| 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 | 40.8 | Very low | 50.2 | Low | 239 Ų | 239 | 111.3 Ų | 111.3 | 100% | 1.177 | 68% | 0.677 | S | S | * | * | 0 | 64.5 | 0 | -70.3 | -173.7 | 178.1 | 0 | 0 | 111 | |||||
| 2 | L | 43.3 | Very low | 51.3 | Low | 171 Ų | 171 | 108.8 Ų | 108.8 | 90% | 0.895 | 66% | 0.662 | S | S | * | * | trans | -140.9 | 16.5 | -175.3 | -89.9 | 169.8 | 0 | 0 | 0 | 115.7 | ||||
| 3 | T | 44.6 | Very low | 51.8 | Low | 135 Ų | 135 | 104 Ų | 104 | 83% | 0.828 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -110 | 3.7 | -176.5 | 44 | 0 | 0 | 0 | 0 | 115.4 | ||
| 4 | T | 52 | Low | 52.5 | Low | 116 Ų | 116 | 105.5 Ų | 105.5 | 71% | 0.712 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -93.8 | -10.9 | -177.5 | 45.4 | 0 | 0 | 0 | 0 | 115.1 | V8 | T4-V8 WeakPolarHBondContact O-CG2 3.5Š|
| 5 | G | 46.5 | Very low | 53.4 | Low | 47 Ų | 47 | 102.6 Ų | 102.6 | 49% | 0.485 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -81.4 | -37.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | T9 | G5-T9 PolarHBondContact O-N 2.75Å; G5-T9 PolarHBondContact O-OG1 3.32Å; G5-T9 VanDerWaalsContact O-OG1 3.1Å |
| 6 | A | 50.7 | Low | 54.3 | Low | 69 Ų | 69 | 104 Ų | 104 | 57% | 0.57 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -77 | -28.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | T9 N10 | A6-T9 WeakPolarHBondContact CA-OG1 3.46Å; A6-T9 PolarHBondContact O-OG1 2.68Å; A6-T9 VanDerWaalsContact O-OG1 3.13Å; A6-N10 PolarHBondContact O-N 2.99Å |
| 7 | A | 49.1 | Very low | 54.9 | Low | 63 Ų | 63 | 102.2 Ų | 102.2 | 52% | 0.521 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -73.3 | -36.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V11 | A7-V11 VanDerWaalsContact O-CG2 3.23Å; A7-V11 WeakPolarHBondContact O-CG2 3.33Å; A7-V11 PolarHBondContact O-N 3.42Å |
| 8 | V | 53.2 | Low | 56.4 | Low | 94 Ų | 94 | 99.7 Ų | 99.7 | 57% | 0.57 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -71.3 | -41.9 | -179.2 | -179.8 | 0 | 0 | 0 | 0 | 111.1 | T4 N10 V11 T12 | T4-V8 WeakPolarHBondContact O-CG2 3.5Å; V8-N10 PolarHBondContact O-N 2.83Å; V8-V11 PolarHBondContact O-N 3.29Å; V8-T12 PolarHBondContact O-N 3.02Å; V8-T12 VanDerWaalsContact O-N 3.08Å; V8-T12 PolarHBondContact O-OG1 3.31Å |
| 9 | T | 54.9 | Low | 58 | Low | 84 Ų | 84 | 100.4 Ų | 100.4 | 52% | 0.515 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.3 | -38.7 | 176.8 | 44.4 | 0 | 0 | 0 | 0 | 113.1 | G5 A6 T12 A13 | G5-T9 PolarHBondContact O-N 2.75Å; G5-T9 PolarHBondContact O-OG1 3.32Å; G5-T9 VanDerWaalsContact O-OG1 3.1Å; A6-T9 WeakPolarHBondContact CA-OG1 3.46Å; A6-T9 PolarHBondContact O-OG1 2.68Å; A6-T9 VanDerWaalsContact O-OG1 3.13Å; T9-T12 WeakPolarHBondContact CA-OG1 3.44Å; T9-T12 PolarHBondContact O-OG1 2.96Å; T9-A13 WeakPolarHBondContact O-CB 3.33Å; T9-A13 PolarHBondContact O-N 3.34Å |
| 10 | N | 57 | Low | 59.7 | Low | 107 Ų | 107 | 101.1 Ų | 101.1 | 57% | 0.572 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67.2 | -38.1 | 175.9 | -84.3 | -9.3 | 0 | 0 | 0 | 112.6 | A6 V8 A13 L14 | A6-N10 PolarHBondContact O-N 2.99Å; V8-N10 PolarHBondContact O-N 2.83Å; N10-A13 PolarHBondContact O-N 3.1Å; N10-L14 WeakPolarHBondContact O-CB 3.43Å; N10-L14 WeakPolarHBondContact O-CD1 3.02Å; N10-L14 VanDerWaalsContact O-CG 3.27Å; N10-L14 WeakPolarHBondContact O-CG 3.5Å; N10-L14 PolarHBondContact O-N 3.36Å |
| 11 | V | 60.3 | Low | 61.4 | Low | 99 Ų | 99 | 101 Ų | 101 | 60% | 0.6 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -67.5 | -40.9 | 177.2 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | A7 V8 L14 A15 | A7-V11 VanDerWaalsContact O-CG2 3.23Å; A7-V11 WeakPolarHBondContact O-CG2 3.33Å; A7-V11 PolarHBondContact O-N 3.42Å; V8-V11 PolarHBondContact O-N 3.29Å; V11-L14 PolarHBondContact O-N 3.36Å; V11-A15 WeakPolarHBondContact O-CB 3.38Å; V11-A15 PolarHBondContact O-N 3.05Å |
| 12 | T | 63.2 | Low | 64 | Low | 82 Ų | 82 | 89.8 Ų | 89.8 | 50% | 0.503 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.2 | -39 | 175.5 | 43 | 0 | 0 | 0 | 0 | 112.9 | V8 T9 A15 Q16 | V8-T12 PolarHBondContact O-N 3.02Å; V8-T12 VanDerWaalsContact O-N 3.08Å; V8-T12 PolarHBondContact O-OG1 3.31Å; T9-T12 WeakPolarHBondContact CA-OG1 3.44Å; T9-T12 PolarHBondContact O-OG1 2.96Å; T12-A15 PolarHBondContact O-N 3.37Å; T12-Q16 WeakPolarHBondContact O-CB 2.96Å; T12-Q16 PolarHBondContact O-N 2.92Å |
| 13 | A | 58.5 | Low | 66.5 | Low | 46 Ų | 46 | 86.5 Ų | 86.5 | 38% | 0.38 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.2 | -41 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | T9 N10 Q16 V17 | T9-A13 WeakPolarHBondContact O-CB 3.33Å; T9-A13 PolarHBondContact O-N 3.34Å; N10-A13 PolarHBondContact O-N 3.1Å; A13-Q16 PolarHBondContact O-N 2.9Å; A13-V17 VanDerWaalsContact O-CG2 3.31Å; A13-V17 WeakPolarHBondContact O-CG2 3.27Å; A13-V17 PolarHBondContact O-N 2.77Å |
| 14 | L | 60.8 | Low | 69 | Low | 125 Ų | 125 | 85 Ų | 85 | 65% | 0.654 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.4 | -40.6 | 175.4 | -74.3 | 163.6 | 0 | 0 | 0 | 112.2 | N10 V11 Q16 V17 D18 | N10-L14 WeakPolarHBondContact O-CB 3.43Å; N10-L14 WeakPolarHBondContact O-CD1 3.02Å; N10-L14 VanDerWaalsContact O-CG 3.27Å; N10-L14 WeakPolarHBondContact O-CG 3.5Å; N10-L14 PolarHBondContact O-N 3.36Å; V11-L14 PolarHBondContact O-N 3.36Å; L14-Q16 VanDerWaalsContact C-N 3.32Å; L14-V17 PolarHBondContact O-N 3.28Å; L14-D18 PolarHBondContact O-N 3.2Å |
| 15 | A | 66.6 | Low | 71.3 | Confident | 62 Ų | 62 | 81 Ų | 81 | 51% | 0.512 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.3 | -35.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | V11 T12 R19 | V11-A15 WeakPolarHBondContact O-CB 3.38Å; V11-A15 PolarHBondContact O-N 3.05Å; T12-A15 PolarHBondContact O-N 3.37Å; A15-R19 PolarHBondContact O-N 2.76Å; A15-R19 VanDerWaalsContact O-N 3.17Å |
| 16 | Q | 67.7 | Low | 73.7 | Confident | 125 Ų | 125 | 79 Ų | 79 | 58% | 0.584 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -68.7 | -43.5 | 176.4 | -171.6 | 172.8 | -12.6 | 0 | 0 | 112 | T12 A13 L14 D18 R19 E20 | T12-Q16 WeakPolarHBondContact O-CB 2.96Å; T12-Q16 PolarHBondContact O-N 2.92Å; A13-Q16 PolarHBondContact O-N 2.9Å; L14-Q16 VanDerWaalsContact C-N 3.32Å; Q16-D18 VanDerWaalsContact C-N 3.32Å; Q16-D18 PolarHBondContact O-N 2.96Å; Q16-R19 PolarHBondContact O-N 2.75Å; Q16-R19 VanDerWaalsContact O-N 3.14Å; Q16-E20 PolarHBondContact O-N 2.83Å |
| 17 | V | 64.2 | Low | 76 | Confident | 74 Ų | 74 | 81 Ų | 81 | 45% | 0.448 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.1 | -35.6 | 175.8 | 172.5 | 0 | 0 | 0 | 0 | 111.9 | A13 L14 R19 K21 | A13-V17 VanDerWaalsContact O-CG2 3.31Å; A13-V17 WeakPolarHBondContact O-CG2 3.27Å; A13-V17 PolarHBondContact O-N 2.77Å; L14-V17 PolarHBondContact O-N 3.28Å; V17-R19 VanDerWaalsContact C-N 3.31Å; V17-K21 WeakPolarHBondContact O-CG 3.4Å; V17-K21 PolarHBondContact O-N 2.94Å |
| 18 | D | 81.4 | Confident | 78.3 | Confident | 57 Ų | 57 | 80.1 Ų | 80.1 | 31% | 0.305 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -67.8 | -34.1 | 174.9 | -155.6 | 23 | 0 | 0 | 0 | 111.3 | L14 Q16 I22 K45 | L14-D18 PolarHBondContact O-N 3.2Å; Q16-D18 VanDerWaalsContact C-N 3.32Å; Q16-D18 PolarHBondContact O-N 2.96Å; D18-I22 WeakPolarHBondContact O-CD1 3.22Å; D18-I22 WeakPolarHBondContact O-CG1 3.33Å; D18-I22 PolarHBondContact O-N 3.09Å; D18-K45 VanDerWaalsContact CG-NZ 3.3Å; D18-K45 IonicContact OD1-NZ 2.73Å; D18-K45 PolarHBondContact OD1-NZ 3.02Å; D18-K45 IonicContact OD2-NZ 3.81Å; D18-K45 PolarHBondContact OD2-NZ 3.24Å |
| 19 | R | 87.8 | Confident | 80.4 | Confident | 112 Ų | 112 | 75.6 Ų | 75.6 | 42% | 0.423 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -73 | -38.3 | 178.6 | -151.7 | 173.3 | -169.8 | -170.5 | 1.6 | 113.5 | A15 Q16 V17 K21 I22 Y23 D51 | A15-R19 PolarHBondContact O-N 2.76Å; A15-R19 VanDerWaalsContact O-N 3.17Å; Q16-R19 PolarHBondContact O-N 2.75Å; Q16-R19 VanDerWaalsContact O-N 3.14Å; V17-R19 VanDerWaalsContact C-N 3.31Å; R19-K21 VanDerWaalsContact C-N 3.29Å; R19-K21 PolarHBondContact O-N 3.44Å; R19-I22 WeakPolarHBondContact O-CB 3.26Å; R19-I22 PolarHBondContact O-N 3.31Å; R19-Y23 HydrophobicContact CG-CE2 3.88Å; R19-Y23 PolarHBondContact NE-OH 2.9Å; R19-Y23 VanDerWaalsContact O-CD2 3.26Å; R19-Y23 WeakPolarHBondContact O-CD2 3.36Å; R19-Y23 PolarHBondContact O-N 3.31Å; R19-Y23 VanDerWaalsContact O-N 3.11Å; R19-D51 IonicContact CZ-OD2 3.77Å; R19-D51 IonicContact NE-OD2 2.83Å; R19-D51 IonicContact NH2-OD2 3.73Å; R19-D51 PolarHBondContact NH2-OD2 3.45Å |
| 20 | E | 91.6 | Very high | 82.4 | Confident | 114 Ų | 114 | 74.5 Ų | 74.5 | 53% | 0.533 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.3 | -40.8 | 173.7 | -74.2 | 176.3 | -176.4 | 0 | 0 | 111.7 | Q16 I22 Y23 Q24 | Q16-E20 PolarHBondContact O-N 2.83Å; E20-I22 VanDerWaalsContact C-N 3.34Å; E20-I22 PolarHBondContact O-N 3.29Å; E20-Y23 PolarHBondContact O-N 3.28Å; E20-Q24 WeakPolarHBondContact O-CB 3.44Å; E20-Q24 PolarHBondContact O-N 3.45Å |
| 21 | K | 94.7 | Very high | 84.2 | Confident | 99 Ų | 99 | 71.6 Ų | 71.6 | 43% | 0.43 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.9 | -39 | 174.8 | -72.2 | -180 | 178.6 | -179 | 0 | 112.7 | V17 R19 Q24 W25 | V17-K21 WeakPolarHBondContact O-CG 3.4Å; V17-K21 PolarHBondContact O-N 2.94Å; R19-K21 VanDerWaalsContact C-N 3.29Å; R19-K21 PolarHBondContact O-N 3.44Å; K21-Q24 WeakPolarHBondContact O-CB 3.32Å; K21-Q24 PolarHBondContact O-N 3.47Å; K21-W25 HydrophobicContact CB-CE3 4.36Å; K21-W25 HydrophobicContact CB-CH2 3.93Å; K21-W25 HydrophobicContact CB-CZ2 4.13Å; K21-W25 HydrophobicContact CB-CZ3 4.03Å; K21-W25 HydrophobicContact CD-CH2 4.36Å; K21-W25 HydrophobicContact CD-CZ2 4.44Å; K21-W25 VanDerWaalsContact O-CD2 3.23Å; K21-W25 PolarHBondContact O-N 3.29Å |
| 22 | I | 96 | Very high | 86 | Confident | 5 Ų | 5 | 71 Ų | 71 | 3% | 0.026 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.8 | -48.2 | 175.7 | -68.3 | 157.5 | 0 | 0 | 0 | 110.4 | D18 R19 E20 Q24 W25 I26 L42 V49 L52 M55 | D18-I22 WeakPolarHBondContact O-CD1 3.22Å; D18-I22 WeakPolarHBondContact O-CG1 3.33Å; D18-I22 PolarHBondContact O-N 3.09Å; R19-I22 WeakPolarHBondContact O-CB 3.26Å; R19-I22 PolarHBondContact O-N 3.31Å; E20-I22 VanDerWaalsContact C-N 3.34Å; E20-I22 PolarHBondContact O-N 3.29Å; I22-Q24 VanDerWaalsContact C-N 3.31Å; I22-Q24 PolarHBondContact O-N 2.83Å; I22-W25 HydrophobicContact CG1-CE3 4.38Å; I22-W25 HydrophobicContact CG1-CZ3 4.34Å; I22-W25 PolarHBondContact O-N 3.49Å; I22-I26 HydrophobicContact CG2-CD1 3.9Å; I22-I26 HydrophobicContact CG2-CG1 4.48Å; I22-I26 VanDerWaalsContact O-CG1 3.28Å; I22-I26 WeakPolarHBondContact O-CG1 3.49Å; I22-I26 PolarHBondContact O-N 2.67Å; I22-L42 HydrophobicContact CG2-CD2 4.15Å; I22-V49 HydrophobicContact CD1-CB 4.32Å; I22-V49 HydrophobicContact CD1-CG1 4Å; I22-V49 HydrophobicContact CD1-CG2 3.32Å; I22-V49 HydrophobicContact CG1-CG2 4.35Å; I22-L52 HydrophobicContact CG2-CD1 4Å; I22-M55 HydrophobicContact CG2-SD 4.14Å |
| 23 | Y | 96.3 | Very high | 87.6 | Confident | 101 Ų | 101 | 75.8 Ų | 75.8 | 40% | 0.396 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.8 | -40.2 | 176.7 | -62.6 | -46.4 | 0 | 0 | 0 | 112.4 | R19 E20 I26 N27 M55 | R19-Y23 HydrophobicContact CG-CE2 3.88Å; R19-Y23 PolarHBondContact NE-OH 2.9Å; R19-Y23 VanDerWaalsContact O-CD2 3.26Å; R19-Y23 WeakPolarHBondContact O-CD2 3.36Å; R19-Y23 PolarHBondContact O-N 3.31Å; R19-Y23 VanDerWaalsContact O-N 3.11Å; E20-Y23 PolarHBondContact O-N 3.28Å; Y23-I26 PolarHBondContact O-N 3.22Å; Y23-N27 PolarHBondContact O-N 3.27Å; Y23-N27 PolarHBondContact O-ND2 2.93Å; Y23-M55 HydrophobicContact CD1-SD 4.38Å; Y23-M55 HydrophobicContact CE1-CE 3.88Å; Y23-M55 HydrophobicContact CE1-CG 4.21Å; Y23-M55 HydrophobicContact CE1-SD 3.71Å |
| 24 | Q | 97.6 | Very high | 89.5 | Confident | 104 Ų | 104 | 75.9 Ų | 75.9 | 49% | 0.486 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59 | -51.2 | 174.9 | -178.2 | -177.7 | -14.4 | 0 | 0 | 111.3 | E20 K21 I22 I26 N27 E28 | E20-Q24 WeakPolarHBondContact O-CB 3.44Å; E20-Q24 PolarHBondContact O-N 3.45Å; K21-Q24 WeakPolarHBondContact O-CB 3.32Å; K21-Q24 PolarHBondContact O-N 3.47Å; I22-Q24 VanDerWaalsContact C-N 3.31Å; I22-Q24 PolarHBondContact O-N 2.83Å; Q24-I26 VanDerWaalsContact C-N 3.31Å; Q24-I26 PolarHBondContact O-N 3.22Å; Q24-N27 WeakPolarHBondContact O-CB 3.5Å; Q24-N27 PolarHBondContact O-N 2.82Å; Q24-N27 VanDerWaalsContact O-N 3.16Å; Q24-E28 HydrophobicContact CG-CG 4.48Å; Q24-E28 WeakPolarHBondContact CG-OE1 3.15Å; Q24-E28 PolarHBondContact NE2-OE1 3.21Å; Q24-E28 WeakPolarHBondContact O-CG 3.47Å; Q24-E28 PolarHBondContact O-N 3.01Å |
| 25 | W | 98.4 | Very high | 91.3 | Very high | 32 Ų | 32 | 70.5 Ų | 70.5 | 12% | 0.121 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.3 | -37.8 | 178.7 | -65.3 | -38.8 | 0 | 0 | 0 | 112.4 | K21 I22 N27 E28 L29 A38 E41 L42 K45 | K21-W25 HydrophobicContact CB-CE3 4.36Å; K21-W25 HydrophobicContact CB-CH2 3.93Å; K21-W25 HydrophobicContact CB-CZ2 4.13Å; K21-W25 HydrophobicContact CB-CZ3 4.03Å; K21-W25 HydrophobicContact CD-CH2 4.36Å; K21-W25 HydrophobicContact CD-CZ2 4.44Å; K21-W25 VanDerWaalsContact O-CD2 3.23Å; K21-W25 PolarHBondContact O-N 3.29Å; I22-W25 HydrophobicContact CG1-CE3 4.38Å; I22-W25 HydrophobicContact CG1-CZ3 4.34Å; I22-W25 PolarHBondContact O-N 3.49Å; W25-N27 VanDerWaalsContact C-N 3.32Å; W25-N27 PolarHBondContact O-N 3.19Å; W25-E28 PolarHBondContact O-N 2.84Å; W25-L29 PolarHBondContact O-N 3.45Å; W25-L29 VanDerWaalsContact O-N 3.14Å; W25-A38 HydrophobicContact CB-CB 4.15Å; W25-A38 VanDerWaalsContact O-CB 3.3Å; W25-A38 WeakPolarHBondContact O-CB 3.27Å; W25-E41 HydrophobicContact CD2-CB 3.82Å; W25-E41 HydrophobicContact CE3-CB 4.07Å; W25-E41 HydrophobicContact CG-CB 4.38Å; W25-E41 HydrophobicContact CH2-CB 4.14Å; W25-E41 HydrophobicContact CZ2-CB 3.87Å; W25-E41 HydrophobicContact CZ2-CG 4.08Å; W25-E41 HydrophobicContact CZ3-CB 4.24Å; W25-L42 HydrophobicContact CB-CD1 3.94Å; W25-L42 HydrophobicContact CB-CD2 3.88Å; W25-L42 HydrophobicContact CB-CG 3.71Å; W25-L42 HydrophobicContact CE3-CD2 4.19Å; W25-K45 HydrophobicContact CZ3-CG 4.19Å |
| 26 | I | 98.3 | Very high | 92.8 | Very high | 5 Ų | 5 | 70.8 Ų | 70.8 | 3% | 0.026 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 175.6 | -70 | 172.8 | 0 | 0 | 0 | 110.8 | I22 Y23 Q24 L29 L42 L52 M55 L56 S59 T62 | I22-I26 HydrophobicContact CG2-CD1 3.9Å; I22-I26 HydrophobicContact CG2-CG1 4.48Å; I22-I26 VanDerWaalsContact O-CG1 3.28Å; I22-I26 WeakPolarHBondContact O-CG1 3.49Å; I22-I26 PolarHBondContact O-N 2.67Å; Y23-I26 PolarHBondContact O-N 3.22Å; Q24-I26 VanDerWaalsContact C-N 3.31Å; Q24-I26 PolarHBondContact O-N 3.22Å; I26-L29 WeakPolarHBondContact O-CB 3.47Å; I26-L29 PolarHBondContact O-N 3.05Å; I26-L42 HydrophobicContact CG1-CD1 4.06Å; I26-L42 HydrophobicContact CG1-CD2 4.06Å; I26-L52 HydrophobicContact CD1-CD1 4.16Å; I26-M55 HydrophobicContact CD1-CB 3.71Å; I26-M55 HydrophobicContact CD1-SD 4.47Å; I26-L56 HydrophobicContact CD1-CD2 4.33Å; I26-L56 HydrophobicContact CG1-CD2 4.01Å; I26-S59 VanDerWaalsContact CG2-OG 3.27Å; I26-S59 WeakPolarHBondContact CG2-OG 3.45Å; I26-T62 HydrophobicContact CG2-CG2 4.47Å |
| 27 | N | 97.7 | Very high | 94.2 | Very high | 111 Ų | 111 | 69 Ų | 69 | 59% | 0.594 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -64.7 | -41.2 | 176.2 | -69.8 | -31.5 | 0 | 0 | 0 | 111.7 | Y23 Q24 W25 L29 S30 | Y23-N27 PolarHBondContact O-N 3.27Å; Y23-N27 PolarHBondContact O-ND2 2.93Å; Q24-N27 WeakPolarHBondContact O-CB 3.5Å; Q24-N27 PolarHBondContact O-N 2.82Å; Q24-N27 VanDerWaalsContact O-N 3.16Å; W25-N27 VanDerWaalsContact C-N 3.32Å; W25-N27 PolarHBondContact O-N 3.19Å; N27-L29 PolarHBondContact O-N 3.21Å; N27-S30 WeakPolarHBondContact O-CB 3.43Å; N27-S30 PolarHBondContact O-N 2.83Å; N27-S30 VanDerWaalsContact O-N 3.1Å; N27-S30 PolarHBondContact O-OG 2.62Å |
| 28 | E | 98.1 | Very high | 95.9 | Very high | 44 Ų | 44 | 65.5 Ų | 65.5 | 21% | 0.206 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.9 | -16.6 | 177.6 | -76.4 | 174.2 | -173 | 0 | 0 | 113.7 | Q24 W25 S30 S31 T34 R35 A38 | Q24-E28 HydrophobicContact CG-CG 4.48Å; Q24-E28 WeakPolarHBondContact CG-OE1 3.15Å; Q24-E28 PolarHBondContact NE2-OE1 3.21Å; Q24-E28 WeakPolarHBondContact O-CG 3.47Å; Q24-E28 PolarHBondContact O-N 3.01Å; W25-E28 PolarHBondContact O-N 2.84Å; E28-S30 PolarHBondContact O-N 2.86Å; E28-S31 PolarHBondContact O-N 3.19Å; E28-T34 HydrophobicContact CG-CG2 4.43Å; E28-T34 PolarHBondContact O-OG1 3.02Å; E28-R35 PolarHBondContact O-N 3.25Å; E28-A38 HydrophobicContact CB-CB 3.97Å |
| 29 | L | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -24.2 | 171.8 | -69 | 175 | 0 | 0 | 0 | 112.8 | W25 I26 N27 R35 A38 L39 L42 L56 T62 A65 L66 | W25-L29 PolarHBondContact O-N 3.45Å; W25-L29 VanDerWaalsContact O-N 3.14Å; I26-L29 WeakPolarHBondContact O-CB 3.47Å; I26-L29 PolarHBondContact O-N 3.05Å; N27-L29 PolarHBondContact O-N 3.21Å; L29-R35 HydrophobicContact CD2-CG 4.02Å; L29-R35 WeakPolarHBondContact O-CG 3.4Å; L29-R35 PolarHBondContact O-NE 3.12Å; L29-A38 HydrophobicContact CD2-CB 3.8Å; L29-A38 HydrophobicContact CG-CB 4.18Å; L29-L39 HydrophobicContact CD2-CD2 3.66Å; L29-L39 HydrophobicContact CD2-CG 3.72Å; L29-L42 HydrophobicContact CD1-CD1 3.66Å; L29-L42 HydrophobicContact CD2-CD1 4.31Å; L29-L42 HydrophobicContact CG-CD1 4.01Å; L29-L56 HydrophobicContact CD1-CD2 4.19Å; L29-T62 HydrophobicContact CD1-CG2 3.65Å; L29-A65 WeakPolarHBondContact O-CB 3.3Å; L29-L66 HydrophobicContact CD1-CD2 4.46Å |
| 30 | S | 95.4 | Very high | 97.2 | Very high | 60 Ų | 60 | 60.8 Ų | 60.8 | 42% | 0.42 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -69.7 | -38.2 | -178.2 | -59.1 | 0 | 0 | 0 | 0 | 112.2 | N27 E28 R35 | N27-S30 WeakPolarHBondContact O-CB 3.43Å; N27-S30 PolarHBondContact O-N 2.83Å; N27-S30 VanDerWaalsContact O-N 3.1Å; N27-S30 PolarHBondContact O-OG 2.62Å; E28-S30 PolarHBondContact O-N 2.86Å; S30-R35 PolarHBondContact O-NH2 2.95Å |
| 31 | S | 96.5 | Very high | 97.5 | Very high | 47 Ų | 47 | 57.5 Ų | 57.5 | 33% | 0.329 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -87.8 | 126.5 | -178.3 | 176.7 | 0 | 0 | 0 | 0 | 111.6 | E28 E33 T34 R35 | E28-S31 PolarHBondContact O-N 3.19Å; S31-E33 PolarHBondContact O-N 3.26Å; S31-E33 VanDerWaalsContact O-N 3.13Å; S31-T34 WeakPolarHBondContact CB-OG1 3.45Å; S31-T34 PolarHBondContact O-N 3.23Å; S31-T34 PolarHBondContact O-OG1 2.86Å; S31-R35 VanDerWaalsContact O-CB 3.23Å; S31-R35 WeakPolarHBondContact O-CB 3.48Å; S31-R35 PolarHBondContact O-N 3.38Å |
| 32 | P | 96.1 | Very high | 97.6 | Very high | 87 Ų | 87 | 52.8 Ų | 52.8 | 57% | 0.565 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -55.2 | -30.4 | 178.5 | -27.1 | 35.5 | 0 | 0 | 0 | 114.8 | ||
| 33 | E | 97.4 | Very high | 97.7 | Very high | 181 Ų | 181 | 53.3 Ų | 53.3 | 85% | 0.846 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -72.7 | -34.1 | -177 | -63.3 | 179.6 | 178.1 | 0 | 0 | 112.7 | S31 | S31-E33 PolarHBondContact O-N 3.26Å; S31-E33 VanDerWaalsContact O-N 3.13Å |
| 34 | T | 98 | Very high | 97.7 | Very high | 49 Ų | 49 | 54.3 Ų | 54.3 | 30% | 0.301 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -100.9 | -21 | -176.6 | 51.9 | 0 | 0 | 0 | 0 | 112.8 | E28 S31 E36 N37 A38 | E28-T34 HydrophobicContact CG-CG2 4.43Å; E28-T34 PolarHBondContact O-OG1 3.02Å; S31-T34 WeakPolarHBondContact CB-OG1 3.45Å; S31-T34 PolarHBondContact O-N 3.23Å; S31-T34 PolarHBondContact O-OG1 2.86Å; T34-E36 VanDerWaalsContact C-N 3.3Å; T34-E36 PolarHBondContact O-N 3.3Å; T34-N37 PolarHBondContact O-N 2.96Å; T34-A38 PolarHBondContact O-N 3.39Å; T34-A38 VanDerWaalsContact O-N 3.16Å |
| 35 | R | 98.4 | Very high | 97.5 | Very high | 11 Ų | 11 | 51.6 Ų | 51.6 | 4% | 0.042 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -55.1 | -40.4 | -172.3 | -177.2 | -172.5 | -61.1 | 172.7 | -1 | 113.5 | E28 L29 S30 S31 N37 A38 L39 E69 | E28-R35 PolarHBondContact O-N 3.25Å; L29-R35 HydrophobicContact CD2-CG 4.02Å; L29-R35 WeakPolarHBondContact O-CG 3.4Å; L29-R35 PolarHBondContact O-NE 3.12Å; S30-R35 PolarHBondContact O-NH2 2.95Å; S31-R35 VanDerWaalsContact O-CB 3.23Å; S31-R35 WeakPolarHBondContact O-CB 3.48Å; S31-R35 PolarHBondContact O-N 3.38Å; R35-N37 PolarHBondContact O-N 2.92Å; R35-A38 PolarHBondContact O-N 3.46Å; R35-L39 HydrophobicContact CG-CD1 4.06Å; R35-L39 HydrophobicContact CG-CG 4.17Å; R35-L39 WeakPolarHBondContact O-CB 3.43Å; R35-L39 VanDerWaalsContact O-CG 3.23Å; R35-L39 WeakPolarHBondContact O-CG 3.38Å; R35-L39 PolarHBondContact O-N 3.38Å; R35-E69 WeakPolarHBondContact CD-OE1 3.46Å; R35-E69 IonicContact CZ-OE1 2.86Å; R35-E69 IonicContact NE-OE1 2.65Å; R35-E69 IonicContact NH1-OE1 3.85Å; R35-E69 PolarHBondContact NH1-OE1 3.4Å |
| 36 | E | 98.3 | Very high | 97.3 | Very high | 69 Ų | 69 | 54.5 Ų | 54.5 | 32% | 0.322 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | -176.3 | -174.9 | 171.4 | 158.6 | 0 | 0 | 112.7 | T34 L39 L40 H85 R89 | T34-E36 VanDerWaalsContact C-N 3.3Å; T34-E36 PolarHBondContact O-N 3.3Å; E36-L39 PolarHBondContact O-N 3.13Å; E36-L40 PolarHBondContact O-N 3.27Å; E36-H85 IonicContact OE1-CE1 3.63Å; E36-H85 PolarHBondContact OE1-CE1 3.31Å; E36-H85 IonicContact OE1-ND1 3.94Å; E36-H85 IonicContact OE1-NE2 2.65Å; E36-H85 PolarHBondContact OE1-NE2 2.93Å; E36-H85 IonicContact OE2-NE2 3.84Å; E36-R89 HydrophobicContact CG-CG 4.25Å; E36-R89 IonicContact OE2-CZ 3.65Å; E36-R89 IonicContact OE2-NH1 3.92Å; E36-R89 PolarHBondContact OE2-NH1 3.3Å |
| 37 | N | 98.3 | Very high | 96.9 | Very high | 88 Ų | 88 | 61.6 Ų | 61.6 | 47% | 0.471 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.5 | -43.6 | 176.7 | -177.4 | 71 | 0 | 0 | 0 | 111 | T34 R35 L39 L40 E41 | T34-N37 PolarHBondContact O-N 2.96Å; R35-N37 PolarHBondContact O-N 2.92Å; N37-L39 VanDerWaalsContact C-N 3.34Å; N37-L39 PolarHBondContact O-N 3.39Å; N37-L40 PolarHBondContact O-N 3.16Å; N37-L40 VanDerWaalsContact O-N 3.17Å; N37-E41 PolarHBondContact O-N 2.79Å |
| 38 | A | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.5 | -42.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | W25 E28 L29 T34 R35 L40 E41 L42 | W25-A38 HydrophobicContact CB-CB 4.15Å; W25-A38 VanDerWaalsContact O-CB 3.3Å; W25-A38 WeakPolarHBondContact O-CB 3.27Å; E28-A38 HydrophobicContact CB-CB 3.97Å; L29-A38 HydrophobicContact CD2-CB 3.8Å; L29-A38 HydrophobicContact CG-CB 4.18Å; T34-A38 PolarHBondContact O-N 3.39Å; T34-A38 VanDerWaalsContact O-N 3.16Å; R35-A38 PolarHBondContact O-N 3.46Å; A38-L40 VanDerWaalsContact C-N 3.33Å; A38-L40 PolarHBondContact O-N 3.47Å; A38-E41 PolarHBondContact O-N 3.43Å; A38-L42 VanDerWaalsContact O-CB 3.28Å; A38-L42 WeakPolarHBondContact O-CB 3.32Å; A38-L42 VanDerWaalsContact O-CG 3.26Å; A38-L42 WeakPolarHBondContact O-CG 3.07Å; A38-L42 PolarHBondContact O-N 2.87Å |
| 39 | L | 98.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.8 | -45.5 | 174.7 | -76 | 171.9 | 0 | 0 | 0 | 111.7 | L29 R35 E36 N37 S43 L66 E69 R89 N92 A93 L96 | L29-L39 HydrophobicContact CD2-CD2 3.66Å; L29-L39 HydrophobicContact CD2-CG 3.72Å; R35-L39 HydrophobicContact CG-CD1 4.06Å; R35-L39 HydrophobicContact CG-CG 4.17Å; R35-L39 WeakPolarHBondContact O-CB 3.43Å; R35-L39 VanDerWaalsContact O-CG 3.23Å; R35-L39 WeakPolarHBondContact O-CG 3.38Å; R35-L39 PolarHBondContact O-N 3.38Å; E36-L39 PolarHBondContact O-N 3.13Å; N37-L39 VanDerWaalsContact C-N 3.34Å; N37-L39 PolarHBondContact O-N 3.39Å; L39-S43 VanDerWaalsContact O-CB 3.23Å; L39-S43 WeakPolarHBondContact O-CB 3.44Å; L39-S43 PolarHBondContact O-N 3.15Å; L39-S43 PolarHBondContact O-OG 3.34Å; L39-L66 HydrophobicContact CD2-CD2 3.6Å; L39-E69 HydrophobicContact CD1-CG 3.98Å; L39-R89 HydrophobicContact CD1-CG 4.22Å; L39-N92 HydrophobicContact CB-CB 3.93Å; L39-A93 HydrophobicContact CD1-CB 4.49Å; L39-A93 HydrophobicContact CD2-CB 3.81Å; L39-L96 HydrophobicContact CD2-CD1 3.91Å |
| 40 | L | 98.4 | Very high | 95.9 | Very high | 69 Ų | 69 | 63.4 Ų | 63.4 | 36% | 0.361 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.2 | -44.7 | -179.7 | 176.6 | 63.4 | 0 | 0 | 0 | 112.1 | E36 N37 A38 S43 K44 | E36-L40 PolarHBondContact O-N 3.27Å; N37-L40 PolarHBondContact O-N 3.16Å; N37-L40 VanDerWaalsContact O-N 3.17Å; A38-L40 VanDerWaalsContact C-N 3.33Å; A38-L40 PolarHBondContact O-N 3.47Å; L40-S43 PolarHBondContact O-OG 3.27Å; L40-S43 VanDerWaalsContact O-OG 3.07Å; L40-K44 WeakPolarHBondContact O-CG 3.43Å; L40-K44 PolarHBondContact O-N 3.27Å |
| 41 | E | 98.1 | Very high | 95.9 | Very high | 45 Ų | 45 | 63.1 Ų | 63.1 | 21% | 0.21 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -72.6 | -42.3 | -177.8 | -66.1 | -52 | 123.9 | 0 | 0 | 111.8 | W25 N37 A38 S43 K44 K45 | W25-E41 HydrophobicContact CD2-CB 3.82Å; W25-E41 HydrophobicContact CE3-CB 4.07Å; W25-E41 HydrophobicContact CG-CB 4.38Å; W25-E41 HydrophobicContact CH2-CB 4.14Å; W25-E41 HydrophobicContact CZ2-CB 3.87Å; W25-E41 HydrophobicContact CZ2-CG 4.08Å; W25-E41 HydrophobicContact CZ3-CB 4.24Å; N37-E41 PolarHBondContact O-N 2.79Å; A38-E41 PolarHBondContact O-N 3.43Å; E41-S43 PolarHBondContact O-N 2.98Å; E41-K44 PolarHBondContact O-N 3.47Å; E41-K44 IonicContact OE1-NZ 2.88Å; E41-K44 PolarHBondContact OE1-NZ 3.4Å; E41-K44 IonicContact OE2-NZ 3.37Å; E41-K45 WeakPolarHBondContact O-CG 3.3Å; E41-K45 PolarHBondContact O-N 2.9Å |
| 42 | L | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.1 | -38.3 | 176.1 | -69.7 | 169.4 | 0 | 0 | 0 | 112 | I22 W25 I26 L29 A38 K44 K45 R46 L52 L56 L96 | I22-L42 HydrophobicContact CG2-CD2 4.15Å; W25-L42 HydrophobicContact CB-CD1 3.94Å; W25-L42 HydrophobicContact CB-CD2 3.88Å; W25-L42 HydrophobicContact CB-CG 3.71Å; W25-L42 HydrophobicContact CE3-CD2 4.19Å; I26-L42 HydrophobicContact CG1-CD1 4.06Å; I26-L42 HydrophobicContact CG1-CD2 4.06Å; L29-L42 HydrophobicContact CD1-CD1 3.66Å; L29-L42 HydrophobicContact CD2-CD1 4.31Å; L29-L42 HydrophobicContact CG-CD1 4.01Å; A38-L42 VanDerWaalsContact O-CB 3.28Å; A38-L42 WeakPolarHBondContact O-CB 3.32Å; A38-L42 VanDerWaalsContact O-CG 3.26Å; A38-L42 WeakPolarHBondContact O-CG 3.07Å; A38-L42 PolarHBondContact O-N 2.87Å; L42-K44 PolarHBondContact O-N 3.39Å; L42-K45 PolarHBondContact O-N 3.08Å; L42-R46 PolarHBondContact O-N 3.33Å; L42-L52 HydrophobicContact CD2-CD1 4.18Å; L42-L56 HydrophobicContact CD1-CD2 4.49Å; L42-L96 HydrophobicContact CB-CD1 4Å; L42-L96 HydrophobicContact CB-CD2 3.81Å; L42-L96 HydrophobicContact CD1-CD1 4.37Å |
| 43 | S | 97.3 | Very high | 96 | Very high | 15 Ų | 15 | 56.8 Ų | 56.8 | 11% | 0.105 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.6 | -32.4 | -179.7 | 75.8 | 0 | 0 | 0 | 0 | 112.2 | L39 L40 E41 K45 R46 N92 | L39-S43 VanDerWaalsContact O-CB 3.23Å; L39-S43 WeakPolarHBondContact O-CB 3.44Å; L39-S43 PolarHBondContact O-N 3.15Å; L39-S43 PolarHBondContact O-OG 3.34Å; L40-S43 PolarHBondContact O-OG 3.27Å; L40-S43 VanDerWaalsContact O-OG 3.07Å; E41-S43 PolarHBondContact O-N 2.98Å; S43-K45 VanDerWaalsContact C-N 3.33Å; S43-R46 WeakPolarHBondContact O-CD 3.33Å; S43-R46 WeakPolarHBondContact O-CG 3.3Å; S43-N92 PolarHBondContact OG-OD1 3.29Å |
| 44 | K | 95.9 | Very high | 96 | Very high | 122 Ų | 122 | 49 Ų | 49 | 53% | 0.53 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -70.2 | -27.9 | 173.1 | -65.7 | 167.9 | -170.6 | 166.7 | 0 | 113 | L40 E41 L42 | L40-K44 WeakPolarHBondContact O-CG 3.43Å; L40-K44 PolarHBondContact O-N 3.27Å; E41-K44 PolarHBondContact O-N 3.47Å; E41-K44 IonicContact OE1-NZ 2.88Å; E41-K44 PolarHBondContact OE1-NZ 3.4Å; E41-K44 IonicContact OE2-NZ 3.37Å; L42-K44 PolarHBondContact O-N 3.39Å |
| 45 | K | 94.3 | Very high | 96 | Very high | 47 Ų | 47 | 48 Ų | 48 | 20% | 0.204 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -89.6 | -6.4 | -175.3 | -67.5 | -74.4 | -179 | 160.6 | 0 | 114.2 | D18 W25 E41 L42 S43 E47 S48 V49 | D18-K45 VanDerWaalsContact CG-NZ 3.3Å; D18-K45 IonicContact OD1-NZ 2.73Å; D18-K45 PolarHBondContact OD1-NZ 3.02Å; D18-K45 IonicContact OD2-NZ 3.81Å; D18-K45 PolarHBondContact OD2-NZ 3.24Å; W25-K45 HydrophobicContact CZ3-CG 4.19Å; E41-K45 WeakPolarHBondContact O-CG 3.3Å; E41-K45 PolarHBondContact O-N 2.9Å; L42-K45 PolarHBondContact O-N 3.08Å; S43-K45 VanDerWaalsContact C-N 3.33Å; K45-E47 PolarHBondContact O-N 3.04Å; K45-E47 VanDerWaalsContact O-N 3.08Å; K45-S48 PolarHBondContact O-N 3.43Å; K45-S48 VanDerWaalsContact O-N 3.08Å; K45-S48 PolarHBondContact O-OG 2.99Å; K45-V49 HydrophobicContact CB-CG2 4.09Å; K45-V49 WeakPolarHBondContact O-CG2 3.43Å; K45-V49 PolarHBondContact O-N 3.2Å; K45-V49 VanDerWaalsContact O-N 3.14Å |
| 46 | R | 92.9 | Very high | 96 | Very high | 93 Ų | 93 | 47.4 Ų | 47.4 | 35% | 0.351 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -28.8 | -176.7 | 78.2 | -172.9 | -176.1 | 173.2 | -0.5 | 115.2 | L42 S43 L52 | L42-R46 PolarHBondContact O-N 3.33Å; S43-R46 WeakPolarHBondContact O-CD 3.33Å; S43-R46 WeakPolarHBondContact O-CG 3.3Å; R46-L52 HydrophobicContact CB-CD2 4.28Å |
| 47 | E | 90.1 | Very high | 96.1 | Very high | 154 Ų | 154 | 46.9 Ų | 46.9 | 72% | 0.72 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -24 | -178 | -64.9 | 175.9 | -161.6 | 0 | 0 | 112.1 | K45 | K45-E47 PolarHBondContact O-N 3.04Å; K45-E47 VanDerWaalsContact O-N 3.08Å |
| 48 | S | 90.4 | Very high | 96.1 | Very high | 74 Ų | 74 | 49.4 Ų | 49.4 | 52% | 0.517 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -13 | -177.7 | 57 | 0 | 0 | 0 | 0 | 114 | K45 P50 | K45-S48 PolarHBondContact O-N 3.43Å; K45-S48 VanDerWaalsContact O-N 3.08Å; K45-S48 PolarHBondContact O-OG 2.99Å; S48-P50 WeakPolarHBondContact O-CD 2.97Å |
| 49 | V | 92.9 | Very high | 96 | Very high | 11 Ų | 11 | 50.6 Ų | 50.6 | 7% | 0.067 | 26% | 0.256 | C | S | . | . | trans | -120.8 | 91.6 | -174.8 | -173 | 0 | 0 | 0 | 0 | 109 | I22 K45 D51 L52 | I22-V49 HydrophobicContact CD1-CB 4.32Å; I22-V49 HydrophobicContact CD1-CG1 4Å; I22-V49 HydrophobicContact CD1-CG2 3.32Å; I22-V49 HydrophobicContact CG1-CG2 4.35Å; K45-V49 HydrophobicContact CB-CG2 4.09Å; K45-V49 WeakPolarHBondContact O-CG2 3.43Å; K45-V49 PolarHBondContact O-N 3.2Å; K45-V49 VanDerWaalsContact O-N 3.14Å; V49-D51 VanDerWaalsContact C-N 3.26Å; V49-D51 WeakPolarHBondContact CG1-OD1 3.46Å; V49-D51 PolarHBondContact O-N 3.3Å; V49-L52 HydrophobicContact CB-CB 4.01Å; V49-L52 HydrophobicContact CG1-CB 3.85Å; V49-L52 VanDerWaalsContact O-CB 3.3Å; V49-L52 WeakPolarHBondContact O-CB 3.48Å; V49-L52 PolarHBondContact O-N 3.24Å | ||
| 50 | P | 91 | Very high | 96 | Very high | 109 Ų | 109 | 60.1 Ų | 60.1 | 71% | 0.708 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -32.6 | -172.8 | -25 | 34.9 | 0 | 0 | 0 | 114.2 | S48 | S48-P50 WeakPolarHBondContact O-CD 2.97Š|
| 51 | D | 94.1 | Very high | 96 | Very high | 54 Ų | 54 | 58.4 Ų | 58.4 | 29% | 0.289 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 12.8 | -177 | 58.7 | -21.9 | 0 | 0 | 0 | 113.4 | R19 V49 A53 P54 M55 | R19-D51 IonicContact CZ-OD2 3.77Å; R19-D51 IonicContact NE-OD2 2.83Å; R19-D51 IonicContact NH2-OD2 3.73Å; R19-D51 PolarHBondContact NH2-OD2 3.45Å; V49-D51 VanDerWaalsContact C-N 3.26Å; V49-D51 WeakPolarHBondContact CG1-OD1 3.46Å; V49-D51 PolarHBondContact O-N 3.3Å; D51-A53 VanDerWaalsContact C-N 3.3Å; D51-A53 PolarHBondContact O-N 3.3Å; D51-P54 WeakPolarHBondContact O-CD 3.36Å; D51-M55 HydrophobicContact CB-CE 4.31Å; D51-M55 VanDerWaalsContact O-CG 3.31Å; D51-M55 WeakPolarHBondContact O-CG 3.43Å; D51-M55 PolarHBondContact O-N 3.29Å; D51-M55 WeakPolarHBondContact OD2-CE 3.26Å |
| 52 | L | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.1 | -38.3 | 178.9 | -178.5 | 61.5 | 0 | 0 | 0 | 112.3 | I22 I26 L42 R46 V49 M55 L56 L96 | I22-L52 HydrophobicContact CG2-CD1 4Å; I26-L52 HydrophobicContact CD1-CD1 4.16Å; L42-L52 HydrophobicContact CD2-CD1 4.18Å; R46-L52 HydrophobicContact CB-CD2 4.28Å; V49-L52 HydrophobicContact CB-CB 4.01Å; V49-L52 HydrophobicContact CG1-CB 3.85Å; V49-L52 VanDerWaalsContact O-CB 3.3Å; V49-L52 WeakPolarHBondContact O-CB 3.48Å; V49-L52 PolarHBondContact O-N 3.24Å; L52-M55 WeakPolarHBondContact O-CB 3.15Å; L52-M55 PolarHBondContact O-N 3.14Å; L52-L56 HydrophobicContact CD1-CD1 4.24Å; L52-L56 HydrophobicContact CD1-CD2 4.42Å; L52-L56 HydrophobicContact CD1-CG 4.03Å; L52-L56 HydrophobicContact CD2-CD1 4.35Å; L52-L56 HydrophobicContact CG-CD1 3.82Å; L52-L56 HydrophobicContact CG-CG 4.11Å; L52-L56 WeakPolarHBondContact O-CB 3.48Å; L52-L56 VanDerWaalsContact O-CG 3.25Å; L52-L56 WeakPolarHBondContact O-CG 3.42Å; L52-L56 PolarHBondContact O-N 3.47Å; L52-L96 HydrophobicContact CD2-CD2 4.27Å |
| 53 | A | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.9 | -51.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113 | D51 M55 L56 W57 V100 H103 | D51-A53 VanDerWaalsContact C-N 3.3Å; D51-A53 PolarHBondContact O-N 3.3Å; A53-M55 VanDerWaalsContact C-N 3.31Å; A53-M55 PolarHBondContact O-N 3.38Å; A53-L56 PolarHBondContact O-N 3.32Å; A53-W57 WeakPolarHBondContact O-CB 3.45Å; A53-W57 PolarHBondContact O-N 2.83Å; A53-V100 HydrophobicContact CB-CG2 4.44Å; A53-H103 HydrophobicContact CB-CB 3.32Å |
| 54 | P | 98.3 | Very high | 96.1 | Very high | 18 Ų | 18 | 59.8 Ų | 59.8 | 12% | 0.117 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -56 | -41.8 | 170.4 | -28.3 | 34.2 | 0 | 0 | 0 | 113.4 | D51 L56 W57 H58 H103 E105 T106 | D51-P54 WeakPolarHBondContact O-CD 3.36Å; P54-L56 PolarHBondContact O-N 3.47Å; P54-W57 PolarHBondContact O-N 2.89Å; P54-H58 WeakPolarHBondContact O-CB 3.45Å; P54-H58 PolarHBondContact O-CD2 3.36Å; P54-H58 PolarHBondContact O-N 3.2Å; P54-H103 WeakPolarHBondContact CG-CE1 3.49Å; P54-E105 HydrophobicContact CG-CB 4.47Å; P54-E105 WeakPolarHBondContact CG-OE2 3.4Å; P54-T106 HydrophobicContact CG-CG2 4.47Å |
| 55 | M | 97.9 | Very high | 96.3 | Very high | 27 Ų | 27 | 54.2 Ų | 54.2 | 13% | 0.133 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59 | -46.8 | 177.5 | -68 | 174.8 | -174.2 | 0 | 0 | 111.9 | I22 Y23 I26 D51 L52 A53 S59 | I22-M55 HydrophobicContact CG2-SD 4.14Å; Y23-M55 HydrophobicContact CD1-SD 4.38Å; Y23-M55 HydrophobicContact CE1-CE 3.88Å; Y23-M55 HydrophobicContact CE1-CG 4.21Å; Y23-M55 HydrophobicContact CE1-SD 3.71Å; I26-M55 HydrophobicContact CD1-CB 3.71Å; I26-M55 HydrophobicContact CD1-SD 4.47Å; D51-M55 HydrophobicContact CB-CE 4.31Å; D51-M55 VanDerWaalsContact O-CG 3.31Å; D51-M55 WeakPolarHBondContact O-CG 3.43Å; D51-M55 PolarHBondContact O-N 3.29Å; D51-M55 WeakPolarHBondContact OD2-CE 3.26Å; L52-M55 WeakPolarHBondContact O-CB 3.15Å; L52-M55 PolarHBondContact O-N 3.14Å; A53-M55 VanDerWaalsContact C-N 3.31Å; A53-M55 PolarHBondContact O-N 3.38Å; M55-S59 VanDerWaalsContact O-CB 3.25Å; M55-S59 WeakPolarHBondContact O-CB 3.17Å; M55-S59 PolarHBondContact O-N 3.25Å; M55-S59 VanDerWaalsContact O-N 3.12Å; M55-S59 PolarHBondContact O-OG 2.95Å |
| 56 | L | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.2 | -36 | 178.6 | -69.6 | 170.2 | 0 | 0 | 0 | 112.9 | I26 L29 L42 L52 A53 P54 S59 T62 L96 V100 | I26-L56 HydrophobicContact CD1-CD2 4.33Å; I26-L56 HydrophobicContact CG1-CD2 4.01Å; L29-L56 HydrophobicContact CD1-CD2 4.19Å; L42-L56 HydrophobicContact CD1-CD2 4.49Å; L52-L56 HydrophobicContact CD1-CD1 4.24Å; L52-L56 HydrophobicContact CD1-CD2 4.42Å; L52-L56 HydrophobicContact CD1-CG 4.03Å; L52-L56 HydrophobicContact CD2-CD1 4.35Å; L52-L56 HydrophobicContact CG-CD1 3.82Å; L52-L56 HydrophobicContact CG-CG 4.11Å; L52-L56 WeakPolarHBondContact O-CB 3.48Å; L52-L56 VanDerWaalsContact O-CG 3.25Å; L52-L56 WeakPolarHBondContact O-CG 3.42Å; L52-L56 PolarHBondContact O-N 3.47Å; A53-L56 PolarHBondContact O-N 3.32Å; P54-L56 PolarHBondContact O-N 3.47Å; L56-S59 PolarHBondContact O-OG 2.91Å; L56-T62 HydrophobicContact CB-CG2 4.33Å; L56-T62 HydrophobicContact CD2-CG2 3.79Å; L56-T62 WeakPolarHBondContact O-CB 3.45Å; L56-T62 WeakPolarHBondContact O-CG2 3.36Å; L56-L96 HydrophobicContact CD1-CB 4.06Å; L56-L96 HydrophobicContact CD1-CD2 4.21Å; L56-V100 HydrophobicContact CB-CG2 4.14Å; L56-V100 HydrophobicContact CD1-CG2 4.13Å |
| 57 | W | 98.7 | Very high | 96.7 | Very high | 57 Ų | 57 | 49.2 Ų | 49.2 | 22% | 0.216 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -74.4 | -41.5 | -177.1 | -173.6 | -97.6 | 0 | 0 | 0 | 112.2 | A53 P54 I63 V100 T106 A109 F110 A113 I115 | A53-W57 WeakPolarHBondContact O-CB 3.45Å; A53-W57 PolarHBondContact O-N 2.83Å; P54-W57 PolarHBondContact O-N 2.89Å; W57-I63 HydrophobicContact CD2-CG1 4.34Å; W57-I63 HydrophobicContact CE3-CD1 3.74Å; W57-I63 HydrophobicContact CE3-CG1 3.68Å; W57-I63 HydrophobicContact CZ3-CD1 4.26Å; W57-I63 HydrophobicContact CZ3-CG1 4.09Å; W57-I63 HydrophobicContact CZ3-CG2 4.26Å; W57-V100 HydrophobicContact CD2-CG1 4.45Å; W57-V100 HydrophobicContact CE3-CG1 3.56Å; W57-V100 HydrophobicContact CZ3-CG1 4.1Å; W57-T106 HydrophobicContact CB-CG2 3.53Å; W57-T106 HydrophobicContact CD2-CG2 4.47Å; W57-T106 HydrophobicContact CG-CG2 3.78Å; W57-A109 VanDerWaalsContact CH2-C 3.42Å; W57-A109 HydrophobicContact CH2-CB 4.06Å; W57-A109 WeakPolarHBondContact CH2-O 3.37Å; W57-A109 HydrophobicContact CZ2-CB 3.28Å; W57-F110 HydrophobicContact CH2-CB 4.48Å; W57-F110 HydrophobicContact CZ3-CB 4.16Å; W57-F110 HydrophobicContact CZ3-CD2 4.35Å; W57-A113 HydrophobicContact CH2-CB 4.04Å; W57-I115 HydrophobicContact CH2-CD1 4.18Å; W57-I115 HydrophobicContact CZ3-CD1 3.77Å |
| 58 | H | 98.4 | Very high | 97.2 | Very high | 142 Ų | 142 | 46.2 Ų | 46.2 | 66% | 0.657 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -90.6 | -10.2 | -175.3 | -66.5 | -63.9 | 0 | 0 | 0 | 114.1 | P54 | P54-H58 WeakPolarHBondContact O-CB 3.45Å; P54-H58 PolarHBondContact O-CD2 3.36Å; P54-H58 PolarHBondContact O-N 3.2Å |
| 59 | S | 98.1 | Very high | 97.6 | Very high | 25 Ų | 25 | 43.1 Ų | 43.1 | 18% | 0.175 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -73.7 | 136.8 | 172.3 | 55 | 0 | 0 | 0 | 0 | 111.7 | I26 M55 L56 G61 T62 | I26-S59 VanDerWaalsContact CG2-OG 3.27Å; I26-S59 WeakPolarHBondContact CG2-OG 3.45Å; M55-S59 VanDerWaalsContact O-CB 3.25Å; M55-S59 WeakPolarHBondContact O-CB 3.17Å; M55-S59 PolarHBondContact O-N 3.25Å; M55-S59 VanDerWaalsContact O-N 3.12Å; M55-S59 PolarHBondContact O-OG 2.95Å; L56-S59 PolarHBondContact O-OG 2.91Å; S59-G61 PolarHBondContact O-N 2.85Å; S59-T62 WeakPolarHBondContact CB-OG1 3.45Å; S59-T62 PolarHBondContact O-N 2.9Å; S59-T62 WeakPolarHBondContact OG-CB 3.48Å; S59-T62 PolarHBondContact OG-OG1 2.65Å |
| 60 | F | 98.2 | Very high | 97.8 | Very high | 200 Ų | 200 | 42.6 Ų | 42.6 | 88% | 0.877 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 125.4 | -175 | -179.3 | -93.1 | 0 | 0 | 0 | 111.7 | T62 | F60-T62 PolarHBondContact O-N 2.86Å; F60-T62 VanDerWaalsContact O-N 3.11Å |
| 61 | G | 97.9 | Very high | 98.2 | Very high | 34 Ų | 34 | 40.1 Ų | 40.1 | 35% | 0.351 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | -4.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | S59 A64 A65 | S59-G61 PolarHBondContact O-N 2.85Å; G61-A64 PolarHBondContact O-N 2.92Å; G61-A65 PolarHBondContact O-N 3.38Å |
| 62 | T | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.8 | -50.1 | -174.6 | -62.4 | 0 | 0 | 0 | 0 | 112.7 | I26 L29 L56 S59 F60 A64 A65 L66 | I26-T62 HydrophobicContact CG2-CG2 4.47Å; L29-T62 HydrophobicContact CD1-CG2 3.65Å; L56-T62 HydrophobicContact CB-CG2 4.33Å; L56-T62 HydrophobicContact CD2-CG2 3.79Å; L56-T62 WeakPolarHBondContact O-CB 3.45Å; L56-T62 WeakPolarHBondContact O-CG2 3.36Å; S59-T62 WeakPolarHBondContact CB-OG1 3.45Å; S59-T62 PolarHBondContact O-N 2.9Å; S59-T62 WeakPolarHBondContact OG-CB 3.48Å; S59-T62 PolarHBondContact OG-OG1 2.65Å; F60-T62 PolarHBondContact O-N 2.86Å; F60-T62 VanDerWaalsContact O-N 3.11Å; T62-A64 VanDerWaalsContact C-N 3.27Å; T62-A64 PolarHBondContact O-N 3.06Å; T62-A65 WeakPolarHBondContact O-CB 3.39Å; T62-A65 PolarHBondContact O-N 3.21Å; T62-A65 VanDerWaalsContact O-N 3.14Å; T62-L66 WeakPolarHBondContact O-CG 3.41Å; T62-L66 PolarHBondContact O-N 3.19Å |
| 63 | I | 98.7 | Very high | 98.5 | Very high | 23 Ų | 23 | 42.6 Ų | 42.6 | 12% | 0.118 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.8 | -38 | 176.7 | -59.5 | -58.4 | 0 | 0 | 0 | 111.3 | W57 A65 L66 L67 V100 I115 | W57-I63 HydrophobicContact CD2-CG1 4.34Å; W57-I63 HydrophobicContact CE3-CD1 3.74Å; W57-I63 HydrophobicContact CE3-CG1 3.68Å; W57-I63 HydrophobicContact CZ3-CD1 4.26Å; W57-I63 HydrophobicContact CZ3-CG1 4.09Å; W57-I63 HydrophobicContact CZ3-CG2 4.26Å; I63-A65 VanDerWaalsContact C-N 3.35Å; I63-A65 PolarHBondContact O-N 3.45Å; I63-L66 HydrophobicContact CD1-CD1 4.27Å; I63-L66 PolarHBondContact O-N 3.29Å; I63-L67 HydrophobicContact CG2-CD1 4.34Å; I63-L67 WeakPolarHBondContact O-CG 3.36Å; I63-L67 PolarHBondContact O-N 2.92Å; I63-V100 HydrophobicContact CD1-CG2 4.27Å; I63-I115 HydrophobicContact CG2-CD1 3.87Å |
| 64 | A | 98.6 | Very high | 98.5 | Very high | 64 Ų | 64 | 45.8 Ų | 45.8 | 53% | 0.529 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.5 | -39.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | G61 T62 L67 Q68 | G61-A64 PolarHBondContact O-N 2.92Å; T62-A64 VanDerWaalsContact C-N 3.27Å; T62-A64 PolarHBondContact O-N 3.06Å; A64-L67 PolarHBondContact O-N 2.81Å; A64-Q68 WeakPolarHBondContact O-CB 3.38Å; A64-Q68 PolarHBondContact O-N 2.97Å |
| 65 | A | 98.7 | Very high | 98.5 | Very high | 6 Ų | 6 | 49.4 Ų | 49.4 | 5% | 0.05 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.7 | -41.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | L29 G61 T62 I63 Q68 E69 | L29-A65 WeakPolarHBondContact O-CB 3.3Å; G61-A65 PolarHBondContact O-N 3.38Å; T62-A65 WeakPolarHBondContact O-CB 3.39Å; T62-A65 PolarHBondContact O-N 3.21Å; T62-A65 VanDerWaalsContact O-N 3.14Å; I63-A65 VanDerWaalsContact C-N 3.35Å; I63-A65 PolarHBondContact O-N 3.45Å; A65-Q68 WeakPolarHBondContact O-CB 3.41Å; A65-Q68 PolarHBondContact O-N 3.43Å; A65-E69 WeakPolarHBondContact O-CG 3.43Å; A65-E69 PolarHBondContact O-N 3.5Å |
| 66 | L | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 175.2 | -61 | -178.1 | 0 | 0 | 0 | 112.1 | L29 L39 T62 I63 Q68 E69 I70 A93 L96 L97 | L29-L66 HydrophobicContact CD1-CD2 4.46Å; L39-L66 HydrophobicContact CD2-CD2 3.6Å; T62-L66 WeakPolarHBondContact O-CG 3.41Å; T62-L66 PolarHBondContact O-N 3.19Å; I63-L66 HydrophobicContact CD1-CD1 4.27Å; I63-L66 PolarHBondContact O-N 3.29Å; L66-Q68 VanDerWaalsContact C-N 3.33Å; L66-E69 WeakPolarHBondContact O-CB 3.42Å; L66-E69 PolarHBondContact O-N 3.2Å; L66-I70 PolarHBondContact O-N 3.13Å; L66-A93 HydrophobicContact CD2-CB 4Å; L66-L96 HydrophobicContact CD1-CB 4.09Å; L66-L96 HydrophobicContact CD2-CD1 4.03Å; L66-L97 HydrophobicContact CB-CD1 4.49Å; L66-L97 HydrophobicContact CB-CD2 4.09Å; L66-L97 HydrophobicContact CB-CG 4.29Å; L66-L97 HydrophobicContact CD1-CD2 3.79Å; L66-L97 HydrophobicContact CD1-CG 4.1Å |
| 67 | L | 98.8 | Very high | 98.5 | Very high | 34 Ų | 34 | 50.1 Ų | 50.1 | 18% | 0.178 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.4 | -37 | 173.9 | -70.1 | 175.8 | 0 | 0 | 0 | 111.8 | I63 A64 E69 I70 V71 I115 F118 | I63-L67 HydrophobicContact CG2-CD1 4.34Å; I63-L67 WeakPolarHBondContact O-CG 3.36Å; I63-L67 PolarHBondContact O-N 2.92Å; A64-L67 PolarHBondContact O-N 2.81Å; L67-E69 VanDerWaalsContact C-N 3.31Å; L67-E69 PolarHBondContact O-N 3.47Å; L67-I70 HydrophobicContact CD2-CD1 4.3Å; L67-I70 WeakPolarHBondContact O-CB 3.41Å; L67-I70 PolarHBondContact O-N 3.45Å; L67-I70 VanDerWaalsContact O-N 3.12Å; L67-V71 WeakPolarHBondContact O-CG2 3.36Å; L67-V71 PolarHBondContact O-N 3.34Å; L67-I115 HydrophobicContact CD2-CG1 4.34Å; L67-I115 HydrophobicContact CD2-CG2 4.02Å; L67-F118 HydrophobicContact CD2-CB 4.32Å; L67-F118 HydrophobicContact CD2-CD1 4.3Å; L67-F118 HydrophobicContact CD2-CD2 4.01Å; L67-F118 HydrophobicContact CD2-CE2 4.39Å; L67-F118 HydrophobicContact CD2-CG 3.95Å |
| 68 | Q | 98.7 | Very high | 98.2 | Very high | 91 Ų | 91 | 53.9 Ų | 53.9 | 43% | 0.425 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.9 | -39.8 | 175.3 | -166.9 | -179.9 | 38.8 | 0 | 0 | 111.6 | A64 A65 L66 I70 V71 N72 | A64-Q68 WeakPolarHBondContact O-CB 3.38Å; A64-Q68 PolarHBondContact O-N 2.97Å; A65-Q68 WeakPolarHBondContact O-CB 3.41Å; A65-Q68 PolarHBondContact O-N 3.43Å; L66-Q68 VanDerWaalsContact C-N 3.33Å; Q68-I70 VanDerWaalsContact C-N 3.26Å; Q68-I70 PolarHBondContact O-N 3.35Å; Q68-V71 PolarHBondContact O-N 2.9Å; Q68-N72 VanDerWaalsContact O-CB 3.31Å; Q68-N72 WeakPolarHBondContact O-CB 3.39Å; Q68-N72 PolarHBondContact O-N 3.01Å; Q68-N72 PolarHBondContact O-ND2 3.29Å |
| 69 | E | 98.7 | Very high | 98.2 | Very high | 8 Ų | 8 | 51 Ų | 51 | 4% | 0.037 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.2 | -34.4 | 173.9 | -67.6 | -65.3 | 125.2 | 0 | 0 | 112.6 | R35 L39 A65 L66 L67 I73 R89 A93 | R35-E69 WeakPolarHBondContact CD-OE1 3.46Å; R35-E69 IonicContact CZ-OE1 2.86Å; R35-E69 IonicContact NE-OE1 2.65Å; R35-E69 IonicContact NH1-OE1 3.85Å; R35-E69 PolarHBondContact NH1-OE1 3.4Å; L39-E69 HydrophobicContact CD1-CG 3.98Å; A65-E69 WeakPolarHBondContact O-CG 3.43Å; A65-E69 PolarHBondContact O-N 3.5Å; L66-E69 WeakPolarHBondContact O-CB 3.42Å; L66-E69 PolarHBondContact O-N 3.2Å; L67-E69 VanDerWaalsContact C-N 3.31Å; L67-E69 PolarHBondContact O-N 3.47Å; E69-I73 WeakPolarHBondContact O-CG1 3.24Å; E69-R89 IonicContact OE1-CZ 3.77Å; E69-R89 IonicContact OE1-NE 2.82Å; E69-R89 IonicContact OE1-NH2 2.81Å; E69-R89 PolarHBondContact OE1-NH2 3.36Å; E69-R89 IonicContact OE2-CZ 3.79Å; E69-R89 IonicContact OE2-NE 2.66Å; E69-R89 PolarHBondContact OE2-NE 3.45Å; E69-R89 IonicContact OE2-NH2 3.43Å; E69-R89 PolarHBondContact OE2-NH2 2.79Å; E69-A93 HydrophobicContact CB-CB 4Å; E69-A93 HydrophobicContact CG-CB 4.43Å |
| 70 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.3 | -52 | 174.4 | -70.3 | 162.8 | 0 | 0 | 0 | 111 | L66 L67 Q68 N72 I73 Y74 V90 L94 L97 F118 L119 F122 | L66-I70 PolarHBondContact O-N 3.13Å; L67-I70 HydrophobicContact CD2-CD1 4.3Å; L67-I70 WeakPolarHBondContact O-CB 3.41Å; L67-I70 PolarHBondContact O-N 3.45Å; L67-I70 VanDerWaalsContact O-N 3.12Å; Q68-I70 VanDerWaalsContact C-N 3.26Å; Q68-I70 PolarHBondContact O-N 3.35Å; I70-N72 VanDerWaalsContact C-N 3.29Å; I70-N72 PolarHBondContact O-N 2.77Å; I70-I73 WeakPolarHBondContact O-CB 3.36Å; I70-I73 PolarHBondContact O-N 3.3Å; I70-I73 VanDerWaalsContact O-N 3.07Å; I70-Y74 HydrophobicContact CG2-CE1 3.69Å; I70-V90 HydrophobicContact CG1-CG2 4.23Å; I70-L94 HydrophobicContact CD1-CD2 3.94Å; I70-L94 HydrophobicContact CG1-CD2 4.03Å; I70-L97 HydrophobicContact CD1-CD1 3.41Å; I70-L97 VanDerWaalsContact CD1-CD1 3.41Å; I70-F118 HydrophobicContact CG2-CB 4.07Å; I70-F118 WeakPolarHBondContact CG2-O 3.45Å; I70-L119 HydrophobicContact CD1-CD2 3.63Å; I70-L119 HydrophobicContact CG1-CD2 4.35Å; I70-F122 HydrophobicContact CB-CE2 4.36Å; I70-F122 HydrophobicContact CB-CZ 4.3Å; I70-F122 HydrophobicContact CG1-CE2 4.2Å; I70-F122 HydrophobicContact CG2-CE2 3.75Å; I70-F122 HydrophobicContact CG2-CZ 3.65Å |
| 71 | V | 98.7 | Very high | 98.1 | Very high | 58 Ų | 58 | 48.2 Ų | 48.2 | 35% | 0.352 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.3 | -35.9 | -174.6 | 174.5 | 0 | 0 | 0 | 0 | 111.5 | L67 Q68 I73 Y74 F118 | L67-V71 WeakPolarHBondContact O-CG2 3.36Å; L67-V71 PolarHBondContact O-N 3.34Å; Q68-V71 PolarHBondContact O-N 2.9Å; V71-I73 PolarHBondContact O-N 3.08Å; V71-I73 VanDerWaalsContact O-N 3.11Å; V71-Y74 HydrophobicContact CB-CD2 4.41Å; V71-Y74 HydrophobicContact CB-CE2 4.33Å; V71-Y74 HydrophobicContact CG1-CD2 4.16Å; V71-Y74 HydrophobicContact CG1-CE2 4.38Å; V71-Y74 HydrophobicContact CG2-CE2 3.95Å; V71-Y74 WeakPolarHBondContact O-CB 3.2Å; V71-Y74 PolarHBondContact O-N 3.09Å; V71-F118 HydrophobicContact CG2-CD1 3.93Å; V71-F118 HydrophobicContact CG2-CE1 4.03Å |
| 72 | N | 98.4 | Very high | 98.2 | Very high | 93 Ų | 93 | 47 Ų | 47 | 50% | 0.497 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -17.6 | 176.9 | -74.3 | -12.5 | 0 | 0 | 0 | 113.5 | Q68 I70 | Q68-N72 VanDerWaalsContact O-CB 3.31Å; Q68-N72 WeakPolarHBondContact O-CB 3.39Å; Q68-N72 PolarHBondContact O-N 3.01Å; Q68-N72 PolarHBondContact O-ND2 3.29Å; I70-N72 VanDerWaalsContact C-N 3.29Å; I70-N72 PolarHBondContact O-N 2.77Å |
| 73 | I | 98.7 | Very high | 98.2 | Very high | 12 Ų | 12 | 50.2 Ų | 50.2 | 6% | 0.062 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -23.2 | 176.4 | -64.8 | -61.9 | 0 | 0 | 0 | 112.4 | E69 I70 V71 P75 S76 I77 L82 Q86 V90 F122 | E69-I73 WeakPolarHBondContact O-CG1 3.24Å; I70-I73 WeakPolarHBondContact O-CB 3.36Å; I70-I73 PolarHBondContact O-N 3.3Å; I70-I73 VanDerWaalsContact O-N 3.07Å; V71-I73 PolarHBondContact O-N 3.08Å; V71-I73 VanDerWaalsContact O-N 3.11Å; I73-P75 VanDerWaalsContact C-CD 3.42Å; I73-P75 VanDerWaalsContact C-N 3.33Å; I73-S76 WeakPolarHBondContact O-CA 3.49Å; I73-S76 PolarHBondContact O-N 2.95Å; I73-I77 HydrophobicContact CG2-CD1 3.79Å; I73-I77 HydrophobicContact CG2-CG1 4.06Å; I73-I77 PolarHBondContact O-N 3.06Å; I73-L82 HydrophobicContact CD1-CD1 4.05Å; I73-L82 HydrophobicContact CG2-CD1 3.74Å; I73-Q86 HydrophobicContact CD1-CB 3.85Å; I73-Q86 HydrophobicContact CD1-CG 4.35Å; I73-V90 HydrophobicContact CD1-CB 4.33Å; I73-V90 HydrophobicContact CD1-CG1 4.42Å; I73-V90 HydrophobicContact CG1-CB 3.79Å; I73-V90 HydrophobicContact CG1-CG1 4.02Å; I73-V90 HydrophobicContact CG1-CG2 3.9Å; I73-F122 HydrophobicContact CB-CE1 4.05Å; I73-F122 HydrophobicContact CB-CZ 3.97Å; I73-F122 HydrophobicContact CG2-CE1 3.69Å; I73-F122 HydrophobicContact CG2-CZ 3.96Å |
| 74 | Y | 98.7 | Very high | 98.2 | Very high | 67 Ų | 67 | 51.9 Ų | 51.9 | 26% | 0.263 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -52.2 | -40.6 | -175.9 | -65.2 | -11.8 | 0 | 0 | 0 | 114.6 | I70 V71 S76 I77 F118 P121 F122 | I70-Y74 HydrophobicContact CG2-CE1 3.69Å; V71-Y74 HydrophobicContact CB-CD2 4.41Å; V71-Y74 HydrophobicContact CB-CE2 4.33Å; V71-Y74 HydrophobicContact CG1-CD2 4.16Å; V71-Y74 HydrophobicContact CG1-CE2 4.38Å; V71-Y74 HydrophobicContact CG2-CE2 3.95Å; V71-Y74 WeakPolarHBondContact O-CB 3.2Å; V71-Y74 PolarHBondContact O-N 3.09Å; Y74-S76 PolarHBondContact O-N 3.38Å; Y74-I77 WeakPolarHBondContact O-CB 3.39Å; Y74-I77 PolarHBondContact O-N 3.49Å; Y74-F118 VanDerWaalsContact OH-CA 3.24Å; Y74-F118 WeakPolarHBondContact OH-CA 3.24Å; Y74-F118 PolarHBondContact OH-O 3.5Å; Y74-P121 HydrophobicContact CD1-CB 4.38Å; Y74-P121 HydrophobicContact CE1-CB 4.07Å; Y74-P121 HydrophobicContact CE1-CG 4.11Å; Y74-F122 AromaticContact CD1-CE1 3.75Å; Y74-F122 HydrophobicContact CD1-CE1 3.75Å; Y74-F122 HydrophobicContact CD1-CZ 4.34Å; Y74-F122 HydrophobicContact CE1-CD1 4.36Å; Y74-F122 AromaticContact CE1-CE1 3.73Å; Y74-F122 HydrophobicContact CE1-CE1 3.73Å; Y74-F122 HydrophobicContact CE1-CZ 4.07Å |
| 75 | P | 98.5 | Very high | 98.2 | Very high | 95 Ų | 95 | 54 Ų | 54 | 62% | 0.617 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -61.6 | -25.1 | 175.7 | -24.3 | 36 | 0 | 0 | 0 | 114.4 | I73 | I73-P75 VanDerWaalsContact C-CD 3.42Å; I73-P75 VanDerWaalsContact C-N 3.33Å |
| 76 | S | 98.2 | Very high | 98.2 | Very high | 17 Ų | 17 | 56.4 Ų | 56.4 | 12% | 0.119 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -92.4 | -0.8 | 177.2 | -58.1 | 0 | 0 | 0 | 0 | 113.7 | I73 Y74 P79 T81 L82 Q86 | I73-S76 WeakPolarHBondContact O-CA 3.49Å; I73-S76 PolarHBondContact O-N 2.95Å; Y74-S76 PolarHBondContact O-N 3.38Å; S76-P79 CarbonylContact C-O 3.5Å; S76-T81 PolarHBondContact O-N 3.46Å; S76-T81 VanDerWaalsContact O-N 3.13Å; S76-L82 PolarHBondContact O-N 3.16Å; S76-Q86 PolarHBondContact OG-NE2 3.44Å |
| 77 | I | 97.6 | Very high | 98.2 | Very high | 24 Ų | 24 | 56.4 Ų | 56.4 | 12% | 0.123 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -41 | 175.8 | -64.7 | -57.5 | 0 | 0 | 0 | 111.2 | I73 Y74 P79 F122 T125 F132 L135 | I73-I77 HydrophobicContact CG2-CD1 3.79Å; I73-I77 HydrophobicContact CG2-CG1 4.06Å; I73-I77 PolarHBondContact O-N 3.06Å; Y74-I77 WeakPolarHBondContact O-CB 3.39Å; Y74-I77 PolarHBondContact O-N 3.49Å; I77-P79 CarbonylContact C-O 3.54Å; I77-F122 HydrophobicContact CD1-CD1 3.66Å; I77-F122 HydrophobicContact CD1-CE1 3.85Å; I77-F122 HydrophobicContact CG1-CD1 3.95Å; I77-F122 HydrophobicContact CG1-CE1 3.93Å; I77-T125 HydrophobicContact CD1-CG2 4.19Å; I77-T125 HydrophobicContact CG2-CG2 3.47Å; I77-T125 VanDerWaalsContact CG2-CG2 3.47Å; I77-F132 HydrophobicContact CD1-CE1 3.95Å; I77-L135 HydrophobicContact CD1-CD2 3.64Å |
| 78 | N | 93.4 | Very high | 98.1 | Very high | 137 Ų | 137 | 58.8 Ų | 58.8 | 73% | 0.733 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143.2 | 108.9 | 178.4 | -170.7 | 16.1 | 0 | 0 | 0 | 110.5 | ||
| 79 | P | 96.8 | Very high | 98.1 | Very high | 82 Ų | 82 | 57.2 Ų | 57.2 | 53% | 0.532 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -67 | 158.3 | 3 | 29.5 | -35.9 | 0 | 0 | 0 | 112.9 | S76 I77 T81 | S76-P79 CarbonylContact C-O 3.5Å; I77-P79 CarbonylContact C-O 3.54Å; P79-T81 VanDerWaalsContact C-N 3.32Å; P79-T81 HydrophobicContact CB-CG2 4.44Å; P79-T81 HydrophobicContact CG-CG2 4.18Å; P79-T81 PolarHBondContact O-N 3.02Å; P79-T81 PolarHBondContact O-OG1 3.18Å |
| 80 | P | 97.2 | Very high | 98.1 | Very high | 82 Ų | 82 | 56.9 Ų | 56.9 | 53% | 0.532 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | 76.5 | -171.2 | 32.1 | -36.6 | 0 | 0 | 0 | 112.6 | F132 | P80-F132 HydrophobicContact CB-CE1 4.44Å; P80-F132 HydrophobicContact CB-CE2 3.83Å; P80-F132 HydrophobicContact CB-CZ 3.62Å |
| 81 | T | 98.3 | Very high | 98.1 | Very high | 83 Ų | 83 | 57 Ų | 57 | 51% | 0.509 | 32% | 0.321 | S | S | . | . | trans | -108 | 9.1 | -175 | 55.9 | 0 | 0 | 0 | 0 | 113.8 | S76 P79 T83 | S76-T81 PolarHBondContact O-N 3.46Å; S76-T81 VanDerWaalsContact O-N 3.13Å; P79-T81 VanDerWaalsContact C-N 3.32Å; P79-T81 HydrophobicContact CB-CG2 4.44Å; P79-T81 HydrophobicContact CG-CG2 4.18Å; P79-T81 PolarHBondContact O-N 3.02Å; P79-T81 PolarHBondContact O-OG1 3.18Å; T81-T83 PolarHBondContact O-N 3.29Å | ||
| 82 | L | 98.6 | Very high | 98.2 | Very high | 10 Ų | 10 | 55.5 Ų | 55.5 | 5% | 0.052 | 31% | 0.311 | C | S | . | . | trans | -55.9 | 121.6 | 180 | -173.1 | 68.4 | 0 | 0 | 0 | 113 | I73 S76 Q86 P131 F132 L135 | I73-L82 HydrophobicContact CD1-CD1 4.05Å; I73-L82 HydrophobicContact CG2-CD1 3.74Å; S76-L82 PolarHBondContact O-N 3.16Å; L82-Q86 HydrophobicContact CD1-CB 3.67Å; L82-P131 HydrophobicContact CD2-CB 4.23Å; L82-P131 HydrophobicContact CG-CB 4.27Å; L82-F132 HydrophobicContact CB-CD2 4Å; L82-F132 HydrophobicContact CB-CE1 4.34Å; L82-F132 HydrophobicContact CB-CE2 3.4Å; L82-F132 VanDerWaalsContact CB-CE2 3.4Å; L82-F132 HydrophobicContact CB-CZ 3.58Å; L82-F132 HydrophobicContact CD2-CD1 4.41Å; L82-F132 HydrophobicContact CD2-CD2 4.33Å; L82-F132 HydrophobicContact CD2-CE1 4.46Å; L82-F132 HydrophobicContact CD2-CE2 4.42Å; L82-F132 HydrophobicContact CD2-CG 4.36Å; L82-F132 HydrophobicContact CD2-CZ 4.46Å; L82-L135 HydrophobicContact CD2-CB 4.32Å; L82-L135 HydrophobicContact CD2-CD2 3.74Å | ||
| 83 | T | 98.7 | Very high | 98.2 | Very high | 68 Ų | 68 | 51 Ų | 51 | 42% | 0.417 | 29% | 0.287 | S | S | . | . | trans | -84.8 | 163.1 | 176.5 | 66.1 | 0 | 0 | 0 | 0 | 112.4 | T81 H85 Q86 S87 | T81-T83 PolarHBondContact O-N 3.29Å; T83-H85 VanDerWaalsContact C-N 3.3Å; T83-H85 PolarHBondContact O-N 2.98Å; T83-Q86 PolarHBondContact O-N 3.22Å; T83-Q86 WeakPolarHBondContact OG1-CB 3.32Å; T83-Q86 VanDerWaalsContact OG1-CG 3.28Å; T83-Q86 WeakPolarHBondContact OG1-CG 3.49Å; T83-Q86 PolarHBondContact OG1-N 2.85Å; T83-Q86 PolarHBondContact OG1-OE1 3.27Å; T83-S87 WeakPolarHBondContact O-CB 3.5Å; T83-S87 PolarHBondContact O-N 2.97Å | ||
| 84 | A | 98.6 | Very high | 98.2 | Very high | 58 Ų | 58 | 50.5 Ų | 50.5 | 48% | 0.479 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.2 | -39 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S87 N88 P131 | A84-S87 PolarHBondContact O-N 3.45Å; A84-N88 WeakPolarHBondContact O-CB 3.41Å; A84-N88 PolarHBondContact O-N 3.48Å; A84-N88 PolarHBondContact O-ND2 3.48Å; A84-P131 HydrophobicContact CB-CG 4.19Å |
| 85 | H | 98.6 | Very high | 98.2 | Very high | 109 Ų | 109 | 47.7 Ų | 47.7 | 51% | 0.505 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.7 | -49.5 | 178.1 | 178.1 | 80.4 | 0 | 0 | 0 | 111.8 | E36 T83 S87 N88 R89 | E36-H85 IonicContact OE1-CE1 3.63Å; E36-H85 PolarHBondContact OE1-CE1 3.31Å; E36-H85 IonicContact OE1-ND1 3.94Å; E36-H85 IonicContact OE1-NE2 2.65Å; E36-H85 PolarHBondContact OE1-NE2 2.93Å; E36-H85 IonicContact OE2-NE2 3.84Å; T83-H85 VanDerWaalsContact C-N 3.3Å; T83-H85 PolarHBondContact O-N 2.98Å; H85-S87 VanDerWaalsContact C-N 3.34Å; H85-S87 PolarHBondContact O-N 3.17Å; H85-N88 PolarHBondContact O-N 3.47Å; H85-R89 WeakPolarHBondContact O-CB 3.3Å; H85-R89 PolarHBondContact O-N 3.43Å |
| 86 | Q | 98.6 | Very high | 98.2 | Very high | 56 Ų | 56 | 43.2 Ų | 43.2 | 26% | 0.262 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.2 | -45 | 175.4 | -74.1 | 170.6 | -55.6 | 0 | 0 | 112.1 | I73 S76 L82 T83 R89 V90 | I73-Q86 HydrophobicContact CD1-CB 3.85Å; I73-Q86 HydrophobicContact CD1-CG 4.35Å; S76-Q86 PolarHBondContact OG-NE2 3.44Å; L82-Q86 HydrophobicContact CD1-CB 3.67Å; T83-Q86 PolarHBondContact O-N 3.22Å; T83-Q86 WeakPolarHBondContact OG1-CB 3.32Å; T83-Q86 VanDerWaalsContact OG1-CG 3.28Å; T83-Q86 WeakPolarHBondContact OG1-CG 3.49Å; T83-Q86 PolarHBondContact OG1-N 2.85Å; T83-Q86 PolarHBondContact OG1-OE1 3.27Å; Q86-R89 PolarHBondContact O-N 3.42Å; Q86-V90 WeakPolarHBondContact O-CG1 3.43Å; Q86-V90 PolarHBondContact O-N 3.4Å |
| 87 | S | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.8 | -47.1 | 177.3 | 177.2 | 0 | 0 | 0 | 0 | 112 | T83 A84 H85 R89 V90 C91 P131 | T83-S87 WeakPolarHBondContact O-CB 3.5Å; T83-S87 PolarHBondContact O-N 2.97Å; A84-S87 PolarHBondContact O-N 3.45Å; H85-S87 VanDerWaalsContact C-N 3.34Å; H85-S87 PolarHBondContact O-N 3.17Å; S87-R89 PolarHBondContact O-N 2.85Å; S87-V90 WeakPolarHBondContact O-CG1 3.42Å; S87-C91 WeakPolarHBondContact O-CB 3.46Å; S87-C91 PolarHBondContact O-N 3.41Å; S87-C91 PolarHBondContact O-SG 2.85Å; S87-P131 PolarHBondContact OG-O 3.1Å |
| 88 | N | 98.6 | Very high | 98.3 | Very high | 85 Ų | 85 | 43.7 Ų | 43.7 | 46% | 0.455 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.8 | -44.3 | 177.9 | -71.8 | -18.5 | 0 | 0 | 0 | 112 | A84 H85 C91 N92 | A84-N88 WeakPolarHBondContact O-CB 3.41Å; A84-N88 PolarHBondContact O-N 3.48Å; A84-N88 PolarHBondContact O-ND2 3.48Å; H85-N88 PolarHBondContact O-N 3.47Å; N88-C91 PolarHBondContact O-N 3.15Å; N88-N92 PolarHBondContact O-N 3.47Å; N88-N92 VanDerWaalsContact O-N 3.1Å; N88-N92 PolarHBondContact O-ND2 2.79Å |
| 89 | R | 98.7 | Very high | 98.5 | Very high | 58 Ų | 58 | 37.9 Ų | 37.9 | 22% | 0.219 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.7 | -51.6 | 179.7 | 177.9 | 174.1 | 166.9 | 157.3 | -4.7 | 111.9 | E36 L39 E69 H85 Q86 S87 C91 N92 A93 | E36-R89 HydrophobicContact CG-CG 4.25Å; E36-R89 IonicContact OE2-CZ 3.65Å; E36-R89 IonicContact OE2-NH1 3.92Å; E36-R89 PolarHBondContact OE2-NH1 3.3Å; L39-R89 HydrophobicContact CD1-CG 4.22Å; E69-R89 IonicContact OE1-CZ 3.77Å; E69-R89 IonicContact OE1-NE 2.82Å; E69-R89 IonicContact OE1-NH2 2.81Å; E69-R89 PolarHBondContact OE1-NH2 3.36Å; E69-R89 IonicContact OE2-CZ 3.79Å; E69-R89 IonicContact OE2-NE 2.66Å; E69-R89 PolarHBondContact OE2-NE 3.45Å; E69-R89 IonicContact OE2-NH2 3.43Å; E69-R89 PolarHBondContact OE2-NH2 2.79Å; H85-R89 WeakPolarHBondContact O-CB 3.3Å; H85-R89 PolarHBondContact O-N 3.43Å; Q86-R89 PolarHBondContact O-N 3.42Å; S87-R89 PolarHBondContact O-N 2.85Å; R89-C91 VanDerWaalsContact C-N 3.31Å; R89-C91 PolarHBondContact O-N 3.34Å; R89-N92 WeakPolarHBondContact O-CB 3.49Å; R89-N92 PolarHBondContact O-N 2.66Å; R89-A93 PolarHBondContact O-N 3.25Å |
| 90 | V | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.3 | -33.3 | 178.6 | 72 | 0 | 0 | 0 | 0 | 111.8 | I70 I73 Q86 S87 N92 A93 L94 F122 L135 | I70-V90 HydrophobicContact CG1-CG2 4.23Å; I73-V90 HydrophobicContact CD1-CB 4.33Å; I73-V90 HydrophobicContact CD1-CG1 4.42Å; I73-V90 HydrophobicContact CG1-CB 3.79Å; I73-V90 HydrophobicContact CG1-CG1 4.02Å; I73-V90 HydrophobicContact CG1-CG2 3.9Å; Q86-V90 WeakPolarHBondContact O-CG1 3.43Å; Q86-V90 PolarHBondContact O-N 3.4Å; S87-V90 WeakPolarHBondContact O-CG1 3.42Å; V90-N92 VanDerWaalsContact C-N 3.27Å; V90-N92 PolarHBondContact O-N 3.33Å; V90-A93 WeakPolarHBondContact O-CA 3.4Å; V90-A93 WeakPolarHBondContact O-CB 3.45Å; V90-A93 PolarHBondContact O-N 3.03Å; V90-L94 WeakPolarHBondContact O-CG 3.3Å; V90-L94 PolarHBondContact O-N 3.46Å; V90-F122 HydrophobicContact CG2-CE2 4.25Å; V90-F122 HydrophobicContact CG2-CZ 4.31Å; V90-L135 HydrophobicContact CG1-CD1 3.54Å |
| 91 | C | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.007 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.8 | -30.7 | 175.1 | -77.1 | 0 | 0 | 0 | 0 | 112.9 | S87 N88 R89 L94 A95 Y134 T138 | S87-C91 WeakPolarHBondContact O-CB 3.46Å; S87-C91 PolarHBondContact O-N 3.41Å; S87-C91 PolarHBondContact O-SG 2.85Å; N88-C91 PolarHBondContact O-N 3.15Å; R89-C91 VanDerWaalsContact C-N 3.31Å; R89-C91 PolarHBondContact O-N 3.34Å; C91-L94 PolarHBondContact O-N 3.32Å; C91-A95 WeakPolarHBondContact O-CB 3.34Å; C91-A95 PolarHBondContact O-N 3.41Å; C91-Y134 HydrophobicContact CB-CD1 4.1Å; C91-Y134 HydrophobicContact CB-CE1 3.43Å; C91-Y134 VanDerWaalsContact CB-CE1 3.43Å; C91-Y134 VanDerWaalsContact SG-CD1 3.57Å; C91-Y134 VanDerWaalsContact SG-CE1 3.55Å; C91-T138 HydrophobicContact CB-CG2 4.14Å; C91-T138 PolarHBondContact SG-OG1 3.04Å; C91-T138 VanDerWaalsContact SG-OG1 3.37Å |
| 92 | N | 98.8 | Very high | 98.6 | Very high | 27 Ų | 27 | 29 Ų | 29 | 14% | 0.144 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.6 | -43.4 | 169.9 | -72.1 | -35.8 | 0 | 0 | 0 | 111.3 | L39 S43 N88 R89 V90 A95 L96 | L39-N92 HydrophobicContact CB-CB 3.93Å; S43-N92 PolarHBondContact OG-OD1 3.29Å; N88-N92 PolarHBondContact O-N 3.47Å; N88-N92 VanDerWaalsContact O-N 3.1Å; N88-N92 PolarHBondContact O-ND2 2.79Å; R89-N92 WeakPolarHBondContact O-CB 3.49Å; R89-N92 PolarHBondContact O-N 2.66Å; V90-N92 VanDerWaalsContact C-N 3.27Å; V90-N92 PolarHBondContact O-N 3.33Å; N92-A95 WeakPolarHBondContact O-CB 3.44Å; N92-A95 PolarHBondContact O-N 3.17Å; N92-L96 WeakPolarHBondContact O-CG 3.43Å; N92-L96 PolarHBondContact O-N 3.49Å; N92-L96 VanDerWaalsContact O-N 3.17Å |
| 93 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.9 | -43.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L39 L66 E69 R89 V90 A95 L96 L97 | L39-A93 HydrophobicContact CD1-CB 4.49Å; L39-A93 HydrophobicContact CD2-CB 3.81Å; L66-A93 HydrophobicContact CD2-CB 4Å; E69-A93 HydrophobicContact CB-CB 4Å; E69-A93 HydrophobicContact CG-CB 4.43Å; R89-A93 PolarHBondContact O-N 3.25Å; V90-A93 WeakPolarHBondContact O-CA 3.4Å; V90-A93 WeakPolarHBondContact O-CB 3.45Å; V90-A93 PolarHBondContact O-N 3.03Å; A93-A95 VanDerWaalsContact C-N 3.3Å; A93-A95 PolarHBondContact O-N 3.42Å; A93-L96 PolarHBondContact O-N 2.99Å; A93-L96 VanDerWaalsContact O-N 3.17Å; A93-L97 PolarHBondContact O-N 2.81Å |
| 94 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.4 | -36.5 | 174.7 | -65.4 | 177.8 | 0 | 0 | 0 | 112.3 | I70 V90 C91 L96 L97 Q98 L119 F122 L135 T138 V142 | I70-L94 HydrophobicContact CD1-CD2 3.94Å; I70-L94 HydrophobicContact CG1-CD2 4.03Å; V90-L94 WeakPolarHBondContact O-CG 3.3Å; V90-L94 PolarHBondContact O-N 3.46Å; C91-L94 PolarHBondContact O-N 3.32Å; L94-L96 VanDerWaalsContact C-N 3.32Å; L94-L96 PolarHBondContact O-N 3.33Å; L94-L97 HydrophobicContact CD2-CD1 4.41Å; L94-L97 PolarHBondContact O-N 3.29Å; L94-Q98 WeakPolarHBondContact O-CB 2.91Å; L94-Q98 PolarHBondContact O-N 2.93Å; L94-L119 HydrophobicContact CD2-CD1 4.47Å; L94-L119 HydrophobicContact CD2-CD2 3.33Å; L94-F122 HydrophobicContact CD1-CD2 4.38Å; L94-F122 HydrophobicContact CD1-CE2 4.41Å; L94-F122 HydrophobicContact CD2-CE2 4.46Å; L94-L135 HydrophobicContact CD1-CD1 3.94Å; L94-T138 HydrophobicContact CB-CG2 3.58Å; L94-T138 HydrophobicContact CD1-CG2 4.16Å; L94-V142 HydrophobicContact CB-CG2 4.43Å; L94-V142 WeakPolarHBondContact O-CG2 3.17Å |
| 95 | A | 98.6 | Very high | 98.5 | Very high | 9 Ų | 9 | 35 Ų | 35 | 7% | 0.074 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.5 | -35.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | C91 N92 A93 Q98 C99 | C91-A95 WeakPolarHBondContact O-CB 3.34Å; C91-A95 PolarHBondContact O-N 3.41Å; N92-A95 WeakPolarHBondContact O-CB 3.44Å; N92-A95 PolarHBondContact O-N 3.17Å; A93-A95 VanDerWaalsContact C-N 3.3Å; A93-A95 PolarHBondContact O-N 3.42Å; A95-Q98 WeakPolarHBondContact O-CB 3.26Å; A95-Q98 PolarHBondContact O-N 3.44Å; A95-C99 PolarHBondContact O-N 3.47Å; A95-C99 VanDerWaalsContact O-N 3.15Å |
| 96 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69.9 | -41.9 | 172.7 | -61.9 | 179.8 | 0 | 0 | 0 | 111.4 | L39 L42 L52 L56 L66 N92 A93 L94 Q98 C99 V100 | L39-L96 HydrophobicContact CD2-CD1 3.91Å; L42-L96 HydrophobicContact CB-CD1 4Å; L42-L96 HydrophobicContact CB-CD2 3.81Å; L42-L96 HydrophobicContact CD1-CD1 4.37Å; L52-L96 HydrophobicContact CD2-CD2 4.27Å; L56-L96 HydrophobicContact CD1-CB 4.06Å; L56-L96 HydrophobicContact CD1-CD2 4.21Å; L66-L96 HydrophobicContact CD1-CB 4.09Å; L66-L96 HydrophobicContact CD2-CD1 4.03Å; N92-L96 WeakPolarHBondContact O-CG 3.43Å; N92-L96 PolarHBondContact O-N 3.49Å; N92-L96 VanDerWaalsContact O-N 3.17Å; A93-L96 PolarHBondContact O-N 2.99Å; A93-L96 VanDerWaalsContact O-N 3.17Å; L94-L96 VanDerWaalsContact C-N 3.32Å; L94-L96 PolarHBondContact O-N 3.33Å; L96-Q98 VanDerWaalsContact C-N 3.26Å; L96-Q98 PolarHBondContact O-N 3.29Å; L96-C99 WeakPolarHBondContact O-CA 3.36Å; L96-C99 VanDerWaalsContact O-CB 3.23Å; L96-C99 WeakPolarHBondContact O-CB 3.34Å; L96-C99 PolarHBondContact O-N 3.35Å; L96-V100 WeakPolarHBondContact O-CG2 3.34Å; L96-V100 PolarHBondContact O-N 3.09Å |
| 97 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.9 | -33.7 | 173.2 | -68.1 | 173.2 | 0 | 0 | 0 | 112.2 | L66 I70 A93 L94 C99 V100 A101 F110 I115 | L66-L97 HydrophobicContact CB-CD1 4.49Å; L66-L97 HydrophobicContact CB-CD2 4.09Å; L66-L97 HydrophobicContact CB-CG 4.29Å; L66-L97 HydrophobicContact CD1-CD2 3.79Å; L66-L97 HydrophobicContact CD1-CG 4.1Å; I70-L97 HydrophobicContact CD1-CD1 3.41Å; I70-L97 VanDerWaalsContact CD1-CD1 3.41Å; A93-L97 PolarHBondContact O-N 2.81Å; L94-L97 HydrophobicContact CD2-CD1 4.41Å; L94-L97 PolarHBondContact O-N 3.29Å; L97-C99 VanDerWaalsContact C-N 3.32Å; L97-V100 PolarHBondContact O-N 2.86Å; L97-A101 WeakPolarHBondContact O-CB 3.17Å; L97-A101 PolarHBondContact O-N 3.12Å; L97-F110 HydrophobicContact CB-CE2 4Å; L97-F110 HydrophobicContact CB-CZ 4.36Å; L97-F110 HydrophobicContact CD2-CE2 3.9Å; L97-F110 HydrophobicContact CG-CE2 4.49Å; L97-I115 HydrophobicContact CD1-CG2 4.36Å; L97-I115 HydrophobicContact CD2-CG2 4.35Å |
| 98 | Q | 98.6 | Very high | 98.4 | Very high | 51 Ų | 51 | 30.7 Ų | 30.7 | 24% | 0.238 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.4 | -40 | 171.6 | -172.5 | -178.7 | 6.9 | 0 | 0 | 111.5 | L94 A95 L96 A101 S102 G141 V142 A145 | L94-Q98 WeakPolarHBondContact O-CB 2.91Å; L94-Q98 PolarHBondContact O-N 2.93Å; A95-Q98 WeakPolarHBondContact O-CB 3.26Å; A95-Q98 PolarHBondContact O-N 3.44Å; L96-Q98 VanDerWaalsContact C-N 3.26Å; L96-Q98 PolarHBondContact O-N 3.29Å; Q98-A101 PolarHBondContact O-N 3.28Å; Q98-S102 WeakPolarHBondContact O-CB 3.44Å; Q98-S102 PolarHBondContact O-N 2.83Å; Q98-S102 PolarHBondContact O-OG 3.18Å; Q98-G141 PolarHBondContact NE2-O 3.21Å; Q98-V142 HydrophobicContact CB-CG2 4Å; Q98-A145 HydrophobicContact CG-CB 3.83Å |
| 99 | C | 97.9 | Very high | 98.4 | Very high | 15 Ų | 15 | 28.3 Ų | 28.3 | 10% | 0.101 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.2 | -49.8 | 174.4 | -175.8 | 0 | 0 | 0 | 0 | 110.5 | A95 L96 L97 A101 S102 H103 | A95-C99 PolarHBondContact O-N 3.47Å; A95-C99 VanDerWaalsContact O-N 3.15Å; L96-C99 WeakPolarHBondContact O-CA 3.36Å; L96-C99 VanDerWaalsContact O-CB 3.23Å; L96-C99 WeakPolarHBondContact O-CB 3.34Å; L96-C99 PolarHBondContact O-N 3.35Å; L97-C99 VanDerWaalsContact C-N 3.32Å; C99-A101 PolarHBondContact O-N 2.93Å; C99-S102 PolarHBondContact O-N 3.23Å; C99-S102 VanDerWaalsContact O-N 3.1Å; C99-S102 PolarHBondContact O-OG 2.77Å; C99-H103 PolarHBondContact O-N 2.73Å |
| 100 | V | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60 | -43.7 | 177.2 | 179.8 | 0 | 0 | 0 | 0 | 112.1 | A53 L56 W57 I63 L96 L97 S102 H103 T106 F110 | A53-V100 HydrophobicContact CB-CG2 4.44Å; L56-V100 HydrophobicContact CB-CG2 4.14Å; L56-V100 HydrophobicContact CD1-CG2 4.13Å; W57-V100 HydrophobicContact CD2-CG1 4.45Å; W57-V100 HydrophobicContact CE3-CG1 3.56Å; W57-V100 HydrophobicContact CZ3-CG1 4.1Å; I63-V100 HydrophobicContact CD1-CG2 4.27Å; L96-V100 WeakPolarHBondContact O-CG2 3.34Å; L96-V100 PolarHBondContact O-N 3.09Å; L97-V100 PolarHBondContact O-N 2.86Å; V100-S102 VanDerWaalsContact C-N 3.26Å; V100-S102 PolarHBondContact O-N 3.43Å; V100-H103 PolarHBondContact O-N 3.09Å; V100-T106 PolarHBondContact O-OG1 2.98Å; V100-F110 HydrophobicContact CB-CD2 4.13Å; V100-F110 HydrophobicContact CG1-CB 4.29Å; V100-F110 HydrophobicContact CG1-CD2 3.65Å; V100-F110 HydrophobicContact CG1-CE2 4.46Å; V100-F110 HydrophobicContact CG1-CG 4.4Å |
| 101 | A | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65 | -29.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L97 Q98 C99 R107 F110 V142 A145 L146 | L97-A101 WeakPolarHBondContact O-CB 3.17Å; L97-A101 PolarHBondContact O-N 3.12Å; Q98-A101 PolarHBondContact O-N 3.28Å; C99-A101 PolarHBondContact O-N 2.93Å; A101-R107 WeakPolarHBondContact O-CG 3.46Å; A101-R107 PolarHBondContact O-NE 3.25Å; A101-F110 HydrophobicContact CB-CD1 4.16Å; A101-F110 HydrophobicContact CB-CE1 3.97Å; A101-F110 HydrophobicContact CB-CE2 4.36Å; A101-F110 HydrophobicContact CB-CG 4.45Å; A101-F110 HydrophobicContact CB-CZ 4.07Å; A101-V142 HydrophobicContact CB-CG1 4.18Å; A101-A145 HydrophobicContact CB-CB 4.47Å; A101-L146 HydrophobicContact CB-CD2 3.75Å; A101-L146 HydrophobicContact CB-CG 3.97Å |
| 102 | S | 97.5 | Very high | 98.4 | Very high | 60 Ų | 60 | 29.4 Ų | 29.4 | 42% | 0.42 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -82.3 | -21.7 | -177.8 | 72.2 | 0 | 0 | 0 | 0 | 113.9 | Q98 C99 V100 R107 | Q98-S102 WeakPolarHBondContact O-CB 3.44Å; Q98-S102 PolarHBondContact O-N 2.83Å; Q98-S102 PolarHBondContact O-OG 3.18Å; C99-S102 PolarHBondContact O-N 3.23Å; C99-S102 VanDerWaalsContact O-N 3.1Å; C99-S102 PolarHBondContact O-OG 2.77Å; V100-S102 VanDerWaalsContact C-N 3.26Å; V100-S102 PolarHBondContact O-N 3.43Å; S102-R107 PolarHBondContact O-NH2 3.25Å |
| 103 | H | 98.1 | Very high | 98.4 | Very high | 35 Ų | 35 | 30.5 Ų | 30.5 | 16% | 0.162 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -87.9 | 133.2 | -172.8 | -168.9 | -83.7 | 0 | 0 | 0 | 112.2 | A53 P54 C99 V100 E105 T106 R107 | A53-H103 HydrophobicContact CB-CB 3.32Å; P54-H103 WeakPolarHBondContact CG-CE1 3.49Å; C99-H103 PolarHBondContact O-N 2.73Å; V100-H103 PolarHBondContact O-N 3.09Å; H103-E105 VanDerWaalsContact C-N 3.32Å; H103-E105 IonicContact CE1-OE1 3.86Å; H103-E105 IonicContact CE1-OE2 2.74Å; H103-E105 PolarHBondContact ND1-N 3.27Å; H103-E105 PolarHBondContact O-N 3.09Å; H103-T106 PolarHBondContact O-N 2.64Å; H103-T106 PolarHBondContact O-OG1 3.39Å; H103-R107 WeakPolarHBondContact O-CB 3.36Å; H103-R107 PolarHBondContact O-N 3.23Å |
| 104 | P | 97.5 | Very high | 98.3 | Very high | 90 Ų | 90 | 35 Ų | 35 | 58% | 0.584 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -61.4 | -34.9 | -173.7 | 23.9 | -34.1 | 0 | 0 | 0 | 114.2 | T106 | P104-T106 VanDerWaalsContact C-N 3.34Å; P104-T106 PolarHBondContact O-N 3.08Å |
| 105 | E | 98.1 | Very high | 98.3 | Very high | 139 Ų | 139 | 35.1 Ų | 35.1 | 65% | 0.65 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -72.3 | -26.1 | -178.9 | -63.7 | 176 | -164.7 | 0 | 0 | 113.7 | P54 H103 | P54-E105 HydrophobicContact CG-CB 4.47Å; P54-E105 WeakPolarHBondContact CG-OE2 3.4Å; H103-E105 VanDerWaalsContact C-N 3.32Å; H103-E105 IonicContact CE1-OE1 3.86Å; H103-E105 IonicContact CE1-OE2 2.74Å; H103-E105 PolarHBondContact ND1-N 3.27Å; H103-E105 PolarHBondContact O-N 3.09Å |
| 106 | T | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -109.4 | -15.4 | -172.3 | 52.8 | 0 | 0 | 0 | 0 | 113.3 | P54 W57 V100 H103 P104 A109 F110 | P54-T106 HydrophobicContact CG-CG2 4.47Å; W57-T106 HydrophobicContact CB-CG2 3.53Å; W57-T106 HydrophobicContact CD2-CG2 4.47Å; W57-T106 HydrophobicContact CG-CG2 3.78Å; V100-T106 PolarHBondContact O-OG1 2.98Å; H103-T106 PolarHBondContact O-N 2.64Å; H103-T106 PolarHBondContact O-OG1 3.39Å; P104-T106 VanDerWaalsContact C-N 3.34Å; P104-T106 PolarHBondContact O-N 3.08Å; T106-A109 PolarHBondContact O-N 3.1Å; T106-F110 WeakPolarHBondContact O-CB 3.38Å; T106-F110 PolarHBondContact O-N 2.94Å |
| 107 | R | 98.3 | Very high | 98.3 | Very high | 16 Ų | 16 | 37.8 Ų | 37.8 | 6% | 0.06 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.2 | -51.8 | -174.2 | -175.5 | -178.2 | -48.8 | 104.7 | 10.6 | 113.6 | A101 S102 H103 A109 F110 L111 L146 E151 | A101-R107 WeakPolarHBondContact O-CG 3.46Å; A101-R107 PolarHBondContact O-NE 3.25Å; S102-R107 PolarHBondContact O-NH2 3.25Å; H103-R107 WeakPolarHBondContact O-CB 3.36Å; H103-R107 PolarHBondContact O-N 3.23Å; R107-A109 VanDerWaalsContact C-N 3.26Å; R107-A109 PolarHBondContact O-N 3.12Å; R107-F110 WeakPolarHBondContact O-CB 3.26Å; R107-F110 PolarHBondContact O-N 3.08Å; R107-L111 PolarHBondContact O-N 2.81Å; R107-L146 HydrophobicContact CG-CD2 3.91Å; R107-E151 WeakPolarHBondContact CD-OE1 3.49Å; R107-E151 IonicContact CZ-OE1 2.94Å; R107-E151 IonicContact NE-OE1 3.85Å; R107-E151 IonicContact NH1-OE1 3.33Å; R107-E151 PolarHBondContact NH1-OE1 3.07Å |
| 108 | S | 97.9 | Very high | 98.3 | Very high | 57 Ų | 57 | 41.2 Ų | 41.2 | 40% | 0.399 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.1 | -36 | -178.9 | -55.5 | 0 | 0 | 0 | 0 | 111.2 | L111 A112 E153 | S108-L111 PolarHBondContact O-N 2.73Å; S108-A112 VanDerWaalsContact O-CB 3.3Å; S108-A112 WeakPolarHBondContact O-CB 3.33Å; S108-A112 PolarHBondContact O-N 3.44Å; S108-E153 WeakPolarHBondContact CB-OE1 3.26Å; S108-E153 PolarHBondContact OG-OE1 3.29Å |
| 109 | A | 98.6 | Very high | 98.3 | Very high | 35 Ų | 35 | 38.8 Ų | 38.8 | 29% | 0.289 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -69 | -39.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | W57 T106 R107 L111 A112 A113 | W57-A109 VanDerWaalsContact CH2-C 3.42Å; W57-A109 HydrophobicContact CH2-CB 4.06Å; W57-A109 WeakPolarHBondContact CH2-O 3.37Å; W57-A109 HydrophobicContact CZ2-CB 3.28Å; T106-A109 PolarHBondContact O-N 3.1Å; R107-A109 VanDerWaalsContact C-N 3.26Å; R107-A109 PolarHBondContact O-N 3.12Å; A109-L111 VanDerWaalsContact C-N 3.33Å; A109-L111 PolarHBondContact O-N 3.49Å; A109-A112 PolarHBondContact O-N 3.46Å; A109-A113 WeakPolarHBondContact O-CB 3.35Å; A109-A113 PolarHBondContact O-N 2.96Å |
| 110 | F | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60 | -42.1 | 173 | -178 | -83.2 | 0 | 0 | 0 | 111.9 | W57 L97 V100 A101 T106 R107 I115 P116 V142 L146 | W57-F110 HydrophobicContact CH2-CB 4.48Å; W57-F110 HydrophobicContact CZ3-CB 4.16Å; W57-F110 HydrophobicContact CZ3-CD2 4.35Å; L97-F110 HydrophobicContact CB-CE2 4Å; L97-F110 HydrophobicContact CB-CZ 4.36Å; L97-F110 HydrophobicContact CD2-CE2 3.9Å; L97-F110 HydrophobicContact CG-CE2 4.49Å; V100-F110 HydrophobicContact CB-CD2 4.13Å; V100-F110 HydrophobicContact CG1-CB 4.29Å; V100-F110 HydrophobicContact CG1-CD2 3.65Å; V100-F110 HydrophobicContact CG1-CE2 4.46Å; V100-F110 HydrophobicContact CG1-CG 4.4Å; A101-F110 HydrophobicContact CB-CD1 4.16Å; A101-F110 HydrophobicContact CB-CE1 3.97Å; A101-F110 HydrophobicContact CB-CE2 4.36Å; A101-F110 HydrophobicContact CB-CG 4.45Å; A101-F110 HydrophobicContact CB-CZ 4.07Å; T106-F110 WeakPolarHBondContact O-CB 3.38Å; T106-F110 PolarHBondContact O-N 2.94Å; R107-F110 WeakPolarHBondContact O-CB 3.26Å; R107-F110 PolarHBondContact O-N 3.08Å; F110-I115 HydrophobicContact CD1-CB 4.3Å; F110-I115 HydrophobicContact CD2-CB 4.25Å; F110-I115 HydrophobicContact CD2-CD1 3.53Å; F110-I115 HydrophobicContact CD2-CG1 4.46Å; F110-I115 HydrophobicContact CD2-CG2 4.29Å; F110-I115 HydrophobicContact CE1-CB 3.96Å; F110-I115 HydrophobicContact CE1-CG2 4.02Å; F110-I115 HydrophobicContact CE2-CB 3.93Å; F110-I115 HydrophobicContact CE2-CD1 3.81Å; F110-I115 HydrophobicContact CE2-CG1 4.48Å; F110-I115 HydrophobicContact CE2-CG2 3.52Å; F110-I115 HydrophobicContact CG-CB 4.43Å; F110-I115 HydrophobicContact CG-CD1 4.07Å; F110-I115 HydrophobicContact CZ-CB 3.77Å; F110-I115 HydrophobicContact CZ-CG2 3.34Å; F110-P116 HydrophobicContact CD1-CG 4.46Å; F110-P116 HydrophobicContact CE1-CG 3.9Å; F110-V142 HydrophobicContact CE1-CG1 4.22Å; F110-V142 HydrophobicContact CZ-CG1 3.76Å; F110-L146 HydrophobicContact CD1-CD1 4.41Å; F110-L146 HydrophobicContact CD1-CD2 4.02Å; F110-L146 HydrophobicContact CE1-CD1 4.1Å; F110-L146 HydrophobicContact CE1-CD2 4.34Å |
| 111 | L | 98.1 | Very high | 98.4 | Very high | 12 Ų | 12 | 41.3 Ų | 41.3 | 6% | 0.063 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.1 | -46.2 | 177 | -164.7 | 69.6 | 0 | 0 | 0 | 111.4 | R107 S108 A109 A113 H114 L146 E153 V154 F157 | R107-L111 PolarHBondContact O-N 2.81Å; S108-L111 PolarHBondContact O-N 2.73Å; A109-L111 VanDerWaalsContact C-N 3.33Å; A109-L111 PolarHBondContact O-N 3.49Å; L111-A113 PolarHBondContact O-N 3.29Å; L111-H114 WeakPolarHBondContact O-CA 3.35Å; L111-H114 PolarHBondContact O-N 3.4Å; L111-L146 HydrophobicContact CD1-CD1 4.47Å; L111-E153 HydrophobicContact CD2-CB 4.36Å; L111-E153 HydrophobicContact CD2-CG 4.04Å; L111-V154 HydrophobicContact CD2-CG2 4.05Å; L111-F157 HydrophobicContact CD1-CB 3.9Å; L111-F157 HydrophobicContact CD1-CD1 3.56Å; L111-F157 HydrophobicContact CD1-CD2 3.85Å; L111-F157 HydrophobicContact CD1-CE1 4.02Å; L111-F157 HydrophobicContact CD1-CE2 4.23Å; L111-F157 HydrophobicContact CD1-CG 3.49Å; L111-F157 VanDerWaalsContact CD1-CG 3.49Å; L111-F157 HydrophobicContact CD1-CZ 4.33Å; L111-F157 HydrophobicContact CD2-CB 4.1Å; L111-F157 HydrophobicContact CD2-CG 4.45Å; L111-F157 HydrophobicContact CG-CB 4.19Å; L111-F157 HydrophobicContact CG-CD2 3.99Å; L111-F157 HydrophobicContact CG-CG 4Å |
| 112 | A | 98.4 | Very high | 98.4 | Very high | 71 Ų | 71 | 41.3 Ų | 41.3 | 59% | 0.587 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -60.8 | -32.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S108 A109 H114 | S108-A112 VanDerWaalsContact O-CB 3.3Å; S108-A112 WeakPolarHBondContact O-CB 3.33Å; S108-A112 PolarHBondContact O-N 3.44Å; A109-A112 PolarHBondContact O-N 3.46Å; A112-H114 PolarHBondContact O-CE1 3.16Å; A112-H114 PolarHBondContact O-N 3.37Å; A112-H114 PolarHBondContact O-ND1 2.9Å |
| 113 | A | 98.6 | Very high | 98.5 | Very high | 50 Ų | 50 | 38.4 Ų | 38.4 | 41% | 0.413 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | 0.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | W57 A109 L111 I115 | W57-A113 HydrophobicContact CH2-CB 4.04Å; A109-A113 WeakPolarHBondContact O-CB 3.35Å; A109-A113 PolarHBondContact O-N 2.96Å; L111-A113 PolarHBondContact O-N 3.29Å; A113-I115 HydrophobicContact CB-CD1 4.08Å; A113-I115 HydrophobicContact CB-CG1 3.91Å; A113-I115 PolarHBondContact O-N 3.27Å; A113-I115 VanDerWaalsContact O-N 3.07Å |
| 114 | H | 98.6 | Very high | 98.4 | Very high | 96 Ų | 96 | 41.2 Ų | 41.2 | 44% | 0.444 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 25.8 | 179.9 | -62.7 | 80.9 | 0 | 0 | 0 | 114.2 | L111 A112 P116 L117 F157 | L111-H114 WeakPolarHBondContact O-CA 3.35Å; L111-H114 PolarHBondContact O-N 3.4Å; A112-H114 PolarHBondContact O-CE1 3.16Å; A112-H114 PolarHBondContact O-N 3.37Å; A112-H114 PolarHBondContact O-ND1 2.9Å; H114-P116 VanDerWaalsContact C-N 3.32Å; H114-L117 HydrophobicContact CB-CD1 3.97Å; H114-L117 HydrophobicContact CB-CG 4.31Å; H114-L117 WeakPolarHBondContact O-CB 3.46Å; H114-L117 PolarHBondContact O-N 2.88Å; H114-F157 HydrophobicContact CB-CE2 4.47Å; H114-F157 AromaticContact CD2-CE2 3.44Å; H114-F157 VanDerWaalsContact CD2-CE2 3.44Å; H114-F157 WeakPolarHBondContact CD2-CE2 3.46Å |
| 115 | I | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -54.7 | -38.5 | -178.3 | -65.2 | 171.6 | 0 | 0 | 0 | 113.2 | W57 I63 L67 L97 F110 A113 L117 F118 | W57-I115 HydrophobicContact CH2-CD1 4.18Å; W57-I115 HydrophobicContact CZ3-CD1 3.77Å; I63-I115 HydrophobicContact CG2-CD1 3.87Å; L67-I115 HydrophobicContact CD2-CG1 4.34Å; L67-I115 HydrophobicContact CD2-CG2 4.02Å; L97-I115 HydrophobicContact CD1-CG2 4.36Å; L97-I115 HydrophobicContact CD2-CG2 4.35Å; F110-I115 HydrophobicContact CD1-CB 4.3Å; F110-I115 HydrophobicContact CD2-CB 4.25Å; F110-I115 HydrophobicContact CD2-CD1 3.53Å; F110-I115 HydrophobicContact CD2-CG1 4.46Å; F110-I115 HydrophobicContact CD2-CG2 4.29Å; F110-I115 HydrophobicContact CE1-CB 3.96Å; F110-I115 HydrophobicContact CE1-CG2 4.02Å; F110-I115 HydrophobicContact CE2-CB 3.93Å; F110-I115 HydrophobicContact CE2-CD1 3.81Å; F110-I115 HydrophobicContact CE2-CG1 4.48Å; F110-I115 HydrophobicContact CE2-CG2 3.52Å; F110-I115 HydrophobicContact CG-CB 4.43Å; F110-I115 HydrophobicContact CG-CD1 4.07Å; F110-I115 HydrophobicContact CZ-CB 3.77Å; F110-I115 HydrophobicContact CZ-CG2 3.34Å; A113-I115 HydrophobicContact CB-CD1 4.08Å; A113-I115 HydrophobicContact CB-CG1 3.91Å; A113-I115 PolarHBondContact O-N 3.27Å; A113-I115 VanDerWaalsContact O-N 3.07Å; I115-L117 PolarHBondContact O-N 3.24Å; I115-L117 VanDerWaalsContact O-N 3.07Å; I115-F118 WeakPolarHBondContact O-CB 3.38Å; I115-F118 PolarHBondContact O-N 2.91Å |
| 116 | P | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -52.5 | -31.5 | 176.5 | -31.4 | 38.2 | 0 | 0 | 0 | 115 | F110 H114 F118 L119 Y120 I143 L146 F157 | F110-P116 HydrophobicContact CD1-CG 4.46Å; F110-P116 HydrophobicContact CE1-CG 3.9Å; H114-P116 VanDerWaalsContact C-N 3.32Å; P116-F118 PolarHBondContact O-N 2.96Å; P116-L119 WeakPolarHBondContact O-CB 3.5Å; P116-L119 PolarHBondContact O-N 2.98Å; P116-Y120 HydrophobicContact CB-CE1 4.39Å; P116-Y120 WeakPolarHBondContact O-CD1 3.31Å; P116-Y120 WeakPolarHBondContact O-CE1 3.38Å; P116-I143 HydrophobicContact CB-CD1 3.83Å; P116-I143 HydrophobicContact CG-CD1 4.5Å; P116-L146 HydrophobicContact CG-CD1 3.65Å; P116-F157 HydrophobicContact CB-CE1 3.8Å; P116-F157 HydrophobicContact CB-CZ 4.2Å; P116-F157 HydrophobicContact CG-CE1 3.88Å; P116-F157 HydrophobicContact CG-CZ 4.17Å |
| 117 | L | 98.7 | Very high | 98.3 | Very high | 65 Ų | 65 | 37.2 Ų | 37.2 | 34% | 0.34 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -63.6 | -30.3 | -178.7 | -62 | -174.1 | 0 | 0 | 0 | 112.4 | H114 I115 L119 Y120 P121 F157 T161 | H114-L117 HydrophobicContact CB-CD1 3.97Å; H114-L117 HydrophobicContact CB-CG 4.31Å; H114-L117 WeakPolarHBondContact O-CB 3.46Å; H114-L117 PolarHBondContact O-N 2.88Å; I115-L117 PolarHBondContact O-N 3.24Å; I115-L117 VanDerWaalsContact O-N 3.07Å; L117-L119 PolarHBondContact O-N 3.17Å; L117-Y120 HydrophobicContact CD2-CD2 3.99Å; L117-Y120 HydrophobicContact CD2-CE2 3.57Å; L117-Y120 PolarHBondContact O-N 3.1Å; L117-P121 WeakPolarHBondContact O-CD 3.42Å; L117-F157 HydrophobicContact CD2-CZ 4.38Å; L117-F157 HydrophobicContact CG-CZ 4.27Å; L117-T161 HydrophobicContact CD2-CG2 3.67Å |
| 118 | F | 98.8 | Very high | 98.3 | Very high | 72 Ų | 72 | 44 Ų | 44 | 32% | 0.316 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -67.1 | -17 | 175.3 | -70.8 | -97.6 | 0 | 0 | 0 | 112.6 | L67 I70 V71 Y74 I115 P116 | L67-F118 HydrophobicContact CD2-CB 4.32Å; L67-F118 HydrophobicContact CD2-CD1 4.3Å; L67-F118 HydrophobicContact CD2-CD2 4.01Å; L67-F118 HydrophobicContact CD2-CE2 4.39Å; L67-F118 HydrophobicContact CD2-CG 3.95Å; I70-F118 HydrophobicContact CG2-CB 4.07Å; I70-F118 WeakPolarHBondContact CG2-O 3.45Å; V71-F118 HydrophobicContact CG2-CD1 3.93Å; V71-F118 HydrophobicContact CG2-CE1 4.03Å; Y74-F118 VanDerWaalsContact OH-CA 3.24Å; Y74-F118 WeakPolarHBondContact OH-CA 3.24Å; Y74-F118 PolarHBondContact OH-O 3.5Å; I115-F118 WeakPolarHBondContact O-CB 3.38Å; I115-F118 PolarHBondContact O-N 2.91Å; P116-F118 PolarHBondContact O-N 2.96Å |
| 119 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -92.1 | -17.9 | -178.6 | -50.4 | -172.2 | 0 | 0 | 0 | 112.7 | I70 L94 P116 L117 F122 L123 V142 I143 | I70-L119 HydrophobicContact CD1-CD2 3.63Å; I70-L119 HydrophobicContact CG1-CD2 4.35Å; L94-L119 HydrophobicContact CD2-CD1 4.47Å; L94-L119 HydrophobicContact CD2-CD2 3.33Å; P116-L119 WeakPolarHBondContact O-CB 3.5Å; P116-L119 PolarHBondContact O-N 2.98Å; L117-L119 PolarHBondContact O-N 3.17Å; L119-F122 WeakPolarHBondContact O-CB 3.28Å; L119-F122 PolarHBondContact O-N 2.92Å; L119-L123 PolarHBondContact O-N 2.97Å; L119-V142 HydrophobicContact CD1-CB 3.68Å; L119-V142 HydrophobicContact CD1-CG1 3.75Å; L119-V142 HydrophobicContact CD1-CG2 3.96Å; L119-I143 HydrophobicContact CD1-CD1 4.44Å |
| 120 | Y | 98.6 | Very high | 98.2 | Very high | 21 Ų | 21 | 53.3 Ų | 53.3 | 8% | 0.082 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.7 | -36.5 | -175.1 | -69.6 | 6.3 | 0 | 0 | 0 | 113.8 | P116 L117 F122 L123 H124 I143 T161 I163 L166 | P116-Y120 HydrophobicContact CB-CE1 4.39Å; P116-Y120 WeakPolarHBondContact O-CD1 3.31Å; P116-Y120 WeakPolarHBondContact O-CE1 3.38Å; L117-Y120 HydrophobicContact CD2-CD2 3.99Å; L117-Y120 HydrophobicContact CD2-CE2 3.57Å; L117-Y120 PolarHBondContact O-N 3.1Å; Y120-F122 PolarHBondContact O-N 3.29Å; Y120-L123 HydrophobicContact CD1-CD1 4.19Å; Y120-L123 PolarHBondContact O-N 2.83Å; Y120-L123 VanDerWaalsContact O-N 3.09Å; Y120-H124 PolarHBondContact O-N 3.18Å; Y120-I143 HydrophobicContact CE1-CD1 4.32Å; Y120-T161 WeakPolarHBondContact CE2-O 3.38Å; Y120-T161 PolarHBondContact OH-OG1 3.28Å; Y120-I163 HydrophobicContact CD1-CD1 4.38Å; Y120-I163 HydrophobicContact CE1-CD1 3.69Å; Y120-L166 HydrophobicContact CD1-CD1 4Å; Y120-L166 HydrophobicContact CD2-CD1 3.97Å; Y120-L166 HydrophobicContact CG-CD1 3.69Å |
| 121 | P | 98.6 | Very high | 98.2 | Very high | 47 Ų | 47 | 54.2 Ų | 54.2 | 31% | 0.305 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -55.1 | -35.3 | 170.6 | -28.4 | 36.9 | 0 | 0 | 0 | 113.2 | Y74 L117 H124 T125 | Y74-P121 HydrophobicContact CD1-CB 4.38Å; Y74-P121 HydrophobicContact CE1-CB 4.07Å; Y74-P121 HydrophobicContact CE1-CG 4.11Å; L117-P121 WeakPolarHBondContact O-CD 3.42Å; P121-H124 PolarHBondContact O-N 3.48Å; P121-T125 WeakPolarHBondContact O-CG2 3.49Å |
| 122 | F | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -70.3 | -41.1 | 176.6 | -59.4 | -20.1 | 0 | 0 | 0 | 112 | I70 I73 Y74 I77 V90 L94 L119 Y120 H124 T125 L135 R136 | I70-F122 HydrophobicContact CB-CE2 4.36Å; I70-F122 HydrophobicContact CB-CZ 4.3Å; I70-F122 HydrophobicContact CG1-CE2 4.2Å; I70-F122 HydrophobicContact CG2-CE2 3.75Å; I70-F122 HydrophobicContact CG2-CZ 3.65Å; I73-F122 HydrophobicContact CB-CE1 4.05Å; I73-F122 HydrophobicContact CB-CZ 3.97Å; I73-F122 HydrophobicContact CG2-CE1 3.69Å; I73-F122 HydrophobicContact CG2-CZ 3.96Å; Y74-F122 AromaticContact CD1-CE1 3.75Å; Y74-F122 HydrophobicContact CD1-CE1 3.75Å; Y74-F122 HydrophobicContact CD1-CZ 4.34Å; Y74-F122 HydrophobicContact CE1-CD1 4.36Å; Y74-F122 AromaticContact CE1-CE1 3.73Å; Y74-F122 HydrophobicContact CE1-CE1 3.73Å; Y74-F122 HydrophobicContact CE1-CZ 4.07Å; I77-F122 HydrophobicContact CD1-CD1 3.66Å; I77-F122 HydrophobicContact CD1-CE1 3.85Å; I77-F122 HydrophobicContact CG1-CD1 3.95Å; I77-F122 HydrophobicContact CG1-CE1 3.93Å; V90-F122 HydrophobicContact CG2-CE2 4.25Å; V90-F122 HydrophobicContact CG2-CZ 4.31Å; L94-F122 HydrophobicContact CD1-CD2 4.38Å; L94-F122 HydrophobicContact CD1-CE2 4.41Å; L94-F122 HydrophobicContact CD2-CE2 4.46Å; L119-F122 WeakPolarHBondContact O-CB 3.28Å; L119-F122 PolarHBondContact O-N 2.92Å; Y120-F122 PolarHBondContact O-N 3.29Å; F122-H124 VanDerWaalsContact C-N 3.26Å; F122-H124 PolarHBondContact O-N 2.98Å; F122-T125 WeakPolarHBondContact O-CB 3.49Å; F122-T125 WeakPolarHBondContact O-CG2 3.43Å; F122-T125 PolarHBondContact O-N 3.41Å; F122-T125 PolarHBondContact O-OG1 3.31Å; F122-L135 HydrophobicContact CB-CD2 3.96Å; F122-L135 HydrophobicContact CB-CG 3.98Å; F122-L135 HydrophobicContact CD1-CD2 3.71Å; F122-L135 HydrophobicContact CD1-CG 4.36Å; F122-L135 HydrophobicContact CD2-CD1 3.72Å; F122-L135 HydrophobicContact CD2-CD2 4.28Å; F122-L135 HydrophobicContact CD2-CG 4.05Å; F122-L135 HydrophobicContact CE1-CD2 4.18Å; F122-L135 HydrophobicContact CE2-CD1 3.85Å; F122-L135 HydrophobicContact CG-CD1 4.06Å; F122-L135 HydrophobicContact CG-CD2 3.74Å; F122-L135 HydrophobicContact CG-CG 3.9Å; F122-L135 HydrophobicContact CZ-CD1 4.3Å; F122-R136 VanDerWaalsContact O-CG 3.31Å; F122-R136 WeakPolarHBondContact O-CG 3.39Å |
| 123 | L | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.7 | -25.3 | 177.3 | -60.6 | -177.1 | 0 | 0 | 0 | 113 | L119 Y120 T125 L140 I163 L166 I170 | L119-L123 PolarHBondContact O-N 2.97Å; Y120-L123 HydrophobicContact CD1-CD1 4.19Å; Y120-L123 PolarHBondContact O-N 2.83Å; Y120-L123 VanDerWaalsContact O-N 3.09Å; L123-T125 VanDerWaalsContact C-N 3.27Å; L123-T125 PolarHBondContact O-N 3.28Å; L123-L140 HydrophobicContact CD1-CD2 4.44Å; L123-L140 HydrophobicContact CD2-CD2 3.84Å; L123-L140 HydrophobicContact CD2-CG 3.73Å; L123-I163 HydrophobicContact CD1-CD1 3.98Å; L123-L166 HydrophobicContact CB-CB 4.46Å; L123-L166 HydrophobicContact CB-CD1 4.18Å; L123-L166 HydrophobicContact CB-CD2 4.29Å; L123-L166 HydrophobicContact CD1-CD1 4.26Å; L123-I170 HydrophobicContact CB-CD1 4.25Å; L123-I170 HydrophobicContact CD2-CD1 4.02Å |
| 124 | H | 97.4 | Very high | 98.2 | Very high | 93 Ų | 93 | 55.3 Ų | 55.3 | 43% | 0.431 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -18.8 | 175.7 | -95.2 | -60.2 | 0 | 0 | 0 | 114.3 | Y120 P121 F122 L166 R169 | Y120-H124 PolarHBondContact O-N 3.18Å; P121-H124 PolarHBondContact O-N 3.48Å; F122-H124 VanDerWaalsContact C-N 3.26Å; F122-H124 PolarHBondContact O-N 2.98Å; H124-L166 HydrophobicContact CB-CD2 4.49Å; H124-L166 VanDerWaalsContact CE1-CD2 3.42Å; H124-L166 WeakPolarHBondContact CE1-CD2 3.32Å; H124-R169 PolarHBondContact ND1-NH1 3.18Å; H124-R169 PolarHBondContact O-NH1 3.46Å |
| 125 | T | 97.8 | Very high | 98.3 | Very high | 16 Ų | 16 | 50.8 Ų | 50.8 | 10% | 0.098 | 24% | 0.244 | C | C | . | . | trans | -66 | 145.8 | -175.5 | 65.6 | 0 | 0 | 0 | 0 | 112.9 | I77 P121 F122 L123 F132 R136 | I77-T125 HydrophobicContact CD1-CG2 4.19Å; I77-T125 HydrophobicContact CG2-CG2 3.47Å; I77-T125 VanDerWaalsContact CG2-CG2 3.47Å; P121-T125 WeakPolarHBondContact O-CG2 3.49Å; F122-T125 WeakPolarHBondContact O-CB 3.49Å; F122-T125 WeakPolarHBondContact O-CG2 3.43Å; F122-T125 PolarHBondContact O-N 3.41Å; F122-T125 PolarHBondContact O-OG1 3.31Å; L123-T125 VanDerWaalsContact C-N 3.27Å; L123-T125 PolarHBondContact O-N 3.28Å; T125-F132 HydrophobicContact CG2-CD1 3.86Å; T125-F132 HydrophobicContact CG2-CE1 3.79Å; T125-R136 WeakPolarHBondContact O-CD 3.41Å; T125-R136 PolarHBondContact O-NH1 3.15Å; T125-R136 WeakPolarHBondContact OG1-CD 3.48Å; T125-R136 WeakPolarHBondContact OG1-CG 3.25Å; T125-R136 PolarHBondContact OG1-NH1 3.21Å | ||
| 126 | V | 97.1 | Very high | 98.3 | Very high | 102 Ų | 102 | 51.2 Ų | 51.2 | 62% | 0.618 | 25% | 0.245 | S | C | * | . | trans | -119.6 | -7.7 | -178.3 | -60.9 | 0 | 0 | 0 | 0 | 113.9 | K128 | V126-K128 PolarHBondContact O-N 3.37Š| ||
| 127 | S | 97.3 | Very high | 98.3 | Very high | 28 Ų | 28 | 53.3 Ų | 53.3 | 20% | 0.196 | 26% | 0.256 | C | S | . | . | trans | -58.2 | 130.4 | 177.1 | 177.4 | 0 | 0 | 0 | 0 | 110.5 | T129 F132 R136 | S127-T129 VanDerWaalsContact C-N 3.35Å; S127-T129 PolarHBondContact OG-OG1 3.21Å; S127-F132 WeakPolarHBondContact O-CB 3.32Å; S127-F132 WeakPolarHBondContact OG-CD2 3.43Å; S127-R136 PolarHBondContact O-NH1 3.17Å; S127-R136 PolarHBondContact O-NH2 3.38Å | ||
| 128 | K | 96.9 | Very high | 98.3 | Very high | 158 Ų | 158 | 51 Ų | 51 | 69% | 0.687 | 25% | 0.245 | S | C | * | . | trans | -93.2 | 9.2 | -178.2 | -62.8 | -171.1 | 176.9 | -175.9 | 0 | 113.3 | V126 | V126-K128 PolarHBondContact O-N 3.37Š| ||
| 129 | T | 97.8 | Very high | 98.3 | Very high | 70 Ų | 70 | 47.6 Ų | 47.6 | 43% | 0.429 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -68.7 | 148.8 | 173.9 | 62.5 | 0 | 0 | 0 | 0 | 109.8 | S127 P131 F132 E133 | S127-T129 VanDerWaalsContact C-N 3.35Å; S127-T129 PolarHBondContact OG-OG1 3.21Å; T129-P131 VanDerWaalsContact C-N 3.32Å; T129-F132 PolarHBondContact O-N 3.28Å; T129-F132 WeakPolarHBondContact OG1-CD2 3.36Å; T129-E133 PolarHBondContact O-N 3.2Å |
| 130 | R | 98.1 | Very high | 98.3 | Very high | 217 Ų | 217 | 47.6 Ų | 47.6 | 82% | 0.819 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -50.1 | -41.8 | -179.8 | -175.4 | 176.9 | 178.5 | 173.8 | 0.4 | 114.2 | F132 E133 Y134 | R130-F132 VanDerWaalsContact C-N 3.34Å; R130-F132 PolarHBondContact O-N 2.95Å; R130-E133 PolarHBondContact O-N 3.04Å; R130-Y134 WeakPolarHBondContact O-CB 3.35Å; R130-Y134 PolarHBondContact O-N 3.47Å |
| 131 | P | 98.6 | Very high | 98.3 | Very high | 20 Ų | 20 | 47.2 Ų | 47.2 | 13% | 0.13 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.4 | -40.6 | 177.1 | -25.8 | 36.4 | 0 | 0 | 0 | 113.5 | L82 A84 S87 T129 L135 | L82-P131 HydrophobicContact CD2-CB 4.23Å; L82-P131 HydrophobicContact CG-CB 4.27Å; A84-P131 HydrophobicContact CB-CG 4.19Å; S87-P131 PolarHBondContact OG-O 3.1Å; T129-P131 VanDerWaalsContact C-N 3.32Å; P131-L135 WeakPolarHBondContact O-CB 3.35Å; P131-L135 PolarHBondContact O-N 2.71Å |
| 132 | F | 98.6 | Very high | 98.3 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.009 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -76.3 | -37.3 | 179.8 | -84.5 | -87.2 | 0 | 0 | 0 | 112.7 | I77 P80 L82 T125 S127 T129 R130 Y134 L135 R136 | I77-F132 HydrophobicContact CD1-CE1 3.95Å; P80-F132 HydrophobicContact CB-CE1 4.44Å; P80-F132 HydrophobicContact CB-CE2 3.83Å; P80-F132 HydrophobicContact CB-CZ 3.62Å; L82-F132 HydrophobicContact CB-CD2 4Å; L82-F132 HydrophobicContact CB-CE1 4.34Å; L82-F132 HydrophobicContact CB-CE2 3.4Å; L82-F132 VanDerWaalsContact CB-CE2 3.4Å; L82-F132 HydrophobicContact CB-CZ 3.58Å; L82-F132 HydrophobicContact CD2-CD1 4.41Å; L82-F132 HydrophobicContact CD2-CD2 4.33Å; L82-F132 HydrophobicContact CD2-CE1 4.46Å; L82-F132 HydrophobicContact CD2-CE2 4.42Å; L82-F132 HydrophobicContact CD2-CG 4.36Å; L82-F132 HydrophobicContact CD2-CZ 4.46Å; T125-F132 HydrophobicContact CG2-CD1 3.86Å; T125-F132 HydrophobicContact CG2-CE1 3.79Å; S127-F132 WeakPolarHBondContact O-CB 3.32Å; S127-F132 WeakPolarHBondContact OG-CD2 3.43Å; T129-F132 PolarHBondContact O-N 3.28Å; T129-F132 WeakPolarHBondContact OG1-CD2 3.36Å; R130-F132 VanDerWaalsContact C-N 3.34Å; R130-F132 PolarHBondContact O-N 2.95Å; F132-Y134 VanDerWaalsContact C-N 3.35Å; F132-L135 PolarHBondContact O-N 3.26Å; F132-R136 PolarHBondContact O-N 3.45Å |
| 133 | E | 98.2 | Very high | 98.3 | Very high | 62 Ų | 62 | 45 Ų | 45 | 29% | 0.29 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.8 | -43.6 | 173.9 | -69.6 | -165.2 | 135.7 | 0 | 0 | 111.8 | T129 R130 R136 L137 | T129-E133 PolarHBondContact O-N 3.2Å; R130-E133 PolarHBondContact O-N 3.04Å; E133-R136 PolarHBondContact O-N 3.36Å; E133-L137 WeakPolarHBondContact O-CB 3.39Å; E133-L137 PolarHBondContact O-N 3.1Å |
| 134 | Y | 98.6 | Very high | 98.3 | Very high | 92 Ų | 92 | 45.3 Ų | 45.3 | 36% | 0.361 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.3 | -41.7 | 177.5 | -176.6 | -137.3 | 0 | 0 | 0 | 112 | C91 R130 F132 R136 L137 T138 | C91-Y134 HydrophobicContact CB-CD1 4.1Å; C91-Y134 HydrophobicContact CB-CE1 3.43Å; C91-Y134 VanDerWaalsContact CB-CE1 3.43Å; C91-Y134 VanDerWaalsContact SG-CD1 3.57Å; C91-Y134 VanDerWaalsContact SG-CE1 3.55Å; R130-Y134 WeakPolarHBondContact O-CB 3.35Å; R130-Y134 PolarHBondContact O-N 3.47Å; F132-Y134 VanDerWaalsContact C-N 3.35Å; Y134-R136 PolarHBondContact O-N 3Å; Y134-L137 PolarHBondContact O-N 2.98Å; Y134-T138 WeakPolarHBondContact CE2-OG1 3.35Å; Y134-T138 PolarHBondContact O-N 3.36Å; Y134-T138 PolarHBondContact O-OG1 2.76Å |
| 135 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58 | -48.6 | 175.4 | -178 | 68 | 0 | 0 | 0 | 111.9 | I77 L82 V90 L94 F122 P131 F132 T138 S139 | I77-L135 HydrophobicContact CD1-CD2 3.64Å; L82-L135 HydrophobicContact CD2-CB 4.32Å; L82-L135 HydrophobicContact CD2-CD2 3.74Å; V90-L135 HydrophobicContact CG1-CD1 3.54Å; L94-L135 HydrophobicContact CD1-CD1 3.94Å; F122-L135 HydrophobicContact CB-CD2 3.96Å; F122-L135 HydrophobicContact CB-CG 3.98Å; F122-L135 HydrophobicContact CD1-CD2 3.71Å; F122-L135 HydrophobicContact CD1-CG 4.36Å; F122-L135 HydrophobicContact CD2-CD1 3.72Å; F122-L135 HydrophobicContact CD2-CD2 4.28Å; F122-L135 HydrophobicContact CD2-CG 4.05Å; F122-L135 HydrophobicContact CE1-CD2 4.18Å; F122-L135 HydrophobicContact CE2-CD1 3.85Å; F122-L135 HydrophobicContact CG-CD1 4.06Å; F122-L135 HydrophobicContact CG-CD2 3.74Å; F122-L135 HydrophobicContact CG-CG 3.9Å; F122-L135 HydrophobicContact CZ-CD1 4.3Å; P131-L135 WeakPolarHBondContact O-CB 3.35Å; P131-L135 PolarHBondContact O-N 2.71Å; F132-L135 PolarHBondContact O-N 3.26Å; L135-T138 PolarHBondContact O-N 3.3Å; L135-S139 WeakPolarHBondContact O-CB 3.05Å; L135-S139 PolarHBondContact O-N 3.41Å; L135-S139 PolarHBondContact O-OG 2.64Å |
| 136 | R | 98.8 | Very high | 98.4 | Very high | 10 Ų | 10 | 40.4 Ų | 40.4 | 4% | 0.038 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.7 | -45.7 | 177.7 | -75.9 | -171 | -62 | -88.9 | 0.7 | 111.9 | F122 T125 S127 F132 E133 Y134 T138 S139 L140 | F122-R136 VanDerWaalsContact O-CG 3.31Å; F122-R136 WeakPolarHBondContact O-CG 3.39Å; T125-R136 WeakPolarHBondContact O-CD 3.41Å; T125-R136 PolarHBondContact O-NH1 3.15Å; T125-R136 WeakPolarHBondContact OG1-CD 3.48Å; T125-R136 WeakPolarHBondContact OG1-CG 3.25Å; T125-R136 PolarHBondContact OG1-NH1 3.21Å; S127-R136 PolarHBondContact O-NH1 3.17Å; S127-R136 PolarHBondContact O-NH2 3.38Å; F132-R136 PolarHBondContact O-N 3.45Å; E133-R136 PolarHBondContact O-N 3.36Å; Y134-R136 PolarHBondContact O-N 3Å; R136-T138 VanDerWaalsContact C-N 3.35Å; R136-T138 PolarHBondContact O-N 3.1Å; R136-S139 PolarHBondContact O-N 2.95Å; R136-L140 WeakPolarHBondContact O-CB 3.48Å; R136-L140 WeakPolarHBondContact O-CG 3.33Å; R136-L140 PolarHBondContact O-N 2.88Å |
| 137 | L | 98.8 | Very high | 98.4 | Very high | 45 Ų | 45 | 35.6 Ų | 35.6 | 24% | 0.236 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.8 | -44.6 | -179.5 | -179.3 | 60.4 | 0 | 0 | 0 | 111.7 | E133 Y134 L140 G141 L177 V181 | E133-L137 WeakPolarHBondContact O-CB 3.39Å; E133-L137 PolarHBondContact O-N 3.1Å; Y134-L137 PolarHBondContact O-N 2.98Å; L137-L140 PolarHBondContact O-N 3.47Å; L137-G141 PolarHBondContact O-N 3.22Å; L137-L177 HydrophobicContact CD1-CB 4Å; L137-L177 HydrophobicContact CD2-CB 4.08Å; L137-L177 HydrophobicContact CD2-CD1 4.04Å; L137-V181 HydrophobicContact CD1-CG2 4.04Å |
| 138 | T | 98.8 | Very high | 98.4 | Very high | 16 Ų | 16 | 40.6 Ų | 40.6 | 10% | 0.098 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68 | -39.5 | 179 | -48.9 | 0 | 0 | 0 | 0 | 111.3 | C91 L94 Y134 L135 R136 G141 V142 | C91-T138 HydrophobicContact CB-CG2 4.14Å; C91-T138 PolarHBondContact SG-OG1 3.04Å; C91-T138 VanDerWaalsContact SG-OG1 3.37Å; L94-T138 HydrophobicContact CB-CG2 3.58Å; L94-T138 HydrophobicContact CD1-CG2 4.16Å; Y134-T138 WeakPolarHBondContact CE2-OG1 3.35Å; Y134-T138 PolarHBondContact O-N 3.36Å; Y134-T138 PolarHBondContact O-OG1 2.76Å; L135-T138 PolarHBondContact O-N 3.3Å; R136-T138 VanDerWaalsContact C-N 3.35Å; R136-T138 PolarHBondContact O-N 3.1Å; T138-G141 WeakPolarHBondContact O-CA 3.23Å; T138-G141 PolarHBondContact O-N 3.01Å; T138-V142 PolarHBondContact O-N 3.19Å |
| 139 | S | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.8 | -44.5 | 174.6 | -57.1 | 0 | 0 | 0 | 0 | 112.1 | L135 R136 G141 V142 I143 | L135-S139 WeakPolarHBondContact O-CB 3.05Å; L135-S139 PolarHBondContact O-N 3.41Å; L135-S139 PolarHBondContact O-OG 2.64Å; R136-S139 PolarHBondContact O-N 2.95Å; S139-G141 PolarHBondContact O-N 3.23Å; S139-V142 WeakPolarHBondContact O-CB 3.25Å; S139-V142 PolarHBondContact O-N 2.95Å; S139-I143 PolarHBondContact O-N 3.13Å |
| 140 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.9 | -32 | 172.1 | -72.2 | 169.1 | 0 | 0 | 0 | 112 | L123 R136 L137 V142 I143 G144 I170 V181 A182 I185 | L123-L140 HydrophobicContact CD1-CD2 4.44Å; L123-L140 HydrophobicContact CD2-CD2 3.84Å; L123-L140 HydrophobicContact CD2-CG 3.73Å; R136-L140 WeakPolarHBondContact O-CB 3.48Å; R136-L140 WeakPolarHBondContact O-CG 3.33Å; R136-L140 PolarHBondContact O-N 2.88Å; L137-L140 PolarHBondContact O-N 3.47Å; L140-V142 VanDerWaalsContact C-N 3.31Å; L140-V142 PolarHBondContact O-N 3.36Å; L140-I143 PolarHBondContact O-N 3.34Å; L140-G144 WeakPolarHBondContact O-CA 3.48Å; L140-G144 PolarHBondContact O-N 2.99Å; L140-I170 HydrophobicContact CD1-CD1 4.11Å; L140-I170 HydrophobicContact CD1-CG2 4.05Å; L140-I170 HydrophobicContact CD2-CD1 4.02Å; L140-I170 HydrophobicContact CG-CD1 4.31Å; L140-V181 HydrophobicContact CB-CB 4.21Å; L140-V181 HydrophobicContact CB-CG1 3.7Å; L140-V181 HydrophobicContact CD1-CB 4.46Å; L140-A182 HydrophobicContact CD1-CB 4.49Å; L140-A182 HydrophobicContact CD2-CB 4.39Å; L140-I185 HydrophobicContact CD2-CD1 3.84Å |
| 141 | G | 98.8 | Very high | 98 | Very high | 14 Ų | 14 | 28.8 Ų | 28.8 | 14% | 0.144 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.6 | -38.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | Q98 L137 T138 S139 A145 | Q98-G141 PolarHBondContact NE2-O 3.21Å; L137-G141 PolarHBondContact O-N 3.22Å; T138-G141 WeakPolarHBondContact O-CA 3.23Å; T138-G141 PolarHBondContact O-N 3.01Å; S139-G141 PolarHBondContact O-N 3.23Å; G141-A145 WeakPolarHBondContact O-CB 3.42Å; G141-A145 PolarHBondContact O-N 3.5Å |
| 142 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.1 | -50.8 | 174.8 | -175.7 | 0 | 0 | 0 | 0 | 110.7 | L94 Q98 A101 F110 L119 T138 S139 L140 G144 A145 L146 | L94-V142 HydrophobicContact CB-CG2 4.43Å; L94-V142 WeakPolarHBondContact O-CG2 3.17Å; Q98-V142 HydrophobicContact CB-CG2 4Å; A101-V142 HydrophobicContact CB-CG1 4.18Å; F110-V142 HydrophobicContact CE1-CG1 4.22Å; F110-V142 HydrophobicContact CZ-CG1 3.76Å; L119-V142 HydrophobicContact CD1-CB 3.68Å; L119-V142 HydrophobicContact CD1-CG1 3.75Å; L119-V142 HydrophobicContact CD1-CG2 3.96Å; T138-V142 PolarHBondContact O-N 3.19Å; S139-V142 WeakPolarHBondContact O-CB 3.25Å; S139-V142 PolarHBondContact O-N 2.95Å; L140-V142 VanDerWaalsContact C-N 3.31Å; L140-V142 PolarHBondContact O-N 3.36Å; V142-G144 VanDerWaalsContact C-N 3.31Å; V142-G144 PolarHBondContact O-N 2.93Å; V142-A145 WeakPolarHBondContact O-CB 3.46Å; V142-A145 PolarHBondContact O-N 3.19Å; V142-A145 VanDerWaalsContact O-N 3.1Å; V142-L146 PolarHBondContact O-N 2.79Å |
| 143 | I | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.7 | -40.6 | 178.3 | -52.5 | -56 | 0 | 0 | 0 | 111 | P116 L119 Y120 S139 L140 A145 L146 V147 L158 I163 I185 | P116-I143 HydrophobicContact CB-CD1 3.83Å; P116-I143 HydrophobicContact CG-CD1 4.5Å; L119-I143 HydrophobicContact CD1-CD1 4.44Å; Y120-I143 HydrophobicContact CE1-CD1 4.32Å; S139-I143 PolarHBondContact O-N 3.13Å; L140-I143 PolarHBondContact O-N 3.34Å; I143-A145 VanDerWaalsContact C-N 3.26Å; I143-A145 PolarHBondContact O-N 2.61Å; I143-L146 WeakPolarHBondContact O-CB 3.35Å; I143-L146 PolarHBondContact O-N 3.25Å; I143-L146 VanDerWaalsContact O-N 3.17Å; I143-V147 PolarHBondContact O-N 3.25Å; I143-V147 VanDerWaalsContact O-N 3.15Å; I143-L158 HydrophobicContact CG2-CD1 4.23Å; I143-L158 HydrophobicContact CG2-CD2 4.15Å; I143-I163 HydrophobicContact CG2-CD1 4.41Å; I143-I163 HydrophobicContact CG2-CG1 4.36Å; I143-I185 HydrophobicContact CB-CD1 3.89Å; I143-I185 HydrophobicContact CG2-CD1 3.8Å; I143-I185 HydrophobicContact CG2-CG1 4.23Å; I143-I185 HydrophobicContact CG2-CG2 4.07Å |
| 144 | G | 98.6 | Very high | 97.9 | Very high | 6 Ų | 6 | 34.2 Ų | 34.2 | 6% | 0.062 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.2 | -32.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | L140 V142 K148 | L140-G144 WeakPolarHBondContact O-CA 3.48Å; L140-G144 PolarHBondContact O-N 2.99Å; V142-G144 VanDerWaalsContact C-N 3.31Å; V142-G144 PolarHBondContact O-N 2.93Å; G144-K148 VanDerWaalsContact O-CG 3.28Å; G144-K148 WeakPolarHBondContact O-CG 3.39Å; G144-K148 PolarHBondContact O-N 3.02Å |
| 145 | A | 98.3 | Very high | 97.8 | Very high | 6 Ų | 6 | 30 Ų | 30 | 5% | 0.05 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -71.6 | -37 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q98 A101 G141 V142 I143 K148 | Q98-A145 HydrophobicContact CG-CB 3.83Å; A101-A145 HydrophobicContact CB-CB 4.47Å; G141-A145 WeakPolarHBondContact O-CB 3.42Å; G141-A145 PolarHBondContact O-N 3.5Å; V142-A145 WeakPolarHBondContact O-CB 3.46Å; V142-A145 PolarHBondContact O-N 3.19Å; V142-A145 VanDerWaalsContact O-N 3.1Å; I143-A145 VanDerWaalsContact C-N 3.26Å; I143-A145 PolarHBondContact O-N 2.61Å; A145-K148 PolarHBondContact O-N 3.23Å |
| 146 | L | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.2 | -50.9 | 175.6 | -71.7 | 174 | 0 | 0 | 0 | 111.9 | A101 R107 F110 L111 P116 V142 I143 K148 T149 V154 | A101-L146 HydrophobicContact CB-CD2 3.75Å; A101-L146 HydrophobicContact CB-CG 3.97Å; R107-L146 HydrophobicContact CG-CD2 3.91Å; F110-L146 HydrophobicContact CD1-CD1 4.41Å; F110-L146 HydrophobicContact CD1-CD2 4.02Å; F110-L146 HydrophobicContact CE1-CD1 4.1Å; F110-L146 HydrophobicContact CE1-CD2 4.34Å; L111-L146 HydrophobicContact CD1-CD1 4.47Å; P116-L146 HydrophobicContact CG-CD1 3.65Å; V142-L146 PolarHBondContact O-N 2.79Å; I143-L146 WeakPolarHBondContact O-CB 3.35Å; I143-L146 PolarHBondContact O-N 3.25Å; I143-L146 VanDerWaalsContact O-N 3.17Å; L146-K148 PolarHBondContact O-N 2.96Å; L146-T149 PolarHBondContact O-OG1 3.07Å; L146-V154 HydrophobicContact CB-CG1 3.73Å |
| 147 | V | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -74.5 | -5.2 | -176.3 | -59.3 | 0 | 0 | 0 | 0 | 113.9 | I143 T149 V154 I155 L158 F184 I185 K188 | I143-V147 PolarHBondContact O-N 3.25Å; I143-V147 VanDerWaalsContact O-N 3.15Å; V147-T149 VanDerWaalsContact C-N 3.25Å; V147-T149 PolarHBondContact O-N 3.2Å; V147-V154 HydrophobicContact CG1-CG1 4.07Å; V147-I155 HydrophobicContact CG1-CD1 4.27Å; V147-L158 HydrophobicContact CG1-CD1 3.27Å; V147-F184 HydrophobicContact CG2-CE1 4.02Å; V147-I185 HydrophobicContact CG1-CG2 4.46Å; V147-I185 HydrophobicContact CG2-CG1 4.11Å; V147-K188 HydrophobicContact CB-CB 3.79Å; V147-K188 HydrophobicContact CB-CG 4.13Å; V147-K188 HydrophobicContact CG2-CB 3.95Å; V147-K188 HydrophobicContact CG2-CG 3.93Å; V147-K188 WeakPolarHBondContact O-CD 3.42Å; V147-K188 WeakPolarHBondContact O-CE 3.39Å; V147-K188 WeakPolarHBondContact O-CG 3.43Å |
| 148 | K | 96.9 | Very high | 97.8 | Very high | 134 Ų | 134 | 31.4 Ų | 31.4 | 58% | 0.583 | 16% | 0.16 | S | C | * | . | G | 310 helix | trans | -68.1 | -25.6 | 179.1 | -98 | 175.6 | 173.1 | -172 | 0 | 113.1 | G144 A145 L146 F184 | G144-K148 VanDerWaalsContact O-CG 3.28Å; G144-K148 WeakPolarHBondContact O-CG 3.39Å; G144-K148 PolarHBondContact O-N 3.02Å; A145-K148 PolarHBondContact O-N 3.23Å; L146-K148 PolarHBondContact O-N 2.96Å; K148-F184 HydrophobicContact CG-CE1 4.05Å; K148-F184 HydrophobicContact CG-CZ 3.75Å |
| 149 | T | 94.1 | Very high | 97.7 | Very high | 50 Ų | 50 | 31.3 Ų | 31.3 | 31% | 0.307 | 16% | 0.159 | S | C | . | . | G | 310 helix | trans | -87.5 | -3.8 | -175.4 | 61.4 | 0 | 0 | 0 | 0 | 114.4 | L146 V147 E151 | L146-T149 PolarHBondContact O-OG1 3.07Å; V147-T149 VanDerWaalsContact C-N 3.25Å; V147-T149 PolarHBondContact O-N 3.2Å; T149-E151 VanDerWaalsContact CB-OE1 3.24Å; T149-E151 WeakPolarHBondContact CB-OE1 3.48Å; T149-E151 PolarHBondContact O-N 3.22Å; T149-E151 PolarHBondContact OG1-OE1 3.07Å |
| 150 | D | 94.1 | Very high | 97.6 | Very high | 95 Ų | 95 | 36.7 Ų | 36.7 | 51% | 0.508 | 19% | 0.192 | S | C | . | . | trans | 58.9 | 24.4 | 179.6 | -59.6 | -53.2 | 0 | 0 | 0 | 113.5 | K188 | D150-K188 WeakPolarHBondContact OD1-CD 3.21Å; D150-K188 WeakPolarHBondContact OD1-CE 3.4Å; D150-K188 IonicContact OD1-NZ 3.84Å; D150-K188 PolarHBondContact OD1-NZ 3.29Å; D150-K188 IonicContact OD2-NZ 3.85Å; D150-K188 PolarHBondContact OD2-NZ 3.33Å | ||
| 151 | E | 96.3 | Very high | 97.6 | Very high | 51 Ų | 51 | 38 Ų | 38 | 24% | 0.238 | 20% | 0.2 | C | C | . | . | trans | -75.3 | 126.8 | 177.6 | -76.2 | 166.7 | -126.1 | 0 | 0 | 111.9 | R107 T149 E153 V154 I155 | R107-E151 WeakPolarHBondContact CD-OE1 3.49Å; R107-E151 IonicContact CZ-OE1 2.94Å; R107-E151 IonicContact NE-OE1 3.85Å; R107-E151 IonicContact NH1-OE1 3.33Å; R107-E151 PolarHBondContact NH1-OE1 3.07Å; T149-E151 VanDerWaalsContact CB-OE1 3.24Å; T149-E151 WeakPolarHBondContact CB-OE1 3.48Å; T149-E151 PolarHBondContact O-N 3.22Å; T149-E151 PolarHBondContact OG1-OE1 3.07Å; E151-E153 VanDerWaalsContact C-N 3.27Å; E151-E153 HydrophobicContact CB-CG 4.28Å; E151-E153 PolarHBondContact O-N 3.15Å; E151-V154 HydrophobicContact CB-CB 4.49Å; E151-V154 HydrophobicContact CB-CG2 4.05Å; E151-V154 WeakPolarHBondContact O-CB 3.47Å; E151-V154 PolarHBondContact O-N 3.07Å; E151-V154 VanDerWaalsContact O-N 3.14Å; E151-I155 PolarHBondContact O-N 3.07Å | ||
| 152 | Q | 96.9 | Very high | 97.4 | Very high | 112 Ų | 112 | 43.8 Ų | 43.8 | 52% | 0.523 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.6 | -33.1 | -178.2 | -163.8 | 177.8 | 21.2 | 0 | 0 | 112.7 | V154 I155 N156 T194 | Q152-V154 VanDerWaalsContact C-N 3.28Å; Q152-V154 PolarHBondContact O-N 3.29Å; Q152-I155 PolarHBondContact O-N 2.97Å; Q152-N156 WeakPolarHBondContact O-CB 3.28Å; Q152-N156 PolarHBondContact O-N 3.42Å; Q152-N156 PolarHBondContact O-ND2 3.45Å; Q152-T194 PolarHBondContact NE2-OG1 3.32Å |
| 153 | E | 97.2 | Very high | 97.4 | Very high | 87 Ų | 87 | 43.8 Ų | 43.8 | 41% | 0.407 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.1 | -39.3 | 176.3 | 65.7 | 172.6 | -159 | 0 | 0 | 112.2 | S108 L111 E151 F157 | S108-E153 WeakPolarHBondContact CB-OE1 3.26Å; S108-E153 PolarHBondContact OG-OE1 3.29Å; L111-E153 HydrophobicContact CD2-CB 4.36Å; L111-E153 HydrophobicContact CD2-CG 4.04Å; E151-E153 VanDerWaalsContact C-N 3.27Å; E151-E153 HydrophobicContact CB-CG 4.28Å; E151-E153 PolarHBondContact O-N 3.15Å; E153-F157 WeakPolarHBondContact O-CB 3.32Å; E153-F157 PolarHBondContact O-N 3.21Å |
| 154 | V | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.4 | -45.6 | 177.1 | 174.8 | 0 | 0 | 0 | 0 | 110.2 | L111 L146 V147 E151 Q152 F157 L158 | L111-V154 HydrophobicContact CD2-CG2 4.05Å; L146-V154 HydrophobicContact CB-CG1 3.73Å; V147-V154 HydrophobicContact CG1-CG1 4.07Å; E151-V154 HydrophobicContact CB-CB 4.49Å; E151-V154 HydrophobicContact CB-CG2 4.05Å; E151-V154 WeakPolarHBondContact O-CB 3.47Å; E151-V154 PolarHBondContact O-N 3.07Å; E151-V154 VanDerWaalsContact O-N 3.14Å; Q152-V154 VanDerWaalsContact C-N 3.28Å; Q152-V154 PolarHBondContact O-N 3.29Å; V154-F157 PolarHBondContact O-N 3.08Å; V154-L158 HydrophobicContact CG1-CD1 4.06Å; V154-L158 HydrophobicContact CG1-CG 4.45Å; V154-L158 WeakPolarHBondContact O-CB 3.16Å; V154-L158 VanDerWaalsContact O-CG 3.26Å; V154-L158 WeakPolarHBondContact O-CG 3.14Å; V154-L158 PolarHBondContact O-N 3Å |
| 155 | I | 98.4 | Very high | 97.4 | Very high | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.3 | -47.9 | 179.1 | -58.9 | -53.8 | 0 | 0 | 0 | 110.5 | V147 E151 Q152 F157 L158 L159 I189 D192 | V147-I155 HydrophobicContact CG1-CD1 4.27Å; E151-I155 PolarHBondContact O-N 3.07Å; Q152-I155 PolarHBondContact O-N 2.97Å; I155-F157 PolarHBondContact O-N 3.44Å; I155-L158 PolarHBondContact O-N 2.65Å; I155-L159 HydrophobicContact CG2-CD1 4.07Å; I155-L159 HydrophobicContact CG2-CG 4.27Å; I155-L159 VanDerWaalsContact O-CG 3.3Å; I155-L159 WeakPolarHBondContact O-CG 3.44Å; I155-L159 PolarHBondContact O-N 3.36Å; I155-I189 HydrophobicContact CD1-CG1 4.21Å; I155-D192 HydrophobicContact CB-CB 4.38Å; I155-D192 HydrophobicContact CG1-CB 4.03Å; I155-D192 HydrophobicContact CG2-CB 3.91Å |
| 156 | N | 98.1 | Very high | 97.4 | Very high | 62 Ų | 62 | 47.3 Ų | 47.3 | 33% | 0.332 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.6 | -46.1 | 179.2 | -74 | -20.3 | 0 | 0 | 0 | 112 | Q152 L158 L159 T160 | Q152-N156 WeakPolarHBondContact O-CB 3.28Å; Q152-N156 PolarHBondContact O-N 3.42Å; Q152-N156 PolarHBondContact O-ND2 3.45Å; N156-L158 PolarHBondContact O-N 3.37Å; N156-L159 PolarHBondContact O-N 3.49Å; N156-T160 WeakPolarHBondContact O-CG2 3.49Å; N156-T160 PolarHBondContact O-N 2.8Å; N156-T160 PolarHBondContact O-OG1 3.04Å |
| 157 | F | 98.4 | Very high | 97.4 | Very high | 21 Ų | 21 | 47.4 Ų | 47.4 | 9% | 0.092 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -53.2 | -54.2 | 173.6 | 175.1 | -85.1 | 0 | 0 | 0 | 110.8 | L111 H114 P116 L117 E153 V154 I155 L159 T160 T161 | L111-F157 HydrophobicContact CD1-CB 3.9Å; L111-F157 HydrophobicContact CD1-CD1 3.56Å; L111-F157 HydrophobicContact CD1-CD2 3.85Å; L111-F157 HydrophobicContact CD1-CE1 4.02Å; L111-F157 HydrophobicContact CD1-CE2 4.23Å; L111-F157 HydrophobicContact CD1-CG 3.49Å; L111-F157 VanDerWaalsContact CD1-CG 3.49Å; L111-F157 HydrophobicContact CD1-CZ 4.33Å; L111-F157 HydrophobicContact CD2-CB 4.1Å; L111-F157 HydrophobicContact CD2-CG 4.45Å; L111-F157 HydrophobicContact CG-CB 4.19Å; L111-F157 HydrophobicContact CG-CD2 3.99Å; L111-F157 HydrophobicContact CG-CG 4Å; H114-F157 HydrophobicContact CB-CE2 4.47Å; H114-F157 AromaticContact CD2-CE2 3.44Å; H114-F157 VanDerWaalsContact CD2-CE2 3.44Å; H114-F157 WeakPolarHBondContact CD2-CE2 3.46Å; P116-F157 HydrophobicContact CB-CE1 3.8Å; P116-F157 HydrophobicContact CB-CZ 4.2Å; P116-F157 HydrophobicContact CG-CE1 3.88Å; P116-F157 HydrophobicContact CG-CZ 4.17Å; L117-F157 HydrophobicContact CD2-CZ 4.38Å; L117-F157 HydrophobicContact CG-CZ 4.27Å; E153-F157 WeakPolarHBondContact O-CB 3.32Å; E153-F157 PolarHBondContact O-N 3.21Å; V154-F157 PolarHBondContact O-N 3.08Å; I155-F157 PolarHBondContact O-N 3.44Å; F157-L159 VanDerWaalsContact C-N 3.3Å; F157-L159 PolarHBondContact O-N 3.3Å; F157-T160 PolarHBondContact O-N 3.37Å; F157-T160 VanDerWaalsContact O-N 3.09Å; F157-T160 PolarHBondContact O-OG1 3.36Å; F157-T161 HydrophobicContact CD1-CG2 4.33Å; F157-T161 HydrophobicContact CE1-CG2 4.04Å; F157-T161 HydrophobicContact CE2-CG2 4.3Å; F157-T161 HydrophobicContact CZ-CG2 4.03Å; F157-T161 WeakPolarHBondContact O-CG2 3.45Å; F157-T161 PolarHBondContact O-N 3.12Å; F157-T161 VanDerWaalsContact O-N 3.08Å; F157-T161 PolarHBondContact O-OG1 2.98Å; F157-T161 VanDerWaalsContact O-OG1 3.08Å |
| 158 | L | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.7 | -34.3 | -177.1 | -75.1 | -178.1 | 0 | 0 | 0 | 113.7 | I143 V147 V154 I155 N156 T161 E162 I163 | I143-L158 HydrophobicContact CG2-CD1 4.23Å; I143-L158 HydrophobicContact CG2-CD2 4.15Å; V147-L158 HydrophobicContact CG1-CD1 3.27Å; V154-L158 HydrophobicContact CG1-CD1 4.06Å; V154-L158 HydrophobicContact CG1-CG 4.45Å; V154-L158 WeakPolarHBondContact O-CB 3.16Å; V154-L158 VanDerWaalsContact O-CG 3.26Å; V154-L158 WeakPolarHBondContact O-CG 3.14Å; V154-L158 PolarHBondContact O-N 3Å; I155-L158 PolarHBondContact O-N 2.65Å; N156-L158 PolarHBondContact O-N 3.37Å; L158-T161 PolarHBondContact O-OG1 3.44Å; L158-E162 PolarHBondContact O-N 3.29Å; L158-I163 HydrophobicContact CB-CB 4.37Å; L158-I163 HydrophobicContact CB-CG2 3.72Å; L158-I163 HydrophobicContact CD2-CB 4.11Å; L158-I163 HydrophobicContact CD2-CG1 4.2Å; L158-I163 HydrophobicContact CD2-CG2 4.28Å; L158-I163 HydrophobicContact CG-CG2 4.39Å; L158-I163 WeakPolarHBondContact O-CG2 3.36Å; L158-I163 PolarHBondContact O-N 3.36Å |
| 159 | L | 97.6 | Very high | 97.5 | Very high | 14 Ų | 14 | 46.1 Ų | 46.1 | 7% | 0.073 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.4 | -45.4 | 174 | -69 | 176.8 | 0 | 0 | 0 | 111.3 | I155 N156 F157 T161 E162 I164 I189 T194 Y198 | I155-L159 HydrophobicContact CG2-CD1 4.07Å; I155-L159 HydrophobicContact CG2-CG 4.27Å; I155-L159 VanDerWaalsContact O-CG 3.3Å; I155-L159 WeakPolarHBondContact O-CG 3.44Å; I155-L159 PolarHBondContact O-N 3.36Å; N156-L159 PolarHBondContact O-N 3.49Å; F157-L159 VanDerWaalsContact C-N 3.3Å; F157-L159 PolarHBondContact O-N 3.3Å; L159-T161 PolarHBondContact O-N 2.98Å; L159-E162 PolarHBondContact O-N 3.19Å; L159-I164 HydrophobicContact CD2-CD1 3.63Å; L159-I189 HydrophobicContact CD2-CG2 3.79Å; L159-T194 HydrophobicContact CD1-CG2 4.24Å; L159-Y198 HydrophobicContact CD1-CG 4.44Å; L159-Y198 HydrophobicContact CD2-CD1 3.68Å; L159-Y198 HydrophobicContact CD2-CE1 4.24Å; L159-Y198 HydrophobicContact CD2-CG 3.86Å |
| 160 | T | 97.4 | Very high | 97.7 | Very high | 113 Ų | 113 | 44 Ų | 44 | 69% | 0.693 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -70 | -19.4 | -179.3 | 59.7 | 0 | 0 | 0 | 0 | 113.8 | N156 F157 | N156-T160 WeakPolarHBondContact O-CG2 3.49Å; N156-T160 PolarHBondContact O-N 2.8Å; N156-T160 PolarHBondContact O-OG1 3.04Å; F157-T160 PolarHBondContact O-N 3.37Å; F157-T160 VanDerWaalsContact O-N 3.09Å; F157-T160 PolarHBondContact O-OG1 3.36Å |
| 161 | T | 97.7 | Very high | 97.9 | Very high | 28 Ų | 28 | 39.5 Ų | 39.5 | 17% | 0.172 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 10.7 | -177.3 | 62.6 | 0 | 0 | 0 | 0 | 113.5 | L117 Y120 F157 L158 L159 | L117-T161 HydrophobicContact CD2-CG2 3.67Å; Y120-T161 WeakPolarHBondContact CE2-O 3.38Å; Y120-T161 PolarHBondContact OH-OG1 3.28Å; F157-T161 HydrophobicContact CD1-CG2 4.33Å; F157-T161 HydrophobicContact CE1-CG2 4.04Å; F157-T161 HydrophobicContact CE2-CG2 4.3Å; F157-T161 HydrophobicContact CZ-CG2 4.03Å; F157-T161 WeakPolarHBondContact O-CG2 3.45Å; F157-T161 PolarHBondContact O-N 3.12Å; F157-T161 VanDerWaalsContact O-N 3.08Å; F157-T161 PolarHBondContact O-OG1 2.98Å; F157-T161 VanDerWaalsContact O-OG1 3.08Å; L158-T161 PolarHBondContact O-OG1 3.44Å; L159-T161 PolarHBondContact O-N 2.98Å |
| 162 | E | 95.5 | Very high | 98 | Very high | 136 Ų | 136 | 40.3 Ų | 40.3 | 64% | 0.636 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63 | 41.1 | 174.3 | -50 | -167 | 120 | 0 | 0 | 115.4 | L158 L159 I164 P165 | L158-E162 PolarHBondContact O-N 3.29Å; L159-E162 PolarHBondContact O-N 3.19Å; E162-I164 VanDerWaalsContact C-N 3.28Å; E162-I164 PolarHBondContact O-N 2.9Å; E162-P165 WeakPolarHBondContact O-CD 3.47Å |
| 163 | I | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66 | -29.4 | 174.5 | -165.3 | 57.8 | 0 | 0 | 0 | 113.1 | Y120 L123 I143 L158 L166 C167 I189 | Y120-I163 HydrophobicContact CD1-CD1 4.38Å; Y120-I163 HydrophobicContact CE1-CD1 3.69Å; L123-I163 HydrophobicContact CD1-CD1 3.98Å; I143-I163 HydrophobicContact CG2-CD1 4.41Å; I143-I163 HydrophobicContact CG2-CG1 4.36Å; L158-I163 HydrophobicContact CB-CB 4.37Å; L158-I163 HydrophobicContact CB-CG2 3.72Å; L158-I163 HydrophobicContact CD2-CB 4.11Å; L158-I163 HydrophobicContact CD2-CG1 4.2Å; L158-I163 HydrophobicContact CD2-CG2 4.28Å; L158-I163 HydrophobicContact CG-CG2 4.39Å; L158-I163 WeakPolarHBondContact O-CG2 3.36Å; L158-I163 PolarHBondContact O-N 3.36Å; I163-L166 HydrophobicContact CD1-CB 4.4Å; I163-L166 HydrophobicContact CD1-CD1 4.18Å; I163-L166 WeakPolarHBondContact O-CB 3.43Å; I163-L166 PolarHBondContact O-N 2.95Å; I163-L166 VanDerWaalsContact O-N 3.17Å; I163-C167 PolarHBondContact O-N 3.41Å; I163-I189 HydrophobicContact CG2-CD1 3.54Å |
| 164 | I | 98.4 | Very high | 98 | Very high | 13 Ų | 13 | 34.8 Ų | 34.8 | 7% | 0.067 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.5 | -51.2 | -171.4 | -69.8 | 165.8 | 0 | 0 | 0 | 111.4 | L159 E162 L166 C167 L168 L186 I189 Y198 I199 | L159-I164 HydrophobicContact CD2-CD1 3.63Å; E162-I164 VanDerWaalsContact C-N 3.28Å; E162-I164 PolarHBondContact O-N 2.9Å; I164-L166 PolarHBondContact O-N 3.45Å; I164-C167 PolarHBondContact O-N 2.86Å; I164-C167 VanDerWaalsContact O-N 3.16Å; I164-L168 HydrophobicContact CG2-CD1 3.9Å; I164-L168 HydrophobicContact CG2-CG 4.17Å; I164-L168 WeakPolarHBondContact O-CG 3.25Å; I164-L168 PolarHBondContact O-N 3.43Å; I164-L186 HydrophobicContact CG1-CD1 4.48Å; I164-L186 HydrophobicContact CG2-CD1 4.43Å; I164-I189 HydrophobicContact CD1-CG2 4.26Å; I164-I189 HydrophobicContact CG1-CD1 4.13Å; I164-Y198 HydrophobicContact CD1-CD1 3.72Å; I164-Y198 HydrophobicContact CD1-CE1 3.71Å; I164-I199 HydrophobicContact CD1-CD1 4.06Å; I164-I199 HydrophobicContact CD1-CG1 3.87Å |
| 165 | P | 98.4 | Very high | 97.9 | Very high | 68 Ų | 68 | 36.3 Ų | 36.3 | 44% | 0.442 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -53 | -38.3 | 174.1 | -29.1 | 34.5 | 0 | 0 | 0 | 114.3 | E162 R169 | E162-P165 WeakPolarHBondContact O-CD 3.47Å; P165-R169 PolarHBondContact O-N 3.37Å; P165-R169 VanDerWaalsContact O-N 3.08Å |
| 166 | L | 98.5 | Very high | 97.8 | Very high | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.8 | -47.5 | 177 | -67.1 | 175.7 | 0 | 0 | 0 | 111.5 | Y120 L123 H124 I163 I164 L168 R169 I170 | Y120-L166 HydrophobicContact CD1-CD1 4Å; Y120-L166 HydrophobicContact CD2-CD1 3.97Å; Y120-L166 HydrophobicContact CG-CD1 3.69Å; L123-L166 HydrophobicContact CB-CB 4.46Å; L123-L166 HydrophobicContact CB-CD1 4.18Å; L123-L166 HydrophobicContact CB-CD2 4.29Å; L123-L166 HydrophobicContact CD1-CD1 4.26Å; H124-L166 HydrophobicContact CB-CD2 4.49Å; H124-L166 VanDerWaalsContact CE1-CD2 3.42Å; H124-L166 WeakPolarHBondContact CE1-CD2 3.32Å; I163-L166 HydrophobicContact CD1-CB 4.4Å; I163-L166 HydrophobicContact CD1-CD1 4.18Å; I163-L166 WeakPolarHBondContact O-CB 3.43Å; I163-L166 PolarHBondContact O-N 2.95Å; I163-L166 VanDerWaalsContact O-N 3.17Å; I164-L166 PolarHBondContact O-N 3.45Å; L166-L168 PolarHBondContact O-N 3.35Å; L166-R169 PolarHBondContact O-N 3.04Å; L166-I170 WeakPolarHBondContact O-CG1 3.33Å; L166-I170 PolarHBondContact O-N 3.05Å; L166-I170 VanDerWaalsContact O-N 3.15Å |
| 167 | C | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.007 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60 | -45.6 | 176 | -73.5 | 0 | 0 | 0 | 0 | 111.6 | I163 I164 R169 I170 M171 A182 | I163-C167 PolarHBondContact O-N 3.41Å; I164-C167 PolarHBondContact O-N 2.86Å; I164-C167 VanDerWaalsContact O-N 3.16Å; C167-R169 PolarHBondContact O-N 2.82Å; C167-I170 PolarHBondContact O-N 2.97Å; C167-M171 WeakPolarHBondContact O-CB 3.4Å; C167-M171 WeakPolarHBondContact O-CG 3.31Å; C167-M171 PolarHBondContact O-N 2.88Å; C167-A182 HydrophobicContact CB-CB 4.34Å |
| 168 | L | 98.7 | Very high | 97.8 | Very high | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.9 | -42 | -179.8 | -68.7 | 179 | 0 | 0 | 0 | 112.4 | I164 L166 I170 M171 E172 L186 V209 I212 | I164-L168 HydrophobicContact CG2-CD1 3.9Å; I164-L168 HydrophobicContact CG2-CG 4.17Å; I164-L168 WeakPolarHBondContact O-CG 3.25Å; I164-L168 PolarHBondContact O-N 3.43Å; L166-L168 PolarHBondContact O-N 3.35Å; L168-I170 VanDerWaalsContact C-N 3.35Å; L168-I170 PolarHBondContact O-N 3.05Å; L168-M171 HydrophobicContact CD2-CE 4.19Å; L168-M171 HydrophobicContact CD2-SD 4.09Å; L168-M171 WeakPolarHBondContact O-CB 3.45Å; L168-M171 PolarHBondContact O-N 3.15Å; L168-E172 PolarHBondContact O-N 3.33Å; L168-L186 HydrophobicContact CD2-CD2 4.08Å; L168-V209 HydrophobicContact CD1-CG2 3.94Å; L168-V209 HydrophobicContact CD2-CG2 4.15Å; L168-I212 HydrophobicContact CB-CG1 4.48Å; L168-I212 HydrophobicContact CD2-CB 4.19Å; L168-I212 HydrophobicContact CD2-CG1 4.38Å; L168-I212 HydrophobicContact CD2-CG2 4.24Å |
| 169 | R | 98.4 | Very high | 97.8 | Very high | 104 Ų | 104 | 43.7 Ų | 43.7 | 39% | 0.392 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.2 | -45.8 | 174.6 | -175.7 | -175.6 | -62.7 | -173.2 | -1.3 | 111.7 | H124 P165 L166 C167 E172 S173 | H124-R169 PolarHBondContact ND1-NH1 3.18Å; H124-R169 PolarHBondContact O-NH1 3.46Å; P165-R169 PolarHBondContact O-N 3.37Å; P165-R169 VanDerWaalsContact O-N 3.08Å; L166-R169 PolarHBondContact O-N 3.04Å; C167-R169 PolarHBondContact O-N 2.82Å; R169-E172 PolarHBondContact O-N 3.45Å; R169-S173 PolarHBondContact O-N 3.26Å; R169-S173 VanDerWaalsContact O-N 3.16Å; R169-S173 PolarHBondContact O-OG 3.06Å |
| 170 | I | 98.6 | Very high | 97.9 | Very high | 6 Ų | 6 | 43.3 Ų | 43.3 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.8 | -38.5 | 179.4 | -66 | 169.4 | 0 | 0 | 0 | 111.1 | L123 L140 L166 C167 L168 E172 G174 K179 A182 | L123-I170 HydrophobicContact CB-CD1 4.25Å; L123-I170 HydrophobicContact CD2-CD1 4.02Å; L140-I170 HydrophobicContact CD1-CD1 4.11Å; L140-I170 HydrophobicContact CD1-CG2 4.05Å; L140-I170 HydrophobicContact CD2-CD1 4.02Å; L140-I170 HydrophobicContact CG-CD1 4.31Å; L166-I170 WeakPolarHBondContact O-CG1 3.33Å; L166-I170 PolarHBondContact O-N 3.05Å; L166-I170 VanDerWaalsContact O-N 3.15Å; C167-I170 PolarHBondContact O-N 2.97Å; L168-I170 VanDerWaalsContact C-N 3.35Å; L168-I170 PolarHBondContact O-N 3.05Å; I170-E172 PolarHBondContact O-N 3.49Å; I170-G174 VanDerWaalsContact O-CA 3.28Å; I170-G174 WeakPolarHBondContact O-CA 3.23Å; I170-G174 PolarHBondContact O-N 3.43Å; I170-K179 WeakPolarHBondContact O-CG 3.43Å; I170-A182 HydrophobicContact CB-CB 4.12Å; I170-A182 HydrophobicContact CG2-CB 3.87Å |
| 171 | M | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.8 | -35.3 | 174.5 | -76 | 167.4 | 60.1 | 0 | 0 | 112.1 | C167 L168 K179 A182 T183 L186 I212 L213 M216 | C167-M171 WeakPolarHBondContact O-CB 3.4Å; C167-M171 WeakPolarHBondContact O-CG 3.31Å; C167-M171 PolarHBondContact O-N 2.88Å; L168-M171 HydrophobicContact CD2-CE 4.19Å; L168-M171 HydrophobicContact CD2-SD 4.09Å; L168-M171 WeakPolarHBondContact O-CB 3.45Å; L168-M171 PolarHBondContact O-N 3.15Å; M171-K179 WeakPolarHBondContact O-CD 3.32Å; M171-K179 WeakPolarHBondContact O-CE 3.42Å; M171-K179 WeakPolarHBondContact O-CG 3.45Å; M171-A182 HydrophobicContact CG-CB 3.86Å; M171-T183 HydrophobicContact CE-CG2 4.25Å; M171-L186 HydrophobicContact CE-CD2 3.63Å; M171-L186 HydrophobicContact SD-CB 4.23Å; M171-L186 HydrophobicContact SD-CD2 3.7Å; M171-I212 HydrophobicContact CB-CG2 3.88Å; M171-I212 HydrophobicContact CE-CG2 4.21Å; M171-L213 HydrophobicContact CE-CD2 3.76Å; M171-L213 HydrophobicContact CE-CG 4.48Å; M171-M216 HydrophobicContact CB-CE 4.47Å; M171-M216 HydrophobicContact CB-SD 3.8Å; M171-M216 HydrophobicContact CE-CE 4.45Å; M171-M216 HydrophobicContact CE-SD 3.5Å; M171-M216 WeakPolarHBondContact CE-SD 3.47Å; M171-M216 HydrophobicContact CG-SD 4.23Å |
| 172 | E | 97.9 | Very high | 98 | Very high | 69 Ų | 69 | 38 Ų | 38 | 32% | 0.322 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -73.6 | -50.1 | 178.6 | -172.5 | 168.3 | -149 | 0 | 0 | 112.6 | L168 R169 I170 K179 I212 K215 | L168-E172 PolarHBondContact O-N 3.33Å; R169-E172 PolarHBondContact O-N 3.45Å; I170-E172 PolarHBondContact O-N 3.49Å; E172-K179 WeakPolarHBondContact O-CE 3.5Å; E172-K179 PolarHBondContact O-NZ 3.2Å; E172-I212 HydrophobicContact CB-CD1 3.98Å; E172-I212 HydrophobicContact CB-CG2 4.45Å; E172-I212 HydrophobicContact CG-CD1 4.12Å; E172-K215 IonicContact OE1-NZ 3.48Å; E172-K215 PolarHBondContact OE1-NZ 3.35Å |
| 173 | S | 96.3 | Very high | 98.2 | Very high | 67 Ų | 67 | 31.6 Ų | 31.6 | 47% | 0.469 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -124.8 | 2.2 | -165.6 | 72.2 | 0 | 0 | 0 | 0 | 116.3 | R169 | R169-S173 PolarHBondContact O-N 3.26Å; R169-S173 VanDerWaalsContact O-N 3.16Å; R169-S173 PolarHBondContact O-OG 3.06Å |
| 174 | G | 97.2 | Very high | 98.2 | Very high | 16 Ų | 16 | 33.3 Ų | 33.3 | 17% | 0.165 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -76.3 | 174 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | I170 K179 | I170-G174 VanDerWaalsContact O-CA 3.28Å; I170-G174 WeakPolarHBondContact O-CA 3.23Å; I170-G174 PolarHBondContact O-N 3.43Å; G174-K179 WeakPolarHBondContact O-CE 3.33Å |
| 175 | S | 96.9 | Very high | 98.2 | Very high | 32 Ų | 32 | 32.7 Ų | 32.7 | 22% | 0.224 | 17% | 0.174 | C | C | . | . | trans | -65.3 | 158.3 | 168.4 | 64.5 | 0 | 0 | 0 | 0 | 111.1 | L177 S178 K179 | S175-L177 VanDerWaalsContact C-N 3.26Å; S175-L177 PolarHBondContact O-N 3.27Å; S175-S178 PolarHBondContact O-N 3.2Å; S175-S178 PolarHBondContact OG-N 2.85Å; S175-S178 PolarHBondContact OG-OG 2.98Å; S175-K179 WeakPolarHBondContact O-CG 3.4Å; S175-K179 PolarHBondContact O-N 3.27Å | ||
| 176 | E | 96.6 | Very high | 98.3 | Very high | 114 Ų | 114 | 29.5 Ų | 29.5 | 53% | 0.533 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -51.9 | -44.7 | -179.4 | -171.7 | -165.4 | 159.7 | 0 | 0 | 112.5 | K179 T180 S225 | E176-K179 PolarHBondContact O-N 3.38Å; E176-T180 WeakPolarHBondContact O-CB 3.41Å; E176-T180 PolarHBondContact O-N 3.03Å; E176-T180 PolarHBondContact O-OG1 2.92Å; E176-S225 VanDerWaalsContact OE1-CB 3.23Å; E176-S225 WeakPolarHBondContact OE1-CB 3.43Å; E176-S225 PolarHBondContact OE1-OG 2.88Å |
| 177 | L | 97.8 | Very high | 98.3 | Very high | 100 Ų | 100 | 30.2 Ų | 30.2 | 52% | 0.524 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -62.9 | -44.2 | 177.1 | -67.1 | 177 | 0 | 0 | 0 | 111.7 | L137 S175 T180 V181 | L137-L177 HydrophobicContact CD1-CB 4Å; L137-L177 HydrophobicContact CD2-CB 4.08Å; L137-L177 HydrophobicContact CD2-CD1 4.04Å; S175-L177 VanDerWaalsContact C-N 3.26Å; S175-L177 PolarHBondContact O-N 3.27Å; L177-T180 WeakPolarHBondContact O-CB 2.98Å; L177-T180 PolarHBondContact O-N 3.47Å; L177-V181 WeakPolarHBondContact O-CG2 3.24Å; L177-V181 PolarHBondContact O-N 2.94Å |
| 178 | S | 98.5 | Very high | 98.3 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.007 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.8 | -42.1 | 178.5 | -55.8 | 0 | 0 | 0 | 0 | 111.5 | S175 T180 V181 A182 | S175-S178 PolarHBondContact O-N 3.2Å; S175-S178 PolarHBondContact OG-N 2.85Å; S175-S178 PolarHBondContact OG-OG 2.98Å; S178-T180 VanDerWaalsContact C-N 3.29Å; S178-T180 PolarHBondContact O-N 2.88Å; S178-V181 PolarHBondContact O-N 3.26Å; S178-A182 VanDerWaalsContact O-CB 3.28Å; S178-A182 WeakPolarHBondContact O-CB 3.46Å; S178-A182 PolarHBondContact O-N 3.24Å |
| 179 | K | 98.8 | Very high | 98.3 | Very high | 26 Ų | 26 | 31.2 Ų | 31.2 | 11% | 0.113 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.1 | -44 | 173.7 | -72.6 | -177.8 | 173.4 | 175.4 | 0 | 110.9 | I170 M171 E172 G174 S175 E176 A182 T183 L228 | I170-K179 WeakPolarHBondContact O-CG 3.43Å; M171-K179 WeakPolarHBondContact O-CD 3.32Å; M171-K179 WeakPolarHBondContact O-CE 3.42Å; M171-K179 WeakPolarHBondContact O-CG 3.45Å; E172-K179 WeakPolarHBondContact O-CE 3.5Å; E172-K179 PolarHBondContact O-NZ 3.2Å; G174-K179 WeakPolarHBondContact O-CE 3.33Å; S175-K179 WeakPolarHBondContact O-CG 3.4Å; S175-K179 PolarHBondContact O-N 3.27Å; E176-K179 PolarHBondContact O-N 3.38Å; K179-A182 PolarHBondContact O-N 3.36Å; K179-T183 VanDerWaalsContact O-CB 3.32Å; K179-T183 WeakPolarHBondContact O-CB 3.39Å; K179-T183 PolarHBondContact O-N 3.28Å; K179-T183 PolarHBondContact O-OG1 3.32Å; K179-L228 HydrophobicContact CB-CD1 4.12Å; K179-L228 HydrophobicContact CB-CD2 4.06Å; K179-L228 HydrophobicContact CD-CD2 4.41Å |
| 180 | T | 98.8 | Very high | 98.3 | Very high | 6 Ų | 6 | 26.3 Ų | 26.3 | 4% | 0.037 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.3 | -49.2 | 178.4 | -59.9 | 0 | 0 | 0 | 0 | 111.8 | E176 L177 S178 F184 R227 | E176-T180 WeakPolarHBondContact O-CB 3.41Å; E176-T180 PolarHBondContact O-N 3.03Å; E176-T180 PolarHBondContact O-OG1 2.92Å; L177-T180 WeakPolarHBondContact O-CB 2.98Å; L177-T180 PolarHBondContact O-N 3.47Å; S178-T180 VanDerWaalsContact C-N 3.29Å; S178-T180 PolarHBondContact O-N 2.88Å; T180-F184 WeakPolarHBondContact O-CB 3.34Å; T180-F184 PolarHBondContact O-N 3.45Å; T180-R227 HydrophobicContact CG2-CG 3.73Å |
| 181 | V | 98.8 | Very high | 98.3 | Very high | 31 Ų | 31 | 28.4 Ų | 28.4 | 19% | 0.188 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -69.6 | -41.2 | -179.5 | -175.2 | 0 | 0 | 0 | 0 | 111.5 | L137 L140 L177 S178 T183 F184 I185 | L137-V181 HydrophobicContact CD1-CG2 4.04Å; L140-V181 HydrophobicContact CB-CB 4.21Å; L140-V181 HydrophobicContact CB-CG1 3.7Å; L140-V181 HydrophobicContact CD1-CB 4.46Å; L177-V181 WeakPolarHBondContact O-CG2 3.24Å; L177-V181 PolarHBondContact O-N 2.94Å; S178-V181 PolarHBondContact O-N 3.26Å; V181-T183 PolarHBondContact O-N 2.65Å; V181-F184 WeakPolarHBondContact O-CB 3.45Å; V181-F184 PolarHBondContact O-N 3.42Å; V181-I185 HydrophobicContact CG1-CD1 4.16Å; V181-I185 WeakPolarHBondContact O-CG1 3.31Å; V181-I185 PolarHBondContact O-N 2.63Å |
| 182 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.9 | -41.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L140 C167 I170 M171 S178 K179 F184 I185 L186 | L140-A182 HydrophobicContact CD1-CB 4.49Å; L140-A182 HydrophobicContact CD2-CB 4.39Å; C167-A182 HydrophobicContact CB-CB 4.34Å; I170-A182 HydrophobicContact CB-CB 4.12Å; I170-A182 HydrophobicContact CG2-CB 3.87Å; M171-A182 HydrophobicContact CG-CB 3.86Å; S178-A182 VanDerWaalsContact O-CB 3.28Å; S178-A182 WeakPolarHBondContact O-CB 3.46Å; S178-A182 PolarHBondContact O-N 3.24Å; K179-A182 PolarHBondContact O-N 3.36Å; A182-F184 VanDerWaalsContact C-N 3.35Å; A182-I185 PolarHBondContact O-N 2.71Å; A182-L186 PolarHBondContact O-N 3.26Å |
| 183 | T | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.8 | -36.8 | 175.5 | -47.2 | 0 | 0 | 0 | 0 | 111.1 | M171 K179 V181 L186 Q187 M216 H231 V232 | M171-T183 HydrophobicContact CE-CG2 4.25Å; K179-T183 VanDerWaalsContact O-CB 3.32Å; K179-T183 WeakPolarHBondContact O-CB 3.39Å; K179-T183 PolarHBondContact O-N 3.28Å; K179-T183 PolarHBondContact O-OG1 3.32Å; V181-T183 PolarHBondContact O-N 2.65Å; T183-L186 PolarHBondContact O-N 2.66Å; T183-Q187 VanDerWaalsContact O-CB 3.3Å; T183-Q187 WeakPolarHBondContact O-CB 3.32Å; T183-Q187 PolarHBondContact O-N 3.49Å; T183-M216 HydrophobicContact CG2-CE 4.44Å; T183-M216 VanDerWaalsContact OG1-CE 3.25Å; T183-M216 WeakPolarHBondContact OG1-CE 3.4Å; T183-H231 HydrophobicContact CG2-CB 3.61Å; T183-V232 HydrophobicContact CG2-CG2 4.18Å |
| 184 | F | 98.8 | Very high | 98.4 | Very high | 37 Ų | 37 | 31.5 Ų | 31.5 | 16% | 0.162 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.5 | -42.2 | 172.9 | 168.4 | -103.7 | 0 | 0 | 0 | 112.2 | V147 K148 T180 V181 A182 Q187 K188 H231 | V147-F184 HydrophobicContact CG2-CE1 4.02Å; K148-F184 HydrophobicContact CG-CE1 4.05Å; K148-F184 HydrophobicContact CG-CZ 3.75Å; T180-F184 WeakPolarHBondContact O-CB 3.34Å; T180-F184 PolarHBondContact O-N 3.45Å; V181-F184 WeakPolarHBondContact O-CB 3.45Å; V181-F184 PolarHBondContact O-N 3.42Å; A182-F184 VanDerWaalsContact C-N 3.35Å; F184-Q187 WeakPolarHBondContact O-CB 3.46Å; F184-Q187 PolarHBondContact O-N 3.09Å; F184-K188 HydrophobicContact CD2-CG 4.47Å; F184-K188 HydrophobicContact CE1-CG 4.33Å; F184-K188 HydrophobicContact CE2-CD 4.38Å; F184-K188 HydrophobicContact CE2-CG 3.96Å; F184-K188 HydrophobicContact CZ-CD 4.38Å; F184-K188 HydrophobicContact CZ-CG 3.87Å; F184-K188 WeakPolarHBondContact O-CG 3.44Å; F184-K188 PolarHBondContact O-N 2.98Å; F184-H231 AromaticContact CD2-CE1 3.6Å |
| 185 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.9 | -49 | 175.3 | -67.2 | 160 | 0 | 0 | 0 | 110.4 | L140 I143 V147 V181 A182 Q187 K188 I189 | L140-I185 HydrophobicContact CD2-CD1 3.84Å; I143-I185 HydrophobicContact CB-CD1 3.89Å; I143-I185 HydrophobicContact CG2-CD1 3.8Å; I143-I185 HydrophobicContact CG2-CG1 4.23Å; I143-I185 HydrophobicContact CG2-CG2 4.07Å; V147-I185 HydrophobicContact CG1-CG2 4.46Å; V147-I185 HydrophobicContact CG2-CG1 4.11Å; V181-I185 HydrophobicContact CG1-CD1 4.16Å; V181-I185 WeakPolarHBondContact O-CG1 3.31Å; V181-I185 PolarHBondContact O-N 2.63Å; A182-I185 PolarHBondContact O-N 2.71Å; I185-Q187 VanDerWaalsContact C-N 3.27Å; I185-Q187 PolarHBondContact O-N 3.32Å; I185-K188 PolarHBondContact O-N 3.21Å; I185-K188 VanDerWaalsContact O-N 3.15Å; I185-I189 HydrophobicContact CG2-CD1 4.09Å; I185-I189 WeakPolarHBondContact O-CG1 3.11Å; I185-I189 PolarHBondContact O-N 3.1Å |
| 186 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.9 | -40.1 | 176 | -178.1 | 67.1 | 0 | 0 | 0 | 111.8 | I164 L168 M171 A182 T183 I189 L190 I199 V209 | I164-L186 HydrophobicContact CG1-CD1 4.48Å; I164-L186 HydrophobicContact CG2-CD1 4.43Å; L168-L186 HydrophobicContact CD2-CD2 4.08Å; M171-L186 HydrophobicContact CE-CD2 3.63Å; M171-L186 HydrophobicContact SD-CB 4.23Å; M171-L186 HydrophobicContact SD-CD2 3.7Å; A182-L186 PolarHBondContact O-N 3.26Å; T183-L186 PolarHBondContact O-N 2.66Å; L186-I189 PolarHBondContact O-N 3.37Å; L186-L190 HydrophobicContact CG-CD1 4.15Å; L186-L190 WeakPolarHBondContact O-CB 3.4Å; L186-L190 WeakPolarHBondContact O-CG 3.28Å; L186-L190 PolarHBondContact O-N 3.36Å; L186-I199 HydrophobicContact CD1-CD1 3.82Å; L186-V209 HydrophobicContact CD2-CG1 4.14Å |
| 187 | Q | 98.8 | Very high | 98.6 | Very high | 20 Ų | 20 | 27 Ų | 27 | 9% | 0.093 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.3 | -47.8 | 175.8 | -173.2 | -159.6 | -69.2 | 0 | 0 | 110.7 | T183 F184 I185 I189 L190 L191 H231 R234 | T183-Q187 VanDerWaalsContact O-CB 3.3Å; T183-Q187 WeakPolarHBondContact O-CB 3.32Å; T183-Q187 PolarHBondContact O-N 3.49Å; F184-Q187 WeakPolarHBondContact O-CB 3.46Å; F184-Q187 PolarHBondContact O-N 3.09Å; I185-Q187 VanDerWaalsContact C-N 3.27Å; I185-Q187 PolarHBondContact O-N 3.32Å; Q187-I189 VanDerWaalsContact C-N 3.33Å; Q187-I189 PolarHBondContact O-N 3.36Å; Q187-L190 PolarHBondContact O-N 2.94Å; Q187-L191 HydrophobicContact CG-CD1 4.39Å; Q187-L191 VanDerWaalsContact O-CG 3.26Å; Q187-L191 WeakPolarHBondContact O-CG 3.44Å; Q187-L191 PolarHBondContact O-N 2.73Å; Q187-H231 PolarHBondContact OE1-ND1 3.22Å; Q187-R234 HydrophobicContact CG-CB 4.09Å; Q187-R234 HydrophobicContact CG-CG 3.73Å |
| 188 | K | 98.8 | Very high | 98.7 | Very high | 27 Ų | 27 | 25.3 Ų | 25.3 | 12% | 0.117 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.3 | -40.8 | 178.6 | -74.7 | -69.4 | -163.5 | 171.4 | 0 | 112.1 | V147 D150 F184 I185 L191 D192 | V147-K188 HydrophobicContact CB-CB 3.79Å; V147-K188 HydrophobicContact CB-CG 4.13Å; V147-K188 HydrophobicContact CG2-CB 3.95Å; V147-K188 HydrophobicContact CG2-CG 3.93Å; V147-K188 WeakPolarHBondContact O-CD 3.42Å; V147-K188 WeakPolarHBondContact O-CE 3.39Å; V147-K188 WeakPolarHBondContact O-CG 3.43Å; D150-K188 WeakPolarHBondContact OD1-CD 3.21Å; D150-K188 WeakPolarHBondContact OD1-CE 3.4Å; D150-K188 IonicContact OD1-NZ 3.84Å; D150-K188 PolarHBondContact OD1-NZ 3.29Å; D150-K188 IonicContact OD2-NZ 3.85Å; D150-K188 PolarHBondContact OD2-NZ 3.33Å; F184-K188 HydrophobicContact CD2-CG 4.47Å; F184-K188 HydrophobicContact CE1-CG 4.33Å; F184-K188 HydrophobicContact CE2-CD 4.38Å; F184-K188 HydrophobicContact CE2-CG 3.96Å; F184-K188 HydrophobicContact CZ-CD 4.38Å; F184-K188 HydrophobicContact CZ-CG 3.87Å; F184-K188 WeakPolarHBondContact O-CG 3.44Å; F184-K188 PolarHBondContact O-N 2.98Å; I185-K188 PolarHBondContact O-N 3.21Å; I185-K188 VanDerWaalsContact O-N 3.15Å; K188-L191 HydrophobicContact CD-CD1 4.27Å; K188-L191 PolarHBondContact O-N 3.27Å; K188-D192 PolarHBondContact O-N 3.4Å |
| 189 | I | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61 | -46.6 | 172.7 | -65.1 | 167.1 | 0 | 0 | 0 | 111.1 | I155 L159 I163 I164 I185 L186 Q187 L191 D192 G195 I199 | I155-I189 HydrophobicContact CD1-CG1 4.21Å; L159-I189 HydrophobicContact CD2-CG2 3.79Å; I163-I189 HydrophobicContact CG2-CD1 3.54Å; I164-I189 HydrophobicContact CD1-CG2 4.26Å; I164-I189 HydrophobicContact CG1-CD1 4.13Å; I185-I189 HydrophobicContact CG2-CD1 4.09Å; I185-I189 WeakPolarHBondContact O-CG1 3.11Å; I185-I189 PolarHBondContact O-N 3.1Å; L186-I189 PolarHBondContact O-N 3.37Å; Q187-I189 VanDerWaalsContact C-N 3.33Å; Q187-I189 PolarHBondContact O-N 3.36Å; I189-L191 VanDerWaalsContact C-N 3.28Å; I189-L191 PolarHBondContact O-N 3.3Å; I189-D192 PolarHBondContact O-N 3.05Å; I189-G195 WeakPolarHBondContact O-CA 3.41Å; I189-I199 HydrophobicContact CG2-CD1 4.34Å |
| 190 | L | 98.7 | Very high | 98.6 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.2 | -31.7 | 178.5 | -79.9 | 168.7 | 0 | 0 | 0 | 112.9 | L186 Q187 D192 L196 I199 C235 R238 L239 | L186-L190 HydrophobicContact CG-CD1 4.15Å; L186-L190 WeakPolarHBondContact O-CB 3.4Å; L186-L190 WeakPolarHBondContact O-CG 3.28Å; L186-L190 PolarHBondContact O-N 3.36Å; Q187-L190 PolarHBondContact O-N 2.94Å; L190-D192 VanDerWaalsContact C-N 3.28Å; L190-D192 PolarHBondContact O-N 3.44Å; L190-L196 HydrophobicContact CD2-CD1 4Å; L190-I199 HydrophobicContact CD2-CB 4.29Å; L190-I199 HydrophobicContact CD2-CD1 3.47Å; L190-I199 VanDerWaalsContact CD2-CD1 3.47Å; L190-I199 HydrophobicContact CD2-CG1 4.45Å; L190-I199 HydrophobicContact CD2-CG2 4.29Å; L190-I199 HydrophobicContact CG-CD1 3.78Å; L190-C235 HydrophobicContact CD1-CB 3.73Å; L190-R238 HydrophobicContact CB-CB 4.33Å; L190-R238 HydrophobicContact CB-CG 3.89Å; L190-R238 WeakPolarHBondContact O-CD 3.37Å; L190-R238 WeakPolarHBondContact O-CG 3.37Å; L190-R238 PolarHBondContact O-NE 3.24Å; L190-L239 HydrophobicContact CD1-CG 4.31Å; L190-L239 HydrophobicContact CD2-CD2 3.62Å; L190-L239 HydrophobicContact CD2-CG 4.1Å |
| 191 | L | 98.6 | Very high | 98.6 | Very high | 49 Ų | 49 | 29.8 Ų | 29.8 | 26% | 0.257 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -65 | -33.7 | 179.4 | -74.7 | 174.5 | 0 | 0 | 0 | 112.3 | Q187 K188 I189 R238 | Q187-L191 HydrophobicContact CG-CD1 4.39Å; Q187-L191 VanDerWaalsContact O-CG 3.26Å; Q187-L191 WeakPolarHBondContact O-CG 3.44Å; Q187-L191 PolarHBondContact O-N 2.73Å; K188-L191 HydrophobicContact CD-CD1 4.27Å; K188-L191 PolarHBondContact O-N 3.27Å; I189-L191 VanDerWaalsContact C-N 3.28Å; I189-L191 PolarHBondContact O-N 3.3Å; L191-R238 PolarHBondContact O-NH2 3.29Å |
| 192 | D | 98.6 | Very high | 98.5 | Very high | 31 Ų | 31 | 30.8 Ų | 30.8 | 17% | 0.166 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -70.9 | 140.3 | 172 | -177.3 | -97.1 | 0 | 0 | 0 | 111.3 | I155 K188 I189 L190 T194 G195 L196 | I155-D192 HydrophobicContact CB-CB 4.38Å; I155-D192 HydrophobicContact CG1-CB 4.03Å; I155-D192 HydrophobicContact CG2-CB 3.91Å; K188-D192 PolarHBondContact O-N 3.4Å; I189-D192 PolarHBondContact O-N 3.05Å; L190-D192 VanDerWaalsContact C-N 3.28Å; L190-D192 PolarHBondContact O-N 3.44Å; D192-T194 VanDerWaalsContact C-N 3.32Å; D192-T194 PolarHBondContact O-N 3.36Å; D192-T194 VanDerWaalsContact OD1-CA 3.27Å; D192-T194 WeakPolarHBondContact OD1-CA 3.16Å; D192-T194 WeakPolarHBondContact OD1-CB 3.47Å; D192-T194 PolarHBondContact OD1-N 3.16Å; D192-T194 PolarHBondContact OD1-OG1 3.28Å; D192-G195 PolarHBondContact O-N 3.11Å; D192-G195 PolarHBondContact OD1-N 3.42Å; D192-G195 VanDerWaalsContact OD1-N 3.15Å; D192-L196 PolarHBondContact O-N 3.25Å |
| 193 | D | 98.4 | Very high | 98.3 | Very high | 120 Ų | 120 | 38.3 Ų | 38.3 | 64% | 0.642 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -65.6 | -35.9 | -178.8 | -71.6 | -35.5 | 0 | 0 | 0 | 112.1 | A197 R238 | D193-A197 VanDerWaalsContact O-CB 3.26Å; D193-A197 WeakPolarHBondContact O-CB 3.44Å; D193-A197 PolarHBondContact O-N 2.88Å; D193-R238 IonicContact OD1-CZ 2.95Å; D193-R238 IonicContact OD1-NH2 2.99Å; D193-R238 PolarHBondContact OD1-NH2 3.14Å |
| 194 | T | 98.2 | Very high | 98.3 | Very high | 51 Ų | 51 | 45.9 Ų | 45.9 | 31% | 0.313 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.8 | -44 | 176.2 | -31.2 | 0 | 0 | 0 | 0 | 110.4 | Q152 L159 D192 A197 Y198 | Q152-T194 PolarHBondContact NE2-OG1 3.32Å; L159-T194 HydrophobicContact CD1-CG2 4.24Å; D192-T194 VanDerWaalsContact C-N 3.32Å; D192-T194 PolarHBondContact O-N 3.36Å; D192-T194 VanDerWaalsContact OD1-CA 3.27Å; D192-T194 WeakPolarHBondContact OD1-CA 3.16Å; D192-T194 WeakPolarHBondContact OD1-CB 3.47Å; D192-T194 PolarHBondContact OD1-N 3.16Å; D192-T194 PolarHBondContact OD1-OG1 3.28Å; T194-A197 PolarHBondContact O-N 3.43Å; T194-Y198 VanDerWaalsContact O-CB 3.3Å; T194-Y198 WeakPolarHBondContact O-CB 3.27Å; T194-Y198 PolarHBondContact O-N 2.99Å |
| 195 | G | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.1 | -41.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | I189 D192 Y198 I199 | I189-G195 WeakPolarHBondContact O-CA 3.41Å; D192-G195 PolarHBondContact O-N 3.11Å; D192-G195 PolarHBondContact OD1-N 3.42Å; D192-G195 VanDerWaalsContact OD1-N 3.15Å; G195-Y198 PolarHBondContact O-N 3.35Å; G195-I199 PolarHBondContact O-N 3.01Å; G195-I199 VanDerWaalsContact O-N 3.08Å |
| 196 | L | 98.7 | Very high | 98.2 | Very high | 12 Ų | 12 | 48.7 Ų | 48.7 | 6% | 0.063 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.7 | -49.1 | 172 | 178.9 | 61.7 | 0 | 0 | 0 | 111.2 | L190 D192 Y198 I199 C200 L239 D241 N242 | L190-L196 HydrophobicContact CD2-CD1 4Å; D192-L196 PolarHBondContact O-N 3.25Å; L196-Y198 VanDerWaalsContact C-N 3.3Å; L196-Y198 PolarHBondContact O-N 2.99Å; L196-I199 PolarHBondContact O-N 3.46Å; L196-C200 WeakPolarHBondContact O-CB 3.49Å; L196-C200 PolarHBondContact O-N 3.43Å; L196-L239 HydrophobicContact CD1-CD2 4.22Å; L196-D241 HydrophobicContact CD2-CB 4.19Å; L196-N242 HydrophobicContact CD1-CB 4.32Å; L196-N242 HydrophobicContact CD2-CB 4.38Å; L196-N242 HydrophobicContact CG-CB 4.41Å |
| 197 | A | 98.4 | Very high | 98.1 | Very high | 55 Ų | 55 | 50.7 Ų | 50.7 | 46% | 0.455 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.8 | -41.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D193 T194 C200 Q201 | D193-A197 VanDerWaalsContact O-CB 3.26Å; D193-A197 WeakPolarHBondContact O-CB 3.44Å; D193-A197 PolarHBondContact O-N 2.88Å; T194-A197 PolarHBondContact O-N 3.43Å; A197-C200 CarbonylContact O-C 3.45Å; A197-C200 PolarHBondContact O-N 2.74Å; A197-Q201 WeakPolarHBondContact O-CA 3.25Å; A197-Q201 WeakPolarHBondContact O-CB 3.23Å; A197-Q201 PolarHBondContact O-N 3.31Å |
| 198 | Y | 98.4 | Very high | 98.1 | Very high | 65 Ų | 65 | 53.8 Ų | 53.8 | 26% | 0.255 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.7 | -47 | 177.7 | 178.8 | -90.5 | 0 | 0 | 0 | 112.8 | L159 I164 T194 G195 L196 Q201 R205 | L159-Y198 HydrophobicContact CD1-CG 4.44Å; L159-Y198 HydrophobicContact CD2-CD1 3.68Å; L159-Y198 HydrophobicContact CD2-CE1 4.24Å; L159-Y198 HydrophobicContact CD2-CG 3.86Å; I164-Y198 HydrophobicContact CD1-CD1 3.72Å; I164-Y198 HydrophobicContact CD1-CE1 3.71Å; T194-Y198 VanDerWaalsContact O-CB 3.3Å; T194-Y198 WeakPolarHBondContact O-CB 3.27Å; T194-Y198 PolarHBondContact O-N 2.99Å; G195-Y198 PolarHBondContact O-N 3.35Å; L196-Y198 VanDerWaalsContact C-N 3.3Å; L196-Y198 PolarHBondContact O-N 2.99Å; Y198-Q201 WeakPolarHBondContact O-CB 3.47Å; Y198-Q201 PolarHBondContact O-N 2.64Å; Y198-R205 VanDerWaalsContact CE2-NH1 3.35Å; Y198-R205 WeakPolarHBondContact O-CD 3.28Å; Y198-R205 PolarHBondContact O-NH1 3.39Å; Y198-R205 VanDerWaalsContact O-NH1 3.13Å |
| 199 | I | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.2 | -40 | 179.9 | -73.3 | 169.9 | 0 | 0 | 0 | 110.7 | I164 L186 I189 L190 G195 L196 Q201 R205 F206 V209 L239 | I164-I199 HydrophobicContact CD1-CD1 4.06Å; I164-I199 HydrophobicContact CD1-CG1 3.87Å; L186-I199 HydrophobicContact CD1-CD1 3.82Å; I189-I199 HydrophobicContact CG2-CD1 4.34Å; L190-I199 HydrophobicContact CD2-CB 4.29Å; L190-I199 HydrophobicContact CD2-CD1 3.47Å; L190-I199 VanDerWaalsContact CD2-CD1 3.47Å; L190-I199 HydrophobicContact CD2-CG1 4.45Å; L190-I199 HydrophobicContact CD2-CG2 4.29Å; L190-I199 HydrophobicContact CG-CD1 3.78Å; G195-I199 PolarHBondContact O-N 3.01Å; G195-I199 VanDerWaalsContact O-N 3.08Å; L196-I199 PolarHBondContact O-N 3.46Å; I199-Q201 VanDerWaalsContact C-N 3.31Å; I199-R205 VanDerWaalsContact O-CB 3.32Å; I199-R205 WeakPolarHBondContact O-CB 3.5Å; I199-F206 PolarHBondContact O-N 2.81Å; I199-F206 VanDerWaalsContact O-N 3.16Å; I199-V209 HydrophobicContact CG2-CB 4.38Å; I199-V209 HydrophobicContact CG2-CG2 3.95Å; I199-L239 HydrophobicContact CG2-CD2 4.07Å |
| 200 | C | 98.2 | Very high | 98.1 | Very high | 8 Ų | 8 | 53 Ų | 53 | 5% | 0.054 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 3.2 | 179.8 | -63.2 | 0 | 0 | 0 | 0 | 114 | L196 A197 N242 | L196-C200 WeakPolarHBondContact O-CB 3.49Å; L196-C200 PolarHBondContact O-N 3.43Å; A197-C200 CarbonylContact O-C 3.45Å; A197-C200 PolarHBondContact O-N 2.74Å; C200-N242 HydrophobicContact CB-CB 4.23Å |
| 201 | Q | 97.5 | Very high | 98.1 | Very high | 117 Ų | 117 | 57.2 Ų | 57.2 | 55% | 0.547 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -63.1 | -46.8 | -176.8 | -170.9 | 177 | 26.9 | 0 | 0 | 111.5 | A197 Y198 I199 R244 | A197-Q201 WeakPolarHBondContact O-CA 3.25Å; A197-Q201 WeakPolarHBondContact O-CB 3.23Å; A197-Q201 PolarHBondContact O-N 3.31Å; Y198-Q201 WeakPolarHBondContact O-CB 3.47Å; Y198-Q201 PolarHBondContact O-N 2.64Å; I199-Q201 VanDerWaalsContact C-N 3.31Å; Q201-R244 PolarHBondContact O-NH1 3.19Å |
| 202 | T | 97.5 | Very high | 98.1 | Very high | 51 Ų | 51 | 55 Ų | 55 | 31% | 0.313 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -118.8 | 150.2 | 179.2 | 73.5 | 0 | 0 | 0 | 0 | 110.5 | E204 R205 F206 | T202-E204 VanDerWaalsContact C-N 3.26Å; T202-E204 PolarHBondContact O-N 3.17Å; T202-R205 PolarHBondContact O-N 3.31Å; T202-R205 WeakPolarHBondContact OG1-CG 3.38Å; T202-R205 PolarHBondContact OG1-N 2.96Å; T202-F206 PolarHBondContact O-N 3.24Å |
| 203 | Y | 95.1 | Very high | 98.1 | Very high | 158 Ų | 158 | 53.5 Ų | 53.5 | 62% | 0.62 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -60.2 | -38.7 | 175.8 | 178.4 | -98.4 | 0 | 0 | 0 | 111.6 | F206 S207 | Y203-F206 PolarHBondContact O-N 2.88Å; Y203-S207 WeakPolarHBondContact O-CB 3.45Å; Y203-S207 PolarHBondContact O-N 3.49Å |
| 204 | E | 97.2 | Very high | 98.1 | Very high | 159 Ų | 159 | 48.7 Ų | 48.7 | 74% | 0.743 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -60.8 | -46.6 | 179.9 | -65.8 | 175.1 | 179.8 | 0 | 0 | 112.8 | T202 S207 H208 | T202-E204 VanDerWaalsContact C-N 3.26Å; T202-E204 PolarHBondContact O-N 3.17Å; E204-S207 PolarHBondContact O-N 2.97Å; E204-H208 WeakPolarHBondContact O-CB 3.45Å; E204-H208 PolarHBondContact O-N 2.9Å |
| 205 | R | 97.8 | Very high | 98.1 | Very high | 84 Ų | 84 | 50.2 Ų | 50.2 | 32% | 0.317 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.2 | -49.5 | 178.8 | -73.8 | -179.7 | -170.8 | 159.5 | 5.6 | 111.2 | Y198 I199 T202 H208 V209 | Y198-R205 VanDerWaalsContact CE2-NH1 3.35Å; Y198-R205 WeakPolarHBondContact O-CD 3.28Å; Y198-R205 PolarHBondContact O-NH1 3.39Å; Y198-R205 VanDerWaalsContact O-NH1 3.13Å; I199-R205 VanDerWaalsContact O-CB 3.32Å; I199-R205 WeakPolarHBondContact O-CB 3.5Å; T202-R205 PolarHBondContact O-N 3.31Å; T202-R205 WeakPolarHBondContact OG1-CG 3.38Å; T202-R205 PolarHBondContact OG1-N 2.96Å; R205-H208 PolarHBondContact O-N 3.41Å; R205-V209 WeakPolarHBondContact O-CG2 3.45Å; R205-V209 PolarHBondContact O-N 3.17Å; R205-V209 VanDerWaalsContact O-N 3.16Å |
| 206 | F | 98.3 | Very high | 98.2 | Very high | 12 Ų | 12 | 50.3 Ų | 50.3 | 5% | 0.053 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.5 | -49.8 | 176.7 | 163.1 | -96.3 | 0 | 0 | 0 | 111.5 | I199 T202 Y203 H208 V209 A210 L239 A245 A248 L249 | I199-F206 PolarHBondContact O-N 2.81Å; I199-F206 VanDerWaalsContact O-N 3.16Å; T202-F206 PolarHBondContact O-N 3.24Å; Y203-F206 PolarHBondContact O-N 2.88Å; F206-H208 VanDerWaalsContact C-N 3.31Å; F206-H208 PolarHBondContact O-N 2.83Å; F206-V209 PolarHBondContact O-N 2.99Å; F206-V209 VanDerWaalsContact O-N 3.17Å; F206-A210 HydrophobicContact CE1-CB 4.29Å; F206-A210 HydrophobicContact CE2-CB 4.28Å; F206-A210 HydrophobicContact CZ-CB 4Å; F206-A210 WeakPolarHBondContact O-CB 3.3Å; F206-A210 PolarHBondContact O-N 3.14Å; F206-L239 HydrophobicContact CD2-CD2 4.31Å; F206-A245 HydrophobicContact CD2-CB 3.7Å; F206-A245 HydrophobicContact CE2-CB 3.54Å; F206-A245 HydrophobicContact CZ-CB 4.31Å; F206-A248 HydrophobicContact CD1-CB 4.31Å; F206-A248 HydrophobicContact CE1-CB 3.36Å; F206-A248 HydrophobicContact CZ-CB 3.7Å; F206-L249 HydrophobicContact CE2-CD2 4.44Å; F206-L249 HydrophobicContact CE2-CG 4.25Å; F206-L249 HydrophobicContact CZ-CD2 4.2Å; F206-L249 HydrophobicContact CZ-CG 4.07Å |
| 207 | S | 97.9 | Very high | 98.1 | Very high | 42 Ų | 42 | 49.7 Ų | 49.7 | 29% | 0.294 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.8 | -41.5 | -176.5 | -178.6 | 0 | 0 | 0 | 0 | 111.4 | Y203 E204 A210 M211 | Y203-S207 WeakPolarHBondContact O-CB 3.45Å; Y203-S207 PolarHBondContact O-N 3.49Å; E204-S207 PolarHBondContact O-N 2.97Å; S207-A210 PolarHBondContact O-N 3.04Å; S207-M211 VanDerWaalsContact O-CB 3.24Å; S207-M211 WeakPolarHBondContact O-CB 3.34Å; S207-M211 PolarHBondContact O-N 3.29Å |
| 208 | H | 98.4 | Very high | 98.1 | Very high | 85 Ų | 85 | 51.1 Ų | 51.1 | 39% | 0.394 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.4 | -46.8 | 175.2 | -171.6 | -169.3 | 0 | 0 | 0 | 111.7 | E204 R205 F206 M211 I212 | E204-H208 WeakPolarHBondContact O-CB 3.45Å; E204-H208 PolarHBondContact O-N 2.9Å; R205-H208 PolarHBondContact O-N 3.41Å; F206-H208 VanDerWaalsContact C-N 3.31Å; F206-H208 PolarHBondContact O-N 2.83Å; H208-M211 PolarHBondContact O-N 3.43Å; H208-I212 VanDerWaalsContact O-CG1 3.26Å; H208-I212 WeakPolarHBondContact O-CG1 3.41Å; H208-I212 PolarHBondContact O-N 3.04Å; H208-I212 VanDerWaalsContact O-N 3.1Å |
| 209 | V | 98.7 | Very high | 98.1 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.012 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.4 | -48.7 | 176.4 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | L168 L186 I199 R205 F206 M211 I212 L213 L239 | L168-V209 HydrophobicContact CD1-CG2 3.94Å; L168-V209 HydrophobicContact CD2-CG2 4.15Å; L186-V209 HydrophobicContact CD2-CG1 4.14Å; I199-V209 HydrophobicContact CG2-CB 4.38Å; I199-V209 HydrophobicContact CG2-CG2 3.95Å; R205-V209 WeakPolarHBondContact O-CG2 3.45Å; R205-V209 PolarHBondContact O-N 3.17Å; R205-V209 VanDerWaalsContact O-N 3.16Å; F206-V209 PolarHBondContact O-N 2.99Å; F206-V209 VanDerWaalsContact O-N 3.17Å; V209-M211 PolarHBondContact O-N 3.47Å; V209-I212 PolarHBondContact O-N 3.21Å; V209-L213 HydrophobicContact CG1-CD1 3.92Å; V209-L213 HydrophobicContact CG1-CG 4.38Å; V209-L213 WeakPolarHBondContact O-CG 3.26Å; V209-L213 PolarHBondContact O-N 2.84Å; V209-L239 HydrophobicContact CG1-CD1 4.29Å |
| 210 | A | 98.5 | Very high | 98.1 | Very high | 10 Ų | 10 | 51.8 Ų | 51.8 | 8% | 0.083 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.6 | -41.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | F206 S207 I212 L213 G214 Y236 | F206-A210 HydrophobicContact CE1-CB 4.29Å; F206-A210 HydrophobicContact CE2-CB 4.28Å; F206-A210 HydrophobicContact CZ-CB 4Å; F206-A210 WeakPolarHBondContact O-CB 3.3Å; F206-A210 PolarHBondContact O-N 3.14Å; S207-A210 PolarHBondContact O-N 3.04Å; A210-I212 PolarHBondContact O-N 3.08Å; A210-L213 PolarHBondContact O-N 3.08Å; A210-G214 PolarHBondContact O-N 3.17Å; A210-Y236 PolarHBondContact O-OH 2.99Å |
| 211 | M | 98.6 | Very high | 98 | Very high | 89 Ų | 89 | 53.4 Ų | 53.4 | 44% | 0.438 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.6 | -46.2 | 175.8 | 178.3 | -172.1 | 67.4 | 0 | 0 | 111.6 | S207 H208 V209 G214 K215 | S207-M211 VanDerWaalsContact O-CB 3.24Å; S207-M211 WeakPolarHBondContact O-CB 3.34Å; S207-M211 PolarHBondContact O-N 3.29Å; H208-M211 PolarHBondContact O-N 3.43Å; V209-M211 PolarHBondContact O-N 3.47Å; M211-G214 PolarHBondContact O-N 3.03Å; M211-K215 PolarHBondContact O-N 3.47Å |
| 212 | I | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68 | -44.3 | -178.8 | -60.7 | -70.2 | 0 | 0 | 0 | 110.5 | L168 M171 E172 H208 V209 A210 G214 K215 M216 | L168-I212 HydrophobicContact CB-CG1 4.48Å; L168-I212 HydrophobicContact CD2-CB 4.19Å; L168-I212 HydrophobicContact CD2-CG1 4.38Å; L168-I212 HydrophobicContact CD2-CG2 4.24Å; M171-I212 HydrophobicContact CB-CG2 3.88Å; M171-I212 HydrophobicContact CE-CG2 4.21Å; E172-I212 HydrophobicContact CB-CD1 3.98Å; E172-I212 HydrophobicContact CB-CG2 4.45Å; E172-I212 HydrophobicContact CG-CD1 4.12Å; H208-I212 VanDerWaalsContact O-CG1 3.26Å; H208-I212 WeakPolarHBondContact O-CG1 3.41Å; H208-I212 PolarHBondContact O-N 3.04Å; H208-I212 VanDerWaalsContact O-N 3.1Å; V209-I212 PolarHBondContact O-N 3.21Å; A210-I212 PolarHBondContact O-N 3.08Å; I212-G214 VanDerWaalsContact C-N 3.27Å; I212-G214 PolarHBondContact O-N 3.49Å; I212-K215 PolarHBondContact O-N 2.85Å; I212-M216 HydrophobicContact CG2-SD 4.42Å; I212-M216 VanDerWaalsContact O-CG 3.31Å; I212-M216 WeakPolarHBondContact O-CG 3.41Å; I212-M216 PolarHBondContact O-N 3.03Å |
| 213 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.2 | -39.2 | 173.2 | -69 | 173.8 | 0 | 0 | 0 | 111.6 | M171 V209 A210 M216 V217 V232 C235 Y236 L239 | M171-L213 HydrophobicContact CE-CD2 3.76Å; M171-L213 HydrophobicContact CE-CG 4.48Å; V209-L213 HydrophobicContact CG1-CD1 3.92Å; V209-L213 HydrophobicContact CG1-CG 4.38Å; V209-L213 WeakPolarHBondContact O-CG 3.26Å; V209-L213 PolarHBondContact O-N 2.84Å; A210-L213 PolarHBondContact O-N 3.08Å; L213-M216 HydrophobicContact CD2-SD 4.4Å; L213-M216 WeakPolarHBondContact O-CB 3.4Å; L213-M216 PolarHBondContact O-N 3.08Å; L213-V217 WeakPolarHBondContact O-CG2 3.43Å; L213-V217 PolarHBondContact O-N 3.34Å; L213-V232 HydrophobicContact CD2-CG1 4.33Å; L213-V232 HydrophobicContact CD2-CG2 4.32Å; L213-C235 HydrophobicContact CD1-CB 3.96Å; L213-C235 HydrophobicContact CD2-CB 4.23Å; L213-Y236 VanDerWaalsContact C-OH 3.31Å; L213-Y236 HydrophobicContact CB-CE1 4.24Å; L213-Y236 HydrophobicContact CB-CE2 3.69Å; L213-Y236 WeakPolarHBondContact CB-OH 3.42Å; L213-Y236 HydrophobicContact CD1-CD1 4.44Å; L213-Y236 HydrophobicContact CD1-CE1 4.29Å; L213-Y236 HydrophobicContact CD1-CE2 4.38Å; L213-L239 HydrophobicContact CD1-CD1 3.93Å |
| 214 | G | 98.6 | Very high | 98 | Very high | 19 Ų | 19 | 57.1 Ų | 57.1 | 20% | 0.196 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63 | -46 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A210 M211 I212 M216 V217 L218 Y236 | A210-G214 PolarHBondContact O-N 3.17Å; M211-G214 PolarHBondContact O-N 3.03Å; I212-G214 VanDerWaalsContact C-N 3.27Å; I212-G214 PolarHBondContact O-N 3.49Å; G214-M216 VanDerWaalsContact C-N 3.28Å; G214-M216 PolarHBondContact O-N 3.19Å; G214-V217 PolarHBondContact O-N 3.5Å; G214-L218 PolarHBondContact O-N 3.39Å; G214-L218 VanDerWaalsContact O-N 3.1Å; G214-Y236 WeakPolarHBondContact CA-OH 3.49Å; G214-Y236 PolarHBondContact N-OH 3.44Å |
| 215 | K | 98.6 | Very high | 98 | Very high | 84 Ų | 84 | 50 Ų | 50 | 37% | 0.365 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -57.9 | -41.5 | 172.6 | -74.6 | 175.8 | 174.1 | 173.4 | 0 | 111.6 | E172 M211 I212 L218 Q219 | E172-K215 IonicContact OE1-NZ 3.48Å; E172-K215 PolarHBondContact OE1-NZ 3.35Å; M211-K215 PolarHBondContact O-N 3.47Å; I212-K215 PolarHBondContact O-N 2.85Å; K215-L218 PolarHBondContact O-N 3.1Å; K215-Q219 WeakPolarHBondContact O-CG 3.34Å; K215-Q219 PolarHBondContact O-N 3.13Å |
| 216 | M | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.2 | -40.2 | 177.2 | -69.8 | 174.8 | 76 | 0 | 0 | 112.5 | M171 T183 I212 L213 G214 L218 Q219 L220 L228 V232 | M171-M216 HydrophobicContact CB-CE 4.47Å; M171-M216 HydrophobicContact CB-SD 3.8Å; M171-M216 HydrophobicContact CE-CE 4.45Å; M171-M216 HydrophobicContact CE-SD 3.5Å; M171-M216 WeakPolarHBondContact CE-SD 3.47Å; M171-M216 HydrophobicContact CG-SD 4.23Å; T183-M216 HydrophobicContact CG2-CE 4.44Å; T183-M216 VanDerWaalsContact OG1-CE 3.25Å; T183-M216 WeakPolarHBondContact OG1-CE 3.4Å; I212-M216 HydrophobicContact CG2-SD 4.42Å; I212-M216 VanDerWaalsContact O-CG 3.31Å; I212-M216 WeakPolarHBondContact O-CG 3.41Å; I212-M216 PolarHBondContact O-N 3.03Å; L213-M216 HydrophobicContact CD2-SD 4.4Å; L213-M216 WeakPolarHBondContact O-CB 3.4Å; L213-M216 PolarHBondContact O-N 3.08Å; G214-M216 VanDerWaalsContact C-N 3.28Å; G214-M216 PolarHBondContact O-N 3.19Å; M216-L218 VanDerWaalsContact C-N 3.33Å; M216-L218 PolarHBondContact O-N 3.31Å; M216-Q219 PolarHBondContact O-N 3.05Å; M216-L220 WeakPolarHBondContact O-CB 3.43Å; M216-L220 VanDerWaalsContact O-CG 3.32Å; M216-L220 WeakPolarHBondContact O-CG 3.23Å; M216-L220 PolarHBondContact O-N 3.33Å; M216-L228 HydrophobicContact CE-CD1 3.49Å; M216-L228 VanDerWaalsContact CE-CD1 3.49Å; M216-L228 HydrophobicContact CE-CD2 3.86Å; M216-L228 HydrophobicContact CE-CG 3.84Å; M216-V232 HydrophobicContact CB-CG2 4.4Å; M216-V232 HydrophobicContact CE-CG2 3.78Å; M216-V232 HydrophobicContact SD-CG2 4.34Å |
| 217 | V | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.4 | -45.4 | 174.6 | 170 | 0 | 0 | 0 | 0 | 110.9 | L213 G214 Q219 L220 S221 V232 Y236 P254 Q256 L257 F262 | L213-V217 WeakPolarHBondContact O-CG2 3.43Å; L213-V217 PolarHBondContact O-N 3.34Å; G214-V217 PolarHBondContact O-N 3.5Å; V217-Q219 VanDerWaalsContact C-N 3.28Å; V217-Q219 PolarHBondContact O-N 3.14Å; V217-L220 PolarHBondContact O-N 3.44Å; V217-S221 PolarHBondContact O-N 3.11Å; V217-V232 HydrophobicContact CG2-CG1 3.69Å; V217-Y236 HydrophobicContact CG2-CE2 3.98Å; V217-P254 HydrophobicContact CB-CB 4.17Å; V217-P254 HydrophobicContact CB-CG 4.09Å; V217-P254 HydrophobicContact CG1-CB 3.73Å; V217-P254 HydrophobicContact CG1-CG 4.19Å; V217-P254 HydrophobicContact CG2-CG 4.2Å; V217-Q256 HydrophobicContact CG1-CB 3.84Å; V217-L257 HydrophobicContact CG1-CD2 4.47Å; V217-L257 HydrophobicContact CG1-CG 4.09Å; V217-L257 HydrophobicContact CG2-CD1 3.85Å; V217-L257 HydrophobicContact CG2-CD2 4.35Å; V217-L257 HydrophobicContact CG2-CG 4.09Å; V217-F262 HydrophobicContact CG1-CE2 3.86Å; V217-F262 HydrophobicContact CG1-CZ 4.04Å |
| 218 | L | 98.1 | Very high | 97.8 | Very high | 84 Ų | 84 | 53.8 Ų | 53.8 | 44% | 0.44 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.8 | -33.4 | 177.1 | -178.1 | 63.8 | 0 | 0 | 0 | 112.8 | G214 K215 M216 S221 | G214-L218 PolarHBondContact O-N 3.39Å; G214-L218 VanDerWaalsContact O-N 3.1Å; K215-L218 PolarHBondContact O-N 3.1Å; M216-L218 VanDerWaalsContact C-N 3.33Å; M216-L218 PolarHBondContact O-N 3.31Å; L218-S221 PolarHBondContact O-OG 2.96Å |
| 219 | Q | 97.8 | Very high | 97.9 | Very high | 77 Ų | 77 | 49.8 Ų | 49.8 | 36% | 0.36 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -70 | -44.5 | 173.3 | -71.2 | 172 | 4.3 | 0 | 0 | 110.9 | K215 M216 V217 S221 K222 E223 | K215-Q219 WeakPolarHBondContact O-CG 3.34Å; K215-Q219 PolarHBondContact O-N 3.13Å; M216-Q219 PolarHBondContact O-N 3.05Å; V217-Q219 VanDerWaalsContact C-N 3.28Å; V217-Q219 PolarHBondContact O-N 3.14Å; Q219-S221 PolarHBondContact O-N 2.89Å; Q219-K222 PolarHBondContact O-N 3.48Å; Q219-E223 PolarHBondContact O-N 3.06Å |
| 220 | L | 98.1 | Very high | 97.8 | Very high | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63 | -28.3 | -180 | -77.5 | 165.8 | 0 | 0 | 0 | 113.3 | M216 V217 K222 E223 P224 L228 L229 V232 F262 | M216-L220 WeakPolarHBondContact O-CB 3.43Å; M216-L220 VanDerWaalsContact O-CG 3.32Å; M216-L220 WeakPolarHBondContact O-CG 3.23Å; M216-L220 PolarHBondContact O-N 3.33Å; V217-L220 PolarHBondContact O-N 3.44Å; L220-K222 PolarHBondContact O-N 3.34Å; L220-E223 CarbonylContact O-C 3.55Å; L220-P224 WeakPolarHBondContact O-CA 3.48Å; L220-L228 HydrophobicContact CD1-CD2 4.49Å; L220-L228 HydrophobicContact CD1-CG 4.25Å; L220-L228 HydrophobicContact CD2-CB 4.07Å; L220-L228 HydrophobicContact CD2-CD2 4.09Å; L220-L228 HydrophobicContact CD2-CG 4.28Å; L220-L228 HydrophobicContact CG-CD2 4.43Å; L220-L229 HydrophobicContact CD1-CB 4.11Å; L220-L229 HydrophobicContact CD1-CD1 4.13Å; L220-V232 HydrophobicContact CD1-CG2 4.19Å; L220-F262 HydrophobicContact CB-CE1 3.88Å; L220-F262 HydrophobicContact CB-CZ 4.02Å |
| 221 | S | 97.2 | Very high | 97.9 | Very high | 41 Ų | 41 | 53.7 Ų | 53.7 | 29% | 0.287 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -20.5 | 174.9 | 72.2 | 0 | 0 | 0 | 0 | 112.9 | V217 L218 Q219 | V217-S221 PolarHBondContact O-N 3.11Å; L218-S221 PolarHBondContact O-OG 2.96Å; Q219-S221 PolarHBondContact O-N 2.89Å |
| 222 | K | 97.1 | Very high | 97.9 | Very high | 157 Ų | 157 | 49.4 Ų | 49.4 | 68% | 0.683 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | -42.7 | 178.2 | -60 | 179.1 | -175.4 | -178.3 | 0 | 111.6 | Q219 L220 | Q219-K222 PolarHBondContact O-N 3.48Å; L220-K222 PolarHBondContact O-N 3.34Å |
| 223 | E | 96.6 | Very high | 97.9 | Very high | 161 Ų | 161 | 49.4 Ų | 49.4 | 75% | 0.752 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -123.6 | 90 | -179.6 | -69.3 | 175.9 | -167.3 | 0 | 0 | 108.9 | Q219 L220 S225 | Q219-E223 PolarHBondContact O-N 3.06Å; L220-E223 CarbonylContact O-C 3.55Å; E223-S225 PolarHBondContact O-N 3.35Å |
| 224 | P | 95.3 | Very high | 97.9 | Very high | 86 Ų | 86 | 51.8 Ų | 51.8 | 56% | 0.558 | 26% | 0.256 | S | S | * | . | trans | -65.2 | 131.8 | -173.8 | -25.3 | 36 | 0 | 0 | 0 | 113.6 | L220 V265 | L220-P224 WeakPolarHBondContact O-CA 3.48Å; P224-V265 HydrophobicContact CB-CG1 4.48Å; P224-V265 HydrophobicContact CB-CG2 3.77Å; P224-V265 HydrophobicContact CG-CG2 4.25Å | ||
| 225 | S | 97.3 | Very high | 97.9 | Very high | 10 Ų | 10 | 50.9 Ų | 50.9 | 7% | 0.07 | 25% | 0.247 | C | C | . | . | trans | -137.4 | 105.3 | 168 | 179.1 | 0 | 0 | 0 | 0 | 109.6 | E176 E223 R227 L228 L229 | E176-S225 VanDerWaalsContact OE1-CB 3.23Å; E176-S225 WeakPolarHBondContact OE1-CB 3.43Å; E176-S225 PolarHBondContact OE1-OG 2.88Å; E223-S225 PolarHBondContact O-N 3.35Å; S225-R227 VanDerWaalsContact C-N 3.26Å; S225-R227 PolarHBondContact O-N 3.37Å; S225-L228 PolarHBondContact O-N 3.23Å; S225-L229 WeakPolarHBondContact O-CB 3.39Å; S225-L229 PolarHBondContact O-N 2.96Å | ||
| 226 | A | 96.3 | Very high | 97.9 | Very high | 45 Ų | 45 | 46.9 Ų | 46.9 | 37% | 0.372 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60 | -38.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112 | L229 K230 V265 | A226-L229 PolarHBondContact O-N 3.07Å; A226-K230 WeakPolarHBondContact O-CB 3.36Å; A226-K230 PolarHBondContact O-N 3.35Å; A226-V265 HydrophobicContact CB-CG1 4.06Å |
| 227 | R | 96.7 | Very high | 97.9 | Very high | 165 Ų | 165 | 47.6 Ų | 47.6 | 62% | 0.623 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -66.8 | -43 | 179.8 | -169.5 | 177.7 | 177.4 | 177.3 | 1.8 | 111.9 | T180 S225 H231 | T180-R227 HydrophobicContact CG2-CG 3.73Å; S225-R227 VanDerWaalsContact C-N 3.26Å; S225-R227 PolarHBondContact O-N 3.37Å; R227-H231 PolarHBondContact O-CD2 3.34Å |
| 228 | L | 98.4 | Very high | 97.9 | Very high | 8 Ų | 8 | 49 Ų | 49 | 4% | 0.042 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.1 | -45.1 | 177.1 | -172.6 | 58 | 0 | 0 | 0 | 111.2 | K179 M216 L220 S225 K230 H231 V232 | K179-L228 HydrophobicContact CB-CD1 4.12Å; K179-L228 HydrophobicContact CB-CD2 4.06Å; K179-L228 HydrophobicContact CD-CD2 4.41Å; M216-L228 HydrophobicContact CE-CD1 3.49Å; M216-L228 VanDerWaalsContact CE-CD1 3.49Å; M216-L228 HydrophobicContact CE-CD2 3.86Å; M216-L228 HydrophobicContact CE-CG 3.84Å; L220-L228 HydrophobicContact CD1-CD2 4.49Å; L220-L228 HydrophobicContact CD1-CG 4.25Å; L220-L228 HydrophobicContact CD2-CB 4.07Å; L220-L228 HydrophobicContact CD2-CD2 4.09Å; L220-L228 HydrophobicContact CD2-CG 4.28Å; L220-L228 HydrophobicContact CG-CD2 4.43Å; S225-L228 PolarHBondContact O-N 3.23Å; L228-K230 VanDerWaalsContact C-N 3.29Å; L228-K230 PolarHBondContact O-N 3.12Å; L228-H231 PolarHBondContact O-N 3.32Å; L228-H231 VanDerWaalsContact O-N 3.13Å; L228-V232 HydrophobicContact CG-CG2 4.49Å; L228-V232 WeakPolarHBondContact O-CG2 3.41Å; L228-V232 PolarHBondContact O-N 3.35Å |
| 229 | L | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.3 | -42.2 | 178.3 | -179.7 | 61.9 | 0 | 0 | 0 | 111.8 | L220 S225 A226 H231 V232 V233 L257 F262 V265 L266 | L220-L229 HydrophobicContact CD1-CB 4.11Å; L220-L229 HydrophobicContact CD1-CD1 4.13Å; S225-L229 WeakPolarHBondContact O-CB 3.39Å; S225-L229 PolarHBondContact O-N 2.96Å; A226-L229 PolarHBondContact O-N 3.07Å; L229-H231 VanDerWaalsContact C-N 3.32Å; L229-H231 PolarHBondContact O-N 2.89Å; L229-V232 PolarHBondContact O-N 3.29Å; L229-V233 HydrophobicContact CD1-CG2 3.96Å; L229-V233 HydrophobicContact CG-CG2 4.24Å; L229-V233 WeakPolarHBondContact O-CB 3.41Å; L229-V233 WeakPolarHBondContact O-CG2 3.38Å; L229-V233 PolarHBondContact O-N 2.79Å; L229-L257 HydrophobicContact CD1-CD2 4.28Å; L229-F262 HydrophobicContact CD1-CD1 4.36Å; L229-F262 HydrophobicContact CD1-CD2 4.2Å; L229-F262 HydrophobicContact CD1-CE1 4.35Å; L229-F262 HydrophobicContact CD1-CE2 4.19Å; L229-F262 HydrophobicContact CD1-CG 4.28Å; L229-F262 HydrophobicContact CD1-CZ 4.27Å; L229-F262 HydrophobicContact CD2-CB 3.87Å; L229-F262 HydrophobicContact CD2-CD1 3.67Å; L229-F262 HydrophobicContact CD2-CD2 4.41Å; L229-F262 HydrophobicContact CD2-CE1 4.33Å; L229-F262 HydrophobicContact CD2-CG 3.72Å; L229-V265 HydrophobicContact CD2-CG1 4.3Å; L229-L266 HydrophobicContact CD2-CD1 4.28Å; L229-L266 HydrophobicContact CD2-CD2 3.68Å; L229-L266 HydrophobicContact CD2-CG 3.94Å; L229-L266 HydrophobicContact CG-CD2 4.4Å |
| 230 | K | 98.5 | Very high | 98 | Very high | 70 Ų | 70 | 41.3 Ų | 41.3 | 30% | 0.304 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -54.2 | -46.3 | 175.6 | 177.6 | 167.8 | -172.8 | 168.2 | 0 | 112.7 | A226 L228 R234 T272 W275 | A226-K230 WeakPolarHBondContact O-CB 3.36Å; A226-K230 PolarHBondContact O-N 3.35Å; L228-K230 VanDerWaalsContact C-N 3.29Å; L228-K230 PolarHBondContact O-N 3.12Å; K230-R234 WeakPolarHBondContact O-CB 3.48Å; K230-R234 PolarHBondContact O-N 2.86Å; K230-R234 VanDerWaalsContact O-N 3.09Å; K230-T272 WeakPolarHBondContact CB-OG1 3.31Å; K230-T272 VanDerWaalsContact CG-OG1 3.3Å; K230-T272 WeakPolarHBondContact CG-OG1 3.44Å; K230-W275 HydrophobicContact CD-CZ3 4.38Å; K230-W275 HydrophobicContact CG-CE3 4.44Å; K230-W275 HydrophobicContact CG-CZ3 3.7Å |
| 231 | H | 98.8 | Very high | 98 | Very high | 23 Ų | 23 | 44.3 Ų | 44.3 | 11% | 0.106 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69.2 | -42.6 | 177.9 | -66.8 | -55.9 | 0 | 0 | 0 | 111.9 | T183 F184 Q187 R227 L228 L229 V233 R234 C235 | T183-H231 HydrophobicContact CG2-CB 3.61Å; F184-H231 AromaticContact CD2-CE1 3.6Å; Q187-H231 PolarHBondContact OE1-ND1 3.22Å; R227-H231 PolarHBondContact O-CD2 3.34Å; L228-H231 PolarHBondContact O-N 3.32Å; L228-H231 VanDerWaalsContact O-N 3.13Å; L229-H231 VanDerWaalsContact C-N 3.32Å; L229-H231 PolarHBondContact O-N 2.89Å; H231-V233 PolarHBondContact O-N 3.22Å; H231-R234 PolarHBondContact O-N 2.92Å; H231-C235 PolarHBondContact O-N 3.35Å; H231-C235 PolarHBondContact O-SG 3.03Å |
| 232 | V | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.5 | -48.4 | 177 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | T183 L213 M216 V217 L220 L228 L229 R234 C235 Y236 | T183-V232 HydrophobicContact CG2-CG2 4.18Å; L213-V232 HydrophobicContact CD2-CG1 4.33Å; L213-V232 HydrophobicContact CD2-CG2 4.32Å; M216-V232 HydrophobicContact CB-CG2 4.4Å; M216-V232 HydrophobicContact CE-CG2 3.78Å; M216-V232 HydrophobicContact SD-CG2 4.34Å; V217-V232 HydrophobicContact CG2-CG1 3.69Å; L220-V232 HydrophobicContact CD1-CG2 4.19Å; L228-V232 HydrophobicContact CG-CG2 4.49Å; L228-V232 WeakPolarHBondContact O-CG2 3.41Å; L228-V232 PolarHBondContact O-N 3.35Å; L229-V232 PolarHBondContact O-N 3.29Å; V232-R234 VanDerWaalsContact C-N 3.31Å; V232-R234 PolarHBondContact O-N 3.1Å; V232-C235 PolarHBondContact O-N 3.48Å; V232-Y236 HydrophobicContact CG1-CD2 3.96Å; V232-Y236 HydrophobicContact CG1-CE2 3.85Å; V232-Y236 WeakPolarHBondContact O-CD2 3.41Å; V232-Y236 PolarHBondContact O-N 3.5Å; V232-Y236 VanDerWaalsContact O-N 3.09Å |
| 233 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.7 | -42.4 | 176.6 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | L229 H231 C235 Y236 L237 L257 T272 W275 L276 | L229-V233 HydrophobicContact CD1-CG2 3.96Å; L229-V233 HydrophobicContact CG-CG2 4.24Å; L229-V233 WeakPolarHBondContact O-CB 3.41Å; L229-V233 WeakPolarHBondContact O-CG2 3.38Å; L229-V233 PolarHBondContact O-N 2.79Å; H231-V233 PolarHBondContact O-N 3.22Å; V233-C235 VanDerWaalsContact C-N 3.34Å; V233-C235 PolarHBondContact O-N 3.43Å; V233-Y236 PolarHBondContact O-N 3.07Å; V233-L237 WeakPolarHBondContact O-CB 3.47Å; V233-L237 PolarHBondContact O-N 3.04Å; V233-L257 HydrophobicContact CG2-CD2 4.2Å; V233-T272 HydrophobicContact CB-CG2 4Å; V233-T272 HydrophobicContact CG1-CG2 4.11Å; V233-T272 HydrophobicContact CG2-CG2 3.96Å; V233-W275 HydrophobicContact CG1-CB 3.82Å; V233-L276 HydrophobicContact CG1-CB 4.04Å; V233-L276 HydrophobicContact CG1-CD1 4.45Å; V233-L276 HydrophobicContact CG2-CD1 4.46Å |
| 234 | R | 98.8 | Very high | 97.8 | Very high | 50 Ų | 50 | 42.1 Ų | 42.1 | 19% | 0.189 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.8 | -35.5 | 179.8 | -171.2 | 61.3 | -177 | 91.8 | -11.6 | 112.9 | Q187 K230 H231 V232 R238 W275 | Q187-R234 HydrophobicContact CG-CB 4.09Å; Q187-R234 HydrophobicContact CG-CG 3.73Å; K230-R234 WeakPolarHBondContact O-CB 3.48Å; K230-R234 PolarHBondContact O-N 2.86Å; K230-R234 VanDerWaalsContact O-N 3.09Å; H231-R234 PolarHBondContact O-N 2.92Å; V232-R234 VanDerWaalsContact C-N 3.31Å; V232-R234 PolarHBondContact O-N 3.1Å; R234-R238 WeakPolarHBondContact O-CB 3.49Å; R234-R238 PolarHBondContact O-N 3.06Å; R234-W275 HydrophobicContact CB-CE3 3.92Å; R234-W275 HydrophobicContact CB-CZ3 3.84Å; R234-W275 HydrophobicContact CG-CE3 4.31Å; R234-W275 HydrophobicContact CG-CH2 4.34Å; R234-W275 HydrophobicContact CG-CZ3 4.08Å |
| 235 | C | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64 | -50 | 173.2 | -69.7 | 0 | 0 | 0 | 0 | 111.4 | L190 L213 H231 V232 V233 L237 R238 L239 | L190-C235 HydrophobicContact CD1-CB 3.73Å; L213-C235 HydrophobicContact CD1-CB 3.96Å; L213-C235 HydrophobicContact CD2-CB 4.23Å; H231-C235 PolarHBondContact O-N 3.35Å; H231-C235 PolarHBondContact O-SG 3.03Å; V232-C235 PolarHBondContact O-N 3.48Å; V233-C235 VanDerWaalsContact C-N 3.34Å; V233-C235 PolarHBondContact O-N 3.43Å; C235-L237 PolarHBondContact O-N 3.42Å; C235-R238 PolarHBondContact O-N 3.19Å; C235-L239 WeakPolarHBondContact O-CG 3.49Å; C235-L239 PolarHBondContact O-N 3.24Å |
| 236 | Y | 98.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.3 | -44.3 | 176.7 | -82.4 | -63.9 | 0 | 0 | 0 | 112.6 | A210 L213 G214 V217 V232 V233 R238 L239 S240 L249 L253 L257 L279 | A210-Y236 PolarHBondContact O-OH 2.99Å; L213-Y236 VanDerWaalsContact C-OH 3.31Å; L213-Y236 HydrophobicContact CB-CE1 4.24Å; L213-Y236 HydrophobicContact CB-CE2 3.69Å; L213-Y236 WeakPolarHBondContact CB-OH 3.42Å; L213-Y236 HydrophobicContact CD1-CD1 4.44Å; L213-Y236 HydrophobicContact CD1-CE1 4.29Å; L213-Y236 HydrophobicContact CD1-CE2 4.38Å; G214-Y236 WeakPolarHBondContact CA-OH 3.49Å; G214-Y236 PolarHBondContact N-OH 3.44Å; V217-Y236 HydrophobicContact CG2-CE2 3.98Å; V232-Y236 HydrophobicContact CG1-CD2 3.96Å; V232-Y236 HydrophobicContact CG1-CE2 3.85Å; V232-Y236 WeakPolarHBondContact O-CD2 3.41Å; V232-Y236 PolarHBondContact O-N 3.5Å; V232-Y236 VanDerWaalsContact O-N 3.09Å; V233-Y236 PolarHBondContact O-N 3.07Å; Y236-R238 VanDerWaalsContact C-N 3.29Å; Y236-R238 PolarHBondContact O-N 3.16Å; Y236-L239 PolarHBondContact O-N 3.41Å; Y236-S240 PolarHBondContact O-N 3.44Å; Y236-L249 HydrophobicContact CD1-CD1 4.44Å; Y236-L249 HydrophobicContact CD1-CD2 3.61Å; Y236-L249 HydrophobicContact CE1-CD2 3.64Å; Y236-L253 HydrophobicContact CD1-CD1 3.91Å; Y236-L253 HydrophobicContact CE1-CD1 4.08Å; Y236-L253 HydrophobicContact CG-CD1 4.13Å; Y236-L257 HydrophobicContact CD2-CD1 3.65Å; Y236-L257 HydrophobicContact CE2-CD1 3.68Å; Y236-L257 HydrophobicContact CG-CD1 4.46Å; Y236-L279 HydrophobicContact CG-CD2 4.39Å |
| 237 | L | 98.8 | Very high | 97.8 | Very high | 15 Ų | 15 | 42.1 Ų | 42.1 | 8% | 0.079 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -55.9 | -47 | 175.9 | 176.5 | 61.9 | 0 | 0 | 0 | 110.7 | V233 C235 S240 W275 Q278 L279 | V233-L237 WeakPolarHBondContact O-CB 3.47Å; V233-L237 PolarHBondContact O-N 3.04Å; C235-L237 PolarHBondContact O-N 3.42Å; L237-S240 WeakPolarHBondContact O-CB 3.49Å; L237-S240 PolarHBondContact O-N 3.21Å; L237-S240 PolarHBondContact O-OG 3.37Å; L237-W275 HydrophobicContact CD2-CB 3.76Å; L237-W275 HydrophobicContact CD2-CG 3.85Å; L237-Q278 HydrophobicContact CD1-CB 3.95Å; L237-Q278 HydrophobicContact CD1-CG 3.8Å; L237-L279 HydrophobicContact CB-CB 4.42Å; L237-L279 HydrophobicContact CD1-CB 4.14Å |
| 238 | R | 98.8 | Very high | 97.8 | Very high | 29 Ų | 29 | 35.3 Ų | 35.3 | 11% | 0.109 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.4 | -40.5 | 179.2 | -172.8 | 44.7 | 176.4 | 162.8 | 2.9 | 112.9 | L190 L191 D193 R234 C235 Y236 S240 D241 | L190-R238 HydrophobicContact CB-CB 4.33Å; L190-R238 HydrophobicContact CB-CG 3.89Å; L190-R238 WeakPolarHBondContact O-CD 3.37Å; L190-R238 WeakPolarHBondContact O-CG 3.37Å; L190-R238 PolarHBondContact O-NE 3.24Å; L191-R238 PolarHBondContact O-NH2 3.29Å; D193-R238 IonicContact OD1-CZ 2.95Å; D193-R238 IonicContact OD1-NH2 2.99Å; D193-R238 PolarHBondContact OD1-NH2 3.14Å; R234-R238 WeakPolarHBondContact O-CB 3.49Å; R234-R238 PolarHBondContact O-N 3.06Å; C235-R238 PolarHBondContact O-N 3.19Å; Y236-R238 VanDerWaalsContact C-N 3.29Å; Y236-R238 PolarHBondContact O-N 3.16Å; R238-S240 PolarHBondContact O-N 3.04Å; R238-D241 WeakPolarHBondContact CD-OD2 3.39Å; R238-D241 IonicContact CZ-OD2 2.75Å; R238-D241 IonicContact NE-OD2 3Å; R238-D241 IonicContact NH1-OD2 2.79Å; R238-D241 PolarHBondContact NH1-OD2 3.43Å; R238-D241 WeakPolarHBondContact O-CB 3.39Å; R238-D241 PolarHBondContact O-N 3.45Å |
| 239 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.1 | -33.7 | 174.7 | -73.8 | 168.3 | 0 | 0 | 0 | 111.8 | L190 L196 I199 F206 V209 L213 C235 Y236 D241 N242 A245 L249 | L190-L239 HydrophobicContact CD1-CG 4.31Å; L190-L239 HydrophobicContact CD2-CD2 3.62Å; L190-L239 HydrophobicContact CD2-CG 4.1Å; L196-L239 HydrophobicContact CD1-CD2 4.22Å; I199-L239 HydrophobicContact CG2-CD2 4.07Å; F206-L239 HydrophobicContact CD2-CD2 4.31Å; V209-L239 HydrophobicContact CG1-CD1 4.29Å; L213-L239 HydrophobicContact CD1-CD1 3.93Å; C235-L239 WeakPolarHBondContact O-CG 3.49Å; C235-L239 PolarHBondContact O-N 3.24Å; Y236-L239 PolarHBondContact O-N 3.41Å; L239-D241 PolarHBondContact O-N 3.38Å; L239-N242 PolarHBondContact O-N 2.91Å; L239-A245 WeakPolarHBondContact O-CB 3.41Å; L239-L249 HydrophobicContact CB-CD1 3.92Å |
| 240 | S | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -11.6 | 177.2 | 80.4 | 0 | 0 | 0 | 0 | 114.3 | Y236 L237 R238 N242 R246 N282 | Y236-S240 PolarHBondContact O-N 3.44Å; L237-S240 WeakPolarHBondContact O-CB 3.49Å; L237-S240 PolarHBondContact O-N 3.21Å; L237-S240 PolarHBondContact O-OG 3.37Å; R238-S240 PolarHBondContact O-N 3.04Å; S240-N242 VanDerWaalsContact C-N 3.3Å; S240-R246 VanDerWaalsContact O-CZ 3.27Å; S240-R246 PolarHBondContact O-NE 3.38Å; S240-R246 PolarHBondContact O-NH2 3.1Å; S240-N282 PolarHBondContact OG-ND2 2.81Å |
| 241 | D | 97.9 | Very high | 97.4 | Very high | 69 Ų | 69 | 43.9 Ų | 43.9 | 37% | 0.369 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -26.2 | 173.9 | -62.4 | -21 | 0 | 0 | 0 | 111.5 | L196 R238 L239 | L196-D241 HydrophobicContact CD2-CB 4.19Å; R238-D241 WeakPolarHBondContact CD-OD2 3.39Å; R238-D241 IonicContact CZ-OD2 2.75Å; R238-D241 IonicContact NE-OD2 3Å; R238-D241 IonicContact NH1-OD2 2.79Å; R238-D241 PolarHBondContact NH1-OD2 3.43Å; R238-D241 WeakPolarHBondContact O-CB 3.39Å; R238-D241 PolarHBondContact O-N 3.45Å; L239-D241 PolarHBondContact O-N 3.38Å |
| 242 | N | 97.7 | Very high | 97.2 | Very high | 41 Ų | 41 | 45.9 Ų | 45.9 | 22% | 0.219 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -84.6 | 126.1 | 174.5 | -179.6 | -78.7 | 0 | 0 | 0 | 110.7 | L196 C200 L239 S240 R244 A245 R246 | L196-N242 HydrophobicContact CD1-CB 4.32Å; L196-N242 HydrophobicContact CD2-CB 4.38Å; L196-N242 HydrophobicContact CG-CB 4.41Å; C200-N242 HydrophobicContact CB-CB 4.23Å; L239-N242 PolarHBondContact O-N 2.91Å; S240-N242 VanDerWaalsContact C-N 3.3Å; N242-R244 PolarHBondContact O-N 3.29Å; N242-R244 PolarHBondContact OD1-N 3.41Å; N242-R244 VanDerWaalsContact OD1-N 3.1Å; N242-A245 HydrophobicContact CB-CB 4.03Å; N242-A245 PolarHBondContact O-N 3.36Å; N242-A245 PolarHBondContact OD1-N 3.31Å; N242-A245 VanDerWaalsContact OD1-N 3.09Å; N242-R246 VanDerWaalsContact O-CB 3.27Å; N242-R246 WeakPolarHBondContact O-CB 3.43Å; N242-R246 PolarHBondContact O-N 2.99Å |
| 243 | L | 95.3 | Very high | 97.2 | Very high | 119 Ų | 119 | 46.1 Ų | 46.1 | 62% | 0.623 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -58.1 | -44.2 | -175.2 | -66 | 174.5 | 0 | 0 | 0 | 113.5 | R246 E247 | L243-R246 WeakPolarHBondContact O-CB 3.34Å; L243-R246 PolarHBondContact O-N 3.22Å; L243-E247 WeakPolarHBondContact O-CG 3.4Å; L243-E247 PolarHBondContact O-N 2.93Å |
| 244 | R | 95 | Very high | 97.1 | Very high | 153 Ų | 153 | 47 Ų | 47 | 58% | 0.577 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -67.6 | -43.2 | -179.3 | -62.8 | 175.2 | 69.7 | -166.2 | 3.3 | 111.5 | Q201 N242 E247 A248 | Q201-R244 PolarHBondContact O-NH1 3.19Å; N242-R244 PolarHBondContact O-N 3.29Å; N242-R244 PolarHBondContact OD1-N 3.41Å; N242-R244 VanDerWaalsContact OD1-N 3.1Å; R244-E247 PolarHBondContact O-N 3.29Å; R244-A248 PolarHBondContact O-N 3.28Å |
| 245 | A | 97.1 | Very high | 97 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 2% | 0.017 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.2 | -40.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | F206 L239 N242 E247 A248 L249 | F206-A245 HydrophobicContact CD2-CB 3.7Å; F206-A245 HydrophobicContact CE2-CB 3.54Å; F206-A245 HydrophobicContact CZ-CB 4.31Å; L239-A245 WeakPolarHBondContact O-CB 3.41Å; N242-A245 HydrophobicContact CB-CB 4.03Å; N242-A245 PolarHBondContact O-N 3.36Å; N242-A245 PolarHBondContact OD1-N 3.31Å; N242-A245 VanDerWaalsContact OD1-N 3.09Å; A245-E247 VanDerWaalsContact C-N 3.35Å; A245-E247 PolarHBondContact O-N 2.89Å; A245-A248 PolarHBondContact O-N 2.92Å; A245-L249 WeakPolarHBondContact O-CB 3.49Å; A245-L249 VanDerWaalsContact O-CG 3.22Å; A245-L249 WeakPolarHBondContact O-CG 3.38Å; A245-L249 PolarHBondContact O-N 3.11Å |
| 246 | R | 96.7 | Very high | 97 | Very high | 42 Ų | 42 | 51.7 Ų | 51.7 | 16% | 0.158 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.5 | -47.6 | 175.1 | -174.8 | -170.8 | -64.7 | -169.5 | 2.3 | 111.4 | S240 N242 L243 L249 R250 N282 L283 | S240-R246 VanDerWaalsContact O-CZ 3.27Å; S240-R246 PolarHBondContact O-NE 3.38Å; S240-R246 PolarHBondContact O-NH2 3.1Å; N242-R246 VanDerWaalsContact O-CB 3.27Å; N242-R246 WeakPolarHBondContact O-CB 3.43Å; N242-R246 PolarHBondContact O-N 2.99Å; L243-R246 WeakPolarHBondContact O-CB 3.34Å; L243-R246 PolarHBondContact O-N 3.22Å; R246-L249 PolarHBondContact O-N 2.88Å; R246-R250 WeakPolarHBondContact O-CG 3.3Å; R246-R250 PolarHBondContact O-N 2.94Å; R246-R250 VanDerWaalsContact O-N 3.12Å; R246-N282 WeakPolarHBondContact CD-O 3.47Å; R246-L283 HydrophobicContact CG-CD2 3.86Å; R246-L283 WeakPolarHBondContact O-CD2 3.36Å |
| 247 | E | 95.1 | Very high | 96.9 | Very high | 97 Ų | 97 | 51.8 Ų | 51.8 | 45% | 0.453 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -58.9 | -47.4 | 177 | -77.3 | 174.1 | 179.5 | 0 | 0 | 112.4 | L243 R244 A245 L249 R250 | L243-E247 WeakPolarHBondContact O-CG 3.4Å; L243-E247 PolarHBondContact O-N 2.93Å; R244-E247 PolarHBondContact O-N 3.29Å; A245-E247 VanDerWaalsContact C-N 3.35Å; A245-E247 PolarHBondContact O-N 2.89Å; E247-L249 PolarHBondContact O-N 3.01Å; E247-R250 WeakPolarHBondContact O-CB 3.42Å; E247-R250 PolarHBondContact O-N 3.31Å |
| 248 | A | 96.1 | Very high | 96.7 | Very high | 21 Ų | 21 | 56 Ų | 56 | 17% | 0.174 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.6 | -39.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F206 R244 A245 R250 Q251 C252 | F206-A248 HydrophobicContact CD1-CB 4.31Å; F206-A248 HydrophobicContact CE1-CB 3.36Å; F206-A248 HydrophobicContact CZ-CB 3.7Å; R244-A248 PolarHBondContact O-N 3.28Å; A245-A248 PolarHBondContact O-N 2.92Å; A248-R250 VanDerWaalsContact C-N 3.26Å; A248-R250 PolarHBondContact O-N 3.32Å; A248-Q251 PolarHBondContact O-N 3.46Å; A248-C252 PolarHBondContact O-N 3.37Å; A248-C252 PolarHBondContact O-SG 3.03Å |
| 249 | L | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63 | -28.1 | 177.5 | -75.5 | 174.9 | 0 | 0 | 0 | 113 | F206 Y236 L239 A245 R246 E247 Q251 C252 L253 L283 | F206-L249 HydrophobicContact CE2-CD2 4.44Å; F206-L249 HydrophobicContact CE2-CG 4.25Å; F206-L249 HydrophobicContact CZ-CD2 4.2Å; F206-L249 HydrophobicContact CZ-CG 4.07Å; Y236-L249 HydrophobicContact CD1-CD1 4.44Å; Y236-L249 HydrophobicContact CD1-CD2 3.61Å; Y236-L249 HydrophobicContact CE1-CD2 3.64Å; L239-L249 HydrophobicContact CB-CD1 3.92Å; A245-L249 WeakPolarHBondContact O-CB 3.49Å; A245-L249 VanDerWaalsContact O-CG 3.22Å; A245-L249 WeakPolarHBondContact O-CG 3.38Å; A245-L249 PolarHBondContact O-N 3.11Å; R246-L249 PolarHBondContact O-N 2.88Å; E247-L249 PolarHBondContact O-N 3.01Å; L249-Q251 PolarHBondContact O-N 3.44Å; L249-C252 PolarHBondContact O-N 3.46Å; L249-L253 WeakPolarHBondContact O-CB 3.26Å; L249-L253 PolarHBondContact O-N 3.19Å; L249-L283 HydrophobicContact CB-CD1 4.41Å; L249-L283 HydrophobicContact CB-CD2 3.74Å |
| 250 | R | 95.8 | Very high | 96.3 | Very high | 81 Ų | 81 | 63.4 Ų | 63.4 | 31% | 0.306 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.2 | -30.8 | 172 | -66.7 | -177.4 | -172.7 | 124 | -0.6 | 112 | R246 E247 A248 L283 E285 | R246-R250 WeakPolarHBondContact O-CG 3.3Å; R246-R250 PolarHBondContact O-N 2.94Å; R246-R250 VanDerWaalsContact O-N 3.12Å; E247-R250 WeakPolarHBondContact O-CB 3.42Å; E247-R250 PolarHBondContact O-N 3.31Å; A248-R250 VanDerWaalsContact C-N 3.26Å; A248-R250 PolarHBondContact O-N 3.32Å; R250-L283 WeakPolarHBondContact CD-O 3.35Å; R250-L283 HydrophobicContact CG-CB 4.23Å; R250-L283 HydrophobicContact CG-CD2 4.25Å; R250-L283 PolarHBondContact NE-O 3.07Å; R250-E285 PolarHBondContact NH2-O 3Å |
| 251 | Q | 93.7 | Very high | 96.2 | Very high | 178 Ų | 178 | 66.1 Ų | 66.1 | 83% | 0.832 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -94.6 | -32.8 | -178.2 | -59.2 | 179.5 | 1.5 | 0 | 0 | 112.6 | A248 L249 | A248-Q251 PolarHBondContact O-N 3.46Å; L249-Q251 PolarHBondContact O-N 3.44Å |
| 252 | C | 95.3 | Very high | 96.2 | Very high | 65 Ų | 65 | 63.1 Ų | 63.1 | 44% | 0.439 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -113.4 | 0.7 | -171.5 | 73.5 | 0 | 0 | 0 | 0 | 115.8 | A248 L249 P254 | A248-C252 PolarHBondContact O-N 3.37Å; A248-C252 PolarHBondContact O-SG 3.03Å; L249-C252 PolarHBondContact O-N 3.46Å; C252-P254 WeakPolarHBondContact O-CD 3.36Å |
| 253 | L | 97.4 | Very high | 96.1 | Very high | 6 Ų | 6 | 63.9 Ų | 63.9 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -61.4 | 126.8 | 174.9 | -174.6 | 75.7 | 0 | 0 | 0 | 109.7 | Y236 L249 L257 K258 L279 L283 | Y236-L253 HydrophobicContact CD1-CD1 3.91Å; Y236-L253 HydrophobicContact CE1-CD1 4.08Å; Y236-L253 HydrophobicContact CG-CD1 4.13Å; L249-L253 WeakPolarHBondContact O-CB 3.26Å; L249-L253 PolarHBondContact O-N 3.19Å; L253-L257 HydrophobicContact CD1-CD1 3.87Å; L253-L257 HydrophobicContact CD2-CB 4.45Å; L253-L257 HydrophobicContact CG-CB 4.45Å; L253-K258 HydrophobicContact CD2-CG 3.97Å; L253-K258 WeakPolarHBondContact O-CE 3.28Å; L253-K258 PolarHBondContact O-NZ 3.05Å; L253-L279 HydrophobicContact CD1-CD2 4.08Å; L253-L283 HydrophobicContact CB-CD1 4.22Å; L253-L283 HydrophobicContact CD2-CD1 3.62Å; L253-L283 HydrophobicContact CG-CD1 4.38Å |
| 254 | P | 97.9 | Very high | 96 | Very high | 18 Ų | 18 | 65.6 Ų | 65.6 | 12% | 0.117 | 34% | 0.336 | C | S | . | . | trans | -58 | 138.8 | 178.4 | -25.7 | 34.3 | 0 | 0 | 0 | 113 | V217 C252 Q256 L257 | V217-P254 HydrophobicContact CB-CB 4.17Å; V217-P254 HydrophobicContact CB-CG 4.09Å; V217-P254 HydrophobicContact CG1-CB 3.73Å; V217-P254 HydrophobicContact CG1-CG 4.19Å; V217-P254 HydrophobicContact CG2-CG 4.2Å; C252-P254 WeakPolarHBondContact O-CD 3.36Å; P254-Q256 PolarHBondContact O-N 3.35Å; P254-L257 PolarHBondContact O-N 3.14Å; P254-L257 VanDerWaalsContact O-N 3.09Å | ||
| 255 | D | 96.5 | Very high | 96 | Very high | 100 Ų | 100 | 60.5 Ų | 60.5 | 54% | 0.535 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -66.3 | -26.6 | -176.5 | -64.6 | -31.3 | 0 | 0 | 0 | 113.1 | L257 K258 D259 | D255-L257 PolarHBondContact O-N 3.45Å; D255-L257 VanDerWaalsContact O-N 3.12Å; D255-K258 WeakPolarHBondContact O-CA 3.23Å; D255-K258 WeakPolarHBondContact O-CB 3.31Å; D255-K258 PolarHBondContact O-N 3.22Å; D255-K258 IonicContact OD1-NZ 2.67Å; D255-K258 PolarHBondContact OD1-NZ 2.97Å; D255-D259 VanDerWaalsContact O-CG 3.29Å; D255-D259 PolarHBondContact O-N 3.35Å |
| 256 | Q | 97.9 | Very high | 95.9 | Very high | 49 Ų | 49 | 60.7 Ų | 60.7 | 23% | 0.229 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -61.9 | -20.7 | 175 | -61.8 | 78.6 | 12.7 | 0 | 0 | 113 | V217 P254 D259 T261 F262 | V217-Q256 HydrophobicContact CG1-CB 3.84Å; P254-Q256 PolarHBondContact O-N 3.35Å; Q256-D259 WeakPolarHBondContact CA-OD1 3.48Å; Q256-T261 HydrophobicContact CB-CG2 3.95Å; Q256-T261 HydrophobicContact CG-CG2 4.03Å; Q256-F262 HydrophobicContact CB-CD2 4.46Å; Q256-F262 HydrophobicContact CB-CE2 3.69Å; Q256-F262 HydrophobicContact CB-CZ 4.24Å; Q256-F262 WeakPolarHBondContact O-CD2 3.35Å; Q256-F262 WeakPolarHBondContact O-CE2 3.36Å |
| 257 | L | 97.4 | Very high | 95.7 | Very high | 3 Ų | 3 | 64.8 Ų | 64.8 | 2% | 0.016 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -87.8 | -10.1 | 173.3 | -68.1 | -178.2 | 0 | 0 | 0 | 112.9 | V217 L229 V233 Y236 L253 P254 D255 F262 L276 | V217-L257 HydrophobicContact CG1-CD2 4.47Å; V217-L257 HydrophobicContact CG1-CG 4.09Å; V217-L257 HydrophobicContact CG2-CD1 3.85Å; V217-L257 HydrophobicContact CG2-CD2 4.35Å; V217-L257 HydrophobicContact CG2-CG 4.09Å; L229-L257 HydrophobicContact CD1-CD2 4.28Å; V233-L257 HydrophobicContact CG2-CD2 4.2Å; Y236-L257 HydrophobicContact CD2-CD1 3.65Å; Y236-L257 HydrophobicContact CE2-CD1 3.68Å; Y236-L257 HydrophobicContact CG-CD1 4.46Å; L253-L257 HydrophobicContact CD1-CD1 3.87Å; L253-L257 HydrophobicContact CD2-CB 4.45Å; L253-L257 HydrophobicContact CG-CB 4.45Å; P254-L257 PolarHBondContact O-N 3.14Å; P254-L257 VanDerWaalsContact O-N 3.09Å; D255-L257 PolarHBondContact O-N 3.45Å; D255-L257 VanDerWaalsContact O-N 3.12Å; L257-F262 HydrophobicContact CD2-CD2 3.94Å; L257-F262 HydrophobicContact CD2-CE2 3.86Å; L257-L276 HydrophobicContact CB-CD1 4.05Å; L257-L276 HydrophobicContact CD2-CD1 4.12Å; L257-L276 WeakPolarHBondContact O-CD1 3.41Å |
| 258 | K | 94.6 | Very high | 95.7 | Very high | 102 Ų | 102 | 66.9 Ų | 66.9 | 44% | 0.443 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -27.3 | 178.6 | -56 | 174.3 | -162.4 | 149.8 | 0 | 112.2 | L253 D255 | L253-K258 HydrophobicContact CD2-CG 3.97Å; L253-K258 WeakPolarHBondContact O-CE 3.28Å; L253-K258 PolarHBondContact O-NZ 3.05Å; D255-K258 WeakPolarHBondContact O-CA 3.23Å; D255-K258 WeakPolarHBondContact O-CB 3.31Å; D255-K258 PolarHBondContact O-N 3.22Å; D255-K258 IonicContact OD1-NZ 2.67Å; D255-K258 PolarHBondContact OD1-NZ 2.97Å |
| 259 | D | 94.4 | Very high | 95.7 | Very high | 87 Ų | 87 | 67.4 Ų | 67.4 | 47% | 0.465 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -95.5 | -166.2 | -178.7 | 71.2 | 20.6 | 0 | 0 | 0 | 112.8 | D255 Q256 T261 | D255-D259 VanDerWaalsContact O-CG 3.29Å; D255-D259 PolarHBondContact O-N 3.35Å; Q256-D259 WeakPolarHBondContact CA-OD1 3.48Å; D259-T261 VanDerWaalsContact CG-OG1 3.25Å; D259-T261 WeakPolarHBondContact OD1-CA 3.44Å; D259-T261 WeakPolarHBondContact OD1-CB 3.4Å; D259-T261 PolarHBondContact OD1-N 3.46Å; D259-T261 PolarHBondContact OD1-OG1 2.95Å; D259-T261 PolarHBondContact OD2-OG1 2.79Å |
| 260 | S | 94.8 | Very high | 95.7 | Very high | 99 Ų | 99 | 71.9 Ų | 71.9 | 69% | 0.692 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -87.7 | 7.4 | -178.9 | 56.4 | 0 | 0 | 0 | 0 | 114.6 | F262 A263 | S260-F262 VanDerWaalsContact C-N 3.29Å; S260-F262 PolarHBondContact O-N 3.03Å; S260-A263 VanDerWaalsContact O-CB 3.23Å; S260-A263 WeakPolarHBondContact O-CB 3.27Å; S260-A263 PolarHBondContact O-N 2.86Å |
| 261 | T | 97.4 | Very high | 95.8 | Very high | 57 Ų | 57 | 70.4 Ų | 70.4 | 35% | 0.35 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -46.2 | -175.2 | -66.8 | 0 | 0 | 0 | 0 | 112.2 | Q256 D259 | Q256-T261 HydrophobicContact CB-CG2 3.95Å; Q256-T261 HydrophobicContact CG-CG2 4.03Å; D259-T261 VanDerWaalsContact CG-OG1 3.25Å; D259-T261 WeakPolarHBondContact OD1-CA 3.44Å; D259-T261 WeakPolarHBondContact OD1-CB 3.4Å; D259-T261 PolarHBondContact OD1-N 3.46Å; D259-T261 PolarHBondContact OD1-OG1 2.95Å; D259-T261 PolarHBondContact OD2-OG1 2.79Å |
| 262 | F | 97.3 | Very high | 96 | Very high | 6 Ų | 6 | 62 Ų | 62 | 3% | 0.026 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 6.9 | -177.8 | -60.8 | -63.3 | 0 | 0 | 0 | 114.6 | V217 L220 L229 Q256 L257 S260 Q264 V265 L266 | V217-F262 HydrophobicContact CG1-CE2 3.86Å; V217-F262 HydrophobicContact CG1-CZ 4.04Å; L220-F262 HydrophobicContact CB-CE1 3.88Å; L220-F262 HydrophobicContact CB-CZ 4.02Å; L229-F262 HydrophobicContact CD1-CD1 4.36Å; L229-F262 HydrophobicContact CD1-CD2 4.2Å; L229-F262 HydrophobicContact CD1-CE1 4.35Å; L229-F262 HydrophobicContact CD1-CE2 4.19Å; L229-F262 HydrophobicContact CD1-CG 4.28Å; L229-F262 HydrophobicContact CD1-CZ 4.27Å; L229-F262 HydrophobicContact CD2-CB 3.87Å; L229-F262 HydrophobicContact CD2-CD1 3.67Å; L229-F262 HydrophobicContact CD2-CD2 4.41Å; L229-F262 HydrophobicContact CD2-CE1 4.33Å; L229-F262 HydrophobicContact CD2-CG 3.72Å; Q256-F262 HydrophobicContact CB-CD2 4.46Å; Q256-F262 HydrophobicContact CB-CE2 3.69Å; Q256-F262 HydrophobicContact CB-CZ 4.24Å; Q256-F262 WeakPolarHBondContact O-CD2 3.35Å; Q256-F262 WeakPolarHBondContact O-CE2 3.36Å; L257-F262 HydrophobicContact CD2-CD2 3.94Å; L257-F262 HydrophobicContact CD2-CE2 3.86Å; S260-F262 VanDerWaalsContact C-N 3.29Å; S260-F262 PolarHBondContact O-N 3.03Å; F262-Q264 VanDerWaalsContact C-N 3.29Å; F262-Q264 PolarHBondContact O-N 3.2Å; F262-V265 PolarHBondContact O-N 3.05Å; F262-L266 HydrophobicContact CB-CD1 3.96Å; F262-L266 HydrophobicContact CB-CG 4.16Å; F262-L266 WeakPolarHBondContact O-CB 3.46Å; F262-L266 WeakPolarHBondContact O-CG 3.49Å; F262-L266 PolarHBondContact O-N 3.34Å |
| 263 | A | 94.6 | Very high | 96.1 | Very high | 56 Ų | 56 | 62.9 Ų | 62.9 | 46% | 0.463 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -39.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113 | S260 K267 | S260-A263 VanDerWaalsContact O-CB 3.23Å; S260-A263 WeakPolarHBondContact O-CB 3.27Å; S260-A263 PolarHBondContact O-N 2.86Å; A263-K267 PolarHBondContact O-N 3.19Å |
| 264 | Q | 94.3 | Very high | 96.1 | Very high | 156 Ų | 156 | 71 Ų | 71 | 73% | 0.729 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -46.5 | 178 | -68.9 | -63.3 | -7.3 | 0 | 0 | 112.5 | F262 L266 K267 | F262-Q264 VanDerWaalsContact C-N 3.29Å; F262-Q264 PolarHBondContact O-N 3.2Å; Q264-L266 PolarHBondContact O-N 3.45Å; Q264-K267 VanDerWaalsContact O-CB 3.25Å; Q264-K267 WeakPolarHBondContact O-CB 3.34Å; Q264-K267 PolarHBondContact O-N 3.35Å; Q264-K267 VanDerWaalsContact O-N 3.07Å |
| 265 | V | 94.4 | Very high | 96.1 | Very high | 46 Ų | 46 | 73 Ų | 73 | 28% | 0.279 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -33.1 | 179.4 | -178.3 | 0 | 0 | 0 | 0 | 111.2 | P224 A226 L229 F262 | P224-V265 HydrophobicContact CB-CG1 4.48Å; P224-V265 HydrophobicContact CB-CG2 3.77Å; P224-V265 HydrophobicContact CG-CG2 4.25Å; A226-V265 HydrophobicContact CB-CG1 4.06Å; L229-V265 HydrophobicContact CD2-CG1 4.3Å; F262-V265 PolarHBondContact O-N 3.05Å |
| 266 | L | 95 | Very high | 96.2 | Very high | 5 Ų | 5 | 69.4 Ų | 69.4 | 3% | 0.026 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 2.5 | 180 | -64.9 | -179.8 | 0 | 0 | 0 | 113.7 | L229 F262 Q264 D268 D269 T272 K273 L276 | L229-L266 HydrophobicContact CD2-CD1 4.28Å; L229-L266 HydrophobicContact CD2-CD2 3.68Å; L229-L266 HydrophobicContact CD2-CG 3.94Å; L229-L266 HydrophobicContact CG-CD2 4.4Å; F262-L266 HydrophobicContact CB-CD1 3.96Å; F262-L266 HydrophobicContact CB-CG 4.16Å; F262-L266 WeakPolarHBondContact O-CB 3.46Å; F262-L266 WeakPolarHBondContact O-CG 3.49Å; F262-L266 PolarHBondContact O-N 3.34Å; Q264-L266 PolarHBondContact O-N 3.45Å; L266-D268 PolarHBondContact O-N 2.84Å; L266-D268 VanDerWaalsContact O-N 3.1Å; L266-D269 HydrophobicContact CD2-CB 4.46Å; L266-D269 PolarHBondContact O-N 3.13Å; L266-D269 VanDerWaalsContact O-N 3.12Å; L266-T272 HydrophobicContact CD1-CG2 4.43Å; L266-T272 HydrophobicContact CD2-CG2 3.51Å; L266-K273 HydrophobicContact CB-CG 3.91Å; L266-K273 VanDerWaalsContact O-CD 3.26Å; L266-K273 WeakPolarHBondContact O-CD 3.23Å; L266-K273 WeakPolarHBondContact O-CE 3Å; L266-K273 PolarHBondContact O-NZ 3.33Å; L266-L276 HydrophobicContact CD1-CD2 4.04Å |
| 267 | K | 93.3 | Very high | 96.2 | Very high | 128 Ų | 128 | 70 Ų | 70 | 56% | 0.557 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -49.2 | -45.9 | -171.9 | -175.5 | -177.5 | 172.4 | -172.2 | 0 | 112.3 | A263 Q264 K273 | A263-K267 PolarHBondContact O-N 3.19Å; Q264-K267 VanDerWaalsContact O-CB 3.25Å; Q264-K267 WeakPolarHBondContact O-CB 3.34Å; Q264-K267 PolarHBondContact O-N 3.35Å; Q264-K267 VanDerWaalsContact O-N 3.07Å; K267-K273 VanDerWaalsContact CA-NZ 3.33Å; K267-K273 PolarHBondContact O-NZ 3.03Å |
| 268 | D | 94.4 | Very high | 96.2 | Very high | 142 Ų | 142 | 73.6 Ų | 73.6 | 76% | 0.759 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -100.8 | -8.2 | -175.7 | -52.7 | -46.8 | 0 | 0 | 0 | 113.5 | L266 T270 | L266-D268 PolarHBondContact O-N 2.84Å; L266-D268 VanDerWaalsContact O-N 3.1Å; D268-T270 PolarHBondContact O-N 3.24Å |
| 269 | D | 96.2 | Very high | 96.4 | Very high | 31 Ų | 31 | 68.7 Ų | 68.7 | 17% | 0.166 | 37% | 0.365 | C | S | . | . | trans | -92.2 | 79.5 | 176.8 | -167.7 | -14.9 | 0 | 0 | 0 | 111.7 | L266 T271 T272 K273 | L266-D269 HydrophobicContact CD2-CB 4.46Å; L266-D269 PolarHBondContact O-N 3.13Å; L266-D269 VanDerWaalsContact O-N 3.12Å; D269-T271 PolarHBondContact O-N 2.83Å; D269-T271 PolarHBondContact OD1-N 3Å; D269-T272 PolarHBondContact O-N 3.23Å; D269-T272 PolarHBondContact OD1-N 2.97Å; D269-T272 PolarHBondContact OD1-OG1 3.33Å; D269-T272 WeakPolarHBondContact OD2-CB 3.44Å; D269-T272 PolarHBondContact OD2-OG1 3.48Å; D269-K273 WeakPolarHBondContact O-CG 3.32Å; D269-K273 PolarHBondContact O-N 2.94Å; D269-K273 VanDerWaalsContact O-N 3.08Å | ||
| 270 | T | 96.6 | Very high | 96.5 | Very high | 95 Ų | 95 | 66.7 Ų | 66.7 | 58% | 0.583 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -60 | -29.2 | 178.8 | 58 | 0 | 0 | 0 | 0 | 113.3 | D268 R274 | D268-T270 PolarHBondContact O-N 3.24Å; T270-R274 PolarHBondContact O-N 2.74Å; T270-R274 VanDerWaalsContact O-N 3.13Å |
| 271 | T | 97.8 | Very high | 96.6 | Very high | 50 Ų | 50 | 66.9 Ų | 66.9 | 31% | 0.307 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -71.2 | -50.7 | -179.2 | -61.1 | 0 | 0 | 0 | 0 | 110.2 | D269 K273 R274 W275 | D269-T271 PolarHBondContact O-N 2.83Å; D269-T271 PolarHBondContact OD1-N 3Å; T271-K273 VanDerWaalsContact C-N 3.32Å; T271-K273 PolarHBondContact O-N 3.13Å; T271-R274 PolarHBondContact O-N 3.43Å; T271-W275 HydrophobicContact CG2-CD2 3.97Å; T271-W275 VanDerWaalsContact CG2-CE2 3.47Å; T271-W275 HydrophobicContact CG2-CE3 4.27Å; T271-W275 HydrophobicContact CG2-CH2 3.73Å; T271-W275 HydrophobicContact CG2-CZ2 3.35Å; T271-W275 HydrophobicContact CG2-CZ3 4.18Å; T271-W275 PolarHBondContact O-N 2.91Å |
| 272 | T | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.2 | -36.3 | 179.7 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | K230 V233 L266 D269 R274 W275 L276 | K230-T272 WeakPolarHBondContact CB-OG1 3.31Å; K230-T272 VanDerWaalsContact CG-OG1 3.3Å; K230-T272 WeakPolarHBondContact CG-OG1 3.44Å; V233-T272 HydrophobicContact CB-CG2 4Å; V233-T272 HydrophobicContact CG1-CG2 4.11Å; V233-T272 HydrophobicContact CG2-CG2 3.96Å; L266-T272 HydrophobicContact CD1-CG2 4.43Å; L266-T272 HydrophobicContact CD2-CG2 3.51Å; D269-T272 PolarHBondContact O-N 3.23Å; D269-T272 PolarHBondContact OD1-N 2.97Å; D269-T272 PolarHBondContact OD1-OG1 3.33Å; D269-T272 WeakPolarHBondContact OD2-CB 3.44Å; D269-T272 PolarHBondContact OD2-OG1 3.48Å; T272-R274 PolarHBondContact O-N 3.18Å; T272-W275 PolarHBondContact O-N 3.41Å; T272-L276 WeakPolarHBondContact O-CB 3.48Å; T272-L276 PolarHBondContact O-N 2.99Å |
| 273 | K | 97.6 | Very high | 96.4 | Very high | 85 Ų | 85 | 65.2 Ų | 65.2 | 37% | 0.37 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -56.5 | -47.6 | 170.8 | -78.4 | 174.9 | 157.3 | 169.2 | 0 | 112.7 | L266 K267 D269 T271 W275 L276 A277 | L266-K273 HydrophobicContact CB-CG 3.91Å; L266-K273 VanDerWaalsContact O-CD 3.26Å; L266-K273 WeakPolarHBondContact O-CD 3.23Å; L266-K273 WeakPolarHBondContact O-CE 3Å; L266-K273 PolarHBondContact O-NZ 3.33Å; K267-K273 VanDerWaalsContact CA-NZ 3.33Å; K267-K273 PolarHBondContact O-NZ 3.03Å; D269-K273 WeakPolarHBondContact O-CG 3.32Å; D269-K273 PolarHBondContact O-N 2.94Å; D269-K273 VanDerWaalsContact O-N 3.08Å; T271-K273 VanDerWaalsContact C-N 3.32Å; T271-K273 PolarHBondContact O-N 3.13Å; K273-W275 VanDerWaalsContact C-N 3.34Å; K273-W275 PolarHBondContact O-N 3.48Å; K273-L276 PolarHBondContact O-N 3.4Å; K273-A277 WeakPolarHBondContact O-CB 3.38Å; K273-A277 PolarHBondContact O-N 2.72Å |
| 274 | R | 98.2 | Very high | 96.3 | Very high | 175 Ų | 175 | 68.6 Ų | 68.6 | 66% | 0.66 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62.5 | -42.9 | 178.2 | -173.2 | -174.3 | -61.1 | 155.9 | 2 | 111.3 | T270 T271 T272 A277 Q278 | T270-R274 PolarHBondContact O-N 2.74Å; T270-R274 VanDerWaalsContact O-N 3.13Å; T271-R274 PolarHBondContact O-N 3.43Å; T272-R274 PolarHBondContact O-N 3.18Å; R274-A277 PolarHBondContact O-N 3.03Å; R274-Q278 WeakPolarHBondContact O-CB 3.23Å; R274-Q278 PolarHBondContact O-N 3.4Å |
| 275 | W | 98.5 | Very high | 95.5 | Very high | 60 Ų | 60 | 64.7 Ų | 64.7 | 23% | 0.227 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.1 | -41.8 | 177.3 | -66.6 | -18 | 0 | 0 | 0 | 112.5 | K230 V233 R234 L237 T271 T272 K273 Q278 L279 | K230-W275 HydrophobicContact CD-CZ3 4.38Å; K230-W275 HydrophobicContact CG-CE3 4.44Å; K230-W275 HydrophobicContact CG-CZ3 3.7Å; V233-W275 HydrophobicContact CG1-CB 3.82Å; R234-W275 HydrophobicContact CB-CE3 3.92Å; R234-W275 HydrophobicContact CB-CZ3 3.84Å; R234-W275 HydrophobicContact CG-CE3 4.31Å; R234-W275 HydrophobicContact CG-CH2 4.34Å; R234-W275 HydrophobicContact CG-CZ3 4.08Å; L237-W275 HydrophobicContact CD2-CB 3.76Å; L237-W275 HydrophobicContact CD2-CG 3.85Å; T271-W275 HydrophobicContact CG2-CD2 3.97Å; T271-W275 VanDerWaalsContact CG2-CE2 3.47Å; T271-W275 HydrophobicContact CG2-CE3 4.27Å; T271-W275 HydrophobicContact CG2-CH2 3.73Å; T271-W275 HydrophobicContact CG2-CZ2 3.35Å; T271-W275 HydrophobicContact CG2-CZ3 4.18Å; T271-W275 PolarHBondContact O-N 2.91Å; T272-W275 PolarHBondContact O-N 3.41Å; K273-W275 VanDerWaalsContact C-N 3.34Å; K273-W275 PolarHBondContact O-N 3.48Å; W275-Q278 PolarHBondContact O-N 2.93Å; W275-L279 WeakPolarHBondContact O-CB 3.44Å; W275-L279 PolarHBondContact O-N 2.7Å |
| 276 | L | 98.1 | Very high | 94 | Very high | 25 Ų | 25 | 65.4 Ų | 65.4 | 13% | 0.131 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.3 | -44 | 177.1 | -174.2 | 58.1 | 0 | 0 | 0 | 111.7 | V233 L257 L266 T272 K273 Q278 L279 V280 | V233-L276 HydrophobicContact CG1-CB 4.04Å; V233-L276 HydrophobicContact CG1-CD1 4.45Å; V233-L276 HydrophobicContact CG2-CD1 4.46Å; L257-L276 HydrophobicContact CB-CD1 4.05Å; L257-L276 HydrophobicContact CD2-CD1 4.12Å; L257-L276 WeakPolarHBondContact O-CD1 3.41Å; L266-L276 HydrophobicContact CD1-CD2 4.04Å; T272-L276 WeakPolarHBondContact O-CB 3.48Å; T272-L276 PolarHBondContact O-N 2.99Å; K273-L276 PolarHBondContact O-N 3.4Å; L276-Q278 VanDerWaalsContact C-N 3.34Å; L276-Q278 PolarHBondContact O-N 3.33Å; L276-L279 HydrophobicContact CD1-CD2 4.2Å; L276-L279 WeakPolarHBondContact O-CB 3.44Å; L276-L279 PolarHBondContact O-N 3.27Å; L276-V280 WeakPolarHBondContact O-CG2 3.2Å; L276-V280 PolarHBondContact O-N 3.2Å |
| 277 | A | 97.3 | Very high | 92.1 | Very high | 63 Ų | 63 | 71.5 Ų | 71.5 | 52% | 0.521 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61 | -42.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | K273 R274 V280 K281 | K273-A277 WeakPolarHBondContact O-CB 3.38Å; K273-A277 PolarHBondContact O-N 2.72Å; R274-A277 PolarHBondContact O-N 3.03Å; A277-V280 PolarHBondContact O-N 3.47Å; A277-K281 WeakPolarHBondContact O-CB 3.38Å; A277-K281 PolarHBondContact O-N 2.85Å |
| 278 | Q | 98.1 | Very high | 89.8 | Confident | 77 Ų | 77 | 70 Ų | 70 | 36% | 0.36 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.4 | -38.7 | 176.3 | -173.3 | 62.4 | 52.2 | 0 | 0 | 112.1 | L237 R274 W275 L276 K281 N282 | L237-Q278 HydrophobicContact CD1-CB 3.95Å; L237-Q278 HydrophobicContact CD1-CG 3.8Å; R274-Q278 WeakPolarHBondContact O-CB 3.23Å; R274-Q278 PolarHBondContact O-N 3.4Å; W275-Q278 PolarHBondContact O-N 2.93Å; L276-Q278 VanDerWaalsContact C-N 3.34Å; L276-Q278 PolarHBondContact O-N 3.33Å; Q278-K281 WeakPolarHBondContact O-CB 3.34Å; Q278-K281 PolarHBondContact O-N 3.4Å; Q278-N282 PolarHBondContact NE2-OD1 3.01Å; Q278-N282 VanDerWaalsContact O-CG 3.28Å; Q278-N282 PolarHBondContact O-N 3.45Å; Q278-N282 PolarHBondContact O-OD1 3.41Å |
| 279 | L | 98.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.2 | -50.5 | 174.7 | 166.5 | 62.3 | 0 | 0 | 0 | 110.5 | Y236 L237 L253 W275 L276 K281 N282 L283 | Y236-L279 HydrophobicContact CG-CD2 4.39Å; L237-L279 HydrophobicContact CB-CB 4.42Å; L237-L279 HydrophobicContact CD1-CB 4.14Å; L253-L279 HydrophobicContact CD1-CD2 4.08Å; W275-L279 WeakPolarHBondContact O-CB 3.44Å; W275-L279 PolarHBondContact O-N 2.7Å; L276-L279 HydrophobicContact CD1-CD2 4.2Å; L276-L279 WeakPolarHBondContact O-CB 3.44Å; L276-L279 PolarHBondContact O-N 3.27Å; L279-K281 VanDerWaalsContact C-N 3.28Å; L279-K281 PolarHBondContact O-N 3.16Å; L279-N282 PolarHBondContact O-N 2.94Å; L279-L283 HydrophobicContact CD1-CD1 4.28Å; L279-L283 HydrophobicContact CD1-CG 4.35Å; L279-L283 WeakPolarHBondContact O-CG 3.48Å; L279-L283 PolarHBondContact O-N 3.43Å |
| 280 | V | 96.6 | Very high | 85.1 | Confident | 44 Ų | 44 | 68.2 Ų | 68.2 | 27% | 0.267 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.1 | -41.8 | 178.2 | 174.7 | 0 | 0 | 0 | 0 | 110.8 | L276 A277 L283 Q284 | L276-V280 WeakPolarHBondContact O-CG2 3.2Å; L276-V280 PolarHBondContact O-N 3.2Å; A277-V280 PolarHBondContact O-N 3.47Å; V280-L283 PolarHBondContact O-N 3.17Å; V280-Q284 WeakPolarHBondContact O-CG 3.49Å; V280-Q284 PolarHBondContact O-N 3.45Å |
| 281 | K | 96.6 | Very high | 82.9 | Confident | 103 Ų | 103 | 68.8 Ų | 68.8 | 45% | 0.448 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60 | -47.6 | 175.5 | -168.5 | -169.8 | -179.1 | -131.3 | 0 | 112.2 | A277 Q278 L279 L283 Q284 E285 | A277-K281 WeakPolarHBondContact O-CB 3.38Å; A277-K281 PolarHBondContact O-N 2.85Å; Q278-K281 WeakPolarHBondContact O-CB 3.34Å; Q278-K281 PolarHBondContact O-N 3.4Å; L279-K281 VanDerWaalsContact C-N 3.28Å; L279-K281 PolarHBondContact O-N 3.16Å; K281-L283 PolarHBondContact O-N 3.24Å; K281-Q284 WeakPolarHBondContact O-CB 3.49Å; K281-Q284 PolarHBondContact O-N 3.47Å; K281-E285 WeakPolarHBondContact CE-OE1 3.43Å; K281-E285 HydrophobicContact CG-CG 4.48Å; K281-E285 IonicContact NZ-OE1 3.98Å; K281-E285 PolarHBondContact NZ-OE1 2.73Å; K281-E285 WeakPolarHBondContact O-CG 3.28Å; K281-E285 PolarHBondContact O-N 3.32Å |
| 282 | N | 96.6 | Very high | 80.9 | Confident | 11 Ų | 11 | 75.6 Ų | 75.6 | 6% | 0.059 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -57.8 | -33.8 | 178.6 | -75 | 3.3 | 0 | 0 | 0 | 112.3 | S240 R246 Q278 L279 | S240-N282 PolarHBondContact OG-ND2 2.81Å; R246-N282 WeakPolarHBondContact CD-O 3.47Å; Q278-N282 PolarHBondContact NE2-OD1 3.01Å; Q278-N282 VanDerWaalsContact O-CG 3.28Å; Q278-N282 PolarHBondContact O-N 3.45Å; Q278-N282 PolarHBondContact O-OD1 3.41Å; L279-N282 PolarHBondContact O-N 2.94Å |
| 283 | L | 94.8 | Very high | 78.3 | Confident | 18 Ų | 18 | 78.1 Ų | 78.1 | 9% | 0.094 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -76.8 | -24.4 | 178.8 | -62.2 | -177.1 | 0 | 0 | 0 | 113.1 | R246 L249 R250 L253 L279 V280 K281 | R246-L283 HydrophobicContact CG-CD2 3.86Å; R246-L283 WeakPolarHBondContact O-CD2 3.36Å; L249-L283 HydrophobicContact CB-CD1 4.41Å; L249-L283 HydrophobicContact CB-CD2 3.74Å; R250-L283 WeakPolarHBondContact CD-O 3.35Å; R250-L283 HydrophobicContact CG-CB 4.23Å; R250-L283 HydrophobicContact CG-CD2 4.25Å; R250-L283 PolarHBondContact NE-O 3.07Å; L253-L283 HydrophobicContact CB-CD1 4.22Å; L253-L283 HydrophobicContact CD2-CD1 3.62Å; L253-L283 HydrophobicContact CG-CD1 4.38Å; L279-L283 HydrophobicContact CD1-CD1 4.28Å; L279-L283 HydrophobicContact CD1-CG 4.35Å; L279-L283 WeakPolarHBondContact O-CG 3.48Å; L279-L283 PolarHBondContact O-N 3.43Å; V280-L283 PolarHBondContact O-N 3.17Å; K281-L283 PolarHBondContact O-N 3.24Å |
| 284 | Q | 90.9 | Very high | 76 | Confident | 126 Ų | 126 | 78.8 Ų | 78.8 | 59% | 0.589 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -81.6 | -34.8 | 173.8 | -67.1 | 171.4 | -8 | 0 | 0 | 112 | V280 K281 G286 Q287 | V280-Q284 WeakPolarHBondContact O-CG 3.49Å; V280-Q284 PolarHBondContact O-N 3.45Å; K281-Q284 WeakPolarHBondContact O-CB 3.49Å; K281-Q284 PolarHBondContact O-N 3.47Å; Q284-G286 PolarHBondContact O-N 3.26Å; Q284-Q287 PolarHBondContact O-N 2.87Å |
| 285 | E | 78.9 | Confident | 73.4 | Confident | 75 Ų | 75 | 75.6 Ų | 75.6 | 35% | 0.35 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | 126 | 175.6 | -71.8 | 176.1 | -174.7 | 0 | 0 | 110.7 | R250 K281 | R250-E285 PolarHBondContact NH2-O 3Å; K281-E285 WeakPolarHBondContact CE-OE1 3.43Å; K281-E285 HydrophobicContact CG-CG 4.48Å; K281-E285 IonicContact NZ-OE1 3.98Å; K281-E285 PolarHBondContact NZ-OE1 2.73Å; K281-E285 WeakPolarHBondContact O-CG 3.28Å; K281-E285 PolarHBondContact O-N 3.32Å |
| 286 | G | 62 | Low | 71 | Confident | 61 Ų | 61 | 78.1 Ų | 78.1 | 63% | 0.629 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94 | 4.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116 | Q284 V288 | Q284-G286 PolarHBondContact O-N 3.26Å; G286-V288 PolarHBondContact O-N 3.26Å |
| 287 | Q | 55.1 | Low | 68.1 | Low | 132 Ų | 132 | 81 Ų | 81 | 62% | 0.617 | 48% | 0.475 | S | S | * | . | trans | -72.4 | 85.1 | 156 | -76 | -169.7 | -24.2 | 0 | 0 | 108.1 | Q284 T289 | Q284-Q287 PolarHBondContact O-N 2.87Å; Q287-T289 VanDerWaalsContact C-N 3.27Å; Q287-T289 PolarHBondContact O-N 2.82Å | ||
| 288 | V | 45.3 | Very low | 65.6 | Low | 96 Ų | 96 | 83.4 Ų | 83.4 | 58% | 0.582 | 49% | 0.485 | S | S | * | . | trans | -70.7 | 95.4 | 164.9 | -165.8 | 0 | 0 | 0 | 0 | 106 | G286 L296 | G286-V288 PolarHBondContact O-N 3.26Å; V288-L296 HydrophobicContact CB-CD1 4.09Å; V288-L296 HydrophobicContact CG1-CD1 3.61Å; V288-L296 PolarHBondContact O-N 3.42Å | ||
| 289 | T | 47.8 | Very low | 62.7 | Low | 79 Ų | 79 | 92.5 Ų | 92.5 | 49% | 0.485 | 53% | 0.528 | S | S | . | . | B | Isolated β-bridge | trans | -80.4 | 127.4 | 163.2 | 45.1 | 0 | 0 | 0 | 0 | 107.5 | Q287 | Q287-T289 VanDerWaalsContact C-N 3.27Å; Q287-T289 PolarHBondContact O-N 2.82Å |
| 290 | D | 44.2 | Very low | 60.9 | Low | 57 Ų | 57 | 97.2 Ų | 97.2 | 31% | 0.305 | 55% | 0.554 | S | S | . | * | trans | -57.5 | 161.8 | 160.8 | 178.7 | 19 | 0 | 0 | 0 | 108.4 | R292 G293 I294 | D290-R292 PolarHBondContact O-N 3Å; D290-R292 IonicContact OD2-CZ 3.3Å; D290-R292 VanDerWaalsContact OD2-CZ 3.3Å; D290-R292 IonicContact OD2-NE 2.63Å; D290-R292 PolarHBondContact OD2-NE 3.45Å; D290-R292 IonicContact OD2-NH2 2.75Å; D290-R292 PolarHBondContact OD2-NH2 3.29Å; D290-G293 PolarHBondContact O-N 3.25Å; D290-I294 PolarHBondContact N-O 3.37Å | ||
| 291 | A | 49.4 | Very low | 59.1 | Low | 107 Ų | 107 | 99.9 Ų | 99.9 | 88% | 0.884 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.6 | -2.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 292 | R | 56 | Low | 57 | Low | 193 Ų | 193 | 99.8 Ų | 99.8 | 73% | 0.728 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.8 | 4.8 | 178.8 | -62.7 | 175.6 | -71.9 | 180 | -1.6 | 114.2 | D290 | D290-R292 PolarHBondContact O-N 3Å; D290-R292 IonicContact OD2-CZ 3.3Å; D290-R292 VanDerWaalsContact OD2-CZ 3.3Å; D290-R292 IonicContact OD2-NE 2.63Å; D290-R292 PolarHBondContact OD2-NE 3.45Å; D290-R292 IonicContact OD2-NH2 2.75Å; D290-R292 PolarHBondContact OD2-NH2 3.29Å |
| 293 | G | 44.4 | Very low | 54.6 | Low | 54 Ų | 54 | 105 Ų | 105 | 56% | 0.557 | 61% | 0.607 | S | S | * | * | S | Bend | trans | 77.8 | 16.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | D290 | D290-G293 PolarHBondContact O-N 3.25Š|
| 294 | I | 48.9 | Very low | 52.1 | Low | 99 Ų | 99 | 110.4 Ų | 110.4 | 51% | 0.508 | 64% | 0.639 | S | S | . | * | P | Polyproline II helix | trans | -96.7 | 131.7 | -178.6 | -54.2 | 177.7 | 0 | 0 | 0 | 109.5 | D290 L296 | D290-I294 PolarHBondContact N-O 3.37Å; I294-L296 PolarHBondContact O-N 2.88Å |
| 295 | P | 44 | Very low | 49.5 | Very low | 107 Ų | 107 | 109.4 Ų | 109.4 | 70% | 0.695 | 64% | 0.642 | S | S | * | * | B | Isolated β-bridge | trans | -63.9 | 124.6 | 175.3 | -13.8 | 26.2 | 0 | 0 | 0 | 110.9 | ||
| 296 | L | 48.7 | Very low | 47.4 | Very low | 114 Ų | 114 | 111.9 Ų | 111.9 | 60% | 0.597 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 134.7 | 171.5 | -75.7 | 157.2 | 0 | 0 | 0 | 110.2 | V288 I294 | V288-L296 HydrophobicContact CB-CD1 4.09Å; V288-L296 HydrophobicContact CG1-CD1 3.61Å; V288-L296 PolarHBondContact O-N 3.42Å; I294-L296 PolarHBondContact O-N 2.88Å |
| 297 | A | 35.5 | Very low | 46.3 | Very low | 84 Ų | 84 | 115.8 Ų | 115.8 | 69% | 0.694 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -65 | 148.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q299 | A297-Q299 PolarHBondContact O-N 3.36Š|
| 298 | P | 45.7 | Very low | 45.6 | Very low | 114 Ų | 114 | 114.4 Ų | 114.4 | 74% | 0.74 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 132.3 | 179.1 | -8 | 22.4 | 0 | 0 | 0 | 110.1 | ||
| 299 | Q | 37.2 | Very low | 45.6 | Very low | 269 Ų | 269 | 116.1 Ų | 116.1 | 100% | 1.257 | 68% | 0.677 | S | S | * | * | trans | -84.2 | 0 | 163.8 | -74.2 | -171.4 | -5.6 | 0 | 0 | 110.3 | A297 | A297-Q299 PolarHBondContact O-N 3.36Š|
Retrieved 299 of 299 residues in 309.9 ms
(Link to these results)