| 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 | K | 36.4 | Very low | 35.6 | Very low | 216 Ų | 216 | 159.9 Ų | 159.9 | 94% | 0.939 | 76% | 0.755 | S | S | * | * | 0 | -41.2 | 0 | -64.1 | -162.4 | 179.8 | -177.5 | 0 | 115.6 | E4 | K1-E4 VanDerWaalsContact CA-OE2 3.3Å; K1-E4 WeakPolarHBondContact CA-OE2 3.48Å; K1-E4 PolarHBondContact N-OE2 3.18Å | |||
| 2 | L | 30.2 | Very low | 35.6 | Very low | 154 Ų | 154 | 156.3 Ų | 156.3 | 81% | 0.806 | 76% | 0.76 | S | S | * | * | trans | -95.3 | -26.3 | 168.4 | -95.5 | 158.5 | 0 | 0 | 0 | 113.7 | ||||
| 3 | M | 29.5 | Very low | 35.7 | Very low | 176 Ų | 176 | 151.5 Ų | 151.5 | 87% | 0.867 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -76.4 | -20.4 | 175.6 | -69.4 | -75.5 | -163.7 | 0 | 0 | 114.2 | R5 | M3-R5 VanDerWaalsContact C-N 3.33Š|
| 4 | E | 35.9 | Very low | 35.9 | Very low | 134 Ų | 134 | 150.2 Ų | 150.2 | 63% | 0.626 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -81.8 | -11.8 | -179.2 | -75.8 | 160.3 | 131.2 | 0 | 0 | 113.1 | K1 | K1-E4 VanDerWaalsContact CA-OE2 3.3Å; K1-E4 WeakPolarHBondContact CA-OE2 3.48Å; K1-E4 PolarHBondContact N-OE2 3.18Å |
| 5 | R | 32.3 | Very low | 36.3 | Very low | 220 Ų | 220 | 148 Ų | 148 | 83% | 0.83 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -93.9 | 1.5 | -171.8 | -141.8 | -174.8 | -83.7 | -177.3 | -6.5 | 113.9 | M3 | M3-R5 VanDerWaalsContact C-N 3.33Š|
| 6 | I | 42.2 | Very low | 37.1 | Very low | 149 Ų | 149 | 146.5 Ų | 146.5 | 76% | 0.764 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -109.4 | 2.1 | 179.3 | -56.7 | 176 | 0 | 0 | 0 | 111.4 | N8 | I6-N8 PolarHBondContact O-N 2.82Š|
| 7 | Q | 34.9 | Very low | 38.3 | Very low | 145 Ų | 145 | 140.9 Ų | 140.9 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | trans | -77.6 | 94.3 | 177.1 | -109.5 | 164.6 | -13.8 | 0 | 0 | 110.7 | ||||
| 8 | N | 33.7 | Very low | 39.9 | Very low | 104 Ų | 104 | 135.8 Ų | 135.8 | 56% | 0.556 | 69% | 0.692 | S | S | * | * | trans | -72 | 120.3 | 166 | -168 | -4.6 | 0 | 0 | 0 | 108.7 | I6 E10 Y11 | I6-N8 PolarHBondContact O-N 2.82Å; N8-E10 PolarHBondContact O-N 3.11Å; N8-E10 VanDerWaalsContact O-N 3.1Å; N8-Y11 PolarHBondContact O-N 3.37Å | ||
| 9 | P | 37 | Very low | 41.8 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 77% | 0.773 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -5.1 | -171 | 24.2 | -33 | 0 | 0 | 0 | 115.4 | ||
| 10 | E | 38 | Very low | 43.5 | Very low | 162 Ų | 162 | 125.5 Ų | 125.5 | 76% | 0.757 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -4.5 | 178.9 | -69.4 | -166.7 | 151.2 | 0 | 0 | 115 | N8 | N8-E10 PolarHBondContact O-N 3.11Å; N8-E10 VanDerWaalsContact O-N 3.1Å |
| 11 | Y | 41.3 | Very low | 45.1 | Very low | 180 Ų | 180 | 121.7 Ų | 121.7 | 71% | 0.706 | 63% | 0.625 | S | S | * | * | trans | -125.6 | 62.7 | 178.7 | -72.9 | -92.9 | 0 | 0 | 0 | 111.8 | N8 T13 | N8-Y11 PolarHBondContact O-N 3.37Å; Y11-T13 VanDerWaalsContact C-N 3.29Å; Y11-T13 PolarHBondContact O-N 3.06Å; Y11-T13 VanDerWaalsContact O-N 3.1Å | ||
| 12 | S | 35.9 | Very low | 47.2 | Very low | 117 Ų | 117 | 116.4 Ų | 116.4 | 82% | 0.818 | 61% | 0.606 | S | S | * | * | trans | -79.7 | 77.3 | 165.1 | 173.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 13 | T | 36.3 | Very low | 49.8 | Very low | 93 Ų | 93 | 109.4 Ų | 109.4 | 57% | 0.571 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -128.2 | 112.9 | 162.9 | 49.2 | 0 | 0 | 0 | 0 | 110.2 | Y11 M15 | Y11-T13 VanDerWaalsContact C-N 3.29Å; Y11-T13 PolarHBondContact O-N 3.06Å; Y11-T13 VanDerWaalsContact O-N 3.1Å; T13-M15 PolarHBondContact O-N 2.07Å |
| 14 | T | 39.7 | Very low | 52.4 | Low | 134 Ų | 134 | 101.1 Ų | 101.1 | 82% | 0.822 | 53% | 0.53 | S | S | * | . | trans | 26.7 | 76.4 | 146.1 | 57.6 | 0 | 0 | 0 | 0 | 114.8 | D16 | T14-D16 PolarHBondContact O-N 3.4Š| ||
| 15 | M | 40.7 | Very low | 54.7 | Low | 117 Ų | 117 | 97.9 Ų | 97.9 | 58% | 0.576 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | 18.1 | -157.5 | -141 | -179 | 85.1 | 0 | 0 | 115.7 | T13 P19 | T13-M15 PolarHBondContact O-N 2.07Å; M15-P19 WeakPolarHBondContact O-CD 3.37Å |
| 16 | D | 50.1 | Low | 57.3 | Low | 124 Ų | 124 | 96.8 Ų | 96.8 | 66% | 0.663 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -17.3 | 179.8 | -63.9 | -30.3 | 0 | 0 | 0 | 113.8 | T14 | T14-D16 PolarHBondContact O-N 3.4Š|
| 17 | V | 57.4 | Low | 59.4 | Low | 52 Ų | 52 | 93 Ų | 93 | 32% | 0.315 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -24.5 | 179.4 | -164.7 | 0 | 0 | 0 | 0 | 112.2 | V20 I21 | V17-V20 PolarHBondContact O-N 3.37Å; V17-I21 HydrophobicContact CB-CD1 4.41Å; V17-I21 HydrophobicContact CG1-CD1 3.62Å; V17-I21 HydrophobicContact CG1-CG1 4.04Å; V17-I21 VanDerWaalsContact O-CG1 3.31Å; V17-I21 WeakPolarHBondContact O-CG1 3.46Å; V17-I21 PolarHBondContact O-N 3.11Å; V17-I21 VanDerWaalsContact O-N 3.1Å |
| 18 | A | 67.7 | Low | 62 | Low | 48 Ų | 48 | 88.9 Ų | 88.9 | 40% | 0.397 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.4 | -40.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | V20 L22 | A18-V20 VanDerWaalsContact C-N 3.34Å; A18-V20 PolarHBondContact O-N 3.06Å; A18-L22 WeakPolarHBondContact O-CB 3.26Å; A18-L22 PolarHBondContact O-N 3.1Å |
| 19 | P | 75.8 | Confident | 64.6 | Low | 52 Ų | 52 | 90 Ų | 90 | 34% | 0.338 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.6 | -37.9 | 179.1 | -22.2 | 34.2 | 0 | 0 | 0 | 112.8 | M15 L22 A23 L35 | M15-P19 WeakPolarHBondContact O-CD 3.37Å; P19-L22 PolarHBondContact O-N 3.34Å; P19-A23 VanDerWaalsContact O-CB 3.3Å; P19-A23 WeakPolarHBondContact O-CB 3.4Å; P19-A23 PolarHBondContact O-N 2.99Å; P19-L35 HydrophobicContact CB-CD1 4.42Å |
| 20 | V | 76 | Confident | 67 | Low | 14 Ų | 14 | 90.8 Ų | 90.8 | 9% | 0.085 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -72.7 | -43.3 | -179.7 | 176.4 | 0 | 0 | 0 | 0 | 111 | V17 A18 L22 A23 A24 L32 L35 L42 | V17-V20 PolarHBondContact O-N 3.37Å; A18-V20 VanDerWaalsContact C-N 3.34Å; A18-V20 PolarHBondContact O-N 3.06Å; V20-L22 VanDerWaalsContact C-N 3.28Å; V20-L22 PolarHBondContact O-N 3.3Å; V20-A23 PolarHBondContact O-N 2.93Å; V20-A24 VanDerWaalsContact O-CB 3.26Å; V20-A24 WeakPolarHBondContact O-CB 3.12Å; V20-A24 PolarHBondContact O-N 3.25Å; V20-L32 HydrophobicContact CG1-CD2 4.14Å; V20-L35 HydrophobicContact CG2-CB 4.09Å; V20-L35 HydrophobicContact CG2-CD1 3.93Å; V20-L42 HydrophobicContact CB-CD1 4.38Å; V20-L42 HydrophobicContact CB-CD2 4.04Å; V20-L42 HydrophobicContact CG1-CD1 4.08Å; V20-L42 HydrophobicContact CG1-CD2 4.21Å; V20-L42 HydrophobicContact CG2-CD1 3.59Å; V20-L42 HydrophobicContact CG2-CD2 3.66Å; V20-L42 HydrophobicContact CG2-CG 4.23Å |
| 21 | I | 76.7 | Confident | 69.2 | Low | 46 Ų | 46 | 86.8 Ų | 86.8 | 24% | 0.236 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -57.9 | -45.2 | 174.4 | -69.5 | 168.9 | 0 | 0 | 0 | 110.2 | V17 A24 H25 C69 | V17-I21 HydrophobicContact CB-CD1 4.41Å; V17-I21 HydrophobicContact CG1-CD1 3.62Å; V17-I21 HydrophobicContact CG1-CG1 4.04Å; V17-I21 VanDerWaalsContact O-CG1 3.31Å; V17-I21 WeakPolarHBondContact O-CG1 3.46Å; V17-I21 PolarHBondContact O-N 3.11Å; V17-I21 VanDerWaalsContact O-N 3.1Å; I21-A24 PolarHBondContact O-N 2.95Å; I21-H25 PolarHBondContact O-CD2 3.13Å; I21-H25 VanDerWaalsContact O-CG 3.27Å; I21-H25 PolarHBondContact O-N 2.62Å; I21-C69 HydrophobicContact CG1-CB 4.39Å; I21-C69 HydrophobicContact CG2-CB 4.23Å |
| 22 | L | 81 | Confident | 71.2 | Confident | 105 Ų | 105 | 78.2 Ų | 78.2 | 55% | 0.55 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67.6 | -42.1 | -180 | -171.4 | 66.3 | 0 | 0 | 0 | 112.1 | A18 P19 V20 A24 H25 R26 | A18-L22 WeakPolarHBondContact O-CB 3.26Å; A18-L22 PolarHBondContact O-N 3.1Å; P19-L22 PolarHBondContact O-N 3.34Å; V20-L22 VanDerWaalsContact C-N 3.28Å; V20-L22 PolarHBondContact O-N 3.3Å; L22-A24 VanDerWaalsContact C-N 3.31Å; L22-A24 PolarHBondContact O-N 2.84Å; L22-H25 PolarHBondContact O-N 2.76Å; L22-R26 WeakPolarHBondContact O-CG 3.28Å; L22-R26 PolarHBondContact O-N 3.26Å |
| 23 | A | 84 | Confident | 73.6 | Confident | 7 Ų | 7 | 73.9 Ų | 73.9 | 6% | 0.058 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.5 | -39 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | P19 V20 R26 N27 N28 I31 L32 L35 | P19-A23 VanDerWaalsContact O-CB 3.3Å; P19-A23 WeakPolarHBondContact O-CB 3.4Å; P19-A23 PolarHBondContact O-N 2.99Å; V20-A23 PolarHBondContact O-N 2.93Å; A23-R26 CarbonylContact O-C 3.52Å; A23-R26 PolarHBondContact O-N 3.46Å; A23-N27 PolarHBondContact O-N 3.14Å; A23-N27 VanDerWaalsContact O-N 3.09Å; A23-N28 PolarHBondContact O-N 3.05Å; A23-I31 HydrophobicContact CB-CB 4.42Å; A23-I31 HydrophobicContact CB-CG2 3.78Å; A23-L32 HydrophobicContact CB-CD2 3.74Å; A23-L32 HydrophobicContact CB-CG 3.99Å; A23-L35 HydrophobicContact CB-CD1 4Å |
| 24 | A | 83.6 | Confident | 75.8 | Confident | 1 Ų | 1 | 75.4 Ų | 75.4 | 1% | 0.008 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66 | -42.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V20 I21 L22 R26 N27 L32 C69 S72 L75 | V20-A24 VanDerWaalsContact O-CB 3.26Å; V20-A24 WeakPolarHBondContact O-CB 3.12Å; V20-A24 PolarHBondContact O-N 3.25Å; I21-A24 PolarHBondContact O-N 2.95Å; L22-A24 VanDerWaalsContact C-N 3.31Å; L22-A24 PolarHBondContact O-N 2.84Å; A24-R26 PolarHBondContact O-N 2.95Å; A24-N27 WeakPolarHBondContact O-CA 3.36Å; A24-N27 PolarHBondContact O-N 3.1Å; A24-L32 HydrophobicContact CB-CD2 4.18Å; A24-C69 HydrophobicContact CB-CB 4.43Å; A24-C69 VanDerWaalsContact CB-SG 3.52Å; A24-S72 VanDerWaalsContact O-CB 3.26Å; A24-S72 WeakPolarHBondContact O-CB 3.43Å; A24-S72 PolarHBondContact O-OG 3.06Å; A24-L75 HydrophobicContact CB-CB 4.47Å; A24-L75 HydrophobicContact CB-CD2 4.33Å |
| 25 | H | 84.6 | Confident | 77.7 | Confident | 67 Ų | 67 | 71 Ų | 71 | 31% | 0.31 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.3 | -32.5 | 174.3 | -73.4 | -170.3 | 0 | 0 | 0 | 112.6 | I21 L22 N27 R65 C69 | I21-H25 PolarHBondContact O-CD2 3.13Å; I21-H25 VanDerWaalsContact O-CG 3.27Å; I21-H25 PolarHBondContact O-N 2.62Å; L22-H25 PolarHBondContact O-N 2.76Å; H25-N27 VanDerWaalsContact C-N 3.29Å; H25-R65 PolarHBondContact CE1-O 3.14Å; H25-R65 PolarHBondContact NE2-O 3.49Å; H25-C69 PolarHBondContact NE2-N 2.8Å |
| 26 | R | 86.3 | Confident | 79.5 | Confident | 197 Ų | 197 | 67.8 Ų | 67.8 | 74% | 0.743 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -1.7 | 173.7 | -63.7 | -59.4 | -176.2 | 108.9 | -0.7 | 113.7 | L22 A23 A24 N28 | L22-R26 WeakPolarHBondContact O-CG 3.28Å; L22-R26 PolarHBondContact O-N 3.26Å; A23-R26 CarbonylContact O-C 3.52Å; A23-R26 PolarHBondContact O-N 3.46Å; A24-R26 PolarHBondContact O-N 2.95Å; R26-N28 PolarHBondContact O-N 2.98Å |
| 27 | N | 86.6 | Confident | 80.8 | Confident | 70 Ų | 70 | 69.7 Ų | 69.7 | 37% | 0.374 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 39.4 | -178.1 | -167.9 | 41 | 0 | 0 | 0 | 112.7 | A23 A24 H25 S72 P73 A74 | A23-N27 PolarHBondContact O-N 3.14Å; A23-N27 VanDerWaalsContact O-N 3.09Å; A24-N27 WeakPolarHBondContact O-CA 3.36Å; A24-N27 PolarHBondContact O-N 3.1Å; H25-N27 VanDerWaalsContact C-N 3.29Å; N27-S72 PolarHBondContact OD1-OG 3.07Å; N27-P73 WeakPolarHBondContact OD1-CD 3.42Å; N27-A74 WeakPolarHBondContact OD1-CB 3.22Å; N27-A74 PolarHBondContact OD1-N 3.34Å |
| 28 | N | 89.1 | Confident | 81.5 | Confident | 58 Ų | 58 | 74.2 Ų | 74.2 | 31% | 0.31 | 36% | 0.361 | S | S | . | . | trans | -94.6 | 102.1 | -177.5 | -169.4 | -29.2 | 0 | 0 | 0 | 110.7 | A23 R26 E30 I31 L32 | A23-N28 PolarHBondContact O-N 3.05Å; R26-N28 PolarHBondContact O-N 2.98Å; N28-E30 PolarHBondContact O-N 3.13Å; N28-E30 PolarHBondContact OD1-N 3.28Å; N28-I31 HydrophobicContact CB-CB 4.32Å; N28-I31 HydrophobicContact CB-CD1 4.21Å; N28-I31 HydrophobicContact CB-CG1 4.36Å; N28-I31 WeakPolarHBondContact ND2-CD1 3.42Å; N28-I31 PolarHBondContact OD1-N 3.26Å; N28-L32 WeakPolarHBondContact O-CB 3.22Å; N28-L32 VanDerWaalsContact O-CG 3.29Å; N28-L32 WeakPolarHBondContact O-CG 3.47Å; N28-L32 PolarHBondContact O-N 3.31Å | ||
| 29 | Y | 88.1 | Confident | 80.8 | Confident | 126 Ų | 126 | 79.1 Ų | 79.1 | 49% | 0.494 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.4 | -41.1 | -176.6 | -177.5 | -92.4 | 0 | 0 | 0 | 113.5 | L32 T33 A74 L78 | Y29-L32 PolarHBondContact O-N 3.26Å; Y29-T33 WeakPolarHBondContact CE1-OG1 3.49Å; Y29-T33 VanDerWaalsContact O-CB 3.31Å; Y29-T33 WeakPolarHBondContact O-CB 3.3Å; Y29-T33 PolarHBondContact O-N 3.43Å; Y29-T33 PolarHBondContact O-OG1 3.29Å; Y29-A74 HydrophobicContact CD2-CB 4.25Å; Y29-L78 HydrophobicContact CD2-CD1 4.02Å; Y29-L78 HydrophobicContact CD2-CD2 4.33Å; Y29-L78 HydrophobicContact CD2-CG 4.13Å; Y29-L78 HydrophobicContact CE2-CD1 3.99Å; Y29-L78 HydrophobicContact CE2-CD2 3.47Å; Y29-L78 VanDerWaalsContact CE2-CD2 3.47Å; Y29-L78 HydrophobicContact CE2-CG 3.65Å |
| 30 | E | 87.5 | Confident | 79.8 | Confident | 136 Ų | 136 | 79.9 Ų | 79.9 | 64% | 0.636 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -67.1 | -46.7 | -176.6 | -66.8 | -179.6 | -179.1 | 0 | 0 | 111.4 | N28 T33 M34 | N28-E30 PolarHBondContact O-N 3.13Å; N28-E30 PolarHBondContact OD1-N 3.28Å; E30-T33 PolarHBondContact O-N 2.96Å; E30-M34 WeakPolarHBondContact O-CG 3.21Å; E30-M34 PolarHBondContact O-N 3.36Å |
| 31 | I | 85.3 | Confident | 78.5 | Confident | 79 Ų | 79 | 84.5 Ų | 84.5 | 41% | 0.405 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.8 | -45.8 | 178.4 | -61.7 | 178.9 | 0 | 0 | 0 | 109.9 | A23 N28 T33 M34 L35 | A23-I31 HydrophobicContact CB-CB 4.42Å; A23-I31 HydrophobicContact CB-CG2 3.78Å; N28-I31 HydrophobicContact CB-CB 4.32Å; N28-I31 HydrophobicContact CB-CD1 4.21Å; N28-I31 HydrophobicContact CB-CG1 4.36Å; N28-I31 WeakPolarHBondContact ND2-CD1 3.42Å; N28-I31 PolarHBondContact OD1-N 3.26Å; I31-T33 VanDerWaalsContact C-N 3.3Å; I31-T33 PolarHBondContact O-N 3.11Å; I31-M34 PolarHBondContact O-N 3.41Å; I31-L35 HydrophobicContact CG2-CD1 3.83Å; I31-L35 HydrophobicContact CG2-CG 4.3Å; I31-L35 WeakPolarHBondContact O-CB 3.43Å; I31-L35 VanDerWaalsContact O-CG 3.28Å; I31-L35 WeakPolarHBondContact O-CG 3.48Å; I31-L35 PolarHBondContact O-N 3.4Å |
| 32 | L | 83.5 | Confident | 77.3 | Confident | 0 Ų | 0 | 84.1 Ų | 84.1 | 0% | 0 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -59.7 | -42.3 | 176.6 | -75.1 | 169.3 | 0 | 0 | 0 | 111.8 | V20 A23 A24 N28 Y29 M34 L35 L36 A74 L75 L78 | V20-L32 HydrophobicContact CG1-CD2 4.14Å; A23-L32 HydrophobicContact CB-CD2 3.74Å; A23-L32 HydrophobicContact CB-CG 3.99Å; A24-L32 HydrophobicContact CB-CD2 4.18Å; N28-L32 WeakPolarHBondContact O-CB 3.22Å; N28-L32 VanDerWaalsContact O-CG 3.29Å; N28-L32 WeakPolarHBondContact O-CG 3.47Å; N28-L32 PolarHBondContact O-N 3.31Å; Y29-L32 PolarHBondContact O-N 3.26Å; L32-M34 PolarHBondContact O-N 3.4Å; L32-L35 PolarHBondContact O-N 3.44Å; L32-L36 WeakPolarHBondContact O-CB 3.3Å; L32-L36 WeakPolarHBondContact O-CD1 3.25Å; L32-L36 VanDerWaalsContact O-CG 3.3Å; L32-L36 WeakPolarHBondContact O-CG 3.32Å; L32-L36 PolarHBondContact O-N 3Å; L32-A74 HydrophobicContact CD1-CB 3.64Å; L32-L75 HydrophobicContact CD2-CD1 4.34Å; L32-L78 HydrophobicContact CB-CD1 3.7Å |
| 33 | T | 85 | Confident | 76.1 | Confident | 25 Ų | 25 | 83.2 Ų | 83.2 | 15% | 0.153 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 177.6 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | Y29 E30 I31 K37 | Y29-T33 WeakPolarHBondContact CE1-OG1 3.49Å; Y29-T33 VanDerWaalsContact O-CB 3.31Å; Y29-T33 WeakPolarHBondContact O-CB 3.3Å; Y29-T33 PolarHBondContact O-N 3.43Å; Y29-T33 PolarHBondContact O-OG1 3.29Å; E30-T33 PolarHBondContact O-N 2.96Å; I31-T33 VanDerWaalsContact C-N 3.3Å; I31-T33 PolarHBondContact O-N 3.11Å; T33-K37 HydrophobicContact CG2-CD 4.04Å; T33-K37 HydrophobicContact CG2-CG 4.44Å; T33-K37 WeakPolarHBondContact O-CB 3.48Å; T33-K37 WeakPolarHBondContact O-CG 3.28Å; T33-K37 PolarHBondContact O-N 2.86Å |
| 34 | M | 83.9 | Confident | 74.7 | Confident | 126 Ų | 126 | 91 Ų | 91 | 62% | 0.621 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -63.5 | -44.3 | 176.1 | -70.7 | -177.5 | -165.2 | 0 | 0 | 111.7 | E30 I31 L32 K37 Q38 | E30-M34 WeakPolarHBondContact O-CG 3.21Å; E30-M34 PolarHBondContact O-N 3.36Å; I31-M34 PolarHBondContact O-N 3.41Å; L32-M34 PolarHBondContact O-N 3.4Å; M34-K37 PolarHBondContact O-N 2.76Å; M34-Q38 PolarHBondContact O-N 3.4Å |
| 35 | L | 79.4 | Confident | 73.7 | Confident | 40 Ų | 40 | 93 Ų | 93 | 21% | 0.209 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -65.7 | -41.1 | 179.1 | -69.5 | 171.9 | 0 | 0 | 0 | 112.1 | P19 V20 A23 I31 L32 Q38 | P19-L35 HydrophobicContact CB-CD1 4.42Å; V20-L35 HydrophobicContact CG2-CB 4.09Å; V20-L35 HydrophobicContact CG2-CD1 3.93Å; A23-L35 HydrophobicContact CB-CD1 4Å; I31-L35 HydrophobicContact CG2-CD1 3.83Å; I31-L35 HydrophobicContact CG2-CG 4.3Å; I31-L35 WeakPolarHBondContact O-CB 3.43Å; I31-L35 VanDerWaalsContact O-CG 3.28Å; I31-L35 WeakPolarHBondContact O-CG 3.48Å; I31-L35 PolarHBondContact O-N 3.4Å; L32-L35 PolarHBondContact O-N 3.44Å; L35-Q38 PolarHBondContact O-N 3.5Å |
| 36 | L | 77.4 | Confident | 72.7 | Confident | 50 Ų | 50 | 94 Ų | 94 | 26% | 0.262 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -71 | -32.3 | 178.4 | -75 | 163.4 | 0 | 0 | 0 | 112.7 | L32 Q38 L42 L78 T79 | L32-L36 WeakPolarHBondContact O-CB 3.3Å; L32-L36 WeakPolarHBondContact O-CD1 3.25Å; L32-L36 VanDerWaalsContact O-CG 3.3Å; L32-L36 WeakPolarHBondContact O-CG 3.32Å; L32-L36 PolarHBondContact O-N 3Å; L36-Q38 PolarHBondContact O-N 3.03Å; L36-L42 HydrophobicContact CD2-CD1 3.57Å; L36-L42 HydrophobicContact CG-CD1 4.26Å; L36-L78 HydrophobicContact CD1-CB 3.64Å; L36-L78 HydrophobicContact CD1-CD1 3.82Å; L36-L78 HydrophobicContact CD1-CG 4.3Å; L36-T79 HydrophobicContact CD1-CG2 4.44Å; L36-T79 HydrophobicContact CD2-CG2 4.46Å |
| 37 | K | 77.3 | Confident | 71.6 | Confident | 165 Ų | 165 | 87.2 Ų | 87.2 | 72% | 0.717 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -70.6 | -17.8 | 175.7 | -80.4 | 177.2 | 178.2 | 179.9 | 0 | 114 | T33 M34 D39 | T33-K37 HydrophobicContact CG2-CD 4.04Å; T33-K37 HydrophobicContact CG2-CG 4.44Å; T33-K37 WeakPolarHBondContact O-CB 3.48Å; T33-K37 WeakPolarHBondContact O-CG 3.28Å; T33-K37 PolarHBondContact O-N 2.86Å; M34-K37 PolarHBondContact O-N 2.76Å; K37-D39 PolarHBondContact O-N 3.44Å |
| 38 | Q | 72.8 | Confident | 70.5 | Confident | 146 Ų | 146 | 84.9 Ų | 84.9 | 68% | 0.682 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 10.1 | -174.9 | -125.3 | 170.5 | -10.6 | 0 | 0 | 113.4 | M34 L35 L36 V40 | M34-Q38 PolarHBondContact O-N 3.4Å; L35-Q38 PolarHBondContact O-N 3.5Å; L36-Q38 PolarHBondContact O-N 3.03Å; Q38-V40 PolarHBondContact O-N 3.1Å |
| 39 | D | 53.9 | Low | 69.2 | Low | 152 Ų | 152 | 84.7 Ų | 84.7 | 81% | 0.813 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46 | 30.5 | -178.3 | -83.3 | -37.8 | 0 | 0 | 0 | 113.4 | K37 S41 | K37-D39 PolarHBondContact O-N 3.44Å; D39-S41 VanDerWaalsContact C-N 3.25Å; D39-S41 PolarHBondContact O-N 2.92Å |
| 40 | V | 53.9 | Low | 68.4 | Low | 68 Ų | 68 | 80.6 Ų | 80.6 | 41% | 0.412 | 44% | 0.442 | S | S | . | . | trans | -66.6 | 102.8 | 153.7 | -177.2 | 0 | 0 | 0 | 0 | 103.1 | Q38 L42 | Q38-V40 PolarHBondContact O-N 3.1Å; V40-L42 HydrophobicContact CG1-CG 4.45Å; V40-L42 WeakPolarHBondContact O-CG 3.31Å; V40-L42 PolarHBondContact O-N 3.44Å | ||
| 41 | S | 48.8 | Very low | 67.4 | Low | 111 Ų | 111 | 83.1 Ų | 83.1 | 78% | 0.776 | 45% | 0.453 | S | S | * | . | trans | -54.7 | 81.3 | 174.7 | 163.2 | 0 | 0 | 0 | 0 | 108.7 | D39 P43 | D39-S41 VanDerWaalsContact C-N 3.25Å; D39-S41 PolarHBondContact O-N 2.92Å; S41-P43 WeakPolarHBondContact O-CD 3.3Å; S41-P43 VanDerWaalsContact O-N 3.14Å | ||
| 42 | L | 52 | Low | 66.8 | Low | 38 Ų | 38 | 81 Ų | 81 | 20% | 0.199 | 45% | 0.445 | C | S | . | . | trans | -70.4 | 113 | 176.5 | -77.3 | 155 | 0 | 0 | 0 | 104.5 | V20 L36 V40 K44 | V20-L42 HydrophobicContact CB-CD1 4.38Å; V20-L42 HydrophobicContact CB-CD2 4.04Å; V20-L42 HydrophobicContact CG1-CD1 4.08Å; V20-L42 HydrophobicContact CG1-CD2 4.21Å; V20-L42 HydrophobicContact CG2-CD1 3.59Å; V20-L42 HydrophobicContact CG2-CD2 3.66Å; V20-L42 HydrophobicContact CG2-CG 4.23Å; L36-L42 HydrophobicContact CD2-CD1 3.57Å; L36-L42 HydrophobicContact CG-CD1 4.26Å; V40-L42 HydrophobicContact CG1-CG 4.45Å; V40-L42 WeakPolarHBondContact O-CG 3.31Å; V40-L42 PolarHBondContact O-N 3.44Å; L42-K44 PolarHBondContact O-N 3.44Å; L42-K44 VanDerWaalsContact O-N 3.13Å | ||
| 43 | P | 54.3 | Low | 66.2 | Low | 86 Ų | 86 | 86.9 Ų | 86.9 | 56% | 0.558 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 128.4 | 178.2 | 23.8 | -31.6 | 0 | 0 | 0 | 106.7 | S41 P45 | S41-P43 WeakPolarHBondContact O-CD 3.3Å; S41-P43 VanDerWaalsContact O-N 3.14Å; P43-P45 VanDerWaalsContact O-N 3.08Å |
| 44 | K | 56.3 | Low | 65.3 | Low | 170 Ų | 170 | 91.7 Ų | 91.7 | 74% | 0.739 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -46.9 | 124.9 | 175.6 | -76.7 | -171.7 | 177.5 | -172.2 | 0 | 107 | L42 H46 | L42-K44 PolarHBondContact O-N 3.44Å; L42-K44 VanDerWaalsContact O-N 3.13Å; K44-H46 PolarHBondContact O-CD2 2.99Å; K44-H46 PolarHBondContact O-N 3.18Å; K44-H46 VanDerWaalsContact O-N 3.14Å |
| 45 | P | 60.8 | Low | 64.5 | Low | 44 Ų | 44 | 86.6 Ų | 86.6 | 29% | 0.286 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 127.2 | -177 | 20 | -29.2 | 0 | 0 | 0 | 109.1 | P43 L70 | P43-P45 VanDerWaalsContact O-N 3.08Å; P45-L70 HydrophobicContact CB-CD1 4.27Å; P45-L70 HydrophobicContact CB-CD2 3.09Å; P45-L70 HydrophobicContact CB-CG 4.29Å; P45-L70 HydrophobicContact CG-CD2 3.7Å |
| 46 | H | 64.6 | Low | 63.9 | Low | 87 Ų | 87 | 87.5 Ų | 87.5 | 40% | 0.403 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -64 | 153.1 | 177.5 | -66.6 | -171.9 | 0 | 0 | 0 | 109.5 | K44 C50 C52 C55 | K44-H46 PolarHBondContact O-CD2 2.99Å; K44-H46 PolarHBondContact O-N 3.18Å; K44-H46 VanDerWaalsContact O-N 3.14Å; H46-C50 HydrophobicContact CB-CB 3.76Å; H46-C52 PolarHBondContact ND1-SG 3.37Å; H46-C52 VanDerWaalsContact ND1-SG 3.37Å; H46-C55 PolarHBondContact ND1-SG 3.24Å |
| 47 | A | 62.8 | Low | 63.3 | Low | 54 Ų | 54 | 88.2 Ų | 88.2 | 45% | 0.446 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 154.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | G49 C50 | A47-G49 PolarHBondContact O-N 3.28Å; A47-C50 WeakPolarHBondContact O-CB 3.41Å; A47-C50 PolarHBondContact O-N 3.01Å; A47-C50 VanDerWaalsContact O-N 3.13Å |
| 48 | V | 64 | Low | 62.6 | Low | 21 Ų | 21 | 86.4 Ų | 86.4 | 13% | 0.127 | 50% | 0.497 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 126.5 | 175.5 | -168.4 | 0 | 0 | 0 | 0 | 107.7 | L70 L90 D93 L97 | V48-L70 HydrophobicContact CG2-CD1 4.24Å; V48-L90 HydrophobicContact CG2-CD1 3.42Å; V48-L90 VanDerWaalsContact CG2-CD1 3.42Å; V48-D93 HydrophobicContact CB-CB 3.94Å; V48-D93 HydrophobicContact CG1-CB 4.47Å; V48-D93 HydrophobicContact CG2-CB 4.28Å; V48-L97 HydrophobicContact CB-CD1 4.4Å; V48-L97 HydrophobicContact CG1-CD1 3.32Å; V48-L97 HydrophobicContact CG1-CD2 3.42Å; V48-L97 VanDerWaalsContact CG1-CD2 3.42Å; V48-L97 HydrophobicContact CG1-CG 4Å |
| 49 | G | 61.8 | Low | 62.2 | Low | 54 Ų | 54 | 81.7 Ų | 81.7 | 56% | 0.557 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.9 | 10.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | A47 E51 | A47-G49 PolarHBondContact O-N 3.28Å; G49-E51 PolarHBondContact O-N 3.29Å |
| 50 | C | 70.4 | Confident | 62.5 | Low | 41 Ų | 41 | 83.4 Ų | 83.4 | 28% | 0.277 | 48% | 0.477 | S | S | . | . | trans | -61.3 | 127.4 | 175.8 | -174.6 | 0 | 0 | 0 | 0 | 112.9 | H46 A47 C52 C55 | H46-C50 HydrophobicContact CB-CB 3.76Å; A47-C50 WeakPolarHBondContact O-CB 3.41Å; A47-C50 PolarHBondContact O-N 3.01Å; A47-C50 VanDerWaalsContact O-N 3.13Å; C50-C52 PolarHBondContact O-N 3.06Å; C50-C55 HydrophobicContact CB-CB 4.19Å; C50-C55 WeakPolarHBondContact O-CB 3.43Å | ||
| 51 | E | 66.3 | Low | 62.9 | Low | 188 Ų | 188 | 89 Ų | 89 | 88% | 0.879 | 50% | 0.495 | S | S | * | . | trans | -83 | 9.9 | -179.2 | -60 | -171.6 | 157.6 | 0 | 0 | 114.2 | G49 | G49-E51 PolarHBondContact O-N 3.29Š| ||
| 52 | C | 74.5 | Confident | 64 | Low | 34 Ų | 34 | 87.4 Ų | 87.4 | 23% | 0.23 | 48% | 0.478 | C | S | . | . | trans | -60.3 | 146.8 | -179.8 | 95.6 | 0 | 0 | 0 | 0 | 111.5 | H46 C50 L54 C55 S56 | H46-C52 PolarHBondContact ND1-SG 3.37Å; H46-C52 VanDerWaalsContact ND1-SG 3.37Å; C50-C52 PolarHBondContact O-N 3.06Å; C52-L54 PolarHBondContact O-N 2.89Å; C52-C55 HydrophobicContact CB-CB 4.09Å; C52-C55 WeakPolarHBondContact CB-SG 3.39Å; C52-C55 WeakPolarHBondContact O-CA 3.47Å; C52-C55 WeakPolarHBondContact O-CB 3.25Å; C52-C55 PolarHBondContact O-N 3.04Å; C52-C55 WeakPolarHBondContact SG-CB 3.29Å; C52-C55 PolarHBondContact SG-N 2.91Å; C52-C55 CovalentContact SG-SG 2.07Å; C52-C55 PolarHBondContact SG-SG 2.59Å; C52-S56 WeakPolarHBondContact O-CB 3.27Å; C52-S56 PolarHBondContact O-N 3.42Å | ||
| 53 | T | 70.2 | Confident | 64.9 | Low | 125 Ų | 125 | 86.1 Ų | 86.1 | 77% | 0.767 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -56.6 | -38.2 | -177.2 | 52.7 | 0 | 0 | 0 | 0 | 112.7 | A57 | T53-A57 VanDerWaalsContact O-CB 3.26Å; T53-A57 WeakPolarHBondContact O-CB 3.21Å; T53-A57 PolarHBondContact O-N 3.48Å; T53-A57 VanDerWaalsContact O-N 3.11Å |
| 54 | L | 66.4 | Low | 66 | Low | 126 Ų | 126 | 83.1 Ų | 83.1 | 66% | 0.66 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -69.2 | -34.3 | 175.4 | -63.9 | 171.3 | 0 | 0 | 0 | 113 | C52 K58 | C52-L54 PolarHBondContact O-N 2.89Å; L54-K58 WeakPolarHBondContact O-CB 3.06Å; L54-K58 WeakPolarHBondContact O-CG 3.32Å; L54-K58 PolarHBondContact O-N 3.49Å; L54-K58 VanDerWaalsContact O-N 3.11Å |
| 55 | C | 66.5 | Low | 67 | Low | 18 Ų | 18 | 82.1 Ų | 82.1 | 12% | 0.122 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -76.5 | -45.9 | -178.4 | -52.2 | 0 | 0 | 0 | 0 | 110.4 | H46 C50 C52 A57 K58 N59 | H46-C55 PolarHBondContact ND1-SG 3.24Å; C50-C55 HydrophobicContact CB-CB 4.19Å; C50-C55 WeakPolarHBondContact O-CB 3.43Å; C52-C55 HydrophobicContact CB-CB 4.09Å; C52-C55 WeakPolarHBondContact CB-SG 3.39Å; C52-C55 WeakPolarHBondContact O-CA 3.47Å; C52-C55 WeakPolarHBondContact O-CB 3.25Å; C52-C55 PolarHBondContact O-N 3.04Å; C52-C55 WeakPolarHBondContact SG-CB 3.29Å; C52-C55 PolarHBondContact SG-N 2.91Å; C52-C55 CovalentContact SG-SG 2.07Å; C52-C55 PolarHBondContact SG-SG 2.59Å; C55-A57 VanDerWaalsContact C-N 3.32Å; C55-A57 PolarHBondContact O-N 3.35Å; C55-K58 PolarHBondContact O-N 3.08Å; C55-N59 VanDerWaalsContact O-CB 3.25Å; C55-N59 WeakPolarHBondContact O-CB 3.2Å; C55-N59 PolarHBondContact O-N 3.35Å |
| 56 | S | 67.3 | Low | 67.7 | Low | 59 Ų | 59 | 82.8 Ų | 82.8 | 41% | 0.413 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 175.6 | -171.5 | 0 | 0 | 0 | 0 | 111.1 | C52 K60 | C52-S56 WeakPolarHBondContact O-CB 3.27Å; C52-S56 PolarHBondContact O-N 3.42Å; S56-K60 WeakPolarHBondContact O-CB 3.48Å; S56-K60 PolarHBondContact O-N 3.33Å; S56-K60 VanDerWaalsContact O-N 3.14Å |
| 57 | A | 64.1 | Low | 68.3 | Low | 66 Ų | 66 | 78.7 Ų | 78.7 | 55% | 0.545 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.3 | -38.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | T53 C55 | T53-A57 VanDerWaalsContact O-CB 3.26Å; T53-A57 WeakPolarHBondContact O-CB 3.21Å; T53-A57 PolarHBondContact O-N 3.48Å; T53-A57 VanDerWaalsContact O-N 3.11Å; C55-A57 VanDerWaalsContact C-N 3.32Å; C55-A57 PolarHBondContact O-N 3.35Å |
| 58 | K | 63.9 | Low | 69.2 | Low | 127 Ų | 127 | 82 Ų | 82 | 55% | 0.552 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -76.5 | -41.2 | 177.3 | -77.3 | -178.9 | 179.4 | -179.6 | 0 | 113 | L54 C55 K60 K61 D62 | L54-K58 WeakPolarHBondContact O-CB 3.06Å; L54-K58 WeakPolarHBondContact O-CG 3.32Å; L54-K58 PolarHBondContact O-N 3.49Å; L54-K58 VanDerWaalsContact O-N 3.11Å; C55-K58 PolarHBondContact O-N 3.08Å; K58-K60 VanDerWaalsContact C-N 3.31Å; K58-K60 PolarHBondContact O-N 3.25Å; K58-K61 PolarHBondContact O-N 3.11Å; K58-K61 VanDerWaalsContact O-N 3.11Å; K58-D62 PolarHBondContact O-N 3Å |
| 59 | N | 62.3 | Low | 70 | Confident | 47 Ų | 47 | 81.4 Ų | 81.4 | 25% | 0.251 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.8 | -36.1 | 178.3 | -85.4 | -7 | 0 | 0 | 0 | 111.8 | C55 K61 S63 | C55-N59 VanDerWaalsContact O-CB 3.25Å; C55-N59 WeakPolarHBondContact O-CB 3.2Å; C55-N59 PolarHBondContact O-N 3.35Å; N59-K61 PolarHBondContact O-N 3.29Å; N59-S63 WeakPolarHBondContact O-CB 3.37Å; N59-S63 PolarHBondContact O-N 2.93Å |
| 60 | K | 61.3 | Low | 71 | Confident | 188 Ų | 188 | 79.3 Ų | 79.3 | 82% | 0.817 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -58.8 | -18.5 | 174.2 | -90.9 | -175.7 | 175.3 | -179.1 | 0 | 114.5 | S56 K58 | S56-K60 WeakPolarHBondContact O-CB 3.48Å; S56-K60 PolarHBondContact O-N 3.33Å; S56-K60 VanDerWaalsContact O-N 3.14Å; K58-K60 VanDerWaalsContact C-N 3.31Å; K58-K60 PolarHBondContact O-N 3.25Å |
| 61 | K | 62 | Low | 71.7 | Confident | 184 Ų | 184 | 77.3 Ų | 77.3 | 80% | 0.8 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -117.1 | -29.1 | -175.1 | -157.4 | 172.9 | -177.9 | 178.4 | 0 | 113.9 | K58 N59 | K58-K61 PolarHBondContact O-N 3.11Å; K58-K61 VanDerWaalsContact O-N 3.11Å; N59-K61 PolarHBondContact O-N 3.29Å |
| 62 | D | 71.3 | Confident | 72.8 | Confident | 78 Ų | 78 | 68.5 Ų | 68.5 | 42% | 0.417 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -156.5 | 42.2 | -170.1 | -102 | -30.9 | 0 | 0 | 0 | 113.6 | K58 L64 R65 H66 | K58-D62 PolarHBondContact O-N 3Å; D62-L64 VanDerWaalsContact C-N 3.35Å; D62-L64 PolarHBondContact O-N 2.83Å; D62-R65 HydrophobicContact CB-CB 4.4Å; D62-R65 PolarHBondContact O-N 3.18Å; D62-R65 VanDerWaalsContact OD1-CD 3.29Å; D62-R65 WeakPolarHBondContact OD1-CD 3.34Å; D62-R65 IonicContact OD1-NE 3.63Å; D62-R65 IonicContact OD2-NH1 3.51Å; D62-H66 PolarHBondContact O-N 3.33Å |
| 63 | S | 71.9 | Confident | 73.6 | Confident | 12 Ų | 12 | 67.8 Ų | 67.8 | 8% | 0.084 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -52.9 | -44.9 | -178.7 | 57.2 | 0 | 0 | 0 | 0 | 113.8 | N59 R65 H66 S67 E101 Y108 | N59-S63 WeakPolarHBondContact O-CB 3.37Å; N59-S63 PolarHBondContact O-N 2.93Å; S63-R65 PolarHBondContact O-N 3.5Å; S63-H66 PolarHBondContact O-N 3.24Å; S63-S67 PolarHBondContact O-N 2.92Å; S63-S67 PolarHBondContact O-OG 2.66Å; S63-E101 PolarHBondContact OG-OE1 3.26Å; S63-E101 PolarHBondContact OG-OE2 2.94Å; S63-E101 VanDerWaalsContact OG-OE2 3.08Å; S63-Y108 PolarHBondContact OG-OH 3.35Å |
| 64 | L | 77.4 | Confident | 74.5 | Confident | 22 Ų | 22 | 62.1 Ų | 62.1 | 12% | 0.115 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.5 | -42.5 | -178.9 | -176.4 | 64.3 | 0 | 0 | 0 | 112.3 | D62 H66 S67 R68 F104 D107 Y108 L111 | D62-L64 VanDerWaalsContact C-N 3.35Å; D62-L64 PolarHBondContact O-N 2.83Å; L64-H66 VanDerWaalsContact C-N 3.3Å; L64-H66 PolarHBondContact O-N 3.28Å; L64-S67 PolarHBondContact O-N 3Å; L64-R68 VanDerWaalsContact O-CG 3.27Å; L64-R68 WeakPolarHBondContact O-CG 3.36Å; L64-R68 PolarHBondContact O-N 2.93Å; L64-F104 HydrophobicContact CD1-CB 4.49Å; L64-F104 HydrophobicContact CD2-CB 4.33Å; L64-F104 HydrophobicContact CD2-CD1 3.91Å; L64-F104 HydrophobicContact CD2-CG 4.19Å; L64-D107 HydrophobicContact CD1-CB 3.8Å; L64-D107 HydrophobicContact CD2-CB 3.96Å; L64-Y108 HydrophobicContact CD1-CD1 4Å; L64-Y108 HydrophobicContact CD1-CD2 4.49Å; L64-Y108 HydrophobicContact CD1-CE1 3.72Å; L64-Y108 HydrophobicContact CD1-CE2 4.24Å; L64-Y108 HydrophobicContact CD1-CG 4.36Å; L64-L111 HydrophobicContact CD1-CD1 4.07Å |
| 65 | R | 76.6 | Confident | 75.5 | Confident | 150 Ų | 150 | 56.6 Ų | 56.6 | 57% | 0.566 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -64.7 | -38 | -179.8 | -70.3 | -170.8 | 175.3 | -174.4 | -7 | 111.7 | H25 D62 S63 C69 | H25-R65 PolarHBondContact CE1-O 3.14Å; H25-R65 PolarHBondContact NE2-O 3.49Å; D62-R65 HydrophobicContact CB-CB 4.4Å; D62-R65 PolarHBondContact O-N 3.18Å; D62-R65 VanDerWaalsContact OD1-CD 3.29Å; D62-R65 WeakPolarHBondContact OD1-CD 3.34Å; D62-R65 IonicContact OD1-NE 3.63Å; D62-R65 IonicContact OD2-NH1 3.51Å; S63-R65 PolarHBondContact O-N 3.5Å; R65-C69 PolarHBondContact O-N 3.2Å |
| 66 | H | 75.6 | Confident | 76.5 | Confident | 57 Ų | 57 | 56 Ų | 56 | 26% | 0.264 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.1 | -50.9 | 174.6 | -174.1 | 59.8 | 0 | 0 | 0 | 110.6 | D62 S63 L64 R68 C69 L70 | D62-H66 PolarHBondContact O-N 3.33Å; S63-H66 PolarHBondContact O-N 3.24Å; L64-H66 VanDerWaalsContact C-N 3.3Å; L64-H66 PolarHBondContact O-N 3.28Å; H66-R68 VanDerWaalsContact C-N 3.3Å; H66-R68 PolarHBondContact O-N 2.88Å; H66-C69 VanDerWaalsContact O-CB 3.25Å; H66-C69 WeakPolarHBondContact O-CB 3.41Å; H66-C69 PolarHBondContact O-N 3.41Å; H66-L70 WeakPolarHBondContact O-CG 3.28Å; H66-L70 PolarHBondContact O-N 2.96Å |
| 67 | S | 77.4 | Confident | 77.6 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.014 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.9 | -40.1 | 177.8 | -60.1 | 0 | 0 | 0 | 0 | 113.1 | S63 L64 C69 L70 A71 | S63-S67 PolarHBondContact O-N 2.92Å; S63-S67 PolarHBondContact O-OG 2.66Å; L64-S67 PolarHBondContact O-N 3Å; S67-C69 VanDerWaalsContact C-N 3.32Å; S67-C69 PolarHBondContact O-N 3.03Å; S67-L70 PolarHBondContact O-N 3.02Å; S67-A71 WeakPolarHBondContact O-CB 3.29Å; S67-A71 PolarHBondContact O-N 2.99Å |
| 68 | R | 82.2 | Confident | 78.6 | Confident | 123 Ų | 123 | 55.7 Ų | 55.7 | 46% | 0.464 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.3 | -35.2 | 174.1 | -71.8 | -179.2 | 91.6 | 162.9 | 8.6 | 113.8 | L64 H66 L111 | L64-R68 VanDerWaalsContact O-CG 3.27Å; L64-R68 WeakPolarHBondContact O-CG 3.36Å; L64-R68 PolarHBondContact O-N 2.93Å; H66-R68 VanDerWaalsContact C-N 3.3Å; H66-R68 PolarHBondContact O-N 2.88Å; R68-L111 HydrophobicContact CB-CD1 4.34Å; R68-L111 HydrophobicContact CB-CD2 4.3Å; R68-L111 HydrophobicContact CG-CD1 3.38Å; R68-L111 HydrophobicContact CG-CD2 3.75Å; R68-L111 HydrophobicContact CG-CG 4.11Å |
| 69 | C | 81.6 | Confident | 79.5 | Confident | 8 Ų | 8 | 52 Ų | 52 | 5% | 0.054 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.7 | -46.2 | 175.6 | -177.4 | 0 | 0 | 0 | 0 | 110.3 | I21 A24 H25 R65 H66 S67 A71 S72 L75 | I21-C69 HydrophobicContact CG1-CB 4.39Å; I21-C69 HydrophobicContact CG2-CB 4.23Å; A24-C69 HydrophobicContact CB-CB 4.43Å; A24-C69 VanDerWaalsContact CB-SG 3.52Å; H25-C69 PolarHBondContact NE2-N 2.8Å; R65-C69 PolarHBondContact O-N 3.2Å; H66-C69 VanDerWaalsContact O-CB 3.25Å; H66-C69 WeakPolarHBondContact O-CB 3.41Å; H66-C69 PolarHBondContact O-N 3.41Å; S67-C69 VanDerWaalsContact C-N 3.32Å; S67-C69 PolarHBondContact O-N 3.03Å; C69-A71 VanDerWaalsContact C-N 3.34Å; C69-A71 PolarHBondContact O-N 3.36Å; C69-S72 WeakPolarHBondContact O-CB 3.41Å; C69-S72 PolarHBondContact O-N 3.23Å; C69-L75 VanDerWaalsContact O-CD2 3.22Å; C69-L75 WeakPolarHBondContact O-CD2 3.26Å |
| 70 | L | 81.1 | Confident | 80.6 | Confident | 10 Ų | 10 | 52.9 Ų | 52.9 | 5% | 0.052 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.2 | -35.3 | -177.1 | -54 | -166.2 | 0 | 0 | 0 | 112.4 | P45 V48 H66 S67 S72 I76 L90 | P45-L70 HydrophobicContact CB-CD1 4.27Å; P45-L70 HydrophobicContact CB-CD2 3.09Å; P45-L70 HydrophobicContact CB-CG 4.29Å; P45-L70 HydrophobicContact CG-CD2 3.7Å; V48-L70 HydrophobicContact CG2-CD1 4.24Å; H66-L70 WeakPolarHBondContact O-CG 3.28Å; H66-L70 PolarHBondContact O-N 2.96Å; S67-L70 PolarHBondContact O-N 3.02Å; L70-S72 PolarHBondContact O-N 3.38Å; L70-I76 WeakPolarHBondContact O-CG1 3.26Å; L70-L90 HydrophobicContact CB-CD1 4.37Å; L70-L90 HydrophobicContact CB-CD2 4.26Å; L70-L90 VanDerWaalsContact O-CD2 3.32Å; L70-L90 WeakPolarHBondContact O-CD2 3.49Å |
| 71 | A | 86.3 | Confident | 81.8 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -6.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | S67 C69 P73 L90 L94 L111 | S67-A71 WeakPolarHBondContact O-CB 3.29Å; S67-A71 PolarHBondContact O-N 2.99Å; C69-A71 VanDerWaalsContact C-N 3.34Å; C69-A71 PolarHBondContact O-N 3.36Å; A71-P73 VanDerWaalsContact O-CD 3.3Å; A71-P73 WeakPolarHBondContact O-CD 3.22Å; A71-L90 HydrophobicContact CB-CD2 4.27Å; A71-L94 HydrophobicContact CB-CD1 4.16Å; A71-L111 HydrophobicContact CB-CB 4.23Å; A71-L111 HydrophobicContact CB-CD2 4.06Å |
| 72 | S | 89.3 | Confident | 83.1 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.014 | 22% | 0.219 | C | C | . | . | trans | -65.7 | 120.3 | -178.4 | -173.5 | 0 | 0 | 0 | 0 | 111.5 | A24 N27 C69 L70 A74 L75 I76 | A24-S72 VanDerWaalsContact O-CB 3.26Å; A24-S72 WeakPolarHBondContact O-CB 3.43Å; A24-S72 PolarHBondContact O-OG 3.06Å; N27-S72 PolarHBondContact OD1-OG 3.07Å; C69-S72 WeakPolarHBondContact O-CB 3.41Å; C69-S72 PolarHBondContact O-N 3.23Å; L70-S72 PolarHBondContact O-N 3.38Å; S72-A74 VanDerWaalsContact C-N 3.32Å; S72-A74 PolarHBondContact O-N 3.49Å; S72-L75 PolarHBondContact O-N 3.32Å; S72-L75 VanDerWaalsContact O-N 3.1Å; S72-I76 WeakPolarHBondContact O-CG1 3.42Å; S72-I76 PolarHBondContact O-N 3.42Å | ||
| 73 | P | 91.5 | Very high | 84 | Confident | 19 Ų | 19 | 43.4 Ų | 43.4 | 12% | 0.123 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -54.2 | -44.4 | 179.1 | -31.1 | 38.1 | 0 | 0 | 0 | 113.8 | N27 A71 L75 I76 M77 Q114 F118 | N27-P73 WeakPolarHBondContact OD1-CD 3.42Å; A71-P73 VanDerWaalsContact O-CD 3.3Å; A71-P73 WeakPolarHBondContact O-CD 3.22Å; P73-L75 VanDerWaalsContact C-N 3.3Å; P73-L75 PolarHBondContact O-N 3.4Å; P73-I76 PolarHBondContact O-N 3.1Å; P73-M77 WeakPolarHBondContact O-CG 3.36Å; P73-M77 PolarHBondContact O-N 2.83Å; P73-Q114 VanDerWaalsContact CD-NE2 3.33Å; P73-Q114 HydrophobicContact CG-CG 4.4Å; P73-F118 HydrophobicContact CB-CB 4.42Å; P73-F118 HydrophobicContact CB-CD2 3.58Å; P73-F118 HydrophobicContact CB-CE2 4.01Å; P73-F118 HydrophobicContact CB-CG 4.05Å; P73-F118 HydrophobicContact CG-CB 4.23Å; P73-F118 HydrophobicContact CG-CD2 4.29Å; P73-F118 HydrophobicContact CG-CG 4.36Å |
| 74 | A | 89.3 | Confident | 85 | Confident | 7 Ų | 7 | 43.4 Ų | 43.4 | 6% | 0.058 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.1 | -35.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | N27 Y29 L32 S72 L78 | N27-A74 WeakPolarHBondContact OD1-CB 3.22Å; N27-A74 PolarHBondContact OD1-N 3.34Å; Y29-A74 HydrophobicContact CD2-CB 4.25Å; L32-A74 HydrophobicContact CD1-CB 3.64Å; S72-A74 VanDerWaalsContact C-N 3.32Å; S72-A74 PolarHBondContact O-N 3.49Å; A74-L78 WeakPolarHBondContact O-CD1 3.17Å; A74-L78 VanDerWaalsContact O-CG 3.28Å; A74-L78 WeakPolarHBondContact O-CG 3.4Å; A74-L78 PolarHBondContact O-N 3.36Å |
| 75 | L | 86.1 | Confident | 85.7 | Confident | 10 Ų | 10 | 43.5 Ų | 43.5 | 5% | 0.052 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69 | -49.7 | 176.4 | -172 | 68.6 | 0 | 0 | 0 | 110.6 | A24 L32 C69 S72 P73 M77 L78 T79 | A24-L75 HydrophobicContact CB-CB 4.47Å; A24-L75 HydrophobicContact CB-CD2 4.33Å; L32-L75 HydrophobicContact CD2-CD1 4.34Å; C69-L75 VanDerWaalsContact O-CD2 3.22Å; C69-L75 WeakPolarHBondContact O-CD2 3.26Å; S72-L75 PolarHBondContact O-N 3.32Å; S72-L75 VanDerWaalsContact O-N 3.1Å; P73-L75 VanDerWaalsContact C-N 3.3Å; P73-L75 PolarHBondContact O-N 3.4Å; L75-M77 PolarHBondContact O-N 3.04Å; L75-L78 PolarHBondContact O-N 3.47Å; L75-T79 HydrophobicContact CD1-CG2 3.89Å; L75-T79 HydrophobicContact CG-CG2 4.27Å; L75-T79 PolarHBondContact O-N 3.09Å; L75-T79 PolarHBondContact O-OG1 3.29Å |
| 76 | I | 88.5 | Confident | 86.4 | Confident | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -54.1 | -41.8 | 177.9 | -64.3 | 166.9 | 0 | 0 | 0 | 110.7 | L70 S72 P73 L78 E80 P83 R86 L90 F118 | L70-I76 WeakPolarHBondContact O-CG1 3.26Å; S72-I76 WeakPolarHBondContact O-CG1 3.42Å; S72-I76 PolarHBondContact O-N 3.42Å; P73-I76 PolarHBondContact O-N 3.1Å; I76-L78 VanDerWaalsContact C-N 3.3Å; I76-L78 PolarHBondContact O-N 3.22Å; I76-E80 HydrophobicContact CG2-CG 4.21Å; I76-E80 WeakPolarHBondContact O-CB 3.32Å; I76-E80 PolarHBondContact O-N 3.31Å; I76-P83 HydrophobicContact CG2-CB 3.9Å; I76-R86 HydrophobicContact CG2-CB 4.44Å; I76-L90 HydrophobicContact CD1-CD2 4.16Å; I76-F118 HydrophobicContact CB-CE1 4.24Å; I76-F118 HydrophobicContact CD1-CD1 4.46Å; I76-F118 HydrophobicContact CD1-CE1 4.48Å; I76-F118 HydrophobicContact CG2-CE1 3.72Å; I76-F118 HydrophobicContact CG2-CZ 4.2Å |
| 77 | M | 88.9 | Confident | 87.3 | Confident | 68 Ų | 68 | 35.2 Ų | 35.2 | 34% | 0.335 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -66 | -28.6 | 179 | -68.3 | -87.2 | 63.3 | 0 | 0 | 114.8 | P73 L75 P83 F118 L122 | P73-M77 WeakPolarHBondContact O-CG 3.36Å; P73-M77 PolarHBondContact O-N 2.83Å; L75-M77 PolarHBondContact O-N 3.04Å; M77-P83 HydrophobicContact CE-CB 3.19Å; M77-P83 HydrophobicContact CE-CG 3.24Å; M77-F118 HydrophobicContact CE-CE2 4.46Å; M77-F118 HydrophobicContact CE-CZ 3.78Å; M77-F118 HydrophobicContact CG-CE2 3.65Å; M77-F118 HydrophobicContact CG-CZ 3.61Å; M77-F118 HydrophobicContact SD-CE2 3.74Å; M77-F118 HydrophobicContact SD-CZ 3.66Å; M77-L122 HydrophobicContact CE-CD1 4.41Å; M77-L122 HydrophobicContact CE-CD2 3.95Å; M77-L122 HydrophobicContact SD-CD1 4.01Å; M77-L122 HydrophobicContact SD-CD2 4.41Å |
| 78 | L | 85.8 | Confident | 88.1 | Confident | 52 Ų | 52 | 35.1 Ų | 35.1 | 27% | 0.272 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -93.3 | -26.6 | -175.5 | -71 | 169.7 | 0 | 0 | 0 | 112.6 | Y29 L32 L36 A74 L75 I76 | Y29-L78 HydrophobicContact CD2-CD1 4.02Å; Y29-L78 HydrophobicContact CD2-CD2 4.33Å; Y29-L78 HydrophobicContact CD2-CG 4.13Å; Y29-L78 HydrophobicContact CE2-CD1 3.99Å; Y29-L78 HydrophobicContact CE2-CD2 3.47Å; Y29-L78 VanDerWaalsContact CE2-CD2 3.47Å; Y29-L78 HydrophobicContact CE2-CG 3.65Å; L32-L78 HydrophobicContact CB-CD1 3.7Å; L36-L78 HydrophobicContact CD1-CB 3.64Å; L36-L78 HydrophobicContact CD1-CD1 3.82Å; L36-L78 HydrophobicContact CD1-CG 4.3Å; A74-L78 WeakPolarHBondContact O-CD1 3.17Å; A74-L78 VanDerWaalsContact O-CG 3.28Å; A74-L78 WeakPolarHBondContact O-CG 3.4Å; A74-L78 PolarHBondContact O-N 3.36Å; L75-L78 PolarHBondContact O-N 3.47Å; I76-L78 VanDerWaalsContact C-N 3.3Å; I76-L78 PolarHBondContact O-N 3.22Å |
| 79 | T | 83.2 | Confident | 88.5 | Confident | 50 Ų | 50 | 32 Ų | 32 | 31% | 0.307 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -105 | -25.8 | -172 | 60 | 0 | 0 | 0 | 0 | 114.6 | L36 L75 | L36-T79 HydrophobicContact CD1-CG2 4.44Å; L36-T79 HydrophobicContact CD2-CG2 4.46Å; L75-T79 HydrophobicContact CD1-CG2 3.89Å; L75-T79 HydrophobicContact CG-CG2 4.27Å; L75-T79 PolarHBondContact O-N 3.09Å; L75-T79 PolarHBondContact O-OG1 3.29Å |
| 80 | E | 85.8 | Confident | 89 | Confident | 64 Ų | 64 | 31.7 Ų | 31.7 | 30% | 0.299 | 16% | 0.16 | S | C | . | . | trans | -103.4 | 140.7 | -170.5 | -57.8 | -68.1 | 159.3 | 0 | 0 | 112.4 | I76 R86 | I76-E80 HydrophobicContact CG2-CG 4.21Å; I76-E80 WeakPolarHBondContact O-CB 3.32Å; I76-E80 PolarHBondContact O-N 3.31Å; E80-R86 HydrophobicContact CB-CB 4.37Å; E80-R86 HydrophobicContact CG-CB 3.98Å; E80-R86 HydrophobicContact CG-CG 3.77Å; E80-R86 IonicContact OE1-NE 3.85Å | ||
| 81 | E | 85.1 | Confident | 89.6 | Confident | 194 Ų | 194 | 31.3 Ų | 31.3 | 91% | 0.907 | 16% | 0.158 | S | C | * | . | S | Bend | trans | -74.3 | -41.4 | 175.4 | -65.4 | 177.9 | -172.4 | 0 | 0 | 111.8 | P83 | E81-P83 WeakPolarHBondContact O-CD 3.39Š|
| 82 | D | 89.4 | Confident | 89.9 | Confident | 35 Ų | 35 | 32.8 Ų | 32.8 | 19% | 0.187 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -116 | 87.7 | 174 | -171.5 | -21.2 | 0 | 0 | 0 | 110.8 | I84 L85 R86 H138 R159 | D82-I84 VanDerWaalsContact C-N 3.27Å; D82-I84 PolarHBondContact O-N 3.04Å; D82-I84 PolarHBondContact OD1-N 3.02Å; D82-L85 HydrophobicContact CB-CB 4.02Å; D82-L85 VanDerWaalsContact CG-CB 3.48Å; D82-L85 PolarHBondContact O-N 3.31Å; D82-L85 PolarHBondContact OD1-N 3.44Å; D82-R86 PolarHBondContact O-N 3.26Å; D82-R86 VanDerWaalsContact O-N 3.07Å; D82-H138 IonicContact OD2-ND1 2.64Å; D82-R159 VanDerWaalsContact CG-NH1 3.3Å; D82-R159 IonicContact OD1-NH1 3.35Å; D82-R159 PolarHBondContact OD1-NH1 3Å; D82-R159 IonicContact OD2-CZ 3.41Å; D82-R159 IonicContact OD2-NH1 2.78Å; D82-R159 PolarHBondContact OD2-NH1 2.87Å; D82-R159 IonicContact OD2-NH2 3.57Å; D82-R159 PolarHBondContact OD2-NH2 3.39Å |
| 83 | P | 91.7 | Very high | 89.9 | Confident | 22 Ų | 22 | 34.6 Ų | 34.6 | 14% | 0.143 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.3 | -25.7 | -174.9 | 26.6 | -35.9 | 0 | 0 | 0 | 113.4 | I76 M77 E81 A87 F118 L122 | I76-P83 HydrophobicContact CG2-CB 3.9Å; M77-P83 HydrophobicContact CE-CB 3.19Å; M77-P83 HydrophobicContact CE-CG 3.24Å; E81-P83 WeakPolarHBondContact O-CD 3.39Å; P83-A87 VanDerWaalsContact O-CB 3.27Å; P83-A87 WeakPolarHBondContact O-CB 3.35Å; P83-A87 PolarHBondContact O-N 3.41Å; P83-F118 HydrophobicContact CB-CE1 4.33Å; P83-F118 HydrophobicContact CB-CZ 4.28Å; P83-L122 HydrophobicContact CB-CD2 4.27Å; P83-L122 HydrophobicContact CG-CD2 3.87Å |
| 84 | I | 93.2 | Very high | 89.9 | Confident | 12 Ų | 12 | 33.7 Ų | 33.7 | 6% | 0.062 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -73.3 | -44.9 | 178 | -63.4 | 175.8 | 0 | 0 | 0 | 109.4 | D82 A87 F88 L122 I135 F171 | D82-I84 VanDerWaalsContact C-N 3.27Å; D82-I84 PolarHBondContact O-N 3.04Å; D82-I84 PolarHBondContact OD1-N 3.02Å; I84-A87 PolarHBondContact O-N 3.49Å; I84-F88 HydrophobicContact CG2-CD2 4.41Å; I84-F88 HydrophobicContact CG2-CE1 3.93Å; I84-F88 HydrophobicContact CG2-CE2 3.77Å; I84-F88 HydrophobicContact CG2-CZ 3.5Å; I84-F88 WeakPolarHBondContact O-CD1 3.4Å; I84-F88 VanDerWaalsContact O-CG 3.31Å; I84-F88 WeakPolarHBondContact O-CG 3.44Å; I84-F88 PolarHBondContact O-N 2.98Å; I84-F88 VanDerWaalsContact O-N 3.14Å; I84-L122 HydrophobicContact CD1-CD2 4.27Å; I84-L122 HydrophobicContact CG1-CD2 3.69Å; I84-I135 HydrophobicContact CD1-CG2 3.56Å; I84-F171 HydrophobicContact CG2-CE2 3.93Å; I84-F171 HydrophobicContact CG2-CZ 4.23Å |
| 85 | L | 91.6 | Very high | 90 | Very high | 24 Ų | 24 | 38.6 Ų | 38.6 | 13% | 0.126 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.6 | -50.5 | 176 | -175.7 | 54.4 | 0 | 0 | 0 | 110.4 | D82 A87 F88 E89 R159 L162 | D82-L85 HydrophobicContact CB-CB 4.02Å; D82-L85 VanDerWaalsContact CG-CB 3.48Å; D82-L85 PolarHBondContact O-N 3.31Å; D82-L85 PolarHBondContact OD1-N 3.44Å; L85-A87 VanDerWaalsContact C-N 3.28Å; L85-A87 PolarHBondContact O-N 3.21Å; L85-F88 WeakPolarHBondContact O-CB 3.43Å; L85-F88 PolarHBondContact O-N 3.25Å; L85-E89 HydrophobicContact CD1-CG 4.35Å; L85-E89 HydrophobicContact CG-CG 4.47Å; L85-E89 PolarHBondContact O-N 2.9Å; L85-R159 VanDerWaalsContact CB-NH1 3.28Å; L85-R159 VanDerWaalsContact N-NH1 3.19Å; L85-L162 HydrophobicContact CD1-CD2 3.47Å; L85-L162 VanDerWaalsContact CD1-CD2 3.47Å |
| 86 | R | 91.3 | Very high | 90.1 | Very high | 34 Ų | 34 | 44.3 Ų | 44.3 | 13% | 0.128 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.5 | -41.8 | -178.1 | -168.3 | 75.1 | -177 | 117.8 | 7.5 | 111.7 | I76 E80 D82 F88 E89 L90 | I76-R86 HydrophobicContact CG2-CB 4.44Å; E80-R86 HydrophobicContact CB-CB 4.37Å; E80-R86 HydrophobicContact CG-CB 3.98Å; E80-R86 HydrophobicContact CG-CG 3.77Å; E80-R86 IonicContact OE1-NE 3.85Å; D82-R86 PolarHBondContact O-N 3.26Å; D82-R86 VanDerWaalsContact O-N 3.07Å; R86-F88 VanDerWaalsContact C-N 3.29Å; R86-F88 PolarHBondContact O-N 3.25Å; R86-E89 IonicContact NH1-OE2 3.5Å; R86-E89 PolarHBondContact NH1-OE2 3.41Å; R86-E89 PolarHBondContact O-N 2.92Å; R86-L90 WeakPolarHBondContact O-CB 3.35Å; R86-L90 PolarHBondContact O-N 2.92Å |
| 87 | A | 93.6 | Very high | 90 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.3 | -36.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | P83 I84 L85 S91 F118 A119 | P83-A87 VanDerWaalsContact O-CB 3.27Å; P83-A87 WeakPolarHBondContact O-CB 3.35Å; P83-A87 PolarHBondContact O-N 3.41Å; I84-A87 PolarHBondContact O-N 3.49Å; L85-A87 VanDerWaalsContact C-N 3.28Å; L85-A87 PolarHBondContact O-N 3.21Å; A87-S91 VanDerWaalsContact O-CB 3.25Å; A87-S91 WeakPolarHBondContact O-CB 3.14Å; A87-S91 PolarHBondContact O-N 3.46Å; A87-S91 PolarHBondContact O-OG 2.82Å; A87-F118 HydrophobicContact CB-CD1 3.84Å; A87-F118 HydrophobicContact CB-CE1 4.19Å; A87-A119 HydrophobicContact CB-CB 4.06Å |
| 88 | F | 93.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.7 | -50.5 | 176.9 | -65.6 | -10.1 | 0 | 0 | 0 | 111.9 | I84 L85 R86 S91 A92 A119 A163 Y166 Q168 F171 | I84-F88 HydrophobicContact CG2-CD2 4.41Å; I84-F88 HydrophobicContact CG2-CE1 3.93Å; I84-F88 HydrophobicContact CG2-CE2 3.77Å; I84-F88 HydrophobicContact CG2-CZ 3.5Å; I84-F88 WeakPolarHBondContact O-CD1 3.4Å; I84-F88 VanDerWaalsContact O-CG 3.31Å; I84-F88 WeakPolarHBondContact O-CG 3.44Å; I84-F88 PolarHBondContact O-N 2.98Å; I84-F88 VanDerWaalsContact O-N 3.14Å; L85-F88 WeakPolarHBondContact O-CB 3.43Å; L85-F88 PolarHBondContact O-N 3.25Å; R86-F88 VanDerWaalsContact C-N 3.29Å; R86-F88 PolarHBondContact O-N 3.25Å; F88-S91 PolarHBondContact O-N 3.45Å; F88-S91 PolarHBondContact O-OG 3.22Å; F88-A92 PolarHBondContact O-N 2.88Å; F88-A119 HydrophobicContact CD1-CB 4.15Å; F88-A119 HydrophobicContact CE1-CB 3.64Å; F88-A163 HydrophobicContact CE2-CB 3.67Å; F88-A163 HydrophobicContact CZ-CB 3.79Å; F88-Y166 HydrophobicContact CB-CD2 4.07Å; F88-Y166 HydrophobicContact CB-CG 4.15Å; F88-Q168 HydrophobicContact CB-CG 4.48Å; F88-Q168 HydrophobicContact CD1-CB 4.41Å; F88-Q168 HydrophobicContact CD1-CG 3.52Å; F88-Q168 HydrophobicContact CD2-CG 4.45Å; F88-Q168 HydrophobicContact CE1-CB 4.11Å; F88-Q168 HydrophobicContact CE1-CG 3.7Å; F88-Q168 HydrophobicContact CG-CG 3.91Å; F88-Q168 HydrophobicContact CZ-CB 4.49Å; F88-Q168 HydrophobicContact CZ-CG 4.26Å; F88-F171 HydrophobicContact CE1-CB 4.4Å; F88-F171 AromaticContact CE1-CD2 3.96Å; F88-F171 HydrophobicContact CE1-CD2 3.96Å; F88-F171 HydrophobicContact CE1-CE2 4.36Å; F88-F171 HydrophobicContact CE1-CG 4.1Å; F88-F171 HydrophobicContact CZ-CB 4.48Å; F88-F171 AromaticContact CZ-CD1 3.93Å; F88-F171 HydrophobicContact CZ-CD1 3.93Å; F88-F171 AromaticContact CZ-CD2 3.79Å; F88-F171 HydrophobicContact CZ-CD2 3.79Å; F88-F171 HydrophobicContact CZ-CE1 4.02Å; F88-F171 AromaticContact CZ-CE2 3.86Å; F88-F171 HydrophobicContact CZ-CE2 3.86Å; F88-F171 AromaticContact CZ-CG 3.81Å; F88-F171 HydrophobicContact CZ-CG 3.81Å; F88-F171 AromaticContact CZ-CZ 3.98Å; F88-F171 HydrophobicContact CZ-CZ 3.98Å |
| 89 | E | 91.5 | Very high | 90.2 | Very high | 57 Ų | 57 | 45.2 Ų | 45.2 | 27% | 0.266 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58.2 | -52.6 | 177.1 | -68.1 | 175.3 | 165.6 | 0 | 0 | 110.8 | L85 R86 S91 A92 D93 | L85-E89 HydrophobicContact CD1-CG 4.35Å; L85-E89 HydrophobicContact CG-CG 4.47Å; L85-E89 PolarHBondContact O-N 2.9Å; R86-E89 IonicContact NH1-OE2 3.5Å; R86-E89 PolarHBondContact NH1-OE2 3.41Å; R86-E89 PolarHBondContact O-N 2.92Å; E89-S91 VanDerWaalsContact C-N 3.3Å; E89-S91 PolarHBondContact O-N 3.27Å; E89-A92 WeakPolarHBondContact O-CA 3.46Å; E89-A92 WeakPolarHBondContact O-CB 3.31Å; E89-A92 PolarHBondContact O-N 2.76Å; E89-D93 PolarHBondContact O-N 3.19Å |
| 90 | L | 91.1 | Very high | 90.4 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.2 | -39.1 | -177.6 | -174.2 | 61.8 | 0 | 0 | 0 | 112.1 | V48 L70 A71 I76 R86 A92 D93 L94 | V48-L90 HydrophobicContact CG2-CD1 3.42Å; V48-L90 VanDerWaalsContact CG2-CD1 3.42Å; L70-L90 HydrophobicContact CB-CD1 4.37Å; L70-L90 HydrophobicContact CB-CD2 4.26Å; L70-L90 VanDerWaalsContact O-CD2 3.32Å; L70-L90 WeakPolarHBondContact O-CD2 3.49Å; A71-L90 HydrophobicContact CB-CD2 4.27Å; I76-L90 HydrophobicContact CD1-CD2 4.16Å; R86-L90 WeakPolarHBondContact O-CB 3.35Å; R86-L90 PolarHBondContact O-N 2.92Å; L90-A92 PolarHBondContact O-N 3.43Å; L90-D93 PolarHBondContact O-N 2.95Å; L90-L94 HydrophobicContact CD1-CD1 4.39Å; L90-L94 HydrophobicContact CD1-CG 4.31Å; L90-L94 HydrophobicContact CG-CD1 3.97Å; L90-L94 HydrophobicContact CG-CG 4.37Å; L90-L94 WeakPolarHBondContact O-CB 3.44Å; L90-L94 WeakPolarHBondContact O-CD1 3.37Å; L90-L94 WeakPolarHBondContact O-CG 3.33Å; L90-L94 PolarHBondContact O-N 3Å |
| 91 | S | 94.3 | Very high | 90.3 | Very high | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.014 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.6 | -26.1 | 175.7 | 74.2 | 0 | 0 | 0 | 0 | 113.4 | A87 F88 E89 K95 Q168 | A87-S91 VanDerWaalsContact O-CB 3.25Å; A87-S91 WeakPolarHBondContact O-CB 3.14Å; A87-S91 PolarHBondContact O-N 3.46Å; A87-S91 PolarHBondContact O-OG 2.82Å; F88-S91 PolarHBondContact O-N 3.45Å; F88-S91 PolarHBondContact O-OG 3.22Å; E89-S91 VanDerWaalsContact C-N 3.3Å; E89-S91 PolarHBondContact O-N 3.27Å; S91-K95 WeakPolarHBondContact O-CB 3.29Å; S91-K95 PolarHBondContact O-N 3.45Å; S91-Q168 PolarHBondContact OG-NE2 3.28Å |
| 92 | A | 92.1 | Very high | 90.3 | Very high | 31 Ų | 31 | 42.8 Ų | 42.8 | 26% | 0.256 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -79.1 | -45.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | F88 E89 L90 L94 K95 E96 Y166 | F88-A92 PolarHBondContact O-N 2.88Å; E89-A92 WeakPolarHBondContact O-CA 3.46Å; E89-A92 WeakPolarHBondContact O-CB 3.31Å; E89-A92 PolarHBondContact O-N 2.76Å; L90-A92 PolarHBondContact O-N 3.43Å; A92-L94 PolarHBondContact O-N 3.34Å; A92-K95 WeakPolarHBondContact O-CB 3.28Å; A92-K95 PolarHBondContact O-N 3.36Å; A92-K95 VanDerWaalsContact O-N 3.09Å; A92-E96 PolarHBondContact O-N 3.39Å; A92-Y166 HydrophobicContact CB-CD1 3.65Å; A92-Y166 HydrophobicContact CB-CE1 3.94Å |
| 93 | D | 90.4 | Very high | 90.2 | Very high | 41 Ų | 41 | 48.8 Ų | 48.8 | 22% | 0.219 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.2 | -49.3 | 175.4 | -59.6 | -13.1 | 0 | 0 | 0 | 110.6 | V48 E89 L90 K95 E96 L97 | V48-D93 HydrophobicContact CB-CB 3.94Å; V48-D93 HydrophobicContact CG1-CB 4.47Å; V48-D93 HydrophobicContact CG2-CB 4.28Å; E89-D93 PolarHBondContact O-N 3.19Å; L90-D93 PolarHBondContact O-N 2.95Å; D93-K95 PolarHBondContact O-N 3.09Å; D93-E96 WeakPolarHBondContact O-CB 3.13Å; D93-E96 PolarHBondContact O-N 3Å; D93-L97 WeakPolarHBondContact O-CD1 3.48Å; D93-L97 PolarHBondContact O-N 3.02Å |
| 94 | L | 90.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60 | -34 | 177.9 | -70.1 | 167.9 | 0 | 0 | 0 | 112.4 | A71 L90 A92 L97 S98 Y108 L111 A112 | A71-L94 HydrophobicContact CB-CD1 4.16Å; L90-L94 HydrophobicContact CD1-CD1 4.39Å; L90-L94 HydrophobicContact CD1-CG 4.31Å; L90-L94 HydrophobicContact CG-CD1 3.97Å; L90-L94 HydrophobicContact CG-CG 4.37Å; L90-L94 WeakPolarHBondContact O-CB 3.44Å; L90-L94 WeakPolarHBondContact O-CD1 3.37Å; L90-L94 WeakPolarHBondContact O-CG 3.33Å; L90-L94 PolarHBondContact O-N 3Å; A92-L94 PolarHBondContact O-N 3.34Å; L94-L97 PolarHBondContact O-N 3.17Å; L94-S98 PolarHBondContact O-N 3.09Å; L94-Y108 HydrophobicContact CD2-CD1 3.85Å; L94-Y108 HydrophobicContact CD2-CE1 4.31Å; L94-L111 HydrophobicContact CD1-CB 3.88Å; L94-L111 HydrophobicContact CD2-CB 4.47Å; L94-A112 HydrophobicContact CB-CB 3.92Å |
| 95 | K | 91.1 | Very high | 89.7 | Confident | 109 Ų | 109 | 56.6 Ų | 56.6 | 47% | 0.474 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -73.5 | -31.5 | 176.6 | -170.2 | 175.8 | -178.2 | -172.7 | 0 | 112.2 | S91 A92 D93 S98 | S91-K95 WeakPolarHBondContact O-CB 3.29Å; S91-K95 PolarHBondContact O-N 3.45Å; A92-K95 WeakPolarHBondContact O-CB 3.28Å; A92-K95 PolarHBondContact O-N 3.36Å; A92-K95 VanDerWaalsContact O-N 3.09Å; D93-K95 PolarHBondContact O-N 3.09Å; K95-S98 PolarHBondContact O-OG 3.31Å |
| 96 | E | 89.8 | Confident | 89.8 | Confident | 130 Ų | 130 | 61.5 Ų | 61.5 | 61% | 0.607 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -69.4 | -43.5 | 171.4 | -173 | 172.6 | 178.3 | 0 | 0 | 110.6 | A92 D93 S98 L99 V100 | A92-E96 PolarHBondContact O-N 3.39Å; D93-E96 WeakPolarHBondContact O-CB 3.13Å; D93-E96 PolarHBondContact O-N 3Å; E96-S98 VanDerWaalsContact C-N 3.27Å; E96-S98 PolarHBondContact O-N 2.71Å; E96-L99 WeakPolarHBondContact O-CB 3.35Å; E96-L99 PolarHBondContact O-N 3.27Å; E96-V100 PolarHBondContact O-N 2.72Å |
| 97 | L | 86.6 | Confident | 89.8 | Confident | 30 Ų | 30 | 63.3 Ų | 63.3 | 16% | 0.157 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.8 | -35.7 | 175.6 | -89.2 | 80.4 | 0 | 0 | 0 | 112.5 | V48 D93 L94 L99 V100 E101 Y108 | V48-L97 HydrophobicContact CB-CD1 4.4Å; V48-L97 HydrophobicContact CG1-CD1 3.32Å; V48-L97 HydrophobicContact CG1-CD2 3.42Å; V48-L97 VanDerWaalsContact CG1-CD2 3.42Å; V48-L97 HydrophobicContact CG1-CG 4Å; D93-L97 WeakPolarHBondContact O-CD1 3.48Å; D93-L97 PolarHBondContact O-N 3.02Å; L94-L97 PolarHBondContact O-N 3.17Å; L97-L99 PolarHBondContact O-N 3.32Å; L97-V100 PolarHBondContact O-N 3.19Å; L97-V100 VanDerWaalsContact O-N 3.11Å; L97-E101 PolarHBondContact O-N 3.31Å; L97-Y108 HydrophobicContact CB-CD1 4.32Å; L97-Y108 HydrophobicContact CB-CE1 4.3Å; L97-Y108 HydrophobicContact CB-CE2 4.48Å; L97-Y108 HydrophobicContact CB-CG 4.44Å; L97-Y108 HydrophobicContact CD2-CE1 4.07Å |
| 98 | S | 89.5 | Confident | 89.7 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.007 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.5 | -19.2 | 176.6 | 87 | 0 | 0 | 0 | 0 | 113.7 | L94 K95 E96 R105 | L94-S98 PolarHBondContact O-N 3.09Å; K95-S98 PolarHBondContact O-OG 3.31Å; E96-S98 VanDerWaalsContact C-N 3.27Å; E96-S98 PolarHBondContact O-N 2.71Å; S98-R105 WeakPolarHBondContact O-CB 3.16Å; S98-R105 WeakPolarHBondContact O-CG 3.25Å |
| 99 | L | 88.2 | Confident | 89.7 | Confident | 112 Ų | 112 | 67 Ų | 67 | 59% | 0.586 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -88.3 | -29.3 | 174.4 | -60.1 | 174.9 | 0 | 0 | 0 | 112.4 | E96 L97 | E96-L99 WeakPolarHBondContact O-CB 3.35Å; E96-L99 PolarHBondContact O-N 3.27Å; L97-L99 PolarHBondContact O-N 3.32Å |
| 100 | V | 86.9 | Confident | 89.8 | Confident | 110 Ų | 110 | 68.6 Ų | 68.6 | 67% | 0.667 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -83.7 | -48.1 | 179.7 | 179.4 | 0 | 0 | 0 | 0 | 111.2 | E96 L97 | E96-V100 PolarHBondContact O-N 2.72Å; L97-V100 PolarHBondContact O-N 3.19Å; L97-V100 VanDerWaalsContact O-N 3.11Å |
| 101 | E | 85 | Confident | 89.9 | Confident | 52 Ų | 52 | 69 Ų | 69 | 24% | 0.243 | 35% | 0.346 | C | S | . | . | trans | -99.8 | 81.4 | 179.2 | -66.2 | -173.2 | -179.9 | 0 | 0 | 110.1 | S63 L97 E103 F104 R105 Y108 | S63-E101 PolarHBondContact OG-OE1 3.26Å; S63-E101 PolarHBondContact OG-OE2 2.94Å; S63-E101 VanDerWaalsContact OG-OE2 3.08Å; L97-E101 PolarHBondContact O-N 3.31Å; E101-E103 PolarHBondContact O-N 3.49Å; E101-F104 PolarHBondContact O-N 3.42Å; E101-R105 PolarHBondContact O-N 3.02Å; E101-Y108 HydrophobicContact CB-CE2 3.9Å; E101-Y108 WeakPolarHBondContact OE2-CE2 3.3Å; E101-Y108 VanDerWaalsContact OE2-CZ 3.29Å; E101-Y108 PolarHBondContact OE2-OH 2.92Å | ||
| 102 | V | 83.9 | Confident | 89.9 | Confident | 95 Ų | 95 | 69.1 Ų | 69.1 | 58% | 0.576 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -66.1 | -28.9 | -171.9 | -175.6 | 0 | 0 | 0 | 0 | 112.2 | F104 R105 | V102-F104 VanDerWaalsContact C-N 3.27Å; V102-F104 PolarHBondContact O-N 3.26Å; V102-R105 VanDerWaalsContact O-CB 3.29Å; V102-R105 WeakPolarHBondContact O-CB 3.19Å; V102-R105 PolarHBondContact O-N 3.43Å |
| 103 | E | 87.4 | Confident | 90 | Very high | 161 Ų | 161 | 73 Ų | 73 | 75% | 0.752 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -61.2 | -34.2 | -179.7 | -62 | 83.7 | 173.3 | 0 | 0 | 112.6 | E101 | E101-E103 PolarHBondContact O-N 3.49Š|
| 104 | F | 86.2 | Confident | 90.2 | Very high | 92 Ų | 92 | 74.2 Ų | 74.2 | 40% | 0.404 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -111.3 | 17.1 | -179.5 | -56.4 | -66.6 | 0 | 0 | 0 | 112.8 | L64 E101 V102 N106 D107 Y108 | L64-F104 HydrophobicContact CD1-CB 4.49Å; L64-F104 HydrophobicContact CD2-CB 4.33Å; L64-F104 HydrophobicContact CD2-CD1 3.91Å; L64-F104 HydrophobicContact CD2-CG 4.19Å; E101-F104 PolarHBondContact O-N 3.42Å; V102-F104 VanDerWaalsContact C-N 3.27Å; V102-F104 PolarHBondContact O-N 3.26Å; F104-N106 VanDerWaalsContact C-N 3.28Å; F104-N106 PolarHBondContact O-N 3.05Å; F104-D107 PolarHBondContact O-N 3.03Å; F104-Y108 HydrophobicContact CB-CD2 3.97Å; F104-Y108 HydrophobicContact CB-CE2 3.78Å; F104-Y108 WeakPolarHBondContact O-CD2 3.42Å; F104-Y108 PolarHBondContact O-N 3.43Å; F104-Y108 VanDerWaalsContact O-N 3.09Å |
| 105 | R | 89 | Confident | 90.4 | Very high | 107 Ų | 107 | 74.3 Ų | 74.3 | 40% | 0.404 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -49.5 | -47.3 | -175.3 | 174.5 | 173.7 | 175.8 | 162 | 2.2 | 113.2 | S98 E101 V102 D107 Y108 E109 | S98-R105 WeakPolarHBondContact O-CB 3.16Å; S98-R105 WeakPolarHBondContact O-CG 3.25Å; E101-R105 PolarHBondContact O-N 3.02Å; V102-R105 VanDerWaalsContact O-CB 3.29Å; V102-R105 WeakPolarHBondContact O-CB 3.19Å; V102-R105 PolarHBondContact O-N 3.43Å; R105-D107 VanDerWaalsContact C-N 3.33Å; R105-D107 PolarHBondContact O-N 3.22Å; R105-Y108 PolarHBondContact O-N 2.81Å; R105-E109 HydrophobicContact CG-CG 4.42Å; R105-E109 IonicContact CZ-OE1 3.7Å; R105-E109 IonicContact NE-OE1 2.65Å; R105-E109 PolarHBondContact NE-OE1 3.48Å; R105-E109 IonicContact NH2-OE1 2.69Å; R105-E109 PolarHBondContact NH2-OE1 3.38Å; R105-E109 VanDerWaalsContact NH2-OE1 3.16Å; R105-E109 WeakPolarHBondContact O-CG 3.4Å; R105-E109 PolarHBondContact O-N 3.31Å |
| 106 | N | 93.4 | Very high | 90.6 | Very high | 126 Ų | 126 | 70.5 Ų | 70.5 | 67% | 0.674 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -64 | -38.7 | -177.9 | -67.3 | -27.7 | 0 | 0 | 0 | 112.1 | F104 E109 E110 | F104-N106 VanDerWaalsContact C-N 3.28Å; F104-N106 PolarHBondContact O-N 3.05Å; N106-E109 PolarHBondContact O-N 3.1Å; N106-E110 WeakPolarHBondContact O-CB 3.31Å; N106-E110 PolarHBondContact O-N 2.96Å |
| 107 | D | 91.8 | Very high | 90.9 | Very high | 72 Ų | 72 | 66.6 Ų | 66.6 | 39% | 0.385 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -68 | -41.1 | 178.9 | -66.7 | -47.4 | 0 | 0 | 0 | 111 | L64 F104 R105 E110 L111 | L64-D107 HydrophobicContact CD1-CB 3.8Å; L64-D107 HydrophobicContact CD2-CB 3.96Å; F104-D107 PolarHBondContact O-N 3.03Å; R105-D107 VanDerWaalsContact C-N 3.33Å; R105-D107 PolarHBondContact O-N 3.22Å; D107-E110 PolarHBondContact O-N 3.14Å; D107-L111 VanDerWaalsContact O-CG 3.27Å; D107-L111 WeakPolarHBondContact O-CG 3.46Å; D107-L111 PolarHBondContact O-N 3.32Å |
| 108 | Y | 90.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.3 | -41.6 | 175.4 | -74.9 | -59.4 | 0 | 0 | 0 | 112.9 | S63 L64 L94 L97 E101 F104 R105 E110 L111 A112 | S63-Y108 PolarHBondContact OG-OH 3.35Å; L64-Y108 HydrophobicContact CD1-CD1 4Å; L64-Y108 HydrophobicContact CD1-CD2 4.49Å; L64-Y108 HydrophobicContact CD1-CE1 3.72Å; L64-Y108 HydrophobicContact CD1-CE2 4.24Å; L64-Y108 HydrophobicContact CD1-CG 4.36Å; L94-Y108 HydrophobicContact CD2-CD1 3.85Å; L94-Y108 HydrophobicContact CD2-CE1 4.31Å; L97-Y108 HydrophobicContact CB-CD1 4.32Å; L97-Y108 HydrophobicContact CB-CE1 4.3Å; L97-Y108 HydrophobicContact CB-CE2 4.48Å; L97-Y108 HydrophobicContact CB-CG 4.44Å; L97-Y108 HydrophobicContact CD2-CE1 4.07Å; E101-Y108 HydrophobicContact CB-CE2 3.9Å; E101-Y108 WeakPolarHBondContact OE2-CE2 3.3Å; E101-Y108 VanDerWaalsContact OE2-CZ 3.29Å; E101-Y108 PolarHBondContact OE2-OH 2.92Å; F104-Y108 HydrophobicContact CB-CD2 3.97Å; F104-Y108 HydrophobicContact CB-CE2 3.78Å; F104-Y108 WeakPolarHBondContact O-CD2 3.42Å; F104-Y108 PolarHBondContact O-N 3.43Å; F104-Y108 VanDerWaalsContact O-N 3.09Å; R105-Y108 PolarHBondContact O-N 2.81Å; Y108-E110 VanDerWaalsContact C-N 3.28Å; Y108-E110 PolarHBondContact O-N 3.43Å; Y108-L111 PolarHBondContact O-N 3.31Å; Y108-A112 WeakPolarHBondContact O-CB 3.3Å; Y108-A112 PolarHBondContact O-N 3.35Å |
| 109 | E | 93.3 | Very high | 91.6 | Very high | 78 Ų | 78 | 66.1 Ų | 66.1 | 36% | 0.364 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62 | -38.1 | 175.5 | -74.8 | -175.5 | -172.5 | 0 | 0 | 111.5 | R105 N106 A112 R113 | R105-E109 HydrophobicContact CG-CG 4.42Å; R105-E109 IonicContact CZ-OE1 3.7Å; R105-E109 IonicContact NE-OE1 2.65Å; R105-E109 PolarHBondContact NE-OE1 3.48Å; R105-E109 IonicContact NH2-OE1 2.69Å; R105-E109 PolarHBondContact NH2-OE1 3.38Å; R105-E109 VanDerWaalsContact NH2-OE1 3.16Å; R105-E109 WeakPolarHBondContact O-CG 3.4Å; R105-E109 PolarHBondContact O-N 3.31Å; N106-E109 PolarHBondContact O-N 3.1Å; E109-A112 PolarHBondContact O-N 2.69Å; E109-R113 WeakPolarHBondContact O-CB 3.41Å; E109-R113 PolarHBondContact O-N 2.93Å |
| 110 | E | 94.6 | Very high | 91.9 | Very high | 91 Ų | 91 | 64 Ų | 64 | 43% | 0.425 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.9 | -41.2 | 175.8 | 179.4 | 59.1 | -170.1 | 0 | 0 | 112.5 | N106 D107 Y108 R113 Q114 | N106-E110 WeakPolarHBondContact O-CB 3.31Å; N106-E110 PolarHBondContact O-N 2.96Å; D107-E110 PolarHBondContact O-N 3.14Å; Y108-E110 VanDerWaalsContact C-N 3.28Å; Y108-E110 PolarHBondContact O-N 3.43Å; E110-R113 WeakPolarHBondContact O-CB 3.27Å; E110-R113 PolarHBondContact O-N 3.31Å; E110-R113 IonicContact OE1-CZ 2.66Å; E110-R113 IonicContact OE1-NE 3.51Å; E110-R113 IonicContact OE1-NH2 2.8Å; E110-R113 PolarHBondContact OE1-NH2 3.28Å; E110-R113 IonicContact OE2-CZ 3.15Å; E110-R113 IonicContact OE2-NE 3.65Å; E110-R113 PolarHBondContact OE2-NE 3.36Å; E110-R113 IonicContact OE2-NH2 3.05Å; E110-R113 PolarHBondContact OE2-NH2 2.97Å; E110-Q114 PolarHBondContact O-N 3.06Å |
| 111 | L | 92.4 | Very high | 92.2 | Very high | 9 Ų | 9 | 62.4 Ų | 62.4 | 5% | 0.047 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66 | -41.7 | 174.3 | -67.7 | 166.6 | 0 | 0 | 0 | 112 | L64 R68 A71 L94 D107 Y108 R113 Q114 C115 | L64-L111 HydrophobicContact CD1-CD1 4.07Å; R68-L111 HydrophobicContact CB-CD1 4.34Å; R68-L111 HydrophobicContact CB-CD2 4.3Å; R68-L111 HydrophobicContact CG-CD1 3.38Å; R68-L111 HydrophobicContact CG-CD2 3.75Å; R68-L111 HydrophobicContact CG-CG 4.11Å; A71-L111 HydrophobicContact CB-CB 4.23Å; A71-L111 HydrophobicContact CB-CD2 4.06Å; L94-L111 HydrophobicContact CD1-CB 3.88Å; L94-L111 HydrophobicContact CD2-CB 4.47Å; D107-L111 VanDerWaalsContact O-CG 3.27Å; D107-L111 WeakPolarHBondContact O-CG 3.46Å; D107-L111 PolarHBondContact O-N 3.32Å; Y108-L111 PolarHBondContact O-N 3.31Å; L111-R113 VanDerWaalsContact C-N 3.29Å; L111-R113 PolarHBondContact O-N 3.41Å; L111-Q114 WeakPolarHBondContact O-CB 3.45Å; L111-Q114 PolarHBondContact O-N 2.97Å; L111-Q114 VanDerWaalsContact O-N 3.15Å; L111-C115 PolarHBondContact O-N 2.86Å; L111-C115 PolarHBondContact O-SG 3.09Å |
| 112 | A | 94 | Very high | 92.6 | Very high | 5 Ų | 5 | 62.3 Ų | 62.3 | 4% | 0.041 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.9 | -46.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | L94 Y108 E109 Q114 C115 K116 | L94-A112 HydrophobicContact CB-CB 3.92Å; Y108-A112 WeakPolarHBondContact O-CB 3.3Å; Y108-A112 PolarHBondContact O-N 3.35Å; E109-A112 PolarHBondContact O-N 2.69Å; A112-Q114 VanDerWaalsContact C-N 3.32Å; A112-Q114 PolarHBondContact O-N 3.17Å; A112-C115 PolarHBondContact O-N 3.19Å; A112-K116 VanDerWaalsContact O-CG 3.3Å; A112-K116 WeakPolarHBondContact O-CG 3.45Å; A112-K116 PolarHBondContact O-N 3.4Å; A112-K116 VanDerWaalsContact O-N 3.08Å |
| 113 | R | 95.3 | Very high | 93 | Very high | 113 Ų | 113 | 57.8 Ų | 57.8 | 43% | 0.426 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.5 | -41.9 | 175.5 | -170.1 | -168.8 | 70.1 | 74.4 | -0.7 | 111.9 | E109 E110 L111 C115 K116 M117 | E109-R113 WeakPolarHBondContact O-CB 3.41Å; E109-R113 PolarHBondContact O-N 2.93Å; E110-R113 WeakPolarHBondContact O-CB 3.27Å; E110-R113 PolarHBondContact O-N 3.31Å; E110-R113 IonicContact OE1-CZ 2.66Å; E110-R113 IonicContact OE1-NE 3.51Å; E110-R113 IonicContact OE1-NH2 2.8Å; E110-R113 PolarHBondContact OE1-NH2 3.28Å; E110-R113 IonicContact OE2-CZ 3.15Å; E110-R113 IonicContact OE2-NE 3.65Å; E110-R113 PolarHBondContact OE2-NE 3.36Å; E110-R113 IonicContact OE2-NH2 3.05Å; E110-R113 PolarHBondContact OE2-NH2 2.97Å; L111-R113 VanDerWaalsContact C-N 3.29Å; L111-R113 PolarHBondContact O-N 3.41Å; R113-C115 PolarHBondContact O-N 3.34Å; R113-K116 PolarHBondContact O-N 3.22Å; R113-M117 WeakPolarHBondContact O-CG 3.25Å; R113-M117 PolarHBondContact O-N 3.46Å |
| 114 | Q | 95.1 | Very high | 93.2 | Very high | 66 Ų | 66 | 52 Ų | 52 | 31% | 0.308 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.4 | -45.4 | 175.9 | -175.8 | 178.6 | 0.4 | 0 | 0 | 111.7 | P73 E110 L111 A112 K116 M117 F118 | P73-Q114 VanDerWaalsContact CD-NE2 3.33Å; P73-Q114 HydrophobicContact CG-CG 4.4Å; E110-Q114 PolarHBondContact O-N 3.06Å; L111-Q114 WeakPolarHBondContact O-CB 3.45Å; L111-Q114 PolarHBondContact O-N 2.97Å; L111-Q114 VanDerWaalsContact O-N 3.15Å; A112-Q114 VanDerWaalsContact C-N 3.32Å; A112-Q114 PolarHBondContact O-N 3.17Å; Q114-K116 PolarHBondContact O-N 3.05Å; Q114-M117 PolarHBondContact O-N 3.47Å; Q114-F118 WeakPolarHBondContact O-CB 3.3Å; Q114-F118 PolarHBondContact O-N 3.04Å |
| 115 | C | 94.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.007 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.5 | -40.1 | 175.8 | -63.6 | 0 | 0 | 0 | 0 | 112.4 | L111 A112 R113 F118 A119 | L111-C115 PolarHBondContact O-N 2.86Å; L111-C115 PolarHBondContact O-SG 3.09Å; A112-C115 PolarHBondContact O-N 3.19Å; R113-C115 PolarHBondContact O-N 3.34Å; C115-F118 PolarHBondContact O-N 2.94Å; C115-A119 PolarHBondContact O-N 3.1Å; C115-A119 VanDerWaalsContact O-N 3.09Å |
| 116 | K | 95.1 | Very high | 93.6 | Very high | 29 Ų | 29 | 49.8 Ų | 49.8 | 13% | 0.126 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.5 | -44.5 | 176 | -55 | -160.3 | 179.8 | -178.8 | 0 | 112.3 | A112 R113 Q114 F118 A119 K120 N167 E170 | A112-K116 VanDerWaalsContact O-CG 3.3Å; A112-K116 WeakPolarHBondContact O-CG 3.45Å; A112-K116 PolarHBondContact O-N 3.4Å; A112-K116 VanDerWaalsContact O-N 3.08Å; R113-K116 PolarHBondContact O-N 3.22Å; Q114-K116 PolarHBondContact O-N 3.05Å; K116-F118 VanDerWaalsContact C-N 3.34Å; K116-A119 PolarHBondContact O-N 3.2Å; K116-K120 PolarHBondContact O-N 3.14Å; K116-N167 PolarHBondContact NZ-O 3.16Å; K116-E170 WeakPolarHBondContact CD-OE2 3.38Å |
| 117 | M | 95.8 | Very high | 93.3 | Very high | 48 Ų | 48 | 54.4 Ų | 54.4 | 24% | 0.236 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.9 | -42 | 178 | -72.8 | -59.7 | -55.8 | 0 | 0 | 111 | R113 Q114 A119 K120 D121 E170 | R113-M117 WeakPolarHBondContact O-CG 3.25Å; R113-M117 PolarHBondContact O-N 3.46Å; Q114-M117 PolarHBondContact O-N 3.47Å; M117-A119 PolarHBondContact O-N 3.36Å; M117-K120 HydrophobicContact CE-CD 4.16Å; M117-K120 WeakPolarHBondContact O-CB 3.46Å; M117-K120 PolarHBondContact O-N 2.75Å; M117-K120 HydrophobicContact SD-CD 4.26Å; M117-D121 WeakPolarHBondContact O-CB 3.36Å; M117-D121 PolarHBondContact O-N 3.33Å; M117-E170 HydrophobicContact SD-CG 4.34Å |
| 118 | F | 95.1 | Very high | 93.1 | Very high | 22 Ų | 22 | 55.4 Ų | 55.4 | 10% | 0.096 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -56.4 | -48.8 | 174 | 166 | -110.4 | 0 | 0 | 0 | 112.4 | P73 I76 M77 P83 A87 Q114 C115 K116 K120 D121 L122 | P73-F118 HydrophobicContact CB-CB 4.42Å; P73-F118 HydrophobicContact CB-CD2 3.58Å; P73-F118 HydrophobicContact CB-CE2 4.01Å; P73-F118 HydrophobicContact CB-CG 4.05Å; P73-F118 HydrophobicContact CG-CB 4.23Å; P73-F118 HydrophobicContact CG-CD2 4.29Å; P73-F118 HydrophobicContact CG-CG 4.36Å; I76-F118 HydrophobicContact CB-CE1 4.24Å; I76-F118 HydrophobicContact CD1-CD1 4.46Å; I76-F118 HydrophobicContact CD1-CE1 4.48Å; I76-F118 HydrophobicContact CG2-CE1 3.72Å; I76-F118 HydrophobicContact CG2-CZ 4.2Å; M77-F118 HydrophobicContact CE-CE2 4.46Å; M77-F118 HydrophobicContact CE-CZ 3.78Å; M77-F118 HydrophobicContact CG-CE2 3.65Å; M77-F118 HydrophobicContact CG-CZ 3.61Å; M77-F118 HydrophobicContact SD-CE2 3.74Å; M77-F118 HydrophobicContact SD-CZ 3.66Å; P83-F118 HydrophobicContact CB-CE1 4.33Å; P83-F118 HydrophobicContact CB-CZ 4.28Å; A87-F118 HydrophobicContact CB-CD1 3.84Å; A87-F118 HydrophobicContact CB-CE1 4.19Å; Q114-F118 WeakPolarHBondContact O-CB 3.3Å; Q114-F118 PolarHBondContact O-N 3.04Å; C115-F118 PolarHBondContact O-N 2.94Å; K116-F118 VanDerWaalsContact C-N 3.34Å; F118-K120 VanDerWaalsContact C-N 3.34Å; F118-K120 PolarHBondContact O-N 3.2Å; F118-D121 PolarHBondContact O-N 3.39Å; F118-L122 HydrophobicContact CZ-CD2 4.24Å; F118-L122 WeakPolarHBondContact O-CB 3.37Å; F118-L122 PolarHBondContact O-N 2.98Å |
| 119 | A | 94.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A87 F88 C115 K116 M117 L123 F171 | A87-A119 HydrophobicContact CB-CB 4.06Å; F88-A119 HydrophobicContact CD1-CB 4.15Å; F88-A119 HydrophobicContact CE1-CB 3.64Å; C115-A119 PolarHBondContact O-N 3.1Å; C115-A119 VanDerWaalsContact O-N 3.09Å; K116-A119 PolarHBondContact O-N 3.2Å; M117-A119 PolarHBondContact O-N 3.36Å; A119-L123 PolarHBondContact O-N 3.49Å; A119-L123 VanDerWaalsContact O-N 3.12Å; A119-F171 HydrophobicContact CB-CD2 4.11Å |
| 120 | K | 94.6 | Very high | 92.3 | Very high | 66 Ų | 66 | 65.4 Ų | 65.4 | 29% | 0.287 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.2 | -47.5 | 173.5 | 170.6 | -168.4 | 161 | -173.5 | 0 | 111.3 | K116 M117 F118 L122 L123 A124 E170 Q174 | K116-K120 PolarHBondContact O-N 3.14Å; M117-K120 HydrophobicContact CE-CD 4.16Å; M117-K120 WeakPolarHBondContact O-CB 3.46Å; M117-K120 PolarHBondContact O-N 2.75Å; M117-K120 HydrophobicContact SD-CD 4.26Å; F118-K120 VanDerWaalsContact C-N 3.34Å; F118-K120 PolarHBondContact O-N 3.2Å; K120-L122 VanDerWaalsContact C-N 3.31Å; K120-L122 PolarHBondContact O-N 3.41Å; K120-L123 PolarHBondContact O-N 3.3Å; K120-A124 PolarHBondContact O-N 3.48Å; K120-E170 HydrophobicContact CD-CB 4.09Å; K120-Q174 PolarHBondContact O-NE2 2.68Å; K120-Q174 PolarHBondContact O-OE1 2.95Å |
| 121 | D | 94.4 | Very high | 92 | Very high | 78 Ų | 78 | 64.9 Ų | 64.9 | 42% | 0.417 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.2 | -34.6 | -175.9 | -67.6 | -18.3 | 0 | 0 | 0 | 111 | M117 F118 A124 Q125 | M117-D121 WeakPolarHBondContact O-CB 3.36Å; M117-D121 PolarHBondContact O-N 3.33Å; F118-D121 PolarHBondContact O-N 3.39Å; D121-A124 WeakPolarHBondContact O-CB 3.41Å; D121-A124 PolarHBondContact O-N 2.85Å; D121-A124 VanDerWaalsContact O-N 3.16Å; D121-Q125 PolarHBondContact O-N 3.15Å |
| 122 | L | 92.9 | Very high | 91.8 | Very high | 50 Ų | 50 | 64.8 Ų | 64.8 | 26% | 0.262 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.3 | -44.4 | 172.8 | -171.1 | 61.6 | 0 | 0 | 0 | 111.7 | M77 P83 I84 F118 K120 A124 Q125 | M77-L122 HydrophobicContact CE-CD1 4.41Å; M77-L122 HydrophobicContact CE-CD2 3.95Å; M77-L122 HydrophobicContact SD-CD1 4.01Å; M77-L122 HydrophobicContact SD-CD2 4.41Å; P83-L122 HydrophobicContact CB-CD2 4.27Å; P83-L122 HydrophobicContact CG-CD2 3.87Å; I84-L122 HydrophobicContact CD1-CD2 4.27Å; I84-L122 HydrophobicContact CG1-CD2 3.69Å; F118-L122 HydrophobicContact CZ-CD2 4.24Å; F118-L122 WeakPolarHBondContact O-CB 3.37Å; F118-L122 PolarHBondContact O-N 2.98Å; K120-L122 VanDerWaalsContact C-N 3.31Å; K120-L122 PolarHBondContact O-N 3.41Å; L122-A124 PolarHBondContact O-N 3.42Å; L122-Q125 PolarHBondContact O-N 3.31Å |
| 123 | L | 92.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65 | -24.5 | 174.2 | -168.8 | 74.2 | 0 | 0 | 0 | 112.2 | A119 K120 Q125 A126 L132 I135 F171 Q174 C177 | A119-L123 PolarHBondContact O-N 3.49Å; A119-L123 VanDerWaalsContact O-N 3.12Å; K120-L123 PolarHBondContact O-N 3.3Å; L123-Q125 PolarHBondContact O-N 2.93Å; L123-A126 WeakPolarHBondContact O-CB 3.27Å; L123-A126 PolarHBondContact O-N 2.89Å; L123-L132 HydrophobicContact CD1-CD1 3.57Å; L123-L132 HydrophobicContact CD2-CD1 4.26Å; L123-L132 HydrophobicContact CG-CD1 3.89Å; L123-I135 HydrophobicContact CD1-CB 4.25Å; L123-I135 HydrophobicContact CD1-CD1 4.27Å; L123-I135 HydrophobicContact CD1-CG2 3.58Å; L123-F171 HydrophobicContact CB-CD2 4.23Å; L123-F171 HydrophobicContact CB-CE2 3.73Å; L123-F171 HydrophobicContact CB-CZ 4.34Å; L123-F171 HydrophobicContact CD1-CE2 4.05Å; L123-F171 HydrophobicContact CD1-CZ 3.85Å; L123-F171 HydrophobicContact CD2-CD1 4.2Å; L123-F171 HydrophobicContact CD2-CD2 4Å; L123-F171 HydrophobicContact CD2-CE1 3.79Å; L123-F171 HydrophobicContact CD2-CE2 3.59Å; L123-F171 HydrophobicContact CD2-CG 4.3Å; L123-F171 HydrophobicContact CD2-CZ 3.47Å; L123-F171 VanDerWaalsContact CD2-CZ 3.47Å; L123-F171 HydrophobicContact CG-CE2 3.99Å; L123-F171 HydrophobicContact CG-CZ 4.09Å; L123-Q174 VanDerWaalsContact CG-OE1 3.3Å; L123-C177 HydrophobicContact CD2-CB 4.1Å |
| 124 | A | 92.1 | Very high | 90.9 | Very high | 39 Ų | 39 | 65 Ų | 65 | 32% | 0.322 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.7 | -28.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | K120 D121 L122 A126 | K120-A124 PolarHBondContact O-N 3.48Å; D121-A124 WeakPolarHBondContact O-CB 3.41Å; D121-A124 PolarHBondContact O-N 2.85Å; D121-A124 VanDerWaalsContact O-N 3.16Å; L122-A124 PolarHBondContact O-N 3.42Å; A124-A126 VanDerWaalsContact C-N 3.25Å; A124-A126 PolarHBondContact O-N 3.43Å |
| 125 | Q | 92.5 | Very high | 90.6 | Very high | 139 Ų | 139 | 64 Ų | 64 | 65% | 0.65 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -11.2 | -177.7 | -59.1 | -54.8 | -36 | 0 | 0 | 113.2 | D121 L122 L123 R127 | D121-Q125 PolarHBondContact O-N 3.15Å; L122-Q125 PolarHBondContact O-N 3.31Å; L123-Q125 PolarHBondContact O-N 2.93Å; Q125-R127 PolarHBondContact O-N 2.98Å |
| 126 | A | 90.6 | Very high | 90.2 | Very high | 14 Ų | 14 | 64 Ų | 64 | 12% | 0.116 | 31% | 0.313 | C | S | . | . | trans | -62.9 | 118.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | L123 A124 E131 I135 | L123-A126 WeakPolarHBondContact O-CB 3.27Å; L123-A126 PolarHBondContact O-N 2.89Å; A124-A126 VanDerWaalsContact C-N 3.25Å; A124-A126 PolarHBondContact O-N 3.43Å; A126-E131 HydrophobicContact CB-CB 4.36Å; A126-I135 HydrophobicContact CB-CD1 4.29Å | ||
| 127 | R | 87.7 | Confident | 89.6 | Confident | 222 Ų | 222 | 64.2 Ų | 64.2 | 84% | 0.838 | 32% | 0.316 | S | S | * | . | trans | -89 | -28.8 | -174.1 | -66 | -175.7 | 177.7 | -179.6 | -0.8 | 112.3 | Q125 E131 | Q125-R127 PolarHBondContact O-N 2.98Å; R127-E131 PolarHBondContact N-OE2 3.04Å | ||
| 128 | N | 87.4 | Confident | 88.9 | Confident | 93 Ų | 93 | 66.4 Ų | 66.4 | 50% | 0.497 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -120.1 | 148.2 | -171.6 | -62.4 | -40.4 | 0 | 0 | 0 | 111.7 | R130 E131 L132 | N128-R130 PolarHBondContact O-N 3.48Å; N128-R130 VanDerWaalsContact O-N 3.17Å; N128-E131 HydrophobicContact CB-CG 4.32Å; N128-E131 PolarHBondContact ND2-OE1 3.02Å; N128-E131 PolarHBondContact O-N 2.83Å; N128-E131 VanDerWaalsContact O-N 3.15Å; N128-L132 PolarHBondContact O-N 3.38Å; N128-L132 VanDerWaalsContact O-N 3.14Å |
| 129 | S | 82.6 | Confident | 87.9 | Confident | 89 Ų | 89 | 68.3 Ų | 68.3 | 62% | 0.622 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -60.9 | -26.4 | 175.1 | -48.4 | 0 | 0 | 0 | 0 | 112.9 | E133 | S129-E133 WeakPolarHBondContact O-CB 3.41Å; S129-E133 PolarHBondContact O-N 2.94Å |
| 130 | R | 84.5 | Confident | 86.2 | Confident | 199 Ų | 199 | 71.7 Ų | 71.7 | 75% | 0.751 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -70.6 | -42.7 | 175.6 | -172.2 | 176.5 | -176.6 | 172.2 | 0.3 | 112.4 | N128 L132 E133 V134 | N128-R130 PolarHBondContact O-N 3.48Å; N128-R130 VanDerWaalsContact O-N 3.17Å; R130-L132 VanDerWaalsContact C-N 3.31Å; R130-E133 PolarHBondContact O-N 3.16Å; R130-V134 WeakPolarHBondContact O-CG2 3.46Å; R130-V134 PolarHBondContact O-N 3.47Å |
| 131 | E | 88.5 | Confident | 84.2 | Confident | 80 Ų | 80 | 71.4 Ų | 71.4 | 37% | 0.374 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 175.2 | -71.8 | 160.3 | -151.4 | 0 | 0 | 110.1 | A126 R127 N128 E133 V134 I135 | A126-E131 HydrophobicContact CB-CB 4.36Å; R127-E131 PolarHBondContact N-OE2 3.04Å; N128-E131 HydrophobicContact CB-CG 4.32Å; N128-E131 PolarHBondContact ND2-OE1 3.02Å; N128-E131 PolarHBondContact O-N 2.83Å; N128-E131 VanDerWaalsContact O-N 3.15Å; E131-E133 VanDerWaalsContact C-N 3.34Å; E131-E133 PolarHBondContact O-N 3.45Å; E131-V134 PolarHBondContact O-N 2.82Å; E131-I135 VanDerWaalsContact O-CG1 3.32Å; E131-I135 WeakPolarHBondContact O-CG1 3.4Å; E131-I135 PolarHBondContact O-N 3.23Å |
| 132 | L | 88 | Confident | 82.1 | Confident | 8 Ų | 8 | 76.2 Ų | 76.2 | 4% | 0.042 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 177.4 | -173 | 68.3 | 0 | 0 | 0 | 112.1 | L123 N128 R130 V134 I135 L136 N176 F180 | L123-L132 HydrophobicContact CD1-CD1 3.57Å; L123-L132 HydrophobicContact CD2-CD1 4.26Å; L123-L132 HydrophobicContact CG-CD1 3.89Å; N128-L132 PolarHBondContact O-N 3.38Å; N128-L132 VanDerWaalsContact O-N 3.14Å; R130-L132 VanDerWaalsContact C-N 3.31Å; L132-V134 VanDerWaalsContact C-N 3.35Å; L132-V134 PolarHBondContact O-N 3.48Å; L132-I135 PolarHBondContact O-N 2.92Å; L132-L136 HydrophobicContact CD1-CD1 4.13Å; L132-L136 HydrophobicContact CD1-CG 4.26Å; L132-L136 HydrophobicContact CD2-CD1 4.41Å; L132-L136 HydrophobicContact CG-CD1 3.83Å; L132-L136 HydrophobicContact CG-CG 4.3Å; L132-L136 WeakPolarHBondContact O-CB 3.33Å; L132-L136 VanDerWaalsContact O-CG 3.22Å; L132-L136 WeakPolarHBondContact O-CG 3.45Å; L132-L136 PolarHBondContact O-N 3.29Å; L132-N176 HydrophobicContact CD2-CB 4.23Å; L132-N176 WeakPolarHBondContact CD2-O 3.02Å; L132-F180 HydrophobicContact CD2-CB 3.53Å; L132-F180 HydrophobicContact CD2-CD2 4.24Å; L132-F180 HydrophobicContact CD2-CG 4Å |
| 133 | E | 84.9 | Confident | 80 | Confident | 29 Ų | 29 | 80.9 Ų | 80.9 | 14% | 0.136 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 175.3 | -179.5 | 177.6 | -152.7 | 0 | 0 | 112.3 | S129 R130 E131 L136 N137 R154 F180 | S129-E133 WeakPolarHBondContact O-CB 3.41Å; S129-E133 PolarHBondContact O-N 2.94Å; R130-E133 PolarHBondContact O-N 3.16Å; E131-E133 VanDerWaalsContact C-N 3.34Å; E131-E133 PolarHBondContact O-N 3.45Å; E133-L136 PolarHBondContact O-N 3.49Å; E133-N137 WeakPolarHBondContact CG-ND2 3.46Å; E133-N137 VanDerWaalsContact O-CB 3.28Å; E133-N137 WeakPolarHBondContact O-CB 3.28Å; E133-N137 PolarHBondContact O-N 2.89Å; E133-N137 PolarHBondContact O-ND2 3.43Å; E133-R154 WeakPolarHBondContact OE1-CD 3.39Å; E133-R154 WeakPolarHBondContact OE1-CG 3.41Å; E133-R154 IonicContact OE1-CZ 2.81Å; E133-R154 IonicContact OE1-NE 2.83Å; E133-R154 IonicContact OE1-NH1 3.45Å; E133-R154 PolarHBondContact OE1-NH1 3.37Å; E133-R154 IonicContact OE2-CZ 3.69Å; E133-R154 IonicContact OE2-NH1 3.16Å; E133-R154 PolarHBondContact OE2-NH1 2.93Å; E133-F180 HydrophobicContact CB-CE2 3.91Å; E133-F180 HydrophobicContact CB-CZ 3.98Å; E133-F180 HydrophobicContact CG-CE2 4.4Å; E133-F180 HydrophobicContact CG-CZ 4.09Å |
| 134 | V | 85.9 | Confident | 77.8 | Confident | 92 Ų | 92 | 86.7 Ų | 86.7 | 56% | 0.558 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -62.4 | -48.1 | 176.9 | 170.9 | 0 | 0 | 0 | 0 | 110.3 | R130 E131 L132 L136 N137 H138 | R130-V134 WeakPolarHBondContact O-CG2 3.46Å; R130-V134 PolarHBondContact O-N 3.47Å; E131-V134 PolarHBondContact O-N 2.82Å; L132-V134 VanDerWaalsContact C-N 3.35Å; L132-V134 PolarHBondContact O-N 3.48Å; V134-L136 PolarHBondContact O-N 3.4Å; V134-N137 PolarHBondContact O-N 3.05Å; V134-H138 WeakPolarHBondContact O-CB 3.03Å; V134-H138 PolarHBondContact O-N 3.5Å |
| 135 | I | 87.9 | Confident | 75.7 | Confident | 47 Ų | 47 | 90 Ų | 90 | 24% | 0.241 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 179.5 | -64.8 | 164 | 0 | 0 | 0 | 111.1 | I84 L123 A126 E131 L132 N137 H138 R159 | I84-I135 HydrophobicContact CD1-CG2 3.56Å; L123-I135 HydrophobicContact CD1-CB 4.25Å; L123-I135 HydrophobicContact CD1-CD1 4.27Å; L123-I135 HydrophobicContact CD1-CG2 3.58Å; A126-I135 HydrophobicContact CB-CD1 4.29Å; E131-I135 VanDerWaalsContact O-CG1 3.32Å; E131-I135 WeakPolarHBondContact O-CG1 3.4Å; E131-I135 PolarHBondContact O-N 3.23Å; L132-I135 PolarHBondContact O-N 2.92Å; I135-N137 VanDerWaalsContact C-N 3.32Å; I135-N137 PolarHBondContact O-N 3.02Å; I135-H138 PolarHBondContact O-N 3.47Å; I135-R159 VanDerWaalsContact O-CB 3.25Å; I135-R159 WeakPolarHBondContact O-CB 3.28Å; I135-R159 WeakPolarHBondContact O-CG 3.37Å |
| 136 | L | 86 | Confident | 73.4 | Confident | 0 Ų | 0 | 89 Ų | 89 | 0% | 0 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -72 | -24.4 | -176.4 | -68.7 | 177.9 | 0 | 0 | 0 | 113.6 | L132 E133 V134 L157 S158 R159 L160 F171 F180 | L132-L136 HydrophobicContact CD1-CD1 4.13Å; L132-L136 HydrophobicContact CD1-CG 4.26Å; L132-L136 HydrophobicContact CD2-CD1 4.41Å; L132-L136 HydrophobicContact CG-CD1 3.83Å; L132-L136 HydrophobicContact CG-CG 4.3Å; L132-L136 WeakPolarHBondContact O-CB 3.33Å; L132-L136 VanDerWaalsContact O-CG 3.22Å; L132-L136 WeakPolarHBondContact O-CG 3.45Å; L132-L136 PolarHBondContact O-N 3.29Å; E133-L136 PolarHBondContact O-N 3.49Å; V134-L136 PolarHBondContact O-N 3.4Å; L136-L157 HydrophobicContact CB-CD2 4.25Å; L136-L157 CarbonylContact O-C 3.26Å; L136-L157 VanDerWaalsContact O-C 3.26Å; L136-L157 WeakPolarHBondContact O-CA 3.36Å; L136-S158 PolarHBondContact O-N 3.16Å; L136-R159 VanDerWaalsContact O-CB 3.3Å; L136-R159 WeakPolarHBondContact O-CB 3.17Å; L136-R159 PolarHBondContact O-N 2.78Å; L136-R159 VanDerWaalsContact O-N 3.1Å; L136-L160 HydrophobicContact CD2-CB 4.37Å; L136-L160 HydrophobicContact CD2-CD1 4.32Å; L136-F171 HydrophobicContact CD2-CE1 4.05Å; L136-F171 HydrophobicContact CD2-CZ 4.37Å; L136-F180 HydrophobicContact CD1-CD1 3.61Å; L136-F180 HydrophobicContact CD1-CE1 3.99Å; L136-F180 HydrophobicContact CD1-CG 4.22Å |
| 137 | N | 83.9 | Confident | 71.2 | Confident | 34 Ų | 34 | 98.5 Ų | 98.5 | 18% | 0.182 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -98.1 | -4.5 | 177.7 | -70.3 | -46.9 | 0 | 0 | 0 | 113.7 | E133 V134 I135 T139 L157 | E133-N137 WeakPolarHBondContact CG-ND2 3.46Å; E133-N137 VanDerWaalsContact O-CB 3.28Å; E133-N137 WeakPolarHBondContact O-CB 3.28Å; E133-N137 PolarHBondContact O-N 2.89Å; E133-N137 PolarHBondContact O-ND2 3.43Å; V134-N137 PolarHBondContact O-N 3.05Å; I135-N137 VanDerWaalsContact C-N 3.32Å; I135-N137 PolarHBondContact O-N 3.02Å; N137-T139 PolarHBondContact O-N 2.86Å; N137-L157 VanDerWaalsContact OD1-CA 3.28Å; N137-L157 WeakPolarHBondContact OD1-CA 3.25Å; N137-L157 PolarHBondContact OD1-N 3.4Å |
| 138 | H | 80.8 | Confident | 69.1 | Low | 94 Ų | 94 | 95.2 Ų | 95.2 | 44% | 0.435 | 49% | 0.489 | S | S | . | . | trans | -62.8 | 117.9 | -177.8 | -170 | -73.3 | 0 | 0 | 0 | 112.5 | D82 V134 I135 R159 | D82-H138 IonicContact OD2-ND1 2.64Å; V134-H138 WeakPolarHBondContact O-CB 3.03Å; V134-H138 PolarHBondContact O-N 3.5Å; I135-H138 PolarHBondContact O-N 3.47Å; H138-R159 PolarHBondContact ND1-NH2 3.31Å; H138-R159 PolarHBondContact O-NE 2.9Å; H138-R159 PolarHBondContact O-NH2 3.37Å | ||
| 139 | T | 72.4 | Confident | 66.8 | Low | 61 Ų | 61 | 93.2 Ų | 93.2 | 37% | 0.374 | 49% | 0.49 | S | S | . | . | trans | -94.4 | 127.3 | 170.7 | 48.2 | 0 | 0 | 0 | 0 | 109.5 | N137 S141 S158 | N137-T139 PolarHBondContact O-N 2.86Å; T139-S141 VanDerWaalsContact C-N 3.32Å; T139-S158 VanDerWaalsContact CG2-CB 3.48Å; T139-S158 WeakPolarHBondContact CG2-OG 3.39Å | ||
| 140 | S | 60.3 | Low | 65 | Low | 71 Ų | 71 | 96 Ų | 96 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -81.9 | -13.4 | 171.9 | 47.5 | 0 | 0 | 0 | 0 | 112.8 | ||
| 141 | S | 53.3 | Low | 63.1 | Low | 60 Ų | 60 | 92.6 Ų | 92.6 | 42% | 0.42 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -115.5 | 138.1 | -179.1 | 50.5 | 0 | 0 | 0 | 0 | 111.1 | T139 E143 | T139-S141 VanDerWaalsContact C-N 3.32Å; S141-E143 PolarHBondContact O-N 3.01Å |
| 142 | D | 49.7 | Very low | 61.4 | Low | 180 Ų | 180 | 92.8 Ų | 92.8 | 96% | 0.963 | 49% | 0.494 | S | S | * | . | trans | -64 | 47.4 | 166.4 | -74.3 | -35.2 | 0 | 0 | 0 | 111.8 | ||||
| 143 | E | 48.5 | Very low | 59.5 | Low | 147 Ų | 147 | 97.9 Ų | 97.9 | 69% | 0.687 | 52% | 0.518 | S | S | * | . | trans | -70.4 | 130.2 | 168.4 | -79.2 | -163.4 | 148.2 | 0 | 0 | 108.4 | S141 L145 | S141-E143 PolarHBondContact O-N 3.01Å; E143-L145 PolarHBondContact O-N 3Å | ||
| 144 | P | 45.4 | Very low | 57.9 | Low | 122 Ų | 122 | 103.8 Ų | 103.8 | 79% | 0.792 | 54% | 0.539 | S | S | * | . | trans | -61.2 | 116.8 | -177.8 | 24.9 | -31.3 | 0 | 0 | 0 | 108 | D146 | P144-D146 PolarHBondContact O-N 2.86Š| ||
| 145 | L | 49.3 | Very low | 56.5 | Low | 108 Ų | 108 | 103 Ų | 103 | 57% | 0.565 | 53% | 0.531 | S | S | * | . | trans | -53.2 | 113.9 | 170.2 | -91.4 | 101.9 | 0 | 0 | 0 | 107.8 | E143 K147 | E143-L145 PolarHBondContact O-N 3Å; L145-K147 PolarHBondContact O-N 3.35Å | ||
| 146 | D | 44.6 | Very low | 55.5 | Low | 119 Ų | 119 | 104 Ų | 104 | 64% | 0.636 | 54% | 0.536 | S | S | * | . | trans | -58.3 | 106.9 | 170.7 | -141.3 | 20.8 | 0 | 0 | 0 | 106.1 | P144 R148 | P144-D146 PolarHBondContact O-N 2.86Å; D146-R148 PolarHBondContact O-N 3.12Å; D146-R148 IonicContact OD2-CZ 3.44Å; D146-R148 IonicContact OD2-NE 3.92Å; D146-R148 IonicContact OD2-NH2 3.6Å; D146-R148 PolarHBondContact OD2-NH2 2.91Å | ||
| 147 | K | 43.3 | Very low | 55.1 | Low | 214 Ų | 214 | 105 Ų | 105 | 93% | 0.93 | 54% | 0.541 | S | S | * | . | trans | -70.5 | 61.7 | -174.5 | -75.6 | -178 | 178.4 | 174.8 | 0 | 111.1 | L145 | L145-K147 PolarHBondContact O-N 3.35Š| ||
| 148 | R | 43.1 | Very low | 55.1 | Low | 153 Ų | 153 | 104.5 Ų | 104.5 | 58% | 0.577 | 54% | 0.54 | S | S | * | . | trans | -104.8 | 102.8 | 174.8 | -134.8 | -179.4 | -68.8 | -161.8 | 3.2 | 104.9 | D146 E152 | D146-R148 PolarHBondContact O-N 3.12Å; D146-R148 IonicContact OD2-CZ 3.44Å; D146-R148 IonicContact OD2-NE 3.92Å; D146-R148 IonicContact OD2-NH2 3.6Å; D146-R148 PolarHBondContact OD2-NH2 2.91Å; R148-E152 VanDerWaalsContact C-OE2 3.26Å; R148-E152 WeakPolarHBondContact CB-OE2 3.37Å; R148-E152 VanDerWaalsContact CG-OE2 3.28Å; R148-E152 WeakPolarHBondContact CG-OE2 3.48Å; R148-E152 WeakPolarHBondContact O-CB 3.47Å | ||
| 149 | G | 41.1 | Very low | 55.5 | Low | 50 Ų | 50 | 100.2 Ų | 100.2 | 52% | 0.515 | 52% | 0.52 | S | S | . | . | trans | 45.2 | 134.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | L151 E152 E153 | G149-L151 PolarHBondContact O-N 2.98Å; G149-E152 WeakPolarHBondContact O-CB 3.41Å; G149-E152 PolarHBondContact O-N 3.23Å; G149-E153 PolarHBondContact O-N 3.42Å | ||
| 150 | L | 43.8 | Very low | 56.3 | Low | 147 Ų | 147 | 97.8 Ų | 97.8 | 77% | 0.77 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | -6.7 | 171.9 | -68.7 | 163.1 | 0 | 0 | 0 | 116.9 | ||
| 151 | L | 45.2 | Very low | 57.7 | Low | 129 Ų | 129 | 99.8 Ų | 99.8 | 68% | 0.675 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | -23.6 | 174.3 | -101.3 | 155.8 | 0 | 0 | 0 | 113.2 | G149 | G149-L151 PolarHBondContact O-N 2.98Š|
| 152 | E | 51.4 | Low | 59.4 | Low | 83 Ų | 83 | 98.8 Ų | 98.8 | 39% | 0.388 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -20.6 | 173.5 | -103.1 | 165.4 | 144.7 | 0 | 0 | 111.5 | R148 G149 R154 M155 N156 | R148-E152 VanDerWaalsContact C-OE2 3.26Å; R148-E152 WeakPolarHBondContact CB-OE2 3.37Å; R148-E152 VanDerWaalsContact CG-OE2 3.28Å; R148-E152 WeakPolarHBondContact CG-OE2 3.48Å; R148-E152 WeakPolarHBondContact O-CB 3.47Å; G149-E152 WeakPolarHBondContact O-CB 3.41Å; G149-E152 PolarHBondContact O-N 3.23Å; E152-R154 VanDerWaalsContact C-N 3.26Å; E152-R154 PolarHBondContact O-N 3.24Å; E152-M155 WeakPolarHBondContact O-CA 3.38Å; E152-M155 PolarHBondContact O-N 3.07Å; E152-N156 PolarHBondContact O-N 3.45Å |
| 153 | E | 49.5 | Very low | 61.5 | Low | 116 Ų | 116 | 90.2 Ų | 90.2 | 54% | 0.542 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -28.9 | 174.3 | -77.9 | -177.2 | 163.4 | 0 | 0 | 113.6 | G149 M155 | G149-E153 PolarHBondContact O-N 3.42Å; E153-M155 PolarHBondContact O-N 3.34Å |
| 154 | R | 50.1 | Low | 63.5 | Low | 153 Ų | 153 | 88.1 Ų | 88.1 | 58% | 0.577 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -2.9 | 172.7 | -69.7 | -154.7 | 177 | -122.1 | 2.6 | 114 | E133 E152 | E133-R154 WeakPolarHBondContact OE1-CD 3.39Å; E133-R154 WeakPolarHBondContact OE1-CG 3.41Å; E133-R154 IonicContact OE1-CZ 2.81Å; E133-R154 IonicContact OE1-NE 2.83Å; E133-R154 IonicContact OE1-NH1 3.45Å; E133-R154 PolarHBondContact OE1-NH1 3.37Å; E133-R154 IonicContact OE2-CZ 3.69Å; E133-R154 IonicContact OE2-NH1 3.16Å; E133-R154 PolarHBondContact OE2-NH1 2.93Å; E152-R154 VanDerWaalsContact C-N 3.26Å; E152-R154 PolarHBondContact O-N 3.24Å |
| 155 | M | 56.7 | Low | 65.7 | Low | 76 Ų | 76 | 90 Ų | 90 | 37% | 0.374 | 44% | 0.437 | S | S | . | . | trans | -127.3 | 5.5 | -162.1 | -62.7 | -168.4 | -176.7 | 0 | 0 | 115.1 | E152 E153 L157 V184 | E152-M155 WeakPolarHBondContact O-CA 3.38Å; E152-M155 PolarHBondContact O-N 3.07Å; E153-M155 PolarHBondContact O-N 3.34Å; M155-L157 PolarHBondContact O-N 2.9Å; M155-V184 HydrophobicContact CE-CG1 4.22Å; M155-V184 HydrophobicContact CG-CG1 4.35Å; M155-V184 HydrophobicContact SD-CG1 4.45Å | ||
| 156 | N | 66.6 | Low | 67.7 | Low | 66 Ų | 66 | 88 Ų | 88 | 35% | 0.353 | 42% | 0.422 | S | S | . | . | trans | -65.5 | -30.2 | 176.2 | -157.6 | 1.5 | 0 | 0 | 0 | 111 | E152 S158 K161 | E152-N156 PolarHBondContact O-N 3.45Å; N156-S158 VanDerWaalsContact CG-OG 3.3Å; N156-S158 PolarHBondContact ND2-OG 3.41Å; N156-S158 PolarHBondContact O-N 3.08Å; N156-K161 WeakPolarHBondContact O-CD 3.46Å; N156-K161 WeakPolarHBondContact O-CE 3.41Å; N156-K161 PolarHBondContact O-NZ 3.22Å; N156-K161 PolarHBondContact OD1-NZ 3.47Å | ||
| 157 | L | 78.7 | Confident | 70 | Confident | 22 Ų | 22 | 86.9 Ų | 86.9 | 12% | 0.115 | 42% | 0.416 | C | S | . | . | trans | 45.8 | 39.3 | 174.2 | -68 | 173 | 0 | 0 | 0 | 111 | L136 N137 M155 R159 L160 K161 F180 L181 | L136-L157 HydrophobicContact CB-CD2 4.25Å; L136-L157 CarbonylContact O-C 3.26Å; L136-L157 VanDerWaalsContact O-C 3.26Å; L136-L157 WeakPolarHBondContact O-CA 3.36Å; N137-L157 VanDerWaalsContact OD1-CA 3.28Å; N137-L157 WeakPolarHBondContact OD1-CA 3.25Å; N137-L157 PolarHBondContact OD1-N 3.4Å; M155-L157 PolarHBondContact O-N 2.9Å; L157-R159 VanDerWaalsContact C-N 3.3Å; L157-R159 PolarHBondContact O-N 2.74Å; L157-L160 HydrophobicContact CB-CB 4.1Å; L157-L160 HydrophobicContact CB-CD2 4.35Å; L157-L160 HydrophobicContact CD1-CD2 4.15Å; L157-L160 HydrophobicContact CD2-CD2 4.47Å; L157-L160 WeakPolarHBondContact O-CA 3.49Å; L157-L160 WeakPolarHBondContact O-CB 3.36Å; L157-L160 PolarHBondContact O-N 2.69Å; L157-K161 PolarHBondContact O-N 2.9Å; L157-F180 HydrophobicContact CD2-CE1 3.91Å; L157-L181 HydrophobicContact CD1-CD2 4.07Å | ||
| 158 | S | 84 | Confident | 72.4 | Confident | 23 Ų | 23 | 76.8 Ų | 76.8 | 16% | 0.161 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.2 | -42.1 | -165.2 | -50.3 | 0 | 0 | 0 | 0 | 111.3 | L136 T139 N156 L160 K161 L162 | L136-S158 PolarHBondContact O-N 3.16Å; T139-S158 VanDerWaalsContact CG2-CB 3.48Å; T139-S158 WeakPolarHBondContact CG2-OG 3.39Å; N156-S158 VanDerWaalsContact CG-OG 3.3Å; N156-S158 PolarHBondContact ND2-OG 3.41Å; N156-S158 PolarHBondContact O-N 3.08Å; S158-L160 VanDerWaalsContact C-N 3.34Å; S158-L160 PolarHBondContact O-N 3.41Å; S158-K161 PolarHBondContact O-N 3.29Å; S158-L162 WeakPolarHBondContact O-CB 3.4Å; S158-L162 PolarHBondContact O-N 2.64Å |
| 159 | R | 88.8 | Confident | 74.9 | Confident | 4 Ų | 4 | 76.9 Ų | 76.9 | 2% | 0.015 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.8 | -37.5 | 175.8 | -174.2 | 54.1 | 51.9 | 123.9 | 6.9 | 112.1 | D82 L85 I135 L136 H138 L157 L162 A163 | D82-R159 VanDerWaalsContact CG-NH1 3.3Å; D82-R159 IonicContact OD1-NH1 3.35Å; D82-R159 PolarHBondContact OD1-NH1 3Å; D82-R159 IonicContact OD2-CZ 3.41Å; D82-R159 IonicContact OD2-NH1 2.78Å; D82-R159 PolarHBondContact OD2-NH1 2.87Å; D82-R159 IonicContact OD2-NH2 3.57Å; D82-R159 PolarHBondContact OD2-NH2 3.39Å; L85-R159 VanDerWaalsContact CB-NH1 3.28Å; L85-R159 VanDerWaalsContact N-NH1 3.19Å; I135-R159 VanDerWaalsContact O-CB 3.25Å; I135-R159 WeakPolarHBondContact O-CB 3.28Å; I135-R159 WeakPolarHBondContact O-CG 3.37Å; L136-R159 VanDerWaalsContact O-CB 3.3Å; L136-R159 WeakPolarHBondContact O-CB 3.17Å; L136-R159 PolarHBondContact O-N 2.78Å; L136-R159 VanDerWaalsContact O-N 3.1Å; H138-R159 PolarHBondContact ND1-NH2 3.31Å; H138-R159 PolarHBondContact O-NE 2.9Å; H138-R159 PolarHBondContact O-NH2 3.37Å; L157-R159 VanDerWaalsContact C-N 3.3Å; L157-R159 PolarHBondContact O-N 2.74Å; R159-L162 WeakPolarHBondContact O-CB 3.22Å; R159-L162 PolarHBondContact O-N 3.15Å; R159-A163 WeakPolarHBondContact O-CB 3.34Å; R159-A163 PolarHBondContact O-N 3.36Å |
| 160 | L | 89.2 | Confident | 77.4 | Confident | 10 Ų | 10 | 77.3 Ų | 77.3 | 5% | 0.052 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.9 | -42.7 | 176.9 | -174.7 | 72.3 | 0 | 0 | 0 | 111.7 | L136 L157 S158 L162 A163 I164 V172 L181 | L136-L160 HydrophobicContact CD2-CB 4.37Å; L136-L160 HydrophobicContact CD2-CD1 4.32Å; L157-L160 HydrophobicContact CB-CB 4.1Å; L157-L160 HydrophobicContact CB-CD2 4.35Å; L157-L160 HydrophobicContact CD1-CD2 4.15Å; L157-L160 HydrophobicContact CD2-CD2 4.47Å; L157-L160 WeakPolarHBondContact O-CA 3.49Å; L157-L160 WeakPolarHBondContact O-CB 3.36Å; L157-L160 PolarHBondContact O-N 2.69Å; S158-L160 VanDerWaalsContact C-N 3.34Å; S158-L160 PolarHBondContact O-N 3.41Å; L160-L162 VanDerWaalsContact C-N 3.25Å; L160-L162 PolarHBondContact O-N 3.36Å; L160-A163 WeakPolarHBondContact O-CB 3.32Å; L160-A163 PolarHBondContact O-N 3.42Å; L160-I164 WeakPolarHBondContact O-CG1 3.32Å; L160-I164 PolarHBondContact O-N 2.65Å; L160-V172 HydrophobicContact CD1-CG1 4.28Å; L160-V172 HydrophobicContact CD1-CG2 3.94Å; L160-L181 HydrophobicContact CD2-CD1 3.99Å; L160-L181 HydrophobicContact CD2-CD2 3.6Å; L160-L181 HydrophobicContact CD2-CG 4.2Å |
| 161 | K | 89.2 | Confident | 79.8 | Confident | 114 Ų | 114 | 70.3 Ų | 70.3 | 50% | 0.496 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58.7 | -41.8 | 173.5 | -70.9 | 173.9 | -179.1 | 164.5 | 0 | 110.7 | N156 L157 S158 I164 K165 | N156-K161 WeakPolarHBondContact O-CD 3.46Å; N156-K161 WeakPolarHBondContact O-CE 3.41Å; N156-K161 PolarHBondContact O-NZ 3.22Å; N156-K161 PolarHBondContact OD1-NZ 3.47Å; L157-K161 PolarHBondContact O-N 2.9Å; S158-K161 PolarHBondContact O-N 3.29Å; K161-I164 PolarHBondContact O-N 3.44Å; K161-K165 PolarHBondContact O-N 2.98Å |
| 162 | L | 90.5 | Very high | 82 | Confident | 39 Ų | 39 | 65.6 Ų | 65.6 | 20% | 0.204 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 175 | -166.3 | 61.7 | 0 | 0 | 0 | 112 | L85 S158 R159 L160 I164 K165 Y166 | L85-L162 HydrophobicContact CD1-CD2 3.47Å; L85-L162 VanDerWaalsContact CD1-CD2 3.47Å; S158-L162 WeakPolarHBondContact O-CB 3.4Å; S158-L162 PolarHBondContact O-N 2.64Å; R159-L162 WeakPolarHBondContact O-CB 3.22Å; R159-L162 PolarHBondContact O-N 3.15Å; L160-L162 VanDerWaalsContact C-N 3.25Å; L160-L162 PolarHBondContact O-N 3.36Å; L162-I164 VanDerWaalsContact C-N 3.27Å; L162-I164 PolarHBondContact O-N 2.94Å; L162-K165 HydrophobicContact CD1-CD 4.4Å; L162-K165 WeakPolarHBondContact O-CB 3.34Å; L162-K165 PolarHBondContact O-N 2.91Å; L162-K165 VanDerWaalsContact O-N 3.1Å; L162-Y166 HydrophobicContact CD1-CD2 3.85Å; L162-Y166 HydrophobicContact CD1-CE2 3.5Å; L162-Y166 VanDerWaalsContact CD1-CE2 3.5Å; L162-Y166 HydrophobicContact CD2-CE2 4.41Å; L162-Y166 HydrophobicContact CG-CD2 3.82Å; L162-Y166 HydrophobicContact CG-CE2 3.79Å; L162-Y166 WeakPolarHBondContact O-CD2 3.49Å; L162-Y166 PolarHBondContact O-N 3.2Å |
| 163 | A | 92.1 | Very high | 84 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.6 | -39 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | F88 R159 L160 Y166 N167 Q168 F171 V172 | F88-A163 HydrophobicContact CE2-CB 3.67Å; F88-A163 HydrophobicContact CZ-CB 3.79Å; R159-A163 WeakPolarHBondContact O-CB 3.34Å; R159-A163 PolarHBondContact O-N 3.36Å; L160-A163 WeakPolarHBondContact O-CB 3.32Å; L160-A163 PolarHBondContact O-N 3.42Å; A163-Y166 PolarHBondContact O-N 3.19Å; A163-N167 PolarHBondContact O-N 3.39Å; A163-Q168 HydrophobicContact CB-CB 4.14Å; A163-Q168 WeakPolarHBondContact O-CB 3.48Å; A163-Q168 PolarHBondContact O-N 3.37Å; A163-F171 HydrophobicContact CB-CD1 3.8Å; A163-F171 HydrophobicContact CB-CE1 4.14Å; A163-V172 HydrophobicContact CB-CG2 4.1Å |
| 164 | I | 90.8 | Very high | 86.1 | Confident | 102 Ų | 102 | 60.3 Ų | 60.3 | 52% | 0.523 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.9 | -45.1 | 174.2 | -64.7 | 166.6 | 0 | 0 | 0 | 110.6 | L160 K161 L162 Y166 N167 V172 | L160-I164 WeakPolarHBondContact O-CG1 3.32Å; L160-I164 PolarHBondContact O-N 2.65Å; K161-I164 PolarHBondContact O-N 3.44Å; L162-I164 VanDerWaalsContact C-N 3.27Å; L162-I164 PolarHBondContact O-N 2.94Å; I164-Y166 VanDerWaalsContact C-N 3.29Å; I164-Y166 PolarHBondContact O-N 3.49Å; I164-N167 PolarHBondContact O-N 3.23Å; I164-V172 HydrophobicContact CG1-CG2 4.18Å |
| 165 | K | 91.8 | Very high | 88 | Confident | 161 Ų | 161 | 57.1 Ų | 57.1 | 70% | 0.7 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -57.2 | -41.8 | 176.8 | -173.8 | -178.1 | 178.4 | -175 | 0 | 111.9 | K161 L162 N167 | K161-K165 PolarHBondContact O-N 2.98Å; L162-K165 HydrophobicContact CD1-CD 4.4Å; L162-K165 WeakPolarHBondContact O-CB 3.34Å; L162-K165 PolarHBondContact O-N 2.91Å; L162-K165 VanDerWaalsContact O-N 3.1Å; K165-N167 VanDerWaalsContact C-N 3.26Å; K165-N167 PolarHBondContact O-N 2.88Å |
| 166 | Y | 92.3 | Very high | 89.6 | Confident | 67 Ų | 67 | 55.8 Ų | 55.8 | 26% | 0.263 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 9.1 | 176.3 | -75.1 | -73 | 0 | 0 | 0 | 114.4 | F88 A92 L162 A163 I164 Q168 | F88-Y166 HydrophobicContact CB-CD2 4.07Å; F88-Y166 HydrophobicContact CB-CG 4.15Å; A92-Y166 HydrophobicContact CB-CD1 3.65Å; A92-Y166 HydrophobicContact CB-CE1 3.94Å; L162-Y166 HydrophobicContact CD1-CD2 3.85Å; L162-Y166 HydrophobicContact CD1-CE2 3.5Å; L162-Y166 VanDerWaalsContact CD1-CE2 3.5Å; L162-Y166 HydrophobicContact CD2-CE2 4.41Å; L162-Y166 HydrophobicContact CG-CD2 3.82Å; L162-Y166 HydrophobicContact CG-CE2 3.79Å; L162-Y166 WeakPolarHBondContact O-CD2 3.49Å; L162-Y166 PolarHBondContact O-N 3.2Å; A163-Y166 PolarHBondContact O-N 3.19Å; I164-Y166 VanDerWaalsContact C-N 3.29Å; I164-Y166 PolarHBondContact O-N 3.49Å; Y166-Q168 VanDerWaalsContact C-N 3.32Å; Y166-Q168 PolarHBondContact O-N 3.29Å; Y166-Q168 PolarHBondContact O-NE2 3.47Å; Y166-Q168 VanDerWaalsContact O-NE2 3.14Å |
| 167 | N | 92.7 | Very high | 90.7 | Very high | 96 Ų | 96 | 52.7 Ų | 52.7 | 51% | 0.513 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 43.4 | 178.8 | -67.7 | -65.7 | 0 | 0 | 0 | 114.1 | K116 A163 I164 K165 K169 | K116-N167 PolarHBondContact NZ-O 3.16Å; A163-N167 PolarHBondContact O-N 3.39Å; I164-N167 PolarHBondContact O-N 3.23Å; K165-N167 VanDerWaalsContact C-N 3.26Å; K165-N167 PolarHBondContact O-N 2.88Å; N167-K169 PolarHBondContact O-N 2.82Å; N167-K169 VanDerWaalsContact O-N 3.16Å |
| 168 | Q | 93.9 | Very high | 91.3 | Very high | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.009 | 28% | 0.279 | C | S | . | . | trans | -87.2 | 70.5 | 179.6 | -57.5 | -61.8 | -30.4 | 0 | 0 | 111.2 | F88 S91 A163 Y166 E170 F171 V172 | F88-Q168 HydrophobicContact CB-CG 4.48Å; F88-Q168 HydrophobicContact CD1-CB 4.41Å; F88-Q168 HydrophobicContact CD1-CG 3.52Å; F88-Q168 HydrophobicContact CD2-CG 4.45Å; F88-Q168 HydrophobicContact CE1-CB 4.11Å; F88-Q168 HydrophobicContact CE1-CG 3.7Å; F88-Q168 HydrophobicContact CG-CG 3.91Å; F88-Q168 HydrophobicContact CZ-CB 4.49Å; F88-Q168 HydrophobicContact CZ-CG 4.26Å; S91-Q168 PolarHBondContact OG-NE2 3.28Å; A163-Q168 HydrophobicContact CB-CB 4.14Å; A163-Q168 WeakPolarHBondContact O-CB 3.48Å; A163-Q168 PolarHBondContact O-N 3.37Å; Y166-Q168 VanDerWaalsContact C-N 3.32Å; Y166-Q168 PolarHBondContact O-N 3.29Å; Y166-Q168 PolarHBondContact O-NE2 3.47Å; Y166-Q168 VanDerWaalsContact O-NE2 3.14Å; Q168-E170 VanDerWaalsContact C-N 3.34Å; Q168-E170 PolarHBondContact O-N 2.98Å; Q168-F171 HydrophobicContact CB-CB 4.01Å; Q168-F171 PolarHBondContact O-N 3.48Å; Q168-V172 WeakPolarHBondContact O-CG2 3.49Å; Q168-V172 PolarHBondContact O-N 3.28Å; Q168-V172 VanDerWaalsContact O-N 3.16Å | ||
| 169 | K | 94.1 | Very high | 91.5 | Very high | 155 Ų | 155 | 59.6 Ų | 59.6 | 67% | 0.674 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -63.3 | -39.8 | -172.8 | -63 | -177.7 | -178.7 | -180 | 0 | 112.3 | N167 V172 S173 | N167-K169 PolarHBondContact O-N 2.82Å; N167-K169 VanDerWaalsContact O-N 3.16Å; K169-V172 PolarHBondContact O-N 3.45Å; K169-S173 WeakPolarHBondContact O-CB 3.18Å; K169-S173 PolarHBondContact O-N 3.38Å; K169-S173 PolarHBondContact O-OG 3.03Å |
| 170 | E | 93.5 | Very high | 91.4 | Very high | 59 Ų | 59 | 60.6 Ų | 60.6 | 28% | 0.276 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.6 | -38.1 | -178.5 | -63.5 | 82.4 | 177.1 | 0 | 0 | 111.9 | K116 M117 K120 Q168 S173 | K116-E170 WeakPolarHBondContact CD-OE2 3.38Å; M117-E170 HydrophobicContact SD-CG 4.34Å; K120-E170 HydrophobicContact CD-CB 4.09Å; Q168-E170 VanDerWaalsContact C-N 3.34Å; Q168-E170 PolarHBondContact O-N 2.98Å; E170-S173 WeakPolarHBondContact CA-OG 3.3Å; E170-S173 PolarHBondContact O-OG 2.91Å |
| 171 | F | 94.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.9 | -49.4 | 174.8 | -176.9 | -88.3 | 0 | 0 | 0 | 111.3 | I84 F88 A119 L123 L136 A163 Q168 S173 Q174 | I84-F171 HydrophobicContact CG2-CE2 3.93Å; I84-F171 HydrophobicContact CG2-CZ 4.23Å; F88-F171 HydrophobicContact CE1-CB 4.4Å; F88-F171 AromaticContact CE1-CD2 3.96Å; F88-F171 HydrophobicContact CE1-CD2 3.96Å; F88-F171 HydrophobicContact CE1-CE2 4.36Å; F88-F171 HydrophobicContact CE1-CG 4.1Å; F88-F171 HydrophobicContact CZ-CB 4.48Å; F88-F171 AromaticContact CZ-CD1 3.93Å; F88-F171 HydrophobicContact CZ-CD1 3.93Å; F88-F171 AromaticContact CZ-CD2 3.79Å; F88-F171 HydrophobicContact CZ-CD2 3.79Å; F88-F171 HydrophobicContact CZ-CE1 4.02Å; F88-F171 AromaticContact CZ-CE2 3.86Å; F88-F171 HydrophobicContact CZ-CE2 3.86Å; F88-F171 AromaticContact CZ-CG 3.81Å; F88-F171 HydrophobicContact CZ-CG 3.81Å; F88-F171 AromaticContact CZ-CZ 3.98Å; F88-F171 HydrophobicContact CZ-CZ 3.98Å; A119-F171 HydrophobicContact CB-CD2 4.11Å; L123-F171 HydrophobicContact CB-CD2 4.23Å; L123-F171 HydrophobicContact CB-CE2 3.73Å; L123-F171 HydrophobicContact CB-CZ 4.34Å; L123-F171 HydrophobicContact CD1-CE2 4.05Å; L123-F171 HydrophobicContact CD1-CZ 3.85Å; L123-F171 HydrophobicContact CD2-CD1 4.2Å; L123-F171 HydrophobicContact CD2-CD2 4Å; L123-F171 HydrophobicContact CD2-CE1 3.79Å; L123-F171 HydrophobicContact CD2-CE2 3.59Å; L123-F171 HydrophobicContact CD2-CG 4.3Å; L123-F171 HydrophobicContact CD2-CZ 3.47Å; L123-F171 VanDerWaalsContact CD2-CZ 3.47Å; L123-F171 HydrophobicContact CG-CE2 3.99Å; L123-F171 HydrophobicContact CG-CZ 4.09Å; L136-F171 HydrophobicContact CD2-CE1 4.05Å; L136-F171 HydrophobicContact CD2-CZ 4.37Å; A163-F171 HydrophobicContact CB-CD1 3.8Å; A163-F171 HydrophobicContact CB-CE1 4.14Å; Q168-F171 HydrophobicContact CB-CB 4.01Å; Q168-F171 PolarHBondContact O-N 3.48Å; F171-S173 PolarHBondContact O-N 3.33Å; F171-Q174 VanDerWaalsContact O-CB 3.3Å; F171-Q174 WeakPolarHBondContact O-CB 3.47Å; F171-Q174 PolarHBondContact O-N 2.76Å |
| 172 | V | 93 | Very high | 91.3 | Very high | 29 Ų | 29 | 59.1 Ų | 59.1 | 18% | 0.176 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.9 | -37.9 | -177.9 | 177.4 | 0 | 0 | 0 | 0 | 111.6 | L160 A163 I164 Q168 K169 Q174 Q178 | L160-V172 HydrophobicContact CD1-CG1 4.28Å; L160-V172 HydrophobicContact CD1-CG2 3.94Å; A163-V172 HydrophobicContact CB-CG2 4.1Å; I164-V172 HydrophobicContact CG1-CG2 4.18Å; Q168-V172 WeakPolarHBondContact O-CG2 3.49Å; Q168-V172 PolarHBondContact O-N 3.28Å; Q168-V172 VanDerWaalsContact O-N 3.16Å; K169-V172 PolarHBondContact O-N 3.45Å; V172-Q174 PolarHBondContact O-N 3.16Å; V172-Q178 PolarHBondContact O-NE2 3.38Å |
| 173 | S | 92.9 | Very high | 91.1 | Very high | 77 Ų | 77 | 61.7 Ų | 61.7 | 54% | 0.538 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -1.5 | -178.4 | 59 | 0 | 0 | 0 | 0 | 114.5 | K169 E170 F171 | K169-S173 WeakPolarHBondContact O-CB 3.18Å; K169-S173 PolarHBondContact O-N 3.38Å; K169-S173 PolarHBondContact O-OG 3.03Å; E170-S173 WeakPolarHBondContact CA-OG 3.3Å; E170-S173 PolarHBondContact O-OG 2.91Å; F171-S173 PolarHBondContact O-N 3.33Å |
| 174 | Q | 92.4 | Very high | 90.7 | Very high | 12 Ų | 12 | 63.1 Ų | 63.1 | 6% | 0.056 | 33% | 0.325 | C | S | . | . | trans | -61.6 | 140.2 | 179 | -175.2 | 167.1 | 26.3 | 0 | 0 | 112.8 | K120 L123 F171 V172 N176 C177 Q178 | K120-Q174 PolarHBondContact O-NE2 2.68Å; K120-Q174 PolarHBondContact O-OE1 2.95Å; L123-Q174 VanDerWaalsContact CG-OE1 3.3Å; F171-Q174 VanDerWaalsContact O-CB 3.3Å; F171-Q174 WeakPolarHBondContact O-CB 3.47Å; F171-Q174 PolarHBondContact O-N 2.76Å; V172-Q174 PolarHBondContact O-N 3.16Å; Q174-N176 PolarHBondContact O-N 3.14Å; Q174-C177 HydrophobicContact CB-CB 4.25Å; Q174-C177 WeakPolarHBondContact O-CB 3.33Å; Q174-C177 PolarHBondContact O-N 3.21Å; Q174-C177 VanDerWaalsContact O-N 3.14Å; Q174-Q178 WeakPolarHBondContact O-CB 3.23Å; Q174-Q178 WeakPolarHBondContact O-CG 3.47Å; Q174-Q178 PolarHBondContact O-N 3.48Å | ||
| 175 | S | 91.3 | Very high | 90.5 | Very high | 85 Ų | 85 | 62.6 Ų | 62.6 | 59% | 0.594 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -52.2 | -47.4 | -177.5 | 50.6 | 0 | 0 | 0 | 0 | 113.6 | Q178 Q179 | S175-Q178 PolarHBondContact O-N 3.17Å; S175-Q179 VanDerWaalsContact O-CB 3.32Å; S175-Q179 WeakPolarHBondContact O-CB 3.2Å; S175-Q179 PolarHBondContact O-N 3.39Å |
| 176 | N | 89.2 | Confident | 90.2 | Very high | 49 Ų | 49 | 56.4 Ų | 56.4 | 26% | 0.262 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63 | -46.2 | 179.7 | -66 | -10.5 | 0 | 0 | 0 | 111.3 | L132 Q174 Q179 F180 | L132-N176 HydrophobicContact CD2-CB 4.23Å; L132-N176 WeakPolarHBondContact CD2-O 3.02Å; Q174-N176 PolarHBondContact O-N 3.14Å; N176-Q179 PolarHBondContact O-N 3Å; N176-F180 WeakPolarHBondContact O-CB 3.23Å; N176-F180 PolarHBondContact O-N 3.03Å |
| 177 | C | 89.8 | Confident | 89.9 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61 | -46.9 | 176.1 | -176.6 | 0 | 0 | 0 | 0 | 111.4 | L123 Q174 Q179 F180 L181 | L123-C177 HydrophobicContact CD2-CB 4.1Å; Q174-C177 HydrophobicContact CB-CB 4.25Å; Q174-C177 WeakPolarHBondContact O-CB 3.33Å; Q174-C177 PolarHBondContact O-N 3.21Å; Q174-C177 VanDerWaalsContact O-N 3.14Å; C177-Q179 PolarHBondContact O-N 3.38Å; C177-F180 PolarHBondContact O-N 3.11Å; C177-L181 WeakPolarHBondContact O-CB 3.43Å; C177-L181 WeakPolarHBondContact O-CG 3.43Å; C177-L181 PolarHBondContact O-N 3.39Å |
| 178 | Q | 91.3 | Very high | 89.3 | Confident | 73 Ų | 73 | 56 Ų | 56 | 34% | 0.341 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.9 | -38.6 | 178.3 | -70.7 | -62.6 | -40.1 | 0 | 0 | 112.6 | V172 Q174 S175 L181 N182 | V172-Q178 PolarHBondContact O-NE2 3.38Å; Q174-Q178 WeakPolarHBondContact O-CB 3.23Å; Q174-Q178 WeakPolarHBondContact O-CG 3.47Å; Q174-Q178 PolarHBondContact O-N 3.48Å; S175-Q178 PolarHBondContact O-N 3.17Å; Q178-L181 PolarHBondContact O-N 3.5Å; Q178-N182 WeakPolarHBondContact O-CB 3.4Å; Q178-N182 VanDerWaalsContact O-CG 3.32Å; Q178-N182 PolarHBondContact O-N 3.14Å; Q178-N182 PolarHBondContact O-ND2 3.25Å |
| 179 | Q | 89 | Confident | 88.6 | Confident | 118 Ų | 118 | 58 Ų | 58 | 55% | 0.551 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -64.4 | -41.7 | 175.3 | -179.2 | 176 | -4.6 | 0 | 0 | 111.6 | S175 N176 C177 N182 T183 | S175-Q179 VanDerWaalsContact O-CB 3.32Å; S175-Q179 WeakPolarHBondContact O-CB 3.2Å; S175-Q179 PolarHBondContact O-N 3.39Å; N176-Q179 PolarHBondContact O-N 3Å; C177-Q179 PolarHBondContact O-N 3.38Å; Q179-N182 PolarHBondContact O-N 3.15Å; Q179-T183 PolarHBondContact O-N 3.49Å; Q179-T183 VanDerWaalsContact O-N 3.13Å; Q179-T183 PolarHBondContact O-OG1 2.77Å |
| 180 | F | 87.4 | Confident | 87.9 | Confident | 24 Ų | 24 | 54.5 Ų | 54.5 | 11% | 0.105 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.3 | -49.5 | 175.1 | -178.1 | -95 | 0 | 0 | 0 | 111.5 | L132 E133 L136 L157 N176 C177 N182 T183 V184 | L132-F180 HydrophobicContact CD2-CB 3.53Å; L132-F180 HydrophobicContact CD2-CD2 4.24Å; L132-F180 HydrophobicContact CD2-CG 4Å; E133-F180 HydrophobicContact CB-CE2 3.91Å; E133-F180 HydrophobicContact CB-CZ 3.98Å; E133-F180 HydrophobicContact CG-CE2 4.4Å; E133-F180 HydrophobicContact CG-CZ 4.09Å; L136-F180 HydrophobicContact CD1-CD1 3.61Å; L136-F180 HydrophobicContact CD1-CE1 3.99Å; L136-F180 HydrophobicContact CD1-CG 4.22Å; L157-F180 HydrophobicContact CD2-CE1 3.91Å; N176-F180 WeakPolarHBondContact O-CB 3.23Å; N176-F180 PolarHBondContact O-N 3.03Å; C177-F180 PolarHBondContact O-N 3.11Å; F180-N182 VanDerWaalsContact C-N 3.29Å; F180-N182 PolarHBondContact O-N 3.13Å; F180-T183 WeakPolarHBondContact O-CA 3.43Å; F180-T183 VanDerWaalsContact O-CB 3.28Å; F180-T183 WeakPolarHBondContact O-CB 3.4Å; F180-T183 PolarHBondContact O-N 3.47Å; F180-V184 HydrophobicContact CD1-CG2 4.18Å; F180-V184 HydrophobicContact CE1-CG2 3.81Å; F180-V184 HydrophobicContact CZ-CG2 4.15Å; F180-V184 PolarHBondContact O-N 3.37Å |
| 181 | L | 87.7 | Confident | 87.3 | Confident | 40 Ų | 40 | 53.8 Ų | 53.8 | 21% | 0.209 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.3 | -40.6 | 175.9 | -77.8 | 174.3 | 0 | 0 | 0 | 112.7 | L157 L160 C177 Q178 T183 V184 W185 | L157-L181 HydrophobicContact CD1-CD2 4.07Å; L160-L181 HydrophobicContact CD2-CD1 3.99Å; L160-L181 HydrophobicContact CD2-CD2 3.6Å; L160-L181 HydrophobicContact CD2-CG 4.2Å; C177-L181 WeakPolarHBondContact O-CB 3.43Å; C177-L181 WeakPolarHBondContact O-CG 3.43Å; C177-L181 PolarHBondContact O-N 3.39Å; Q178-L181 PolarHBondContact O-N 3.5Å; L181-T183 VanDerWaalsContact C-N 3.27Å; L181-T183 PolarHBondContact O-N 2.93Å; L181-V184 PolarHBondContact O-N 3.27Å; L181-W185 VanDerWaalsContact O-CB 3.23Å; L181-W185 WeakPolarHBondContact O-CB 3.48Å; L181-W185 PolarHBondContact O-N 3.01Å |
| 182 | N | 87.5 | Confident | 86.9 | Confident | 54 Ų | 54 | 55 Ų | 55 | 29% | 0.289 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.6 | -37.6 | 174.2 | -82.1 | -57.3 | 0 | 0 | 0 | 112.2 | Q178 Q179 F180 W185 F186 | Q178-N182 WeakPolarHBondContact O-CB 3.4Å; Q178-N182 VanDerWaalsContact O-CG 3.32Å; Q178-N182 PolarHBondContact O-N 3.14Å; Q178-N182 PolarHBondContact O-ND2 3.25Å; Q179-N182 PolarHBondContact O-N 3.15Å; F180-N182 VanDerWaalsContact C-N 3.29Å; F180-N182 PolarHBondContact O-N 3.13Å; N182-W185 PolarHBondContact O-N 2.93Å; N182-F186 VanDerWaalsContact O-CD2 3.23Å; N182-F186 WeakPolarHBondContact O-CD2 3.45Å; N182-F186 PolarHBondContact O-N 3.39Å |
| 183 | T | 85.4 | Confident | 86.4 | Confident | 92 Ų | 92 | 60.7 Ų | 60.7 | 56% | 0.564 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -65.6 | -43.3 | 177.3 | -54.8 | 0 | 0 | 0 | 0 | 110.8 | Q179 F180 L181 G187 | Q179-T183 PolarHBondContact O-N 3.49Å; Q179-T183 VanDerWaalsContact O-N 3.13Å; Q179-T183 PolarHBondContact O-OG1 2.77Å; F180-T183 WeakPolarHBondContact O-CA 3.43Å; F180-T183 VanDerWaalsContact O-CB 3.28Å; F180-T183 WeakPolarHBondContact O-CB 3.4Å; F180-T183 PolarHBondContact O-N 3.47Å; L181-T183 VanDerWaalsContact C-N 3.27Å; L181-T183 PolarHBondContact O-N 2.93Å; T183-G187 WeakPolarHBondContact O-CA 3.32Å; T183-G187 PolarHBondContact O-N 3.31Å |
| 184 | V | 83.9 | Confident | 86.1 | Confident | 30 Ų | 30 | 68.1 Ų | 68.1 | 18% | 0.182 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.8 | -41 | 174.4 | 178.1 | 0 | 0 | 0 | 0 | 111.2 | M155 F180 L181 | M155-V184 HydrophobicContact CE-CG1 4.22Å; M155-V184 HydrophobicContact CG-CG1 4.35Å; M155-V184 HydrophobicContact SD-CG1 4.45Å; F180-V184 HydrophobicContact CD1-CG2 4.18Å; F180-V184 HydrophobicContact CE1-CG2 3.81Å; F180-V184 HydrophobicContact CZ-CG2 4.15Å; F180-V184 PolarHBondContact O-N 3.37Å; L181-V184 PolarHBondContact O-N 3.27Å |
| 185 | W | 86.9 | Confident | 86 | Confident | 92 Ų | 92 | 72.2 Ų | 72.2 | 35% | 0.348 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.1 | -48.3 | -177.2 | -179.1 | -99.4 | 0 | 0 | 0 | 112.8 | L181 N182 P233 F234 F237 | L181-W185 VanDerWaalsContact O-CB 3.23Å; L181-W185 WeakPolarHBondContact O-CB 3.48Å; L181-W185 PolarHBondContact O-N 3.01Å; N182-W185 PolarHBondContact O-N 2.93Å; W185-P233 HydrophobicContact CD2-CG 4.41Å; W185-P233 HydrophobicContact CE3-CB 3.92Å; W185-P233 HydrophobicContact CE3-CG 4.03Å; W185-P233 HydrophobicContact CZ3-CB 4.01Å; W185-P233 WeakPolarHBondContact O-CG 3.4Å; W185-F234 HydrophobicContact CZ2-CB 4.47Å; W185-F234 HydrophobicContact CZ2-CD2 4.34Å; W185-F234 AromaticContact NE1-CD2 3.4Å; W185-F234 AromaticContact NE1-CG 3.9Å; W185-F234 WeakPolarHBondContact O-CB 3.49Å; W185-F234 PolarHBondContact O-N 2.98Å; W185-F237 HydrophobicContact CH2-CB 3.89Å; W185-F237 HydrophobicContact CH2-CD2 4.38Å; W185-F237 HydrophobicContact CH2-CG 4.1Å; W185-F237 HydrophobicContact CZ2-CB 4.02Å; W185-F237 HydrophobicContact CZ2-CD1 4.43Å; W185-F237 HydrophobicContact CZ2-CG 4.18Å |
| 186 | F | 86.3 | Confident | 86.1 | Confident | 30 Ų | 30 | 71.8 Ų | 71.8 | 13% | 0.132 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -84.4 | -27.8 | -179.1 | -68.1 | -67.6 | 0 | 0 | 0 | 112.7 | N182 Q188 M189 Y192 F234 | N182-F186 VanDerWaalsContact O-CD2 3.23Å; N182-F186 WeakPolarHBondContact O-CD2 3.45Å; N182-F186 PolarHBondContact O-N 3.39Å; F186-Q188 PolarHBondContact O-N 2.91Å; F186-M189 WeakPolarHBondContact O-CA 3.49Å; F186-M189 WeakPolarHBondContact O-CB 3.41Å; F186-M189 PolarHBondContact O-N 2.88Å; F186-Y192 HydrophobicContact CD1-CD1 4.12Å; F186-Y192 AromaticContact CE1-CD1 3.67Å; F186-Y192 HydrophobicContact CE1-CD1 3.67Å; F186-Y192 HydrophobicContact CE1-CE1 4.16Å; F186-F234 HydrophobicContact CD1-CB 4.45Å; F186-F234 HydrophobicContact CD1-CD1 4.34Å; F186-F234 HydrophobicContact CD1-CD2 4.46Å; F186-F234 HydrophobicContact CD1-CG 4.16Å; F186-F234 HydrophobicContact CE1-CD1 4.48Å; F186-F234 AromaticContact CE1-CD2 3.99Å; F186-F234 HydrophobicContact CE1-CD2 3.99Å; F186-F234 HydrophobicContact CE1-CE2 4.13Å; F186-F234 HydrophobicContact CE1-CG 4.15Å; F186-F234 HydrophobicContact CE1-CZ 4.44Å |
| 187 | G | 84.9 | Confident | 86.2 | Confident | 35 Ų | 35 | 74.2 Ų | 74.2 | 36% | 0.361 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | 48.8 | -121.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | T183 M189 S190 | T183-G187 WeakPolarHBondContact O-CA 3.32Å; T183-G187 PolarHBondContact O-N 3.31Å; G187-M189 PolarHBondContact O-N 3.31Å; G187-S190 PolarHBondContact O-N 3.44Å |
| 188 | Q | 80.1 | Confident | 86.4 | Confident | 120 Ų | 120 | 79 Ų | 79 | 56% | 0.561 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -65.2 | -16.9 | 177.6 | -61.2 | -164.1 | 9.6 | 0 | 0 | 113.9 | F186 S190 | F186-Q188 PolarHBondContact O-N 2.91Å; Q188-S190 VanDerWaalsContact C-N 3.31Å; Q188-S190 PolarHBondContact O-N 3.48Å |
| 189 | M | 80.6 | Confident | 86.5 | Confident | 44 Ų | 44 | 81.3 Ų | 81.3 | 22% | 0.217 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -92.3 | 23.2 | 176.6 | -63 | -63.9 | -75 | 0 | 0 | 112.8 | F186 G187 G191 Y192 I229 M235 | F186-M189 WeakPolarHBondContact O-CA 3.49Å; F186-M189 WeakPolarHBondContact O-CB 3.41Å; F186-M189 PolarHBondContact O-N 2.88Å; G187-M189 PolarHBondContact O-N 3.31Å; M189-G191 PolarHBondContact O-N 2.94Å; M189-G191 VanDerWaalsContact O-N 3.09Å; M189-Y192 WeakPolarHBondContact O-CB 3.39Å; M189-Y192 PolarHBondContact O-N 3.47Å; M189-I229 HydrophobicContact CG-CG2 4.28Å; M189-I229 HydrophobicContact SD-CG2 4.15Å; M189-M235 HydrophobicContact CE-CE 3.7Å; M189-M235 HydrophobicContact CG-CE 4.2Å; M189-M235 HydrophobicContact SD-CE 4.35Å |
| 190 | S | 78 | Confident | 86.6 | Confident | 82 Ų | 82 | 78.2 Ų | 78.2 | 57% | 0.573 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -53.1 | -33.2 | 179.4 | 64.1 | 0 | 0 | 0 | 0 | 113.7 | G187 Q188 Y192 R193 | G187-S190 PolarHBondContact O-N 3.44Å; Q188-S190 VanDerWaalsContact C-N 3.31Å; Q188-S190 PolarHBondContact O-N 3.48Å; S190-Y192 PolarHBondContact O-N 3.37Å; S190-R193 PolarHBondContact O-N 3.28Å |
| 191 | G | 82.1 | Confident | 86.9 | Confident | 44 Ų | 44 | 81.7 Ų | 81.7 | 45% | 0.454 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -64.2 | -21.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | M189 R193 R194 | M189-G191 PolarHBondContact O-N 2.94Å; M189-G191 VanDerWaalsContact O-N 3.09Å; G191-R193 PolarHBondContact O-N 3.01Å; G191-R194 PolarHBondContact O-N 3.14Å |
| 192 | Y | 84.4 | Confident | 87.2 | Confident | 24 Ų | 24 | 85.3 Ų | 85.3 | 9% | 0.094 | 44% | 0.441 | C | S | . | . | G | 310 helix | trans | -58.5 | -36.3 | 176.9 | 179.4 | -101.1 | 0 | 0 | 0 | 112.1 | F186 M189 S190 R194 K195 K200 T203 V204 F234 | F186-Y192 HydrophobicContact CD1-CD1 4.12Å; F186-Y192 AromaticContact CE1-CD1 3.67Å; F186-Y192 HydrophobicContact CE1-CD1 3.67Å; F186-Y192 HydrophobicContact CE1-CE1 4.16Å; M189-Y192 WeakPolarHBondContact O-CB 3.39Å; M189-Y192 PolarHBondContact O-N 3.47Å; S190-Y192 PolarHBondContact O-N 3.37Å; Y192-R194 VanDerWaalsContact C-N 3.25Å; Y192-R194 PolarHBondContact O-N 3.38Å; Y192-K195 WeakPolarHBondContact O-CB 3.38Å; Y192-K195 PolarHBondContact O-N 3.29Å; Y192-K195 VanDerWaalsContact O-N 3.1Å; Y192-K200 HydrophobicContact CD2-CG 4.42Å; Y192-K200 HydrophobicContact CE1-CD 4.46Å; Y192-K200 HydrophobicContact CE1-CG 4.15Å; Y192-K200 HydrophobicContact CE2-CB 4Å; Y192-K200 HydrophobicContact CE2-CG 3.84Å; Y192-K200 WeakPolarHBondContact O-CE 3.37Å; Y192-K200 WeakPolarHBondContact OH-CB 3.33Å; Y192-K200 PolarHBondContact OH-O 2.83Å; Y192-T203 HydrophobicContact CE2-CG2 4.22Å; Y192-V204 VanDerWaalsContact OH-CG2 3.3Å; Y192-V204 WeakPolarHBondContact OH-CG2 3.4Å; Y192-F234 HydrophobicContact CD1-CE1 4.15Å; Y192-F234 AromaticContact CD1-CZ 3.99Å; Y192-F234 HydrophobicContact CD1-CZ 3.99Å; Y192-F234 HydrophobicContact CE1-CE1 4.03Å; Y192-F234 HydrophobicContact CE1-CE2 4.15Å; Y192-F234 AromaticContact CE1-CZ 3.44Å; Y192-F234 HydrophobicContact CE1-CZ 3.44Å; Y192-F234 VanDerWaalsContact CE1-CZ 3.44Å; Y192-F234 HydrophobicContact CE2-CE1 4.48Å; Y192-F234 HydrophobicContact CE2-CZ 4.32Å; Y192-F234 HydrophobicContact CG-CE1 4.42Å; Y192-F234 AromaticContact CZ-CZ 3.63Å |
| 193 | R | 82.9 | Confident | 87.3 | Confident | 149 Ų | 149 | 84.4 Ų | 84.4 | 56% | 0.562 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -58.4 | -36.9 | -178.6 | -174.4 | 176.9 | 174.6 | -170.7 | -0.9 | 112.7 | S190 G191 K200 | S190-R193 PolarHBondContact O-N 3.28Å; G191-R193 PolarHBondContact O-N 3.01Å; R193-K200 WeakPolarHBondContact O-CE 3.48Å; R193-K200 PolarHBondContact O-NZ 3.04Å |
| 194 | R | 86.9 | Confident | 87.6 | Confident | 234 Ų | 234 | 82.5 Ų | 82.5 | 88% | 0.883 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -84 | -6.9 | -177.8 | -64.1 | -176.7 | 179.6 | 169.7 | -0.1 | 113.7 | G191 Y192 | G191-R194 PolarHBondContact O-N 3.14Å; Y192-R194 VanDerWaalsContact C-N 3.25Å; Y192-R194 PolarHBondContact O-N 3.38Å |
| 195 | K | 89.4 | Confident | 88.1 | Confident | 97 Ų | 97 | 86.1 Ų | 86.1 | 42% | 0.422 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -71 | 150 | -179.8 | -65.5 | -166 | 178.9 | -159.8 | 0 | 111.8 | Y192 K200 | Y192-K195 WeakPolarHBondContact O-CB 3.38Å; Y192-K195 PolarHBondContact O-N 3.29Å; Y192-K195 VanDerWaalsContact O-N 3.1Å; K195-K200 HydrophobicContact CB-CG 4.09Å; K195-K200 WeakPolarHBondContact O-CE 3.48Å; K195-K200 PolarHBondContact O-NZ 3.26Å |
| 196 | P | 93.6 | Very high | 88.3 | Confident | 77 Ų | 77 | 85 Ų | 85 | 50% | 0.5 | 45% | 0.447 | S | S | . | . | trans | -65 | 152.6 | 173 | 28.6 | -35.3 | 0 | 0 | 0 | 110.8 | C198 K199 K200 | P196-C198 VanDerWaalsContact C-N 3.31Å; P196-C198 PolarHBondContact O-N 3.43Å; P196-K199 HydrophobicContact CG-CB 4.02Å; P196-K199 HydrophobicContact CG-CD 3.81Å; P196-K199 HydrophobicContact CG-CG 3.86Å; P196-K199 PolarHBondContact O-N 3.13Å; P196-K199 VanDerWaalsContact O-N 3.1Å; P196-K200 PolarHBondContact O-N 3.33Å | ||
| 197 | T | 92.6 | Very high | 88.6 | Confident | 100 Ų | 100 | 84.4 Ų | 84.4 | 61% | 0.613 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -56.1 | -40.9 | -173.8 | -50.9 | 0 | 0 | 0 | 0 | 113 | K199 K200 I201 | T197-K199 PolarHBondContact O-N 2.89Å; T197-K200 WeakPolarHBondContact O-CB 3.38Å; T197-K200 PolarHBondContact O-N 3.16Å; T197-K200 VanDerWaalsContact O-N 3.16Å; T197-I201 HydrophobicContact CG2-CD1 4.03Å; T197-I201 HydrophobicContact CG2-CG1 4.49Å; T197-I201 WeakPolarHBondContact O-CG1 3.47Å; T197-I201 PolarHBondContact O-N 3.02Å |
| 198 | C | 94.3 | Very high | 88.9 | Confident | 100 Ų | 100 | 83.6 Ų | 83.6 | 68% | 0.676 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -59.7 | -46.9 | 177.1 | 179.9 | 0 | 0 | 0 | 0 | 112.3 | P196 K200 I201 M202 | P196-C198 VanDerWaalsContact C-N 3.31Å; P196-C198 PolarHBondContact O-N 3.43Å; C198-K200 VanDerWaalsContact C-N 3.29Å; C198-K200 PolarHBondContact O-N 3.28Å; C198-I201 PolarHBondContact O-N 3.11Å; C198-M202 WeakPolarHBondContact O-CB 3.43Å; C198-M202 PolarHBondContact O-N 3.45Å |
| 199 | K | 91.9 | Very high | 89.5 | Confident | 121 Ų | 121 | 83.8 Ų | 83.8 | 53% | 0.526 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.8 | -32.4 | 176.9 | -69.4 | -174.4 | -179.2 | 178.6 | 0 | 112.3 | P196 T197 T203 | P196-K199 HydrophobicContact CG-CB 4.02Å; P196-K199 HydrophobicContact CG-CD 3.81Å; P196-K199 HydrophobicContact CG-CG 3.86Å; P196-K199 PolarHBondContact O-N 3.13Å; P196-K199 VanDerWaalsContact O-N 3.1Å; T197-K199 PolarHBondContact O-N 2.89Å; K199-T203 WeakPolarHBondContact O-CB 3.4Å; K199-T203 PolarHBondContact O-N 3.48Å; K199-T203 PolarHBondContact O-OG1 2.85Å |
| 200 | K | 92.6 | Very high | 90 | Very high | 54 Ų | 54 | 87 Ų | 87 | 24% | 0.235 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -62.9 | -53.1 | 174.3 | -74 | 174.4 | 171.2 | 155.1 | 0 | 110.9 | Y192 R193 K195 P196 T197 C198 M202 T203 V204 | Y192-K200 HydrophobicContact CD2-CG 4.42Å; Y192-K200 HydrophobicContact CE1-CD 4.46Å; Y192-K200 HydrophobicContact CE1-CG 4.15Å; Y192-K200 HydrophobicContact CE2-CB 4Å; Y192-K200 HydrophobicContact CE2-CG 3.84Å; Y192-K200 WeakPolarHBondContact O-CE 3.37Å; Y192-K200 WeakPolarHBondContact OH-CB 3.33Å; Y192-K200 PolarHBondContact OH-O 2.83Å; R193-K200 WeakPolarHBondContact O-CE 3.48Å; R193-K200 PolarHBondContact O-NZ 3.04Å; K195-K200 HydrophobicContact CB-CG 4.09Å; K195-K200 WeakPolarHBondContact O-CE 3.48Å; K195-K200 PolarHBondContact O-NZ 3.26Å; P196-K200 PolarHBondContact O-N 3.33Å; T197-K200 WeakPolarHBondContact O-CB 3.38Å; T197-K200 PolarHBondContact O-N 3.16Å; T197-K200 VanDerWaalsContact O-N 3.16Å; C198-K200 VanDerWaalsContact C-N 3.29Å; C198-K200 PolarHBondContact O-N 3.28Å; K200-M202 VanDerWaalsContact C-N 3.34Å; K200-M202 PolarHBondContact O-N 3.14Å; K200-T203 WeakPolarHBondContact O-CB 3.35Å; K200-T203 PolarHBondContact O-N 3.48Å; K200-T203 VanDerWaalsContact O-N 3.15Å; K200-V204 WeakPolarHBondContact O-CG2 3.42Å; K200-V204 PolarHBondContact O-N 2.84Å |
| 201 | I | 93.1 | Very high | 90.7 | Very high | 97 Ų | 97 | 86.1 Ų | 86.1 | 50% | 0.497 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -57.2 | -48.8 | 178.1 | -66.3 | 167.3 | 0 | 0 | 0 | 110.4 | T197 C198 T203 V204 L205 | T197-I201 HydrophobicContact CG2-CD1 4.03Å; T197-I201 HydrophobicContact CG2-CG1 4.49Å; T197-I201 WeakPolarHBondContact O-CG1 3.47Å; T197-I201 PolarHBondContact O-N 3.02Å; C198-I201 PolarHBondContact O-N 3.11Å; I201-T203 VanDerWaalsContact C-N 3.29Å; I201-T203 PolarHBondContact O-N 2.92Å; I201-V204 PolarHBondContact O-N 3.45Å; I201-V204 VanDerWaalsContact O-N 3.13Å; I201-L205 HydrophobicContact CG2-CD1 3.88Å; I201-L205 HydrophobicContact CG2-CG 4.27Å; I201-L205 WeakPolarHBondContact O-CG 3.48Å; I201-L205 PolarHBondContact O-N 2.99Å |
| 202 | M | 93.1 | Very high | 91.1 | Very high | 115 Ų | 115 | 87 Ų | 87 | 57% | 0.567 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -58.3 | -41.7 | 178.9 | -166.4 | 176.9 | 79 | 0 | 0 | 112 | C198 K200 L205 T206 | C198-M202 WeakPolarHBondContact O-CB 3.43Å; C198-M202 PolarHBondContact O-N 3.45Å; K200-M202 VanDerWaalsContact C-N 3.34Å; K200-M202 PolarHBondContact O-N 3.14Å; M202-L205 PolarHBondContact O-N 3.28Å; M202-T206 PolarHBondContact O-N 2.89Å; M202-T206 PolarHBondContact O-OG1 3.36Å |
| 203 | T | 90.1 | Very high | 91.4 | Very high | 36 Ų | 36 | 89.7 Ų | 89.7 | 22% | 0.221 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 176.8 | -54 | 0 | 0 | 0 | 0 | 111.5 | Y192 K199 K200 I201 T206 V207 | Y192-T203 HydrophobicContact CE2-CG2 4.22Å; K199-T203 WeakPolarHBondContact O-CB 3.4Å; K199-T203 PolarHBondContact O-N 3.48Å; K199-T203 PolarHBondContact O-OG1 2.85Å; K200-T203 WeakPolarHBondContact O-CB 3.35Å; K200-T203 PolarHBondContact O-N 3.48Å; K200-T203 VanDerWaalsContact O-N 3.15Å; I201-T203 VanDerWaalsContact C-N 3.29Å; I201-T203 PolarHBondContact O-N 2.92Å; T203-T206 PolarHBondContact O-N 2.81Å; T203-V207 WeakPolarHBondContact O-CG2 3.42Å; T203-V207 PolarHBondContact O-N 3.43Å |
| 204 | V | 92.4 | Very high | 91.7 | Very high | 52 Ų | 52 | 84.4 Ų | 84.4 | 32% | 0.315 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 178.6 | 175.6 | 0 | 0 | 0 | 0 | 110.9 | Y192 K200 I201 V207 G208 I238 | Y192-V204 VanDerWaalsContact OH-CG2 3.3Å; Y192-V204 WeakPolarHBondContact OH-CG2 3.4Å; K200-V204 WeakPolarHBondContact O-CG2 3.42Å; K200-V204 PolarHBondContact O-N 2.84Å; I201-V204 PolarHBondContact O-N 3.45Å; I201-V204 VanDerWaalsContact O-N 3.13Å; V204-V207 PolarHBondContact O-N 3.32Å; V204-G208 PolarHBondContact O-N 2.97Å; V204-I238 HydrophobicContact CG1-CD1 4.41Å; V204-I238 HydrophobicContact CG1-CG2 4.29Å; V204-I238 HydrophobicContact CG2-CD1 4.03Å |
| 205 | L | 92.9 | Very high | 91.8 | Very high | 105 Ų | 105 | 75 Ų | 75 | 55% | 0.55 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.2 | -44.8 | 176.7 | -70 | 174.3 | 0 | 0 | 0 | 112 | I201 M202 G208 I209 | I201-L205 HydrophobicContact CG2-CD1 3.88Å; I201-L205 HydrophobicContact CG2-CG 4.27Å; I201-L205 WeakPolarHBondContact O-CG 3.48Å; I201-L205 PolarHBondContact O-N 2.99Å; M202-L205 PolarHBondContact O-N 3.28Å; L205-G208 PolarHBondContact O-N 3.22Å; L205-I209 WeakPolarHBondContact O-CG1 3.5Å; L205-I209 PolarHBondContact O-N 3.42Å |
| 206 | T | 91.5 | Very high | 91.8 | Very high | 70 Ų | 70 | 75.1 Ų | 75.1 | 43% | 0.429 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.9 | -48.8 | 176.6 | -55.1 | 0 | 0 | 0 | 0 | 111.1 | M202 T203 G208 I209 F210 | M202-T206 PolarHBondContact O-N 2.89Å; M202-T206 PolarHBondContact O-OG1 3.36Å; T203-T206 PolarHBondContact O-N 2.81Å; T206-G208 VanDerWaalsContact C-N 3.28Å; T206-G208 PolarHBondContact O-N 2.93Å; T206-I209 PolarHBondContact O-N 2.91Å; T206-F210 HydrophobicContact CG2-CD2 3.88Å; T206-F210 HydrophobicContact CG2-CE2 4.2Å; T206-F210 VanDerWaalsContact O-CD2 3.28Å; T206-F210 WeakPolarHBondContact O-CD2 3.41Å; T206-F210 PolarHBondContact O-N 3.39Å |
| 207 | V | 92 | Very high | 91.4 | Very high | 17 Ų | 17 | 74.3 Ų | 74.3 | 10% | 0.103 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.9 | -39.7 | 177.2 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | T203 V204 F210 W211 L214 M235 I238 I239 | T203-V207 WeakPolarHBondContact O-CG2 3.42Å; T203-V207 PolarHBondContact O-N 3.43Å; V204-V207 PolarHBondContact O-N 3.32Å; V207-F210 CarbonylContact O-C 3.57Å; V207-F210 PolarHBondContact O-N 3.45Å; V207-W211 PolarHBondContact O-N 3.34Å; V207-L214 HydrophobicContact CB-CD1 4.46Å; V207-L214 HydrophobicContact CG1-CD1 3.93Å; V207-M235 HydrophobicContact CG1-SD 4.09Å; V207-M235 HydrophobicContact CG2-CE 4.36Å; V207-M235 HydrophobicContact CG2-SD 4.12Å; V207-I238 HydrophobicContact CB-CG2 4.09Å; V207-I238 HydrophobicContact CG1-CB 4.23Å; V207-I238 HydrophobicContact CG1-CG2 3.64Å; V207-I239 HydrophobicContact CG1-CG1 4.25Å |
| 208 | G | 92.4 | Very high | 91.1 | Very high | 17 Ų | 17 | 73.3 Ų | 73.3 | 18% | 0.175 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.4 | -42.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | V204 L205 T206 | V204-G208 PolarHBondContact O-N 2.97Å; L205-G208 PolarHBondContact O-N 3.22Å; T206-G208 VanDerWaalsContact C-N 3.28Å; T206-G208 PolarHBondContact O-N 2.93Å |
| 209 | I | 92.1 | Very high | 90.8 | Very high | 124 Ų | 124 | 75.1 Ų | 75.1 | 64% | 0.636 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -70 | -41.8 | 177.9 | -68.3 | 164.7 | 0 | 0 | 0 | 111 | L205 T206 W211 | L205-I209 WeakPolarHBondContact O-CG1 3.5Å; L205-I209 PolarHBondContact O-N 3.42Å; T206-I209 PolarHBondContact O-N 2.91Å; I209-W211 VanDerWaalsContact C-N 3.27Å; I209-W211 PolarHBondContact O-N 3.5Å |
| 210 | F | 92.2 | Very high | 90.7 | Very high | 113 Ų | 113 | 75.6 Ų | 75.6 | 50% | 0.496 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 14.2 | -177.8 | -69.8 | -77.2 | 0 | 0 | 0 | 113.8 | T206 V207 V213 L214 | T206-F210 HydrophobicContact CG2-CD2 3.88Å; T206-F210 HydrophobicContact CG2-CE2 4.2Å; T206-F210 VanDerWaalsContact O-CD2 3.28Å; T206-F210 WeakPolarHBondContact O-CD2 3.41Å; T206-F210 PolarHBondContact O-N 3.39Å; V207-F210 CarbonylContact O-C 3.57Å; V207-F210 PolarHBondContact O-N 3.45Å; F210-V213 PolarHBondContact O-N 2.99Å; F210-L214 HydrophobicContact CB-CD1 4.41Å; F210-L214 HydrophobicContact CB-CG 4.46Å; F210-L214 VanDerWaalsContact O-CG 3.29Å; F210-L214 WeakPolarHBondContact O-CG 3.47Å; F210-L214 PolarHBondContact O-N 2.95Å |
| 211 | W | 92.1 | Very high | 90.4 | Very high | 62 Ų | 62 | 75.1 Ų | 75.1 | 24% | 0.235 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -52.9 | -39.9 | -179.2 | 85.6 | -99.9 | 0 | 0 | 0 | 115.1 | V207 I209 S215 I239 A242 | V207-W211 PolarHBondContact O-N 3.34Å; I209-W211 VanDerWaalsContact C-N 3.27Å; I209-W211 PolarHBondContact O-N 3.5Å; W211-S215 WeakPolarHBondContact O-CB 3.32Å; W211-S215 PolarHBondContact O-N 3.44Å; W211-S215 PolarHBondContact O-OG 3.28Å; W211-I239 HydrophobicContact CB-CG2 4.41Å; W211-I239 HydrophobicContact CE3-CG2 4.41Å; W211-A242 HydrophobicContact CB-CB 4.05Å; W211-A242 HydrophobicContact CG-CB 4.05Å |
| 212 | P | 91.3 | Very high | 89.8 | Confident | 62 Ų | 62 | 73.7 Ų | 73.7 | 40% | 0.403 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -73 | -38 | -176.9 | 28.3 | -33 | 0 | 0 | 0 | 111.4 | S215 L216 | P212-S215 PolarHBondContact O-N 2.71Å; P212-L216 WeakPolarHBondContact O-CB 3.36Å; P212-L216 PolarHBondContact O-N 3.45Å |
| 213 | V | 90.3 | Very high | 89.3 | Confident | 81 Ų | 81 | 77.8 Ų | 77.8 | 49% | 0.491 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66 | -44.4 | 175.9 | -179.7 | 0 | 0 | 0 | 0 | 110.3 | F210 S215 L216 C217 | F210-V213 PolarHBondContact O-N 2.99Å; V213-S215 VanDerWaalsContact C-N 3.34Å; V213-S215 PolarHBondContact O-N 3.25Å; V213-L216 PolarHBondContact O-N 3.26Å; V213-C217 WeakPolarHBondContact O-CB 3.44Å; V213-C217 PolarHBondContact O-N 3.02Å; V213-C217 PolarHBondContact O-SG 3.5Å |
| 214 | L | 88.1 | Confident | 89.1 | Confident | 39 Ų | 39 | 78 Ų | 78 | 20% | 0.204 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -61.7 | -41.9 | 177.8 | -68.9 | 172.2 | 0 | 0 | 0 | 111.9 | V207 F210 C217 Y218 I230 I239 | V207-L214 HydrophobicContact CB-CD1 4.46Å; V207-L214 HydrophobicContact CG1-CD1 3.93Å; F210-L214 HydrophobicContact CB-CD1 4.41Å; F210-L214 HydrophobicContact CB-CG 4.46Å; F210-L214 VanDerWaalsContact O-CG 3.29Å; F210-L214 WeakPolarHBondContact O-CG 3.47Å; F210-L214 PolarHBondContact O-N 2.95Å; L214-C217 PolarHBondContact O-N 3.49Å; L214-Y218 PolarHBondContact O-N 3.24Å; L214-I230 HydrophobicContact CB-CD1 4.16Å; L214-I230 HydrophobicContact CD2-CD1 4.29Å; L214-I230 WeakPolarHBondContact O-CD1 3.33Å; L214-I239 HydrophobicContact CB-CD1 4.41Å |
| 215 | S | 89.4 | Confident | 88.5 | Confident | 37 Ų | 37 | 82.4 Ų | 82.4 | 26% | 0.259 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 175.3 | -59.3 | 0 | 0 | 0 | 0 | 112 | W211 P212 V213 Y218 L219 I239 | W211-S215 WeakPolarHBondContact O-CB 3.32Å; W211-S215 PolarHBondContact O-N 3.44Å; W211-S215 PolarHBondContact O-OG 3.28Å; P212-S215 PolarHBondContact O-N 2.71Å; V213-S215 VanDerWaalsContact C-N 3.34Å; V213-S215 PolarHBondContact O-N 3.25Å; S215-Y218 WeakPolarHBondContact O-CB 3.28Å; S215-Y218 PolarHBondContact O-N 3.46Å; S215-L219 PolarHBondContact O-N 3.35Å; S215-L219 VanDerWaalsContact O-N 3.16Å; S215-I239 WeakPolarHBondContact OG-CG2 3.14Å |
| 216 | L | 88.9 | Confident | 88 | Confident | 99 Ų | 99 | 84.2 Ų | 84.2 | 52% | 0.518 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.5 | -43.1 | 177.1 | -174.5 | 63.2 | 0 | 0 | 0 | 112 | P212 V213 Y218 L219 I220 | P212-L216 WeakPolarHBondContact O-CB 3.36Å; P212-L216 PolarHBondContact O-N 3.45Å; V213-L216 PolarHBondContact O-N 3.26Å; L216-Y218 VanDerWaalsContact C-N 3.25Å; L216-Y218 PolarHBondContact O-N 2.96Å; L216-L219 WeakPolarHBondContact O-CB 3.34Å; L216-L219 PolarHBondContact O-N 3.49Å; L216-L219 VanDerWaalsContact O-N 3.13Å; L216-I220 HydrophobicContact CD1-CD1 4.3Å; L216-I220 HydrophobicContact CG-CD1 4.01Å; L216-I220 WeakPolarHBondContact O-CG1 3.42Å; L216-I220 PolarHBondContact O-N 2.95Å; L216-I220 VanDerWaalsContact O-N 3.11Å |
| 217 | C | 86.2 | Confident | 87.5 | Confident | 60 Ų | 60 | 80.9 Ų | 80.9 | 41% | 0.405 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -58.4 | -37.9 | 174.3 | -72.6 | 0 | 0 | 0 | 0 | 112.2 | V213 L214 I220 A221 | V213-C217 WeakPolarHBondContact O-CB 3.44Å; V213-C217 PolarHBondContact O-N 3.02Å; V213-C217 PolarHBondContact O-SG 3.5Å; L214-C217 PolarHBondContact O-N 3.49Å; C217-I220 PolarHBondContact O-N 2.94Å; C217-A221 PolarHBondContact O-N 3.32Å |
| 218 | Y | 86.8 | Confident | 87.1 | Confident | 78 Ų | 78 | 86 Ų | 86 | 31% | 0.306 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.4 | -37.4 | 176.1 | -178.1 | -99.2 | 0 | 0 | 0 | 112.6 | L214 S215 L216 P222 I230 | L214-Y218 PolarHBondContact O-N 3.24Å; S215-Y218 WeakPolarHBondContact O-CB 3.28Å; S215-Y218 PolarHBondContact O-N 3.46Å; L216-Y218 VanDerWaalsContact C-N 3.25Å; L216-Y218 PolarHBondContact O-N 2.96Å; Y218-P222 HydrophobicContact CE2-CB 4.37Å; Y218-I230 HydrophobicContact CD2-CB 4.17Å; Y218-I230 HydrophobicContact CD2-CG2 3.87Å; Y218-I230 HydrophobicContact CG-CG2 4.13Å |
| 219 | L | 87.7 | Confident | 86.7 | Confident | 139 Ų | 139 | 87.4 Ų | 87.4 | 73% | 0.728 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -66.2 | -39.4 | 175.9 | -72 | 170.6 | 0 | 0 | 0 | 112.5 | S215 L216 | S215-L219 PolarHBondContact O-N 3.35Å; S215-L219 VanDerWaalsContact O-N 3.16Å; L216-L219 WeakPolarHBondContact O-CB 3.34Å; L216-L219 PolarHBondContact O-N 3.49Å; L216-L219 VanDerWaalsContact O-N 3.13Å |
| 220 | I | 89.6 | Confident | 86.3 | Confident | 131 Ų | 131 | 82.2 Ų | 82.2 | 67% | 0.672 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -78.1 | -43.8 | -176.1 | -62.2 | 167.2 | 0 | 0 | 0 | 111.5 | L216 C217 | L216-I220 HydrophobicContact CD1-CD1 4.3Å; L216-I220 HydrophobicContact CG-CD1 4.01Å; L216-I220 WeakPolarHBondContact O-CG1 3.42Å; L216-I220 PolarHBondContact O-N 2.95Å; L216-I220 VanDerWaalsContact O-N 3.11Å; C217-I220 PolarHBondContact O-N 2.94Å |
| 221 | A | 86.3 | Confident | 85.9 | Confident | 44 Ų | 44 | 80.2 Ų | 80.2 | 36% | 0.364 | 41% | 0.409 | S | S | . | . | trans | -139.4 | 72.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | C217 K223 S224 | C217-A221 PolarHBondContact O-N 3.32Å; A221-K223 VanDerWaalsContact C-N 3.27Å; A221-K223 PolarHBondContact O-N 3.3Å; A221-S224 WeakPolarHBondContact O-CB 3.42Å; A221-S224 PolarHBondContact O-N 2.8Å; A221-S224 PolarHBondContact O-OG 3.41Å | ||
| 222 | P | 81.3 | Confident | 85.6 | Confident | 66 Ų | 66 | 77.9 Ų | 77.9 | 43% | 0.429 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -26.6 | -175.2 | 25.1 | -34.5 | 0 | 0 | 0 | 113.6 | Y218 S224 | Y218-P222 HydrophobicContact CE2-CB 4.37Å; P222-S224 VanDerWaalsContact C-N 3.32Å; P222-S224 PolarHBondContact O-N 2.95Å |
| 223 | K | 80.8 | Confident | 85.5 | Confident | 201 Ų | 201 | 76.9 Ų | 76.9 | 87% | 0.874 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -2.2 | -179.9 | -63.8 | -174.1 | -179.4 | 178.1 | 0 | 114.2 | A221 | A221-K223 VanDerWaalsContact C-N 3.27Å; A221-K223 PolarHBondContact O-N 3.3Å |
| 224 | S | 86 | Confident | 85.4 | Confident | 42 Ų | 42 | 73.9 Ų | 73.9 | 29% | 0.294 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -67.8 | 166.4 | 179 | 67.2 | 0 | 0 | 0 | 0 | 112.5 | A221 P222 F226 G227 R228 | A221-S224 WeakPolarHBondContact O-CB 3.42Å; A221-S224 PolarHBondContact O-N 2.8Å; A221-S224 PolarHBondContact O-OG 3.41Å; P222-S224 VanDerWaalsContact C-N 3.32Å; P222-S224 PolarHBondContact O-N 2.95Å; S224-F226 VanDerWaalsContact C-N 3.28Å; S224-F226 PolarHBondContact O-N 2.87Å; S224-G227 PolarHBondContact O-N 3.27Å; S224-G227 PolarHBondContact OG-N 3.41Å; S224-R228 PolarHBondContact O-N 3.39Å |
| 225 | Q | 81.5 | Confident | 85.5 | Confident | 143 Ų | 143 | 72.6 Ų | 72.6 | 67% | 0.668 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -58.1 | -41.9 | 174 | -67.6 | -166.4 | -10.3 | 0 | 0 | 111.7 | R228 I229 | Q225-R228 PolarHBondContact O-N 3.2Å; Q225-I229 WeakPolarHBondContact O-CG1 3.44Å; Q225-I229 PolarHBondContact O-N 3.03Å |
| 226 | F | 80.9 | Confident | 85.5 | Confident | 143 Ų | 143 | 74.3 Ų | 74.3 | 63% | 0.627 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -65.8 | -40.9 | 174.6 | -74.4 | -79.4 | 0 | 0 | 0 | 112.4 | S224 R228 I229 I230 | S224-F226 VanDerWaalsContact C-N 3.28Å; S224-F226 PolarHBondContact O-N 2.87Å; F226-R228 VanDerWaalsContact C-N 3.31Å; F226-R228 PolarHBondContact O-N 3.19Å; F226-I229 PolarHBondContact O-N 3.33Å; F226-I229 VanDerWaalsContact O-N 3.12Å; F226-I230 WeakPolarHBondContact O-CG1 3.32Å; F226-I230 PolarHBondContact O-N 3.17Å |
| 227 | G | 82.1 | Confident | 85.7 | Confident | 1 Ų | 1 | 75.9 Ų | 75.9 | 1% | 0.01 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -58.2 | -41.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | S224 I229 I230 H231 | S224-G227 PolarHBondContact O-N 3.27Å; S224-G227 PolarHBondContact OG-N 3.41Å; G227-I229 PolarHBondContact O-N 3.3Å; G227-I230 PolarHBondContact O-N 2.79Å; G227-H231 WeakPolarHBondContact O-CB 3.33Å; G227-H231 PolarHBondContact O-N 2.98Å |
| 228 | R | 82.4 | Confident | 86 | Confident | 124 Ų | 124 | 73.8 Ų | 73.8 | 47% | 0.468 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.9 | -35.3 | 174.6 | -68.9 | -171.1 | -65.6 | -167.1 | -0.2 | 113.5 | S224 Q225 F226 H231 | S224-R228 PolarHBondContact O-N 3.39Å; Q225-R228 PolarHBondContact O-N 3.2Å; F226-R228 VanDerWaalsContact C-N 3.31Å; F226-R228 PolarHBondContact O-N 3.19Å; R228-H231 PolarHBondContact O-N 3.23Å |
| 229 | I | 84.1 | Confident | 86.3 | Confident | 47 Ų | 47 | 70.8 Ų | 70.8 | 24% | 0.241 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.6 | -45.9 | 174.8 | -66.5 | 166.8 | 0 | 0 | 0 | 110.3 | M189 Q225 F226 G227 H231 T232 M235 | M189-I229 HydrophobicContact CG-CG2 4.28Å; M189-I229 HydrophobicContact SD-CG2 4.15Å; Q225-I229 WeakPolarHBondContact O-CG1 3.44Å; Q225-I229 PolarHBondContact O-N 3.03Å; F226-I229 PolarHBondContact O-N 3.33Å; F226-I229 VanDerWaalsContact O-N 3.12Å; G227-I229 PolarHBondContact O-N 3.3Å; I229-H231 PolarHBondContact O-N 3.2Å; I229-T232 WeakPolarHBondContact O-CB 3.29Å; I229-T232 WeakPolarHBondContact O-CG2 3.29Å; I229-T232 PolarHBondContact O-N 2.67Å; I229-T232 VanDerWaalsContact O-N 3.14Å; I229-T232 PolarHBondContact O-OG1 3.13Å; I229-M235 HydrophobicContact CG2-CE 4.02Å; I229-M235 HydrophobicContact CG2-CG 4.11Å; I229-M235 WeakPolarHBondContact O-CG 3.23Å |
| 230 | I | 84.8 | Confident | 86.6 | Confident | 14 Ų | 14 | 70.5 Ų | 70.5 | 7% | 0.072 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.7 | -31 | 177.3 | -66.3 | 167.1 | 0 | 0 | 0 | 111.1 | L214 Y218 F226 G227 T232 K236 I239 | L214-I230 HydrophobicContact CB-CD1 4.16Å; L214-I230 HydrophobicContact CD2-CD1 4.29Å; L214-I230 WeakPolarHBondContact O-CD1 3.33Å; Y218-I230 HydrophobicContact CD2-CB 4.17Å; Y218-I230 HydrophobicContact CD2-CG2 3.87Å; Y218-I230 HydrophobicContact CG-CG2 4.13Å; F226-I230 WeakPolarHBondContact O-CG1 3.32Å; F226-I230 PolarHBondContact O-N 3.17Å; G227-I230 PolarHBondContact O-N 2.79Å; I230-T232 PolarHBondContact O-N 2.78Å; I230-T232 VanDerWaalsContact O-N 3.15Å; I230-K236 WeakPolarHBondContact O-CG 3.34Å; I230-I239 HydrophobicContact CG2-CD1 3.94Å |
| 231 | H | 83.9 | Confident | 86.8 | Confident | 71 Ų | 71 | 66.1 Ų | 66.1 | 33% | 0.329 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -19.6 | 177.7 | -163.8 | -95.3 | 0 | 0 | 0 | 113.7 | G227 R228 I229 K236 | G227-H231 WeakPolarHBondContact O-CB 3.33Å; G227-H231 PolarHBondContact O-N 2.98Å; R228-H231 PolarHBondContact O-N 3.23Å; I229-H231 PolarHBondContact O-N 3.2Å; H231-K236 PolarHBondContact NE2-NZ 3.12Å; H231-K236 VanDerWaalsContact O-CE 3.23Å; H231-K236 WeakPolarHBondContact O-CE 3.45Å; H231-K236 PolarHBondContact O-NZ 2.9Å; H231-K236 VanDerWaalsContact O-NZ 3.13Å |
| 232 | T | 85.9 | Confident | 87.2 | Confident | 13 Ų | 13 | 64.8 Ų | 64.8 | 8% | 0.08 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -65.5 | 142.2 | 177.6 | 64 | 0 | 0 | 0 | 0 | 111.9 | I229 I230 F234 M235 K236 | I229-T232 WeakPolarHBondContact O-CB 3.29Å; I229-T232 WeakPolarHBondContact O-CG2 3.29Å; I229-T232 PolarHBondContact O-N 2.67Å; I229-T232 VanDerWaalsContact O-N 3.14Å; I229-T232 PolarHBondContact O-OG1 3.13Å; I230-T232 PolarHBondContact O-N 2.78Å; I230-T232 VanDerWaalsContact O-N 3.15Å; T232-F234 VanDerWaalsContact C-N 3.26Å; T232-F234 PolarHBondContact O-N 3.04Å; T232-M235 PolarHBondContact O-N 2.97Å; T232-M235 VanDerWaalsContact O-N 3.14Å; T232-M235 WeakPolarHBondContact OG1-CG 3.5Å; T232-K236 PolarHBondContact O-N 3.04Å; T232-K236 VanDerWaalsContact O-N 3.11Å |
| 233 | P | 87.9 | Confident | 87.9 | Confident | 41 Ų | 41 | 63.6 Ų | 63.6 | 27% | 0.266 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.7 | -32.8 | -175.7 | 27 | -35.5 | 0 | 0 | 0 | 112.2 | W185 M235 K236 F237 | W185-P233 HydrophobicContact CD2-CG 4.41Å; W185-P233 HydrophobicContact CE3-CB 3.92Å; W185-P233 HydrophobicContact CE3-CG 4.03Å; W185-P233 HydrophobicContact CZ3-CB 4.01Å; W185-P233 WeakPolarHBondContact O-CG 3.4Å; P233-M235 PolarHBondContact O-N 3.25Å; P233-K236 PolarHBondContact O-N 3.5Å; P233-F237 WeakPolarHBondContact O-CB 3.49Å; P233-F237 PolarHBondContact O-N 3.45Å |
| 234 | F | 89.6 | Confident | 88.5 | Confident | 18 Ų | 18 | 61 Ų | 61 | 8% | 0.079 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.2 | -45.8 | 173.2 | 176.5 | -115.5 | 0 | 0 | 0 | 113.1 | W185 F186 Y192 T232 F237 I238 | W185-F234 HydrophobicContact CZ2-CB 4.47Å; W185-F234 HydrophobicContact CZ2-CD2 4.34Å; W185-F234 AromaticContact NE1-CD2 3.4Å; W185-F234 AromaticContact NE1-CG 3.9Å; W185-F234 WeakPolarHBondContact O-CB 3.49Å; W185-F234 PolarHBondContact O-N 2.98Å; F186-F234 HydrophobicContact CD1-CB 4.45Å; F186-F234 HydrophobicContact CD1-CD1 4.34Å; F186-F234 HydrophobicContact CD1-CD2 4.46Å; F186-F234 HydrophobicContact CD1-CG 4.16Å; F186-F234 HydrophobicContact CE1-CD1 4.48Å; F186-F234 AromaticContact CE1-CD2 3.99Å; F186-F234 HydrophobicContact CE1-CD2 3.99Å; F186-F234 HydrophobicContact CE1-CE2 4.13Å; F186-F234 HydrophobicContact CE1-CG 4.15Å; F186-F234 HydrophobicContact CE1-CZ 4.44Å; Y192-F234 HydrophobicContact CD1-CE1 4.15Å; Y192-F234 AromaticContact CD1-CZ 3.99Å; Y192-F234 HydrophobicContact CD1-CZ 3.99Å; Y192-F234 HydrophobicContact CE1-CE1 4.03Å; Y192-F234 HydrophobicContact CE1-CE2 4.15Å; Y192-F234 AromaticContact CE1-CZ 3.44Å; Y192-F234 HydrophobicContact CE1-CZ 3.44Å; Y192-F234 VanDerWaalsContact CE1-CZ 3.44Å; Y192-F234 HydrophobicContact CE2-CE1 4.48Å; Y192-F234 HydrophobicContact CE2-CZ 4.32Å; Y192-F234 HydrophobicContact CG-CE1 4.42Å; Y192-F234 AromaticContact CZ-CZ 3.63Å; T232-F234 VanDerWaalsContact C-N 3.26Å; T232-F234 PolarHBondContact O-N 3.04Å; F234-F237 PolarHBondContact O-N 2.88Å; F234-I238 HydrophobicContact CD1-CD1 4.25Å; F234-I238 HydrophobicContact CD2-CD1 4.34Å; F234-I238 HydrophobicContact CE1-CD1 3.67Å; F234-I238 HydrophobicContact CE2-CD1 3.79Å; F234-I238 HydrophobicContact CE2-CG1 4.39Å; F234-I238 HydrophobicContact CZ-CD1 3.43Å; F234-I238 VanDerWaalsContact CZ-CD1 3.43Å; F234-I238 HydrophobicContact CZ-CG1 4.48Å; F234-I238 PolarHBondContact O-N 3.48Å |
| 235 | M | 89.4 | Confident | 88.9 | Confident | 13 Ų | 13 | 65.4 Ų | 65.4 | 6% | 0.064 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.2 | -42.7 | 179.6 | -73.9 | -63.6 | -179.7 | 0 | 0 | 111.8 | M189 V207 I229 T232 P233 F237 I238 I239 | M189-M235 HydrophobicContact CE-CE 3.7Å; M189-M235 HydrophobicContact CG-CE 4.2Å; M189-M235 HydrophobicContact SD-CE 4.35Å; V207-M235 HydrophobicContact CG1-SD 4.09Å; V207-M235 HydrophobicContact CG2-CE 4.36Å; V207-M235 HydrophobicContact CG2-SD 4.12Å; I229-M235 HydrophobicContact CG2-CE 4.02Å; I229-M235 HydrophobicContact CG2-CG 4.11Å; I229-M235 WeakPolarHBondContact O-CG 3.23Å; T232-M235 PolarHBondContact O-N 2.97Å; T232-M235 VanDerWaalsContact O-N 3.14Å; T232-M235 WeakPolarHBondContact OG1-CG 3.5Å; P233-M235 PolarHBondContact O-N 3.25Å; M235-F237 VanDerWaalsContact C-N 3.27Å; M235-F237 PolarHBondContact O-N 2.95Å; M235-I238 PolarHBondContact O-N 3.27Å; M235-I239 WeakPolarHBondContact O-CG1 3.09Å; M235-I239 PolarHBondContact O-N 3.37Å |
| 236 | K | 90.1 | Very high | 89.4 | Confident | 72 Ų | 72 | 60.9 Ų | 60.9 | 31% | 0.313 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -55.1 | -45.3 | 173.3 | -68.5 | 178 | 178.6 | 164.8 | 0 | 110.9 | I230 H231 T232 P233 I238 I239 H240 | I230-K236 WeakPolarHBondContact O-CG 3.34Å; H231-K236 PolarHBondContact NE2-NZ 3.12Å; H231-K236 VanDerWaalsContact O-CE 3.23Å; H231-K236 WeakPolarHBondContact O-CE 3.45Å; H231-K236 PolarHBondContact O-NZ 2.9Å; H231-K236 VanDerWaalsContact O-NZ 3.13Å; T232-K236 PolarHBondContact O-N 3.04Å; T232-K236 VanDerWaalsContact O-N 3.11Å; P233-K236 PolarHBondContact O-N 3.5Å; K236-I238 PolarHBondContact O-N 3.2Å; K236-I239 PolarHBondContact O-N 2.83Å; K236-H240 WeakPolarHBondContact O-CB 3.28Å; K236-H240 PolarHBondContact O-CD2 3.05Å; K236-H240 PolarHBondContact O-N 3.28Å |
| 237 | F | 92.8 | Very high | 90.1 | Very high | 133 Ų | 133 | 59.6 Ų | 59.6 | 58% | 0.583 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -58.4 | -46.7 | 177.9 | 178.9 | -99.5 | 0 | 0 | 0 | 112.7 | W185 P233 F234 M235 G241 | W185-F237 HydrophobicContact CH2-CB 3.89Å; W185-F237 HydrophobicContact CH2-CD2 4.38Å; W185-F237 HydrophobicContact CH2-CG 4.1Å; W185-F237 HydrophobicContact CZ2-CB 4.02Å; W185-F237 HydrophobicContact CZ2-CD1 4.43Å; W185-F237 HydrophobicContact CZ2-CG 4.18Å; P233-F237 WeakPolarHBondContact O-CB 3.49Å; P233-F237 PolarHBondContact O-N 3.45Å; F234-F237 PolarHBondContact O-N 2.88Å; M235-F237 VanDerWaalsContact C-N 3.27Å; M235-F237 PolarHBondContact O-N 2.95Å; F237-G241 PolarHBondContact O-N 2.96Å |
| 238 | I | 92.9 | Very high | 90.7 | Very high | 16 Ų | 16 | 62.5 Ų | 62.5 | 8% | 0.082 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64 | -45.7 | 178.3 | -64.8 | 168.6 | 0 | 0 | 0 | 110.9 | V204 V207 F234 M235 K236 G241 A242 | V204-I238 HydrophobicContact CG1-CD1 4.41Å; V204-I238 HydrophobicContact CG1-CG2 4.29Å; V204-I238 HydrophobicContact CG2-CD1 4.03Å; V207-I238 HydrophobicContact CB-CG2 4.09Å; V207-I238 HydrophobicContact CG1-CB 4.23Å; V207-I238 HydrophobicContact CG1-CG2 3.64Å; F234-I238 HydrophobicContact CD1-CD1 4.25Å; F234-I238 HydrophobicContact CD2-CD1 4.34Å; F234-I238 HydrophobicContact CE1-CD1 3.67Å; F234-I238 HydrophobicContact CE2-CD1 3.79Å; F234-I238 HydrophobicContact CE2-CG1 4.39Å; F234-I238 HydrophobicContact CZ-CD1 3.43Å; F234-I238 VanDerWaalsContact CZ-CD1 3.43Å; F234-I238 HydrophobicContact CZ-CG1 4.48Å; F234-I238 PolarHBondContact O-N 3.48Å; M235-I238 PolarHBondContact O-N 3.27Å; K236-I238 PolarHBondContact O-N 3.2Å; I238-G241 PolarHBondContact O-N 3.39Å; I238-A242 VanDerWaalsContact O-CB 3.29Å; I238-A242 WeakPolarHBondContact O-CB 3.37Å; I238-A242 PolarHBondContact O-N 3.27Å |
| 239 | I | 92.6 | Very high | 91.2 | Very high | 14 Ų | 14 | 60.4 Ų | 60.4 | 7% | 0.072 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.9 | -46.2 | -178.2 | -68.4 | 168 | 0 | 0 | 0 | 110.7 | V207 W211 L214 S215 I230 M235 K236 A242 S243 | V207-I239 HydrophobicContact CG1-CG1 4.25Å; W211-I239 HydrophobicContact CB-CG2 4.41Å; W211-I239 HydrophobicContact CE3-CG2 4.41Å; L214-I239 HydrophobicContact CB-CD1 4.41Å; S215-I239 WeakPolarHBondContact OG-CG2 3.14Å; I230-I239 HydrophobicContact CG2-CD1 3.94Å; M235-I239 WeakPolarHBondContact O-CG1 3.09Å; M235-I239 PolarHBondContact O-N 3.37Å; K236-I239 PolarHBondContact O-N 2.83Å; I239-A242 PolarHBondContact O-N 2.87Å; I239-S243 WeakPolarHBondContact O-CB 3.43Å; I239-S243 PolarHBondContact O-N 2.82Å |
| 240 | H | 92.7 | Very high | 91.7 | Very high | 134 Ų | 134 | 63.6 Ų | 63.6 | 62% | 0.62 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -62.3 | -44.2 | 175.5 | -75.2 | -62.4 | 0 | 0 | 0 | 111.9 | K236 A242 S243 Y244 | K236-H240 WeakPolarHBondContact O-CB 3.28Å; K236-H240 PolarHBondContact O-CD2 3.05Å; K236-H240 PolarHBondContact O-N 3.28Å; H240-A242 PolarHBondContact O-N 3.09Å; H240-S243 PolarHBondContact O-N 3.45Å; H240-Y244 WeakPolarHBondContact O-CB 3.3Å; H240-Y244 PolarHBondContact O-N 3.37Å |
| 241 | G | 95 | Very high | 92.2 | Very high | 39 Ų | 39 | 67.1 Ų | 67.1 | 40% | 0.402 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F237 I238 Y244 F245 | F237-G241 PolarHBondContact O-N 2.96Å; I238-G241 PolarHBondContact O-N 3.39Å; G241-Y244 PolarHBondContact O-N 3.34Å; G241-F245 WeakPolarHBondContact O-CB 3.47Å; G241-F245 PolarHBondContact O-N 3.31Å |
| 242 | A | 94.8 | Very high | 92.6 | Very high | 15 Ų | 15 | 69.4 Ų | 69.4 | 12% | 0.124 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66.2 | -44 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | W211 I238 I239 H240 Y244 F245 T246 | W211-A242 HydrophobicContact CB-CB 4.05Å; W211-A242 HydrophobicContact CG-CB 4.05Å; I238-A242 VanDerWaalsContact O-CB 3.29Å; I238-A242 WeakPolarHBondContact O-CB 3.37Å; I238-A242 PolarHBondContact O-N 3.27Å; I239-A242 PolarHBondContact O-N 2.87Å; H240-A242 PolarHBondContact O-N 3.09Å; A242-Y244 PolarHBondContact O-N 3.13Å; A242-F245 PolarHBondContact O-N 2.87Å; A242-T246 WeakPolarHBondContact O-CG2 3.36Å; A242-T246 PolarHBondContact O-N 3.29Å; A242-T246 PolarHBondContact O-OG1 3.3Å |
| 243 | S | 94.8 | Very high | 93 | Very high | 42 Ų | 42 | 75.2 Ų | 75.2 | 29% | 0.294 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.7 | -46.4 | 175.9 | -178.6 | 0 | 0 | 0 | 0 | 111.6 | I239 H240 F245 T246 F247 | I239-S243 WeakPolarHBondContact O-CB 3.43Å; I239-S243 PolarHBondContact O-N 2.82Å; H240-S243 PolarHBondContact O-N 3.45Å; S243-F245 PolarHBondContact O-N 2.91Å; S243-T246 WeakPolarHBondContact CA-OG1 3.34Å; S243-T246 PolarHBondContact O-N 2.99Å; S243-T246 PolarHBondContact O-OG1 2.71Å; S243-F247 PolarHBondContact O-N 2.99Å |
| 244 | Y | 94.9 | Very high | 92.9 | Very high | 147 Ų | 147 | 83.7 Ų | 83.7 | 58% | 0.576 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.3 | -41.6 | 176 | -174 | -104.7 | 0 | 0 | 0 | 112.3 | H240 G241 A242 T246 F247 L248 | H240-Y244 WeakPolarHBondContact O-CB 3.3Å; H240-Y244 PolarHBondContact O-N 3.37Å; G241-Y244 PolarHBondContact O-N 3.34Å; A242-Y244 PolarHBondContact O-N 3.13Å; Y244-T246 PolarHBondContact O-N 3.03Å; Y244-F247 WeakPolarHBondContact O-CB 3.05Å; Y244-F247 PolarHBondContact O-N 2.82Å; Y244-L248 HydrophobicContact CD1-CD1 4.02Å; Y244-L248 HydrophobicContact CD1-CG 4.4Å; Y244-L248 HydrophobicContact CE1-CD1 3.59Å; Y244-L248 HydrophobicContact CE1-CD2 4.47Å; Y244-L248 HydrophobicContact CE1-CG 4.07Å; Y244-L248 WeakPolarHBondContact O-CG 2.99Å; Y244-L248 PolarHBondContact O-N 3.4Å |
| 245 | F | 94.4 | Very high | 92 | Very high | 134 Ų | 134 | 89.7 Ų | 89.7 | 59% | 0.588 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -61.7 | -43.3 | 174.8 | -177.6 | -96.4 | 0 | 0 | 0 | 112.1 | G241 A242 S243 F247 L248 L249 | G241-F245 WeakPolarHBondContact O-CB 3.47Å; G241-F245 PolarHBondContact O-N 3.31Å; A242-F245 PolarHBondContact O-N 2.87Å; S243-F245 PolarHBondContact O-N 2.91Å; F245-F247 VanDerWaalsContact C-N 3.32Å; F245-F247 PolarHBondContact O-N 3.1Å; F245-L248 PolarHBondContact O-N 2.93Å; F245-L249 HydrophobicContact CE1-CD1 4.2Å; F245-L249 WeakPolarHBondContact O-CB 3.46Å; F245-L249 PolarHBondContact O-N 3.04Å |
| 246 | T | 92.3 | Very high | 92.1 | Very high | 47 Ų | 47 | 93.5 Ų | 93.5 | 29% | 0.288 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.9 | -36.7 | 175.4 | 52.3 | 0 | 0 | 0 | 0 | 112.6 | A242 S243 Y244 L249 L250 | A242-T246 WeakPolarHBondContact O-CG2 3.36Å; A242-T246 PolarHBondContact O-N 3.29Å; A242-T246 PolarHBondContact O-OG1 3.3Å; S243-T246 WeakPolarHBondContact CA-OG1 3.34Å; S243-T246 PolarHBondContact O-N 2.99Å; S243-T246 PolarHBondContact O-OG1 2.71Å; Y244-T246 PolarHBondContact O-N 3.03Å; T246-L249 PolarHBondContact O-N 3.24Å; T246-L250 WeakPolarHBondContact O-CG 3.47Å; T246-L250 PolarHBondContact O-N 3.38Å |
| 247 | F | 94.3 | Very high | 92.2 | Very high | 116 Ų | 116 | 94.6 Ų | 94.6 | 51% | 0.509 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.5 | -47.1 | 173.4 | 168.5 | -101.5 | 0 | 0 | 0 | 111.6 | S243 Y244 F245 L249 L250 L251 | S243-F247 PolarHBondContact O-N 2.99Å; Y244-F247 WeakPolarHBondContact O-CB 3.05Å; Y244-F247 PolarHBondContact O-N 2.82Å; F245-F247 VanDerWaalsContact C-N 3.32Å; F245-F247 PolarHBondContact O-N 3.1Å; F247-L249 VanDerWaalsContact C-N 3.31Å; F247-L249 PolarHBondContact O-N 2.95Å; F247-L250 PolarHBondContact O-N 2.96Å; F247-L251 HydrophobicContact CE1-CD1 4.26Å; F247-L251 HydrophobicContact CZ-CD1 4.05Å; F247-L251 WeakPolarHBondContact O-CB 3.45Å; F247-L251 PolarHBondContact O-N 2.95Å |
| 248 | L | 94.7 | Very high | 92.2 | Very high | 62 Ų | 62 | 92.5 Ų | 92.5 | 33% | 0.325 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.7 | -39.2 | 176 | -68.4 | 179.4 | 0 | 0 | 0 | 112.2 | Y244 F245 L251 N252 | Y244-L248 HydrophobicContact CD1-CD1 4.02Å; Y244-L248 HydrophobicContact CD1-CG 4.4Å; Y244-L248 HydrophobicContact CE1-CD1 3.59Å; Y244-L248 HydrophobicContact CE1-CD2 4.47Å; Y244-L248 HydrophobicContact CE1-CG 4.07Å; Y244-L248 WeakPolarHBondContact O-CG 2.99Å; Y244-L248 PolarHBondContact O-N 3.4Å; F245-L248 PolarHBondContact O-N 2.93Å; L248-L251 PolarHBondContact O-N 3.34Å; L248-N252 PolarHBondContact O-N 3.31Å; L248-N252 PolarHBondContact O-ND2 3.15Å |
| 249 | L | 93.6 | Very high | 92.1 | Very high | 81 Ų | 81 | 97 Ų | 97 | 42% | 0.424 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.7 | -44.8 | 178 | -174 | 150.8 | 0 | 0 | 0 | 111.3 | F245 T246 F247 L251 N252 L253 | F245-L249 HydrophobicContact CE1-CD1 4.2Å; F245-L249 WeakPolarHBondContact O-CB 3.46Å; F245-L249 PolarHBondContact O-N 3.04Å; T246-L249 PolarHBondContact O-N 3.24Å; F247-L249 VanDerWaalsContact C-N 3.31Å; F247-L249 PolarHBondContact O-N 2.95Å; L249-L251 VanDerWaalsContact C-N 3.31Å; L249-L251 PolarHBondContact O-N 3.16Å; L249-N252 PolarHBondContact O-N 3.06Å; L249-L253 HydrophobicContact CD2-CD1 3.44Å; L249-L253 VanDerWaalsContact CD2-CD1 3.44Å; L249-L253 HydrophobicContact CD2-CG 4.18Å; L249-L253 HydrophobicContact CG-CD1 4.48Å; L249-L253 WeakPolarHBondContact O-CG 3.39Å; L249-L253 PolarHBondContact O-N 3.45Å |
| 250 | L | 93.6 | Very high | 92.1 | Very high | 114 Ų | 114 | 102.2 Ų | 102.2 | 60% | 0.597 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.1 | -40.1 | 175.2 | -70.6 | 174.1 | 0 | 0 | 0 | 111.7 | T246 F247 L253 Y254 | T246-L250 WeakPolarHBondContact O-CG 3.47Å; T246-L250 PolarHBondContact O-N 3.38Å; F247-L250 PolarHBondContact O-N 2.96Å; L250-L253 PolarHBondContact O-N 3.42Å; L250-Y254 WeakPolarHBondContact O-CB 3.41Å; L250-Y254 PolarHBondContact O-N 3.1Å |
| 251 | L | 95.4 | Very high | 92.1 | Very high | 88 Ų | 88 | 100.1 Ų | 100.1 | 46% | 0.461 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 176.5 | -166.9 | 153.2 | 0 | 0 | 0 | 111.5 | F247 L248 L249 Y254 S255 | F247-L251 HydrophobicContact CE1-CD1 4.26Å; F247-L251 HydrophobicContact CZ-CD1 4.05Å; F247-L251 WeakPolarHBondContact O-CB 3.45Å; F247-L251 PolarHBondContact O-N 2.95Å; L248-L251 PolarHBondContact O-N 3.34Å; L249-L251 VanDerWaalsContact C-N 3.31Å; L249-L251 PolarHBondContact O-N 3.16Å; L251-Y254 PolarHBondContact O-N 3.25Å; L251-S255 WeakPolarHBondContact O-CB 3.36Å; L251-S255 PolarHBondContact O-N 3.37Å |
| 252 | N | 93.8 | Very high | 91.8 | Very high | 119 Ų | 119 | 104.4 Ų | 104.4 | 64% | 0.636 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -69.8 | -30.6 | 176.5 | -80 | -83.8 | 0 | 0 | 0 | 113.5 | L248 L249 | L248-N252 PolarHBondContact O-N 3.31Å; L248-N252 PolarHBondContact O-ND2 3.15Å; L249-N252 PolarHBondContact O-N 3.06Å |
| 253 | L | 92.8 | Very high | 91.6 | Very high | 134 Ų | 134 | 111.3 Ų | 111.3 | 70% | 0.702 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -76.1 | -26.1 | 176.3 | -76.2 | 175.4 | 0 | 0 | 0 | 113 | L249 L250 | L249-L253 HydrophobicContact CD2-CD1 3.44Å; L249-L253 VanDerWaalsContact CD2-CD1 3.44Å; L249-L253 HydrophobicContact CD2-CG 4.18Å; L249-L253 HydrophobicContact CG-CD1 4.48Å; L249-L253 WeakPolarHBondContact O-CG 3.39Å; L249-L253 PolarHBondContact O-N 3.45Å; L250-L253 PolarHBondContact O-N 3.42Å |
| 254 | Y | 86.2 | Confident | 91.4 | Very high | 220 Ų | 220 | 117.1 Ų | 117.1 | 86% | 0.863 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -102.7 | -9.9 | -177.5 | -160.8 | -93 | 0 | 0 | 0 | 113.3 | L250 L251 | L250-Y254 WeakPolarHBondContact O-CB 3.41Å; L250-Y254 PolarHBondContact O-N 3.1Å; L251-Y254 PolarHBondContact O-N 3.25Å |
| 255 | S | 70.3 | Confident | 91 | Very high | 143 Ų | 143 | 114.4 Ų | 114.4 | 100% | 1 | 58% | 0.581 | S | S | * | * | trans | -85.6 | 0 | 169.2 | -175.9 | 0 | 0 | 0 | 0 | 111.3 | L251 | L251-S255 WeakPolarHBondContact O-CB 3.36Å; L251-S255 PolarHBondContact O-N 3.37Å |
Retrieved 255 of 255 residues in 276.3 ms
(Link to these results)