact OH-CZ 3.36Å; Y334-C384 WeakPolarHBondContact CE2-O 3.38Å; Y334-M386 HydrophobicContact CD1-CE 3.86Å; Y334-M386 HydrophobicContact CD2-CB 4.14Å; Y334-M386 HydrophobicContact CD2-CE 3.91Å; Y334-M386 HydrophobicContact CE2-CB 4.33Å; Y334-M386 HydrophobicContact CG-CE 3.51Å; Y334-F389 HydrophobicContact CD2-CD2 4.47Å |
| 335 | D | 91.5 | Very high | 90.7 | Very high | 30 Ų | 30 | 31.9 Ų | 31.9 | 16% | 0.16 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.9 | -41.8 | 178.2 | -74.3 | -33.7 | 0 | 0 | 0 | 112.1 | K246 T331 Q332 G339 Q358 | K246-D335 IonicContact NZ-OD1 3.2Å; K246-D335 IonicContact NZ-OD2 3.05Å; K246-D335 PolarHBondContact NZ-OD2 3.29Å; T331-D335 WeakPolarHBondContact O-CB 3.23Å; T331-D335 VanDerWaalsContact O-CG 3.31Å; T331-D335 PolarHBondContact O-N 3Å; Q332-D335 PolarHBondContact O-N 2.96Å; Q332-D335 VanDerWaalsContact O-N 3.11Å; D335-G339 PolarHBondContact O-N 3.23Å; D335-Q358 PolarHBondContact OD1-NE2 3.29Å |
| 336 | E | 90 | Very high | 90.5 | Very high | 107 Ų | 107 | 32.7 Ų | 32.7 | 50% | 0.5 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -63.8 | -49 | 176.1 | -73.1 | 174 | 177.2 | 0 | 0 | 112 | Q332 F338 G339 D340 | Q332-E336 WeakPolarHBondContact O-CG 3.36Å; Q332-E336 PolarHBondContact O-N 3.22Å; E336-F338 VanDerWaalsContact C-N 3.33Å; E336-F338 PolarHBondContact O-N 3.06Å; E336-G339 PolarHBondContact O-N 2.61Å; E336-G339 VanDerWaalsContact O-N 3.11Å; E336-D340 PolarHBondContact O-N 3.03Å |
| 337 | C | 90.8 | Very high | 90.4 | Very high | 8 Ų | 8 | 37.4 Ų | 37.4 | 5% | 0.054 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.5 | -45.4 | 177.7 | -176.5 | 0 | 0 | 0 | 0 | 111.6 | K333 Y334 N341 C384 F389 | K333-C337 VanDerWaalsContact O-CB 3.24Å; K333-C337 WeakPolarHBondContact O-CB 3.41Å; K333-C337 PolarHBondContact O-N 2.99Å; Y334-C337 PolarHBondContact O-N 2.85Å; C337-N341 PolarHBondContact O-N 3.28Å; C337-N341 VanDerWaalsContact O-N 3.15Å; C337-C384 HydrophobicContact CB-CB 3.85Å; C337-C384 WeakPolarHBondContact CB-SG 3.21Å; C337-C384 PolarHBondContact O-SG 3.47Å; C337-C384 VanDerWaalsContact SG-CA 3.55Å; C337-C384 WeakPolarHBondContact SG-CB 3.28Å; C337-C384 CovalentContact SG-SG 2.03Å; C337-C384 PolarHBondContact SG-SG 3.45Å; C337-F389 HydrophobicContact CB-CE2 4.44Å; C337-F389 HydrophobicContact CB-CZ 4.27Å |
| 338 | F | 89.9 | Confident | 90.2 | Very high | 18 Ų | 18 | 40.5 Ų | 40.5 | 8% | 0.079 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.9 | -41.5 | 174.9 | -95.9 | -88.7 | 0 | 0 | 0 | 112.2 | Y334 E336 D340 N341 I342 Q358 Y361 C384 | Y334-F338 HydrophobicContact CD1-CD2 4.08Å; Y334-F338 HydrophobicContact CD1-CE2 4.48Å; Y334-F338 HydrophobicContact CD2-CD2 4.15Å; Y334-F338 HydrophobicContact CD2-CE2 4.05Å; Y334-F338 AromaticContact CE1-CD2 3.68Å; Y334-F338 HydrophobicContact CE1-CD2 3.68Å; Y334-F338 AromaticContact CE1-CE2 3.79Å; Y334-F338 HydrophobicContact CE1-CE2 3.79Å; Y334-F338 AromaticContact CE2-CD2 3.78Å; Y334-F338 HydrophobicContact CE2-CD2 3.78Å; Y334-F338 AromaticContact CE2-CE2 3.28Å; Y334-F338 HydrophobicContact CE2-CE2 3.28Å; Y334-F338 HydrophobicContact CE2-CZ 4.31Å; Y334-F338 HydrophobicContact CG-CD2 4.29Å; Y334-F338 AromaticContact CZ-CD2 3.52Å; Y334-F338 AromaticContact CZ-CE2 3.12Å; Y334-F338 AromaticContact CZ-CZ 3.92Å; Y334-F338 WeakPolarHBondContact O-CD2 3.47Å; Y334-F338 PolarHBondContact O-N 3.3Å; Y334-F338 WeakPolarHBondContact OH-CE2 3.46Å; Y334-F338 WeakPolarHBondContact OH-CZ 3.36Å; E336-F338 VanDerWaalsContact C-N 3.33Å; E336-F338 PolarHBondContact O-N 3.06Å; F338-D340 VanDerWaalsContact C-N 3.34Å; F338-D340 PolarHBondContact O-N 3.27Å; F338-N341 PolarHBondContact O-N 3.1Å; F338-I342 WeakPolarHBondContact O-CB 3.46Å; F338-I342 WeakPolarHBondContact O-CG1 3.28Å; F338-I342 PolarHBondContact O-N 3.37Å; F338-Q358 HydrophobicContact CB-CG 4.48Å; F338-Y361 HydrophobicContact CD1-CD1 4.18Å; F338-Y361 HydrophobicContact CD1-CE1 4.44Å; F338-Y361 HydrophobicContact CD1-CG 4.26Å; F338-Y361 AromaticContact CE1-CD1 3.57Å; F338-Y361 HydrophobicContact CE1-CD1 3.57Å; F338-Y361 AromaticContact CE1-CE1 3.87Å; F338-Y361 HydrophobicContact CE1-CE1 3.87Å; F338-Y361 HydrophobicContact CE1-CG 4.06Å; F338-C384 HydrophobicContact CD2-CB 3.45Å; F338-C384 VanDerWaalsContact CD2-CB 3.45Å; F338-C384 HydrophobicContact CE2-CB 3.3Å; F338-C384 HydrophobicContact CG-CB 4.43Å; F338-C384 HydrophobicContact CZ-CB 4.22Å |
| 339 | G | 89.9 | Confident | 89.9 | Confident | 35 Ų | 35 | 42.4 Ų | 42.4 | 36% | 0.361 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -57.3 | -45.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | D335 E336 I342 L343 | D335-G339 PolarHBondContact O-N 3.23Å; E336-G339 PolarHBondContact O-N 2.61Å; E336-G339 VanDerWaalsContact O-N 3.11Å; G339-I342 PolarHBondContact O-N 2.66Å; G339-L343 VanDerWaalsContact O-CB 3.31Å; G339-L343 WeakPolarHBondContact O-CB 3.28Å; G339-L343 PolarHBondContact O-N 3.01Å |
| 340 | D | 89.4 | Confident | 89.7 | Confident | 83 Ų | 83 | 48 Ų | 48 | 44% | 0.444 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64.5 | -43.7 | 177.6 | -82.3 | -6.8 | 0 | 0 | 0 | 112.5 | E336 F338 L343 K344 | E336-D340 PolarHBondContact O-N 3.03Å; F338-D340 VanDerWaalsContact C-N 3.34Å; F338-D340 PolarHBondContact O-N 3.27Å; D340-L343 PolarHBondContact O-N 3.03Å; D340-K344 WeakPolarHBondContact O-CB 3.47Å; D340-K344 VanDerWaalsContact O-CG 3.28Å; D340-K344 WeakPolarHBondContact O-CG 3.48Å; D340-K344 PolarHBondContact O-N 3.41Å |
| 341 | N | 90.6 | Very high | 89.5 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 175.5 | -79.5 | -13.2 | 0 | 0 | 0 | 111.6 | C337 F338 K344 L345 Y361 L381 Q382 C384 | C337-N341 PolarHBondContact O-N 3.28Å; C337-N341 VanDerWaalsContact O-N 3.15Å; F338-N341 PolarHBondContact O-N 3.1Å; N341-K344 PolarHBondContact O-N 2.78Å; N341-L345 WeakPolarHBondContact O-CG 3.42Å; N341-L345 PolarHBondContact O-N 3.08Å; N341-Y361 HydrophobicContact CB-CE2 4.05Å; N341-Y361 PolarHBondContact ND2-OH 2.85Å; N341-L381 HydrophobicContact CB-CD2 4.18Å; N341-Q382 PolarHBondContact ND2-O 3.39Å; N341-Q382 PolarHBondContact OD1-N 3.06Å; N341-C384 PolarHBondContact ND2-SG 3.12Å; N341-C384 VanDerWaalsContact ND2-SG 3.38Å |
| 342 | I | 89.6 | Confident | 89.2 | Confident | 20 Ų | 20 | 55.1 Ų | 55.1 | 10% | 0.103 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.2 | -47.8 | 176.4 | -72.4 | 169.1 | 0 | 0 | 0 | 110.1 | F338 G339 K344 L345 M346 I356 Q358 Y361 | F338-I342 WeakPolarHBondContact O-CB 3.46Å; F338-I342 WeakPolarHBondContact O-CG1 3.28Å; F338-I342 PolarHBondContact O-N 3.37Å; G339-I342 PolarHBondContact O-N 2.66Å; I342-K344 PolarHBondContact O-N 3.24Å; I342-L345 PolarHBondContact O-N 3.1Å; I342-M346 HydrophobicContact CG2-CG 4.16Å; I342-M346 HydrophobicContact CG2-SD 3.52Å; I342-M346 VanDerWaalsContact CG2-SD 3.52Å; I342-M346 WeakPolarHBondContact O-CB 3.43Å; I342-M346 WeakPolarHBondContact O-CG 3.3Å; I342-M346 PolarHBondContact O-N 3.37Å; I342-I356 HydrophobicContact CG1-CG2 3.97Å; I342-I356 HydrophobicContact CG2-CB 4.03Å; I342-I356 HydrophobicContact CG2-CG2 4.04Å; I342-Q358 HydrophobicContact CD1-CG 4.42Å; I342-Y361 HydrophobicContact CD1-CD2 4.44Å; I342-Y361 HydrophobicContact CG1-CD2 3.68Å; I342-Y361 HydrophobicContact CG1-CE2 4.14Å |
| 343 | L | 89.3 | Confident | 88.7 | Confident | 91 Ų | 91 | 61 Ų | 61 | 48% | 0.476 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61 | -43.3 | -179.8 | -176.3 | 63.5 | 0 | 0 | 0 | 112 | G339 D340 M346 N347 | G339-L343 VanDerWaalsContact O-CB 3.31Å; G339-L343 WeakPolarHBondContact O-CB 3.28Å; G339-L343 PolarHBondContact O-N 3.01Å; D340-L343 PolarHBondContact O-N 3.03Å; L343-M346 PolarHBondContact O-N 3.11Å; L343-N347 WeakPolarHBondContact O-CB 3.45Å; L343-N347 VanDerWaalsContact O-CG 3.24Å; L343-N347 PolarHBondContact O-N 3.09Å; L343-N347 PolarHBondContact O-ND2 3.4Å |
| 344 | K | 87.8 | Confident | 88.2 | Confident | 64 Ų | 64 | 65.8 Ų | 65.8 | 28% | 0.278 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 175.3 | -74.7 | 170.6 | -178.3 | 172.7 | 0 | 112 | D340 N341 I342 T348 L379 S380 | D340-K344 WeakPolarHBondContact O-CB 3.47Å; D340-K344 VanDerWaalsContact O-CG 3.28Å; D340-K344 WeakPolarHBondContact O-CG 3.48Å; D340-K344 PolarHBondContact O-N 3.41Å; N341-K344 PolarHBondContact O-N 2.78Å; I342-K344 PolarHBondContact O-N 3.24Å; K344-T348 WeakPolarHBondContact O-CB 3.42Å; K344-T348 PolarHBondContact O-N 3.48Å; K344-T348 PolarHBondContact O-OG1 3.32Å; K344-L379 HydrophobicContact CB-CD2 3.95Å; K344-S380 PolarHBondContact NZ-O 2.67Å |
| 345 | L | 87.5 | Confident | 87.8 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65 | -45.5 | 177.3 | -71.3 | 174.7 | 0 | 0 | 0 | 111.5 | N341 I342 N347 T348 F349 I356 Y361 L365 L368 I376 L379 L381 | N341-L345 WeakPolarHBondContact O-CG 3.42Å; N341-L345 PolarHBondContact O-N 3.08Å; I342-L345 PolarHBondContact O-N 3.1Å; L345-N347 PolarHBondContact O-N 2.95Å; L345-T348 PolarHBondContact O-N 3.14Å; L345-F349 HydrophobicContact CD2-CD2 4.42Å; L345-F349 HydrophobicContact CD2-CE2 4.15Å; L345-F349 WeakPolarHBondContact O-CD2 3.49Å; L345-F349 PolarHBondContact O-N 3.39Å; L345-I356 HydrophobicContact CB-CD1 4.06Å; L345-Y361 HydrophobicContact CD1-CD2 4.22Å; L345-Y361 HydrophobicContact CD1-CE2 3.57Å; L345-L365 HydrophobicContact CD1-CD1 4.3Å; L345-L368 HydrophobicContact CD2-CD1 4.3Å; L345-I376 HydrophobicContact CD2-CD1 3.76Å; L345-L379 HydrophobicContact CD2-CD1 4.23Å; L345-L381 HydrophobicContact CD2-CD1 4.38Å; L345-L381 HydrophobicContact CD2-CD2 4.37Å; L345-L381 HydrophobicContact CG-CD2 4.23Å |
| 346 | M | 87.9 | Confident | 87.5 | Confident | 20 Ų | 20 | 65.2 Ų | 65.2 | 10% | 0.099 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62 | -44.7 | 180 | -71.6 | 178.9 | 66.8 | 0 | 0 | 112.1 | I342 L343 T348 N350 Y351 P352 I356 | I342-M346 HydrophobicContact CG2-CG 4.16Å; I342-M346 HydrophobicContact CG2-SD 3.52Å; I342-M346 VanDerWaalsContact CG2-SD 3.52Å; I342-M346 WeakPolarHBondContact O-CB 3.43Å; I342-M346 WeakPolarHBondContact O-CG 3.3Å; I342-M346 PolarHBondContact O-N 3.37Å; L343-M346 PolarHBondContact O-N 3.11Å; M346-T348 VanDerWaalsContact C-N 3.34Å; M346-T348 PolarHBondContact O-N 3.28Å; M346-N350 CarbonylContact O-C 3.59Å; M346-N350 WeakPolarHBondContact O-CA 3.47Å; M346-N350 PolarHBondContact O-N 2.8Å; M346-Y351 PolarHBondContact O-N 3.29Å; M346-Y351 VanDerWaalsContact O-N 3.09Å; M346-P352 WeakPolarHBondContact CE-O 3.46Å; M346-I356 HydrophobicContact CG-CB 4.25Å; M346-I356 HydrophobicContact CG-CD1 3.87Å; M346-I356 HydrophobicContact CG-CG1 4.12Å; M346-I356 HydrophobicContact SD-CB 4.4Å |
| 347 | N | 88.9 | Confident | 87.3 | Confident | 107 Ų | 107 | 62.6 Ų | 62.6 | 57% | 0.572 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -66.7 | -35.5 | 177.9 | -72 | -24.3 | 0 | 0 | 0 | 112.4 | L343 L345 | L343-N347 WeakPolarHBondContact O-CB 3.45Å; L343-N347 VanDerWaalsContact O-CG 3.24Å; L343-N347 PolarHBondContact O-N 3.09Å; L343-N347 PolarHBondContact O-ND2 3.4Å; L345-N347 PolarHBondContact O-N 2.95Å |
| 348 | T | 88.1 | Confident | 86.8 | Confident | 64 Ų | 64 | 66.7 Ų | 66.7 | 39% | 0.393 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -76.6 | -39.9 | -178 | -54.2 | 0 | 0 | 0 | 0 | 112.1 | K344 L345 M346 V375 L379 | K344-T348 WeakPolarHBondContact O-CB 3.42Å; K344-T348 PolarHBondContact O-N 3.48Å; K344-T348 PolarHBondContact O-OG1 3.32Å; L345-T348 PolarHBondContact O-N 3.14Å; M346-T348 VanDerWaalsContact C-N 3.34Å; M346-T348 PolarHBondContact O-N 3.28Å; T348-V375 HydrophobicContact CG2-CG1 3.69Å; T348-L379 HydrophobicContact CG2-CD1 4.04Å |
| 349 | F | 87.8 | Confident | 86.6 | Confident | 52 Ų | 52 | 71.2 Ų | 71.2 | 23% | 0.228 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -97.7 | 3.4 | -178.8 | -67.5 | -81.2 | 0 | 0 | 0 | 113.7 | L345 Y351 L368 V375 I376 L379 | L345-F349 HydrophobicContact CD2-CD2 4.42Å; L345-F349 HydrophobicContact CD2-CE2 4.15Å; L345-F349 WeakPolarHBondContact O-CD2 3.49Å; L345-F349 PolarHBondContact O-N 3.39Å; F349-Y351 VanDerWaalsContact C-N 3.29Å; F349-Y351 HydrophobicContact CB-CD2 3.65Å; F349-Y351 HydrophobicContact CB-CE2 3.6Å; F349-Y351 HydrophobicContact CG-CE2 4.34Å; F349-Y351 PolarHBondContact O-N 3.49Å; F349-L368 HydrophobicContact CD1-CD2 3.87Å; F349-L368 HydrophobicContact CD2-CD1 3.89Å; F349-L368 HydrophobicContact CD2-CD2 4.26Å; F349-L368 HydrophobicContact CE1-CD2 3.88Å; F349-L368 HydrophobicContact CE2-CD1 3.95Å; F349-L368 HydrophobicContact CE2-CD2 4.28Å; F349-L368 HydrophobicContact CE2-CG 4.5Å; F349-L368 HydrophobicContact CG-CD1 4.4Å; F349-L368 HydrophobicContact CG-CD2 4.06Å; F349-L368 HydrophobicContact CZ-CB 4.41Å; F349-L368 HydrophobicContact CZ-CD1 4.49Å; F349-L368 HydrophobicContact CZ-CD2 4.09Å; F349-V375 HydrophobicContact CE1-CG1 4.49Å; F349-V375 HydrophobicContact CE2-CG1 4.46Å; F349-V375 HydrophobicContact CZ-CB 4.31Å; F349-V375 HydrophobicContact CZ-CG1 3.94Å; F349-I376 HydrophobicContact CE2-CD1 3.73Å; F349-I376 HydrophobicContact CZ-CD1 3.94Å; F349-I376 HydrophobicContact CZ-CG1 4.37Å; F349-L379 HydrophobicContact CE2-CD1 4.19Å |
| 350 | N | 87.3 | Confident | 86.5 | Confident | 142 Ų | 142 | 71.5 Ų | 71.5 | 76% | 0.759 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 40.6 | -178.5 | -62.5 | -60.3 | 0 | 0 | 0 | 114 | M346 | M346-N350 CarbonylContact O-C 3.59Å; M346-N350 WeakPolarHBondContact O-CA 3.47Å; M346-N350 PolarHBondContact O-N 2.8Å |
| 351 | Y | 87.1 | Confident | 86.4 | Confident | 77 Ų | 77 | 68.1 Ų | 68.1 | 30% | 0.302 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -74 | 144.5 | 172.9 | -77.8 | -67.7 | 0 | 0 | 0 | 111 | M346 F349 N355 I356 L368 | M346-Y351 PolarHBondContact O-N 3.29Å; M346-Y351 VanDerWaalsContact O-N 3.09Å; F349-Y351 VanDerWaalsContact C-N 3.29Å; F349-Y351 HydrophobicContact CB-CD2 3.65Å; F349-Y351 HydrophobicContact CB-CE2 3.6Å; F349-Y351 HydrophobicContact CG-CE2 4.34Å; F349-Y351 PolarHBondContact O-N 3.49Å; Y351-N355 WeakPolarHBondContact CD1-ND2 3.44Å; Y351-I356 HydrophobicContact CD2-CD1 3.89Å; Y351-I356 HydrophobicContact CD2-CG1 4.45Å; Y351-I356 HydrophobicContact CE2-CD1 4.4Å; Y351-I356 HydrophobicContact CG-CD1 4.49Å; Y351-L368 HydrophobicContact CE2-CD1 4.34Å; Y351-L368 HydrophobicContact CE2-CD2 4.23Å |
| 352 | P | 86.2 | Confident | 86.2 | Confident | 87 Ų | 87 | 73.1 Ų | 73.1 | 57% | 0.565 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 153.6 | 174.1 | 25.6 | -29.9 | 0 | 0 | 0 | 111.8 | M346 N355 | M346-P352 WeakPolarHBondContact CE-O 3.46Å; P352-N355 HydrophobicContact CG-CB 4.12Å; P352-N355 VanDerWaalsContact O-CB 3.26Å; P352-N355 WeakPolarHBondContact O-CB 3.29Å; P352-N355 PolarHBondContact O-N 3.25Å |
| 353 | E | 81.9 | Confident | 86.2 | Confident | 173 Ų | 173 | 79.3 Ų | 79.3 | 81% | 0.808 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.8 | 137.1 | 175.1 | -70.6 | -177.8 | -171.9 | 0 | 0 | 111.8 | N355 | E353-N355 VanDerWaalsContact C-N 3.27Å; E353-N355 PolarHBondContact O-N 2.87Å |
| 354 | N | 78.7 | Confident | 86 | Confident | 140 Ų | 140 | 76.5 Ų | 76.5 | 75% | 0.749 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67 | 8.1 | -177.9 | -54.7 | -39.7 | 0 | 0 | 0 | 117.2 | ||
| 355 | N | 84.2 | Confident | 86 | Confident | 74 Ų | 74 | 75.3 Ų | 75.3 | 40% | 0.396 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -75.6 | -35.1 | 174.5 | -161.9 | 41.9 | 0 | 0 | 0 | 112.6 | Y351 P352 E353 N360 | Y351-N355 WeakPolarHBondContact CD1-ND2 3.44Å; P352-N355 HydrophobicContact CG-CB 4.12Å; P352-N355 VanDerWaalsContact O-CB 3.26Å; P352-N355 WeakPolarHBondContact O-CB 3.29Å; P352-N355 PolarHBondContact O-N 3.25Å; E353-N355 VanDerWaalsContact C-N 3.27Å; E353-N355 PolarHBondContact O-N 2.87Å; N355-N360 PolarHBondContact O-ND2 3.3Å |
| 356 | I | 84.1 | Confident | 86.1 | Confident | 6 Ų | 6 | 79 Ų | 79 | 3% | 0.031 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -100.9 | 126.4 | 170 | -51.6 | -177.3 | 0 | 0 | 0 | 107.5 | I342 L345 M346 Y351 Y361 I364 | I342-I356 HydrophobicContact CG1-CG2 3.97Å; I342-I356 HydrophobicContact CG2-CB 4.03Å; I342-I356 HydrophobicContact CG2-CG2 4.04Å; L345-I356 HydrophobicContact CB-CD1 4.06Å; M346-I356 HydrophobicContact CG-CB 4.25Å; M346-I356 HydrophobicContact CG-CD1 3.87Å; M346-I356 HydrophobicContact CG-CG1 4.12Å; M346-I356 HydrophobicContact SD-CB 4.4Å; Y351-I356 HydrophobicContact CD2-CD1 3.89Å; Y351-I356 HydrophobicContact CD2-CG1 4.45Å; Y351-I356 HydrophobicContact CE2-CD1 4.4Å; Y351-I356 HydrophobicContact CG-CD1 4.49Å; I356-Y361 HydrophobicContact CG2-CD2 4.3Å; I356-I364 HydrophobicContact CB-CD1 4.45Å; I356-I364 HydrophobicContact CD1-CG2 4.05Å; I356-I364 HydrophobicContact CG1-CD1 3.98Å; I356-I364 HydrophobicContact CG1-CG2 4.33Å; I356-I364 HydrophobicContact CG2-CD1 4.4Å |
| 357 | T | 85.4 | Confident | 86.2 | Confident | 52 Ų | 52 | 83.5 Ų | 83.5 | 32% | 0.319 | 44% | 0.441 | S | S | . | . | trans | -129.5 | 164.4 | -178.9 | 60.3 | 0 | 0 | 0 | 0 | 108.6 | S359 N360 Y361 | T357-S359 PolarHBondContact O-N 3.46Å; T357-S359 VanDerWaalsContact O-N 3.15Å; T357-S359 PolarHBondContact OG1-OG 2.96Å; T357-S359 VanDerWaalsContact OG1-OG 3.08Å; T357-N360 WeakPolarHBondContact CA-OD1 3.41Å; T357-N360 PolarHBondContact N-OD1 3.04Å; T357-N360 PolarHBondContact O-N 3.48Å; T357-N360 PolarHBondContact O-OD1 3.38Å; T357-N360 VanDerWaalsContact OG1-CG 3.31Å; T357-N360 PolarHBondContact OG1-OD1 3.48Å; T357-Y361 PolarHBondContact O-N 3.25Å; T357-Y361 VanDerWaalsContact O-N 3.08Å | ||
| 358 | Q | 81.2 | Confident | 86.1 | Confident | 95 Ų | 95 | 78.7 Ų | 78.7 | 44% | 0.444 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -33.3 | 177.2 | -72.5 | 179.8 | -16.5 | 0 | 0 | 112.7 | D335 F338 I342 | D335-Q358 PolarHBondContact OD1-NE2 3.29Å; F338-Q358 HydrophobicContact CB-CG 4.48Å; I342-Q358 HydrophobicContact CD1-CG 4.42Å |
| 359 | S | 84.9 | Confident | 86.1 | Confident | 112 Ų | 112 | 79.5 Ų | 79.5 | 78% | 0.783 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -27.8 | -177.5 | 48.1 | 0 | 0 | 0 | 0 | 115.2 | T357 | T357-S359 PolarHBondContact O-N 3.46Å; T357-S359 VanDerWaalsContact O-N 3.15Å; T357-S359 PolarHBondContact OG1-OG 2.96Å; T357-S359 VanDerWaalsContact OG1-OG 3.08Å |
| 360 | N | 89.4 | Confident | 86.2 | Confident | 42 Ų | 42 | 84.4 Ų | 84.4 | 23% | 0.225 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | 4.2 | -178.5 | 68.3 | -1.1 | 0 | 0 | 0 | 112.6 | N355 T357 E363 I364 | N355-N360 PolarHBondContact O-ND2 3.3Å; T357-N360 WeakPolarHBondContact CA-OD1 3.41Å; T357-N360 PolarHBondContact N-OD1 3.04Å; T357-N360 PolarHBondContact O-N 3.48Å; T357-N360 PolarHBondContact O-OD1 3.38Å; T357-N360 VanDerWaalsContact OG1-CG 3.31Å; T357-N360 PolarHBondContact OG1-OD1 3.48Å; N360-E363 PolarHBondContact O-N 3.1Å; N360-I364 HydrophobicContact CB-CD1 4.16Å; N360-I364 WeakPolarHBondContact O-CB 3.38Å; N360-I364 VanDerWaalsContact O-CG1 3.26Å; N360-I364 WeakPolarHBondContact O-CG1 3.45Å; N360-I364 PolarHBondContact O-N 3.29Å |
| 361 | Y | 86.6 | Confident | 86.3 | Confident | 12 Ų | 12 | 81.8 Ų | 81.8 | 5% | 0.047 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -57.9 | -51 | -177 | 176 | -95.8 | 0 | 0 | 0 | 112.3 | F338 N341 I342 L345 I356 T357 E363 I364 L365 | F338-Y361 HydrophobicContact CD1-CD1 4.18Å; F338-Y361 HydrophobicContact CD1-CE1 4.44Å; F338-Y361 HydrophobicContact CD1-CG 4.26Å; F338-Y361 AromaticContact CE1-CD1 3.57Å; F338-Y361 HydrophobicContact CE1-CD1 3.57Å; F338-Y361 AromaticContact CE1-CE1 3.87Å; F338-Y361 HydrophobicContact CE1-CE1 3.87Å; F338-Y361 HydrophobicContact CE1-CG 4.06Å; N341-Y361 HydrophobicContact CB-CE2 4.05Å; N341-Y361 PolarHBondContact ND2-OH 2.85Å; I342-Y361 HydrophobicContact CD1-CD2 4.44Å; I342-Y361 HydrophobicContact CG1-CD2 3.68Å; I342-Y361 HydrophobicContact CG1-CE2 4.14Å; L345-Y361 HydrophobicContact CD1-CD2 4.22Å; L345-Y361 HydrophobicContact CD1-CE2 3.57Å; I356-Y361 HydrophobicContact CG2-CD2 4.3Å; T357-Y361 PolarHBondContact O-N 3.25Å; T357-Y361 VanDerWaalsContact O-N 3.08Å; Y361-E363 PolarHBondContact O-N 3.25Å; Y361-I364 PolarHBondContact O-N 3.45Å; Y361-L365 HydrophobicContact CE1-CD2 3.82Å; Y361-L365 WeakPolarHBondContact O-CB 3.44Å; Y361-L365 PolarHBondContact O-N 2.8Å |
| 362 | D | 86.8 | Confident | 86.3 | Confident | 106 Ų | 106 | 80 Ų | 80 | 57% | 0.567 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -65.5 | -39 | -175.9 | -66.4 | -36.6 | 0 | 0 | 0 | 112.5 | T366 | D362-T366 WeakPolarHBondContact O-CB 3.4Å; D362-T366 PolarHBondContact O-N 3.44Å; D362-T366 PolarHBondContact O-OG1 3.22Å |
| 363 | E | 88.5 | Confident | 86.3 | Confident | 150 Ų | 150 | 78.5 Ų | 78.5 | 70% | 0.701 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -65.4 | -46.7 | 177 | -64.8 | -176.2 | 171.8 | 0 | 0 | 111.1 | N360 Y361 T366 H367 | N360-E363 PolarHBondContact O-N 3.1Å; Y361-E363 PolarHBondContact O-N 3.25Å; E363-T366 PolarHBondContact O-N 3.03Å; E363-H367 WeakPolarHBondContact O-CB 3.33Å; E363-H367 PolarHBondContact O-N 3.31Å |
| 364 | I | 86.3 | Confident | 86.3 | Confident | 31 Ų | 31 | 76.6 Ų | 76.6 | 16% | 0.159 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -67.1 | -42 | 178.7 | -68.5 | 175.2 | 0 | 0 | 0 | 110.7 | I356 N360 Y361 T366 H367 L368 | I356-I364 HydrophobicContact CB-CD1 4.45Å; I356-I364 HydrophobicContact CD1-CG2 4.05Å; I356-I364 HydrophobicContact CG1-CD1 3.98Å; I356-I364 HydrophobicContact CG1-CG2 4.33Å; I356-I364 HydrophobicContact CG2-CD1 4.4Å; N360-I364 HydrophobicContact CB-CD1 4.16Å; N360-I364 WeakPolarHBondContact O-CB 3.38Å; N360-I364 VanDerWaalsContact O-CG1 3.26Å; N360-I364 WeakPolarHBondContact O-CG1 3.45Å; N360-I364 PolarHBondContact O-N 3.29Å; Y361-I364 PolarHBondContact O-N 3.45Å; I364-T366 VanDerWaalsContact C-N 3.31Å; I364-T366 PolarHBondContact O-N 3.04Å; I364-H367 PolarHBondContact O-N 3.29Å; I364-L368 HydrophobicContact CG2-CD1 3.68Å; I364-L368 HydrophobicContact CG2-CG 4.08Å; I364-L368 WeakPolarHBondContact O-CB 3.32Å; I364-L368 VanDerWaalsContact O-CG 3.27Å; I364-L368 WeakPolarHBondContact O-CG 3.48Å; I364-L368 PolarHBondContact O-N 3.38Å |
| 365 | L | 87.6 | Confident | 86.6 | Confident | 40 Ų | 40 | 73 Ų | 73 | 21% | 0.209 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 177 | -178.3 | 64.3 | 0 | 0 | 0 | 110.6 | L345 Y361 L368 N369 I376 L381 | L345-L365 HydrophobicContact CD1-CD1 4.3Å; Y361-L365 HydrophobicContact CE1-CD2 3.82Å; Y361-L365 WeakPolarHBondContact O-CB 3.44Å; Y361-L365 PolarHBondContact O-N 2.8Å; L365-L368 PolarHBondContact O-N 3.48Å; L365-N369 VanDerWaalsContact O-CB 3.24Å; L365-N369 WeakPolarHBondContact O-CB 3.47Å; L365-N369 PolarHBondContact O-N 3.48Å; L365-I376 HydrophobicContact CD1-CD1 4.48Å; L365-L381 HydrophobicContact CD1-CD1 3.65Å |
| 366 | T | 88.9 | Confident | 86.6 | Confident | 78 Ų | 78 | 70.4 Ų | 70.4 | 48% | 0.479 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62 | -44.8 | 175.7 | -55.7 | 0 | 0 | 0 | 0 | 111.1 | D362 E363 I364 N369 H370 | D362-T366 WeakPolarHBondContact O-CB 3.4Å; D362-T366 PolarHBondContact O-N 3.44Å; D362-T366 PolarHBondContact O-OG1 3.22Å; E363-T366 PolarHBondContact O-N 3.03Å; I364-T366 VanDerWaalsContact C-N 3.31Å; I364-T366 PolarHBondContact O-N 3.04Å; T366-N369 PolarHBondContact O-N 2.7Å; T366-H370 PolarHBondContact O-CD2 3.01Å; T366-H370 PolarHBondContact O-N 3.17Å |
| 367 | H | 89.3 | Confident | 86.4 | Confident | 113 Ų | 113 | 78 Ų | 78 | 52% | 0.523 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.9 | -45.4 | 176.7 | 178 | -84.2 | 0 | 0 | 0 | 112.6 | E363 I364 H370 T371 | E363-H367 WeakPolarHBondContact O-CB 3.33Å; E363-H367 PolarHBondContact O-N 3.31Å; I364-H367 PolarHBondContact O-N 3.29Å; H367-H370 PolarHBondContact O-N 3.48Å; H367-T371 PolarHBondContact CE1-OG1 3.46Å; H367-T371 WeakPolarHBondContact O-CB 3.47Å; H367-T371 PolarHBondContact O-N 3.22Å; H367-T371 PolarHBondContact O-OG1 3.25Å |
| 368 | L | 87.1 | Confident | 86.2 | Confident | 6 Ų | 6 | 78.7 Ų | 78.7 | 3% | 0.031 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -67.6 | -37.5 | 178.7 | -69.5 | 173.5 | 0 | 0 | 0 | 111.9 | L345 F349 Y351 I364 L365 H370 T371 S372 I376 | L345-L368 HydrophobicContact CD2-CD1 4.3Å; F349-L368 HydrophobicContact CD1-CD2 3.87Å; F349-L368 HydrophobicContact CD2-CD1 3.89Å; F349-L368 HydrophobicContact CD2-CD2 4.26Å; F349-L368 HydrophobicContact CE1-CD2 3.88Å; F349-L368 HydrophobicContact CE2-CD1 3.95Å; F349-L368 HydrophobicContact CE2-CD2 4.28Å; F349-L368 HydrophobicContact CE2-CG 4.5Å; F349-L368 HydrophobicContact CG-CD1 4.4Å; F349-L368 HydrophobicContact CG-CD2 4.06Å; F349-L368 HydrophobicContact CZ-CB 4.41Å; F349-L368 HydrophobicContact CZ-CD1 4.49Å; F349-L368 HydrophobicContact CZ-CD2 4.09Å; Y351-L368 HydrophobicContact CE2-CD1 4.34Å; Y351-L368 HydrophobicContact CE2-CD2 4.23Å; I364-L368 HydrophobicContact CG2-CD1 3.68Å; I364-L368 HydrophobicContact CG2-CG 4.08Å; I364-L368 WeakPolarHBondContact O-CB 3.32Å; I364-L368 VanDerWaalsContact O-CG 3.27Å; I364-L368 WeakPolarHBondContact O-CG 3.48Å; I364-L368 PolarHBondContact O-N 3.38Å; L365-L368 PolarHBondContact O-N 3.48Å; L368-H370 VanDerWaalsContact C-N 3.31Å; L368-H370 PolarHBondContact O-N 3.03Å; L368-T371 PolarHBondContact O-N 2.91Å; L368-S372 CarbonylContact O-C 3.55Å; L368-S372 PolarHBondContact O-N 3.4Å; L368-I376 HydrophobicContact CB-CD1 4.05Å; L368-I376 HydrophobicContact CB-CG1 4.39Å |
| 369 | N | 89.3 | Confident | 86.3 | Confident | 81 Ų | 81 | 75.5 Ų | 75.5 | 43% | 0.433 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.6 | -38 | 174.9 | -166.6 | 17.8 | 0 | 0 | 0 | 111.6 | L365 T366 P373 | L365-N369 VanDerWaalsContact O-CB 3.24Å; L365-N369 WeakPolarHBondContact O-CB 3.47Å; L365-N369 PolarHBondContact O-N 3.48Å; T366-N369 PolarHBondContact O-N 2.7Å; N369-P373 WeakPolarHBondContact O-CA 3.05Å; N369-P373 WeakPolarHBondContact O-CB 3.49Å; N369-P373 WeakPolarHBondContact O-CD 3.48Å |
| 370 | H | 89.1 | Confident | 86.1 | Confident | 156 Ų | 156 | 74.7 Ų | 74.7 | 72% | 0.722 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -69.4 | -35.7 | 172.5 | -80.6 | -63.7 | 0 | 0 | 0 | 113.5 | T366 H367 L368 | T366-H370 PolarHBondContact O-CD2 3.01Å; T366-H370 PolarHBondContact O-N 3.17Å; H367-H370 PolarHBondContact O-N 3.48Å; L368-H370 VanDerWaalsContact C-N 3.31Å; L368-H370 PolarHBondContact O-N 3.03Å |
| 371 | T | 89.3 | Confident | 85.9 | Confident | 86 Ų | 86 | 75 Ų | 75 | 53% | 0.528 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -83.5 | -34.9 | -174.1 | -50 | 0 | 0 | 0 | 0 | 112.6 | H367 L368 | H367-T371 PolarHBondContact CE1-OG1 3.46Å; H367-T371 WeakPolarHBondContact O-CB 3.47Å; H367-T371 PolarHBondContact O-N 3.22Å; H367-T371 PolarHBondContact O-OG1 3.25Å; L368-T371 PolarHBondContact O-N 2.91Å |
| 372 | S | 86.6 | Confident | 85.8 | Confident | 41 Ų | 41 | 79.2 Ų | 79.2 | 29% | 0.287 | 44% | 0.438 | S | S | . | . | trans | -150.2 | 69.7 | -173.9 | -63 | 0 | 0 | 0 | 0 | 111.4 | L368 D374 V375 I376 | L368-S372 CarbonylContact O-C 3.55Å; L368-S372 PolarHBondContact O-N 3.4Å; S372-D374 VanDerWaalsContact C-N 3.32Å; S372-D374 PolarHBondContact O-N 3.33Å; S372-V375 PolarHBondContact O-N 3.12Å; S372-I376 PolarHBondContact O-N 2.77Å | ||
| 373 | P | 86.2 | Confident | 85.7 | Confident | 55 Ų | 55 | 81.3 Ų | 81.3 | 36% | 0.357 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.8 | -36.7 | -175.4 | 24 | -33.3 | 0 | 0 | 0 | 112.9 | N369 V375 I376 Q377 | N369-P373 WeakPolarHBondContact O-CA 3.05Å; N369-P373 WeakPolarHBondContact O-CB 3.49Å; N369-P373 WeakPolarHBondContact O-CD 3.48Å; P373-V375 VanDerWaalsContact C-N 3.31Å; P373-V375 PolarHBondContact O-N 2.82Å; P373-I376 PolarHBondContact O-N 3.19Å; P373-Q377 PolarHBondContact O-N 3.41Å |
| 374 | D | 83.5 | Confident | 85.7 | Confident | 133 Ų | 133 | 74.8 Ų | 74.8 | 71% | 0.711 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -65 | -35 | -177.7 | -58.5 | -34.7 | 0 | 0 | 0 | 112.4 | S372 G378 | S372-D374 VanDerWaalsContact C-N 3.32Å; S372-D374 PolarHBondContact O-N 3.33Å; D374-G378 PolarHBondContact O-N 3.42Å |
| 375 | V | 84.4 | Confident | 85.7 | Confident | 65 Ų | 65 | 76.3 Ų | 76.3 | 39% | 0.394 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -73.5 | -40.9 | 178.4 | -178.6 | 0 | 0 | 0 | 0 | 110.3 | T348 F349 S372 P373 G378 L379 | T348-V375 HydrophobicContact CG2-CG1 3.69Å; F349-V375 HydrophobicContact CE1-CG1 4.49Å; F349-V375 HydrophobicContact CE2-CG1 4.46Å; F349-V375 HydrophobicContact CZ-CB 4.31Å; F349-V375 HydrophobicContact CZ-CG1 3.94Å; S372-V375 PolarHBondContact O-N 3.12Å; P373-V375 VanDerWaalsContact C-N 3.31Å; P373-V375 PolarHBondContact O-N 2.82Å; V375-G378 PolarHBondContact O-N 3.13Å; V375-L379 HydrophobicContact CG1-CD1 4.21Å; V375-L379 WeakPolarHBondContact O-CD1 3.09Å; V375-L379 PolarHBondContact O-N 2.91Å |
| 376 | I | 83.4 | Confident | 85.7 | Confident | 18 Ų | 18 | 76.3 Ų | 76.3 | 9% | 0.092 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -66.4 | -38.9 | 177.3 | -64.6 | -66.1 | 0 | 0 | 0 | 111.4 | L345 F349 L365 L368 S372 P373 G378 L379 | L345-I376 HydrophobicContact CD2-CD1 3.76Å; F349-I376 HydrophobicContact CE2-CD1 3.73Å; F349-I376 HydrophobicContact CZ-CD1 3.94Å; F349-I376 HydrophobicContact CZ-CG1 4.37Å; L365-I376 HydrophobicContact CD1-CD1 4.48Å; L368-I376 HydrophobicContact CB-CD1 4.05Å; L368-I376 HydrophobicContact CB-CG1 4.39Å; S372-I376 PolarHBondContact O-N 2.77Å; P373-I376 PolarHBondContact O-N 3.19Å; I376-G378 VanDerWaalsContact C-N 3.26Å; I376-G378 PolarHBondContact O-N 3.48Å; I376-L379 HydrophobicContact CD1-CD1 4.06Å; I376-L379 WeakPolarHBondContact O-CB 3.47Å; I376-L379 PolarHBondContact O-N 3.25Å; I376-L379 VanDerWaalsContact O-N 3.11Å |
| 377 | Q | 79.8 | Confident | 85.5 | Confident | 165 Ų | 165 | 77.6 Ų | 77.6 | 77% | 0.771 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -65.9 | -28.6 | 173.7 | -80.4 | -176.1 | -8.9 | 0 | 0 | 113.1 | P373 L379 | P373-Q377 PolarHBondContact O-N 3.41Å; Q377-L379 VanDerWaalsContact C-N 3.31Å |
| 378 | G | 82.1 | Confident | 85.4 | Confident | 68 Ų | 68 | 75.2 Ų | 75.2 | 70% | 0.701 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -76.3 | -15.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | D374 V375 I376 | D374-G378 PolarHBondContact O-N 3.42Å; V375-G378 PolarHBondContact O-N 3.13Å; I376-G378 VanDerWaalsContact C-N 3.26Å; I376-G378 PolarHBondContact O-N 3.48Å |
| 379 | L | 82.6 | Confident | 85.3 | Confident | 28 Ų | 28 | 76.4 Ų | 76.4 | 15% | 0.147 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -86.1 | 116.7 | 175.9 | -85.4 | 146.3 | 0 | 0 | 0 | 109.9 | K344 L345 T348 F349 V375 I376 Q377 L381 | K344-L379 HydrophobicContact CB-CD2 3.95Å; L345-L379 HydrophobicContact CD2-CD1 4.23Å; T348-L379 HydrophobicContact CG2-CD1 4.04Å; F349-L379 HydrophobicContact CE2-CD1 4.19Å; V375-L379 HydrophobicContact CG1-CD1 4.21Å; V375-L379 WeakPolarHBondContact O-CD1 3.09Å; V375-L379 PolarHBondContact O-N 2.91Å; I376-L379 HydrophobicContact CD1-CD1 4.06Å; I376-L379 WeakPolarHBondContact O-CB 3.47Å; I376-L379 PolarHBondContact O-N 3.25Å; I376-L379 VanDerWaalsContact O-N 3.11Å; Q377-L379 VanDerWaalsContact C-N 3.31Å; L379-L381 HydrophobicContact CB-CG 4.22Å; L379-L381 PolarHBondContact O-N 3.3Å |
| 380 | S | 81.4 | Confident | 85.2 | Confident | 95 Ų | 95 | 72.9 Ų | 72.9 | 66% | 0.664 | 41% | 0.408 | S | S | * | . | trans | -74.8 | 71.6 | 171.2 | 53 | 0 | 0 | 0 | 0 | 111.3 | K344 | K344-S380 PolarHBondContact NZ-O 2.67Š| ||
| 381 | L | 84.4 | Confident | 84.8 | Confident | 48 Ų | 48 | 68.4 Ų | 68.4 | 25% | 0.251 | 39% | 0.394 | S | S | . | . | trans | -71.5 | 135.7 | 172.2 | -62.1 | 177.8 | 0 | 0 | 0 | 110 | N341 L345 L365 L379 | N341-L381 HydrophobicContact CB-CD2 4.18Å; L345-L381 HydrophobicContact CD2-CD1 4.38Å; L345-L381 HydrophobicContact CD2-CD2 4.37Å; L345-L381 HydrophobicContact CG-CD2 4.23Å; L365-L381 HydrophobicContact CD1-CD1 3.65Å; L379-L381 HydrophobicContact CB-CG 4.22Å; L379-L381 PolarHBondContact O-N 3.3Å | ||
| 382 | Q | 84.6 | Confident | 84.1 | Confident | 101 Ų | 101 | 68.7 Ų | 68.7 | 47% | 0.472 | 39% | 0.389 | S | S | . | . | trans | -85.6 | 144.3 | 177.9 | -68.2 | 180 | -12.4 | 0 | 0 | 110.5 | N341 C384 | N341-Q382 PolarHBondContact ND2-O 3.39Å; N341-Q382 PolarHBondContact OD1-N 3.06Å; Q382-C384 PolarHBondContact O-N 2.88Å | ||
| 383 | N | 85.6 | Confident | 82.9 | Confident | 150 Ų | 150 | 68.2 Ų | 68.2 | 80% | 0.802 | 39% | 0.391 | S | S | * | . | trans | -82.6 | 105.3 | 172.1 | -172.1 | 23.2 | 0 | 0 | 0 | 109.4 | D385 | N383-D385 PolarHBondContact O-N 2.91Š| ||
| 384 | C | 87.4 | Confident | 82 | Confident | 13 Ų | 13 | 67.2 Ų | 67.2 | 9% | 0.088 | 38% | 0.384 | C | S | . | . | trans | -96.2 | 89.8 | -175.8 | -52.1 | 0 | 0 | 0 | 0 | 109.9 | Y334 C337 F338 N341 Q382 | Y334-C384 WeakPolarHBondContact CE2-O 3.38Å; C337-C384 HydrophobicContact CB-CB 3.85Å; C337-C384 WeakPolarHBondContact CB-SG 3.21Å; C337-C384 PolarHBondContact O-SG 3.47Å; C337-C384 VanDerWaalsContact SG-CA 3.55Å; C337-C384 WeakPolarHBondContact SG-CB 3.28Å; C337-C384 CovalentContact SG-SG 2.03Å; C337-C384 PolarHBondContact SG-SG 3.45Å; F338-C384 HydrophobicContact CD2-CB 3.45Å; F338-C384 VanDerWaalsContact CD2-CB 3.45Å; F338-C384 HydrophobicContact CE2-CB 3.3Å; F338-C384 HydrophobicContact CG-CB 4.43Å; F338-C384 HydrophobicContact CZ-CB 4.22Å; N341-C384 PolarHBondContact ND2-SG 3.12Å; N341-C384 VanDerWaalsContact ND2-SG 3.38Å; Q382-C384 PolarHBondContact O-N 2.88Å | ||
| 385 | D | 88.2 | Confident | 81 | Confident | 62 Ų | 62 | 65.6 Ų | 65.6 | 33% | 0.332 | 37% | 0.372 | S | S | . | . | trans | -110 | 126.2 | 177.5 | 171.9 | 43.7 | 0 | 0 | 0 | 111.8 | N383 Q387 T388 F389 | N383-D385 PolarHBondContact O-N 2.91Å; D385-Q387 PolarHBondContact O-N 3.2Å; D385-Q387 PolarHBondContact OD1-N 2.85Å; D385-T388 WeakPolarHBondContact O-CB 3.3Å; D385-T388 PolarHBondContact O-N 2.81Å; D385-T388 WeakPolarHBondContact OD2-CB 3.06Å; D385-T388 PolarHBondContact OD2-N 3.47Å; D385-T388 PolarHBondContact OD2-OG1 3.14Å; D385-F389 WeakPolarHBondContact O-CD2 3.37Å; D385-F389 PolarHBondContact O-N 3.4Å | ||
| 386 | M | 86.6 | Confident | 80.5 | Confident | 41 Ų | 41 | 63.3 Ų | 63.3 | 20% | 0.202 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.1 | -40.1 | -179.2 | -176.3 | 63.9 | 73.1 | 0 | 0 | 111.8 | A330 Y334 T388 F389 L390 | A330-M386 HydrophobicContact CB-SD 4.05Å; Y334-M386 HydrophobicContact CD1-CE 3.86Å; Y334-M386 HydrophobicContact CD2-CB 4.14Å; Y334-M386 HydrophobicContact CD2-CE 3.91Å; Y334-M386 HydrophobicContact CE2-CB 4.33Å; Y334-M386 HydrophobicContact CG-CE 3.51Å; M386-T388 VanDerWaalsContact C-N 3.26Å; M386-T388 PolarHBondContact O-N 2.9Å; M386-F389 PolarHBondContact O-N 3.37Å; M386-F389 VanDerWaalsContact O-N 3.17Å; M386-L390 HydrophobicContact CG-CD1 3.87Å; M386-L390 HydrophobicContact CG-CG 4.31Å; M386-L390 WeakPolarHBondContact O-CB 3.35Å; M386-L390 WeakPolarHBondContact O-CG 3.31Å; M386-L390 PolarHBondContact O-N 2.92Å; M386-L390 HydrophobicContact SD-CD1 4.46Å; M386-L390 HydrophobicContact SD-CG 4.39Å |
| 387 | Q | 85.4 | Confident | 80.3 | Confident | 104 Ų | 104 | 63.4 Ų | 63.4 | 49% | 0.486 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.7 | -37.5 | -177.9 | -174.6 | 68.2 | 1.6 | 0 | 0 | 110.7 | Y254 D385 L390 S391 | Y254-Q387 VanDerWaalsContact CE2-NE2 3.25Å; D385-Q387 PolarHBondContact O-N 3.2Å; D385-Q387 PolarHBondContact OD1-N 2.85Å; Q387-L390 PolarHBondContact O-N 3.35Å; Q387-S391 WeakPolarHBondContact O-CB 3.15Å; Q387-S391 PolarHBondContact O-N 3.26Å; Q387-S391 PolarHBondContact O-OG 2.82Å; Q387-S391 VanDerWaalsContact O-OG 3.12Å |
| 388 | T | 85.8 | Confident | 80.5 | Confident | 63 Ų | 63 | 55.6 Ų | 55.6 | 39% | 0.387 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.8 | -45.1 | 173 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | D385 M386 L390 S391 Q392 | D385-T388 WeakPolarHBondContact O-CB 3.3Å; D385-T388 PolarHBondContact O-N 2.81Å; D385-T388 WeakPolarHBondContact OD2-CB 3.06Å; D385-T388 PolarHBondContact OD2-N 3.47Å; D385-T388 PolarHBondContact OD2-OG1 3.14Å; M386-T388 VanDerWaalsContact C-N 3.26Å; M386-T388 PolarHBondContact O-N 2.9Å; T388-L390 VanDerWaalsContact C-N 3.33Å; T388-L390 PolarHBondContact O-N 3.21Å; T388-S391 PolarHBondContact O-N 3.01Å; T388-S391 PolarHBondContact O-OG 3.48Å; T388-S391 VanDerWaalsContact O-OG 3.09Å; T388-Q392 VanDerWaalsContact O-CG 3.24Å; T388-Q392 WeakPolarHBondContact O-CG 3.31Å; T388-Q392 PolarHBondContact O-N 2.97Å; T388-Q392 VanDerWaalsContact O-N 3.08Å |
| 389 | F | 86.8 | Confident | 80.6 | Confident | 32 Ų | 32 | 52.6 Ų | 52.6 | 14% | 0.14 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.9 | -31.1 | 177.4 | -65.2 | -52.8 | 0 | 0 | 0 | 113.4 | A330 K333 Y334 C337 D385 M386 | A330-F389 HydrophobicContact CB-CB 3.97Å; K333-F389 HydrophobicContact CB-CD1 4.23Å; K333-F389 HydrophobicContact CB-CE1 4.38Å; K333-F389 HydrophobicContact CB-CG 4.33Å; K333-F389 HydrophobicContact CD-CD1 4.49Å; Y334-F389 HydrophobicContact CD2-CD2 4.47Å; C337-F389 HydrophobicContact CB-CE2 4.44Å; C337-F389 HydrophobicContact CB-CZ 4.27Å; D385-F389 WeakPolarHBondContact O-CD2 3.37Å; D385-F389 PolarHBondContact O-N 3.4Å; M386-F389 PolarHBondContact O-N 3.37Å; M386-F389 VanDerWaalsContact O-N 3.17Å |
| 390 | L | 85.3 | Confident | 80.9 | Confident | 7 Ų | 7 | 51.4 Ų | 51.4 | 4% | 0.037 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -74.9 | -27.3 | 174.2 | -73.2 | 171.1 | 0 | 0 | 0 | 113 | Q64 Y254 I326 A330 M386 Q387 T388 | Q64-L390 PolarHBondContact NE2-O 3.18Å; Y254-L390 HydrophobicContact CD2-CB 3.89Å; Y254-L390 HydrophobicContact CD2-CD1 4.21Å; Y254-L390 HydrophobicContact CE2-CB 4.12Å; Y254-L390 HydrophobicContact CG-CB 4.4Å; I326-L390 HydrophobicContact CG2-CD2 4.47Å; A330-L390 HydrophobicContact CB-CD2 3.61Å; A330-L390 HydrophobicContact CB-CG 3.94Å; M386-L390 HydrophobicContact CG-CD1 3.87Å; M386-L390 HydrophobicContact CG-CG 4.31Å; M386-L390 WeakPolarHBondContact O-CB 3.35Å; M386-L390 WeakPolarHBondContact O-CG 3.31Å; M386-L390 PolarHBondContact O-N 2.92Å; M386-L390 HydrophobicContact SD-CD1 4.46Å; M386-L390 HydrophobicContact SD-CG 4.39Å; Q387-L390 PolarHBondContact O-N 3.35Å; T388-L390 VanDerWaalsContact C-N 3.33Å; T388-L390 PolarHBondContact O-N 3.21Å |
| 391 | S | 81.1 | Confident | 81.4 | Confident | 61 Ų | 61 | 46.9 Ų | 46.9 | 43% | 0.427 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -90.1 | -13.1 | 178.9 | 68.8 | 0 | 0 | 0 | 0 | 113.8 | Q387 T388 G393 | Q387-S391 WeakPolarHBondContact O-CB 3.15Å; Q387-S391 PolarHBondContact O-N 3.26Å; Q387-S391 PolarHBondContact O-OG 2.82Å; Q387-S391 VanDerWaalsContact O-OG 3.12Å; T388-S391 PolarHBondContact O-N 3.01Å; T388-S391 PolarHBondContact O-OG 3.48Å; T388-S391 VanDerWaalsContact O-OG 3.09Å; S391-G393 PolarHBondContact O-N 3.43Å |
| 392 | Q | 75.6 | Confident | 81.8 | Confident | 92 Ų | 92 | 44.7 Ų | 44.7 | 43% | 0.43 | 25% | 0.246 | S | C | . | . | trans | -69 | 69.9 | 171.3 | -78.6 | 173.1 | 10.6 | 0 | 0 | 111.5 | T388 | T388-Q392 VanDerWaalsContact O-CG 3.24Å; T388-Q392 WeakPolarHBondContact O-CG 3.31Å; T388-Q392 PolarHBondContact O-N 2.97Å; T388-Q392 VanDerWaalsContact O-N 3.08Å | ||
| 393 | G | 61.7 | Low | 82 | Confident | 31 Ų | 31 | 40 Ų | 40 | 32% | 0.32 | 22% | 0.224 | S | C | . | . | trans | -76.1 | 145.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | S391 | S391-G393 PolarHBondContact O-N 3.43Š| ||
| 394 | V | 65.8 | Low | 82.3 | Confident | 35 Ų | 35 | 33 Ų | 33 | 21% | 0.212 | 19% | 0.187 | C | C | . | . | trans | -109.1 | 126 | 168.9 | -166 | 0 | 0 | 0 | 0 | 107.9 | I402 V403 | V394-I402 HydrophobicContact CG1-CD1 4.46Å; V394-V403 HydrophobicContact CB-CG2 4.17Å; V394-V403 HydrophobicContact CG2-CG2 3.61Å | ||
| 395 | E | 64.2 | Low | 82.6 | Confident | 98 Ų | 98 | 32.4 Ų | 32.4 | 46% | 0.458 | 18% | 0.183 | S | C | . | . | trans | -63.9 | 142 | -179.2 | -175.7 | 162.6 | -142.4 | 0 | 0 | 112.1 | Y61 T397 G398 | Y61-E395 HydrophobicContact CD1-CG 4.31Å; Y61-E395 HydrophobicContact CD2-CB 4.43Å; Y61-E395 HydrophobicContact CE1-CB 4.07Å; Y61-E395 HydrophobicContact CE1-CG 3.56Å; Y61-E395 VanDerWaalsContact CE2-CA 3.47Å; Y61-E395 HydrophobicContact CE2-CB 3.72Å; Y61-E395 HydrophobicContact CE2-CG 4.18Å; Y61-E395 VanDerWaalsContact CZ-CB 3.5Å; Y61-E395 VanDerWaalsContact CZ-CG 3.48Å; Y61-E395 WeakPolarHBondContact OH-CB 3.43Å; Y61-E395 WeakPolarHBondContact OH-CG 3.45Å; Y61-E395 PolarHBondContact OH-OE1 2.98Å; E395-T397 PolarHBondContact O-N 2.95Å; E395-G398 PolarHBondContact O-N 3.4Å | ||
| 396 | G | 72.6 | Confident | 82.8 | Confident | 17 Ų | 17 | 30.8 Ų | 30.8 | 18% | 0.175 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | -115.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 114 | G398 | G396-G398 VanDerWaalsContact C-N 3.31Å; G396-G398 PolarHBondContact O-N 3.02Å |
| 397 | T | 79.7 | Confident | 83.1 | Confident | 20 Ų | 20 | 28.9 Ų | 28.9 | 12% | 0.123 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -70.4 | -26.4 | -172.6 | 53.6 | 0 | 0 | 0 | 0 | 113.1 | W136 E395 L399 A400 F401 | W136-T397 HydrophobicContact CE3-CG2 4.04Å; W136-T397 HydrophobicContact CZ3-CG2 3.6Å; E395-T397 PolarHBondContact O-N 2.95Å; T397-L399 PolarHBondContact O-N 2.92Å; T397-A400 PolarHBondContact O-N 3.34Å; T397-F401 HydrophobicContact CG2-CE2 4.4Å; T397-F401 WeakPolarHBondContact O-CD2 3.44Å; T397-F401 PolarHBondContact O-N 3.23Å; T397-F401 VanDerWaalsContact O-N 3.1Å |
| 398 | G | 83.5 | Confident | 83.5 | Confident | 2 Ų | 2 | 24 Ų | 24 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.7 | -24.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | E395 G396 I402 V403 | E395-G398 PolarHBondContact O-N 3.4Å; G396-G398 VanDerWaalsContact C-N 3.31Å; G396-G398 PolarHBondContact O-N 3.02Å; G398-I402 WeakPolarHBondContact O-CA 3.37Å; G398-I402 WeakPolarHBondContact O-CB 3.37Å; G398-I402 PolarHBondContact O-N 3.4Å; G398-V403 PolarHBondContact O-N 3.35Å; G398-V403 VanDerWaalsContact O-N 3.08Å |
| 399 | L | 85.4 | Confident | 83.9 | Confident | 4 Ų | 4 | 22.5 Ų | 22.5 | 2% | 0.021 | 13% | 0.131 | C | C | . | . | I | π-helix | trans | -60 | -50.9 | 173.5 | -166 | 75.1 | 0 | 0 | 0 | 110.8 | W57 I322 I326 T397 V403 F404 | W57-L399 HydrophobicContact CB-CB 4.11Å; W57-L399 HydrophobicContact CB-CD2 3.78Å; I322-L399 HydrophobicContact CG2-CD2 4.02Å; I326-L399 HydrophobicContact CD1-CD1 4.16Å; T397-L399 PolarHBondContact O-N 2.92Å; L399-V403 HydrophobicContact CD1-CB 4.14Å; L399-V403 HydrophobicContact CD1-CG1 4.17Å; L399-V403 HydrophobicContact CD1-CG2 4.24Å; L399-V403 WeakPolarHBondContact O-CB 3.45Å; L399-V403 PolarHBondContact O-N 3.49Å; L399-F404 HydrophobicContact CG-CD2 4.33Å; L399-F404 HydrophobicContact CG-CE2 4.27Å; L399-F404 VanDerWaalsContact O-CD2 3.28Å; L399-F404 WeakPolarHBondContact O-CD2 3.4Å; L399-F404 PolarHBondContact O-N 3.34Å |
| 400 | A | 88.4 | Confident | 84.1 | Confident | 3 Ų | 3 | 25.7 Ų | 25.7 | 3% | 0.025 | 15% | 0.146 | C | C | . | . | I | π-helix | trans | -75.2 | -40.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | W57 T397 F404 F421 L425 | W57-A400 HydrophobicContact CE3-CB 3.69Å; W57-A400 HydrophobicContact CZ3-CB 3.85Å; T397-A400 PolarHBondContact O-N 3.34Å; A400-F404 WeakPolarHBondContact O-CB 3.45Å; A400-F421 HydrophobicContact CB-CE1 4.29Å; A400-F421 HydrophobicContact CB-CZ 4.16Å; A400-L425 HydrophobicContact CB-CD1 3.93Å |
| 401 | F | 92.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | I | π-helix | trans | -92.1 | -15.1 | -171 | -61.7 | -63.8 | 0 | 0 | 0 | 114.6 | W136 I137 Y140 V173 W177 T397 T405 F422 | W136-F401 HydrophobicContact CB-CE1 4.11Å; W136-F401 HydrophobicContact CB-CE2 4.06Å; W136-F401 HydrophobicContact CB-CZ 3.52Å; W136-F401 HydrophobicContact CE3-CE2 4.13Å; I137-F401 HydrophobicContact CG1-CE1 4.27Å; I137-F401 HydrophobicContact CG1-CZ 3.89Å; Y140-F401 HydrophobicContact CD1-CD1 4.32Å; Y140-F401 AromaticContact CD2-CD1 3.45Å; Y140-F401 HydrophobicContact CD2-CD1 3.45Å; Y140-F401 VanDerWaalsContact CD2-CD1 3.45Å; Y140-F401 AromaticContact CD2-CE1 3.65Å; Y140-F401 HydrophobicContact CD2-CE1 3.65Å; Y140-F401 HydrophobicContact CE1-CD1 4.23Å; Y140-F401 HydrophobicContact CE2-CB 4.24Å; Y140-F401 AromaticContact CE2-CD1 3.36Å; Y140-F401 HydrophobicContact CE2-CD1 3.36Å; Y140-F401 AromaticContact CE2-CE1 3.97Å; Y140-F401 HydrophobicContact CE2-CE1 3.97Å; Y140-F401 HydrophobicContact CE2-CG 4.03Å; Y140-F401 AromaticContact CG-CD1 3.93Å; Y140-F401 HydrophobicContact CG-CD1 3.93Å; Y140-F401 HydrophobicContact CG-CE1 4.19Å; Y140-F401 AromaticContact CZ-CD1 3.76Å; Y140-F401 PolarHBondContact OH-O 3.38Å; V173-F401 WeakPolarHBondContact CG1-O 3.31Å; W177-F401 HydrophobicContact CD2-CB 3.99Å; W177-F401 HydrophobicContact CE3-CB 3.69Å; W177-F401 HydrophobicContact CE3-CD1 4.5Å; W177-F401 HydrophobicContact CE3-CD2 4.23Å; W177-F401 AromaticContact CE3-CG 3.91Å; W177-F401 HydrophobicContact CE3-CG 3.91Å; W177-F401 HydrophobicContact CH2-CB 4.33Å; W177-F401 AromaticContact CH2-CD2 3.36Å; W177-F401 HydrophobicContact CH2-CD2 3.36Å; W177-F401 AromaticContact CH2-CE2 3.75Å; W177-F401 HydrophobicContact CH2-CE2 3.75Å; W177-F401 AromaticContact CH2-CG 3.89Å; W177-F401 HydrophobicContact CH2-CG 3.89Å; W177-F401 AromaticContact CZ2-CD2 3.93Å; W177-F401 HydrophobicContact CZ2-CD2 3.93Å; W177-F401 HydrophobicContact CZ3-CB 3.88Å; W177-F401 HydrophobicContact CZ3-CD1 4.05Å; W177-F401 AromaticContact CZ3-CD2 3.54Å; W177-F401 HydrophobicContact CZ3-CD2 3.54Å; W177-F401 HydrophobicContact CZ3-CE1 4.47Å; W177-F401 HydrophobicContact CZ3-CE2 4.04Å; W177-F401 AromaticContact CZ3-CG 3.55Å; W177-F401 HydrophobicContact CZ3-CG 3.55Å; W177-F401 HydrophobicContact CZ3-CZ 4.47Å; T397-F401 HydrophobicContact CG2-CE2 4.4Å; T397-F401 WeakPolarHBondContact O-CD2 3.44Å; T397-F401 PolarHBondContact O-N 3.23Å; T397-F401 VanDerWaalsContact O-N 3.1Å; F401-T405 PolarHBondContact O-OG1 2.83Å; F401-F422 AromaticContact CD1-CE1 3.91Å; F401-F422 HydrophobicContact CD1-CE1 3.91Å; F401-F422 HydrophobicContact CD1-CZ 4.39Å; F401-F422 AromaticContact CE1-CE1 3.85Å; F401-F422 HydrophobicContact CE1-CE1 3.85Å |
| 402 | I | 91.4 | Very high | 84.9 | Confident | 3 Ų | 3 | 26.5 Ų | 26.5 | 2% | 0.015 | 15% | 0.15 | C | C | . | . | I | π-helix | trans | -117 | -62.4 | 178.8 | -53.1 | 169.2 | 0 | 0 | 0 | 110.4 | V173 D174 W177 Y178 V394 G398 F404 T405 E406 | V173-I402 HydrophobicContact CG1-CB 4.41Å; V173-I402 HydrophobicContact CG1-CG2 4.25Å; D174-I402 VanDerWaalsContact OD1-CG2 3.29Å; D174-I402 WeakPolarHBondContact OD1-CG2 3.33Å; W177-I402 HydrophobicContact CB-CG1 4.26Å; W177-I402 HydrophobicContact CG-CD1 4.37Å; W177-I402 HydrophobicContact CG-CG1 4.24Å; Y178-I402 HydrophobicContact CE2-CD1 4.07Å; V394-I402 HydrophobicContact CG1-CD1 4.46Å; G398-I402 WeakPolarHBondContact O-CA 3.37Å; G398-I402 WeakPolarHBondContact O-CB 3.37Å; G398-I402 PolarHBondContact O-N 3.4Å; I402-F404 PolarHBondContact O-N 2.94Å; I402-T405 WeakPolarHBondContact CA-OG1 3.44Å; I402-T405 PolarHBondContact N-OG1 3.42Å; I402-T405 PolarHBondContact O-OG1 3.46Å; I402-E406 WeakPolarHBondContact O-CB 3.31Å; I402-E406 PolarHBondContact O-N 2.97Å |
| 403 | V | 90.1 | Very high | 85.8 | Confident | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.012 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -64.9 | -43.7 | -171.9 | 176 | 0 | 0 | 0 | 0 | 112 | I326 V394 G398 L399 A407 | I326-V403 HydrophobicContact CG1-CG1 4.18Å; V394-V403 HydrophobicContact CB-CG2 4.17Å; V394-V403 HydrophobicContact CG2-CG2 3.61Å; G398-V403 PolarHBondContact O-N 3.35Å; G398-V403 VanDerWaalsContact O-N 3.08Å; L399-V403 HydrophobicContact CD1-CB 4.14Å; L399-V403 HydrophobicContact CD1-CG1 4.17Å; L399-V403 HydrophobicContact CD1-CG2 4.24Å; L399-V403 WeakPolarHBondContact O-CB 3.45Å; L399-V403 PolarHBondContact O-N 3.49Å; V403-A407 PolarHBondContact O-N 3.26Å |
| 404 | F | 90.6 | Very high | 87.4 | Confident | 4 Ų | 4 | 27.7 Ų | 27.7 | 2% | 0.018 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -73.7 | -42.5 | -179.2 | -94 | -99.9 | 0 | 0 | 0 | 113.7 | I322 I325 L399 A400 I402 E406 A407 I408 F421 | I322-F404 HydrophobicContact CB-CE2 4.49Å; I322-F404 HydrophobicContact CB-CZ 4.13Å; I322-F404 HydrophobicContact CD1-CE1 3.72Å; I322-F404 HydrophobicContact CD1-CE2 3.56Å; I322-F404 HydrophobicContact CD1-CZ 3.05Å; I322-F404 HydrophobicContact CG1-CZ 4.11Å; I322-F404 HydrophobicContact CG2-CE2 3.82Å; I322-F404 HydrophobicContact CG2-CZ 3.94Å; I325-F404 HydrophobicContact CB-CE1 4.2Å; I325-F404 HydrophobicContact CB-CZ 4.12Å; I325-F404 HydrophobicContact CD1-CD1 4.29Å; I325-F404 HydrophobicContact CD1-CE1 3.43Å; I325-F404 VanDerWaalsContact CD1-CE1 3.43Å; I325-F404 HydrophobicContact CD1-CZ 4.04Å; I325-F404 HydrophobicContact CG1-CE1 4.4Å; I325-F404 HydrophobicContact CG2-CD1 4.41Å; I325-F404 HydrophobicContact CG2-CE1 4.06Å; I325-F404 HydrophobicContact CG2-CZ 4.17Å; L399-F404 HydrophobicContact CG-CD2 4.33Å; L399-F404 HydrophobicContact CG-CE2 4.27Å; L399-F404 VanDerWaalsContact O-CD2 3.28Å; L399-F404 WeakPolarHBondContact O-CD2 3.4Å; L399-F404 PolarHBondContact O-N 3.34Å; A400-F404 WeakPolarHBondContact O-CB 3.45Å; I402-F404 PolarHBondContact O-N 2.94Å; F404-E406 VanDerWaalsContact C-N 3.33Å; F404-A407 PolarHBondContact O-N 2.93Å; F404-I408 WeakPolarHBondContact O-CB 3.4Å; F404-I408 WeakPolarHBondContact O-CD1 3.12Å; F404-I408 WeakPolarHBondContact O-CG1 3.39Å; F404-I408 PolarHBondContact O-N 3.17Å; F404-F421 HydrophobicContact CB-CE1 3.74Å; F404-F421 HydrophobicContact CB-CE2 4.33Å; F404-F421 HydrophobicContact CB-CZ 3.61Å; F404-F421 AromaticContact CD1-CD2 3.96Å; F404-F421 HydrophobicContact CD1-CD2 3.96Å; F404-F421 HydrophobicContact CD1-CE1 4.24Å; F404-F421 AromaticContact CD1-CE2 3.32Å; F404-F421 HydrophobicContact CD1-CE2 3.32Å; F404-F421 AromaticContact CD1-CZ 3.47Å; F404-F421 HydrophobicContact CD1-CZ 3.47Å; F404-F421 VanDerWaalsContact CD1-CZ 3.47Å; F404-F421 HydrophobicContact CD2-CZ 4.3Å; F404-F421 AromaticContact CE1-CE2 3.85Å; F404-F421 HydrophobicContact CE1-CE2 3.85Å; F404-F421 HydrophobicContact CE1-CZ 4.32Å; F404-F421 HydrophobicContact CG-CE1 4.13Å; F404-F421 AromaticContact CG-CE2 3.86Å; F404-F421 HydrophobicContact CG-CE2 3.86Å; F404-F421 AromaticContact CG-CZ 3.48Å; F404-F421 HydrophobicContact CG-CZ 3.48Å; F404-F421 VanDerWaalsContact CG-CZ 3.48Å |
| 405 | T | 93.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.8 | -36.6 | 179.6 | 44.5 | 0 | 0 | 0 | 0 | 111.4 | Y140 W151 V173 F401 I402 I408 I409 F422 | Y140-T405 HydrophobicContact CD1-CG2 4.13Å; Y140-T405 HydrophobicContact CE1-CG2 3.9Å; W151-T405 HydrophobicContact CZ2-CG2 4.42Å; V173-T405 WeakPolarHBondContact CG1-OG1 3.47Å; F401-T405 PolarHBondContact O-OG1 2.83Å; I402-T405 WeakPolarHBondContact CA-OG1 3.44Å; I402-T405 PolarHBondContact N-OG1 3.42Å; I402-T405 PolarHBondContact O-OG1 3.46Å; T405-I408 PolarHBondContact O-N 2.94Å; T405-I409 PolarHBondContact O-N 3.4Å; T405-F422 HydrophobicContact CG2-CE2 4.07Å; T405-F422 HydrophobicContact CG2-CZ 3.62Å |
| 406 | E | 92.4 | Very high | 90.3 | Very high | 28 Ų | 28 | 26.9 Ų | 26.9 | 13% | 0.131 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.5 | -42.8 | 170.4 | -171.2 | 178 | -164 | 0 | 0 | 111.4 | V173 R329 K333 I402 F404 I408 I409 | V173-E406 HydrophobicContact CG2-CB 4.01Å; V173-E406 HydrophobicContact CG2-CG 4.46Å; R329-E406 IonicContact CZ-OE2 3.51Å; R329-E406 IonicContact NE-OE2 3.62Å; R329-E406 PolarHBondContact NE-OE2 3.34Å; R329-E406 IonicContact NH2-OE2 2.73Å; R329-E406 PolarHBondContact NH2-OE2 3.18Å; K333-E406 WeakPolarHBondContact CE-OE1 3.47Å; K333-E406 IonicContact NZ-OE1 3.85Å; K333-E406 PolarHBondContact NZ-OE1 3.26Å; K333-E406 IonicContact NZ-OE2 2.63Å; K333-E406 PolarHBondContact NZ-OE2 3.45Å; I402-E406 WeakPolarHBondContact O-CB 3.31Å; I402-E406 PolarHBondContact O-N 2.97Å; F404-E406 VanDerWaalsContact C-N 3.33Å; E406-I408 VanDerWaalsContact C-N 3.34Å; E406-I408 PolarHBondContact O-N 3.43Å; E406-I409 WeakPolarHBondContact O-CG1 2.91Å |
| 407 | A | 92.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68.2 | -33.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | I325 F328 R329 V403 F404 E410 M411 | I325-A407 HydrophobicContact CG2-CB 3.46Å; I325-A407 VanDerWaalsContact CG2-CB 3.46Å; F328-A407 HydrophobicContact CD1-CB 4.38Å; R329-A407 HydrophobicContact CB-CB 4.49Å; V403-A407 PolarHBondContact O-N 3.26Å; F404-A407 PolarHBondContact O-N 2.93Å; A407-E410 PolarHBondContact O-N 3.14Å; A407-M411 HydrophobicContact CB-CE 4.32Å; A407-M411 WeakPolarHBondContact O-CG 3.45Å |
| 408 | I | 94.2 | Very high | 92.3 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -69.4 | -37.8 | -177.7 | -76.5 | 163.8 | 0 | 0 | 0 | 112.1 | L149 F404 T405 E406 E410 M411 S414 W417 F421 | L149-I408 HydrophobicContact CD1-CG2 4.25Å; F404-I408 WeakPolarHBondContact O-CB 3.4Å; F404-I408 WeakPolarHBondContact O-CD1 3.12Å; F404-I408 WeakPolarHBondContact O-CG1 3.39Å; F404-I408 PolarHBondContact O-N 3.17Å; T405-I408 PolarHBondContact O-N 2.94Å; E406-I408 VanDerWaalsContact C-N 3.34Å; E406-I408 PolarHBondContact O-N 3.43Å; I408-E410 PolarHBondContact O-N 3.09Å; I408-M411 WeakPolarHBondContact O-CB 3.32Å; I408-M411 PolarHBondContact O-N 2.97Å; I408-S414 WeakPolarHBondContact CG2-O 3.12Å; I408-S414 VanDerWaalsContact O-CB 3.3Å; I408-S414 WeakPolarHBondContact O-CB 3.31Å; I408-S414 PolarHBondContact O-OG 3.49Å; I408-W417 HydrophobicContact CG1-CB 4.41Å; I408-W417 HydrophobicContact CG2-CB 4.14Å; I408-F421 HydrophobicContact CD1-CB 4.09Å; I408-F421 HydrophobicContact CD1-CD1 4.1Å; I408-F421 HydrophobicContact CD1-CG 4.15Å |
| 409 | I | 94.6 | Very high | 93 | Very high | 32 Ų | 32 | 28.4 Ų | 28.4 | 16% | 0.164 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.8 | -29.8 | 179 | 56.2 | 169.5 | 0 | 0 | 0 | 112 | L149 W151 V173 T405 E406 M411 S414 | L149-I409 HydrophobicContact CD1-CG2 4.1Å; W151-I409 VanDerWaalsContact CD1-CG2 3.46Å; V173-I409 HydrophobicContact CG2-CD1 4.33Å; T405-I409 PolarHBondContact O-N 3.4Å; E406-I409 WeakPolarHBondContact O-CG1 2.91Å; I409-M411 VanDerWaalsContact C-N 3.27Å; I409-M411 PolarHBondContact O-N 3.08Å; I409-S414 PolarHBondContact O-OG 2.83Å |
| 410 | E | 91.8 | Very high | 93.5 | Very high | 98 Ų | 98 | 30.5 Ų | 30.5 | 46% | 0.458 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -9.3 | 175.7 | -61.4 | -51 | 134 | 0 | 0 | 113.7 | F328 A407 I408 | F328-E410 HydrophobicContact CE1-CB 3.94Å; F328-E410 HydrophobicContact CZ-CB 3.92Å; A407-E410 PolarHBondContact O-N 3.14Å; I408-E410 PolarHBondContact O-N 3.09Å |
| 411 | M | 91.1 | Very high | 93.9 | Very high | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.02 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -87.4 | 143.1 | 176.6 | -59.9 | -171.4 | -155.9 | 0 | 0 | 111.1 | R241 L245 I325 A407 I408 I409 S414 W417 | R241-M411 HydrophobicContact CG-SD 4.31Å; L245-M411 HydrophobicContact CD1-CE 3.64Å; L245-M411 HydrophobicContact CD1-SD 4.14Å; I325-M411 HydrophobicContact CG2-CE 4.43Å; A407-M411 HydrophobicContact CB-CE 4.32Å; A407-M411 WeakPolarHBondContact O-CG 3.45Å; I408-M411 WeakPolarHBondContact O-CB 3.32Å; I408-M411 PolarHBondContact O-N 2.97Å; I409-M411 VanDerWaalsContact C-N 3.27Å; I409-M411 PolarHBondContact O-N 3.08Å; M411-S414 PolarHBondContact O-N 3.01Å; M411-S414 PolarHBondContact O-OG 3.11Å; M411-W417 HydrophobicContact SD-CG 4.42Å |
| 412 | P | 91.3 | Very high | 94.1 | Very high | 81 Ų | 81 | 30.4 Ų | 30.4 | 53% | 0.526 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 141.8 | 172.1 | 28.6 | -35.1 | 0 | 0 | 0 | 110.4 | W417 | P412-W417 PolarHBondContact O-NE1 3.28Š|
| 413 | I | 93.8 | Very high | 94.4 | Very high | 127 Ų | 127 | 32.3 Ų | 32.3 | 65% | 0.651 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60 | 46.7 | -176.5 | -40.7 | 173.9 | 0 | 0 | 0 | 110.4 | P415 L416 W417 | I413-P415 VanDerWaalsContact C-N 3.32Å; I413-L416 HydrophobicContact CG2-CB 3.8Å; I413-L416 HydrophobicContact CG2-CD2 4.42Å; I413-L416 WeakPolarHBondContact O-CB 3.45Å; I413-L416 PolarHBondContact O-N 3.32Å; I413-L416 VanDerWaalsContact O-N 3.08Å; I413-W417 VanDerWaalsContact O-CD1 3.27Å |
| 414 | S | 94.8 | Very high | 94.6 | Very high | 22 Ų | 22 | 32.3 Ų | 32.3 | 15% | 0.154 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -49.4 | -40.8 | -176.1 | -30.8 | 0 | 0 | 0 | 0 | 114.4 | I408 I409 M411 L416 W417 S418 | I408-S414 WeakPolarHBondContact CG2-O 3.12Å; I408-S414 VanDerWaalsContact O-CB 3.3Å; I408-S414 WeakPolarHBondContact O-CB 3.31Å; I408-S414 PolarHBondContact O-OG 3.49Å; I409-S414 PolarHBondContact O-OG 2.83Å; M411-S414 PolarHBondContact O-N 3.01Å; M411-S414 PolarHBondContact O-OG 3.11Å; S414-L416 VanDerWaalsContact C-N 3.29Å; S414-L416 PolarHBondContact O-N 3.05Å; S414-W417 PolarHBondContact O-N 3.27Å; S414-S418 PolarHBondContact O-N 3.38Å |
| 415 | P | 96.5 | Very high | 94.9 | Very high | 25 Ų | 25 | 32.1 Ų | 32.1 | 16% | 0.162 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.3 | -37 | 178.5 | -27.3 | 36.5 | 0 | 0 | 0 | 114 | Q146 D147 L149 I413 S418 V419 | Q146-P415 WeakPolarHBondContact O-CG 3.37Å; D147-P415 HydrophobicContact CB-CG 4.08Å; L149-P415 HydrophobicContact CD2-CB 4.4Å; L149-P415 HydrophobicContact CD2-CG 4.34Å; L149-P415 HydrophobicContact CG-CG 4.26Å; I413-P415 VanDerWaalsContact C-N 3.32Å; P415-S418 PolarHBondContact O-N 3.3Å; P415-V419 WeakPolarHBondContact O-CG2 3.18Å; P415-V419 PolarHBondContact O-N 2.88Å |
| 416 | L | 96.4 | Very high | 95 | Very high | 91 Ų | 91 | 33.5 Ų | 33.5 | 48% | 0.476 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -64.6 | -47 | 179.2 | 177.4 | 65.5 | 0 | 0 | 0 | 111.4 | I413 S414 S418 V419 L420 | I413-L416 HydrophobicContact CG2-CB 3.8Å; I413-L416 HydrophobicContact CG2-CD2 4.42Å; I413-L416 WeakPolarHBondContact O-CB 3.45Å; I413-L416 PolarHBondContact O-N 3.32Å; I413-L416 VanDerWaalsContact O-N 3.08Å; S414-L416 VanDerWaalsContact C-N 3.29Å; S414-L416 PolarHBondContact O-N 3.05Å; L416-S418 VanDerWaalsContact C-N 3.31Å; L416-S418 PolarHBondContact O-N 3.24Å; L416-V419 PolarHBondContact O-N 3.04Å; L416-L420 HydrophobicContact CD1-CD1 4.42Å; L416-L420 HydrophobicContact CG-CD1 4.31Å; L416-L420 WeakPolarHBondContact O-CG 3.48Å; L416-L420 PolarHBondContact O-N 2.63Å |
| 417 | W | 96.3 | Very high | 95.1 | Very high | 39 Ų | 39 | 32.6 Ų | 32.6 | 15% | 0.148 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.3 | -39.1 | 178.3 | -59.1 | 107.2 | 0 | 0 | 0 | 111.3 | I237 F238 R241 I408 M411 P412 I413 S414 L420 F421 | I237-W417 HydrophobicContact CG2-CZ3 3.9Å; F238-W417 AromaticContact CE1-CE3 4Å; F238-W417 HydrophobicContact CE1-CE3 4Å; F238-W417 HydrophobicContact CZ-CB 4.5Å; F238-W417 HydrophobicContact CZ-CE3 4.19Å; R241-W417 HydrophobicContact CB-CH2 3.72Å; R241-W417 HydrophobicContact CB-CZ3 3.78Å; R241-W417 HydrophobicContact CG-CE3 4.32Å; R241-W417 HydrophobicContact CG-CH2 3.52Å; R241-W417 HydrophobicContact CG-CZ2 3.88Å; R241-W417 HydrophobicContact CG-CZ3 3.74Å; I408-W417 HydrophobicContact CG1-CB 4.41Å; I408-W417 HydrophobicContact CG2-CB 4.14Å; M411-W417 HydrophobicContact SD-CG 4.42Å; P412-W417 PolarHBondContact O-NE1 3.28Å; I413-W417 VanDerWaalsContact O-CD1 3.27Å; S414-W417 PolarHBondContact O-N 3.27Å; W417-L420 PolarHBondContact O-N 2.99Å; W417-F421 VanDerWaalsContact O-CB 3.29Å; W417-F421 WeakPolarHBondContact O-CB 3.24Å; W417-F421 PolarHBondContact O-N 3.36Å |
| 418 | S | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.4 | -49.8 | 175.3 | -174.8 | 0 | 0 | 0 | 0 | 112.3 | S144 W151 S414 P415 L416 L420 F421 F422 | S144-S418 WeakPolarHBondContact CB-OG 3.28Å; S144-S418 PolarHBondContact OG-OG 3.36Å; W151-S418 WeakPolarHBondContact CH2-OG 3.49Å; W151-S418 VanDerWaalsContact CZ2-OG 3.28Å; W151-S418 WeakPolarHBondContact CZ2-OG 3.39Å; S414-S418 PolarHBondContact O-N 3.38Å; P415-S418 PolarHBondContact O-N 3.3Å; L416-S418 VanDerWaalsContact C-N 3.31Å; L416-S418 PolarHBondContact O-N 3.24Å; S418-L420 PolarHBondContact O-N 3.3Å; S418-F421 PolarHBondContact O-N 3.49Å; S418-F422 VanDerWaalsContact O-CD2 3.23Å; S418-F422 WeakPolarHBondContact O-CD2 3.28Å; S418-F422 PolarHBondContact O-N 2.77Å |
| 419 | V | 97.7 | Very high | 95.3 | Very high | 31 Ų | 31 | 32.8 Ų | 32.8 | 19% | 0.188 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.5 | -48 | 177.9 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | L141 F145 P415 L416 F421 F422 V423 | L141-V419 HydrophobicContact CD1-CG1 4.21Å; F145-V419 HydrophobicContact CD1-CG2 4.17Å; F145-V419 HydrophobicContact CE1-CG1 4.26Å; F145-V419 HydrophobicContact CE1-CG2 3.91Å; F145-V419 HydrophobicContact CZ-CG1 4.19Å; F145-V419 HydrophobicContact CZ-CG2 4.11Å; P415-V419 WeakPolarHBondContact O-CG2 3.18Å; P415-V419 PolarHBondContact O-N 2.88Å; L416-V419 PolarHBondContact O-N 3.04Å; V419-F421 VanDerWaalsContact C-N 3.34Å; V419-F421 PolarHBondContact O-N 3.19Å; V419-F422 PolarHBondContact O-N 3.3Å; V419-V423 HydrophobicContact CG1-CG2 4.19Å; V419-V423 WeakPolarHBondContact O-CB 3.43Å; V419-V423 WeakPolarHBondContact O-CG2 3.26Å; V419-V423 PolarHBondContact O-N 2.83Å |
| 420 | L | 96.9 | Very high | 95.3 | Very high | 48 Ų | 48 | 31.6 Ų | 31.6 | 25% | 0.251 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -59.6 | -44.9 | 179 | -72.2 | 174.5 | 0 | 0 | 0 | 111.8 | V234 F238 L416 W417 S418 M424 | V234-L420 HydrophobicContact CG1-CB 4.22Å; F238-L420 HydrophobicContact CE2-CB 4.18Å; L416-L420 HydrophobicContact CD1-CD1 4.42Å; L416-L420 HydrophobicContact CG-CD1 4.31Å; L416-L420 WeakPolarHBondContact O-CG 3.48Å; L416-L420 PolarHBondContact O-N 2.63Å; W417-L420 PolarHBondContact O-N 2.99Å; S418-L420 PolarHBondContact O-N 3.3Å; L420-M424 WeakPolarHBondContact O-CB 3.25Å; L420-M424 PolarHBondContact O-N 2.99Å |
| 421 | F | 95.9 | Very high | 95.4 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.009 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.9 | -51 | 179.9 | -178.3 | -113.9 | 0 | 0 | 0 | 112.2 | F238 A400 F404 I408 W417 S418 V419 M424 L425 | F238-F421 HydrophobicContact CE2-CB 4.07Å; F238-F421 HydrophobicContact CE2-CD2 4.46Å; F238-F421 HydrophobicContact CZ-CB 3.76Å; F238-F421 HydrophobicContact CZ-CD2 4.39Å; A400-F421 HydrophobicContact CB-CE1 4.29Å; A400-F421 HydrophobicContact CB-CZ 4.16Å; F404-F421 HydrophobicContact CB-CE1 3.74Å; F404-F421 HydrophobicContact CB-CE2 4.33Å; F404-F421 HydrophobicContact CB-CZ 3.61Å; F404-F421 AromaticContact CD1-CD2 3.96Å; F404-F421 HydrophobicContact CD1-CD2 3.96Å; F404-F421 HydrophobicContact CD1-CE1 4.24Å; F404-F421 AromaticContact CD1-CE2 3.32Å; F404-F421 HydrophobicContact CD1-CE2 3.32Å; F404-F421 AromaticContact CD1-CZ 3.47Å; F404-F421 HydrophobicContact CD1-CZ 3.47Å; F404-F421 VanDerWaalsContact CD1-CZ 3.47Å; F404-F421 HydrophobicContact CD2-CZ 4.3Å; F404-F421 AromaticContact CE1-CE2 3.85Å; F404-F421 HydrophobicContact CE1-CE2 3.85Å; F404-F421 HydrophobicContact CE1-CZ 4.32Å; F404-F421 HydrophobicContact CG-CE1 4.13Å; F404-F421 AromaticContact CG-CE2 3.86Å; F404-F421 HydrophobicContact CG-CE2 3.86Å; F404-F421 AromaticContact CG-CZ 3.48Å; F404-F421 HydrophobicContact CG-CZ 3.48Å; F404-F421 VanDerWaalsContact CG-CZ 3.48Å; I408-F421 HydrophobicContact CD1-CB 4.09Å; I408-F421 HydrophobicContact CD1-CD1 4.1Å; I408-F421 HydrophobicContact CD1-CG 4.15Å; W417-F421 VanDerWaalsContact O-CB 3.29Å; W417-F421 WeakPolarHBondContact O-CB 3.24Å; W417-F421 PolarHBondContact O-N 3.36Å; S418-F421 PolarHBondContact O-N 3.49Å; V419-F421 VanDerWaalsContact C-N 3.34Å; V419-F421 PolarHBondContact O-N 3.19Å; F421-M424 HydrophobicContact CD2-CE 3.64Å; F421-M424 HydrophobicContact CE2-CE 3.8Å; F421-M424 WeakPolarHBondContact O-CB 3.26Å; F421-M424 PolarHBondContact O-N 3.01Å; F421-L425 HydrophobicContact CD1-CD1 4.09Å; F421-L425 HydrophobicContact CE1-CD1 3.51Å; F421-L425 HydrophobicContact CE1-CG 4.36Å; F421-L425 HydrophobicContact CE2-CD1 4.23Å; F421-L425 HydrophobicContact CE2-CD2 4.47Å; F421-L425 HydrophobicContact CE2-CG 4.33Å; F421-L425 HydrophobicContact CZ-CD1 3.6Å; F421-L425 HydrophobicContact CZ-CD2 4.45Å; F421-L425 HydrophobicContact CZ-CG 4.18Å; F421-L425 WeakPolarHBondContact O-CG 3.35Å; F421-L425 PolarHBondContact O-N 3.46Å |
| 422 | F | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -72.9 | -31 | -177.6 | -70.8 | -64.2 | 0 | 0 | 0 | 113 | I137 Y140 L141 W151 F401 T405 S418 V419 L425 F426 | I137-F422 HydrophobicContact CG2-CB 4.32Å; I137-F422 HydrophobicContact CG2-CD1 4.22Å; I137-F422 VanDerWaalsContact CG2-O 3.27Å; I137-F422 WeakPolarHBondContact CG2-O 3.47Å; Y140-F422 VanDerWaalsContact CB-CZ 3.44Å; Y140-F422 HydrophobicContact CD1-CE1 4.05Å; Y140-F422 AromaticContact CD1-CE2 3.7Å; Y140-F422 HydrophobicContact CD1-CE2 3.7Å; Y140-F422 AromaticContact CD1-CZ 3.29Å; Y140-F422 HydrophobicContact CD1-CZ 3.29Å; Y140-F422 HydrophobicContact CE1-CZ 4.17Å; Y140-F422 AromaticContact CG-CE1 3.83Å; Y140-F422 HydrophobicContact CG-CE1 3.83Å; Y140-F422 HydrophobicContact CG-CE2 4.03Å; Y140-F422 AromaticContact CG-CZ 3.54Å; Y140-F422 HydrophobicContact CG-CZ 3.54Å; L141-F422 HydrophobicContact CB-CB 4Å; L141-F422 HydrophobicContact CD1-CB 4.29Å; W151-F422 HydrophobicContact CH2-CE2 4.17Å; W151-F422 HydrophobicContact CZ2-CE2 4.33Å; F401-F422 AromaticContact CD1-CE1 3.91Å; F401-F422 HydrophobicContact CD1-CE1 3.91Å; F401-F422 HydrophobicContact CD1-CZ 4.39Å; F401-F422 AromaticContact CE1-CE1 3.85Å; F401-F422 HydrophobicContact CE1-CE1 3.85Å; T405-F422 HydrophobicContact CG2-CE2 4.07Å; T405-F422 HydrophobicContact CG2-CZ 3.62Å; S418-F422 VanDerWaalsContact O-CD2 3.23Å; S418-F422 WeakPolarHBondContact O-CD2 3.28Å; S418-F422 PolarHBondContact O-N 2.77Å; V419-F422 PolarHBondContact O-N 3.3Å; F422-L425 HydrophobicContact CD1-CD1 4.2Å; F422-L425 HydrophobicContact CE1-CD1 4.42Å; F422-L425 PolarHBondContact O-N 2.89Å; F422-F426 VanDerWaalsContact O-CB 3.26Å; F422-F426 WeakPolarHBondContact O-CB 3.41Å; F422-F426 PolarHBondContact O-N 3.24Å |
| 423 | V | 97 | Very high | 95.7 | Very high | 42 Ų | 42 | 23.7 Ų | 23.7 | 26% | 0.255 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -64.2 | -42 | 169.9 | 172 | 0 | 0 | 0 | 0 | 111 | L141 L230 V419 F426 C427 | L141-V423 HydrophobicContact CD1-CG2 3.73Å; L141-V423 HydrophobicContact CD2-CG2 4.06Å; L230-V423 HydrophobicContact CD1-CG1 4.2Å; L230-V423 HydrophobicContact CD2-CG1 3.82Å; V419-V423 HydrophobicContact CG1-CG2 4.19Å; V419-V423 WeakPolarHBondContact O-CB 3.43Å; V419-V423 WeakPolarHBondContact O-CG2 3.26Å; V419-V423 PolarHBondContact O-N 2.83Å; V423-F426 PolarHBondContact O-N 3.42Å; V423-C427 PolarHBondContact O-N 3.34Å; V423-C427 PolarHBondContact O-SG 2.84Å |
| 424 | M | 95.7 | Very high | 95.8 | Very high | 2 Ų | 2 | 17.8 Ų | 17.8 | 1% | 0.01 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.1 | -50.4 | 175.2 | 170.7 | -167.6 | 78.7 | 0 | 0 | 111.6 | V56 P231 V234 L235 L420 F421 F426 C427 L428 | V56-M424 HydrophobicContact CG1-CE 4.5Å; P231-M424 HydrophobicContact CB-CG 4.08Å; V234-M424 HydrophobicContact CB-CB 3.9Å; V234-M424 HydrophobicContact CB-CG 4.14Å; V234-M424 HydrophobicContact CB-SD 4.1Å; V234-M424 HydrophobicContact CG1-CB 3.67Å; V234-M424 HydrophobicContact CG1-CG 4.12Å; V234-M424 HydrophobicContact CG1-SD 3.76Å; V234-M424 HydrophobicContact CG2-CB 4.35Å; L235-M424 HydrophobicContact CD2-CE 4.27Å; L235-M424 HydrophobicContact CD2-SD 3.61Å; L235-M424 HydrophobicContact CG-SD 3.67Å; L420-M424 WeakPolarHBondContact O-CB 3.25Å; L420-M424 PolarHBondContact O-N 2.99Å; F421-M424 HydrophobicContact CD2-CE 3.64Å; F421-M424 HydrophobicContact CE2-CE 3.8Å; F421-M424 WeakPolarHBondContact O-CB 3.26Å; F421-M424 PolarHBondContact O-N 3.01Å; M424-F426 VanDerWaalsContact C-N 3.28Å; M424-F426 PolarHBondContact O-N 3.04Å; M424-C427 PolarHBondContact O-N 3.04Å; M424-L428 HydrophobicContact CG-CD1 4.24Å; M424-L428 WeakPolarHBondContact O-CG 3.48Å; M424-L428 PolarHBondContact O-N 2.8Å |
| 425 | L | 95.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60.4 | -40.5 | 177.8 | -68.1 | -177.2 | 0 | 0 | 0 | 111.5 | L53 V56 I137 A400 F421 F422 L428 G429 | L53-L425 HydrophobicContact CD2-CB 4.04Å; L53-L425 HydrophobicContact CD2-CD2 3.82Å; L53-L425 HydrophobicContact CD2-CG 4.49Å; L53-L425 WeakPolarHBondContact CD2-O 3.38Å; V56-L425 HydrophobicContact CB-CD2 4.4Å; V56-L425 HydrophobicContact CG1-CD2 3.84Å; I137-L425 HydrophobicContact CD1-CB 3.83Å; I137-L425 HydrophobicContact CG1-CB 4.19Å; I137-L425 HydrophobicContact CG1-CD1 4.49Å; I137-L425 HydrophobicContact CG2-CB 4.03Å; A400-L425 HydrophobicContact CB-CD1 3.93Å; F421-L425 HydrophobicContact CD1-CD1 4.09Å; F421-L425 HydrophobicContact CE1-CD1 3.51Å; F421-L425 HydrophobicContact CE1-CG 4.36Å; F421-L425 HydrophobicContact CE2-CD1 4.23Å; F421-L425 HydrophobicContact CE2-CD2 4.47Å; F421-L425 HydrophobicContact CE2-CG 4.33Å; F421-L425 HydrophobicContact CZ-CD1 3.6Å; F421-L425 HydrophobicContact CZ-CD2 4.45Å; F421-L425 HydrophobicContact CZ-CG 4.18Å; F421-L425 WeakPolarHBondContact O-CG 3.35Å; F421-L425 PolarHBondContact O-N 3.46Å; F422-L425 HydrophobicContact CD1-CD1 4.2Å; F422-L425 HydrophobicContact CE1-CD1 4.42Å; F422-L425 PolarHBondContact O-N 2.89Å; L425-L428 PolarHBondContact O-N 3.34Å; L425-G429 PolarHBondContact O-N 3.42Å |
| 426 | F | 96.2 | Very high | 95.5 | Very high | 29 Ų | 29 | 15.7 Ų | 15.7 | 13% | 0.127 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -62.1 | -45.6 | 176.5 | -174.2 | -102.1 | 0 | 0 | 0 | 111.4 | M134 I137 M138 V208 F422 V423 M424 L428 G429 L430 | M134-F426 HydrophobicContact CE-CB 4.5Å; M134-F426 HydrophobicContact CE-CD2 3.23Å; M134-F426 HydrophobicContact CE-CE2 3.32Å; M134-F426 HydrophobicContact CE-CG 3.87Å; M134-F426 HydrophobicContact CE-CZ 4.06Å; M134-F426 WeakPolarHBondContact CE-O 3.33Å; M134-F426 HydrophobicContact SD-CD2 4.29Å; I137-F426 HydrophobicContact CG2-CB 3.85Å; M138-F426 HydrophobicContact CG-CD2 3.61Å; M138-F426 HydrophobicContact CG-CE2 3.39Å; M138-F426 HydrophobicContact CG-CZ 4.34Å; M138-F426 HydrophobicContact SD-CD2 4.31Å; M138-F426 HydrophobicContact SD-CE2 3.46Å; M138-F426 WeakPolarHBondContact SD-CE2 3.47Å; M138-F426 HydrophobicContact SD-CZ 4.07Å; V208-F426 HydrophobicContact CB-CZ 4.31Å; V208-F426 HydrophobicContact CG1-CE1 4.22Å; V208-F426 HydrophobicContact CG1-CZ 3.84Å; F422-F426 VanDerWaalsContact O-CB 3.26Å; F422-F426 WeakPolarHBondContact O-CB 3.41Å; F422-F426 PolarHBondContact O-N 3.24Å; V423-F426 PolarHBondContact O-N 3.42Å; M424-F426 VanDerWaalsContact C-N 3.28Å; M424-F426 PolarHBondContact O-N 3.04Å; F426-L428 PolarHBondContact O-N 3.21Å; F426-G429 PolarHBondContact O-N 2.81Å; F426-L430 HydrophobicContact CE1-CD2 4.03Å; F426-L430 HydrophobicContact CZ-CD2 4.47Å; F426-L430 WeakPolarHBondContact O-CB 3.29Å; F426-L430 PolarHBondContact O-N 3.09Å |
| 427 | C | 96.1 | Very high | 95.3 | Very high | 10 Ų | 10 | 11.7 Ų | 11.7 | 7% | 0.068 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -61.6 | -43.4 | 177.1 | -76.1 | 0 | 0 | 0 | 0 | 112.8 | T227 L230 P231 V423 M424 L430 S431 | T227-C427 WeakPolarHBondContact O-CB 3.4Å; L230-C427 HydrophobicContact CD2-CB 4.49Å; P231-C427 HydrophobicContact CG-CB 3.67Å; V423-C427 PolarHBondContact O-N 3.34Å; V423-C427 PolarHBondContact O-SG 2.84Å; M424-C427 PolarHBondContact O-N 3.04Å; C427-L430 PolarHBondContact O-N 3.48Å; C427-S431 PolarHBondContact O-N 2.95Å; C427-S431 PolarHBondContact O-OG 2.86Å |
| 428 | L | 94.4 | Very high | 95.2 | Very high | 5 Ų | 5 | 10.5 Ų | 10.5 | 3% | 0.026 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -63.1 | -43.8 | 176.8 | -73.2 | 172.7 | 0 | 0 | 0 | 112.6 | V51 L53 V56 P231 M424 L425 F426 S431 T432 | V51-L428 HydrophobicContact CG1-CD2 4.1Å; L53-L428 HydrophobicContact CD2-CB 4.43Å; V56-L428 HydrophobicContact CG2-CD1 3.47Å; V56-L428 VanDerWaalsContact CG2-CD1 3.47Å; P231-L428 HydrophobicContact CB-CD1 4.22Å; P231-L428 HydrophobicContact CB-CD2 3.5Å; P231-L428 HydrophobicContact CB-CG 3.63Å; P231-L428 HydrophobicContact CG-CD2 3.73Å; P231-L428 HydrophobicContact CG-CG 3.72Å; M424-L428 HydrophobicContact CG-CD1 4.24Å; M424-L428 WeakPolarHBondContact O-CG 3.48Å; M424-L428 PolarHBondContact O-N 2.8Å; L425-L428 PolarHBondContact O-N 3.34Å; F426-L428 PolarHBondContact O-N 3.21Å; L428-S431 PolarHBondContact O-OG 3.45Å; L428-T432 PolarHBondContact O-N 2.98Å; L428-T432 PolarHBondContact O-OG1 3.47Å |
| 429 | G | 95 | Very high | 94.9 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -71.5 | -35.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y130 M134 L425 F426 S431 T432 M433 | Y130-G429 WeakPolarHBondContact CE1-O 3.3Å; M134-G429 WeakPolarHBondContact SD-CA 3.42Å; L425-G429 PolarHBondContact O-N 3.42Å; F426-G429 PolarHBondContact O-N 2.81Å; G429-S431 PolarHBondContact O-N 2.81Å; G429-T432 PolarHBondContact O-N 3.41Å; G429-M433 WeakPolarHBondContact O-CG 3.47Å; G429-M433 PolarHBondContact O-N 2.94Å |
| 430 | L | 95.1 | Very high | 94.8 | Very high | 8 Ų | 8 | 9.4 Ų | 9.4 | 4% | 0.042 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -65.2 | -40 | 177.7 | -171.1 | 61.6 | 0 | 0 | 0 | 111.7 | M134 V208 L209 T227 F426 C427 M433 F434 | M134-L430 HydrophobicContact CE-CB 3.86Å; V208-L430 HydrophobicContact CG1-CD2 4.25Å; L209-L430 HydrophobicContact CB-CD1 4.42Å; L209-L430 HydrophobicContact CD1-CD1 4.02Å; T227-L430 HydrophobicContact CG2-CD2 3.86Å; T227-L430 HydrophobicContact CG2-CG 4.38Å; F426-L430 HydrophobicContact CE1-CD2 4.03Å; F426-L430 HydrophobicContact CZ-CD2 4.47Å; F426-L430 WeakPolarHBondContact O-CB 3.29Å; F426-L430 PolarHBondContact O-N 3.09Å; C427-L430 PolarHBondContact O-N 3.48Å; L430-M433 PolarHBondContact O-N 3.32Å; L430-F434 HydrophobicContact CD1-CE1 3.7Å; L430-F434 HydrophobicContact CD1-CZ 4.14Å; L430-F434 HydrophobicContact CD2-CE1 4.39Å; L430-F434 HydrophobicContact CD2-CZ 4Å; L430-F434 HydrophobicContact CG-CE1 3.65Å; L430-F434 HydrophobicContact CG-CE2 4.4Å; L430-F434 HydrophobicContact CG-CZ 3.58Å; L430-F434 VanDerWaalsContact O-CD1 3.27Å; L430-F434 WeakPolarHBondContact O-CD1 3.19Å; L430-F434 WeakPolarHBondContact O-CG 3.44Å; L430-F434 PolarHBondContact O-N 2.87Å |
| 431 | S | 94.1 | Very high | 94.5 | Very high | 3 Ų | 3 | 7.8 Ų | 7.8 | 2% | 0.021 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -65.4 | -38.2 | 176.7 | 60.5 | 0 | 0 | 0 | 0 | 112.7 | G48 C427 L428 G429 F434 | G48-S431 CarbonylContact O-C 3.59Å; G48-S431 VanDerWaalsContact O-C 3.23Å; G48-S431 WeakPolarHBondContact O-CB 3.36Å; G48-S431 PolarHBondContact O-OG 3.46Å; C427-S431 PolarHBondContact O-N 2.95Å; C427-S431 PolarHBondContact O-OG 2.86Å; L428-S431 PolarHBondContact O-OG 3.45Å; G429-S431 PolarHBondContact O-N 2.81Å; S431-F434 PolarHBondContact O-N 3.49Å |
| 432 | T | 94 | Very high | 94.2 | Very high | 13 Ų | 13 | 8 Ų | 8 | 8% | 0.08 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -64.4 | -44.3 | 173.4 | -55 | 0 | 0 | 0 | 0 | 111.2 | G48 F49 G52 Y130 L428 G429 F434 G435 S436 | G48-T432 PolarHBondContact O-N 3.4Å; F49-T432 HydrophobicContact CD2-CG2 4.28Å; F49-T432 WeakPolarHBondContact CD2-O 3.46Å; F49-T432 HydrophobicContact CE2-CG2 4.36Å; F49-T432 WeakPolarHBondContact CE2-O 3.29Å; G52-T432 WeakPolarHBondContact CA-OG1 3.37Å; Y130-T432 HydrophobicContact CE1-CG2 4.43Å; Y130-T432 HydrophobicContact CE2-CG2 4.24Å; Y130-T432 PolarHBondContact OH-OG1 3.12Å; L428-T432 PolarHBondContact O-N 2.98Å; L428-T432 PolarHBondContact O-OG1 3.47Å; G429-T432 PolarHBondContact O-N 3.41Å; T432-F434 PolarHBondContact O-N 3.48Å; T432-G435 PolarHBondContact O-N 3.28Å; T432-G435 VanDerWaalsContact O-N 3.13Å; T432-S436 PolarHBondContact O-N 2.81Å; T432-S436 PolarHBondContact O-OG 3.3Å |
| 433 | M | 95.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -61 | -29.9 | -179.6 | -75 | -59.5 | -60.3 | 0 | 0 | 113.5 | G127 Y130 N131 W206 L209 G429 L430 G435 S436 I437 | G127-M433 WeakPolarHBondContact O-CE 3.45Å; Y130-M433 HydrophobicContact CD1-CG 3.8Å; Y130-M433 HydrophobicContact CD1-SD 3.62Å; Y130-M433 HydrophobicContact CE1-CG 4.24Å; Y130-M433 HydrophobicContact CG-SD 4.09Å; N131-M433 HydrophobicContact CB-CE 3.87Å; N131-M433 HydrophobicContact CB-SD 4.37Å; W206-M433 HydrophobicContact CH2-CE 4.19Å; L209-M433 HydrophobicContact CD1-CB 3.67Å; L209-M433 HydrophobicContact CD2-CB 4.14Å; L209-M433 HydrophobicContact CD2-CE 3.43Å; L209-M433 VanDerWaalsContact CD2-CE 3.43Å; G429-M433 WeakPolarHBondContact O-CG 3.47Å; G429-M433 PolarHBondContact O-N 2.94Å; L430-M433 PolarHBondContact O-N 3.32Å; M433-G435 PolarHBondContact O-N 3.45Å; M433-S436 PolarHBondContact O-N 2.04Å; M433-I437 HydrophobicContact CE-CG1 4.46Å; M433-I437 WeakPolarHBondContact O-CB 3.38Å; M433-I437 WeakPolarHBondContact O-CG1 3.32Å; M433-I437 PolarHBondContact O-N 2.64Å |
| 434 | F | 94.4 | Very high | 93.4 | Very high | 4 Ų | 4 | 8 Ų | 8 | 2% | 0.018 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -59.1 | -44.4 | 174.8 | -64.3 | -18.8 | 0 | 0 | 0 | 112.7 | L209 C212 C213 T220 A223 T227 L430 S431 T432 E438 | L209-F434 HydrophobicContact CD1-CD1 3.93Å; L209-F434 HydrophobicContact CD1-CE1 4.13Å; C212-F434 HydrophobicContact CB-CD1 4.45Å; C212-F434 HydrophobicContact CB-CE1 3.35Å; C212-F434 HydrophobicContact CB-CZ 3.58Å; C213-F434 WeakPolarHBondContact SG-CD1 3.4Å; T220-F434 HydrophobicContact CG2-CB 3.65Å; T220-F434 HydrophobicContact CG2-CD1 4.45Å; T220-F434 HydrophobicContact CG2-CD2 3.63Å; T220-F434 HydrophobicContact CG2-CE2 4.35Å; T220-F434 HydrophobicContact CG2-CG 3.67Å; A223-F434 HydrophobicContact CB-CE2 3.89Å; A223-F434 HydrophobicContact CB-CZ 3.81Å; T227-F434 HydrophobicContact CG2-CE2 4.37Å; L430-F434 HydrophobicContact CD1-CE1 3.7Å; L430-F434 HydrophobicContact CD1-CZ 4.14Å; L430-F434 HydrophobicContact CD2-CE1 4.39Å; L430-F434 HydrophobicContact CD2-CZ 4Å; L430-F434 HydrophobicContact CG-CE1 3.65Å; L430-F434 HydrophobicContact CG-CE2 4.4Å; L430-F434 HydrophobicContact CG-CZ 3.58Å; L430-F434 VanDerWaalsContact O-CD1 3.27Å; L430-F434 WeakPolarHBondContact O-CD1 3.19Å; L430-F434 WeakPolarHBondContact O-CG 3.44Å; L430-F434 PolarHBondContact O-N 2.87Å; S431-F434 PolarHBondContact O-N 3.49Å; T432-F434 PolarHBondContact O-N 3.48Å; F434-E438 PolarHBondContact O-N 2.88Å; F434-E438 VanDerWaalsContact O-N 3.12Å |
| 435 | G | 92.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -73.6 | -34.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F49 T432 M433 E438 G439 | F49-G435 VanDerWaalsContact CD2-CA 3.47Å; F49-G435 VanDerWaalsContact CE2-C 3.44Å; T432-G435 PolarHBondContact O-N 3.28Å; T432-G435 VanDerWaalsContact O-N 3.13Å; M433-G435 PolarHBondContact O-N 3.45Å; G435-E438 PolarHBondContact O-N 3.25Å; G435-G439 PolarHBondContact O-N 3.02Å |
| 436 | S | 93.2 | Very high | 92.2 | Very high | 3 Ų | 3 | 13.4 Ų | 13.4 | 2% | 0.021 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -63.4 | -43.2 | 175 | -56.2 | 0 | 0 | 0 | 0 | 111.8 | T432 M433 G439 V440 | T432-S436 PolarHBondContact O-N 2.81Å; T432-S436 PolarHBondContact O-OG 3.3Å; M433-S436 PolarHBondContact O-N 2.04Å; S436-G439 PolarHBondContact O-N 2.98Å; S436-V440 PolarHBondContact O-N 3.43Å |
| 437 | I | 93.3 | Very high | 91.5 | Very high | 7 Ų | 7 | 14 Ų | 14 | 4% | 0.036 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -67.1 | -42.3 | 176.9 | -69.7 | -66.2 | 0 | 0 | 0 | 111.4 | W206 L209 C213 M433 G439 V440 I441 | W206-I437 HydrophobicContact CZ3-CD1 4.14Å; L209-I437 HydrophobicContact CD1-CG1 4.38Å; L209-I437 HydrophobicContact CD2-CD1 4.27Å; L209-I437 HydrophobicContact CD2-CG1 3.98Å; L209-I437 HydrophobicContact CG-CG1 4.37Å; C213-I437 HydrophobicContact CB-CG2 4.4Å; M433-I437 HydrophobicContact CE-CG1 4.46Å; M433-I437 WeakPolarHBondContact O-CB 3.38Å; M433-I437 WeakPolarHBondContact O-CG1 3.32Å; M433-I437 PolarHBondContact O-N 2.64Å; I437-G439 VanDerWaalsContact C-N 3.26Å; I437-G439 PolarHBondContact O-N 2.96Å; I437-V440 PolarHBondContact O-N 3.32Å; I437-I441 HydrophobicContact CG2-CD1 3.38Å; I437-I441 HydrophobicContact CG2-CG1 3.99Å; I437-I441 WeakPolarHBondContact O-CG1 3.02Å; I437-I441 PolarHBondContact O-N 3.08Å |
| 438 | E | 92.7 | Very high | 90.7 | Very high | 14 Ų | 14 | 20 Ų | 20 | 7% | 0.065 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61 | -38.1 | 174.3 | -171.3 | 68.6 | -169.8 | 0 | 0 | 111.4 | F290 Y293 F434 G435 V440 I441 A442 | F290-E438 HydrophobicContact CD1-CG 4.09Å; F290-E438 HydrophobicContact CE1-CB 3.83Å; F290-E438 HydrophobicContact CE1-CG 3.69Å; F290-E438 HydrophobicContact CZ-CB 4.06Å; F290-E438 HydrophobicContact CZ-CG 4.38Å; Y293-E438 PolarHBondContact OH-OE1 2.91Å; F434-E438 PolarHBondContact O-N 2.88Å; F434-E438 VanDerWaalsContact O-N 3.12Å; G435-E438 PolarHBondContact O-N 3.25Å; E438-V440 PolarHBondContact O-N 3.14Å; E438-V440 VanDerWaalsContact O-N 3.17Å; E438-I441 PolarHBondContact O-N 2.9Å; E438-A442 WeakPolarHBondContact O-CB 3.31Å; E438-A442 PolarHBondContact O-N 3.36Å |
| 439 | G | 91.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.1 | -17.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | G435 S436 I437 P443 | G435-G439 PolarHBondContact O-N 3.02Å; S436-G439 PolarHBondContact O-N 2.98Å; I437-G439 VanDerWaalsContact C-N 3.26Å; I437-G439 PolarHBondContact O-N 2.96Å; G439-P443 VanDerWaalsContact O-CD 3.29Å; G439-P443 WeakPolarHBondContact O-CD 3.28Å; G439-P443 VanDerWaalsContact O-CG 3.22Å; G439-P443 WeakPolarHBondContact O-CG 3.15Å |
| 440 | V | 93.9 | Very high | 89 | Confident | 8 Ų | 8 | 28.6 Ų | 28.6 | 5% | 0.048 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -99.1 | -48.5 | 173.9 | 179 | 0 | 0 | 0 | 0 | 111.4 | M120 F124 S436 I437 E438 P443 L444 T463 | M120-V440 HydrophobicContact CG-CG1 4.48Å; F124-V440 HydrophobicContact CB-CG2 3.91Å; S436-V440 PolarHBondContact O-N 3.43Å; I437-V440 PolarHBondContact O-N 3.32Å; E438-V440 PolarHBondContact O-N 3.14Å; E438-V440 VanDerWaalsContact O-N 3.17Å; V440-P443 WeakPolarHBondContact O-CD 3.24Å; V440-L444 HydrophobicContact CG1-CD1 3.79Å; V440-L444 HydrophobicContact CG1-CG 4.49Å; V440-L444 VanDerWaalsContact O-CG 3.3Å; V440-L444 WeakPolarHBondContact O-CG 3.45Å; V440-L444 PolarHBondContact O-N 2.92Å; V440-T463 HydrophobicContact CB-CG2 4.48Å; V440-T463 HydrophobicContact CG1-CG2 3.76Å |
| 441 | I | 91 | Very high | 88.3 | Confident | 13 Ų | 13 | 31.1 Ų | 31.1 | 7% | 0.067 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.3 | -45.9 | -174.4 | -66.2 | 178.4 | 0 | 0 | 0 | 111.3 | I437 E438 L444 L445 | I437-I441 HydrophobicContact CG2-CD1 3.38Å; I437-I441 HydrophobicContact CG2-CG1 3.99Å; I437-I441 WeakPolarHBondContact O-CG1 3.02Å; I437-I441 PolarHBondContact O-N 3.08Å; E438-I441 PolarHBondContact O-N 2.9Å; I441-L444 PolarHBondContact O-N 3.07Å; I441-L445 HydrophobicContact CG2-CD1 3.89Å; I441-L445 HydrophobicContact CG2-CG 4.32Å; I441-L445 WeakPolarHBondContact O-CG 3.36Å; I441-L445 PolarHBondContact O-N 2.87Å |
| 442 | A | 89.3 | Confident | 87.2 | Confident | 8 Ų | 8 | 40.9 Ų | 40.9 | 7% | 0.066 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.6 | -47.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E438 L444 L445 D446 | E438-A442 WeakPolarHBondContact O-CB 3.31Å; E438-A442 PolarHBondContact O-N 3.36Å; A442-L444 PolarHBondContact O-N 3.06Å; A442-L445 PolarHBondContact O-N 3.03Å; A442-D446 PolarHBondContact O-N 3.13Å; A442-D446 VanDerWaalsContact O-N 3.08Å |
| 443 | P | 89.7 | Confident | 86.5 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.1 | -39.3 | 171.1 | -32.7 | 42.1 | 0 | 0 | 0 | 115.3 | V102 M120 G439 V440 L445 D446 L447 | V102-P443 HydrophobicContact CB-CB 4.24Å; V102-P443 HydrophobicContact CG2-CB 3.71Å; V102-P443 HydrophobicContact CG2-CG 4.39Å; M120-P443 HydrophobicContact CB-CB 4.09Å; M120-P443 HydrophobicContact CB-CG 4.3Å; M120-P443 HydrophobicContact CG-CB 4Å; M120-P443 HydrophobicContact CG-CG 4.46Å; M120-P443 HydrophobicContact SD-CB 3.84Å; G439-P443 VanDerWaalsContact O-CD 3.29Å; G439-P443 WeakPolarHBondContact O-CD 3.28Å; G439-P443 VanDerWaalsContact O-CG 3.22Å; G439-P443 WeakPolarHBondContact O-CG 3.15Å; V440-P443 WeakPolarHBondContact O-CD 3.24Å; P443-L445 VanDerWaalsContact C-N 3.32Å; P443-L445 PolarHBondContact O-N 3.2Å; P443-D446 PolarHBondContact O-N 2.9Å; P443-L447 WeakPolarHBondContact O-CB 3.08Å; P443-L447 WeakPolarHBondContact O-CG 3.45Å; P443-L447 PolarHBondContact O-N 2.85Å |
| 444 | L | 88.6 | Confident | 86 | Confident | 40 Ų | 40 | 50.4 Ų | 50.4 | 21% | 0.209 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.6 | -40.3 | 178 | -78.4 | 172.6 | 0 | 0 | 0 | 111.9 | M120 V440 I441 A442 L447 | M120-L444 HydrophobicContact SD-CD2 4.04Å; M120-L444 HydrophobicContact SD-CG 4.03Å; V440-L444 HydrophobicContact CG1-CD1 3.79Å; V440-L444 HydrophobicContact CG1-CG 4.49Å; V440-L444 VanDerWaalsContact O-CG 3.3Å; V440-L444 WeakPolarHBondContact O-CG 3.45Å; V440-L444 PolarHBondContact O-N 2.92Å; I441-L444 PolarHBondContact O-N 3.07Å; A442-L444 PolarHBondContact O-N 3.06Å; L444-L447 PolarHBondContact O-N 3.45Å |
| 445 | L | 84.9 | Confident | 85.7 | Confident | 64 Ų | 64 | 53.4 Ų | 53.4 | 34% | 0.335 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.7 | -41.9 | 174.4 | -68.7 | 172.2 | 0 | 0 | 0 | 111.7 | I441 A442 P443 L447 K448 I459 | I441-L445 HydrophobicContact CG2-CD1 3.89Å; I441-L445 HydrophobicContact CG2-CG 4.32Å; I441-L445 WeakPolarHBondContact O-CG 3.36Å; I441-L445 PolarHBondContact O-N 2.87Å; A442-L445 PolarHBondContact O-N 3.03Å; P443-L445 VanDerWaalsContact C-N 3.32Å; P443-L445 PolarHBondContact O-N 3.2Å; L445-L447 VanDerWaalsContact C-N 3.35Å; L445-L447 PolarHBondContact O-N 2.92Å; L445-K448 PolarHBondContact O-N 3.1Å; L445-I459 HydrophobicContact CD2-CD1 3.46Å; L445-I459 VanDerWaalsContact CD2-CD1 3.46Å |
| 446 | D | 81.4 | Confident | 85.2 | Confident | 53 Ų | 53 | 58.1 Ų | 58.1 | 28% | 0.283 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.9 | -34.3 | 178.6 | -82.8 | -13.2 | 0 | 0 | 0 | 113.1 | G100 G103 A442 P443 K448 | G100-D446 WeakPolarHBondContact CA-OD2 3.45Å; G100-D446 PolarHBondContact N-OD2 2.82Å; G100-D446 VanDerWaalsContact N-OD2 3.14Å; G103-D446 PolarHBondContact N-OD2 3.37Å; A442-D446 PolarHBondContact O-N 3.13Å; A442-D446 VanDerWaalsContact O-N 3.08Å; P443-D446 PolarHBondContact O-N 2.9Å; D446-K448 PolarHBondContact O-N 2.82Å |
| 447 | L | 81.2 | Confident | 85 | Confident | 41 Ų | 41 | 60.9 Ų | 60.9 | 22% | 0.215 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -72 | -15.4 | -179.4 | -77.8 | 171 | 0 | 0 | 0 | 113.5 | V102 M120 P443 L444 L445 L449 | V102-L447 HydrophobicContact CG1-CD2 3.75Å; V102-L447 HydrophobicContact CG1-CG 4.01Å; M120-L447 HydrophobicContact SD-CD1 4.29Å; P443-L447 WeakPolarHBondContact O-CB 3.08Å; P443-L447 WeakPolarHBondContact O-CG 3.45Å; P443-L447 PolarHBondContact O-N 2.85Å; L444-L447 PolarHBondContact O-N 3.45Å; L445-L447 VanDerWaalsContact C-N 3.35Å; L445-L447 PolarHBondContact O-N 2.92Å; L447-L449 HydrophobicContact CB-CD1 4.04Å; L447-L449 HydrophobicContact CB-CG 3.95Å; L447-L449 HydrophobicContact CD1-CD1 4.14Å; L447-L449 PolarHBondContact O-N 3.43Å; L447-L449 VanDerWaalsContact O-N 3.14Å |
| 448 | K | 79.2 | Confident | 84.9 | Confident | 137 Ų | 137 | 63.8 Ų | 63.8 | 60% | 0.596 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 30.8 | -179.4 | -56.7 | -179 | -175.3 | 178.6 | 0 | 113.7 | L445 D446 L450 R452 | L445-K448 PolarHBondContact O-N 3.1Å; D446-K448 PolarHBondContact O-N 2.82Å; K448-L450 VanDerWaalsContact C-N 3.34Å; K448-R452 VanDerWaalsContact NZ-NH2 3.13Å |
| 449 | L | 75 | Confident | 84.8 | Confident | 131 Ų | 131 | 63.4 Ų | 63.4 | 69% | 0.686 | 32% | 0.319 | S | S | * | . | trans | -74.4 | -28.1 | 177.8 | -68.4 | 171.6 | 0 | 0 | 0 | 112.1 | L447 | L447-L449 HydrophobicContact CB-CD1 4.04Å; L447-L449 HydrophobicContact CB-CG 3.95Å; L447-L449 HydrophobicContact CD1-CD1 4.14Å; L447-L449 PolarHBondContact O-N 3.43Å; L447-L449 VanDerWaalsContact O-N 3.14Å | ||
| 450 | L | 79.3 | Confident | 84.7 | Confident | 53 Ų | 53 | 63.5 Ų | 63.5 | 28% | 0.277 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -96 | 152.5 | 179.4 | -63.2 | 175.7 | 0 | 0 | 0 | 111.2 | K448 R452 W454 I459 | K448-L450 VanDerWaalsContact C-N 3.34Å; L450-R452 PolarHBondContact O-N 3.22Å; L450-W454 HydrophobicContact CD2-CE3 4.49Å; L450-W454 HydrophobicContact CD2-CZ3 4.16Å; L450-I459 HydrophobicContact CD1-CD1 4.13Å; L450-I459 HydrophobicContact CD1-CG1 3.89Å; L450-I459 HydrophobicContact CD1-CG2 4.04Å |
| 451 | P | 79.3 | Confident | 84.6 | Confident | 62 Ų | 62 | 64.1 Ų | 64.1 | 40% | 0.403 | 33% | 0.327 | S | S | . | . | trans | -56.3 | 130.9 | 176.2 | -21.6 | 32.3 | 0 | 0 | 0 | 110.9 | S453 W454 | P451-S453 PolarHBondContact O-N 3.23Å; P451-W454 HydrophobicContact CB-CG 4.41Å; P451-W454 HydrophobicContact CG-CD2 4.42Å; P451-W454 HydrophobicContact CG-CZ2 4.47Å; P451-W454 PolarHBondContact O-N 3.02Å | ||
| 452 | R | 72.3 | Confident | 84.7 | Confident | 208 Ų | 208 | 66.6 Ų | 66.6 | 79% | 0.785 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -16.4 | 177.1 | -77.6 | 178.5 | 165.4 | 179 | -14.3 | 114.2 | K448 L450 W454 | K448-R452 VanDerWaalsContact NZ-NH2 3.13Å; L450-R452 PolarHBondContact O-N 3.22Å; R452-W454 VanDerWaalsContact C-N 3.27Å |
| 453 | S | 78.8 | Confident | 84.9 | Confident | 101 Ų | 101 | 66.8 Ų | 66.8 | 71% | 0.706 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -14 | 177.1 | 52.5 | 0 | 0 | 0 | 0 | 113.4 | P451 | P451-S453 PolarHBondContact O-N 3.23Š|
| 454 | W | 84.9 | Confident | 85.1 | Confident | 111 Ų | 111 | 67 Ų | 67 | 42% | 0.42 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -79.4 | 128.1 | -178.6 | -72.7 | 13.8 | 0 | 0 | 0 | 110.5 | L450 P451 R452 V458 I459 L462 | L450-W454 HydrophobicContact CD2-CE3 4.49Å; L450-W454 HydrophobicContact CD2-CZ3 4.16Å; P451-W454 HydrophobicContact CB-CG 4.41Å; P451-W454 HydrophobicContact CG-CD2 4.42Å; P451-W454 HydrophobicContact CG-CZ2 4.47Å; P451-W454 PolarHBondContact O-N 3.02Å; R452-W454 VanDerWaalsContact C-N 3.27Å; W454-V458 HydrophobicContact CD2-CG1 4.33Å; W454-V458 HydrophobicContact CE3-CG1 3.98Å; W454-V458 HydrophobicContact CZ3-CG1 4.48Å; W454-I459 HydrophobicContact CB-CG1 4.49Å; W454-L462 HydrophobicContact CZ3-CD2 4.1Å |
| 455 | P | 86.8 | Confident | 85.4 | Confident | 68 Ų | 68 | 71.7 Ų | 71.7 | 44% | 0.442 | 36% | 0.361 | S | S | . | . | trans | -74.3 | 157 | 178.8 | 37.2 | -39.1 | 0 | 0 | 0 | 109.8 | E457 V458 I459 | P455-E457 VanDerWaalsContact CB-OE2 3.31Å; P455-E457 WeakPolarHBondContact CB-OE2 3.33Å; P455-E457 PolarHBondContact O-N 3.47Å; P455-V458 HydrophobicContact CG-CB 4.23Å; P455-V458 HydrophobicContact CG-CG2 3.66Å; P455-V458 PolarHBondContact O-N 3.16Å; P455-I459 PolarHBondContact O-N 3.28Å | ||
| 456 | K | 83 | Confident | 85.9 | Confident | 98 Ų | 98 | 72.2 Ų | 72.2 | 43% | 0.426 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.7 | -32.9 | -173.6 | -69.9 | -179.1 | -179.6 | 175.9 | 0 | 112.2 | V458 I459 S460 | K456-V458 VanDerWaalsContact C-N 3.26Å; K456-V458 PolarHBondContact O-N 2.99Å; K456-I459 PolarHBondContact O-N 2.96Å; K456-S460 WeakPolarHBondContact O-CB 3.46Å; K456-S460 PolarHBondContact O-N 2.88Å |
| 457 | E | 89.5 | Confident | 86.5 | Confident | 62 Ų | 62 | 69.9 Ų | 69.9 | 29% | 0.29 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.5 | -36.9 | 178 | -61.5 | 83.7 | 165.9 | 0 | 0 | 112 | Y210 I214 R215 P455 G461 | Y210-E457 PolarHBondContact OH-O 3.25Å; I214-E457 HydrophobicContact CG1-CB 4.13Å; I214-E457 HydrophobicContact CG1-CG 3.84Å; I214-E457 WeakPolarHBondContact O-CA 3.36Å; I214-E457 WeakPolarHBondContact O-CG 3.22Å; R215-E457 HydrophobicContact CG-CG 4.46Å; P455-E457 VanDerWaalsContact CB-OE2 3.31Å; P455-E457 WeakPolarHBondContact CB-OE2 3.33Å; P455-E457 PolarHBondContact O-N 3.47Å; E457-G461 PolarHBondContact O-N 3.42Å |
| 458 | V | 90.8 | Very high | 87.2 | Confident | 67 Ų | 67 | 69.4 Ų | 69.4 | 41% | 0.406 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -74.5 | -39.3 | 178.8 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | W454 P455 K456 G461 L462 | W454-V458 HydrophobicContact CD2-CG1 4.33Å; W454-V458 HydrophobicContact CE3-CG1 3.98Å; W454-V458 HydrophobicContact CZ3-CG1 4.48Å; P455-V458 HydrophobicContact CG-CB 4.23Å; P455-V458 HydrophobicContact CG-CG2 3.66Å; P455-V458 PolarHBondContact O-N 3.16Å; K456-V458 VanDerWaalsContact C-N 3.26Å; K456-V458 PolarHBondContact O-N 2.99Å; V458-G461 PolarHBondContact O-N 3.02Å; V458-L462 VanDerWaalsContact O-CB 3.3Å; V458-L462 WeakPolarHBondContact O-CB 3.29Å; V458-L462 PolarHBondContact O-N 3.08Å |
| 459 | I | 90 | Very high | 88 | Confident | 7 Ų | 7 | 65.4 Ų | 65.4 | 4% | 0.036 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.5 | -44.7 | 178.7 | -61.3 | 174.2 | 0 | 0 | 0 | 110.2 | L445 L450 W454 P455 K456 L462 T463 | L445-I459 HydrophobicContact CD2-CD1 3.46Å; L445-I459 VanDerWaalsContact CD2-CD1 3.46Å; L450-I459 HydrophobicContact CD1-CD1 4.13Å; L450-I459 HydrophobicContact CD1-CG1 3.89Å; L450-I459 HydrophobicContact CD1-CG2 4.04Å; W454-I459 HydrophobicContact CB-CG1 4.49Å; P455-I459 PolarHBondContact O-N 3.28Å; K456-I459 PolarHBondContact O-N 2.96Å; I459-L462 PolarHBondContact O-N 2.69Å; I459-T463 WeakPolarHBondContact O-CB 3.36Å; I459-T463 PolarHBondContact O-N 3.5Å; I459-T463 PolarHBondContact O-OG1 2.89Å |
| 460 | S | 90.1 | Very high | 89 | Confident | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.014 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.4 | -47.5 | 173.7 | -175.5 | 0 | 0 | 0 | 0 | 111.7 | K456 L462 T463 C464 | K456-S460 WeakPolarHBondContact O-CB 3.46Å; K456-S460 PolarHBondContact O-N 2.88Å; S460-L462 PolarHBondContact O-N 3.02Å; S460-T463 PolarHBondContact O-N 3.08Å; S460-C464 PolarHBondContact O-N 3.12Å; S460-C464 PolarHBondContact O-SG 3.32Å |
| 461 | G | 92.5 | Very high | 89.7 | Confident | 20 Ų | 20 | 61 Ų | 61 | 21% | 0.206 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.4 | -42.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | E457 V458 T463 C464 F465 | E457-G461 PolarHBondContact O-N 3.42Å; V458-G461 PolarHBondContact O-N 3.02Å; G461-T463 VanDerWaalsContact C-N 3.34Å; G461-T463 PolarHBondContact O-N 3.26Å; G461-C464 PolarHBondContact O-N 2.96Å; G461-F465 VanDerWaalsContact O-CB 3.31Å; G461-F465 WeakPolarHBondContact O-CB 3.4Å; G461-F465 PolarHBondContact O-N 2.91Å |
| 462 | L | 92.9 | Very high | 90.5 | Very high | 65 Ų | 65 | 60.6 Ų | 60.6 | 34% | 0.34 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.9 | -40.5 | 175.8 | -179 | 61.5 | 0 | 0 | 0 | 111.7 | W454 V458 I459 S460 F465 I466 | W454-L462 HydrophobicContact CZ3-CD2 4.1Å; V458-L462 VanDerWaalsContact O-CB 3.3Å; V458-L462 WeakPolarHBondContact O-CB 3.29Å; V458-L462 PolarHBondContact O-N 3.08Å; I459-L462 PolarHBondContact O-N 2.69Å; S460-L462 PolarHBondContact O-N 3.02Å; L462-F465 PolarHBondContact O-N 3.32Å; L462-I466 HydrophobicContact CD1-CD1 3.99Å; L462-I466 HydrophobicContact CD1-CG1 4.21Å; L462-I466 HydrophobicContact CG-CD1 3.9Å; L462-I466 VanDerWaalsContact O-CG1 3.28Å; L462-I466 WeakPolarHBondContact O-CG1 3.22Å; L462-I466 PolarHBondContact O-N 3.1Å |
| 463 | T | 92.2 | Very high | 91.6 | Very high | 12 Ų | 12 | 53.1 Ų | 53.1 | 7% | 0.074 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.5 | -49.5 | 178.2 | -56 | 0 | 0 | 0 | 0 | 110.1 | V440 I459 S460 G461 F465 I466 S467 | V440-T463 HydrophobicContact CB-CG2 4.48Å; V440-T463 HydrophobicContact CG1-CG2 3.76Å; I459-T463 WeakPolarHBondContact O-CB 3.36Å; I459-T463 PolarHBondContact O-N 3.5Å; I459-T463 PolarHBondContact O-OG1 2.89Å; S460-T463 PolarHBondContact O-N 3.08Å; G461-T463 VanDerWaalsContact C-N 3.34Å; G461-T463 PolarHBondContact O-N 3.26Å; T463-F465 VanDerWaalsContact C-N 3.31Å; T463-F465 PolarHBondContact O-N 3.18Å; T463-I466 PolarHBondContact O-N 2.99Å; T463-S467 WeakPolarHBondContact O-CB 3.39Å; T463-S467 PolarHBondContact O-N 3.27Å; T463-S467 PolarHBondContact O-OG 3.06Å; T463-S467 VanDerWaalsContact O-OG 3.1Å |
| 464 | C | 94.3 | Very high | 92.4 | Very high | 6 Ų | 6 | 48.5 Ų | 48.5 | 4% | 0.041 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.9 | -40.2 | 176 | -64.9 | 0 | 0 | 0 | 0 | 112.1 | W206 S460 G461 S467 L468 | W206-C464 HydrophobicContact CE3-CB 3.82Å; W206-C464 HydrophobicContact CZ3-CB 4.24Å; S460-C464 PolarHBondContact O-N 3.12Å; S460-C464 PolarHBondContact O-SG 3.32Å; G461-C464 PolarHBondContact O-N 2.96Å; C464-S467 PolarHBondContact O-N 3.14Å; C464-L468 VanDerWaalsContact O-CB 3.3Å; C464-L468 WeakPolarHBondContact O-CB 3.21Å; C464-L468 PolarHBondContact O-N 3.21Å |
| 465 | F | 95 | Very high | 92.9 | Very high | 137 Ų | 137 | 43.4 Ų | 43.4 | 60% | 0.601 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -65.9 | -44.2 | 178.4 | -179.7 | -99.2 | 0 | 0 | 0 | 112.6 | G461 L462 T463 L468 A469 | G461-F465 VanDerWaalsContact O-CB 3.31Å; G461-F465 WeakPolarHBondContact O-CB 3.4Å; G461-F465 PolarHBondContact O-N 2.91Å; L462-F465 PolarHBondContact O-N 3.32Å; T463-F465 VanDerWaalsContact C-N 3.31Å; T463-F465 PolarHBondContact O-N 3.18Å; F465-L468 PolarHBondContact O-N 3.22Å; F465-A469 PolarHBondContact O-N 2.87Å |
| 466 | I | 95.1 | Very high | 93.4 | Very high | 76 Ų | 76 | 41.8 Ų | 41.8 | 39% | 0.39 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.6 | -44.4 | 175.9 | -67.8 | 168 | 0 | 0 | 0 | 110 | F124 L462 T463 L468 A469 L470 | F124-I466 HydrophobicContact CE2-CG2 4.3Å; F124-I466 HydrophobicContact CZ-CG2 4.03Å; L462-I466 HydrophobicContact CD1-CD1 3.99Å; L462-I466 HydrophobicContact CD1-CG1 4.21Å; L462-I466 HydrophobicContact CG-CD1 3.9Å; L462-I466 VanDerWaalsContact O-CG1 3.28Å; L462-I466 WeakPolarHBondContact O-CG1 3.22Å; L462-I466 PolarHBondContact O-N 3.1Å; T463-I466 PolarHBondContact O-N 2.99Å; I466-L468 PolarHBondContact O-N 3.42Å; I466-A469 PolarHBondContact O-N 2.96Å; I466-L470 PolarHBondContact O-N 2.91Å |
| 467 | S | 95 | Very high | 93.9 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.2 | -38.5 | 177.4 | -63.3 | 0 | 0 | 0 | 0 | 112.4 | F124 T463 C464 L470 G471 | F124-S467 WeakPolarHBondContact CE2-OG 3.36Å; T463-S467 WeakPolarHBondContact O-CB 3.39Å; T463-S467 PolarHBondContact O-N 3.27Å; T463-S467 PolarHBondContact O-OG 3.06Å; T463-S467 VanDerWaalsContact O-OG 3.1Å; C464-S467 PolarHBondContact O-N 3.14Å; S467-L470 PolarHBondContact O-N 3.49Å; S467-G471 PolarHBondContact O-N 2.79Å |
| 468 | L | 95.6 | Very high | 94.2 | Very high | 32 Ų | 32 | 38 Ų | 38 | 17% | 0.168 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.3 | -46.4 | 172.2 | 170.7 | 64.8 | 0 | 0 | 0 | 111.5 | L202 I203 W206 C464 F465 I466 L470 G471 L472 | L202-L468 HydrophobicContact CB-CD1 4.48Å; L202-L468 HydrophobicContact CD2-CD1 3.87Å; L202-L468 HydrophobicContact CG-CD1 3.73Å; I203-L468 HydrophobicContact CG1-CD1 4.17Å; I203-L468 HydrophobicContact CG1-CD2 4.24Å; W206-L468 VanDerWaalsContact CD1-CD1 3.46Å; W206-L468 HydrophobicContact CD2-CB 4.34Å; W206-L468 HydrophobicContact CG-CB 3.94Å; W206-L468 HydrophobicContact CG-CD1 4.17Å; C464-L468 VanDerWaalsContact O-CB 3.3Å; C464-L468 WeakPolarHBondContact O-CB 3.21Å; C464-L468 PolarHBondContact O-N 3.21Å; F465-L468 PolarHBondContact O-N 3.22Å; I466-L468 PolarHBondContact O-N 3.42Å; L468-L470 VanDerWaalsContact C-N 3.34Å; L468-L470 PolarHBondContact O-N 2.73Å; L468-G471 PolarHBondContact O-N 3.34Å; L468-G471 VanDerWaalsContact O-N 3.13Å; L468-L472 PolarHBondContact O-N 3.32Å |
| 469 | A | 96.3 | Very high | 94.3 | Very high | 53 Ų | 53 | 34.9 Ų | 34.9 | 44% | 0.438 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.9 | -41.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F465 I466 | F465-A469 PolarHBondContact O-N 2.87Å; I466-A469 PolarHBondContact O-N 2.96Å |
| 470 | L | 95 | Very high | 94.4 | Very high | 90 Ų | 90 | 35.7 Ų | 35.7 | 47% | 0.471 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -68.7 | -36.8 | 173.1 | -66.7 | -178 | 0 | 0 | 0 | 112.2 | F124 V128 I466 S467 L468 L472 I473 | F124-L470 HydrophobicContact CE1-CD1 3.47Å; F124-L470 VanDerWaalsContact CE1-CD1 3.47Å; F124-L470 HydrophobicContact CZ-CD1 3.39Å; V128-L470 HydrophobicContact CG1-CB 4.1Å; I466-L470 PolarHBondContact O-N 2.91Å; S467-L470 PolarHBondContact O-N 3.49Å; L468-L470 VanDerWaalsContact C-N 3.34Å; L468-L470 PolarHBondContact O-N 2.73Å; L470-L472 PolarHBondContact O-N 2.82Å; L470-I473 VanDerWaalsContact O-CG2 3.24Å; L470-I473 WeakPolarHBondContact O-CG2 3.38Å; L470-I473 PolarHBondContact O-N 3.13Å |
| 471 | G | 95 | Very high | 94.5 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.4 | -16.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | S467 L468 I473 F474 | S467-G471 PolarHBondContact O-N 2.79Å; L468-G471 PolarHBondContact O-N 3.34Å; L468-G471 VanDerWaalsContact O-N 3.13Å; G471-I473 PolarHBondContact O-N 3.41Å; G471-I473 VanDerWaalsContact O-N 3.15Å; G471-F474 WeakPolarHBondContact O-CD2 3.42Å; G471-F474 PolarHBondContact O-N 3.46Å |
| 472 | L | 96.1 | Very high | 94.6 | Very high | 55 Ų | 55 | 36 Ų | 36 | 29% | 0.288 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -59.3 | -24.6 | 175.3 | -67.9 | 176.1 | 0 | 0 | 0 | 113.1 | L194 V199 L202 L468 L470 F474 A475 | L194-L472 HydrophobicContact CD2-CB 4.29Å; L194-L472 VanDerWaalsContact CD2-O 3.28Å; L194-L472 WeakPolarHBondContact CD2-O 3.48Å; V199-L472 HydrophobicContact CG1-CD2 4.07Å; V199-L472 HydrophobicContact CG2-CD2 4.11Å; L202-L472 HydrophobicContact CD2-CD2 4.35Å; L468-L472 PolarHBondContact O-N 3.32Å; L470-L472 PolarHBondContact O-N 2.82Å; L472-F474 PolarHBondContact O-N 3.12Å; L472-A475 PolarHBondContact O-N 3.48Å |
| 473 | I | 95.4 | Very high | 94.6 | Very high | 51 Ų | 51 | 33.1 Ų | 33.1 | 26% | 0.262 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -58.7 | -32 | 174.4 | -163.1 | 173.4 | 0 | 0 | 0 | 111.9 | L470 G471 A475 L476 W482 | L470-I473 VanDerWaalsContact O-CG2 3.24Å; L470-I473 WeakPolarHBondContact O-CG2 3.38Å; L470-I473 PolarHBondContact O-N 3.13Å; G471-I473 PolarHBondContact O-N 3.41Å; G471-I473 VanDerWaalsContact O-N 3.15Å; I473-A475 VanDerWaalsContact C-N 3.3Å; I473-A475 PolarHBondContact O-N 3.33Å; I473-L476 HydrophobicContact CG1-CD1 4.04Å; I473-L476 WeakPolarHBondContact O-CB 3.44Å; I473-L476 WeakPolarHBondContact O-CD1 3.46Å; I473-L476 WeakPolarHBondContact O-CG 3.45Å; I473-L476 PolarHBondContact O-N 3.46Å; I473-W482 HydrophobicContact CD1-CD2 3.84Å; I473-W482 HydrophobicContact CD1-CE3 4.1Å; I473-W482 HydrophobicContact CD1-CG 4.25Å; I473-W482 HydrophobicContact CD1-CH2 4.28Å; I473-W482 HydrophobicContact CD1-CZ2 4.09Å; I473-W482 HydrophobicContact CD1-CZ3 4.32Å; I473-W482 HydrophobicContact CG1-CD2 4.32Å; I473-W482 HydrophobicContact CG1-CG 4.24Å |
| 474 | F | 95.6 | Very high | 94.5 | Very high | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.018 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -82.8 | -8.3 | -179.6 | -50.8 | -63.9 | 0 | 0 | 0 | 113.4 | V128 T132 G471 L472 L476 W482 L483 F486 | V128-F474 HydrophobicContact CG1-CD2 4.49Å; V128-F474 HydrophobicContact CG1-CE2 3.75Å; T132-F474 HydrophobicContact CG2-CB 3.43Å; T132-F474 VanDerWaalsContact CG2-CB 3.43Å; T132-F474 HydrophobicContact CG2-CD2 4.4Å; T132-F474 HydrophobicContact CG2-CG 4.18Å; T132-F474 WeakPolarHBondContact OG1-CD2 3.11Å; G471-F474 WeakPolarHBondContact O-CD2 3.42Å; G471-F474 PolarHBondContact O-N 3.46Å; L472-F474 PolarHBondContact O-N 3.12Å; F474-L476 VanDerWaalsContact C-N 3.34Å; F474-W482 HydrophobicContact CD1-CB 3.81Å; F474-W482 HydrophobicContact CE1-CB 3.87Å; F474-L483 HydrophobicContact CD1-CB 4Å; F474-L483 HydrophobicContact CE1-CB 4.34Å; F474-F486 HydrophobicContact CE1-CD1 4.46Å; F474-F486 AromaticContact CE1-CD2 4Å; F474-F486 HydrophobicContact CE1-CD2 4Å; F474-F486 HydrophobicContact CE1-CE2 4.25Å; F474-F486 HydrophobicContact CE1-CG 4.09Å; F474-F486 HydrophobicContact CZ-CB 4.43Å; F474-F486 AromaticContact CZ-CD1 3.77Å; F474-F486 HydrophobicContact CZ-CD1 3.77Å; F474-F486 HydrophobicContact CZ-CD2 4.08Å; F474-F486 AromaticContact CZ-CE1 3.9Å; F474-F486 HydrophobicContact CZ-CE1 3.9Å; F474-F486 HydrophobicContact CZ-CE2 4.2Å; F474-F486 AromaticContact CZ-CG 3.84Å; F474-F486 HydrophobicContact CZ-CG 3.84Å; F474-F486 HydrophobicContact CZ-CZ 4.1Å |
| 475 | A | 95.8 | Very high | 94.3 | Very high | 3 Ų | 3 | 34 Ų | 34 | 3% | 0.025 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -91.6 | 4.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113 | L194 Q195 M198 V199 L472 I473 | L194-A475 HydrophobicContact CD2-CB 4.25Å; Q195-A475 PolarHBondContact N-O 3.48Å; M198-A475 HydrophobicContact CB-CB 4.23Å; M198-A475 HydrophobicContact CG-CB 4.1Å; V199-A475 HydrophobicContact CG2-CB 3.83Å; L472-A475 PolarHBondContact O-N 3.48Å; I473-A475 VanDerWaalsContact C-N 3.3Å; I473-A475 PolarHBondContact O-N 3.33Å |
| 476 | L | 95.8 | Very high | 94.1 | Very high | 35 Ų | 35 | 28.4 Ų | 28.4 | 18% | 0.183 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -77 | 166.7 | 171.2 | -64.1 | 172 | 0 | 0 | 0 | 110.9 | L194 I473 F474 S478 G479 | L194-L476 HydrophobicContact CD2-CD2 3.7Å; L194-L476 HydrophobicContact CD2-CG 4.18Å; L194-L476 HydrophobicContact CG-CD2 4.04Å; I473-L476 HydrophobicContact CG1-CD1 4.04Å; I473-L476 WeakPolarHBondContact O-CB 3.44Å; I473-L476 WeakPolarHBondContact O-CD1 3.46Å; I473-L476 WeakPolarHBondContact O-CG 3.45Å; I473-L476 PolarHBondContact O-N 3.46Å; F474-L476 VanDerWaalsContact C-N 3.34Å; L476-S478 VanDerWaalsContact C-N 3.27Å; L476-S478 PolarHBondContact O-N 2.9Å; L476-G479 WeakPolarHBondContact O-CA 3.28Å; L476-G479 PolarHBondContact O-N 3.21Å |
| 477 | R | 94.9 | Very high | 93.7 | Very high | 81 Ų | 81 | 26.4 Ų | 26.4 | 31% | 0.306 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -32.9 | 176.1 | -66.3 | -172.8 | 62.1 | -158.4 | -7.8 | 112.5 | N183 T184 S185 S191 Q195 G479 | N183-R477 WeakPolarHBondContact O-CB 3.17Å; N183-R477 VanDerWaalsContact O-CG 3.29Å; N183-R477 WeakPolarHBondContact O-CG 3.41Å; N183-R477 PolarHBondContact O-NE 3Å; T184-R477 WeakPolarHBondContact CA-O 3.5Å; T184-R477 PolarHBondContact O-NH2 2.87Å; T184-R477 VanDerWaalsContact O-NH2 3.11Å; S185-R477 PolarHBondContact N-O 3.36Å; S191-R477 PolarHBondContact O-N 3.11Å; Q195-R477 VanDerWaalsContact NE2-CG 3.34Å; R477-G479 VanDerWaalsContact C-N 3.26Å; R477-G479 PolarHBondContact O-N 3.29Å |
| 478 | S | 94.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 9 | 171.7 | 66 | 0 | 0 | 0 | 0 | 113.8 | I188 S191 L476 N480 Y481 W482 | I188-S478 WeakPolarHBondContact O-CB 3.43Å; I188-S478 PolarHBondContact O-OG 3.45Å; S191-S478 WeakPolarHBondContact CA-OG 3.15Å; L476-S478 VanDerWaalsContact C-N 3.27Å; L476-S478 PolarHBondContact O-N 2.9Å; S478-N480 VanDerWaalsContact C-N 3.3Å; S478-N480 PolarHBondContact O-N 3.41Å; S478-Y481 WeakPolarHBondContact O-CB 3.41Å; S478-Y481 PolarHBondContact O-N 3.08Å; S478-Y481 VanDerWaalsContact O-N 3.07Å; S478-W482 PolarHBondContact O-N 3.41Å |
| 479 | G | 93.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.4 | -33.5 | -171 | 0 | 0 | 0 | 0 | 0 | 114.5 | L476 R477 Y481 W482 L483 | L476-G479 WeakPolarHBondContact O-CA 3.28Å; L476-G479 PolarHBondContact O-N 3.21Å; R477-G479 VanDerWaalsContact C-N 3.26Å; R477-G479 PolarHBondContact O-N 3.29Å; G479-Y481 VanDerWaalsContact C-N 3.34Å; G479-Y481 PolarHBondContact O-N 2.89Å; G479-W482 WeakPolarHBondContact O-CB 3.24Å; G479-W482 PolarHBondContact O-N 3.49Å; G479-L483 PolarHBondContact O-N 3.2Å |
| 480 | N | 91.8 | Very high | 92.2 | Very high | 25 Ų | 25 | 25.9 Ų | 25.9 | 13% | 0.134 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.8 | -38.7 | 175.6 | -176.6 | 46.5 | 0 | 0 | 0 | 112.3 | L182 S478 L483 A484 | L182-N480 HydrophobicContact CD1-CB 3.88Å; S478-N480 VanDerWaalsContact C-N 3.3Å; S478-N480 PolarHBondContact O-N 3.41Å; N480-L483 PolarHBondContact O-N 3.42Å; N480-A484 PolarHBondContact O-N 2.96Å |
| 481 | Y | 92.7 | Very high | 91.3 | Very high | 6 Ų | 6 | 21.6 Ų | 21.6 | 2% | 0.024 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -67.6 | -39.2 | 177.2 | -51.2 | -45.2 | 0 | 0 | 0 | 111.5 | T184 S185 I188 S478 G479 L483 A484 L485 Y561 L562 V563 W564 | T184-Y481 PolarHBondContact OG1-OH 3.06Å; T184-Y481 VanDerWaalsContact OG1-OH 3.11Å; S185-Y481 PolarHBondContact O-OH 3.36Å; I188-Y481 HydrophobicContact CB-CD2 4.34Å; S478-Y481 WeakPolarHBondContact O-CB 3.41Å; S478-Y481 PolarHBondContact O-N 3.08Å; S478-Y481 VanDerWaalsContact O-N 3.07Å; G479-Y481 VanDerWaalsContact C-N 3.34Å; G479-Y481 PolarHBondContact O-N 2.89Å; Y481-L483 VanDerWaalsContact C-N 3.34Å; Y481-A484 PolarHBondContact O-N 3.23Å; Y481-L485 PolarHBondContact O-N 2.81Å; Y481-Y561 AromaticContact CD1-CD2 3.86Å; Y481-Y561 HydrophobicContact CD1-CD2 3.86Å; Y481-Y561 HydrophobicContact CD1-CE2 4.12Å; Y481-Y561 HydrophobicContact CD2-CE2 4.3Å; Y481-Y561 HydrophobicContact CE1-CD2 4.33Å; Y481-Y561 HydrophobicContact CE1-CE2 4.44Å; Y481-Y561 HydrophobicContact CG-CD2 4.14Å; Y481-Y561 HydrophobicContact CG-CE2 4.07Å; Y481-L562 VanDerWaalsContact CE1-O 3.24Å; Y481-L562 WeakPolarHBondContact CE1-O 3.35Å; Y481-V563 HydrophobicContact CE1-CG2 4.37Å; Y481-W564 PolarHBondContact OH-N 3.21Å |
| 482 | W | 93.9 | Very high | 90.7 | Very high | 22 Ų | 22 | 22.1 Ų | 22.1 | 8% | 0.083 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.9 | -42.1 | 171.5 | -76.5 | 107.7 | 0 | 0 | 0 | 112.2 | I188 I473 F474 S478 G479 L485 F486 W582 M586 | I188-W482 HydrophobicContact CD1-CD2 4.4Å; I473-W482 HydrophobicContact CD1-CD2 3.84Å; I473-W482 HydrophobicContact CD1-CE3 4.1Å; I473-W482 HydrophobicContact CD1-CG 4.25Å; I473-W482 HydrophobicContact CD1-CH2 4.28Å; I473-W482 HydrophobicContact CD1-CZ2 4.09Å; I473-W482 HydrophobicContact CD1-CZ3 4.32Å; I473-W482 HydrophobicContact CG1-CD2 4.32Å; I473-W482 HydrophobicContact CG1-CG 4.24Å; F474-W482 HydrophobicContact CD1-CB 3.81Å; F474-W482 HydrophobicContact CE1-CB 3.87Å; S478-W482 PolarHBondContact O-N 3.41Å; G479-W482 WeakPolarHBondContact O-CB 3.24Å; G479-W482 PolarHBondContact O-N 3.49Å; W482-L485 HydrophobicContact CE3-CD2 4.1Å; W482-L485 HydrophobicContact CZ3-CD2 4.14Å; W482-L485 PolarHBondContact O-N 2.87Å; W482-F486 HydrophobicContact CE3-CE2 4.11Å; W482-F486 WeakPolarHBondContact O-CD2 3.45Å; W482-F486 PolarHBondContact O-N 2.76Å; W482-W582 AromaticContact CH2-CH2 3.49Å; W482-W582 HydrophobicContact CH2-CH2 3.49Å; W482-W582 VanDerWaalsContact CH2-CH2 3.49Å; W482-W582 AromaticContact CH2-CZ3 3.41Å; W482-W582 HydrophobicContact CH2-CZ3 3.41Å; W482-W582 VanDerWaalsContact CH2-CZ3 3.41Å; W482-W582 AromaticContact CZ2-CH2 3.51Å; W482-W582 HydrophobicContact CZ2-CH2 3.51Å; W482-W582 AromaticContact CZ2-CZ3 3.93Å; W482-W582 HydrophobicContact CZ2-CZ3 3.93Å; W482-W582 HydrophobicContact CZ3-CH2 4.4Å; W482-W582 HydrophobicContact CZ3-CZ3 4.21Å; W482-M586 HydrophobicContact CH2-CE 4.1Å; W482-M586 HydrophobicContact CH2-CG 4.31Å; W482-M586 HydrophobicContact CZ3-CE 3.81Å; W482-M586 HydrophobicContact CZ3-CG 4.23Å |
| 483 | L | 93 | Very high | 90.1 | Very high | 5 Ų | 5 | 20.6 Ų | 20.6 | 3% | 0.026 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64 | -45 | 178.9 | -170.2 | 139.3 | 0 | 0 | 0 | 111.5 | Y129 T132 I133 W136 F474 G479 N480 Y481 L485 F486 D487 | Y129-L483 HydrophobicContact CD2-CD2 4.49Å; Y129-L483 HydrophobicContact CD2-CG 4.25Å; T132-L483 HydrophobicContact CG2-CD1 4Å; I133-L483 HydrophobicContact CD1-CD2 4.25Å; I133-L483 HydrophobicContact CG1-CD1 3.8Å; I133-L483 HydrophobicContact CG1-CD2 4.21Å; W136-L483 HydrophobicContact CH2-CB 4.02Å; W136-L483 HydrophobicContact CH2-CD1 3.52Å; W136-L483 HydrophobicContact CH2-CD2 4.02Å; W136-L483 HydrophobicContact CH2-CG 4.03Å; W136-L483 HydrophobicContact CZ2-CD1 4.03Å; W136-L483 HydrophobicContact CZ3-CD1 3.76Å; W136-L483 HydrophobicContact CZ3-CD2 3.95Å; W136-L483 HydrophobicContact CZ3-CG 4.34Å; F474-L483 HydrophobicContact CD1-CB 4Å; F474-L483 HydrophobicContact CE1-CB 4.34Å; G479-L483 PolarHBondContact O-N 3.2Å; N480-L483 PolarHBondContact O-N 3.42Å; Y481-L483 VanDerWaalsContact C-N 3.34Å; L483-L485 VanDerWaalsContact C-N 3.32Å; L483-L485 PolarHBondContact O-N 3.27Å; L483-F486 PolarHBondContact O-N 3.49Å; L483-D487 PolarHBondContact O-N 3.29Å |
| 484 | A | 89.4 | Confident | 89.9 | Confident | 35 Ų | 35 | 18.1 Ų | 18.1 | 29% | 0.289 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -60 | -40.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N480 Y481 D487 N488 | N480-A484 PolarHBondContact O-N 2.96Å; Y481-A484 PolarHBondContact O-N 3.23Å; A484-D487 PolarHBondContact O-N 3.41Å; A484-N488 WeakPolarHBondContact O-CB 3.34Å; A484-N488 PolarHBondContact O-N 2.88Å; A484-N488 VanDerWaalsContact O-N 3.08Å; A484-N488 PolarHBondContact O-ND2 3Å |
| 485 | L | 90.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.7 | -43.9 | 174.8 | -174.8 | 73.9 | 0 | 0 | 0 | 111.7 | Y481 W482 L483 F489 Y579 I583 M586 I587 L590 | Y481-L485 PolarHBondContact O-N 2.81Å; W482-L485 HydrophobicContact CE3-CD2 4.1Å; W482-L485 HydrophobicContact CZ3-CD2 4.14Å; W482-L485 PolarHBondContact O-N 2.87Å; L483-L485 VanDerWaalsContact C-N 3.32Å; L483-L485 PolarHBondContact O-N 3.27Å; L485-F489 HydrophobicContact CD1-CD2 3.77Å; L485-F489 HydrophobicContact CD1-CE2 3.83Å; L485-F489 HydrophobicContact CG-CD2 4.41Å; L485-F489 WeakPolarHBondContact O-CD2 3.44Å; L485-F489 PolarHBondContact O-N 3.31Å; L485-Y579 HydrophobicContact CD1-CE1 4.13Å; L485-I583 HydrophobicContact CD1-CG2 3.68Å; L485-I583 HydrophobicContact CD2-CD1 3.95Å; L485-I583 HydrophobicContact CD2-CG2 4.07Å; L485-M586 HydrophobicContact CD2-CB 4.48Å; L485-I587 HydrophobicContact CD1-CD1 4.26Å; L485-I587 HydrophobicContact CD1-CG1 4Å; L485-L590 HydrophobicContact CG-CD1 4.5Å |
| 486 | F | 91.7 | Very high | 89.4 | Confident | 21 Ų | 21 | 18 Ų | 18 | 9% | 0.092 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -65.7 | -45.8 | 178.1 | -87.4 | -121.6 | 0 | 0 | 0 | 111.6 | L125 Y129 F474 W482 L483 N488 F489 A490 L590 | L125-F486 HydrophobicContact CD2-CE1 4.41Å; Y129-F486 HydrophobicContact CD1-CB 4.01Å; Y129-F486 HydrophobicContact CG-CB 4.13Å; F474-F486 HydrophobicContact CE1-CD1 4.46Å; F474-F486 AromaticContact CE1-CD2 4Å; F474-F486 HydrophobicContact CE1-CD2 4Å; F474-F486 HydrophobicContact CE1-CE2 4.25Å; F474-F486 HydrophobicContact CE1-CG 4.09Å; F474-F486 HydrophobicContact CZ-CB 4.43Å; F474-F486 AromaticContact CZ-CD1 3.77Å; F474-F486 HydrophobicContact CZ-CD1 3.77Å; F474-F486 HydrophobicContact CZ-CD2 4.08Å; F474-F486 AromaticContact CZ-CE1 3.9Å; F474-F486 HydrophobicContact CZ-CE1 3.9Å; F474-F486 HydrophobicContact CZ-CE2 4.2Å; F474-F486 AromaticContact CZ-CG 3.84Å; F474-F486 HydrophobicContact CZ-CG 3.84Å; F474-F486 HydrophobicContact CZ-CZ 4.1Å; W482-F486 HydrophobicContact CE3-CE2 4.11Å; W482-F486 WeakPolarHBondContact O-CD2 3.45Å; W482-F486 PolarHBondContact O-N 2.76Å; L483-F486 PolarHBondContact O-N 3.49Å; F486-N488 VanDerWaalsContact C-N 3.34Å; F486-N488 PolarHBondContact O-N 3.27Å; F486-F489 PolarHBondContact O-N 2.72Å; F486-A490 WeakPolarHBondContact O-CA 3.4Å; F486-A490 WeakPolarHBondContact O-CB 3.45Å; F486-A490 PolarHBondContact O-N 3.06Å; F486-L590 HydrophobicContact CD1-CD2 3.86Å; F486-L590 HydrophobicContact CD2-CD1 3.71Å; F486-L590 HydrophobicContact CD2-CD2 4.3Å; F486-L590 HydrophobicContact CE1-CD2 3.48Å; F486-L590 VanDerWaalsContact CE1-CD2 3.48Å; F486-L590 HydrophobicContact CE2-CD1 3.82Å; F486-L590 HydrophobicContact CE2-CD2 3.98Å; F486-L590 HydrophobicContact CE2-CG 4.49Å; F486-L590 HydrophobicContact CG-CD1 4.12Å; F486-L590 HydrophobicContact CG-CD2 4.27Å; F486-L590 HydrophobicContact CZ-CD1 4.3Å; F486-L590 HydrophobicContact CZ-CD2 3.57Å |
| 487 | D | 86.6 | Confident | 89.2 | Confident | 34 Ų | 34 | 17.1 Ų | 17.1 | 18% | 0.182 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63 | -40.4 | -178.5 | -168.5 | 36.9 | 0 | 0 | 0 | 112.2 | R58 Y129 Y278 L483 A484 | R58-D487 IonicContact NH1-OD1 3.12Å; Y129-D487 HydrophobicContact CD2-CB 4.38Å; Y129-D487 HydrophobicContact CE2-CB 3.77Å; Y129-D487 WeakPolarHBondContact CE2-OD1 3.35Å; Y129-D487 PolarHBondContact OH-OD1 2.76Å; Y278-D487 PolarHBondContact OH-O 2.69Å; L483-D487 PolarHBondContact O-N 3.29Å; A484-D487 PolarHBondContact O-N 3.41Å |
| 488 | N | 82.9 | Confident | 89.2 | Confident | 65 Ų | 65 | 13.3 Ų | 13.3 | 35% | 0.348 | 7% | 0.073 | S | C | . | . | H | α-helix | trans | -69.4 | -36.9 | -179.2 | -76.7 | -29.7 | 0 | 0 | 0 | 113.4 | A484 F486 S492 | A484-N488 WeakPolarHBondContact O-CB 3.34Å; A484-N488 PolarHBondContact O-N 2.88Å; A484-N488 VanDerWaalsContact O-N 3.08Å; A484-N488 PolarHBondContact O-ND2 3Å; F486-N488 VanDerWaalsContact C-N 3.34Å; F486-N488 PolarHBondContact O-N 3.27Å; N488-S492 WeakPolarHBondContact O-CB 3.45Å; N488-S492 PolarHBondContact O-OG 3.02Å |
| 489 | F | 86.1 | Confident | 89.2 | Confident | 12 Ų | 12 | 13.3 Ų | 13.3 | 5% | 0.053 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -111.1 | -33.7 | -170.3 | -67.4 | -74.4 | 0 | 0 | 0 | 115.4 | L485 F486 G491 L559 I587 | L485-F489 HydrophobicContact CD1-CD2 3.77Å; L485-F489 HydrophobicContact CD1-CE2 3.83Å; L485-F489 HydrophobicContact CG-CD2 4.41Å; L485-F489 WeakPolarHBondContact O-CD2 3.44Å; L485-F489 PolarHBondContact O-N 3.31Å; F486-F489 PolarHBondContact O-N 2.72Å; F489-G491 PolarHBondContact O-N 3.34Å; F489-L559 HydrophobicContact CZ-CD1 4.17Å; F489-L559 HydrophobicContact CZ-CD2 3.85Å; F489-I587 HydrophobicContact CB-CG2 4.49Å; F489-I587 HydrophobicContact CD1-CG2 3.76Å; F489-I587 HydrophobicContact CD2-CD1 4.17Å; F489-I587 HydrophobicContact CD2-CG1 3.95Å; F489-I587 HydrophobicContact CE1-CD1 4.25Å; F489-I587 HydrophobicContact CE1-CG2 4.1Å; F489-I587 HydrophobicContact CE2-CD1 3.76Å; F489-I587 HydrophobicContact CE2-CG1 4.07Å; F489-I587 HydrophobicContact CG-CG1 4.19Å; F489-I587 HydrophobicContact CG-CG2 4.04Å; F489-I587 HydrophobicContact CZ-CD1 3.8Å; F489-I587 HydrophobicContact CZ-CG1 4.41Å |
| 490 | A | 86.1 | Confident | 89.2 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -34.6 | -168.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L125 F486 P494 | L125-A490 HydrophobicContact CB-CB 4.31Å; F486-A490 WeakPolarHBondContact O-CA 3.4Å; F486-A490 WeakPolarHBondContact O-CB 3.45Å; F486-A490 PolarHBondContact O-N 3.06Å; A490-P494 WeakPolarHBondContact O-CG 3.42Å |
| 491 | G | 76.8 | Confident | 89.3 | Confident | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -11.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y278 F489 L495 | Y278-G491 WeakPolarHBondContact OH-CA 3.45Å; Y278-G491 PolarHBondContact OH-N 3.43Å; F489-G491 PolarHBondContact O-N 3.34Å; G491-L495 VanDerWaalsContact O-CB 3.23Å; G491-L495 WeakPolarHBondContact O-CB 3.3Å; G491-L495 WeakPolarHBondContact O-CD1 3.39Å; G491-L495 WeakPolarHBondContact O-CG 3.37Å |
| 492 | S | 81.3 | Confident | 89.4 | Confident | 10 Ų | 10 | 17 Ų | 17 | 7% | 0.07 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -71.3 | -65 | -176.3 | -55.3 | 0 | 0 | 0 | 0 | 112.6 | Y278 N488 L496 | Y278-S492 PolarHBondContact OH-N 2.93Å; N488-S492 WeakPolarHBondContact O-CB 3.45Å; N488-S492 PolarHBondContact O-OG 3.02Å; S492-L496 WeakPolarHBondContact O-CG 3.32Å |
| 493 | I | 83.6 | Confident | 89.4 | Confident | 23 Ų | 23 | 16 Ų | 16 | 12% | 0.118 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -66.8 | -49.1 | -179 | -55 | 176.9 | 0 | 0 | 0 | 111.8 | L495 L496 V497 Y550 F551 A591 | I493-L495 VanDerWaalsContact C-N 3.34Å; I493-L495 PolarHBondContact O-N 3.11Å; I493-L496 PolarHBondContact O-N 3.42Å; I493-V497 HydrophobicContact CG2-CG2 4.03Å; I493-V497 WeakPolarHBondContact O-CG2 3.29Å; I493-V497 PolarHBondContact O-N 3.29Å; I493-V497 VanDerWaalsContact O-N 3.07Å; I493-Y550 HydrophobicContact CD1-CD1 4.28Å; I493-Y550 HydrophobicContact CD1-CE1 3.41Å; I493-Y550 VanDerWaalsContact CD1-CE1 3.41Å; I493-Y550 HydrophobicContact CG1-CD1 3.91Å; I493-Y550 HydrophobicContact CG1-CE1 3.13Å; I493-F551 HydrophobicContact CG2-CZ 4.46Å; I493-A591 HydrophobicContact CB-CB 4.26Å; I493-A591 HydrophobicContact CD1-CB 3.97Å; I493-A591 HydrophobicContact CG1-CB 4.46Å |
| 494 | P | 90.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.3 | -40 | -171.9 | -30.1 | 42.5 | 0 | 0 | 0 | 113.2 | V122 A490 L496 V497 I498 A591 P594 | V122-P494 HydrophobicContact CG2-CB 3.27Å; V122-P494 HydrophobicContact CG2-CG 4.17Å; A490-P494 WeakPolarHBondContact O-CG 3.42Å; P494-L496 PolarHBondContact O-N 3.42Å; P494-V497 PolarHBondContact O-N 2.9Å; P494-I498 HydrophobicContact CB-CD1 4.38Å; P494-I498 WeakPolarHBondContact O-CB 3.45Å; P494-I498 VanDerWaalsContact O-CD1 3.29Å; P494-I498 WeakPolarHBondContact O-CD1 3.39Å; P494-I498 WeakPolarHBondContact O-CG1 3.45Å; P494-I498 PolarHBondContact O-N 3.42Å; P494-A591 HydrophobicContact CG-CB 4.36Å; P494-P594 HydrophobicContact CB-CB 4.02Å; P494-P594 HydrophobicContact CG-CB 4.2Å; P494-P594 HydrophobicContact CG-CG 4.42Å |
| 495 | L | 91 | Very high | 89.6 | Confident | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -64.6 | -41.9 | -179.5 | -65 | 177.9 | 0 | 0 | 0 | 112 | V122 F277 Y278 L282 A283 F284 G491 I493 I498 G499 | V122-L495 HydrophobicContact CG1-CD2 3.63Å; V122-L495 HydrophobicContact CG1-CG 4.1Å; F277-L495 HydrophobicContact CB-CB 4.44Å; F277-L495 HydrophobicContact CD1-CB 4.31Å; Y278-L495 HydrophobicContact CD1-CD1 4.29Å; Y278-L495 HydrophobicContact CE1-CD1 4.24Å; L282-L495 WeakPolarHBondContact O-CD2 3.4Å; A283-L495 HydrophobicContact CB-CB 4.49Å; A283-L495 HydrophobicContact CB-CD2 4.04Å; F284-L495 HydrophobicContact CD2-CD1 4.19Å; F284-L495 HydrophobicContact CD2-CD2 3.66Å; F284-L495 HydrophobicContact CE2-CD1 3.32Å; F284-L495 HydrophobicContact CE2-CD2 3.59Å; F284-L495 HydrophobicContact CE2-CG 4.1Å; F284-L495 HydrophobicContact CG-CD2 4.25Å; F284-L495 HydrophobicContact CZ-CD1 3.73Å; F284-L495 HydrophobicContact CZ-CD2 4.1Å; F284-L495 HydrophobicContact CZ-CG 4.49Å; G491-L495 VanDerWaalsContact O-CB 3.23Å; G491-L495 WeakPolarHBondContact O-CB 3.3Å; G491-L495 WeakPolarHBondContact O-CD1 3.39Å; G491-L495 WeakPolarHBondContact O-CG 3.37Å; I493-L495 VanDerWaalsContact C-N 3.34Å; I493-L495 PolarHBondContact O-N 3.11Å; L495-I498 PolarHBondContact O-N 3.5Å; L495-G499 PolarHBondContact O-N 3.39Å |
| 496 | L | 89.5 | Confident | 89.7 | Confident | 4 Ų | 4 | 16 Ų | 16 | 2% | 0.021 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -61.7 | -45.8 | 175.5 | -69.6 | 172.4 | 0 | 0 | 0 | 111.7 | F277 S492 I493 P494 F500 I546 L547 | F277-L496 HydrophobicContact CD2-CD2 3.66Å; F277-L496 HydrophobicContact CE2-CD2 3.44Å; F277-L496 VanDerWaalsContact CE2-CD2 3.44Å; F277-L496 HydrophobicContact CG-CD2 4.29Å; F277-L496 HydrophobicContact CZ-CD2 3.93Å; S492-L496 WeakPolarHBondContact O-CG 3.32Å; I493-L496 PolarHBondContact O-N 3.42Å; P494-L496 PolarHBondContact O-N 3.42Å; L496-F500 WeakPolarHBondContact O-CB 3.2Å; L496-F500 PolarHBondContact O-N 3.29Å; L496-I546 HydrophobicContact CD1-CG2 3.87Å; L496-I546 HydrophobicContact CD2-CG2 4.03Å; L496-L547 HydrophobicContact CB-CD1 4.22Å |
| 497 | V | 92.4 | Very high | 89.7 | Confident | 16 Ų | 16 | 15.5 Ų | 15.5 | 10% | 0.097 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -63.4 | -47.8 | 178.4 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | I493 P494 F500 F501 L547 I598 | I493-V497 HydrophobicContact CG2-CG2 4.03Å; I493-V497 WeakPolarHBondContact O-CG2 3.29Å; I493-V497 PolarHBondContact O-N 3.29Å; I493-V497 VanDerWaalsContact O-N 3.07Å; P494-V497 PolarHBondContact O-N 2.9Å; V497-F500 PolarHBondContact O-N 3.3Å; V497-F501 HydrophobicContact CG1-CD2 3.86Å; V497-F501 HydrophobicContact CG1-CE2 3.85Å; V497-F501 WeakPolarHBondContact O-CD2 3.43Å; V497-F501 PolarHBondContact O-N 2.96Å; V497-F501 VanDerWaalsContact O-N 3.12Å; V497-L547 HydrophobicContact CG2-CD1 3.64Å; V497-I598 HydrophobicContact CG1-CD1 4.14Å |
| 498 | I | 94.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.9 | -52.5 | -179.3 | -66.2 | 161.5 | 0 | 0 | 0 | 109.7 | V115 A118 S119 V122 A283 P494 L495 F500 F501 E502 I598 | V115-I498 HydrophobicContact CG1-CG2 4.07Å; A118-I498 HydrophobicContact CB-CD1 3.69Å; A118-I498 HydrophobicContact CB-CG1 3.7Å; S119-I498 WeakPolarHBondContact OG-CG2 3.46Å; V122-I498 HydrophobicContact CG2-CD1 3.75Å; A283-I498 HydrophobicContact CB-CB 3.86Å; A283-I498 HydrophobicContact CB-CG2 3.64Å; P494-I498 HydrophobicContact CB-CD1 4.38Å; P494-I498 WeakPolarHBondContact O-CB 3.45Å; P494-I498 VanDerWaalsContact O-CD1 3.29Å; P494-I498 WeakPolarHBondContact O-CD1 3.39Å; P494-I498 WeakPolarHBondContact O-CG1 3.45Å; P494-I498 PolarHBondContact O-N 3.42Å; L495-I498 PolarHBondContact O-N 3.5Å; I498-F500 VanDerWaalsContact C-N 3.26Å; I498-F500 PolarHBondContact O-N 3.36Å; I498-F501 CarbonylContact O-C 3.56Å; I498-F501 WeakPolarHBondContact O-CA 3.43Å; I498-F501 PolarHBondContact O-N 3.21Å; I498-E502 HydrophobicContact CG2-CG 4.1Å; I498-E502 WeakPolarHBondContact O-CG 3.41Å; I498-E502 PolarHBondContact O-N 3.09Å; I498-I598 HydrophobicContact CG1-CD1 4.24Å |
| 499 | G | 93.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -58 | -37.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L495 E502 M503 | L495-G499 PolarHBondContact O-N 3.39Å; G499-E502 PolarHBondContact O-N 3.38Å; G499-M503 PolarHBondContact O-N 2.76Å; G499-M503 VanDerWaalsContact O-N 3.11Å |
| 500 | F | 93.9 | Very high | 90.7 | Very high | 41 Ų | 41 | 13.9 Ų | 13.9 | 18% | 0.18 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -59.2 | -50.4 | 171 | 173.9 | -104.7 | 0 | 0 | 0 | 111.8 | L496 V497 I498 E502 M503 I504 M543 I544 | L496-F500 WeakPolarHBondContact O-CB 3.2Å; L496-F500 PolarHBondContact O-N 3.29Å; V497-F500 PolarHBondContact O-N 3.3Å; I498-F500 VanDerWaalsContact C-N 3.26Å; I498-F500 PolarHBondContact O-N 3.36Å; F500-E502 VanDerWaalsContact C-N 3.34Å; F500-E502 PolarHBondContact O-N 3.46Å; F500-M503 PolarHBondContact O-N 3.45Å; F500-I504 HydrophobicContact CD1-CG1 4.42Å; F500-I504 HydrophobicContact CD2-CG1 4.19Å; F500-I504 HydrophobicContact CE1-CG1 4Å; F500-I504 HydrophobicContact CE2-CD1 3.95Å; F500-I504 HydrophobicContact CE2-CG1 3.72Å; F500-I504 HydrophobicContact CZ-CD1 4.04Å; F500-I504 HydrophobicContact CZ-CG1 3.62Å; F500-I504 VanDerWaalsContact O-CG1 3.31Å; F500-I504 WeakPolarHBondContact O-CG1 3.45Å; F500-I504 PolarHBondContact O-N 3.43Å; F500-M543 VanDerWaalsContact CA-SD 3.59Å; F500-M543 HydrophobicContact CB-CB 4.44Å; F500-M543 HydrophobicContact CB-SD 4.15Å; F500-M543 HydrophobicContact CD2-CB 4.18Å; F500-I544 HydrophobicContact CD2-CG1 4.08Å; F500-I544 HydrophobicContact CE2-CD1 3.69Å; F500-I544 HydrophobicContact CE2-CG1 3.47Å; F500-I544 VanDerWaalsContact CE2-CG1 3.47Å; F500-I544 HydrophobicContact CZ-CD1 4.07Å; F500-I544 HydrophobicContact CZ-CG1 4.01Å |
| 501 | F | 95.1 | Very high | 91 | Very high | 67 Ų | 67 | 14.1 Ų | 14.1 | 29% | 0.294 | 7% | 0.069 | S | C | . | . | H | α-helix | trans | -66.8 | -32.3 | 178.9 | -81.1 | -69.5 | 0 | 0 | 0 | 113.2 | V115 V497 I498 S505 I598 | V115-F501 HydrophobicContact CG2-CB 4.03Å; V497-F501 HydrophobicContact CG1-CD2 3.86Å; V497-F501 HydrophobicContact CG1-CE2 3.85Å; V497-F501 WeakPolarHBondContact O-CD2 3.43Å; V497-F501 PolarHBondContact O-N 2.96Å; V497-F501 VanDerWaalsContact O-N 3.12Å; I498-F501 CarbonylContact O-C 3.56Å; I498-F501 WeakPolarHBondContact O-CA 3.43Å; I498-F501 PolarHBondContact O-N 3.21Å; F501-S505 WeakPolarHBondContact O-CB 3.4Å; F501-S505 PolarHBondContact O-N 3.15Å; F501-S505 PolarHBondContact O-OG 3.49Å; F501-I598 HydrophobicContact CB-CD1 4.18Å; F501-I598 HydrophobicContact CD1-CG2 4.25Å; F501-I598 HydrophobicContact CD2-CD1 3.49Å; F501-I598 VanDerWaalsContact CD2-CD1 3.49Å; F501-I598 HydrophobicContact CD2-CG2 4.06Å; F501-I598 HydrophobicContact CE1-CG2 4.42Å; F501-I598 HydrophobicContact CE2-CD1 4.18Å; F501-I598 HydrophobicContact CE2-CG2 4.24Å; F501-I598 HydrophobicContact CG-CD1 4.06Å; F501-I598 HydrophobicContact CG-CG2 4.08Å; F501-I598 HydrophobicContact CZ-CG2 4.43Å |
| 502 | E | 95.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61.5 | -50.1 | 174.6 | -69.8 | -168.6 | 152 | 0 | 0 | 111.2 | W105 V115 I498 G499 F500 S505 V506 | W105-E502 HydrophobicContact CH2-CB 3.58Å; W105-E502 HydrophobicContact CH2-CG 3.73Å; W105-E502 HydrophobicContact CZ2-CB 3.7Å; W105-E502 VanDerWaalsContact CZ2-CD 3.46Å; W105-E502 HydrophobicContact CZ2-CG 3.29Å; W105-E502 WeakPolarHBondContact CZ2-OE1 3.48Å; W105-E502 HydrophobicContact CZ3-CB 4.43Å; W105-E502 PolarHBondContact NE1-OE1 2.98Å; V115-E502 HydrophobicContact CG1-CG 3.59Å; I498-E502 HydrophobicContact CG2-CG 4.1Å; I498-E502 WeakPolarHBondContact O-CG 3.41Å; I498-E502 PolarHBondContact O-N 3.09Å; G499-E502 PolarHBondContact O-N 3.38Å; F500-E502 VanDerWaalsContact C-N 3.34Å; F500-E502 PolarHBondContact O-N 3.46Å; E502-S505 WeakPolarHBondContact O-CB 3.49Å; E502-S505 PolarHBondContact O-N 2.91Å; E502-V506 PolarHBondContact O-N 2.92Å |
| 503 | M | 92.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60.6 | -49.7 | 175.6 | -104.7 | -154.2 | -38 | 0 | 0 | 112.4 | L86 L89 G499 F500 S505 V506 V507 P540 M543 | L86-M503 HydrophobicContact CD1-CG 3.94Å; L89-M503 HydrophobicContact CD1-CG 3.96Å; G499-M503 PolarHBondContact O-N 2.76Å; G499-M503 VanDerWaalsContact O-N 3.11Å; F500-M503 PolarHBondContact O-N 3.45Å; M503-S505 PolarHBondContact O-N 3.45Å; M503-V506 PolarHBondContact O-N 3.29Å; M503-V507 WeakPolarHBondContact O-CB 3.42Å; M503-V507 VanDerWaalsContact O-CG2 3.28Å; M503-V507 WeakPolarHBondContact O-CG2 3.44Å; M503-V507 PolarHBondContact O-N 3.13Å; M503-P540 HydrophobicContact CE-CB 3.79Å; M503-P540 VanDerWaalsContact CE-CD 3.44Å; M503-P540 HydrophobicContact CE-CG 3.46Å; M503-P540 VanDerWaalsContact CE-CG 3.46Å; M503-P540 HydrophobicContact SD-CG 3.86Å; M503-M543 HydrophobicContact CE-CE 3.2Å; M503-M543 HydrophobicContact CE-CG 4.4Å; M503-M543 HydrophobicContact CE-SD 3.32Å; M503-M543 WeakPolarHBondContact CE-SD 3.3Å; M503-M543 HydrophobicContact CG-CE 4.36Å; M503-M543 HydrophobicContact SD-CE 3.89Å |
| 504 | I | 92.8 | Very high | 92.6 | Very high | 40 Ų | 40 | 21.2 Ų | 21.2 | 21% | 0.205 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.7 | -39 | -179.4 | -67.4 | -59.4 | 0 | 0 | 0 | 110.4 | F500 Y508 | F500-I504 HydrophobicContact CD1-CG1 4.42Å; F500-I504 HydrophobicContact CD2-CG1 4.19Å; F500-I504 HydrophobicContact CE1-CG1 4Å; F500-I504 HydrophobicContact CE2-CD1 3.95Å; F500-I504 HydrophobicContact CE2-CG1 3.72Å; F500-I504 HydrophobicContact CZ-CD1 4.04Å; F500-I504 HydrophobicContact CZ-CG1 3.62Å; F500-I504 VanDerWaalsContact O-CG1 3.31Å; F500-I504 WeakPolarHBondContact O-CG1 3.45Å; F500-I504 PolarHBondContact O-N 3.43Å; I504-Y508 HydrophobicContact CB-CD2 4.43Å; I504-Y508 HydrophobicContact CD1-CD2 3.64Å; I504-Y508 HydrophobicContact CD1-CE2 3.5Å; I504-Y508 HydrophobicContact CG2-CD2 4.16Å; I504-Y508 WeakPolarHBondContact O-CB 3.16Å; I504-Y508 PolarHBondContact O-N 3.27Å |
| 505 | S | 93.3 | Very high | 92.8 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.007 | 10% | 0.101 | C | C | . | . | I | π-helix | trans | -63.1 | -44.5 | 178.8 | -66.6 | 0 | 0 | 0 | 0 | 112.6 | L112 F501 E502 M503 I509 Y510 | L112-S505 WeakPolarHBondContact CD1-OG 3.46Å; L112-S505 WeakPolarHBondContact CD2-OG 3.47Å; F501-S505 WeakPolarHBondContact O-CB 3.4Å; F501-S505 PolarHBondContact O-N 3.15Å; F501-S505 PolarHBondContact O-OG 3.49Å; E502-S505 WeakPolarHBondContact O-CB 3.49Å; E502-S505 PolarHBondContact O-N 2.91Å; M503-S505 PolarHBondContact O-N 3.45Å; S505-I509 VanDerWaalsContact O-CB 3.3Å; S505-I509 WeakPolarHBondContact O-CB 3.06Å; S505-I509 PolarHBondContact O-N 3.23Å; S505-Y510 PolarHBondContact O-N 3.29Å |
| 506 | V | 94.1 | Very high | 93 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.006 | 11% | 0.106 | C | C | . | . | I | π-helix | trans | -74.5 | -46.8 | 179.2 | 176.9 | 0 | 0 | 0 | 0 | 111.3 | L89 I93 W105 E502 M503 Y510 G511 F515 | L89-V506 HydrophobicContact CD1-CB 4.01Å; L89-V506 HydrophobicContact CD1-CG1 4.19Å; L89-V506 HydrophobicContact CD1-CG2 4.36Å; L89-V506 HydrophobicContact CD2-CB 4.3Å; L89-V506 HydrophobicContact CD2-CG2 3.72Å; L89-V506 HydrophobicContact CG-CB 4.29Å; L89-V506 HydrophobicContact CG-CG1 4.27Å; L89-V506 HydrophobicContact CG-CG2 4.2Å; I93-V506 HydrophobicContact CD1-CG2 4.44Å; I93-V506 HydrophobicContact CG1-CG2 4.4Å; W105-V506 HydrophobicContact CH2-CG2 3.94Å; W105-V506 HydrophobicContact CZ3-CG2 3.82Å; E502-V506 PolarHBondContact O-N 2.92Å; M503-V506 PolarHBondContact O-N 3.29Å; V506-Y510 WeakPolarHBondContact O-CB 3.44Å; V506-G511 PolarHBondContact O-N 3.35Å; V506-F515 HydrophobicContact CG1-CD1 4.47Å; V506-F515 HydrophobicContact CG1-CD2 3.75Å; V506-F515 HydrophobicContact CG1-CE2 3.92Å; V506-F515 HydrophobicContact CG1-CG 4.01Å; V506-F515 HydrophobicContact CG1-CZ 4.28Å |
| 507 | V | 91.4 | Very high | 93.2 | Very high | 9 Ų | 9 | 28.2 Ų | 28.2 | 6% | 0.055 | 13% | 0.132 | C | C | . | . | I | π-helix | trans | -71.6 | -45.4 | -171.6 | 177.7 | 0 | 0 | 0 | 0 | 111.8 | M503 G511 M512 W535 R536 | M503-V507 WeakPolarHBondContact O-CB 3.42Å; M503-V507 VanDerWaalsContact O-CG2 3.28Å; M503-V507 WeakPolarHBondContact O-CG2 3.44Å; M503-V507 PolarHBondContact O-N 3.13Å; V507-G511 WeakPolarHBondContact O-CA 3.21Å; V507-M512 HydrophobicContact CB-SD 4.49Å; V507-M512 HydrophobicContact CG1-SD 4.31Å; V507-M512 HydrophobicContact CG2-SD 4.01Å; V507-M512 PolarHBondContact O-N 3.43Å; V507-W535 HydrophobicContact CG2-CB 4.04Å; V507-W535 WeakPolarHBondContact CG2-O 3.46Å; V507-R536 HydrophobicContact CG1-CG 4.33Å |
| 508 | Y | 90 | Very high | 93.4 | Very high | 58 Ų | 58 | 27.7 Ų | 27.7 | 23% | 0.227 | 13% | 0.129 | C | C | . | . | I | π-helix | trans | -105.3 | -29.7 | -170.2 | -61 | -77.8 | 0 | 0 | 0 | 114.6 | L5 L7 I504 R536 | L5-Y508 HydrophobicContact CB-CD1 3.94Å; L5-Y508 HydrophobicContact CB-CE1 3.96Å; L5-Y508 HydrophobicContact CD2-CD1 4.31Å; L5-Y508 HydrophobicContact CD2-CE1 4.05Å; L5-Y508 HydrophobicContact CG-CE1 4.44Å; L5-Y508 WeakPolarHBondContact O-CD1 3.15Å; L7-Y508 PolarHBondContact N-O 3.27Å; I504-Y508 HydrophobicContact CB-CD2 4.43Å; I504-Y508 HydrophobicContact CD1-CD2 3.64Å; I504-Y508 HydrophobicContact CD1-CE2 3.5Å; I504-Y508 HydrophobicContact CG2-CD2 4.16Å; I504-Y508 WeakPolarHBondContact O-CB 3.16Å; I504-Y508 PolarHBondContact O-N 3.27Å; Y508-R536 PolarHBondContact OH-O 2.94Å |
| 509 | I | 92.1 | Very high | 93.4 | Very high | 20 Ų | 20 | 27.7 Ų | 27.7 | 10% | 0.103 | 13% | 0.129 | C | C | . | . | I | π-helix | trans | -94 | -53.1 | -179 | -59.5 | 173.7 | 0 | 0 | 0 | 111.3 | L7 I108 N109 L112 S505 | L7-I509 HydrophobicContact CD1-CD1 4.5Å; L7-I509 HydrophobicContact CD1-CG1 3.87Å; I108-I509 HydrophobicContact CG2-CG2 4.17Å; N109-I509 HydrophobicContact CB-CG2 4.09Å; L112-I509 HydrophobicContact CD1-CB 4.47Å; L112-I509 HydrophobicContact CD1-CD1 3.84Å; L112-I509 HydrophobicContact CD1-CG2 4.15Å; L112-I509 HydrophobicContact CD2-CD1 3.92Å; L112-I509 HydrophobicContact CG-CD1 4.26Å; S505-I509 VanDerWaalsContact O-CB 3.3Å; S505-I509 WeakPolarHBondContact O-CB 3.06Å; S505-I509 PolarHBondContact O-N 3.23Å |
| 510 | Y | 93.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | I | π-helix | trans | -67.8 | -45.5 | 173.8 | -173 | -109.3 | 0 | 0 | 0 | 110.4 | K6 L12 I16 I108 S505 V506 R514 F515 D518 | K6-Y510 PolarHBondContact NZ-O 3.3Å; L12-Y510 HydrophobicContact CD1-CD2 4.35Å; L12-Y510 HydrophobicContact CD1-CE2 4.43Å; L12-Y510 HydrophobicContact CD2-CD2 4.04Å; L12-Y510 HydrophobicContact CD2-CE2 4.19Å; I16-Y510 HydrophobicContact CD1-CE2 3.9Å; I108-Y510 HydrophobicContact CG1-CD2 4.03Å; I108-Y510 HydrophobicContact CG2-CD2 4.24Å; S505-Y510 PolarHBondContact O-N 3.29Å; V506-Y510 WeakPolarHBondContact O-CB 3.44Å; Y510-R514 HydrophobicContact CE1-CB 4.36Å; Y510-R514 HydrophobicContact CE1-CG 3.88Å; Y510-R514 VanDerWaalsContact CZ-CD 3.47Å; Y510-F515 HydrophobicContact CD1-CB 4.13Å; Y510-F515 HydrophobicContact CD1-CD2 4.31Å; Y510-F515 HydrophobicContact CE1-CB 4.15Å; Y510-F515 HydrophobicContact CE1-CD2 4.18Å; Y510-D518 VanDerWaalsContact CE1-OD2 3.29Å; Y510-D518 WeakPolarHBondContact CE1-OD2 3.22Å; Y510-D518 VanDerWaalsContact CZ-OD2 3.31Å; Y510-D518 PolarHBondContact OH-OD2 3.45Å |
| 511 | G | 92.1 | Very high | 93.6 | Very high | 5 Ų | 5 | 31.4 Ų | 31.4 | 5% | 0.052 | 15% | 0.146 | C | C | . | . | I | π-helix | trans | 102.7 | 121 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V506 V507 D513 R514 F515 | V506-G511 PolarHBondContact O-N 3.35Å; V507-G511 WeakPolarHBondContact O-CA 3.21Å; G511-D513 VanDerWaalsContact C-N 3.28Å; G511-D513 PolarHBondContact O-N 3.01Å; G511-R514 WeakPolarHBondContact O-CB 3.46Å; G511-R514 PolarHBondContact O-N 3.41Å; G511-F515 PolarHBondContact O-N 3.25Å; G511-F515 VanDerWaalsContact O-N 3.15Å |
| 512 | M | 91.2 | Very high | 93.6 | Very high | 11 Ų | 11 | 28.4 Ų | 28.4 | 5% | 0.054 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -54.3 | -38.5 | -175.4 | -158.3 | 66.5 | -114.8 | 0 | 0 | 114.4 | V507 R514 F515 N516 W535 R536 | V507-M512 HydrophobicContact CB-SD 4.49Å; V507-M512 HydrophobicContact CG1-SD 4.31Å; V507-M512 HydrophobicContact CG2-SD 4.01Å; V507-M512 PolarHBondContact O-N 3.43Å; M512-R514 VanDerWaalsContact C-N 3.29Å; M512-R514 PolarHBondContact O-N 3.39Å; M512-F515 HydrophobicContact CE-CB 4.01Å; M512-F515 HydrophobicContact CE-CD1 3.31Å; M512-F515 HydrophobicContact CE-CE1 4.11Å; M512-F515 HydrophobicContact CE-CG 4.07Å; M512-F515 PolarHBondContact O-N 3.38Å; M512-N516 WeakPolarHBondContact CE-OD1 3.14Å; M512-N516 WeakPolarHBondContact O-CB 3.41Å; M512-N516 PolarHBondContact O-N 3.01Å; M512-N516 PolarHBondContact O-ND2 2.65Å; M512-N516 PolarHBondContact O-OD1 3.31Å; M512-W535 HydrophobicContact CE-CD2 4.32Å; M512-W535 HydrophobicContact CE-CE3 3.44Å; M512-W535 VanDerWaalsContact CE-CE3 3.44Å; M512-W535 HydrophobicContact CE-CZ3 3.79Å; M512-W535 HydrophobicContact SD-CB 4.16Å; M512-W535 HydrophobicContact SD-CE3 4.15Å; M512-R536 HydrophobicContact CG-CG 4.17Å |
| 513 | D | 91.4 | Very high | 93.6 | Very high | 106 Ų | 106 | 29.8 Ų | 29.8 | 57% | 0.567 | 14% | 0.14 | S | C | * | . | H | α-helix | trans | -68.1 | -28.6 | 179.8 | -63.3 | -29.3 | 0 | 0 | 0 | 112.9 | G511 R536 | G511-D513 VanDerWaalsContact C-N 3.28Å; G511-D513 PolarHBondContact O-N 3.01Å; D513-R536 IonicContact OD1-NH2 2.72Å; D513-R536 PolarHBondContact OD1-NH2 3.36Å |
| 514 | R | 92.9 | Very high | 93.6 | Very high | 65 Ų | 65 | 32.7 Ų | 32.7 | 25% | 0.245 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -74.7 | -47.5 | 174 | 177.6 | -177.9 | -73.3 | -99.9 | 6.9 | 109.6 | D13 Y510 G511 M512 N516 K517 D518 | D13-R514 IonicContact OD1-CZ 3.17Å; D13-R514 IonicContact OD1-NH1 2.7Å; D13-R514 PolarHBondContact OD1-NH1 2.97Å; D13-R514 IonicContact OD1-NH2 2.77Å; D13-R514 PolarHBondContact OD1-NH2 2.65Å; D13-R514 IonicContact OD2-NH2 3.38Å; D13-R514 PolarHBondContact OD2-NH2 3.39Å; Y510-R514 HydrophobicContact CE1-CB 4.36Å; Y510-R514 HydrophobicContact CE1-CG 3.88Å; Y510-R514 VanDerWaalsContact CZ-CD 3.47Å; G511-R514 WeakPolarHBondContact O-CB 3.46Å; G511-R514 PolarHBondContact O-N 3.41Å; M512-R514 VanDerWaalsContact C-N 3.29Å; M512-R514 PolarHBondContact O-N 3.39Å; R514-N516 VanDerWaalsContact C-N 3.26Å; R514-N516 PolarHBondContact O-N 3.42Å; R514-K517 WeakPolarHBondContact O-CA 2.91Å; R514-K517 WeakPolarHBondContact O-CB 3.42Å; R514-K517 PolarHBondContact O-N 2.96Å; R514-D518 PolarHBondContact O-N 3.45Å |
| 515 | F | 94.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.2 | -38.2 | 177.6 | -170.1 | -103.3 | 0 | 0 | 0 | 112.5 | A92 I93 V506 Y510 G511 M512 K517 D518 L519 W535 | A92-F515 HydrophobicContact CB-CE2 4.11Å; A92-F515 HydrophobicContact CB-CZ 3.62Å; I93-F515 HydrophobicContact CB-CE2 4.48Å; I93-F515 HydrophobicContact CD1-CD2 4.47Å; I93-F515 HydrophobicContact CD1-CE2 4.2Å; V506-F515 HydrophobicContact CG1-CD1 4.47Å; V506-F515 HydrophobicContact CG1-CD2 3.75Å; V506-F515 HydrophobicContact CG1-CE2 3.92Å; V506-F515 HydrophobicContact CG1-CG 4.01Å; V506-F515 HydrophobicContact CG1-CZ 4.28Å; Y510-F515 HydrophobicContact CD1-CB 4.13Å; Y510-F515 HydrophobicContact CD1-CD2 4.31Å; Y510-F515 HydrophobicContact CE1-CB 4.15Å; Y510-F515 HydrophobicContact CE1-CD2 4.18Å; G511-F515 PolarHBondContact O-N 3.25Å; G511-F515 VanDerWaalsContact O-N 3.15Å; M512-F515 HydrophobicContact CE-CB 4.01Å; M512-F515 HydrophobicContact CE-CD1 3.31Å; M512-F515 HydrophobicContact CE-CE1 4.11Å; M512-F515 HydrophobicContact CE-CG 4.07Å; M512-F515 PolarHBondContact O-N 3.38Å; F515-K517 VanDerWaalsContact C-N 3.29Å; F515-K517 PolarHBondContact O-N 3.18Å; F515-D518 PolarHBondContact O-N 2.96Å; F515-L519 HydrophobicContact CD1-CD1 3.67Å; F515-L519 HydrophobicContact CD1-CG 4.3Å; F515-L519 HydrophobicContact CE1-CD1 3.45Å; F515-L519 VanDerWaalsContact CE1-CD1 3.45Å; F515-L519 HydrophobicContact CE1-CG 4.16Å; F515-L519 HydrophobicContact CZ-CD1 4.21Å; F515-L519 PolarHBondContact O-N 3.29Å; F515-W535 HydrophobicContact CD1-CZ3 4.4Å; F515-W535 AromaticContact CE1-CH2 3.92Å; F515-W535 HydrophobicContact CE1-CH2 3.92Å; F515-W535 HydrophobicContact CE1-CZ2 4.31Å; F515-W535 HydrophobicContact CE1-CZ3 4.08Å |
| 516 | N | 95.1 | Very high | 93.6 | Very high | 18 Ų | 18 | 40 Ų | 40 | 10% | 0.096 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.4 | -34.9 | 173.6 | -72.5 | -15.3 | 0 | 0 | 0 | 113.4 | M512 R514 E520 Q532 | M512-N516 WeakPolarHBondContact CE-OD1 3.14Å; M512-N516 WeakPolarHBondContact O-CB 3.41Å; M512-N516 PolarHBondContact O-N 3.01Å; M512-N516 PolarHBondContact O-ND2 2.65Å; M512-N516 PolarHBondContact O-OD1 3.31Å; R514-N516 VanDerWaalsContact C-N 3.26Å; R514-N516 PolarHBondContact O-N 3.42Å; N516-E520 WeakPolarHBondContact O-CB 3.3Å; N516-E520 PolarHBondContact O-N 3.45Å; N516-Q532 VanDerWaalsContact CG-NE2 3.34Å; N516-Q532 PolarHBondContact ND2-NE2 2.75Å; N516-Q532 VanDerWaalsContact ND2-NE2 3.19Å; N516-Q532 PolarHBondContact ND2-OE1 3.16Å; N516-Q532 VanDerWaalsContact ND2-OE1 3.13Å; N516-Q532 PolarHBondContact OD1-NE2 3.29Å |
| 517 | K | 95.4 | Very high | 93.6 | Very high | 133 Ų | 133 | 40.5 Ų | 40.5 | 58% | 0.578 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -74.2 | -36.5 | 175.1 | -68.3 | 179.1 | 179.3 | -172.8 | 0 | 111.8 | R514 F515 L519 E520 F521 | R514-K517 WeakPolarHBondContact O-CA 2.91Å; R514-K517 WeakPolarHBondContact O-CB 3.42Å; R514-K517 PolarHBondContact O-N 2.96Å; F515-K517 VanDerWaalsContact C-N 3.29Å; F515-K517 PolarHBondContact O-N 3.18Å; K517-L519 VanDerWaalsContact C-N 3.34Å; K517-E520 PolarHBondContact O-N 2.9Å; K517-F521 WeakPolarHBondContact O-CB 3.22Å; K517-F521 PolarHBondContact O-N 3.42Å |
| 518 | D | 95.5 | Very high | 93.7 | Very high | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.1 | -41.8 | 174.8 | -66.8 | -43.9 | 0 | 0 | 0 | 111 | H19 R96 Y510 R514 F515 F521 M522 | H19-D518 IonicContact CD2-OD1 3.99Å; H19-D518 IonicContact CE1-OD1 3.32Å; H19-D518 IonicContact NE2-OD1 3.91Å; H19-D518 PolarHBondContact NE2-OD1 3.27Å; R96-D518 HydrophobicContact CG-CB 4.12Å; R96-D518 IonicContact CZ-OD1 3.56Å; R96-D518 VanDerWaalsContact NE-CG 3.26Å; R96-D518 IonicContact NE-OD1 3.28Å; R96-D518 PolarHBondContact NE-OD1 3.26Å; R96-D518 IonicContact NE-OD2 2.7Å; R96-D518 IonicContact NH2-OD1 3.41Å; R96-D518 PolarHBondContact NH2-OD1 3.2Å; Y510-D518 VanDerWaalsContact CE1-OD2 3.29Å; Y510-D518 WeakPolarHBondContact CE1-OD2 3.22Å; Y510-D518 VanDerWaalsContact CZ-OD2 3.31Å; Y510-D518 PolarHBondContact OH-OD2 3.45Å; R514-D518 PolarHBondContact O-N 3.45Å; F515-D518 PolarHBondContact O-N 2.96Å; D518-F521 PolarHBondContact O-N 3.09Å; D518-M522 WeakPolarHBondContact O-CG 3.31Å; D518-M522 PolarHBondContact O-N 3.47Å |
| 519 | L | 95 | Very high | 93.9 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64 | -48.7 | 172.4 | -76.3 | 172.6 | 0 | 0 | 0 | 111.5 | A92 F515 K517 F521 M522 I523 P527 W535 | A92-L519 HydrophobicContact CB-CD2 3.68Å; F515-L519 HydrophobicContact CD1-CD1 3.67Å; F515-L519 HydrophobicContact CD1-CG 4.3Å; F515-L519 HydrophobicContact CE1-CD1 3.45Å; F515-L519 VanDerWaalsContact CE1-CD1 3.45Å; F515-L519 HydrophobicContact CE1-CG 4.16Å; F515-L519 HydrophobicContact CZ-CD1 4.21Å; F515-L519 PolarHBondContact O-N 3.29Å; K517-L519 VanDerWaalsContact C-N 3.34Å; L519-F521 PolarHBondContact O-N 2.86Å; L519-F521 VanDerWaalsContact O-N 3.15Å; L519-M522 HydrophobicContact CD2-CE 3.85Å; L519-M522 PolarHBondContact O-N 2.92Å; L519-I523 WeakPolarHBondContact O-CG1 3.3Å; L519-I523 PolarHBondContact O-N 2.82Å; L519-P527 HydrophobicContact CB-CG 4.23Å; L519-P527 HydrophobicContact CD1-CG 3.37Å; L519-P527 HydrophobicContact CG-CG 4.43Å; L519-W535 HydrophobicContact CD1-CH2 3.87Å; L519-W535 HydrophobicContact CD1-CZ3 4.15Å |
| 520 | E | 96.3 | Very high | 94.1 | Very high | 78 Ų | 78 | 52.4 Ų | 52.4 | 36% | 0.364 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -54.9 | -35.8 | 176.5 | -177 | 175.1 | -146.6 | 0 | 0 | 112.6 | N516 K517 G524 H525 K526 | N516-E520 WeakPolarHBondContact O-CB 3.3Å; N516-E520 PolarHBondContact O-N 3.45Å; K517-E520 PolarHBondContact O-N 2.9Å; E520-G524 CarbonylContact O-C 3.41Å; E520-G524 WeakPolarHBondContact O-CA 3.46Å; E520-G524 PolarHBondContact O-N 3.48Å; E520-H525 WeakPolarHBondContact CA-O 3.43Å; E520-K526 HydrophobicContact CB-CG 4.09Å; E520-K526 HydrophobicContact CG-CG 4.28Å; E520-K526 VanDerWaalsContact OE1-CE 3.31Å; E520-K526 WeakPolarHBondContact OE1-CE 3.34Å; E520-K526 IonicContact OE1-NZ 3.87Å; E520-K526 WeakPolarHBondContact OE2-CE 3.38Å; E520-K526 IonicContact OE2-NZ 3.27Å |
| 521 | F | 95.8 | Very high | 94.1 | Very high | 42 Ų | 42 | 52.9 Ų | 52.9 | 18% | 0.184 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -70.1 | -40.7 | 173.7 | 171.4 | -105.2 | 0 | 0 | 0 | 113.5 | H19 L22 E23 V296 H297 K517 D518 L519 | H19-F521 HydrophobicContact CB-CD1 4.43Å; H19-F521 HydrophobicContact CB-CD2 4.2Å; H19-F521 HydrophobicContact CB-CE1 4.2Å; H19-F521 HydrophobicContact CB-CE2 3.97Å; H19-F521 HydrophobicContact CB-CG 4.43Å; H19-F521 HydrophobicContact CB-CZ 3.97Å; H19-F521 AromaticContact CD2-CD1 3.82Å; L22-F521 HydrophobicContact CD1-CE1 4Å; E23-F521 HydrophobicContact CG-CZ 4.09Å; V296-F521 HydrophobicContact CG1-CD1 4.41Å; V296-F521 HydrophobicContact CG1-CE1 3.63Å; V296-F521 HydrophobicContact CG1-CZ 4.34Å; H297-F521 AromaticContact CE1-CZ 3.99Å; H297-F521 PolarHBondContact ND1-O 3.31Å; K517-F521 WeakPolarHBondContact O-CB 3.22Å; K517-F521 PolarHBondContact O-N 3.42Å; D518-F521 PolarHBondContact O-N 3.09Å; L519-F521 PolarHBondContact O-N 2.86Å; L519-F521 VanDerWaalsContact O-N 3.15Å |
| 522 | M | 95.1 | Very high | 94.2 | Very high | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.02 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -77.1 | -45.9 | -178.1 | -68.1 | -174.5 | -55.9 | 0 | 0 | 113.1 | A92 Q95 R96 V296 H297 D518 L519 | A92-M522 HydrophobicContact CB-CE 4.37Å; Q95-M522 HydrophobicContact CB-SD 4.4Å; Q95-M522 HydrophobicContact CG-SD 4.2Å; R96-M522 HydrophobicContact CB-CE 4.07Å; R96-M522 HydrophobicContact CB-SD 3.87Å; V296-M522 HydrophobicContact CG1-CG 4.32Å; V296-M522 WeakPolarHBondContact O-CB 3.45Å; V296-M522 WeakPolarHBondContact O-CG 3.43Å; H297-M522 WeakPolarHBondContact CA-O 3.41Å; D518-M522 WeakPolarHBondContact O-CG 3.31Å; D518-M522 PolarHBondContact O-N 3.47Å; L519-M522 HydrophobicContact CD2-CE 3.85Å; L519-M522 PolarHBondContact O-N 2.92Å |
| 523 | I | 94.9 | Very high | 94.4 | Very high | 28 Ų | 28 | 55.3 Ų | 55.3 | 14% | 0.144 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -106.6 | -9.7 | -172.9 | 63.6 | 166.1 | 0 | 0 | 0 | 114.2 | E301 L519 H525 | E301-I523 HydrophobicContact CB-CD1 4.27Å; E301-I523 WeakPolarHBondContact OE2-CD1 3.34Å; L519-I523 WeakPolarHBondContact O-CG1 3.3Å; L519-I523 PolarHBondContact O-N 2.82Å; I523-H525 WeakPolarHBondContact CG1-O 3.36Å |
| 524 | G | 93.2 | Very high | 94.5 | Very high | 62 Ų | 62 | 50.2 Ų | 50.2 | 64% | 0.639 | 26% | 0.258 | S | S | * | . | S | Bend | trans | 87.8 | -4.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | E520 | E520-G524 CarbonylContact O-C 3.41Å; E520-G524 WeakPolarHBondContact O-CA 3.46Å; E520-G524 PolarHBondContact O-N 3.48Å |
| 525 | H | 93.8 | Very high | 94.6 | Very high | 83 Ų | 83 | 47.2 Ų | 47.2 | 38% | 0.384 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -143.4 | 162.3 | 174.3 | 66.7 | 86 | 0 | 0 | 0 | 112 | E301 E520 I523 | E301-H525 IonicContact OE2-CE1 2.69Å; E301-H525 PolarHBondContact OE2-CE1 2.98Å; E301-H525 VanDerWaalsContact OE2-CE1 3.28Å; E520-H525 WeakPolarHBondContact CA-O 3.43Å; I523-H525 WeakPolarHBondContact CG1-O 3.36Å |
| 526 | K | 92.8 | Very high | 94.5 | Very high | 112 Ų | 112 | 51.6 Ų | 51.6 | 49% | 0.487 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -79.1 | 153.3 | 174.8 | -70.6 | 179.8 | -173.5 | 166.6 | 0 | 111.3 | E520 | E520-K526 HydrophobicContact CB-CG 4.09Å; E520-K526 HydrophobicContact CG-CG 4.28Å; E520-K526 VanDerWaalsContact OE1-CE 3.31Å; E520-K526 WeakPolarHBondContact OE1-CE 3.34Å; E520-K526 IonicContact OE1-NZ 3.87Å; E520-K526 WeakPolarHBondContact OE2-CE 3.38Å; E520-K526 IonicContact OE2-NZ 3.27Å |
| 527 | P | 93.4 | Very high | 94.4 | Very high | 12 Ų | 12 | 54.6 Ų | 54.6 | 8% | 0.078 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 141.8 | 173.9 | -20.6 | 33.4 | 0 | 0 | 0 | 111.9 | L519 W531 W535 | L519-P527 HydrophobicContact CB-CG 4.23Å; L519-P527 HydrophobicContact CD1-CG 3.37Å; L519-P527 HydrophobicContact CG-CG 4.43Å; P527-W531 HydrophobicContact CB-CB 3.76Å; P527-W531 HydrophobicContact CB-CG 4.05Å; P527-W535 HydrophobicContact CB-CH2 4.39Å; P527-W535 HydrophobicContact CB-CZ3 3.97Å; P527-W535 HydrophobicContact CG-CH2 4.34Å; P527-W535 HydrophobicContact CG-CZ3 3.97Å |
| 528 | N | 93.4 | Very high | 94.3 | Very high | 100 Ų | 100 | 51.2 Ų | 51.2 | 54% | 0.535 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 168.4 | 175.2 | -65.9 | -24 | 0 | 0 | 0 | 113.9 | F530 W531 Q532 | N528-F530 PolarHBondContact O-N 3.47Å; N528-W531 PolarHBondContact O-N 2.9Å; N528-W531 VanDerWaalsContact O-N 3.16Å; N528-Q532 PolarHBondContact O-N 3.37Å |
| 529 | I | 94.2 | Very high | 94.2 | Very high | 149 Ų | 149 | 51 Ų | 51 | 76% | 0.764 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -58.8 | -35.5 | -179.5 | -61.7 | 166.2 | 0 | 0 | 0 | 111.6 | W531 Q532 A533 | I529-W531 PolarHBondContact O-N 2.7Å; I529-Q532 PolarHBondContact O-N 2.91Å; I529-A533 WeakPolarHBondContact O-CB 3.21Å; I529-A533 PolarHBondContact O-N 2.86Å |
| 530 | F | 95.6 | Very high | 94.1 | Very high | 87 Ų | 87 | 51.4 Ų | 51.4 | 38% | 0.382 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -54.3 | -51.7 | 175.4 | 172.3 | -101.7 | 0 | 0 | 0 | 112 | V80 N528 Q532 A533 T534 | V80-F530 HydrophobicContact CG1-CE2 4.38Å; V80-F530 HydrophobicContact CG1-CZ 4.06Å; N528-F530 PolarHBondContact O-N 3.47Å; F530-Q532 VanDerWaalsContact C-N 3.33Å; F530-Q532 PolarHBondContact O-N 3.09Å; F530-A533 PolarHBondContact O-N 3.08Å; F530-T534 HydrophobicContact CD2-CG2 4.21Å; F530-T534 HydrophobicContact CE1-CG2 4.32Å; F530-T534 HydrophobicContact CE2-CG2 3.77Å; F530-T534 HydrophobicContact CZ-CG2 3.83Å; F530-T534 WeakPolarHBondContact O-CG2 3.24Å; F530-T534 PolarHBondContact O-N 3.31Å; F530-T534 PolarHBondContact O-OG1 3.14Å |
| 531 | W | 94.9 | Very high | 93.9 | Very high | 10 Ų | 10 | 52.8 Ų | 52.8 | 4% | 0.038 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.4 | -40.1 | 177.8 | -59 | 120.5 | 0 | 0 | 0 | 112.2 | I84 H88 E301 V305 P527 N528 I529 T534 W535 | I84-W531 HydrophobicContact CG2-CH2 3.48Å; I84-W531 VanDerWaalsContact CG2-CH2 3.48Å; I84-W531 HydrophobicContact CG2-CZ3 3.74Å; H88-W531 HydrophobicContact CB-CH2 4.08Å; H88-W531 HydrophobicContact CB-CZ3 3.83Å; H88-W531 AromaticContact ND1-CD2 3.69Å; H88-W531 AromaticContact ND1-CE2 3.74Å; H88-W531 AromaticContact ND1-CE3 3.54Å; H88-W531 AromaticContact ND1-CH2 3.52Å; H88-W531 AromaticContact ND1-CZ2 3.68Å; H88-W531 AromaticContact ND1-CZ3 3.45Å; H88-W531 WeakPolarHBondContact ND1-CZ3 3.34Å; E301-W531 HydrophobicContact CG-CZ2 4.04Å; E301-W531 PolarHBondContact OE1-NE1 3.38Å; V305-W531 HydrophobicContact CG2-CH2 4.17Å; V305-W531 HydrophobicContact CG2-CZ2 4.05Å; P527-W531 HydrophobicContact CB-CB 3.76Å; P527-W531 HydrophobicContact CB-CG 4.05Å; N528-W531 PolarHBondContact O-N 2.9Å; N528-W531 VanDerWaalsContact O-N 3.16Å; I529-W531 PolarHBondContact O-N 2.7Å; W531-T534 WeakPolarHBondContact CA-OG1 3.47Å; W531-T534 PolarHBondContact O-OG1 3.45Å; W531-T534 VanDerWaalsContact O-OG1 3.1Å; W531-W535 HydrophobicContact CB-CD2 4.43Å; W531-W535 HydrophobicContact CB-CE3 3.93Å; W531-W535 HydrophobicContact CB-CH2 3.98Å; W531-W535 HydrophobicContact CB-CZ2 4.46Å; W531-W535 HydrophobicContact CB-CZ3 3.69Å; W531-W535 HydrophobicContact CE3-CH2 4.49Å; W531-W535 HydrophobicContact CE3-CZ2 4.05Å; W531-W535 HydrophobicContact CG-CH2 4.37Å; W531-W535 WeakPolarHBondContact O-CB 3.23Å; W531-W535 VanDerWaalsContact O-CE3 3.31Å; W531-W535 PolarHBondContact O-N 3.46Å |
| 532 | Q | 93.1 | Very high | 93.7 | Very high | 29 Ų | 29 | 52.4 Ų | 52.4 | 14% | 0.136 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66 | -39.5 | 177.6 | -62 | -59.3 | -53.5 | 0 | 0 | 112.4 | N516 N528 I529 F530 R536 | N516-Q532 VanDerWaalsContact CG-NE2 3.34Å; N516-Q532 PolarHBondContact ND2-NE2 2.75Å; N516-Q532 VanDerWaalsContact ND2-NE2 3.19Å; N516-Q532 PolarHBondContact ND2-OE1 3.16Å; N516-Q532 VanDerWaalsContact ND2-OE1 3.13Å; N516-Q532 PolarHBondContact OD1-NE2 3.29Å; N528-Q532 PolarHBondContact O-N 3.37Å; I529-Q532 PolarHBondContact O-N 2.91Å; F530-Q532 VanDerWaalsContact C-N 3.33Å; F530-Q532 PolarHBondContact O-N 3.09Å; Q532-R536 WeakPolarHBondContact O-CB 3.3Å; Q532-R536 WeakPolarHBondContact O-CD 3.43Å; Q532-R536 WeakPolarHBondContact O-CG 3.49Å; Q532-R536 PolarHBondContact O-N 3.39Å |
| 533 | A | 94.9 | Very high | 93.5 | Very high | 38 Ų | 38 | 52.4 Ų | 52.4 | 31% | 0.314 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -70.5 | -43.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I529 F530 V537 I538 | I529-A533 WeakPolarHBondContact O-CB 3.21Å; I529-A533 PolarHBondContact O-N 2.86Å; F530-A533 PolarHBondContact O-N 3.08Å; A533-V537 PolarHBondContact O-N 3.25Å; A533-V537 VanDerWaalsContact O-N 3.12Å; A533-I538 HydrophobicContact CB-CD1 4.09Å; A533-I538 PolarHBondContact O-N 3.1Å; A533-I538 VanDerWaalsContact O-N 3.08Å |
| 534 | T | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | I | π-helix | trans | -65.5 | -50.7 | 179.6 | 47.6 | 0 | 0 | 0 | 0 | 112.3 | P85 F530 W531 I538 S539 P540 | P85-T534 HydrophobicContact CG-CG2 3.89Å; F530-T534 HydrophobicContact CD2-CG2 4.21Å; F530-T534 HydrophobicContact CE1-CG2 4.32Å; F530-T534 HydrophobicContact CE2-CG2 3.77Å; F530-T534 HydrophobicContact CZ-CG2 3.83Å; F530-T534 WeakPolarHBondContact O-CG2 3.24Å; F530-T534 PolarHBondContact O-N 3.31Å; F530-T534 PolarHBondContact O-OG1 3.14Å; W531-T534 WeakPolarHBondContact CA-OG1 3.47Å; W531-T534 PolarHBondContact O-OG1 3.45Å; W531-T534 VanDerWaalsContact O-OG1 3.1Å; T534-I538 HydrophobicContact CG2-CD1 4.32Å; T534-I538 PolarHBondContact O-N 3.49Å; T534-S539 VanDerWaalsContact C-OG 3.24Å; T534-S539 PolarHBondContact O-N 2.79Å; T534-S539 PolarHBondContact O-OG 3.09Å; T534-P540 WeakPolarHBondContact O-CD 3.43Å |
| 535 | W | 94.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 57.6 Ų | 57.6 | 0% | 0.004 | 29% | 0.286 | C | S | . | . | I | π-helix | trans | -67.3 | -38.6 | 179.6 | -68 | -36.5 | 0 | 0 | 0 | 113.6 | P85 H88 V507 M512 F515 L519 P527 W531 P540 | P85-W535 PolarHBondContact O-NE1 3.09Å; H88-W535 HydrophobicContact CB-CZ2 4.25Å; H88-W535 AromaticContact CE1-CH2 3.77Å; H88-W535 AromaticContact CG-CZ2 3.88Å; H88-W535 AromaticContact ND1-CH2 3.66Å; H88-W535 AromaticContact ND1-CZ2 3.45Å; H88-W535 WeakPolarHBondContact ND1-CZ2 3.43Å; V507-W535 HydrophobicContact CG2-CB 4.04Å; V507-W535 WeakPolarHBondContact CG2-O 3.46Å; M512-W535 HydrophobicContact CE-CD2 4.32Å; M512-W535 HydrophobicContact CE-CE3 3.44Å; M512-W535 VanDerWaalsContact CE-CE3 3.44Å; M512-W535 HydrophobicContact CE-CZ3 3.79Å; M512-W535 HydrophobicContact SD-CB 4.16Å; M512-W535 HydrophobicContact SD-CE3 4.15Å; F515-W535 HydrophobicContact CD1-CZ3 4.4Å; F515-W535 AromaticContact CE1-CH2 3.92Å; F515-W535 HydrophobicContact CE1-CH2 3.92Å; F515-W535 HydrophobicContact CE1-CZ2 4.31Å; F515-W535 HydrophobicContact CE1-CZ3 4.08Å; L519-W535 HydrophobicContact CD1-CH2 3.87Å; L519-W535 HydrophobicContact CD1-CZ3 4.15Å; P527-W535 HydrophobicContact CB-CH2 4.39Å; P527-W535 HydrophobicContact CB-CZ3 3.97Å; P527-W535 HydrophobicContact CG-CH2 4.34Å; P527-W535 HydrophobicContact CG-CZ3 3.97Å; W531-W535 HydrophobicContact CB-CD2 4.43Å; W531-W535 HydrophobicContact CB-CE3 3.93Å; W531-W535 HydrophobicContact CB-CH2 3.98Å; W531-W535 HydrophobicContact CB-CZ2 4.46Å; W531-W535 HydrophobicContact CB-CZ3 3.69Å; W531-W535 HydrophobicContact CE3-CH2 4.49Å; W531-W535 HydrophobicContact CE3-CZ2 4.05Å; W531-W535 HydrophobicContact CG-CH2 4.37Å; W531-W535 WeakPolarHBondContact O-CB 3.23Å; W531-W535 VanDerWaalsContact O-CE3 3.31Å; W531-W535 PolarHBondContact O-N 3.46Å; W535-P540 VanDerWaalsContact O-CG 3.31Å; W535-P540 WeakPolarHBondContact O-CG 3.34Å |
| 536 | R | 92.3 | Very high | 92.8 | Very high | 93 Ų | 93 | 54 Ų | 54 | 35% | 0.351 | 27% | 0.27 | S | S | . | . | I | π-helix | trans | -82.6 | -28.5 | -173 | -64.9 | 175.8 | -174.3 | -134.3 | -5.7 | 114.1 | V507 Y508 M512 D513 Q532 | V507-R536 HydrophobicContact CG1-CG 4.33Å; Y508-R536 PolarHBondContact OH-O 2.94Å; M512-R536 HydrophobicContact CG-CG 4.17Å; D513-R536 IonicContact OD1-NH2 2.72Å; D513-R536 PolarHBondContact OD1-NH2 3.36Å; Q532-R536 WeakPolarHBondContact O-CB 3.3Å; Q532-R536 WeakPolarHBondContact O-CD 3.43Å; Q532-R536 WeakPolarHBondContact O-CG 3.49Å; Q532-R536 PolarHBondContact O-N 3.39Å |
| 537 | V | 91.9 | Very high | 92.5 | Very high | 82 Ų | 82 | 50.5 Ų | 50.5 | 50% | 0.497 | 26% | 0.256 | S | S | . | . | I | π-helix | trans | -139.7 | -57.8 | -168.2 | -176.6 | 0 | 0 | 0 | 0 | 112.3 | A533 P540 L541 | A533-V537 PolarHBondContact O-N 3.25Å; A533-V537 VanDerWaalsContact O-N 3.12Å; V537-P540 WeakPolarHBondContact O-CD 3.49Å; V537-L541 HydrophobicContact CG1-CD1 3.62Å; V537-L541 WeakPolarHBondContact O-CB 3.39Å; V537-L541 WeakPolarHBondContact O-CG 3.49Å; V537-L541 PolarHBondContact O-N 3.22Å |
| 538 | I | 94.2 | Very high | 92.2 | Very high | 62 Ų | 62 | 54.8 Ų | 54.8 | 32% | 0.318 | 28% | 0.277 | S | S | . | . | I | π-helix | trans | -66.6 | -60.1 | -165.3 | -56.8 | 168.4 | 0 | 0 | 0 | 111.6 | L81 A533 T534 L541 I542 | L81-I538 HydrophobicContact CB-CG2 4.37Å; L81-I538 HydrophobicContact CD1-CG2 4.36Å; L81-I538 HydrophobicContact CD2-CG2 4.37Å; A533-I538 HydrophobicContact CB-CD1 4.09Å; A533-I538 PolarHBondContact O-N 3.1Å; A533-I538 VanDerWaalsContact O-N 3.08Å; T534-I538 HydrophobicContact CG2-CD1 4.32Å; T534-I538 PolarHBondContact O-N 3.49Å; I538-L541 PolarHBondContact O-N 3.28Å; I538-I542 HydrophobicContact CG2-CD1 3.67Å; I538-I542 HydrophobicContact CG2-CG1 4.4Å; I538-I542 WeakPolarHBondContact O-CG1 3.29Å; I538-I542 PolarHBondContact O-N 3.05Å |
| 539 | S | 93.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.3 | -42.1 | -177 | -11.3 | 0 | 0 | 0 | 0 | 112.8 | L81 T534 L541 I542 M543 | L81-S539 WeakPolarHBondContact O-CB 3.4Å; L81-S539 PolarHBondContact O-OG 3.1Å; L81-S539 VanDerWaalsContact O-OG 3.08Å; T534-S539 VanDerWaalsContact C-OG 3.24Å; T534-S539 PolarHBondContact O-N 2.79Å; T534-S539 PolarHBondContact O-OG 3.09Å; S539-L541 VanDerWaalsContact C-N 3.3Å; S539-L541 PolarHBondContact O-N 3.12Å; S539-I542 PolarHBondContact O-N 3.34Å; S539-M543 WeakPolarHBondContact O-CG 3.4Å; S539-M543 PolarHBondContact O-N 3.26Å |
| 540 | P | 91.9 | Very high | 91.2 | Very high | 8 Ų | 8 | 45.4 Ų | 45.4 | 5% | 0.052 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.5 | -38.3 | 175.8 | -21.5 | 26.7 | 0 | 0 | 0 | 113.5 | M503 T534 W535 V537 I544 | M503-P540 HydrophobicContact CE-CB 3.79Å; M503-P540 VanDerWaalsContact CE-CD 3.44Å; M503-P540 HydrophobicContact CE-CG 3.46Å; M503-P540 VanDerWaalsContact CE-CG 3.46Å; M503-P540 HydrophobicContact SD-CG 3.86Å; T534-P540 WeakPolarHBondContact O-CD 3.43Å; W535-P540 VanDerWaalsContact O-CG 3.31Å; W535-P540 WeakPolarHBondContact O-CG 3.34Å; V537-P540 WeakPolarHBondContact O-CD 3.49Å; P540-I544 VanDerWaalsContact O-CG1 3.28Å; P540-I544 WeakPolarHBondContact O-CG1 3.05Å; P540-I544 PolarHBondContact O-N 3.4Å; P540-I544 VanDerWaalsContact O-N 3.14Å |
| 541 | L | 92.8 | Very high | 90.5 | Very high | 106 Ų | 106 | 46.1 Ų | 46.1 | 56% | 0.555 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -70.2 | -41 | 177.3 | -72.1 | 175 | 0 | 0 | 0 | 111.9 | V537 I538 S539 I544 F545 | V537-L541 HydrophobicContact CG1-CD1 3.62Å; V537-L541 WeakPolarHBondContact O-CB 3.39Å; V537-L541 WeakPolarHBondContact O-CG 3.49Å; V537-L541 PolarHBondContact O-N 3.22Å; I538-L541 PolarHBondContact O-N 3.28Å; S539-L541 VanDerWaalsContact C-N 3.3Å; S539-L541 PolarHBondContact O-N 3.12Å; L541-I544 PolarHBondContact O-N 3.01Å; L541-F545 WeakPolarHBondContact O-CB 3.23Å; L541-F545 PolarHBondContact O-N 2.87Å |
| 542 | I | 92 | Very high | 89.9 | Confident | 34 Ų | 34 | 49.4 Ų | 49.4 | 17% | 0.174 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.7 | -48.7 | 175.6 | -69.5 | 173.2 | 0 | 0 | 0 | 110.3 | L78 L81 I538 S539 I544 F545 I546 | L78-I542 HydrophobicContact CD2-CG2 3.61Å; L81-I542 HydrophobicContact CB-CD1 3.82Å; L81-I542 HydrophobicContact CD1-CD1 4.06Å; I538-I542 HydrophobicContact CG2-CD1 3.67Å; I538-I542 HydrophobicContact CG2-CG1 4.4Å; I538-I542 WeakPolarHBondContact O-CG1 3.29Å; I538-I542 PolarHBondContact O-N 3.05Å; S539-I542 PolarHBondContact O-N 3.34Å; I542-I544 VanDerWaalsContact C-N 3.34Å; I542-I544 PolarHBondContact O-N 2.91Å; I542-F545 WeakPolarHBondContact O-CB 3.41Å; I542-F545 PolarHBondContact O-N 3.09Å; I542-F545 VanDerWaalsContact O-N 3.1Å; I542-I546 HydrophobicContact CG2-CD1 3.67Å; I542-I546 HydrophobicContact CG2-CG1 4.3Å; I542-I546 WeakPolarHBondContact O-CG1 3Å; I542-I546 PolarHBondContact O-N 3.11Å |
| 543 | M | 89.8 | Confident | 89.3 | Confident | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.02 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.6 | -43.7 | 177.7 | -75.7 | 179.2 | -150.4 | 0 | 0 | 112.6 | E82 L86 F277 F500 M503 S539 F545 I546 L547 | E82-M543 HydrophobicContact CG-CE 3.85Å; E82-M543 HydrophobicContact CG-CG 4.43Å; E82-M543 WeakPolarHBondContact OE1-CG 3.21Å; L86-M543 HydrophobicContact CD1-CE 4.44Å; L86-M543 HydrophobicContact CD2-CE 4.12Å; F277-M543 HydrophobicContact CZ-CE 4.24Å; F277-M543 HydrophobicContact CZ-CG 4.3Å; F277-M543 HydrophobicContact CZ-SD 4.35Å; F500-M543 VanDerWaalsContact CA-SD 3.59Å; F500-M543 HydrophobicContact CB-CB 4.44Å; F500-M543 HydrophobicContact CB-SD 4.15Å; F500-M543 HydrophobicContact CD2-CB 4.18Å; M503-M543 HydrophobicContact CE-CE 3.2Å; M503-M543 HydrophobicContact CE-CG 4.4Å; M503-M543 HydrophobicContact CE-SD 3.32Å; M503-M543 WeakPolarHBondContact CE-SD 3.3Å; M503-M543 HydrophobicContact CG-CE 4.36Å; M503-M543 HydrophobicContact SD-CE 3.89Å; S539-M543 WeakPolarHBondContact O-CG 3.4Å; S539-M543 PolarHBondContact O-N 3.26Å; M543-F545 VanDerWaalsContact C-N 3.32Å; M543-F545 PolarHBondContact O-N 3.48Å; M543-I546 PolarHBondContact O-N 3.45Å; M543-L547 VanDerWaalsContact O-CB 3.24Å; M543-L547 WeakPolarHBondContact O-CB 3.43Å; M543-L547 PolarHBondContact O-N 3.34Å |
| 544 | I | 90.7 | Very high | 88.4 | Confident | 67 Ų | 67 | 50.2 Ų | 50.2 | 34% | 0.344 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.7 | -43.7 | 176.2 | -72 | 168.6 | 0 | 0 | 0 | 110.4 | F500 P540 L541 I542 L547 I548 | F500-I544 HydrophobicContact CD2-CG1 4.08Å; F500-I544 HydrophobicContact CE2-CD1 3.69Å; F500-I544 HydrophobicContact CE2-CG1 3.47Å; F500-I544 VanDerWaalsContact CE2-CG1 3.47Å; F500-I544 HydrophobicContact CZ-CD1 4.07Å; F500-I544 HydrophobicContact CZ-CG1 4.01Å; P540-I544 VanDerWaalsContact O-CG1 3.28Å; P540-I544 WeakPolarHBondContact O-CG1 3.05Å; P540-I544 PolarHBondContact O-N 3.4Å; P540-I544 VanDerWaalsContact O-N 3.14Å; L541-I544 PolarHBondContact O-N 3.01Å; I542-I544 VanDerWaalsContact C-N 3.34Å; I542-I544 PolarHBondContact O-N 2.91Å; I544-L547 PolarHBondContact O-N 3.3Å; I544-I548 HydrophobicContact CG2-CD1 3.64Å; I544-I548 HydrophobicContact CG2-CG1 4.34Å; I544-I548 WeakPolarHBondContact O-CB 3.24Å; I544-I548 VanDerWaalsContact O-CG1 3.26Å; I544-I548 WeakPolarHBondContact O-CG1 3.24Å; I544-I548 PolarHBondContact O-N 3.41Å |
| 545 | F | 89.2 | Confident | 87.5 | Confident | 132 Ų | 132 | 56.2 Ų | 56.2 | 58% | 0.579 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -62.2 | -48.9 | 179 | -179.7 | -96.7 | 0 | 0 | 0 | 111.6 | L541 I542 M543 L547 I548 F549 | L541-F545 WeakPolarHBondContact O-CB 3.23Å; L541-F545 PolarHBondContact O-N 2.87Å; I542-F545 WeakPolarHBondContact O-CB 3.41Å; I542-F545 PolarHBondContact O-N 3.09Å; I542-F545 VanDerWaalsContact O-N 3.1Å; M543-F545 VanDerWaalsContact C-N 3.32Å; M543-F545 PolarHBondContact O-N 3.48Å; F545-L547 VanDerWaalsContact C-N 3.35Å; F545-L547 PolarHBondContact O-N 2.94Å; F545-I548 PolarHBondContact O-N 3.01Å; F545-F549 VanDerWaalsContact O-CB 3.29Å; F545-F549 WeakPolarHBondContact O-CB 3.45Å; F545-F549 PolarHBondContact O-N 2.78Å |
| 546 | I | 87.8 | Confident | 86.6 | Confident | 7 Ų | 7 | 61.2 Ų | 61.2 | 4% | 0.036 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60 | -45.6 | 177 | -65.6 | 170.1 | 0 | 0 | 0 | 110.3 | L78 E82 L496 I542 M543 F549 Y550 | L78-I546 HydrophobicContact CD2-CD1 4.35Å; E82-I546 WeakPolarHBondContact OE2-CD1 3.38Å; L496-I546 HydrophobicContact CD1-CG2 3.87Å; L496-I546 HydrophobicContact CD2-CG2 4.03Å; I542-I546 HydrophobicContact CG2-CD1 3.67Å; I542-I546 HydrophobicContact CG2-CG1 4.3Å; I542-I546 WeakPolarHBondContact O-CG1 3Å; I542-I546 PolarHBondContact O-N 3.11Å; M543-I546 PolarHBondContact O-N 3.45Å; I546-F549 PolarHBondContact O-N 3.09Å; I546-Y550 VanDerWaalsContact O-CB 3.25Å; I546-Y550 WeakPolarHBondContact O-CB 3.31Å; I546-Y550 PolarHBondContact O-N 3.49Å |
| 547 | L | 86.6 | Confident | 86 | Confident | 39 Ų | 39 | 63.1 Ų | 63.1 | 20% | 0.204 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.3 | -48.1 | 180 | -169 | 84.3 | 0 | 0 | 0 | 111.7 | L496 V497 M543 I544 F545 F549 Y550 F551 | L496-L547 HydrophobicContact CB-CD1 4.22Å; V497-L547 HydrophobicContact CG2-CD1 3.64Å; M543-L547 VanDerWaalsContact O-CB 3.24Å; M543-L547 WeakPolarHBondContact O-CB 3.43Å; M543-L547 PolarHBondContact O-N 3.34Å; I544-L547 PolarHBondContact O-N 3.3Å; F545-L547 VanDerWaalsContact C-N 3.35Å; F545-L547 PolarHBondContact O-N 2.94Å; L547-F549 VanDerWaalsContact C-N 3.34Å; L547-F549 PolarHBondContact O-N 3.2Å; L547-Y550 PolarHBondContact O-N 3.43Å; L547-F551 HydrophobicContact CD1-CE2 4Å; L547-F551 HydrophobicContact CD2-CE2 4.17Å; L547-F551 HydrophobicContact CG-CD2 4.02Å; L547-F551 HydrophobicContact CG-CE2 3.78Å; L547-F551 WeakPolarHBondContact O-CD2 3.46Å; L547-F551 PolarHBondContact O-N 3.46Å |
| 548 | I | 86.8 | Confident | 85.5 | Confident | 102 Ų | 102 | 65.9 Ų | 65.9 | 52% | 0.523 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.8 | -47.7 | 177.8 | -70.1 | 169.1 | 0 | 0 | 0 | 109.8 | I544 F545 Y550 F551 V552 | I544-I548 HydrophobicContact CG2-CD1 3.64Å; I544-I548 HydrophobicContact CG2-CG1 4.34Å; I544-I548 WeakPolarHBondContact O-CB 3.24Å; I544-I548 VanDerWaalsContact O-CG1 3.26Å; I544-I548 WeakPolarHBondContact O-CG1 3.24Å; I544-I548 PolarHBondContact O-N 3.41Å; F545-I548 PolarHBondContact O-N 3.01Å; I548-Y550 VanDerWaalsContact C-N 3.29Å; I548-Y550 PolarHBondContact O-N 2.9Å; I548-F551 PolarHBondContact O-N 3.11Å; I548-V552 HydrophobicContact CG2-CG2 4.43Å; I548-V552 WeakPolarHBondContact O-CG2 3.07Å; I548-V552 PolarHBondContact O-N 3.38Å |
| 549 | F | 84.1 | Confident | 85.1 | Confident | 44 Ų | 44 | 64.2 Ų | 64.2 | 19% | 0.193 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.5 | -36.8 | -177.7 | -168.6 | -98.9 | 0 | 0 | 0 | 112.1 | P266 L270 F545 I546 L547 V552 T553 | P266-F549 VanDerWaalsContact C-CE1 3.49Å; P266-F549 HydrophobicContact CB-CD1 4.02Å; P266-F549 HydrophobicContact CB-CD2 4.13Å; P266-F549 HydrophobicContact CB-CE1 3.25Å; P266-F549 HydrophobicContact CB-CE2 3.39Å; P266-F549 HydrophobicContact CB-CG 4.45Å; P266-F549 HydrophobicContact CB-CZ 2.96Å; P266-F549 HydrophobicContact CG-CE2 4.01Å; P266-F549 HydrophobicContact CG-CZ 3.87Å; P266-F549 WeakPolarHBondContact O-CE1 3.26Å; L270-F549 HydrophobicContact CB-CD1 4.1Å; L270-F549 HydrophobicContact CB-CE1 4.48Å; L270-F549 HydrophobicContact CD1-CD1 3.79Å; L270-F549 HydrophobicContact CD1-CE1 4.16Å; F545-F549 VanDerWaalsContact O-CB 3.29Å; F545-F549 WeakPolarHBondContact O-CB 3.45Å; F545-F549 PolarHBondContact O-N 2.78Å; I546-F549 PolarHBondContact O-N 3.09Å; L547-F549 VanDerWaalsContact C-N 3.34Å; L547-F549 PolarHBondContact O-N 3.2Å; F549-V552 PolarHBondContact O-N 3.42Å; F549-T553 HydrophobicContact CD1-CG2 4.08Å; F549-T553 HydrophobicContact CE1-CG2 3.26Å; F549-T553 HydrophobicContact CE2-CG2 4.16Å; F549-T553 HydrophobicContact CZ-CG2 3.22Å; F549-T553 WeakPolarHBondContact O-CG2 3.37Å; F549-T553 PolarHBondContact O-N 3.41Å; F549-T553 PolarHBondContact O-OG1 3.03Å |
| 550 | Y | 82.5 | Confident | 84.9 | Confident | 9 Ų | 9 | 67 Ų | 67 | 4% | 0.035 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.4 | -47.2 | 173 | -173.5 | -77.5 | 0 | 0 | 0 | 112.3 | L270 I493 I546 L547 I548 V552 T553 Q554 | L270-Y550 VanDerWaalsContact CD1-CA 3.43Å; L270-Y550 HydrophobicContact CD1-CD2 3.67Å; L270-Y550 HydrophobicContact CD1-CG 4.08Å; L270-Y550 HydrophobicContact CD2-CD2 3.72Å; L270-Y550 HydrophobicContact CD2-CE2 4.18Å; L270-Y550 HydrophobicContact CG-CD2 3.86Å; I493-Y550 HydrophobicContact CD1-CD1 4.28Å; I493-Y550 HydrophobicContact CD1-CE1 3.41Å; I493-Y550 VanDerWaalsContact CD1-CE1 3.41Å; I493-Y550 HydrophobicContact CG1-CD1 3.91Å; I493-Y550 HydrophobicContact CG1-CE1 3.13Å; I546-Y550 VanDerWaalsContact O-CB 3.25Å; I546-Y550 WeakPolarHBondContact O-CB 3.31Å; I546-Y550 PolarHBondContact O-N 3.49Å; L547-Y550 PolarHBondContact O-N 3.43Å; I548-Y550 VanDerWaalsContact C-N 3.29Å; I548-Y550 PolarHBondContact O-N 2.9Å; Y550-V552 VanDerWaalsContact C-N 3.31Å; Y550-V552 PolarHBondContact O-N 2.89Å; Y550-T553 WeakPolarHBondContact CA-OG1 3.44Å; Y550-T553 PolarHBondContact O-N 3.46Å; Y550-T553 PolarHBondContact O-OG1 2.91Å; Y550-Q554 HydrophobicContact CD1-CG 3.79Å; Y550-Q554 HydrophobicContact CE1-CB 4.39Å; Y550-Q554 HydrophobicContact CE1-CG 3.27Å; Y550-Q554 HydrophobicContact CE2-CG 4.44Å; Y550-Q554 WeakPolarHBondContact O-CB 3.07Å; Y550-Q554 WeakPolarHBondContact O-CG 3.32Å; Y550-Q554 PolarHBondContact O-N 3Å; Y550-Q554 PolarHBondContact OH-NE2 3.15Å; Y550-Q554 VanDerWaalsContact OH-NE2 3.16Å |
| 551 | F | 81.1 | Confident | 84.7 | Confident | 102 Ų | 102 | 67.5 Ų | 67.5 | 45% | 0.447 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 175.8 | -82.9 | -67.8 | 0 | 0 | 0 | 112.1 | I493 L547 I548 V555 | I493-F551 HydrophobicContact CG2-CZ 4.46Å; L547-F551 HydrophobicContact CD1-CE2 4Å; L547-F551 HydrophobicContact CD2-CE2 4.17Å; L547-F551 HydrophobicContact CG-CD2 4.02Å; L547-F551 HydrophobicContact CG-CE2 3.78Å; L547-F551 WeakPolarHBondContact O-CD2 3.46Å; L547-F551 PolarHBondContact O-N 3.46Å; I548-F551 PolarHBondContact O-N 3.11Å; F551-V555 WeakPolarHBondContact O-CB 3.34Å; F551-V555 WeakPolarHBondContact O-CG2 3.41Å; F551-V555 PolarHBondContact O-N 3.33Å; F551-V555 VanDerWaalsContact O-N 3.14Å |
| 552 | V | 82.6 | Confident | 84.5 | Confident | 78 Ų | 78 | 65.8 Ų | 65.8 | 47% | 0.473 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.8 | -48.3 | 177.3 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | I548 F549 Y550 V555 T556 | I548-V552 HydrophobicContact CG2-CG2 4.43Å; I548-V552 WeakPolarHBondContact O-CG2 3.07Å; I548-V552 PolarHBondContact O-N 3.38Å; F549-V552 PolarHBondContact O-N 3.42Å; Y550-V552 VanDerWaalsContact C-N 3.31Å; Y550-V552 PolarHBondContact O-N 2.89Å; V552-V555 PolarHBondContact O-N 2.93Å; V552-T556 WeakPolarHBondContact O-CG2 3.43Å; V552-T556 PolarHBondContact O-N 3.34Å; V552-T556 PolarHBondContact O-OG1 3.47Å; V552-T556 VanDerWaalsContact O-OG1 3.09Å |
| 553 | T | 79.8 | Confident | 84.4 | Confident | 21 Ų | 21 | 64.2 Ų | 64.2 | 13% | 0.129 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.9 | -37.1 | -178.5 | 46.2 | 0 | 0 | 0 | 0 | 113.7 | L270 F549 Y550 T556 K557 | L270-T553 WeakPolarHBondContact CD1-OG1 3.37Å; F549-T553 HydrophobicContact CD1-CG2 4.08Å; F549-T553 HydrophobicContact CE1-CG2 3.26Å; F549-T553 HydrophobicContact CE2-CG2 4.16Å; F549-T553 HydrophobicContact CZ-CG2 3.22Å; F549-T553 WeakPolarHBondContact O-CG2 3.37Å; F549-T553 PolarHBondContact O-N 3.41Å; F549-T553 PolarHBondContact O-OG1 3.03Å; Y550-T553 WeakPolarHBondContact CA-OG1 3.44Å; Y550-T553 PolarHBondContact O-N 3.46Å; Y550-T553 PolarHBondContact O-OG1 2.91Å; T553-T556 PolarHBondContact O-N 3.28Å; T553-T556 PolarHBondContact O-OG1 2.97Å; T553-K557 WeakPolarHBondContact O-CG 3.4Å; T553-K557 PolarHBondContact O-N 3.15Å |
| 554 | Q | 76.1 | Confident | 84.4 | Confident | 64 Ų | 64 | 64.1 Ų | 64.1 | 30% | 0.299 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -70.8 | -31.6 | 177.6 | -74.5 | -63.8 | -13.7 | 0 | 0 | 113.3 | Y550 T556 | Y550-Q554 HydrophobicContact CD1-CG 3.79Å; Y550-Q554 HydrophobicContact CE1-CB 4.39Å; Y550-Q554 HydrophobicContact CE1-CG 3.27Å; Y550-Q554 HydrophobicContact CE2-CG 4.44Å; Y550-Q554 WeakPolarHBondContact O-CB 3.07Å; Y550-Q554 WeakPolarHBondContact O-CG 3.32Å; Y550-Q554 PolarHBondContact O-N 3Å; Y550-Q554 PolarHBondContact OH-NE2 3.15Å; Y550-Q554 VanDerWaalsContact OH-NE2 3.16Å; Q554-T556 VanDerWaalsContact C-N 3.34Å |
| 555 | V | 76.3 | Confident | 84.4 | Confident | 125 Ų | 125 | 62.1 Ų | 62.1 | 76% | 0.758 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -76.2 | -25.4 | 178 | 172.9 | 0 | 0 | 0 | 0 | 111.6 | F551 V552 | F551-V555 WeakPolarHBondContact O-CB 3.34Å; F551-V555 WeakPolarHBondContact O-CG2 3.41Å; F551-V555 PolarHBondContact O-N 3.33Å; F551-V555 VanDerWaalsContact O-N 3.14Å; V552-V555 PolarHBondContact O-N 2.93Å |
| 556 | T | 77.5 | Confident | 84.2 | Confident | 107 Ų | 107 | 59.2 Ų | 59.2 | 66% | 0.656 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -92.5 | -22.3 | -177.7 | 54.5 | 0 | 0 | 0 | 0 | 114.6 | V552 T553 Q554 | V552-T556 WeakPolarHBondContact O-CG2 3.43Å; V552-T556 PolarHBondContact O-N 3.34Å; V552-T556 PolarHBondContact O-OG1 3.47Å; V552-T556 VanDerWaalsContact O-OG1 3.09Å; T553-T556 PolarHBondContact O-N 3.28Å; T553-T556 PolarHBondContact O-OG1 2.97Å; Q554-T556 VanDerWaalsContact C-N 3.34Å |
| 557 | K | 78.8 | Confident | 84.2 | Confident | 132 Ų | 132 | 67.6 Ų | 67.6 | 57% | 0.574 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -88.5 | 135.9 | -178.9 | -73.6 | -174.3 | 176 | -172.1 | 0 | 112.1 | T553 | T553-K557 WeakPolarHBondContact O-CG 3.4Å; T553-K557 PolarHBondContact O-N 3.15Å |
| 558 | E | 81.9 | Confident | 84.2 | Confident | 140 Ų | 140 | 66.6 Ų | 66.6 | 65% | 0.654 | 34% | 0.341 | S | S | * | . | trans | -73.8 | 134.2 | 164.6 | -63.4 | -175.7 | 168.4 | 0 | 0 | 109.2 | T560 Y578 | E558-T560 PolarHBondContact O-N 3.3Å; E558-Y578 HydrophobicContact CB-CE1 4.16Å; E558-Y578 VanDerWaalsContact OE2-CE1 3.26Å; E558-Y578 WeakPolarHBondContact OE2-CE1 3.26Å; E558-Y578 PolarHBondContact OE2-OH 3.12Å | ||
| 559 | L | 85.1 | Confident | 84.1 | Confident | 27 Ų | 27 | 71.4 Ų | 71.4 | 14% | 0.141 | 36% | 0.362 | C | S | . | . | trans | -85.4 | 111.6 | -176.5 | -65.8 | 177.7 | 0 | 0 | 0 | 110.4 | F489 Y579 Y584 I587 | F489-L559 HydrophobicContact CZ-CD1 4.17Å; F489-L559 HydrophobicContact CZ-CD2 3.85Å; L559-Y579 HydrophobicContact CB-CD2 3.86Å; L559-Y579 PolarHBondContact O-N 3.29Å; L559-Y579 VanDerWaalsContact O-N 3.16Å; L559-Y584 HydrophobicContact CD1-CD1 4.22Å; L559-Y584 HydrophobicContact CD1-CE1 3.56Å; L559-Y584 HydrophobicContact CG-CE1 4.43Å; L559-I587 HydrophobicContact CD1-CD1 3.55Å | ||
| 560 | T | 89.1 | Confident | 83.9 | Confident | 59 Ų | 59 | 72 Ų | 72 | 36% | 0.362 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 161.3 | 174.3 | 58.2 | 0 | 0 | 0 | 0 | 111.7 | E558 R577 Y578 Y579 | E558-T560 PolarHBondContact O-N 3.3Å; T560-R577 CarbonylContact C-O 3.6Å; T560-R577 VanDerWaalsContact CA-O 3.23Å; T560-R577 WeakPolarHBondContact CA-O 3.47Å; T560-Y578 HydrophobicContact CG2-CD1 3.82Å; T560-Y578 HydrophobicContact CG2-CE1 3.83Å; T560-Y579 WeakPolarHBondContact O-CE2 3.4Å |
| 561 | Y | 89.1 | Confident | 84 | Confident | 19 Ų | 19 | 72.2 Ų | 72.2 | 8% | 0.075 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 154 | 171.5 | 68.9 | -73 | 0 | 0 | 0 | 111.2 | I188 Y481 V563 R577 Y578 Y579 | I188-Y561 HydrophobicContact CB-CE2 4.36Å; I188-Y561 PolarHBondContact N-OH 3.49Å; Y481-Y561 AromaticContact CD1-CD2 3.86Å; Y481-Y561 HydrophobicContact CD1-CD2 3.86Å; Y481-Y561 HydrophobicContact CD1-CE2 4.12Å; Y481-Y561 HydrophobicContact CD2-CE2 4.3Å; Y481-Y561 HydrophobicContact CE1-CD2 4.33Å; Y481-Y561 HydrophobicContact CE1-CE2 4.44Å; Y481-Y561 HydrophobicContact CG-CD2 4.14Å; Y481-Y561 HydrophobicContact CG-CE2 4.07Å; Y561-V563 HydrophobicContact CD2-CG2 3.58Å; Y561-V563 HydrophobicContact CE2-CG2 3.2Å; Y561-R577 HydrophobicContact CD1-CB 4.4Å; Y561-R577 WeakPolarHBondContact CD1-O 3.44Å; Y561-R577 HydrophobicContact CE1-CB 3.89Å; Y561-R577 PolarHBondContact N-O 2.9Å; Y561-R577 PolarHBondContact O-N 3.49Å; Y561-Y578 WeakPolarHBondContact CE1-O 3.48Å; Y561-Y579 VanDerWaalsContact CB-CZ 3.49Å; Y561-Y579 WeakPolarHBondContact CB-OH 3.48Å; Y561-Y579 AromaticContact CD1-CD1 3.76Å; Y561-Y579 HydrophobicContact CD1-CD1 3.76Å; Y561-Y579 AromaticContact CD1-CD2 4Å; Y561-Y579 HydrophobicContact CD1-CD2 4Å; Y561-Y579 AromaticContact CD1-CE1 3.84Å; Y561-Y579 HydrophobicContact CD1-CE1 3.84Å; Y561-Y579 HydrophobicContact CD1-CE2 4.08Å; Y561-Y579 AromaticContact CD1-CG 3.87Å; Y561-Y579 HydrophobicContact CD1-CG 3.87Å; Y561-Y579 HydrophobicContact CE1-CD1 4.14Å; Y561-Y579 HydrophobicContact CE1-CE1 4.47Å; Y561-Y579 HydrophobicContact CE1-CG 4.41Å; Y561-Y579 HydrophobicContact CG-CD1 4.36Å; Y561-Y579 AromaticContact CG-CE1 3.96Å; Y561-Y579 HydrophobicContact CG-CE1 3.96Å; Y561-Y579 HydrophobicContact CG-CE2 4.21Å; Y561-Y579 AromaticContact CG-CZ 3.9Å |
| 562 | L | 88.1 | Confident | 84 | Confident | 70 Ų | 70 | 70.2 Ų | 70.2 | 37% | 0.366 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 132.4 | -178 | -65.5 | 175.2 | 0 | 0 | 0 | 111.1 | Y481 L574 E576 | Y481-L562 VanDerWaalsContact CE1-O 3.24Å; Y481-L562 WeakPolarHBondContact CE1-O 3.35Å; L562-L574 HydrophobicContact CB-CB 3.96Å; L562-L574 HydrophobicContact CB-CD1 4.01Å; L562-L574 HydrophobicContact CB-CG 4.48Å; L562-L574 HydrophobicContact CD1-CD1 4.09Å; L562-L574 HydrophobicContact CD2-CB 4.14Å; L562-L574 HydrophobicContact CG-CB 4.47Å; L562-E576 HydrophobicContact CD2-CG 3.6Å |
| 563 | V | 90.1 | Very high | 84 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 141.7 | -174.7 | 176 | 0 | 0 | 0 | 0 | 110.9 | T186 Y481 Y561 D565 L574 A575 R577 | T186-V563 WeakPolarHBondContact O-CG1 3.39Å; Y481-V563 HydrophobicContact CE1-CG2 4.37Å; Y561-V563 HydrophobicContact CD2-CG2 3.58Å; Y561-V563 HydrophobicContact CE2-CG2 3.2Å; V563-D565 HydrophobicContact CG1-CB 4.3Å; V563-L574 WeakPolarHBondContact O-CA 3.43Å; V563-L574 WeakPolarHBondContact O-CD2 3.48Å; V563-A575 PolarHBondContact N-O 3.46Å; V563-A575 PolarHBondContact O-N 3.3Å; V563-R577 HydrophobicContact CB-CG 4.38Å; V563-R577 HydrophobicContact CG2-CB 4.07Å; V563-R577 HydrophobicContact CG2-CG 3.98Å |
| 564 | W | 89.8 | Confident | 84.3 | Confident | 3 Ų | 3 | 72.1 Ų | 72.1 | 1% | 0.011 | 38% | 0.379 | C | S | . | . | trans | -92.2 | 104.8 | 172.2 | -175.9 | -101.6 | 0 | 0 | 0 | 109.2 | E166 D174 Y178 T184 Y481 F571 P572 L574 | E166-W564 HydrophobicContact CG-CZ2 4.32Å; E166-W564 PolarHBondContact OE1-NE1 2.96Å; D174-W564 HydrophobicContact CB-CH2 3.94Å; D174-W564 HydrophobicContact CB-CZ3 4.46Å; Y178-W564 HydrophobicContact CD1-CB 3.9Å; Y178-W564 HydrophobicContact CD1-CD2 4.34Å; Y178-W564 HydrophobicContact CD1-CG 4.02Å; Y178-W564 AromaticContact CD2-CD2 3.52Å; Y178-W564 HydrophobicContact CD2-CD2 3.52Å; Y178-W564 AromaticContact CD2-CE2 3.9Å; Y178-W564 AromaticContact CD2-CE3 3.49Å; Y178-W564 HydrophobicContact CD2-CE3 3.49Å; Y178-W564 VanDerWaalsContact CD2-CE3 3.49Å; Y178-W564 HydrophobicContact CD2-CG 4.05Å; Y178-W564 HydrophobicContact CD2-CH2 4.19Å; Y178-W564 HydrophobicContact CD2-CZ2 4.22Å; Y178-W564 AromaticContact CD2-CZ3 3.84Å; Y178-W564 HydrophobicContact CD2-CZ3 3.84Å; Y178-W564 HydrophobicContact CE1-CB 4.3Å; Y178-W564 HydrophobicContact CE2-CD2 4.09Å; Y178-W564 AromaticContact CE2-CE3 3.59Å; Y178-W564 HydrophobicContact CE2-CE3 3.59Å; Y178-W564 AromaticContact CE2-CZ3 3.88Å; Y178-W564 HydrophobicContact CE2-CZ3 3.88Å; Y178-W564 HydrophobicContact CG-CB 4.09Å; Y178-W564 AromaticContact CG-CD2 3.68Å; Y178-W564 HydrophobicContact CG-CD2 3.68Å; Y178-W564 HydrophobicContact CG-CE3 4.07Å; Y178-W564 AromaticContact CG-CG 3.68Å; Y178-W564 HydrophobicContact CG-CG 3.68Å; T184-W564 HydrophobicContact CG2-CB 3.71Å; T184-W564 HydrophobicContact CG2-CG 4.05Å; Y481-W564 PolarHBondContact OH-N 3.21Å; W564-F571 HydrophobicContact CD2-CE2 4.49Å; W564-F571 AromaticContact CE2-CE2 3.88Å; W564-F571 AromaticContact CH2-CE2 3.62Å; W564-F571 HydrophobicContact CH2-CE2 3.62Å; W564-F571 AromaticContact CH2-CZ 3.87Å; W564-F571 HydrophobicContact CH2-CZ 3.87Å; W564-F571 AromaticContact CZ2-CE2 3.43Å; W564-F571 HydrophobicContact CZ2-CE2 3.43Å; W564-F571 VanDerWaalsContact CZ2-CE2 3.43Å; W564-F571 AromaticContact CZ2-CZ 3.71Å; W564-F571 HydrophobicContact CZ2-CZ 3.71Å; W564-F571 HydrophobicContact CZ3-CE2 4.22Å; W564-P572 WeakPolarHBondContact CZ3-O 3.35Å; W564-L574 HydrophobicContact CB-CD2 4.08Å; W564-L574 HydrophobicContact CE3-CD2 3.81Å | ||
| 565 | D | 89.2 | Confident | 84.8 | Confident | 25 Ų | 25 | 69.8 Ų | 69.8 | 13% | 0.134 | 37% | 0.371 | C | S | . | . | trans | -132.2 | 113.8 | -174.7 | -171.6 | -6.1 | 0 | 0 | 0 | 110.4 | V563 E567 A568 F571 R577 | V563-D565 HydrophobicContact CG1-CB 4.3Å; D565-E567 VanDerWaalsContact C-N 3.27Å; D565-E567 PolarHBondContact O-N 3.48Å; D565-E567 PolarHBondContact OD1-N 3.01Å; D565-E567 VanDerWaalsContact OD1-N 3.08Å; D565-A568 HydrophobicContact CB-CB 4.07Å; D565-A568 WeakPolarHBondContact O-CB 3.25Å; D565-A568 PolarHBondContact O-N 2.67Å; D565-F571 WeakPolarHBondContact O-CD2 3.47Å; D565-R577 IonicContact OD2-CZ 2.76Å; D565-R577 IonicContact OD2-NH2 3.57Å; D565-R577 PolarHBondContact OD2-NH2 2.96Å | ||
| 566 | Q | 86.9 | Confident | 85.4 | Confident | 70 Ų | 70 | 70.6 Ų | 70.6 | 33% | 0.327 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -27 | -178.2 | -176.6 | -176.1 | -18.8 | 0 | 0 | 112.5 | R169 A568 | R169-Q566 PolarHBondContact NH1-O 3Å; Q566-A568 VanDerWaalsContact C-N 3.34Å |
| 567 | E | 87.8 | Confident | 86 | Confident | 183 Ų | 183 | 69.5 Ų | 69.5 | 86% | 0.855 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -7.3 | -177.2 | -62.4 | -175.5 | 178.8 | 0 | 0 | 112.4 | D565 | D565-E567 VanDerWaalsContact C-N 3.27Å; D565-E567 PolarHBondContact O-N 3.48Å; D565-E567 PolarHBondContact OD1-N 3.01Å; D565-E567 VanDerWaalsContact OD1-N 3.08Å |
| 568 | A | 86 | Confident | 86.5 | Confident | 18 Ų | 18 | 70.6 Ų | 70.6 | 15% | 0.149 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -66.1 | 139.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D565 Q566 S570 F571 A575 | D565-A568 HydrophobicContact CB-CB 4.07Å; D565-A568 WeakPolarHBondContact O-CB 3.25Å; D565-A568 PolarHBondContact O-N 2.67Å; Q566-A568 VanDerWaalsContact C-N 3.34Å; A568-S570 PolarHBondContact O-N 2.03Å; A568-F571 WeakPolarHBondContact O-CB 3.24Å; A568-F571 PolarHBondContact O-N 3.17Å; A568-F571 VanDerWaalsContact O-N 3.14Å; A568-A575 HydrophobicContact CB-CB 4.21Å |
| 569 | E | 83.6 | Confident | 86.9 | Confident | 204 Ų | 204 | 65 Ų | 65 | 95% | 0.953 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -28.9 | 176.6 | -66.3 | -176.8 | 175.3 | 0 | 0 | 112.4 | F571 | E569-F571 VanDerWaalsContact C-N 3.35Š|
| 570 | S | 80.3 | Confident | 87.3 | Confident | 56 Ų | 56 | 64.9 Ų | 64.9 | 39% | 0.392 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -4.5 | -179.4 | 63.5 | 0 | 0 | 0 | 0 | 114.4 | A568 T573 | A568-S570 PolarHBondContact O-N 2.03Å; S570-T573 WeakPolarHBondContact CB-OG1 3.08Å; S570-T573 PolarHBondContact O-N 3.38Å; S570-T573 PolarHBondContact O-OG1 3.23Å |
| 571 | F | 84.6 | Confident | 87.3 | Confident | 14 Ų | 14 | 70.4 Ų | 70.4 | 6% | 0.061 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 128.8 | -177.5 | -176.5 | -81.9 | 0 | 0 | 0 | 111 | E166 R169 W564 D565 A568 E569 | E166-F571 HydrophobicContact CG-CZ 4.13Å; R169-F571 HydrophobicContact CB-CD1 3.91Å; R169-F571 HydrophobicContact CB-CE1 3.41Å; R169-F571 VanDerWaalsContact CB-CE1 3.41Å; W564-F571 HydrophobicContact CD2-CE2 4.49Å; W564-F571 AromaticContact CE2-CE2 3.88Å; W564-F571 AromaticContact CH2-CE2 3.62Å; W564-F571 HydrophobicContact CH2-CE2 3.62Å; W564-F571 AromaticContact CH2-CZ 3.87Å; W564-F571 HydrophobicContact CH2-CZ 3.87Å; W564-F571 AromaticContact CZ2-CE2 3.43Å; W564-F571 HydrophobicContact CZ2-CE2 3.43Å; W564-F571 VanDerWaalsContact CZ2-CE2 3.43Å; W564-F571 AromaticContact CZ2-CZ 3.71Å; W564-F571 HydrophobicContact CZ2-CZ 3.71Å; W564-F571 HydrophobicContact CZ3-CE2 4.22Å; D565-F571 WeakPolarHBondContact O-CD2 3.47Å; A568-F571 WeakPolarHBondContact O-CB 3.24Å; A568-F571 PolarHBondContact O-N 3.17Å; A568-F571 VanDerWaalsContact O-N 3.14Å; E569-F571 VanDerWaalsContact C-N 3.35Å |
| 572 | P | 81.3 | Confident | 87.5 | Confident | 60 Ų | 60 | 74.3 Ų | 74.3 | 39% | 0.39 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -95.6 | 7.3 | 25.2 | 36.9 | -38.3 | 0 | 0 | 0 | 116.9 | W564 | W564-P572 WeakPolarHBondContact CZ3-O 3.35Š|
| 573 | T | 83.8 | Confident | 87.6 | Confident | 91 Ų | 91 | 71 Ų | 71 | 56% | 0.558 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -74.9 | 146.1 | 176.4 | 65.5 | 0 | 0 | 0 | 0 | 111.1 | S570 A575 | S570-T573 WeakPolarHBondContact CB-OG1 3.08Å; S570-T573 PolarHBondContact O-N 3.38Å; S570-T573 PolarHBondContact O-OG1 3.23Å; T573-A575 PolarHBondContact O-N 3.47Å |
| 574 | L | 85.1 | Confident | 87.6 | Confident | 47 Ų | 47 | 76.9 Ų | 76.9 | 25% | 0.246 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 132.6 | 176.4 | -68.1 | 165.1 | 0 | 0 | 0 | 110.1 | Y178 L562 V563 W564 | Y178-L574 HydrophobicContact CE1-CD2 4.24Å; Y178-L574 HydrophobicContact CE2-CD2 4.46Å; L562-L574 HydrophobicContact CB-CB 3.96Å; L562-L574 HydrophobicContact CB-CD1 4.01Å; L562-L574 HydrophobicContact CB-CG 4.48Å; L562-L574 HydrophobicContact CD1-CD1 4.09Å; L562-L574 HydrophobicContact CD2-CB 4.14Å; L562-L574 HydrophobicContact CG-CB 4.47Å; V563-L574 WeakPolarHBondContact O-CA 3.43Å; V563-L574 WeakPolarHBondContact O-CD2 3.48Å; W564-L574 HydrophobicContact CB-CD2 4.08Å; W564-L574 HydrophobicContact CE3-CD2 3.81Å |
| 575 | A | 86.8 | Confident | 87.8 | Confident | 16 Ų | 16 | 79.6 Ų | 79.6 | 13% | 0.132 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 134.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | V563 A568 T573 | V563-A575 PolarHBondContact N-O 3.46Å; V563-A575 PolarHBondContact O-N 3.3Å; A568-A575 HydrophobicContact CB-CB 4.21Å; T573-A575 PolarHBondContact O-N 3.47Å |
| 576 | E | 87.7 | Confident | 87.9 | Confident | 142 Ų | 142 | 80.8 Ų | 80.8 | 66% | 0.664 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 130.5 | 171.9 | -73 | -176.7 | -161.2 | 0 | 0 | 110.8 | L562 | L562-E576 HydrophobicContact CD2-CG 3.6Å |
| 577 | R | 90.1 | Very high | 88.1 | Confident | 83 Ų | 83 | 78.5 Ų | 78.5 | 31% | 0.313 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 152.3 | 172.5 | -68.4 | -163.5 | -176.9 | -170.2 | -3.2 | 111.1 | T186 T560 Y561 V563 D565 | T186-R577 VanDerWaalsContact O-CZ 3.25Å; T186-R577 PolarHBondContact O-NH1 3.38Å; T560-R577 CarbonylContact C-O 3.6Å; T560-R577 VanDerWaalsContact CA-O 3.23Å; T560-R577 WeakPolarHBondContact CA-O 3.47Å; Y561-R577 HydrophobicContact CD1-CB 4.4Å; Y561-R577 WeakPolarHBondContact CD1-O 3.44Å; Y561-R577 HydrophobicContact CE1-CB 3.89Å; Y561-R577 PolarHBondContact N-O 2.9Å; Y561-R577 PolarHBondContact O-N 3.49Å; V563-R577 HydrophobicContact CB-CG 4.38Å; V563-R577 HydrophobicContact CG2-CB 4.07Å; V563-R577 HydrophobicContact CG2-CG 3.98Å; D565-R577 IonicContact OD2-CZ 2.76Å; D565-R577 IonicContact OD2-NH2 3.57Å; D565-R577 PolarHBondContact OD2-NH2 2.96Å |
| 578 | Y | 91.3 | Very high | 88.3 | Confident | 156 Ų | 156 | 75.5 Ų | 75.5 | 61% | 0.612 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 139.5 | 176.5 | -67.9 | -78 | 0 | 0 | 0 | 112 | E558 T560 Y561 | E558-Y578 HydrophobicContact CB-CE1 4.16Å; E558-Y578 VanDerWaalsContact OE2-CE1 3.26Å; E558-Y578 WeakPolarHBondContact OE2-CE1 3.26Å; E558-Y578 PolarHBondContact OE2-OH 3.12Å; T560-Y578 HydrophobicContact CG2-CD1 3.82Å; T560-Y578 HydrophobicContact CG2-CE1 3.83Å; Y561-Y578 WeakPolarHBondContact CE1-O 3.48Å |
| 579 | Y | 90.3 | Very high | 88.6 | Confident | 23 Ų | 23 | 78.9 Ų | 78.9 | 9% | 0.09 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 139.7 | 172.9 | -82.7 | -73 | 0 | 0 | 0 | 111.8 | I188 L485 L559 T560 Y561 I583 | I188-Y579 HydrophobicContact CD1-CD1 4.5Å; I188-Y579 HydrophobicContact CD1-CE1 4.08Å; L485-Y579 HydrophobicContact CD1-CE1 4.13Å; L559-Y579 HydrophobicContact CB-CD2 3.86Å; L559-Y579 PolarHBondContact O-N 3.29Å; L559-Y579 VanDerWaalsContact O-N 3.16Å; T560-Y579 WeakPolarHBondContact O-CE2 3.4Å; Y561-Y579 VanDerWaalsContact CB-CZ 3.49Å; Y561-Y579 WeakPolarHBondContact CB-OH 3.48Å; Y561-Y579 AromaticContact CD1-CD1 3.76Å; Y561-Y579 HydrophobicContact CD1-CD1 3.76Å; Y561-Y579 AromaticContact CD1-CD2 4Å; Y561-Y579 HydrophobicContact CD1-CD2 4Å; Y561-Y579 AromaticContact CD1-CE1 3.84Å; Y561-Y579 HydrophobicContact CD1-CE1 3.84Å; Y561-Y579 HydrophobicContact CD1-CE2 4.08Å; Y561-Y579 AromaticContact CD1-CG 3.87Å; Y561-Y579 HydrophobicContact CD1-CG 3.87Å; Y561-Y579 HydrophobicContact CE1-CD1 4.14Å; Y561-Y579 HydrophobicContact CE1-CE1 4.47Å; Y561-Y579 HydrophobicContact CE1-CG 4.41Å; Y561-Y579 HydrophobicContact CG-CD1 4.36Å; Y561-Y579 AromaticContact CG-CE1 3.96Å; Y561-Y579 HydrophobicContact CG-CE1 3.96Å; Y561-Y579 HydrophobicContact CG-CE2 4.21Å; Y561-Y579 AromaticContact CG-CZ 3.9Å; Y579-I583 HydrophobicContact CD1-CB 4.34Å; Y579-I583 HydrophobicContact CD1-CD1 4.12Å; Y579-I583 HydrophobicContact CD1-CG1 3.87Å; Y579-I583 HydrophobicContact CD1-CG2 3.93Å; Y579-I583 HydrophobicContact CE1-CG2 4.49Å; Y579-I583 HydrophobicContact CG-CG1 4.49Å; Y579-I583 HydrophobicContact CG-CG2 4.14Å |
| 580 | P | 92 | Very high | 89 | Confident | 24 Ų | 24 | 69.3 Ų | 69.3 | 16% | 0.156 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 151.4 | 170.3 | -25.5 | 34.1 | 0 | 0 | 0 | 113.2 | I188 D189 W582 I583 | I188-P580 HydrophobicContact CG2-CG 3.85Å; D189-P580 WeakPolarHBondContact OD2-CG 3.22Å; P580-W582 VanDerWaalsContact CB-CD1 3.5Å; P580-W582 HydrophobicContact CB-CG 4.28Å; P580-W582 VanDerWaalsContact CB-NE1 3.26Å; P580-W582 PolarHBondContact O-N 3.33Å; P580-W582 VanDerWaalsContact O-N 3.14Å; P580-I583 HydrophobicContact CB-CG1 4.41Å; P580-I583 VanDerWaalsContact O-CB 3.25Å; P580-I583 WeakPolarHBondContact O-CB 3.47Å; P580-I583 WeakPolarHBondContact O-CG1 3.07Å; P580-I583 PolarHBondContact O-N 3.08Å |
| 581 | Q | 90.1 | Very high | 89.5 | Confident | 175 Ų | 175 | 66.9 Ų | 66.9 | 82% | 0.818 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -27.2 | -176.8 | -66.7 | -178.4 | -9.5 | 0 | 0 | 114.3 | I583 Y584 | Q581-I583 PolarHBondContact O-N 3.37Å; Q581-Y584 WeakPolarHBondContact O-CD2 3.03Å; Q581-Y584 PolarHBondContact O-N 3.35Å |
| 582 | W | 92.3 | Very high | 89.7 | Confident | 101 Ų | 101 | 66.9 Ų | 66.9 | 38% | 0.383 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -19.1 | 178.3 | 63.7 | -101.8 | 0 | 0 | 0 | 112.6 | I188 D189 W482 P580 Y584 A585 M586 | I188-W582 HydrophobicContact CG2-CZ2 4.39Å; D189-W582 VanDerWaalsContact OD1-CE2 3.29Å; D189-W582 VanDerWaalsContact OD1-CZ2 3.23Å; D189-W582 WeakPolarHBondContact OD1-CZ2 3.4Å; D189-W582 PolarHBondContact OD1-NE1 2.81Å; W482-W582 AromaticContact CH2-CH2 3.49Å; W482-W582 HydrophobicContact CH2-CH2 3.49Å; W482-W582 VanDerWaalsContact CH2-CH2 3.49Å; W482-W582 AromaticContact CH2-CZ3 3.41Å; W482-W582 HydrophobicContact CH2-CZ3 3.41Å; W482-W582 VanDerWaalsContact CH2-CZ3 3.41Å; W482-W582 AromaticContact CZ2-CH2 3.51Å; W482-W582 HydrophobicContact CZ2-CH2 3.51Å; W482-W582 AromaticContact CZ2-CZ3 3.93Å; W482-W582 HydrophobicContact CZ2-CZ3 3.93Å; W482-W582 HydrophobicContact CZ3-CH2 4.4Å; W482-W582 HydrophobicContact CZ3-CZ3 4.21Å; P580-W582 VanDerWaalsContact CB-CD1 3.5Å; P580-W582 HydrophobicContact CB-CG 4.28Å; P580-W582 VanDerWaalsContact CB-NE1 3.26Å; P580-W582 PolarHBondContact O-N 3.33Å; P580-W582 VanDerWaalsContact O-N 3.14Å; W582-Y584 VanDerWaalsContact C-N 3.27Å; W582-Y584 PolarHBondContact O-N 2.7Å; W582-A585 WeakPolarHBondContact O-CB 3.16Å; W582-A585 PolarHBondContact O-N 3.22Å; W582-A585 VanDerWaalsContact O-N 3.14Å; W582-M586 HydrophobicContact CE3-CG 4Å; W582-M586 HydrophobicContact CZ3-CG 3.81Å |
| 583 | I | 91.7 | Very high | 90.3 | Very high | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.7 | -32.3 | 177.6 | -67.4 | -78.7 | 0 | 0 | 0 | 111.5 | I188 L485 Y579 P580 Q581 A585 M586 I587 | I188-I583 HydrophobicContact CD1-CD1 3.76Å; L485-I583 HydrophobicContact CD1-CG2 3.68Å; L485-I583 HydrophobicContact CD2-CD1 3.95Å; L485-I583 HydrophobicContact CD2-CG2 4.07Å; Y579-I583 HydrophobicContact CD1-CB 4.34Å; Y579-I583 HydrophobicContact CD1-CD1 4.12Å; Y579-I583 HydrophobicContact CD1-CG1 3.87Å; Y579-I583 HydrophobicContact CD1-CG2 3.93Å; Y579-I583 HydrophobicContact CE1-CG2 4.49Å; Y579-I583 HydrophobicContact CG-CG1 4.49Å; Y579-I583 HydrophobicContact CG-CG2 4.14Å; P580-I583 HydrophobicContact CB-CG1 4.41Å; P580-I583 VanDerWaalsContact O-CB 3.25Å; P580-I583 WeakPolarHBondContact O-CB 3.47Å; P580-I583 WeakPolarHBondContact O-CG1 3.07Å; P580-I583 PolarHBondContact O-N 3.08Å; Q581-I583 PolarHBondContact O-N 3.37Å; I583-A585 PolarHBondContact O-N 3.43Å; I583-M586 CarbonylContact O-C 3.55Å; I583-M586 WeakPolarHBondContact O-CA 3.5Å; I583-M586 WeakPolarHBondContact O-CB 3.49Å; I583-M586 PolarHBondContact O-N 2.63Å; I583-I587 HydrophobicContact CG2-CD1 3.85Å; I583-I587 HydrophobicContact CG2-CG1 4.07Å; I583-I587 WeakPolarHBondContact O-CG1 3.34Å; I583-I587 PolarHBondContact O-N 2.73Å |
| 584 | Y | 90.1 | Very high | 90.8 | Very high | 123 Ų | 123 | 62.9 Ų | 62.9 | 48% | 0.482 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.2 | -34.3 | 176 | -68.2 | -73.4 | 0 | 0 | 0 | 112.3 | L559 Q581 W582 I587 F588 | L559-Y584 HydrophobicContact CD1-CD1 4.22Å; L559-Y584 HydrophobicContact CD1-CE1 3.56Å; L559-Y584 HydrophobicContact CG-CE1 4.43Å; Q581-Y584 WeakPolarHBondContact O-CD2 3.03Å; Q581-Y584 PolarHBondContact O-N 3.35Å; W582-Y584 VanDerWaalsContact C-N 3.27Å; W582-Y584 PolarHBondContact O-N 2.7Å; Y584-I587 PolarHBondContact O-N 3.49Å; Y584-F588 PolarHBondContact O-N 3.06Å |
| 585 | A | 92.6 | Very high | 91.2 | Very high | 59 Ų | 59 | 61.5 Ų | 61.5 | 49% | 0.488 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.6 | -38.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | W582 I583 F588 I589 | W582-A585 WeakPolarHBondContact O-CB 3.16Å; W582-A585 PolarHBondContact O-N 3.22Å; W582-A585 VanDerWaalsContact O-N 3.14Å; I583-A585 PolarHBondContact O-N 3.43Å; A585-F588 PolarHBondContact O-N 3.24Å; A585-I589 WeakPolarHBondContact O-CG1 3.3Å; A585-I589 PolarHBondContact O-N 2.94Å |
| 586 | M | 92.3 | Very high | 91.5 | Very high | 50 Ų | 50 | 64 Ų | 64 | 25% | 0.246 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.2 | -42.3 | 174.9 | -65.3 | -56.9 | -71.3 | 0 | 0 | 112.2 | W482 L485 W582 I583 F588 I589 L590 | W482-M586 HydrophobicContact CH2-CE 4.1Å; W482-M586 HydrophobicContact CH2-CG 4.31Å; W482-M586 HydrophobicContact CZ3-CE 3.81Å; W482-M586 HydrophobicContact CZ3-CG 4.23Å; L485-M586 HydrophobicContact CD2-CB 4.48Å; W582-M586 HydrophobicContact CE3-CG 4Å; W582-M586 HydrophobicContact CZ3-CG 3.81Å; I583-M586 CarbonylContact O-C 3.55Å; I583-M586 WeakPolarHBondContact O-CA 3.5Å; I583-M586 WeakPolarHBondContact O-CB 3.49Å; I583-M586 PolarHBondContact O-N 2.63Å; M586-F588 VanDerWaalsContact C-N 3.28Å; M586-F588 PolarHBondContact O-N 2.87Å; M586-I589 WeakPolarHBondContact O-CB 3.32Å; M586-I589 PolarHBondContact O-N 3.48Å; M586-I589 HydrophobicContact SD-CD1 4.09Å; M586-L590 VanDerWaalsContact O-CG 3.32Å; M586-L590 WeakPolarHBondContact O-CG 3.48Å; M586-L590 PolarHBondContact O-N 3.42Å |
| 587 | I | 90.8 | Very high | 91.8 | Very high | 22 Ų | 22 | 57.9 Ų | 57.9 | 11% | 0.113 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.6 | -42.7 | 174.3 | -66.8 | 169.9 | 0 | 0 | 0 | 110.3 | L485 F489 L559 I583 Y584 I589 L590 A591 | L485-I587 HydrophobicContact CD1-CD1 4.26Å; L485-I587 HydrophobicContact CD1-CG1 4Å; F489-I587 HydrophobicContact CB-CG2 4.49Å; F489-I587 HydrophobicContact CD1-CG2 3.76Å; F489-I587 HydrophobicContact CD2-CD1 4.17Å; F489-I587 HydrophobicContact CD2-CG1 3.95Å; F489-I587 HydrophobicContact CE1-CD1 4.25Å; F489-I587 HydrophobicContact CE1-CG2 4.1Å; F489-I587 HydrophobicContact CE2-CD1 3.76Å; F489-I587 HydrophobicContact CE2-CG1 4.07Å; F489-I587 HydrophobicContact CG-CG1 4.19Å; F489-I587 HydrophobicContact CG-CG2 4.04Å; F489-I587 HydrophobicContact CZ-CD1 3.8Å; F489-I587 HydrophobicContact CZ-CG1 4.41Å; L559-I587 HydrophobicContact CD1-CD1 3.55Å; I583-I587 HydrophobicContact CG2-CD1 3.85Å; I583-I587 HydrophobicContact CG2-CG1 4.07Å; I583-I587 WeakPolarHBondContact O-CG1 3.34Å; I583-I587 PolarHBondContact O-N 2.73Å; Y584-I587 PolarHBondContact O-N 3.49Å; I587-I589 VanDerWaalsContact C-N 3.31Å; I587-I589 PolarHBondContact O-N 3.39Å; I587-L590 PolarHBondContact O-N 2.96Å; I587-A591 PolarHBondContact O-N 3.29Å |
| 588 | F | 91.1 | Very high | 92 | Very high | 121 Ų | 121 | 54.3 Ų | 54.3 | 53% | 0.531 | 27% | 0.268 | S | S | . | . | I | π-helix | trans | -62.7 | -36.8 | 175.5 | -177 | -97.6 | 0 | 0 | 0 | 112.6 | Y584 A585 M586 G592 V593 L596 | Y584-F588 PolarHBondContact O-N 3.06Å; A585-F588 PolarHBondContact O-N 3.24Å; M586-F588 VanDerWaalsContact C-N 3.28Å; M586-F588 PolarHBondContact O-N 2.87Å; F588-G592 CarbonylContact O-C 3.46Å; F588-G592 WeakPolarHBondContact O-CA 3.36Å; F588-G592 PolarHBondContact O-N 3.4Å; F588-V593 PolarHBondContact O-N 2.86Å; F588-L596 HydrophobicContact CE2-CD1 3.87Å; F588-L596 HydrophobicContact CZ-CD1 3.56Å |
| 589 | I | 92.5 | Very high | 92.1 | Very high | 89 Ų | 89 | 49.5 Ų | 49.5 | 46% | 0.456 | 26% | 0.256 | S | S | . | . | I | π-helix | trans | -66.3 | -45.1 | 174.1 | -68.2 | 165.4 | 0 | 0 | 0 | 110.9 | A585 M586 I587 V593 | A585-I589 WeakPolarHBondContact O-CG1 3.3Å; A585-I589 PolarHBondContact O-N 2.94Å; M586-I589 WeakPolarHBondContact O-CB 3.32Å; M586-I589 PolarHBondContact O-N 3.48Å; M586-I589 HydrophobicContact SD-CD1 4.09Å; I587-I589 VanDerWaalsContact C-N 3.31Å; I587-I589 PolarHBondContact O-N 3.39Å; I589-V593 WeakPolarHBondContact O-CB 3.43Å |
| 590 | L | 92.1 | Very high | 92.2 | Very high | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | I | π-helix | trans | -72.1 | -44.7 | -175 | -66.6 | 173.2 | 0 | 0 | 0 | 112.9 | L125 L485 F486 M586 I587 P594 | L125-L590 HydrophobicContact CD1-CD2 4.33Å; L125-L590 HydrophobicContact CD2-CD2 4.05Å; L485-L590 HydrophobicContact CG-CD1 4.5Å; F486-L590 HydrophobicContact CD1-CD2 3.86Å; F486-L590 HydrophobicContact CD2-CD1 3.71Å; F486-L590 HydrophobicContact CD2-CD2 4.3Å; F486-L590 HydrophobicContact CE1-CD2 3.48Å; F486-L590 VanDerWaalsContact CE1-CD2 3.48Å; F486-L590 HydrophobicContact CE2-CD1 3.82Å; F486-L590 HydrophobicContact CE2-CD2 3.98Å; F486-L590 HydrophobicContact CE2-CG 4.49Å; F486-L590 HydrophobicContact CG-CD1 4.12Å; F486-L590 HydrophobicContact CG-CD2 4.27Å; F486-L590 HydrophobicContact CZ-CD1 4.3Å; F486-L590 HydrophobicContact CZ-CD2 3.57Å; M586-L590 VanDerWaalsContact O-CG 3.32Å; M586-L590 WeakPolarHBondContact O-CG 3.48Å; M586-L590 PolarHBondContact O-N 3.42Å; I587-L590 PolarHBondContact O-N 2.96Å; L590-P594 WeakPolarHBondContact O-CD 3.28Å; L590-P594 WeakPolarHBondContact O-CG 3.48Å |
| 591 | A | 90.2 | Very high | 92.2 | Very high | 4 Ų | 4 | 54.5 Ų | 54.5 | 3% | 0.033 | 28% | 0.279 | C | S | . | . | I | π-helix | trans | -105.4 | -35.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I493 P494 I587 S595 | I493-A591 HydrophobicContact CB-CB 4.26Å; I493-A591 HydrophobicContact CD1-CB 3.97Å; I493-A591 HydrophobicContact CG1-CB 4.46Å; P494-A591 HydrophobicContact CG-CB 4.36Å; I587-A591 PolarHBondContact O-N 3.29Å; A591-S595 WeakPolarHBondContact O-CB 3.37Å; A591-S595 PolarHBondContact O-N 3.22Å; A591-S595 PolarHBondContact O-OG 3.41Å |
| 592 | G | 90.8 | Very high | 92.3 | Very high | 14 Ų | 14 | 47.4 Ų | 47.4 | 14% | 0.144 | 25% | 0.25 | C | S | . | . | I | π-helix | trans | -74.1 | -47.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F588 S595 L596 | F588-G592 CarbonylContact O-C 3.46Å; F588-G592 WeakPolarHBondContact O-CA 3.36Å; F588-G592 PolarHBondContact O-N 3.4Å; G592-S595 PolarHBondContact O-N 2.86Å; G592-L596 VanDerWaalsContact O-CB 3.28Å; G592-L596 WeakPolarHBondContact O-CB 3.31Å; G592-L596 VanDerWaalsContact O-CG 3.26Å; G592-L596 WeakPolarHBondContact O-CG 3.22Å; G592-L596 PolarHBondContact O-N 2.9Å |
| 593 | V | 93.4 | Very high | 92.2 | Very high | 67 Ų | 67 | 47.5 Ų | 47.5 | 41% | 0.406 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.2 | -48.2 | -177.9 | 173.5 | 0 | 0 | 0 | 0 | 112.5 | L121 F588 I589 S595 L596 A597 | L121-V593 HydrophobicContact CD1-CG1 4.45Å; F588-V593 PolarHBondContact O-N 2.86Å; I589-V593 WeakPolarHBondContact O-CB 3.43Å; V593-S595 VanDerWaalsContact C-N 3.34Å; V593-S595 PolarHBondContact O-N 3.37Å; V593-L596 PolarHBondContact O-N 3.34Å; V593-A597 PolarHBondContact O-N 3.05Å |
| 594 | P | 93.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 175.7 | -24.7 | 35.9 | 0 | 0 | 0 | 112.6 | A118 L121 V122 L125 P494 L590 L596 A597 | A118-P594 WeakPolarHBondContact CB-O 3.49Å; L121-P594 HydrophobicContact CB-CB 4.35Å; L121-P594 HydrophobicContact CB-CG 4.27Å; V122-P594 HydrophobicContact CG2-CB 3.78Å; V122-P594 HydrophobicContact CG2-CG 4.33Å; L125-P594 HydrophobicContact CD1-CG 4.11Å; P494-P594 HydrophobicContact CB-CB 4.02Å; P494-P594 HydrophobicContact CG-CB 4.2Å; P494-P594 HydrophobicContact CG-CG 4.42Å; L590-P594 WeakPolarHBondContact O-CD 3.28Å; L590-P594 WeakPolarHBondContact O-CG 3.48Å; P594-L596 PolarHBondContact O-N 2.72Å; P594-A597 WeakPolarHBondContact O-CB 3.13Å; P594-A597 PolarHBondContact O-N 2.81Å |
| 595 | S | 92.8 | Very high | 92.2 | Very high | 17 Ų | 17 | 50.1 Ų | 50.1 | 12% | 0.119 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.4 | -39.7 | -179.8 | -57 | 0 | 0 | 0 | 0 | 112.4 | A591 G592 V593 P599 | A591-S595 WeakPolarHBondContact O-CB 3.37Å; A591-S595 PolarHBondContact O-N 3.22Å; A591-S595 PolarHBondContact O-OG 3.41Å; G592-S595 PolarHBondContact O-N 2.86Å; V593-S595 VanDerWaalsContact C-N 3.34Å; V593-S595 PolarHBondContact O-N 3.37Å; S595-P599 WeakPolarHBondContact O-CD 3.39Å |
| 596 | L | 93.7 | Very high | 92 | Very high | 69 Ų | 69 | 50.9 Ų | 50.9 | 36% | 0.361 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -78.6 | -17 | 179.7 | -69 | 174.5 | 0 | 0 | 0 | 113.2 | F588 G592 V593 P594 I598 P599 I600 | F588-L596 HydrophobicContact CE2-CD1 3.87Å; F588-L596 HydrophobicContact CZ-CD1 3.56Å; G592-L596 VanDerWaalsContact O-CB 3.28Å; G592-L596 WeakPolarHBondContact O-CB 3.31Å; G592-L596 VanDerWaalsContact O-CG 3.26Å; G592-L596 WeakPolarHBondContact O-CG 3.22Å; G592-L596 PolarHBondContact O-N 2.9Å; V593-L596 PolarHBondContact O-N 3.34Å; P594-L596 PolarHBondContact O-N 2.72Å; L596-I598 PolarHBondContact O-N 3.35Å; L596-P599 HydrophobicContact CD2-CG 4.29Å; L596-P599 WeakPolarHBondContact O-CD 3.43Å; L596-P599 VanDerWaalsContact O-CG 3.31Å; L596-P599 WeakPolarHBondContact O-CG 3.22Å; L596-I600 HydrophobicContact CB-CD1 3.82Å; L596-I600 HydrophobicContact CB-CG1 4.43Å; L596-I600 VanDerWaalsContact O-CB 3.24Å; L596-I600 WeakPolarHBondContact O-CB 3.37Å; L596-I600 WeakPolarHBondContact O-CD1 3.42Å; L596-I600 WeakPolarHBondContact O-CG1 3.44Å; L596-I600 PolarHBondContact O-N 2.93Å |
| 597 | A | 93.5 | Very high | 91.8 | Very high | 14 Ų | 14 | 52.8 Ų | 52.8 | 12% | 0.116 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56.3 | -33.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I117 A118 L121 V593 P594 F601 | I117-A597 HydrophobicContact CG2-CB 4.48Å; A118-A597 HydrophobicContact CB-CB 4.4Å; L121-A597 HydrophobicContact CD1-CB 4.47Å; V593-A597 PolarHBondContact O-N 3.05Å; P594-A597 WeakPolarHBondContact O-CB 3.13Å; P594-A597 PolarHBondContact O-N 2.81Å; A597-F601 WeakPolarHBondContact O-CB 3.4Å; A597-F601 PolarHBondContact O-N 3.38Å |
| 598 | I | 94.3 | Very high | 91.7 | Very high | 8 Ų | 8 | 55.3 Ų | 55.3 | 4% | 0.041 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.2 | -62 | 178.3 | -55 | 175.7 | 0 | 0 | 0 | 111.3 | V115 A118 V497 I498 F501 L596 A602 | V115-I598 HydrophobicContact CG2-CD1 4.36Å; V115-I598 HydrophobicContact CG2-CG1 4.41Å; V115-I598 HydrophobicContact CG2-CG2 4.09Å; A118-I598 HydrophobicContact CB-CD1 4.35Å; A118-I598 HydrophobicContact CB-CG1 3.99Å; V497-I598 HydrophobicContact CG1-CD1 4.14Å; I498-I598 HydrophobicContact CG1-CD1 4.24Å; F501-I598 HydrophobicContact CB-CD1 4.18Å; F501-I598 HydrophobicContact CD1-CG2 4.25Å; F501-I598 HydrophobicContact CD2-CD1 3.49Å; F501-I598 VanDerWaalsContact CD2-CD1 3.49Å; F501-I598 HydrophobicContact CD2-CG2 4.06Å; F501-I598 HydrophobicContact CE1-CG2 4.42Å; F501-I598 HydrophobicContact CE2-CD1 4.18Å; F501-I598 HydrophobicContact CE2-CG2 4.24Å; F501-I598 HydrophobicContact CG-CD1 4.06Å; F501-I598 HydrophobicContact CG-CG2 4.08Å; F501-I598 HydrophobicContact CZ-CG2 4.43Å; L596-I598 PolarHBondContact O-N 3.35Å; I598-A602 PolarHBondContact O-N 2.86Å |
| 599 | P | 94.2 | Very high | 91.3 | Very high | 55 Ų | 55 | 55.6 Ų | 55.6 | 36% | 0.357 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.4 | -36.7 | 178.9 | 25.6 | -35.1 | 0 | 0 | 0 | 113.2 | S595 L596 F601 A602 L603 | S595-P599 WeakPolarHBondContact O-CD 3.39Å; L596-P599 HydrophobicContact CD2-CG 4.29Å; L596-P599 WeakPolarHBondContact O-CD 3.43Å; L596-P599 VanDerWaalsContact O-CG 3.31Å; L596-P599 WeakPolarHBondContact O-CG 3.22Å; P599-F601 PolarHBondContact O-N 3.17Å; P599-A602 PolarHBondContact O-N 3.4Å; P599-L603 WeakPolarHBondContact O-CB 3.48Å; P599-L603 WeakPolarHBondContact O-CG 3.36Å; P599-L603 PolarHBondContact O-N 2.71Å |
| 600 | I | 92.9 | Very high | 90.7 | Very high | 103 Ų | 103 | 59.1 Ų | 59.1 | 53% | 0.528 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.6 | -45.9 | 179.7 | -70.1 | 169.9 | 0 | 0 | 0 | 110.4 | L596 A602 L603 Y604 | L596-I600 HydrophobicContact CB-CD1 3.82Å; L596-I600 HydrophobicContact CB-CG1 4.43Å; L596-I600 VanDerWaalsContact O-CB 3.24Å; L596-I600 WeakPolarHBondContact O-CB 3.37Å; L596-I600 WeakPolarHBondContact O-CD1 3.42Å; L596-I600 WeakPolarHBondContact O-CG1 3.44Å; L596-I600 PolarHBondContact O-N 2.93Å; I600-A602 VanDerWaalsContact C-N 3.35Å; I600-A602 PolarHBondContact O-N 3.25Å; I600-L603 PolarHBondContact O-N 3.5Å; I600-Y604 WeakPolarHBondContact O-CB 3.2Å; I600-Y604 PolarHBondContact O-N 3.34Å |
| 601 | F | 91.6 | Very high | 89.9 | Confident | 49 Ų | 49 | 65.2 Ų | 65.2 | 22% | 0.215 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.6 | -37.5 | 179.5 | -163.3 | -87.2 | 0 | 0 | 0 | 112 | A113 I117 A597 P599 Y604 K605 | A113-F601 HydrophobicContact CB-CD1 4Å; A113-F601 HydrophobicContact CB-CE1 3.55Å; A113-F601 HydrophobicContact CB-CZ 4.11Å; I117-F601 HydrophobicContact CD1-CD2 3.68Å; I117-F601 HydrophobicContact CD1-CE2 3.76Å; I117-F601 HydrophobicContact CD1-CG 4.31Å; I117-F601 HydrophobicContact CD1-CZ 4.45Å; A597-F601 WeakPolarHBondContact O-CB 3.4Å; A597-F601 PolarHBondContact O-N 3.38Å; P599-F601 PolarHBondContact O-N 3.17Å; F601-Y604 HydrophobicContact CE2-CD1 4.42Å; F601-Y604 PolarHBondContact O-N 3.11Å; F601-K605 HydrophobicContact CD1-CG 3.98Å; F601-K605 HydrophobicContact CE1-CD 4.29Å; F601-K605 HydrophobicContact CE1-CG 3.57Å; F601-K605 HydrophobicContact CZ-CG 4.27Å; F601-K605 PolarHBondContact O-N 3.21Å |
| 602 | A | 91.1 | Very high | 88.6 | Confident | 25 Ų | 25 | 68.5 Ų | 68.5 | 21% | 0.207 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I598 P599 I600 K605 L606 | I598-A602 PolarHBondContact O-N 2.86Å; P599-A602 PolarHBondContact O-N 3.4Å; I600-A602 VanDerWaalsContact C-N 3.35Å; I600-A602 PolarHBondContact O-N 3.25Å; A602-K605 PolarHBondContact O-N 3.08Å; A602-L606 VanDerWaalsContact O-CG 3.31Å; A602-L606 WeakPolarHBondContact O-CG 3.1Å; A602-L606 PolarHBondContact O-N 3.25Å |
| 603 | L | 91.8 | Very high | 87.1 | Confident | 103 Ų | 103 | 74.5 Ų | 74.5 | 54% | 0.539 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 175.5 | -71.8 | 172.7 | 0 | 0 | 0 | 111.9 | P599 I600 K605 L606 I607 | P599-L603 WeakPolarHBondContact O-CB 3.48Å; P599-L603 WeakPolarHBondContact O-CG 3.36Å; P599-L603 PolarHBondContact O-N 2.71Å; I600-L603 PolarHBondContact O-N 3.5Å; L603-K605 VanDerWaalsContact C-N 3.3Å; L603-K605 PolarHBondContact O-N 2.86Å; L603-L606 WeakPolarHBondContact O-CB 3.19Å; L603-L606 PolarHBondContact O-N 2.84Å; L603-L606 VanDerWaalsContact O-N 3.11Å; L603-I607 WeakPolarHBondContact O-CB 3.26Å; L603-I607 VanDerWaalsContact O-CG1 3.25Å; L603-I607 WeakPolarHBondContact O-CG1 3.4Å; L603-I607 PolarHBondContact O-N 3.09Å |
| 604 | Y | 91.3 | Very high | 84.7 | Confident | 127 Ų | 127 | 77.8 Ų | 77.8 | 50% | 0.498 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -54.6 | -46.9 | 176.1 | 169.8 | -109.4 | 0 | 0 | 0 | 111.4 | I600 F601 I607 Q608 | I600-Y604 WeakPolarHBondContact O-CB 3.2Å; I600-Y604 PolarHBondContact O-N 3.34Å; F601-Y604 HydrophobicContact CE2-CD1 4.42Å; F601-Y604 PolarHBondContact O-N 3.11Å; Y604-I607 PolarHBondContact O-N 2.95Å; Y604-Q608 WeakPolarHBondContact O-CB 3.27Å; Y604-Q608 PolarHBondContact O-N 3.34Å |
| 605 | K | 88.5 | Confident | 82.2 | Confident | 53 Ų | 53 | 83.2 Ų | 83.2 | 23% | 0.23 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -67.5 | -36.1 | 177.1 | -77.5 | -68.6 | 175.3 | -163.8 | 0 | 113.2 | Y111 F601 A602 L603 R609 | Y111-K605 HydrophobicContact CD1-CB 3.54Å; Y111-K605 HydrophobicContact CE1-CB 3.76Å; F601-K605 HydrophobicContact CD1-CG 3.98Å; F601-K605 HydrophobicContact CE1-CD 4.29Å; F601-K605 HydrophobicContact CE1-CG 3.57Å; F601-K605 HydrophobicContact CZ-CG 4.27Å; F601-K605 PolarHBondContact O-N 3.21Å; A602-K605 PolarHBondContact O-N 3.08Å; L603-K605 VanDerWaalsContact C-N 3.3Å; L603-K605 PolarHBondContact O-N 2.86Å; K605-R609 WeakPolarHBondContact O-CB 3.26Å; K605-R609 PolarHBondContact O-N 3.29Å |
| 606 | L | 88.7 | Confident | 79.7 | Confident | 75 Ų | 75 | 91.4 Ų | 91.4 | 39% | 0.393 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.2 | -43.8 | 175.8 | -77.7 | 168.2 | 0 | 0 | 0 | 111 | Y111 A602 L603 R609 K610 | Y111-L606 HydrophobicContact CD1-CD2 4.21Å; Y111-L606 HydrophobicContact CD1-CG 3.91Å; Y111-L606 HydrophobicContact CE1-CB 4.21Å; Y111-L606 HydrophobicContact CE1-CD2 3.47Å; Y111-L606 VanDerWaalsContact CE1-CD2 3.47Å; Y111-L606 HydrophobicContact CE1-CG 3.5Å; Y111-L606 VanDerWaalsContact CE1-CG 3.5Å; Y111-L606 HydrophobicContact CE2-CD2 4.4Å; Y111-L606 WeakPolarHBondContact OH-CD2 3.4Å; A602-L606 VanDerWaalsContact O-CG 3.31Å; A602-L606 WeakPolarHBondContact O-CG 3.1Å; A602-L606 PolarHBondContact O-N 3.25Å; L603-L606 WeakPolarHBondContact O-CB 3.19Å; L603-L606 PolarHBondContact O-N 2.84Å; L603-L606 VanDerWaalsContact O-N 3.11Å; L606-R609 PolarHBondContact O-N 2.93Å; L606-K610 WeakPolarHBondContact O-CG 3.14Å; L606-K610 PolarHBondContact O-N 3.19Å |
| 607 | I | 89.2 | Confident | 77 | Confident | 90 Ų | 90 | 92.4 Ų | 92.4 | 46% | 0.462 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.1 | -51.1 | 176.9 | -68.8 | 168.5 | 0 | 0 | 0 | 109.8 | L603 Y604 R609 K610 F611 | L603-I607 WeakPolarHBondContact O-CB 3.26Å; L603-I607 VanDerWaalsContact O-CG1 3.25Å; L603-I607 WeakPolarHBondContact O-CG1 3.4Å; L603-I607 PolarHBondContact O-N 3.09Å; Y604-I607 PolarHBondContact O-N 2.95Å; I607-R609 VanDerWaalsContact C-N 3.28Å; I607-R609 PolarHBondContact O-N 3.37Å; I607-K610 PolarHBondContact O-N 2.98Å; I607-F611 HydrophobicContact CG2-CD2 3.51Å; I607-F611 HydrophobicContact CG2-CE2 3.52Å; I607-F611 WeakPolarHBondContact O-CD2 3.41Å; I607-F611 PolarHBondContact O-N 2.96Å |
| 608 | Q | 87.6 | Confident | 74.4 | Confident | 74 Ų | 74 | 98.3 Ų | 98.3 | 35% | 0.346 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -54.1 | -44.4 | 177.4 | -172.6 | 178.6 | 26.6 | 0 | 0 | 111.6 | Y604 F611 C612 | Y604-Q608 WeakPolarHBondContact O-CB 3.27Å; Y604-Q608 PolarHBondContact O-N 3.34Å; Q608-F611 PolarHBondContact O-N 3.08Å; Q608-C612 WeakPolarHBondContact O-CB 3.49Å; Q608-C612 PolarHBondContact O-N 3.22Å; Q608-C612 PolarHBondContact O-SG 2.8Å; Q608-C612 VanDerWaalsContact O-SG 3.41Å |
| 609 | R | 82.8 | Confident | 71.6 | Confident | 128 Ų | 128 | 100.6 Ų | 100.6 | 48% | 0.483 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.7 | -37 | 178.2 | -170 | 179 | -178.6 | -174.3 | -1.6 | 112.8 | Y111 K605 L606 I607 K613 | Y111-R609 VanDerWaalsContact OH-CD 3.25Å; Y111-R609 WeakPolarHBondContact OH-CD 3.41Å; Y111-R609 PolarHBondContact OH-NH1 3.31Å; K605-R609 WeakPolarHBondContact O-CB 3.26Å; K605-R609 PolarHBondContact O-N 3.29Å; L606-R609 PolarHBondContact O-N 2.93Å; I607-R609 VanDerWaalsContact C-N 3.28Å; I607-R609 PolarHBondContact O-N 3.37Å; R609-K613 WeakPolarHBondContact O-CB 3.45Å; R609-K613 WeakPolarHBondContact O-CG 3.49Å; R609-K613 PolarHBondContact O-N 3.44Å; R609-K613 VanDerWaalsContact O-N 3.09Å |
| 610 | K | 79.7 | Confident | 68.6 | Low | 162 Ų | 162 | 103.7 Ų | 103.7 | 70% | 0.704 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.3 | -40.4 | 175.8 | -78.4 | -172.8 | 177.5 | -176.1 | 0 | 111.7 | L606 I607 K614 | L606-K610 WeakPolarHBondContact O-CG 3.14Å; L606-K610 PolarHBondContact O-N 3.19Å; I607-K610 PolarHBondContact O-N 2.98Å; K610-K614 PolarHBondContact O-N 3.34Å |
| 611 | F | 76.2 | Confident | 66.1 | Low | 131 Ų | 131 | 103.4 Ų | 103.4 | 58% | 0.575 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -70.2 | -46.1 | 176.8 | -81.1 | -75.1 | 0 | 0 | 0 | 112.5 | I607 Q608 K613 K614 D615 | I607-F611 HydrophobicContact CG2-CD2 3.51Å; I607-F611 HydrophobicContact CG2-CE2 3.52Å; I607-F611 WeakPolarHBondContact O-CD2 3.41Å; I607-F611 PolarHBondContact O-N 2.96Å; Q608-F611 PolarHBondContact O-N 3.08Å; F611-K613 VanDerWaalsContact C-N 3.26Å; F611-K613 PolarHBondContact O-N 3.15Å; F611-K614 WeakPolarHBondContact O-CA 3.35Å; F611-K614 VanDerWaalsContact O-CB 3.24Å; F611-K614 WeakPolarHBondContact O-CB 3.24Å; F611-K614 PolarHBondContact O-N 3.01Å; F611-D615 PolarHBondContact O-N 3.47Å |
| 612 | C | 62.9 | Low | 63.6 | Low | 73 Ų | 73 | 108.4 Ų | 108.4 | 49% | 0.493 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.2 | -26.8 | 176 | -68.3 | 0 | 0 | 0 | 0 | 113.6 | Q608 K614 Y616 | Q608-C612 WeakPolarHBondContact O-CB 3.49Å; Q608-C612 PolarHBondContact O-N 3.22Å; Q608-C612 PolarHBondContact O-SG 2.8Å; Q608-C612 VanDerWaalsContact O-SG 3.41Å; C612-K614 VanDerWaalsContact C-N 3.29Å; C612-Y616 PolarHBondContact O-N 2.82Å |
| 613 | K | 58.3 | Low | 61 | Low | 140 Ų | 140 | 111.3 Ų | 111.3 | 61% | 0.609 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -70 | -26.6 | 169.7 | -88.2 | -171.4 | 170.4 | -167.9 | 0 | 112.9 | R609 F611 S617 | R609-K613 WeakPolarHBondContact O-CB 3.45Å; R609-K613 WeakPolarHBondContact O-CG 3.49Å; R609-K613 PolarHBondContact O-N 3.44Å; R609-K613 VanDerWaalsContact O-N 3.09Å; F611-K613 VanDerWaalsContact C-N 3.26Å; F611-K613 PolarHBondContact O-N 3.15Å; K613-S617 PolarHBondContact O-N 2.78Å |
| 614 | K | 44.6 | Very low | 58.6 | Low | 137 Ų | 137 | 113 Ų | 113 | 60% | 0.596 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -74.1 | -40.4 | 177.6 | -143.6 | 176.8 | -178.6 | -174.4 | 0 | 110.6 | K610 F611 C612 Y616 S617 D618 | K610-K614 PolarHBondContact O-N 3.34Å; F611-K614 WeakPolarHBondContact O-CA 3.35Å; F611-K614 VanDerWaalsContact O-CB 3.24Å; F611-K614 WeakPolarHBondContact O-CB 3.24Å; F611-K614 PolarHBondContact O-N 3.01Å; C612-K614 VanDerWaalsContact C-N 3.29Å; K614-Y616 VanDerWaalsContact C-N 3.32Å; K614-Y616 PolarHBondContact O-N 3.46Å; K614-S617 WeakPolarHBondContact O-CB 3.44Å; K614-S617 PolarHBondContact O-N 3.42Å; K614-S617 VanDerWaalsContact O-N 3.08Å; K614-D618 PolarHBondContact O-N 3.06Å |
| 615 | D | 41.6 | Very low | 56.1 | Low | 115 Ų | 115 | 111.5 Ų | 111.5 | 62% | 0.615 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.9 | -34.3 | 175.4 | -67.7 | -26.1 | 0 | 0 | 0 | 113 | F611 S617 D618 S619 | F611-D615 PolarHBondContact O-N 3.47Å; D615-S617 VanDerWaalsContact C-N 3.29Å; D615-S617 PolarHBondContact O-N 2.72Å; D615-D618 PolarHBondContact O-N 2.97Å; D615-S619 PolarHBondContact O-N 3.35Å; D615-S619 PolarHBondContact O-OG 3.36Å |
| 616 | Y | 38.4 | Very low | 53.6 | Low | 189 Ų | 189 | 113 Ų | 113 | 74% | 0.741 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -74.8 | -18.4 | 175.6 | -136.2 | -87 | 0 | 0 | 0 | 113.6 | C612 K614 | C612-Y616 PolarHBondContact O-N 2.82Å; K614-Y616 VanDerWaalsContact C-N 3.32Å; K614-Y616 PolarHBondContact O-N 3.46Å |
| 617 | S | 37.8 | Very low | 51.1 | Low | 89 Ų | 89 | 118.3 Ų | 118.3 | 62% | 0.622 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -83.8 | -24.2 | 175.3 | -178.5 | 0 | 0 | 0 | 0 | 112.5 | K613 K614 D615 | K613-S617 PolarHBondContact O-N 2.78Å; K614-S617 WeakPolarHBondContact O-CB 3.44Å; K614-S617 PolarHBondContact O-N 3.42Å; K614-S617 VanDerWaalsContact O-N 3.08Å; D615-S617 VanDerWaalsContact C-N 3.29Å; D615-S617 PolarHBondContact O-N 2.72Å |
| 618 | D | 37.9 | Very low | 48.6 | Very low | 138 Ų | 138 | 119.8 Ų | 119.8 | 74% | 0.738 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -95.6 | -12.4 | 177.1 | -85.4 | -19.6 | 0 | 0 | 0 | 113.2 | K614 D615 T620 | K614-D618 PolarHBondContact O-N 3.06Å; D615-D618 PolarHBondContact O-N 2.97Å; D618-T620 PolarHBondContact O-N 3.33Å |
| 619 | S | 36.1 | Very low | 46.1 | Very low | 56 Ų | 56 | 125 Ų | 125 | 39% | 0.392 | 65% | 0.648 | S | S | . | * | trans | -94.6 | 72.3 | 166.8 | 70.3 | 0 | 0 | 0 | 0 | 110.8 | D615 V621 | D615-S619 PolarHBondContact O-N 3.35Å; D615-S619 PolarHBondContact O-OG 3.36Å; S619-V621 VanDerWaalsContact C-N 3.27Å; S619-V621 PolarHBondContact O-N 2.87Å | ||
| 620 | T | 32.5 | Very low | 43.8 | Very low | 120 Ų | 120 | 127.9 Ų | 127.9 | 74% | 0.736 | 67% | 0.669 | S | S | * | * | trans | -59.2 | 101.3 | 151.7 | 41.9 | 0 | 0 | 0 | 0 | 106.7 | D618 D622 | D618-T620 PolarHBondContact O-N 3.33Å; T620-D622 PolarHBondContact O-N 3.42Å | ||
| 621 | V | 39.5 | Very low | 41.6 | Very low | 97 Ų | 97 | 124.7 Ų | 124.7 | 59% | 0.588 | 67% | 0.667 | S | S | * | * | trans | -65.9 | 91.4 | 172.8 | -177.7 | 0 | 0 | 0 | 0 | 106.5 | S619 T623 | S619-V621 VanDerWaalsContact C-N 3.27Å; S619-V621 PolarHBondContact O-N 2.87Å; V621-T623 HydrophobicContact CG1-CG2 3.58Å; V621-T623 WeakPolarHBondContact CG1-OG1 3.45Å; V621-T623 PolarHBondContact O-N 3.2Å; V621-T623 PolarHBondContact O-OG1 3.4Å | ||
| 622 | D | 38.2 | Very low | 39.6 | Very low | 154 Ų | 154 | 125.8 Ų | 125.8 | 82% | 0.824 | 68% | 0.679 | S | S | * | * | trans | -67.9 | 67.6 | 159.9 | -94.8 | -24.6 | 0 | 0 | 0 | 108 | T620 I624 | T620-D622 PolarHBondContact O-N 3.42Å; D622-I624 PolarHBondContact O-N 3.15Å | ||
| 623 | T | 38.1 | Very low | 38.5 | Very low | 87 Ų | 87 | 132.1 Ų | 132.1 | 53% | 0.534 | 70% | 0.698 | S | S | . | * | trans | -71.4 | 118.7 | 169.5 | 15.6 | 0 | 0 | 0 | 0 | 108.5 | V621 S625 A626 | V621-T623 HydrophobicContact CG1-CG2 3.58Å; V621-T623 WeakPolarHBondContact CG1-OG1 3.45Å; V621-T623 PolarHBondContact O-N 3.2Å; V621-T623 PolarHBondContact O-OG1 3.4Å; T623-S625 PolarHBondContact O-N 3.4Å; T623-A626 PolarHBondContact O-N 2.94Å | ||
| 624 | I | 41.2 | Very low | 37.4 | Very low | 138 Ų | 138 | 133.7 Ų | 133.7 | 71% | 0.708 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -48.9 | -20.1 | 173.5 | -68.2 | 163.8 | 0 | 0 | 0 | 112.8 | D622 A626 K627 | D622-I624 PolarHBondContact O-N 3.15Å; I624-A626 PolarHBondContact O-N 2.74Å; I624-K627 PolarHBondContact O-N 3.49Å |
| 625 | S | 39.2 | Very low | 36.9 | Very low | 96 Ų | 96 | 136.6 Ų | 136.6 | 67% | 0.671 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -65.7 | -19.1 | 175.4 | -145.6 | 0 | 0 | 0 | 0 | 114.7 | T623 | T623-S625 PolarHBondContact O-N 3.4Š|
| 626 | A | 36 | Very low | 36.6 | Very low | 83 Ų | 83 | 144.4 Ų | 144.4 | 69% | 0.686 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -82.4 | -11.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | T623 I624 | T623-A626 PolarHBondContact O-N 2.94Å; I624-A626 PolarHBondContact O-N 2.74Å |
| 627 | K | 35.2 | Very low | 36.5 | Very low | 188 Ų | 188 | 142.2 Ų | 142.2 | 82% | 0.817 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -93.4 | -9.1 | 178.1 | -86.2 | -178 | 177.6 | 173.5 | 0 | 114.7 | I624 | I624-K627 PolarHBondContact O-N 3.49Š|
| 628 | I | 37.8 | Very low | 36.4 | Very low | 121 Ų | 121 | 144.9 Ų | 144.9 | 62% | 0.621 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -95.1 | -14 | -175.1 | -62.5 | 173.4 | 0 | 0 | 0 | 112.4 | M630 | I628-M630 PolarHBondContact O-N 2.98Š|
| 629 | Q | 33.9 | Very low | 36.4 | Very low | 183 Ų | 183 | 145.3 Ų | 145.3 | 86% | 0.855 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | 6.3 | -176.1 | -111.9 | -179.7 | -9.1 | 0 | 0 | 116.6 | ||
| 630 | M | 34.2 | Very low | 36.4 | Very low | 188 Ų | 188 | 150.6 Ų | 150.6 | 93% | 0.926 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.4 | 7 | 177.5 | -75.7 | -166.7 | 90 | 0 | 0 | 115.8 | I628 | I628-M630 PolarHBondContact O-N 2.98Š|
| 631 | S | 33.5 | Very low | 36.6 | Very low | 95 Ų | 95 | 152.5 Ų | 152.5 | 66% | 0.664 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -104.3 | -12.9 | -178.1 | -164.8 | 0 | 0 | 0 | 0 | 116.5 | ||
| 632 | D | 35.3 | Very low | 36.4 | Very low | 155 Ų | 155 | 156.2 Ų | 156.2 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -104.6 | 18 | -171.3 | -78.5 | -15.7 | 0 | 0 | 0 | 115.4 | ||
| 633 | K | 38.8 | Very low | 36.3 | Very low | 205 Ų | 205 | 156.4 Ų | 156.4 | 89% | 0.891 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -119.4 | 59.7 | 167.2 | -81.9 | -170.2 | 177.7 | 179 | 0 | 111.8 | ||
| 634 | M | 36.1 | Very low | 36.2 | Very low | 173 Ų | 173 | 161.7 Ų | 161.7 | 85% | 0.852 | 82% | 0.816 | S | S | * | * | trans | -173 | 99.9 | 154 | -110.8 | 179.3 | 178.4 | 0 | 0 | 109.5 | ||||
| 635 | K | 32.9 | Very low | 35.8 | Very low | 198 Ų | 198 | 163.7 Ų | 163.7 | 86% | 0.861 | 83% | 0.825 | S | S | * | * | trans | 172 | 117.6 | 136.6 | -95.1 | 163.3 | -174.7 | -177.6 | 0 | 110.8 | ||||
| 636 | F | 36.3 | Very low | 35.4 | Very low | 279 Ų | 279 | 169.8 Ų | 169.8 | 100% | 1.224 | 84% | 0.839 | S | S | * | * | trans | 61.2 | 0 | 162.7 | -71.6 | -80.6 | 0 | 0 | 0 | 119.5 |
Retrieved 636 of 636 residues in 226.7 ms
(Link to these results)