| 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 | N | 40.7 | Very low | 34.4 | Very low | 219 Ų | 219 | 142.5 Ų | 142.5 | 100% | 1.171 | 86% | 0.856 | S | S | * | * | 0 | 115 | 0 | -77.2 | -3.3 | 0 | 0 | 0 | 109.4 | |||||
| 2 | S | 33.3 | Very low | 34.5 | Very low | 120 Ų | 120 | 144.1 Ų | 144.1 | 84% | 0.839 | 85% | 0.853 | S | S | * | * | trans | -70.3 | 131.9 | -164.4 | 36.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 3 | S | 38.4 | Very low | 34.2 | Very low | 123 Ų | 123 | 151.6 Ų | 151.6 | 86% | 0.86 | 86% | 0.858 | S | S | * | * | trans | -77.2 | 126.7 | 162.9 | -22.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 4 | C | 31.5 | Very low | 34.2 | Very low | 126 Ų | 126 | 147.7 Ų | 147.7 | 85% | 0.851 | 85% | 0.845 | S | S | * | * | trans | -142.3 | 146.3 | 164.7 | -124 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 5 | P | 37.6 | Very low | 34.5 | Very low | 115 Ų | 115 | 145.3 Ų | 145.3 | 75% | 0.747 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 156.2 | -153.1 | 35 | -32.9 | 0 | 0 | 0 | 114.2 | T7 | P5-T7 PolarHBondContact O-N 3.27Š|
| 6 | Q | 32.9 | Very low | 35.4 | Very low | 196 Ų | 196 | 144.3 Ų | 144.3 | 92% | 0.916 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -66 | 118.6 | 171.7 | -67.2 | 178.5 | -9.3 | 0 | 0 | 110.7 | ||
| 7 | T | 30.7 | Very low | 36.3 | Very low | 129 Ų | 129 | 144.1 Ų | 144.1 | 79% | 0.791 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -85 | 133.3 | 159.4 | 38.8 | 0 | 0 | 0 | 0 | 109.4 | P5 S9 | P5-T7 PolarHBondContact O-N 3.27Å; T7-S9 PolarHBondContact O-N 3.07Å |
| 8 | P | 33.2 | Very low | 37.6 | Very low | 125 Ų | 125 | 139.7 Ų | 139.7 | 81% | 0.812 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 119.9 | 175 | 19 | -12 | 0 | 0 | 0 | 109.3 | E10 | P8-E10 PolarHBondContact O-N 2.99Š|
| 9 | S | 31.6 | Very low | 39.6 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 119.6 | 169.3 | 50.7 | 0 | 0 | 0 | 0 | 109.8 | T7 | T7-S9 PolarHBondContact O-N 3.07Š|
| 10 | E | 33 | Very low | 41.2 | Very low | 178 Ų | 178 | 135.9 Ų | 135.9 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 139.7 | 168.5 | -71.3 | -176.1 | 149.6 | 0 | 0 | 110.1 | P8 I12 | P8-E10 PolarHBondContact O-N 2.99Å; E10-I12 PolarHBondContact O-N 3.33Å |
| 11 | P | 35.7 | Very low | 42.7 | Very low | 122 Ų | 122 | 132.9 Ų | 132.9 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 125.4 | 176.6 | 27.5 | -30.1 | 0 | 0 | 0 | 109.6 | R13 | P11-R13 PolarHBondContact O-N 2.9Š|
| 12 | I | 35.5 | Very low | 44.3 | Very low | 161 Ų | 161 | 124.1 Ų | 124.1 | 83% | 0.826 | 74% | 0.741 | S | S | * | * | trans | -48 | 108.5 | 168.1 | -65.7 | 163.1 | 0 | 0 | 0 | 108.2 | E10 S14 | E10-I12 PolarHBondContact O-N 3.33Å; I12-S14 PolarHBondContact O-N 3.05Å; I12-S14 VanDerWaalsContact O-N 3.11Å | ||
| 13 | R | 30.1 | Very low | 46.4 | Very low | 242 Ų | 242 | 122.3 Ų | 122.3 | 91% | 0.913 | 72% | 0.721 | S | S | * | * | trans | -67.8 | 109.1 | 177.6 | -162 | -177.6 | -84.2 | 169.9 | -6 | 107.7 | P11 | P11-R13 PolarHBondContact O-N 2.9Š| ||
| 14 | S | 34.6 | Very low | 48.2 | Very low | 97 Ų | 97 | 122.3 Ų | 122.3 | 68% | 0.678 | 71% | 0.709 | S | S | * | * | trans | -57.5 | 146.4 | 173.6 | -47.6 | 0 | 0 | 0 | 0 | 110.5 | I12 | I12-S14 PolarHBondContact O-N 3.05Å; I12-S14 VanDerWaalsContact O-N 3.11Å | ||
| 15 | P | 39.1 | Very low | 50.5 | Low | 112 Ų | 112 | 121.7 Ų | 121.7 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | trans | -62.7 | 141.1 | 177.4 | 26.6 | -32.3 | 0 | 0 | 0 | 109.4 | T17 | P15-T17 PolarHBondContact O-N 3.45Å; P15-T17 VanDerWaalsContact O-N 3.07Å | ||
| 16 | P | 48.1 | Very low | 52.4 | Low | 128 Ų | 128 | 117.3 Ų | 117.3 | 83% | 0.831 | 66% | 0.664 | S | S | * | * | trans | -67.6 | 113.6 | -176.4 | 27.5 | -31.7 | 0 | 0 | 0 | 109 | A18 | P16-A18 PolarHBondContact O-N 3.37Å; P16-A18 VanDerWaalsContact O-N 3.1Å | ||
| 17 | T | 51.1 | Low | 54.8 | Low | 142 Ų | 142 | 114.6 Ų | 114.6 | 87% | 0.871 | 65% | 0.651 | S | S | * | * | trans | -66.9 | 104 | 164.9 | 17.9 | 0 | 0 | 0 | 0 | 107.7 | P15 S19 | P15-T17 PolarHBondContact O-N 3.45Å; P15-T17 VanDerWaalsContact O-N 3.07Å; T17-S19 PolarHBondContact O-N 2.94Å | ||
| 18 | A | 59.7 | Low | 57.2 | Low | 65 Ų | 65 | 113 Ų | 113 | 54% | 0.537 | 64% | 0.638 | S | S | . | * | trans | -57.4 | 129.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | P16 L23 | P16-A18 PolarHBondContact O-N 3.37Å; P16-A18 VanDerWaalsContact O-N 3.1Å; A18-L23 HydrophobicContact CB-CD2 4.38Å; A18-L23 HydrophobicContact CB-CG 4.49Å | ||
| 19 | S | 76.1 | Confident | 59.5 | Low | 61 Ų | 61 | 107.8 Ų | 107.8 | 43% | 0.427 | 60% | 0.604 | S | S | . | * | trans | -66.4 | 148.3 | 177.7 | 62.1 | 0 | 0 | 0 | 0 | 111 | T17 S21 S22 L23 | T17-S19 PolarHBondContact O-N 2.94Å; S19-S21 PolarHBondContact O-N 3.5Å; S19-S21 VanDerWaalsContact O-N 3.15Å; S19-S21 PolarHBondContact OG-OG 2.98Å; S19-S22 WeakPolarHBondContact O-CA 3.45Å; S19-S22 WeakPolarHBondContact O-CB 3.49Å; S19-S22 PolarHBondContact O-N 3.48Å; S19-S22 WeakPolarHBondContact OG-CB 3.33Å; S19-S22 PolarHBondContact OG-N 3.41Å; S19-L23 PolarHBondContact O-N 3.05Å; S19-L23 VanDerWaalsContact O-N 3.15Å | ||
| 20 | L | 71.4 | Confident | 62.1 | Low | 142 Ų | 142 | 105.7 Ų | 105.7 | 74% | 0.743 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -53.3 | -34.9 | 175.4 | -73.6 | 170.1 | 0 | 0 | 0 | 112.4 | L23 M24 | L20-L23 PolarHBondContact O-N 3.05Å; L20-M24 WeakPolarHBondContact O-CG 3.34Å; L20-M24 PolarHBondContact O-N 3.2Å |
| 21 | S | 71.6 | Confident | 64.5 | Low | 72 Ų | 72 | 100.6 Ų | 100.6 | 50% | 0.503 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61.1 | -43.5 | 173.6 | 54.7 | 0 | 0 | 0 | 0 | 112.8 | S19 L23 M24 E25 | S19-S21 PolarHBondContact O-N 3.5Å; S19-S21 VanDerWaalsContact O-N 3.15Å; S19-S21 PolarHBondContact OG-OG 2.98Å; S21-L23 VanDerWaalsContact C-N 3.31Å; S21-L23 PolarHBondContact O-N 3.4Å; S21-M24 PolarHBondContact O-N 3Å; S21-E25 WeakPolarHBondContact O-CG 3.37Å; S21-E25 PolarHBondContact O-N 3.39Å |
| 22 | S | 74.8 | Confident | 67 | Low | 36 Ų | 36 | 98.7 Ų | 98.7 | 25% | 0.252 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.1 | -35.2 | 178.5 | -173.5 | 0 | 0 | 0 | 0 | 111.8 | S19 L26 | S19-S22 WeakPolarHBondContact O-CA 3.45Å; S19-S22 WeakPolarHBondContact O-CB 3.49Å; S19-S22 PolarHBondContact O-N 3.48Å; S19-S22 WeakPolarHBondContact OG-CB 3.33Å; S19-S22 PolarHBondContact OG-N 3.41Å; S22-L26 WeakPolarHBondContact O-CB 3.44Å; S22-L26 PolarHBondContact O-N 3.4Å |
| 23 | L | 77.1 | Confident | 69.5 | Low | 82 Ų | 82 | 91.4 Ų | 91.4 | 43% | 0.429 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.2 | -44.9 | 175.4 | -67.3 | 175.9 | 0 | 0 | 0 | 112.3 | A18 S19 L20 S21 E25 L26 E27 | A18-L23 HydrophobicContact CB-CD2 4.38Å; A18-L23 HydrophobicContact CB-CG 4.49Å; S19-L23 PolarHBondContact O-N 3.05Å; S19-L23 VanDerWaalsContact O-N 3.15Å; L20-L23 PolarHBondContact O-N 3.05Å; S21-L23 VanDerWaalsContact C-N 3.31Å; S21-L23 PolarHBondContact O-N 3.4Å; L23-E25 VanDerWaalsContact C-N 3.35Å; L23-E25 PolarHBondContact O-N 2.95Å; L23-L26 WeakPolarHBondContact O-CB 3.43Å; L23-L26 PolarHBondContact O-N 3.23Å; L23-E27 PolarHBondContact O-N 3.04Å |
| 24 | M | 76.1 | Confident | 72.2 | Confident | 123 Ų | 123 | 82.1 Ų | 82.1 | 61% | 0.606 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.3 | -40.3 | 175.8 | -69.6 | 178.4 | 73.1 | 0 | 0 | 112 | L20 S21 L26 E27 N28 | L20-M24 WeakPolarHBondContact O-CG 3.34Å; L20-M24 PolarHBondContact O-N 3.2Å; S21-M24 PolarHBondContact O-N 3Å; M24-L26 VanDerWaalsContact C-N 3.31Å; M24-L26 PolarHBondContact O-N 2.9Å; M24-E27 PolarHBondContact O-N 3.45Å; M24-N28 WeakPolarHBondContact O-CB 3.33Å; M24-N28 PolarHBondContact O-N 3.15Å; M24-N28 PolarHBondContact O-ND2 3.23Å |
| 25 | E | 80.1 | Confident | 74.8 | Confident | 112 Ų | 112 | 81.3 Ų | 81.3 | 52% | 0.523 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.1 | -39.9 | 173.7 | -76.1 | 176.5 | -166.9 | 0 | 0 | 112.3 | S21 L23 C29 K213 | S21-E25 WeakPolarHBondContact O-CG 3.37Å; S21-E25 PolarHBondContact O-N 3.39Å; L23-E25 VanDerWaalsContact C-N 3.35Å; L23-E25 PolarHBondContact O-N 2.95Å; E25-C29 WeakPolarHBondContact O-CB 3.38Å; E25-C29 PolarHBondContact O-N 3.48Å; E25-K213 IonicContact OE2-NZ 3.23Å; E25-K213 PolarHBondContact OE2-NZ 3.32Å |
| 26 | L | 78.5 | Confident | 77.1 | Confident | 23 Ų | 23 | 77.2 Ų | 77.2 | 12% | 0.12 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -65.8 | -45.2 | 178.2 | -177.8 | 62.7 | 0 | 0 | 0 | 111.1 | S22 L23 M24 N28 C29 V30 I210 K213 Q214 | S22-L26 WeakPolarHBondContact O-CB 3.44Å; S22-L26 PolarHBondContact O-N 3.4Å; L23-L26 WeakPolarHBondContact O-CB 3.43Å; L23-L26 PolarHBondContact O-N 3.23Å; M24-L26 VanDerWaalsContact C-N 3.31Å; M24-L26 PolarHBondContact O-N 2.9Å; L26-N28 PolarHBondContact O-N 3.46Å; L26-C29 WeakPolarHBondContact O-CB 3.49Å; L26-C29 PolarHBondContact O-N 3.46Å; L26-C29 VanDerWaalsContact O-N 3.11Å; L26-V30 WeakPolarHBondContact O-CG2 3.44Å; L26-V30 PolarHBondContact O-N 2.94Å; L26-I210 HydrophobicContact CD1-CB 4.36Å; L26-I210 HydrophobicContact CD1-CG1 3.98Å; L26-I210 HydrophobicContact CD1-CG2 4.16Å; L26-K213 HydrophobicContact CD1-CD 4.46Å; L26-Q214 HydrophobicContact CD2-CG 4.45Å; L26-Q214 VanDerWaalsContact CD2-NE2 3.32Å |
| 27 | E | 81.8 | Confident | 79.1 | Confident | 139 Ų | 139 | 71.1 Ų | 71.1 | 65% | 0.65 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -58.1 | -47.1 | 176 | -175 | 179.1 | -177.2 | 0 | 0 | 111.6 | L23 M24 C29 V30 S31 | L23-E27 PolarHBondContact O-N 3.04Å; M24-E27 PolarHBondContact O-N 3.45Å; E27-C29 VanDerWaalsContact C-N 3.28Å; E27-C29 PolarHBondContact O-N 2.81Å; E27-V30 PolarHBondContact O-N 2.95Å; E27-S31 WeakPolarHBondContact O-CB 3.42Å; E27-S31 PolarHBondContact O-N 3.5Å |
| 28 | N | 82.9 | Confident | 81 | Confident | 96 Ų | 96 | 66.2 Ų | 66.2 | 51% | 0.513 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.2 | -38.3 | 174.9 | -74.8 | -29.3 | 0 | 0 | 0 | 112.1 | M24 L26 N32 | M24-N28 WeakPolarHBondContact O-CB 3.33Å; M24-N28 PolarHBondContact O-N 3.15Å; M24-N28 PolarHBondContact O-ND2 3.23Å; L26-N28 PolarHBondContact O-N 3.46Å; N28-N32 VanDerWaalsContact O-CB 3.31Å; N28-N32 WeakPolarHBondContact O-CB 3.27Å; N28-N32 PolarHBondContact O-N 3.23Å; N28-N32 PolarHBondContact O-ND2 2.93Å |
| 29 | C | 81.3 | Confident | 82.3 | Confident | 15 Ų | 15 | 64.2 Ų | 64.2 | 10% | 0.101 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.9 | -45 | 177.9 | -147.3 | 0 | 0 | 0 | 0 | 111.5 | E25 L26 E27 L33 K206 | E25-C29 WeakPolarHBondContact O-CB 3.38Å; E25-C29 PolarHBondContact O-N 3.48Å; L26-C29 WeakPolarHBondContact O-CB 3.49Å; L26-C29 PolarHBondContact O-N 3.46Å; L26-C29 VanDerWaalsContact O-N 3.11Å; E27-C29 VanDerWaalsContact C-N 3.28Å; E27-C29 PolarHBondContact O-N 2.81Å; C29-L33 VanDerWaalsContact O-CB 3.25Å; C29-L33 WeakPolarHBondContact O-CB 2.96Å; C29-L33 PolarHBondContact O-N 2.97Å; C29-K206 WeakPolarHBondContact SG-CD 3.35Å |
| 30 | V | 84.5 | Confident | 82.8 | Confident | 72 Ų | 72 | 62.2 Ų | 62.2 | 44% | 0.436 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.3 | -43.8 | 177.3 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | L26 E27 L33 S34 I210 | L26-V30 WeakPolarHBondContact O-CG2 3.44Å; L26-V30 PolarHBondContact O-N 2.94Å; E27-V30 PolarHBondContact O-N 2.95Å; V30-L33 PolarHBondContact O-N 3.27Å; V30-S34 WeakPolarHBondContact O-CB 3.12Å; V30-S34 PolarHBondContact O-N 3.23Å; V30-I210 HydrophobicContact CG2-CD1 3.92Å; V30-I210 HydrophobicContact CG2-CG1 4.47Å |
| 31 | S | 85.5 | Confident | 83.5 | Confident | 70 Ų | 70 | 57.4 Ų | 57.4 | 49% | 0.49 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.1 | -47.9 | 178.4 | -175.3 | 0 | 0 | 0 | 0 | 111.9 | E27 L33 S34 L35 | E27-S31 WeakPolarHBondContact O-CB 3.42Å; E27-S31 PolarHBondContact O-N 3.5Å; S31-L33 VanDerWaalsContact C-N 3.34Å; S31-L33 PolarHBondContact O-N 3.49Å; S31-S34 PolarHBondContact O-N 3.46Å; S31-L35 WeakPolarHBondContact O-CB 3.48Å; S31-L35 PolarHBondContact O-N 2.99Å |
| 32 | N | 86.7 | Confident | 84.2 | Confident | 83 Ų | 83 | 56.6 Ų | 56.6 | 44% | 0.444 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.1 | -35.7 | 177.8 | -71.9 | -25.4 | 0 | 0 | 0 | 112.6 | N28 A36 | N28-N32 VanDerWaalsContact O-CB 3.31Å; N28-N32 WeakPolarHBondContact O-CB 3.27Å; N28-N32 PolarHBondContact O-N 3.23Å; N28-N32 PolarHBondContact O-ND2 2.93Å; N32-A36 WeakPolarHBondContact O-CB 3.24Å; N32-A36 PolarHBondContact O-N 3.47Å |
| 33 | L | 88.1 | Confident | 84.4 | Confident | 7 Ų | 7 | 56.9 Ų | 56.9 | 4% | 0.037 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.3 | -49 | 175 | 176.8 | 57.9 | 0 | 0 | 0 | 110.9 | C29 V30 S31 L35 A36 H37 E203 K206 I210 M280 | C29-L33 VanDerWaalsContact O-CB 3.25Å; C29-L33 WeakPolarHBondContact O-CB 2.96Å; C29-L33 PolarHBondContact O-N 2.97Å; V30-L33 PolarHBondContact O-N 3.27Å; S31-L33 VanDerWaalsContact C-N 3.34Å; S31-L33 PolarHBondContact O-N 3.49Å; L33-L35 PolarHBondContact O-N 3.48Å; L33-A36 PolarHBondContact O-N 2.96Å; L33-H37 WeakPolarHBondContact O-CB 3.41Å; L33-H37 PolarHBondContact O-N 3.23Å; L33-E203 HydrophobicContact CD1-CB 3.9Å; L33-E203 HydrophobicContact CD1-CG 3.69Å; L33-K206 HydrophobicContact CD1-CB 4Å; L33-K206 HydrophobicContact CD2-CB 4.29Å; L33-I210 HydrophobicContact CD2-CD1 3.84Å; L33-M280 HydrophobicContact CD2-SD 4.43Å; L33-M280 HydrophobicContact CG-CE 4.41Å; L33-M280 HydrophobicContact CG-SD 3.89Å |
| 34 | S | 87.9 | Confident | 84.7 | Confident | 48 Ų | 48 | 59.8 Ų | 59.8 | 34% | 0.336 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.2 | -46.2 | 177 | -178.6 | 0 | 0 | 0 | 0 | 111.6 | V30 S31 A36 H37 E38 | V30-S34 WeakPolarHBondContact O-CB 3.12Å; V30-S34 PolarHBondContact O-N 3.23Å; S31-S34 PolarHBondContact O-N 3.46Å; S34-A36 PolarHBondContact O-N 3.3Å; S34-H37 WeakPolarHBondContact O-CB 3.34Å; S34-H37 PolarHBondContact O-N 3.44Å; S34-E38 WeakPolarHBondContact O-CG 3.4Å; S34-E38 PolarHBondContact O-N 3.08Å |
| 35 | L | 87.7 | Confident | 85.1 | Confident | 80 Ų | 80 | 55.4 Ų | 55.4 | 42% | 0.419 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.3 | -45 | 177.3 | 179.5 | 62.1 | 0 | 0 | 0 | 112.6 | S31 L33 H37 E38 I39 F45 | S31-L35 WeakPolarHBondContact O-CB 3.48Å; S31-L35 PolarHBondContact O-N 2.99Å; L33-L35 PolarHBondContact O-N 3.48Å; L35-H37 VanDerWaalsContact C-N 3.32Å; L35-H37 PolarHBondContact O-N 3.23Å; L35-E38 PolarHBondContact O-N 3.2Å; L35-I39 HydrophobicContact CD1-CD1 4.17Å; L35-I39 HydrophobicContact CD1-CG1 4.44Å; L35-I39 HydrophobicContact CG-CD1 4.03Å; L35-I39 VanDerWaalsContact O-CG1 3.31Å; L35-I39 WeakPolarHBondContact O-CG1 3.49Å; L35-I39 PolarHBondContact O-N 3.33Å; L35-F45 HydrophobicContact CD1-CE1 4.34Å; L35-F45 HydrophobicContact CD1-CE2 4.34Å; L35-F45 HydrophobicContact CD1-CZ 3.63Å |
| 36 | A | 87.7 | Confident | 85.2 | Confident | 25 Ų | 25 | 52.7 Ų | 52.7 | 21% | 0.207 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | N32 L33 S34 I39 V40 Y202 | N32-A36 WeakPolarHBondContact O-CB 3.24Å; N32-A36 PolarHBondContact O-N 3.47Å; L33-A36 PolarHBondContact O-N 2.96Å; S34-A36 PolarHBondContact O-N 3.3Å; A36-I39 PolarHBondContact O-N 3.16Å; A36-V40 WeakPolarHBondContact O-CB 3.27Å; A36-V40 WeakPolarHBondContact O-CG2 3.44Å; A36-V40 PolarHBondContact O-N 3.43Å; A36-Y202 HydrophobicContact CB-CD1 4.04Å; A36-Y202 HydrophobicContact CB-CE1 3.53Å |
| 37 | H | 91 | Very high | 85.4 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.4 | -46 | 175.3 | -178.8 | 87.3 | 0 | 0 | 0 | 111.5 | L33 S34 L35 I39 V40 V41 E203 M280 D281 R284 F441 | L33-H37 WeakPolarHBondContact O-CB 3.41Å; L33-H37 PolarHBondContact O-N 3.23Å; S34-H37 WeakPolarHBondContact O-CB 3.34Å; S34-H37 PolarHBondContact O-N 3.44Å; L35-H37 VanDerWaalsContact C-N 3.32Å; L35-H37 PolarHBondContact O-N 3.23Å; H37-I39 PolarHBondContact O-N 3.39Å; H37-V40 PolarHBondContact O-N 3.23Å; H37-V41 WeakPolarHBondContact O-CB 3.39Å; H37-V41 WeakPolarHBondContact O-CG2 3.41Å; H37-V41 PolarHBondContact O-N 3.35Å; H37-E203 WeakPolarHBondContact CA-OE1 3.32Å; H37-E203 WeakPolarHBondContact CB-OE1 3.44Å; H37-E203 IonicContact CG-OE1 2.68Å; H37-E203 IonicContact ND1-OE1 3.19Å; H37-E203 PolarHBondContact ND1-OE1 3.46Å; H37-E203 IonicContact ND1-OE2 3.53Å; H37-E203 PolarHBondContact ND1-OE2 2.92Å; H37-M280 HydrophobicContact CB-CE 4.11Å; H37-M280 HydrophobicContact CB-SD 3.68Å; H37-D281 IonicContact CE1-OD1 3.57Å; H37-D281 IonicContact CE1-OD2 2.69Å; H37-D281 PolarHBondContact CE1-OD2 3.01Å; H37-D281 IonicContact NE2-OD1 3.02Å; H37-D281 PolarHBondContact NE2-OD1 3.39Å; H37-D281 IonicContact NE2-OD2 3.36Å; H37-D281 PolarHBondContact NE2-OD2 3.49Å; H37-R284 PolarHBondContact CD2-NH2 2.69Å; H37-R284 VanDerWaalsContact CD2-NH2 3.29Å; H37-R284 PolarHBondContact NE2-NH2 3.32Å; H37-F441 AromaticContact CE1-CE1 3.91Å; H37-F441 AromaticContact ND1-CE1 3.7Å |
| 38 | E | 90.4 | Very high | 85.1 | Confident | 39 Ų | 39 | 56.9 Ų | 56.9 | 18% | 0.182 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.3 | -44.5 | 176 | -75.2 | -54.7 | 125 | 0 | 0 | 112.5 | S34 L35 V40 N42 F45 R284 | S34-E38 WeakPolarHBondContact O-CG 3.4Å; S34-E38 PolarHBondContact O-N 3.08Å; L35-E38 PolarHBondContact O-N 3.2Å; E38-V40 PolarHBondContact O-N 3.47Å; E38-N42 VanDerWaalsContact O-CB 3.25Å; E38-N42 WeakPolarHBondContact O-CB 3.49Å; E38-N42 PolarHBondContact O-N 3.01Å; E38-F45 HydrophobicContact CB-CD2 3.8Å; E38-F45 HydrophobicContact CB-CE2 3.83Å; E38-R284 IonicContact OE1-CZ 2.76Å; E38-R284 IonicContact OE1-NH1 3.6Å; E38-R284 PolarHBondContact OE1-NH1 3.39Å; E38-R284 IonicContact OE1-NH2 3.69Å; E38-R284 PolarHBondContact OE1-NH2 2.92Å; E38-R284 IonicContact OE2-CZ 2.64Å; E38-R284 IonicContact OE2-NH1 4Å; E38-R284 PolarHBondContact OE2-NH1 2.93Å |
| 39 | I | 87.4 | Confident | 84.4 | Confident | 22 Ų | 22 | 56.2 Ų | 56.2 | 11% | 0.113 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.9 | -34.8 | 179.3 | -69.9 | 164.4 | 0 | 0 | 0 | 111.8 | L35 A36 H37 F45 I188 R192 L195 | L35-I39 HydrophobicContact CD1-CD1 4.17Å; L35-I39 HydrophobicContact CD1-CG1 4.44Å; L35-I39 HydrophobicContact CG-CD1 4.03Å; L35-I39 VanDerWaalsContact O-CG1 3.31Å; L35-I39 WeakPolarHBondContact O-CG1 3.49Å; L35-I39 PolarHBondContact O-N 3.33Å; A36-I39 PolarHBondContact O-N 3.16Å; H37-I39 PolarHBondContact O-N 3.39Å; I39-F45 HydrophobicContact CD1-CE1 4.42Å; I39-F45 HydrophobicContact CG1-CD1 3.73Å; I39-F45 HydrophobicContact CG1-CE1 3.64Å; I39-F45 HydrophobicContact CG1-CG 4.4Å; I39-F45 HydrophobicContact CG1-CZ 4.24Å; I39-I188 HydrophobicContact CG1-CG2 4.31Å; I39-I188 HydrophobicContact CG2-CG2 3.8Å; I39-R192 PolarHBondContact O-NE 2.76Å; I39-L195 HydrophobicContact CG2-CD1 3.56Å |
| 40 | V | 86.4 | Confident | 83.4 | Confident | 19 Ų | 19 | 65.6 Ų | 65.6 | 12% | 0.115 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -83.3 | -47.4 | -175.3 | 163 | 0 | 0 | 0 | 0 | 112.2 | A36 H37 E38 L195 L196 A199 F441 | A36-V40 WeakPolarHBondContact O-CB 3.27Å; A36-V40 WeakPolarHBondContact O-CG2 3.44Å; A36-V40 PolarHBondContact O-N 3.43Å; H37-V40 PolarHBondContact O-N 3.23Å; E38-V40 PolarHBondContact O-N 3.47Å; V40-L195 HydrophobicContact CG2-CB 4.29Å; V40-L196 HydrophobicContact CG1-CD2 3.66Å; V40-A199 HydrophobicContact CB-CB 4.39Å; V40-A199 HydrophobicContact CG1-CB 3.84Å; V40-A199 HydrophobicContact CG2-CB 3.76Å; V40-F441 HydrophobicContact CG1-CE2 3.87Å; V40-F441 HydrophobicContact CG1-CZ 3.81Å |
| 41 | V | 86.1 | Confident | 82.1 | Confident | 42 Ų | 42 | 67 Ų | 67 | 26% | 0.255 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -85.5 | -36.1 | -172.4 | 177 | 0 | 0 | 0 | 0 | 111.7 | H37 G43 F441 | H37-V41 WeakPolarHBondContact O-CB 3.39Å; H37-V41 WeakPolarHBondContact O-CG2 3.41Å; H37-V41 PolarHBondContact O-N 3.35Å; V41-G43 PolarHBondContact O-N 3.23Å; V41-F441 HydrophobicContact CG2-CD1 3.83Å; V41-F441 HydrophobicContact CG2-CE1 3.86Å; V41-F441 HydrophobicContact CG2-CG 4.41Å; V41-F441 HydrophobicContact CG2-CZ 4.45Å |
| 42 | N | 85.6 | Confident | 80.8 | Confident | 54 Ų | 54 | 66.1 Ų | 66.1 | 29% | 0.289 | 37% | 0.369 | S | S | . | . | trans | -92.6 | 102.3 | 179.2 | -176.2 | 0.8 | 0 | 0 | 0 | 110.9 | E38 D44 F45 R192 | E38-N42 VanDerWaalsContact O-CB 3.25Å; E38-N42 WeakPolarHBondContact O-CB 3.49Å; E38-N42 PolarHBondContact O-N 3.01Å; N42-D44 PolarHBondContact O-N 3.27Å; N42-D44 PolarHBondContact OD1-N 3.11Å; N42-F45 HydrophobicContact CB-CB 4.12Å; N42-F45 WeakPolarHBondContact O-CB 3.5Å; N42-F45 PolarHBondContact O-N 3.4Å; N42-F45 VanDerWaalsContact O-N 3.07Å; N42-F45 PolarHBondContact OD1-N 3.38Å; N42-R192 PolarHBondContact O-NH2 3.39Å | ||
| 43 | G | 79.9 | Confident | 79.8 | Confident | 43 Ų | 43 | 66.6 Ų | 66.6 | 44% | 0.443 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -29.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | V41 F45 R192 | V41-G43 PolarHBondContact O-N 3.23Å; G43-F45 VanDerWaalsContact C-N 3.32Å; G43-R192 VanDerWaalsContact O-CZ 3.24Å; G43-R192 PolarHBondContact O-NH1 3.07Å; G43-R192 PolarHBondContact O-NH2 3.24Å; G43-R192 VanDerWaalsContact O-NH2 3.15Å |
| 44 | D | 82.9 | Confident | 78.2 | Confident | 142 Ų | 142 | 73 Ų | 73 | 76% | 0.759 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | 9.1 | -179.1 | -56.8 | -42.1 | 0 | 0 | 0 | 112.3 | N42 C46 | N42-D44 PolarHBondContact O-N 3.27Å; N42-D44 PolarHBondContact OD1-N 3.11Å; D44-C46 PolarHBondContact O-N 2.98Å; D44-C46 VanDerWaalsContact O-N 3.1Å; D44-C46 PolarHBondContact O-SG 3.48Å; D44-C46 VanDerWaalsContact O-SG 3.36Å |
| 45 | F | 85.4 | Confident | 77 | Confident | 32 Ų | 32 | 78 Ų | 78 | 14% | 0.14 | 44% | 0.439 | C | S | . | . | trans | -55.5 | 121.1 | 178.9 | -177.3 | -92.4 | 0 | 0 | 0 | 110.7 | L35 E38 I39 N42 G43 I47 I188 | L35-F45 HydrophobicContact CD1-CE1 4.34Å; L35-F45 HydrophobicContact CD1-CE2 4.34Å; L35-F45 HydrophobicContact CD1-CZ 3.63Å; E38-F45 HydrophobicContact CB-CD2 3.8Å; E38-F45 HydrophobicContact CB-CE2 3.83Å; I39-F45 HydrophobicContact CD1-CE1 4.42Å; I39-F45 HydrophobicContact CG1-CD1 3.73Å; I39-F45 HydrophobicContact CG1-CE1 3.64Å; I39-F45 HydrophobicContact CG1-CG 4.4Å; I39-F45 HydrophobicContact CG1-CZ 4.24Å; N42-F45 HydrophobicContact CB-CB 4.12Å; N42-F45 WeakPolarHBondContact O-CB 3.5Å; N42-F45 PolarHBondContact O-N 3.4Å; N42-F45 VanDerWaalsContact O-N 3.07Å; N42-F45 PolarHBondContact OD1-N 3.38Å; G43-F45 VanDerWaalsContact C-N 3.32Å; F45-I47 HydrophobicContact CE1-CG1 4Å; F45-I47 HydrophobicContact CZ-CG1 4.28Å; F45-I188 HydrophobicContact CD1-CG2 4.28Å; F45-I188 HydrophobicContact CE1-CD1 4.17Å | ||
| 46 | C | 81.3 | Confident | 76.6 | Confident | 54 Ų | 54 | 75.3 Ų | 75.3 | 37% | 0.365 | 43% | 0.428 | S | S | . | . | trans | -138.6 | 136.1 | 175.5 | -63.6 | 0 | 0 | 0 | 0 | 108.4 | D44 K48 N185 | D44-C46 PolarHBondContact O-N 2.98Å; D44-C46 VanDerWaalsContact O-N 3.1Å; D44-C46 PolarHBondContact O-SG 3.48Å; D44-C46 VanDerWaalsContact O-SG 3.36Å; C46-K48 PolarHBondContact O-N 2.88Å; C46-N185 WeakPolarHBondContact CA-OD1 3.42Å | ||
| 47 | I | 82.3 | Confident | 76.1 | Confident | 77 Ų | 77 | 80.6 Ų | 80.6 | 40% | 0.395 | 45% | 0.451 | S | S | . | . | trans | -70.8 | 115.4 | 167.8 | -63.2 | -175.9 | 0 | 0 | 0 | 106.9 | F45 S181 V184 N185 I188 | F45-I47 HydrophobicContact CE1-CG1 4Å; F45-I47 HydrophobicContact CZ-CG1 4.28Å; I47-S181 PolarHBondContact O-OG 3.49Å; I47-V184 HydrophobicContact CD1-CG1 3.68Å; I47-V184 HydrophobicContact CG1-CG1 4.45Å; I47-N185 PolarHBondContact N-OD1 3.2Å; I47-N185 PolarHBondContact O-ND2 3.29Å; I47-N185 VanDerWaalsContact O-ND2 3.11Å; I47-I188 HydrophobicContact CD1-CD1 3.7Å; I47-I188 HydrophobicContact CG1-CD1 3.94Å | ||
| 48 | K | 77.1 | Confident | 75.4 | Confident | 173 Ų | 173 | 87 Ų | 87 | 75% | 0.752 | 48% | 0.481 | S | S | * | . | trans | -85.2 | 141.4 | 172.9 | -65.7 | -175 | -179.4 | -179.7 | 0 | 109 | C46 K50 | C46-K48 PolarHBondContact O-N 2.88Å; K48-K50 PolarHBondContact O-N 2.84Å | ||
| 49 | P | 67 | Low | 74.8 | Confident | 82 Ų | 82 | 85.4 Ų | 85.4 | 53% | 0.532 | 48% | 0.476 | S | S | . | . | trans | -53.9 | 132.4 | 167.7 | -21.2 | 31.5 | 0 | 0 | 0 | 109.2 | S51 | P49-S51 PolarHBondContact O-N 3.33Š| ||
| 50 | K | 60.3 | Low | 74.4 | Confident | 212 Ų | 212 | 91.5 Ų | 91.5 | 92% | 0.922 | 50% | 0.497 | S | S | * | . | trans | -69.4 | 102.3 | 173.7 | -68.8 | -178.6 | 179.4 | -178.5 | 0 | 107.8 | K48 | K48-K50 PolarHBondContact O-N 2.84Š| ||
| 51 | S | 57.8 | Low | 74.1 | Confident | 102 Ų | 102 | 94.4 Ų | 94.4 | 71% | 0.713 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -99.3 | 127.7 | 162.2 | 56.1 | 0 | 0 | 0 | 0 | 107.9 | P49 | P49-S51 PolarHBondContact O-N 3.33Š|
| 52 | P | 58.2 | Low | 73.7 | Confident | 51 Ų | 51 | 94.5 Ų | 94.5 | 33% | 0.331 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 148.8 | 169.9 | 22.3 | -29.2 | 0 | 0 | 0 | 109.5 | T54 G59 | P52-T54 PolarHBondContact O-N 3.15Å; P52-G59 VanDerWaalsContact CG-CA 3.49Å |
| 53 | P | 65.7 | Low | 73.7 | Confident | 94 Ų | 94 | 96.7 Ų | 96.7 | 61% | 0.61 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 139.5 | 177.1 | -20.8 | 29.7 | 0 | 0 | 0 | 110.7 | D55 S56 | P53-D55 PolarHBondContact O-N 2.84Å; P53-S56 WeakPolarHBondContact O-CB 3.5Å; P53-S56 PolarHBondContact O-N 2.77Å; P53-S56 PolarHBondContact O-OG 3.01Å |
| 54 | T | 53.8 | Low | 73.9 | Confident | 140 Ų | 140 | 99.9 Ų | 99.9 | 86% | 0.859 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 129.4 | 174 | -39.6 | 0 | 0 | 0 | 0 | 109.1 | P52 | P52-T54 PolarHBondContact O-N 3.15Š|
| 55 | D | 62.3 | Low | 73.9 | Confident | 153 Ų | 153 | 98.1 Ų | 98.1 | 82% | 0.818 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | 13.1 | -173.9 | -66.1 | -34.3 | 0 | 0 | 0 | 118 | P53 | P53-D55 PolarHBondContact O-N 2.84Š|
| 56 | S | 80.3 | Confident | 74 | Confident | 25 Ų | 25 | 101.5 Ų | 101.5 | 18% | 0.175 | 54% | 0.539 | C | S | . | . | trans | -71.7 | 147.7 | 170 | 82.5 | 0 | 0 | 0 | 0 | 111.8 | P53 E58 G59 R60 | P53-S56 WeakPolarHBondContact O-CB 3.5Å; P53-S56 PolarHBondContact O-N 2.77Å; P53-S56 PolarHBondContact O-OG 3.01Å; S56-E58 PolarHBondContact O-N 2.9Å; S56-G59 PolarHBondContact O-N 3.49Å; S56-G59 PolarHBondContact OG-N 3.2Å; S56-R60 PolarHBondContact O-N 3.45Å | ||
| 57 | L | 76.6 | Confident | 74.3 | Confident | 135 Ų | 135 | 104.2 Ų | 104.2 | 71% | 0.707 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -57.9 | -40 | 172.5 | -73.7 | 170.2 | 0 | 0 | 0 | 111.3 | R60 V61 | L57-R60 PolarHBondContact O-N 3.47Å; L57-V61 WeakPolarHBondContact O-CB 3.45Å; L57-V61 VanDerWaalsContact O-CG2 3.23Å; L57-V61 WeakPolarHBondContact O-CG2 3.43Å; L57-V61 PolarHBondContact O-N 3.28Å |
| 58 | E | 77 | Confident | 74.6 | Confident | 135 Ų | 135 | 103.2 Ų | 103.2 | 63% | 0.631 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -59.8 | -44.7 | 175.7 | -176.9 | -177.9 | -169.7 | 0 | 0 | 111.6 | S56 V61 T62 | S56-E58 PolarHBondContact O-N 2.9Å; E58-V61 PolarHBondContact O-N 3.27Å; E58-T62 VanDerWaalsContact O-CB 3.3Å; E58-T62 WeakPolarHBondContact O-CB 3.42Å; E58-T62 PolarHBondContact O-N 2.97Å; E58-T62 PolarHBondContact O-OG1 3.09Å |
| 59 | G | 78.5 | Confident | 75.3 | Confident | 6 Ų | 6 | 98.2 Ų | 98.2 | 6% | 0.062 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -61.4 | -49.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | P52 S56 V61 T62 D63 | P52-G59 VanDerWaalsContact CG-CA 3.49Å; S56-G59 PolarHBondContact O-N 3.49Å; S56-G59 PolarHBondContact OG-N 3.2Å; G59-V61 PolarHBondContact O-N 2.99Å; G59-T62 PolarHBondContact O-N 3.37Å; G59-D63 WeakPolarHBondContact O-CB 3.29Å; G59-D63 PolarHBondContact O-N 2.98Å |
| 60 | R | 78.6 | Confident | 76.5 | Confident | 150 Ų | 150 | 95.8 Ų | 95.8 | 57% | 0.566 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60 | -43 | 177.7 | -68.7 | -180 | 62.3 | -161.4 | -3.1 | 112.8 | S56 L57 D63 I64 | S56-R60 PolarHBondContact O-N 3.45Å; L57-R60 PolarHBondContact O-N 3.47Å; R60-D63 PolarHBondContact O-N 3.46Å; R60-I64 WeakPolarHBondContact O-CB 3.45Å; R60-I64 WeakPolarHBondContact O-CD1 3.47Å; R60-I64 WeakPolarHBondContact O-CG1 3.45Å; R60-I64 PolarHBondContact O-N 3.05Å |
| 61 | V | 78.9 | Confident | 78 | Confident | 81 Ų | 81 | 90.1 Ų | 90.1 | 49% | 0.491 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.6 | -44.2 | 177.5 | 169.3 | 0 | 0 | 0 | 0 | 110.5 | L57 E58 G59 D63 I64 I65 | L57-V61 WeakPolarHBondContact O-CB 3.45Å; L57-V61 VanDerWaalsContact O-CG2 3.23Å; L57-V61 WeakPolarHBondContact O-CG2 3.43Å; L57-V61 PolarHBondContact O-N 3.28Å; E58-V61 PolarHBondContact O-N 3.27Å; G59-V61 PolarHBondContact O-N 2.99Å; V61-D63 PolarHBondContact O-N 3.25Å; V61-I64 PolarHBondContact O-N 3.43Å; V61-I65 HydrophobicContact CG1-CD1 3.75Å; V61-I65 VanDerWaalsContact O-CG1 3.26Å; V61-I65 WeakPolarHBondContact O-CG1 3.39Å; V61-I65 PolarHBondContact O-N 3.49Å |
| 62 | T | 79.2 | Confident | 79.6 | Confident | 44 Ų | 44 | 87.8 Ų | 87.8 | 27% | 0.27 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 177.9 | -55.9 | 0 | 0 | 0 | 0 | 111.3 | E58 G59 I65 H66 | E58-T62 VanDerWaalsContact O-CB 3.3Å; E58-T62 WeakPolarHBondContact O-CB 3.42Å; E58-T62 PolarHBondContact O-N 2.97Å; E58-T62 PolarHBondContact O-OG1 3.09Å; G59-T62 PolarHBondContact O-N 3.37Å; T62-I65 PolarHBondContact O-N 3.09Å; T62-H66 VanDerWaalsContact CG2-CE1 3.44Å; T62-H66 WeakPolarHBondContact CG2-CE1 3.37Å; T62-H66 WeakPolarHBondContact O-CB 3.22Å; T62-H66 VanDerWaalsContact O-CG 3.29Å; T62-H66 PolarHBondContact O-N 3.44Å |
| 63 | D | 83.8 | Confident | 81.2 | Confident | 99 Ų | 99 | 85.4 Ų | 85.4 | 53% | 0.529 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.8 | -43.2 | 178.8 | -69.2 | -23 | 0 | 0 | 0 | 111.8 | G59 R60 V61 I65 H66 Q67 | G59-D63 WeakPolarHBondContact O-CB 3.29Å; G59-D63 PolarHBondContact O-N 2.98Å; R60-D63 PolarHBondContact O-N 3.46Å; V61-D63 PolarHBondContact O-N 3.25Å; D63-I65 PolarHBondContact O-N 3.5Å; D63-H66 PolarHBondContact O-N 3.36Å; D63-Q67 VanDerWaalsContact O-CB 3.25Å; D63-Q67 WeakPolarHBondContact O-CB 3.48Å; D63-Q67 PolarHBondContact O-N 3.15Å |
| 64 | I | 85.8 | Confident | 82.5 | Confident | 111 Ų | 111 | 84.1 Ų | 84.1 | 57% | 0.569 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -61.5 | -44.3 | 176 | -69.9 | 164.5 | 0 | 0 | 0 | 110.8 | R60 V61 Q67 A68 | R60-I64 WeakPolarHBondContact O-CB 3.45Å; R60-I64 WeakPolarHBondContact O-CD1 3.47Å; R60-I64 WeakPolarHBondContact O-CG1 3.45Å; R60-I64 PolarHBondContact O-N 3.05Å; V61-I64 PolarHBondContact O-N 3.43Å; I64-Q67 PolarHBondContact O-N 3.3Å; I64-A68 WeakPolarHBondContact O-CB 3.45Å; I64-A68 PolarHBondContact O-N 2.79Å |
| 65 | I | 83.2 | Confident | 84.3 | Confident | 104 Ų | 104 | 84.4 Ų | 84.4 | 53% | 0.533 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.4 | -47.4 | 178.8 | -69.2 | 167.3 | 0 | 0 | 0 | 110.6 | V61 T62 D63 Q67 A68 F69 | V61-I65 HydrophobicContact CG1-CD1 3.75Å; V61-I65 VanDerWaalsContact O-CG1 3.26Å; V61-I65 WeakPolarHBondContact O-CG1 3.39Å; V61-I65 PolarHBondContact O-N 3.49Å; T62-I65 PolarHBondContact O-N 3.09Å; D63-I65 PolarHBondContact O-N 3.5Å; I65-Q67 VanDerWaalsContact C-N 3.32Å; I65-Q67 PolarHBondContact O-N 2.83Å; I65-A68 PolarHBondContact O-N 3Å; I65-F69 WeakPolarHBondContact O-CB 3.5Å; I65-F69 PolarHBondContact O-N 3.39Å |
| 66 | H | 86.1 | Confident | 85.6 | Confident | 104 Ų | 104 | 79.3 Ų | 79.3 | 48% | 0.481 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.6 | -39.9 | 177.8 | -72 | 171.2 | 0 | 0 | 0 | 111.8 | T62 D63 F69 W70 | T62-H66 VanDerWaalsContact CG2-CE1 3.44Å; T62-H66 WeakPolarHBondContact CG2-CE1 3.37Å; T62-H66 WeakPolarHBondContact O-CB 3.22Å; T62-H66 VanDerWaalsContact O-CG 3.29Å; T62-H66 PolarHBondContact O-N 3.44Å; D63-H66 PolarHBondContact O-N 3.36Å; H66-F69 WeakPolarHBondContact O-CB 3.42Å; H66-F69 PolarHBondContact O-N 2.86Å; H66-W70 PolarHBondContact O-N 2.92Å; H66-W70 VanDerWaalsContact O-N 3.16Å |
| 67 | Q | 89.1 | Confident | 86.1 | Confident | 110 Ų | 110 | 79.3 Ų | 79.3 | 51% | 0.514 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.9 | -48.7 | 177.6 | -175 | 133.1 | 1.6 | 0 | 0 | 111.5 | D63 I64 I65 F69 W70 D71 | D63-Q67 VanDerWaalsContact O-CB 3.25Å; D63-Q67 WeakPolarHBondContact O-CB 3.48Å; D63-Q67 PolarHBondContact O-N 3.15Å; I64-Q67 PolarHBondContact O-N 3.3Å; I65-Q67 VanDerWaalsContact C-N 3.32Å; I65-Q67 PolarHBondContact O-N 2.83Å; Q67-F69 PolarHBondContact O-N 3.11Å; Q67-W70 PolarHBondContact O-N 3.23Å; Q67-W70 VanDerWaalsContact O-N 3.08Å; Q67-D71 WeakPolarHBondContact O-CB 3.48Å; Q67-D71 VanDerWaalsContact O-CG 3.22Å; Q67-D71 PolarHBondContact O-N 3.22Å |
| 68 | A | 88.4 | Confident | 86.7 | Confident | 56 Ų | 56 | 76.8 Ų | 76.8 | 46% | 0.463 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -57.7 | -35.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I64 I65 S72 | I64-A68 WeakPolarHBondContact O-CB 3.45Å; I64-A68 PolarHBondContact O-N 2.79Å; I65-A68 PolarHBondContact O-N 3Å; A68-S72 WeakPolarHBondContact O-CB 3.37Å; A68-S72 PolarHBondContact O-N 2.98Å |
| 69 | F | 90.8 | Very high | 87.3 | Confident | 69 Ų | 69 | 72.8 Ų | 72.8 | 30% | 0.303 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.1 | -50.6 | 173.6 | 173.6 | -91.8 | 0 | 0 | 0 | 112.5 | I65 H66 Q67 S72 L73 Q86 L90 | I65-F69 WeakPolarHBondContact O-CB 3.5Å; I65-F69 PolarHBondContact O-N 3.39Å; H66-F69 WeakPolarHBondContact O-CB 3.42Å; H66-F69 PolarHBondContact O-N 2.86Å; Q67-F69 PolarHBondContact O-N 3.11Å; F69-S72 PolarHBondContact O-N 3.05Å; F69-L73 PolarHBondContact O-N 3.11Å; F69-Q86 HydrophobicContact CE2-CG 3.99Å; F69-Q86 HydrophobicContact CZ-CG 3.96Å; F69-L90 HydrophobicContact CE1-CD1 4.21Å; F69-L90 HydrophobicContact CE1-CD2 4.16Å; F69-L90 HydrophobicContact CZ-CD1 4.15Å; F69-L90 HydrophobicContact CZ-CD2 3.9Å; F69-L90 HydrophobicContact CZ-CG 4.26Å |
| 70 | W | 92.3 | Very high | 87.5 | Confident | 31 Ų | 31 | 80.1 Ų | 80.1 | 12% | 0.117 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -68.8 | -35.6 | -179.6 | -66 | 117.1 | 0 | 0 | 0 | 112.2 | H66 Q67 L73 Q74 L90 V166 L169 R170 F173 | H66-W70 PolarHBondContact O-N 2.92Å; H66-W70 VanDerWaalsContact O-N 3.16Å; Q67-W70 PolarHBondContact O-N 3.23Å; Q67-W70 VanDerWaalsContact O-N 3.08Å; W70-L73 HydrophobicContact CE3-CD2 3.69Å; W70-L73 HydrophobicContact CZ3-CD2 3.66Å; W70-L73 PolarHBondContact O-N 3.16Å; W70-Q74 WeakPolarHBondContact O-CB 3.43Å; W70-Q74 PolarHBondContact O-N 2.7Å; W70-L90 HydrophobicContact CH2-CD1 4.23Å; W70-L90 HydrophobicContact CH2-CD2 4.44Å; W70-L90 HydrophobicContact CZ3-CD1 3.82Å; W70-V166 HydrophobicContact CB-CG1 4.2Å; W70-V166 HydrophobicContact CD2-CG1 4.49Å; W70-V166 HydrophobicContact CE3-CG1 3.86Å; W70-L169 HydrophobicContact CZ3-CB 4.25Å; W70-R170 HydrophobicContact CD2-CB 4.26Å; W70-R170 HydrophobicContact CD2-CG 4.36Å; W70-R170 HydrophobicContact CE3-CB 4.4Å; W70-R170 HydrophobicContact CH2-CB 4.08Å; W70-R170 HydrophobicContact CZ2-CB 3.95Å; W70-R170 HydrophobicContact CZ2-CG 4.01Å; W70-R170 HydrophobicContact CZ3-CB 4.3Å; W70-F173 HydrophobicContact CH2-CD2 4.39Å |
| 71 | D | 92.1 | Very high | 87.7 | Confident | 92 Ų | 92 | 78 Ų | 78 | 49% | 0.492 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 173.9 | -66.3 | -21.4 | 0 | 0 | 0 | 110.7 | Q67 Q74 E75 | Q67-D71 WeakPolarHBondContact O-CB 3.48Å; Q67-D71 VanDerWaalsContact O-CG 3.22Å; Q67-D71 PolarHBondContact O-N 3.22Å; D71-Q74 WeakPolarHBondContact O-CB 3.35Å; D71-Q74 PolarHBondContact O-N 3.22Å; D71-E75 PolarHBondContact O-N 3.38Å |
| 72 | S | 91.1 | Very high | 88.1 | Confident | 53 Ų | 53 | 76.6 Ų | 76.6 | 37% | 0.371 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.5 | -39.9 | 175.3 | -175.1 | 0 | 0 | 0 | 0 | 112.4 | A68 F69 Q74 E75 Q76 | A68-S72 WeakPolarHBondContact O-CB 3.37Å; A68-S72 PolarHBondContact O-N 2.98Å; F69-S72 PolarHBondContact O-N 3.05Å; S72-Q74 VanDerWaalsContact C-N 3.34Å; S72-E75 PolarHBondContact O-N 2.91Å; S72-Q76 VanDerWaalsContact O-CG 3.32Å; S72-Q76 WeakPolarHBondContact O-CG 3.23Å; S72-Q76 PolarHBondContact O-N 3.1Å |
| 73 | L | 91.6 | Very high | 88.6 | Confident | 1 Ų | 1 | 77.9 Ų | 77.9 | 1% | 0.005 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 174.1 | -178.7 | 68.2 | 0 | 0 | 0 | 111.5 | F69 W70 E75 Q76 L77 Q86 A87 L90 V166 L169 | F69-L73 PolarHBondContact O-N 3.11Å; W70-L73 HydrophobicContact CE3-CD2 3.69Å; W70-L73 HydrophobicContact CZ3-CD2 3.66Å; W70-L73 PolarHBondContact O-N 3.16Å; L73-E75 VanDerWaalsContact C-N 3.34Å; L73-Q76 PolarHBondContact O-N 3.04Å; L73-L77 HydrophobicContact CD1-CD1 4.28Å; L73-L77 HydrophobicContact CD1-CG 4.3Å; L73-L77 HydrophobicContact CG-CD1 4.12Å; L73-L77 HydrophobicContact CG-CG 4.46Å; L73-L77 WeakPolarHBondContact O-CG 3.49Å; L73-L77 PolarHBondContact O-N 3.44Å; L73-Q86 HydrophobicContact CD1-CB 3.76Å; L73-Q86 HydrophobicContact CD1-CG 3.97Å; L73-A87 HydrophobicContact CD1-CB 4.35Å; L73-L90 HydrophobicContact CD1-CD1 4.41Å; L73-L90 HydrophobicContact CD2-CD1 3.54Å; L73-V166 HydrophobicContact CD2-CG1 4.36Å; L73-V166 HydrophobicContact CD2-CG2 4.09Å; L73-V166 HydrophobicContact CG-CG2 4.06Å; L73-L169 HydrophobicContact CD2-CD1 4.3Å |
| 74 | Q | 92.7 | Very high | 88.9 | Confident | 67 Ų | 67 | 75.3 Ų | 75.3 | 31% | 0.313 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 176.7 | -175.3 | 67.2 | 44.5 | 0 | 0 | 111.2 | W70 D71 S72 L77 S78 V166 | W70-Q74 WeakPolarHBondContact O-CB 3.43Å; W70-Q74 PolarHBondContact O-N 2.7Å; D71-Q74 WeakPolarHBondContact O-CB 3.35Å; D71-Q74 PolarHBondContact O-N 3.22Å; S72-Q74 VanDerWaalsContact C-N 3.34Å; Q74-L77 PolarHBondContact O-N 3.22Å; Q74-S78 PolarHBondContact NE2-OG 2.93Å; Q74-S78 VanDerWaalsContact O-CB 3.3Å; Q74-S78 WeakPolarHBondContact O-CB 3.4Å; Q74-S78 PolarHBondContact O-N 3.29Å; Q74-S78 PolarHBondContact O-OG 3.3Å; Q74-V166 HydrophobicContact CB-CG2 4.09Å |
| 75 | E | 91.7 | Very high | 89 | Confident | 147 Ų | 147 | 72.9 Ų | 72.9 | 69% | 0.687 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -62.3 | -45 | 176.4 | -172 | 178.5 | -166.9 | 0 | 0 | 111.9 | D71 S72 L73 L77 S78 S79 | D71-E75 PolarHBondContact O-N 3.38Å; S72-E75 PolarHBondContact O-N 2.91Å; L73-E75 VanDerWaalsContact C-N 3.34Å; E75-L77 PolarHBondContact O-N 3.41Å; E75-S78 PolarHBondContact O-N 2.94Å; E75-S79 PolarHBondContact O-N 2.95Å; E75-S79 VanDerWaalsContact O-N 3.14Å |
| 76 | Q | 90.5 | Very high | 89.3 | Confident | 45 Ų | 45 | 70.4 Ų | 70.4 | 21% | 0.21 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.2 | -40.3 | 177.3 | -74.4 | 179.6 | 0.4 | 0 | 0 | 113.2 | S72 L73 S78 S79 N83 | S72-Q76 VanDerWaalsContact O-CG 3.32Å; S72-Q76 WeakPolarHBondContact O-CG 3.23Å; S72-Q76 PolarHBondContact O-N 3.1Å; L73-Q76 PolarHBondContact O-N 3.04Å; Q76-S78 VanDerWaalsContact C-N 3.31Å; Q76-S79 PolarHBondContact O-OG 2.8Å; Q76-N83 HydrophobicContact CB-CB 4.18Å; Q76-N83 PolarHBondContact O-N 3.29Å |
| 77 | L | 90.2 | Very high | 89.5 | Confident | 26 Ų | 26 | 65.4 Ų | 65.4 | 14% | 0.136 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -74.9 | -23.5 | 178.2 | -67.9 | 179.6 | 0 | 0 | 0 | 112.7 | L73 Q74 E75 Y84 A87 L133 P165 V166 | L73-L77 HydrophobicContact CD1-CD1 4.28Å; L73-L77 HydrophobicContact CD1-CG 4.3Å; L73-L77 HydrophobicContact CG-CD1 4.12Å; L73-L77 HydrophobicContact CG-CG 4.46Å; L73-L77 WeakPolarHBondContact O-CG 3.49Å; L73-L77 PolarHBondContact O-N 3.44Å; Q74-L77 PolarHBondContact O-N 3.22Å; E75-L77 PolarHBondContact O-N 3.41Å; L77-Y84 HydrophobicContact CD2-CD1 3.49Å; L77-Y84 VanDerWaalsContact CD2-CD1 3.49Å; L77-Y84 HydrophobicContact CD2-CE1 3.64Å; L77-Y84 HydrophobicContact CD2-CG 4.4Å; L77-A87 HydrophobicContact CD2-CB 4.37Å; L77-L133 HydrophobicContact CD1-CD1 4.38Å; L77-L133 HydrophobicContact CD2-CD1 4.32Å; L77-P165 HydrophobicContact CD1-CB 4.23Å; L77-V166 HydrophobicContact CD1-CG2 3.81Å |
| 78 | S | 89.6 | Confident | 89.6 | Confident | 81 Ų | 81 | 61 Ų | 61 | 57% | 0.566 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -90.3 | -6.9 | 179.5 | -51 | 0 | 0 | 0 | 0 | 113.4 | Q74 E75 Q76 | Q74-S78 PolarHBondContact NE2-OG 2.93Å; Q74-S78 VanDerWaalsContact O-CB 3.3Å; Q74-S78 WeakPolarHBondContact O-CB 3.4Å; Q74-S78 PolarHBondContact O-N 3.29Å; Q74-S78 PolarHBondContact O-OG 3.3Å; E75-S78 PolarHBondContact O-N 2.94Å; Q76-S78 VanDerWaalsContact C-N 3.31Å |
| 79 | S | 89 | Confident | 89.8 | Confident | 51 Ų | 51 | 62.3 Ų | 62.3 | 36% | 0.357 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -69.8 | 158.3 | 177.6 | 68.9 | 0 | 0 | 0 | 0 | 112.2 | E75 Q76 P81 P82 N83 | E75-S79 PolarHBondContact O-N 2.95Å; E75-S79 VanDerWaalsContact O-N 3.14Å; Q76-S79 PolarHBondContact O-OG 2.8Å; S79-P81 CarbonylContact C-O 3.43Å; S79-P81 CarbonylContact O-C 3.41Å; S79-P81 PolarHBondContact OG-O 2.89Å; S79-P82 WeakPolarHBondContact O-CA 3.17Å; S79-N83 PolarHBondContact OG-N 3.43Å |
| 80 | D | 83.5 | Confident | 89.9 | Confident | 161 Ų | 161 | 59.3 Ų | 59.3 | 86% | 0.861 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -118 | 109.5 | 174.4 | -172.9 | 21.7 | 0 | 0 | 0 | 110.7 | ||
| 81 | P | 81.7 | Confident | 90 | Very high | 105 Ų | 105 | 58 Ų | 58 | 68% | 0.682 | 32% | 0.324 | S | S | * | . | S | Bend | cis | -72.5 | 156.9 | -2.7 | 30.9 | -34.9 | 0 | 0 | 0 | 112.7 | S79 | S79-P81 CarbonylContact C-O 3.43Å; S79-P81 CarbonylContact O-C 3.41Å; S79-P81 PolarHBondContact OG-O 2.89Å |
| 82 | P | 88.1 | Confident | 90.1 | Very high | 51 Ų | 51 | 57.4 Ų | 57.4 | 33% | 0.331 | 32% | 0.319 | S | S | . | . | trans | -67.3 | 135.6 | -179.6 | 23.5 | -32.7 | 0 | 0 | 0 | 111.7 | S79 Y84 | S79-P82 WeakPolarHBondContact O-CA 3.17Å; P82-Y84 HydrophobicContact CB-CE2 3.86Å; P82-Y84 HydrophobicContact CG-CE2 3.69Å | ||
| 83 | N | 89.6 | Confident | 90.3 | Very high | 71 Ų | 71 | 59.2 Ų | 59.2 | 38% | 0.38 | 32% | 0.321 | S | S | . | . | trans | -97.2 | 109.7 | 177.7 | -175.7 | -16.9 | 0 | 0 | 0 | 110.9 | Q76 S79 S85 | Q76-N83 HydrophobicContact CB-CB 4.18Å; Q76-N83 PolarHBondContact O-N 3.29Å; S79-N83 PolarHBondContact OG-N 3.43Å; N83-S85 VanDerWaalsContact OD1-CB 3.22Å; N83-S85 WeakPolarHBondContact OD1-CB 3.45Å; N83-S85 PolarHBondContact OD1-N 3.38Å; N83-S85 PolarHBondContact OD1-OG 3.45Å | ||
| 84 | Y | 89.5 | Confident | 90.4 | Very high | 45 Ų | 45 | 59.2 Ų | 59.2 | 18% | 0.176 | 32% | 0.321 | C | S | . | . | trans | -93.2 | 4.4 | -179.3 | -64.5 | -78.6 | 0 | 0 | 0 | 114.6 | L77 P82 Q86 A87 V88 V126 L131 L133 | L77-Y84 HydrophobicContact CD2-CD1 3.49Å; L77-Y84 VanDerWaalsContact CD2-CD1 3.49Å; L77-Y84 HydrophobicContact CD2-CE1 3.64Å; L77-Y84 HydrophobicContact CD2-CG 4.4Å; P82-Y84 HydrophobicContact CB-CE2 3.86Å; P82-Y84 HydrophobicContact CG-CE2 3.69Å; Y84-Q86 VanDerWaalsContact C-N 3.32Å; Y84-Q86 PolarHBondContact O-N 2.83Å; Y84-A87 HydrophobicContact CD1-CB 4.41Å; Y84-A87 WeakPolarHBondContact O-CB 3.39Å; Y84-A87 PolarHBondContact O-N 3.2Å; Y84-V88 WeakPolarHBondContact O-CG2 3.41Å; Y84-V88 PolarHBondContact O-N 3.42Å; Y84-V126 HydrophobicContact CD2-CG1 4.14Å; Y84-V126 HydrophobicContact CD2-CG2 4.29Å; Y84-V126 HydrophobicContact CG-CG1 4.48Å; Y84-V126 HydrophobicContact CG-CG2 4.16Å; Y84-L131 HydrophobicContact CD1-CD2 3.75Å; Y84-L131 HydrophobicContact CE1-CD2 4.22Å; Y84-L131 HydrophobicContact CG-CD2 3.95Å; Y84-L133 HydrophobicContact CD1-CD1 4.2Å; Y84-L133 HydrophobicContact CE1-CD1 3.9Å; Y84-L133 HydrophobicContact CE1-CG 4.31Å | ||
| 85 | S | 88.2 | Confident | 90.5 | Very high | 61 Ų | 61 | 57.7 Ų | 57.7 | 43% | 0.427 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -51.9 | -48 | -174 | 55.1 | 0 | 0 | 0 | 0 | 112.8 | N83 V88 I89 | N83-S85 VanDerWaalsContact OD1-CB 3.22Å; N83-S85 WeakPolarHBondContact OD1-CB 3.45Å; N83-S85 PolarHBondContact OD1-N 3.38Å; N83-S85 PolarHBondContact OD1-OG 3.45Å; S85-V88 PolarHBondContact O-N 2.82Å; S85-I89 PolarHBondContact O-N 3.36Å |
| 86 | Q | 89.4 | Confident | 90.7 | Very high | 51 Ų | 51 | 54.9 Ų | 54.9 | 24% | 0.238 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -71.4 | -36 | 178.2 | -165.8 | 63.7 | 41.7 | 0 | 0 | 112.8 | F69 L73 Y84 V88 I89 L90 | F69-Q86 HydrophobicContact CE2-CG 3.99Å; F69-Q86 HydrophobicContact CZ-CG 3.96Å; L73-Q86 HydrophobicContact CD1-CB 3.76Å; L73-Q86 HydrophobicContact CD1-CG 3.97Å; Y84-Q86 VanDerWaalsContact C-N 3.32Å; Y84-Q86 PolarHBondContact O-N 2.83Å; Q86-V88 VanDerWaalsContact C-N 3.32Å; Q86-V88 PolarHBondContact O-N 3.23Å; Q86-I89 PolarHBondContact O-N 2.84Å; Q86-L90 WeakPolarHBondContact O-CG 3.47Å; Q86-L90 PolarHBondContact O-N 3.49Å |
| 87 | A | 90.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.6 | -36.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L73 L77 Y84 L90 L91 L133 | L73-A87 HydrophobicContact CD1-CB 4.35Å; L77-A87 HydrophobicContact CD2-CB 4.37Å; Y84-A87 HydrophobicContact CD1-CB 4.41Å; Y84-A87 WeakPolarHBondContact O-CB 3.39Å; Y84-A87 PolarHBondContact O-N 3.2Å; A87-L90 PolarHBondContact O-N 2.99Å; A87-L91 WeakPolarHBondContact O-CG 3.38Å; A87-L91 PolarHBondContact O-N 2.88Å; A87-L133 HydrophobicContact CB-CD2 4.5Å |
| 88 | V | 92 | Very high | 91 | Very high | 17 Ų | 17 | 53.4 Ų | 53.4 | 10% | 0.103 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64 | -40.9 | 175.2 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | Y84 S85 Q86 L90 L91 Q92 I122 Q123 V126 | Y84-V88 WeakPolarHBondContact O-CG2 3.41Å; Y84-V88 PolarHBondContact O-N 3.42Å; S85-V88 PolarHBondContact O-N 2.82Å; Q86-V88 VanDerWaalsContact C-N 3.32Å; Q86-V88 PolarHBondContact O-N 3.23Å; V88-L90 VanDerWaalsContact C-N 3.33Å; V88-L90 PolarHBondContact O-N 3.13Å; V88-L91 PolarHBondContact O-N 3.43Å; V88-Q92 PolarHBondContact O-N 2.97Å; V88-I122 HydrophobicContact CG1-CG2 4.49Å; V88-I122 HydrophobicContact CG2-CG2 3.98Å; V88-Q123 HydrophobicContact CG1-CG 4.22Å; V88-V126 HydrophobicContact CG2-CG2 3.92Å |
| 89 | I | 92.1 | Very high | 91.1 | Very high | 84 Ų | 84 | 50.2 Ų | 50.2 | 43% | 0.431 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 174.9 | -62.4 | 169.4 | 0 | 0 | 0 | 110.1 | S85 Q86 L91 Q92 E93 | S85-I89 PolarHBondContact O-N 3.36Å; Q86-I89 PolarHBondContact O-N 2.84Å; I89-L91 VanDerWaalsContact C-N 3.34Å; I89-L91 PolarHBondContact O-N 3.47Å; I89-Q92 WeakPolarHBondContact O-CB 3.5Å; I89-Q92 PolarHBondContact O-N 3.49Å; I89-E93 PolarHBondContact O-N 3.37Å |
| 90 | L | 93.1 | Very high | 91.2 | Very high | 5 Ų | 5 | 50.4 Ų | 50.4 | 3% | 0.026 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.9 | -40 | 176.9 | -70.6 | 174.4 | 0 | 0 | 0 | 112.3 | F69 W70 L73 Q86 A87 V88 Q92 E93 V94 L169 F173 | F69-L90 HydrophobicContact CE1-CD1 4.21Å; F69-L90 HydrophobicContact CE1-CD2 4.16Å; F69-L90 HydrophobicContact CZ-CD1 4.15Å; F69-L90 HydrophobicContact CZ-CD2 3.9Å; F69-L90 HydrophobicContact CZ-CG 4.26Å; W70-L90 HydrophobicContact CH2-CD1 4.23Å; W70-L90 HydrophobicContact CH2-CD2 4.44Å; W70-L90 HydrophobicContact CZ3-CD1 3.82Å; L73-L90 HydrophobicContact CD1-CD1 4.41Å; L73-L90 HydrophobicContact CD2-CD1 3.54Å; Q86-L90 WeakPolarHBondContact O-CG 3.47Å; Q86-L90 PolarHBondContact O-N 3.49Å; A87-L90 PolarHBondContact O-N 2.99Å; V88-L90 VanDerWaalsContact C-N 3.33Å; V88-L90 PolarHBondContact O-N 3.13Å; L90-Q92 VanDerWaalsContact C-N 3.34Å; L90-Q92 PolarHBondContact O-N 2.96Å; L90-E93 PolarHBondContact O-N 3.09Å; L90-V94 VanDerWaalsContact O-CG2 3.31Å; L90-V94 WeakPolarHBondContact O-CG2 3.45Å; L90-V94 PolarHBondContact O-N 3.25Å; L90-L169 HydrophobicContact CD1-CD1 4.24Å; L90-F173 HydrophobicContact CB-CE2 3.92Å; L90-F173 HydrophobicContact CB-CZ 4.05Å; L90-F173 HydrophobicContact CD2-CE1 4.22Å; L90-F173 HydrophobicContact CD2-CE2 3.67Å; L90-F173 HydrophobicContact CD2-CZ 3.47Å; L90-F173 VanDerWaalsContact CD2-CZ 3.47Å; L90-F173 HydrophobicContact CG-CE2 4.32Å; L90-F173 HydrophobicContact CG-CZ 4.37Å; L90-F173 WeakPolarHBondContact O-CZ 3.25Å |
| 91 | L | 93.6 | Very high | 91.6 | Very high | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.4 | -38.2 | 175.5 | -72.2 | 168.9 | 0 | 0 | 0 | 112.2 | A87 V88 I89 V94 K95 I122 L133 L136 | A87-L91 WeakPolarHBondContact O-CG 3.38Å; A87-L91 PolarHBondContact O-N 2.88Å; V88-L91 PolarHBondContact O-N 3.43Å; I89-L91 VanDerWaalsContact C-N 3.34Å; I89-L91 PolarHBondContact O-N 3.47Å; L91-V94 PolarHBondContact O-N 3.29Å; L91-K95 PolarHBondContact O-N 3.2Å; L91-I122 HydrophobicContact CD1-CD1 4.49Å; L91-I122 HydrophobicContact CD1-CG2 4.24Å; L91-L133 HydrophobicContact CD1-CD2 4.07Å; L91-L136 HydrophobicContact CD1-CD1 3.83Å; L91-L136 HydrophobicContact CD2-CB 4.44Å; L91-L136 HydrophobicContact CD2-CD1 4.34Å |
| 92 | Q | 94.4 | Very high | 91.9 | Very high | 80 Ų | 80 | 38.9 Ų | 38.9 | 37% | 0.374 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.8 | -40.1 | 173.8 | 177.7 | 59.8 | 90 | 0 | 0 | 111.8 | V88 I89 L90 K95 T96 M119 | V88-Q92 PolarHBondContact O-N 2.97Å; I89-Q92 WeakPolarHBondContact O-CB 3.5Å; I89-Q92 PolarHBondContact O-N 3.49Å; L90-Q92 VanDerWaalsContact C-N 3.34Å; L90-Q92 PolarHBondContact O-N 2.96Å; Q92-K95 PolarHBondContact O-N 3.02Å; Q92-T96 PolarHBondContact NE2-OG1 3.46Å; Q92-T96 PolarHBondContact O-N 3.35Å; Q92-T96 PolarHBondContact O-OG1 3.48Å; Q92-M119 HydrophobicContact CB-CG 4.43Å; Q92-M119 HydrophobicContact CB-SD 3.8Å |
| 93 | E | 94.3 | Very high | 91.8 | Very high | 91 Ų | 91 | 41 Ų | 41 | 43% | 0.425 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.3 | -42.8 | 173.7 | -74.1 | -179.2 | -175.3 | 0 | 0 | 111.8 | I89 L90 K95 T96 M97 F173 | I89-E93 PolarHBondContact O-N 3.37Å; L90-E93 PolarHBondContact O-N 3.09Å; E93-K95 PolarHBondContact O-N 2.94Å; E93-T96 WeakPolarHBondContact O-CB 3.45Å; E93-T96 PolarHBondContact O-N 2.94Å; E93-T96 VanDerWaalsContact O-N 3.15Å; E93-M97 WeakPolarHBondContact O-CG 3.49Å; E93-M97 PolarHBondContact O-N 3.45Å; E93-F173 HydrophobicContact CB-CE1 3.94Å; E93-F173 HydrophobicContact CB-CZ 3.8Å; E93-F173 VanDerWaalsContact OE2-CE1 3.29Å; E93-F173 WeakPolarHBondContact OE2-CE1 3.45Å |
| 94 | V | 94.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.9 | -47 | 173.4 | 167.2 | 0 | 0 | 0 | 0 | 111.1 | L90 L91 T96 M97 L98 V140 I172 F173 L176 | L90-V94 VanDerWaalsContact O-CG2 3.31Å; L90-V94 WeakPolarHBondContact O-CG2 3.45Å; L90-V94 PolarHBondContact O-N 3.25Å; L91-V94 PolarHBondContact O-N 3.29Å; V94-T96 VanDerWaalsContact C-N 3.28Å; V94-T96 PolarHBondContact O-N 2.94Å; V94-M97 HydrophobicContact CG2-CE 4.44Å; V94-M97 PolarHBondContact O-N 2.82Å; V94-L98 HydrophobicContact CG1-CD1 4.01Å; V94-L98 HydrophobicContact CG1-CG 4.5Å; V94-L98 WeakPolarHBondContact O-CB 3.43Å; V94-L98 WeakPolarHBondContact O-CG 3.49Å; V94-L98 PolarHBondContact O-N 2.88Å; V94-V140 HydrophobicContact CG1-CB 4.4Å; V94-V140 HydrophobicContact CG1-CG1 3.77Å; V94-V140 HydrophobicContact CG1-CG2 3.69Å; V94-I172 HydrophobicContact CG1-CG2 4.47Å; V94-I172 HydrophobicContact CG2-CG2 4.04Å; V94-F173 HydrophobicContact CG2-CD2 4.1Å; V94-F173 HydrophobicContact CG2-CE2 3.48Å; V94-F173 VanDerWaalsContact CG2-CE2 3.48Å; V94-F173 HydrophobicContact CG2-CZ 3.83Å; V94-L176 HydrophobicContact CB-CD1 4.44Å; V94-L176 HydrophobicContact CG1-CD1 4.1Å; V94-L176 HydrophobicContact CG2-CD1 4.16Å |
| 95 | K | 94.9 | Very high | 91.3 | Very high | 35 Ų | 35 | 44.5 Ų | 44.5 | 15% | 0.152 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55.8 | -45.6 | 174.5 | 179.5 | 177.2 | -174 | 166.7 | 0 | 111.3 | L91 Q92 E93 G99 L113 D114 L117 M119 | L91-K95 PolarHBondContact O-N 3.2Å; Q92-K95 PolarHBondContact O-N 3.02Å; E93-K95 PolarHBondContact O-N 2.94Å; K95-G99 PolarHBondContact O-N 2.74Å; K95-L113 HydrophobicContact CG-CG 4.29Å; K95-D114 WeakPolarHBondContact CE-OD1 3.43Å; K95-D114 IonicContact NZ-OD1 3.66Å; K95-D114 PolarHBondContact NZ-OD1 3.1Å; K95-L117 HydrophobicContact CB-CB 4.24Å; K95-L117 HydrophobicContact CB-CD1 3.84Å; K95-L117 HydrophobicContact CD-CB 4.01Å; K95-L117 VanDerWaalsContact CD-O 3.27Å; K95-L117 WeakPolarHBondContact CD-O 3.27Å; K95-L117 WeakPolarHBondContact CE-O 3.35Å; K95-L117 HydrophobicContact CG-CB 4.24Å; K95-L117 HydrophobicContact CG-CD1 4.41Å; K95-L117 PolarHBondContact NZ-O 3.18Å; K95-M119 HydrophobicContact CD-CE 4.16Å |
| 96 | T | 94.9 | Very high | 91.4 | Very high | 88 Ų | 88 | 44.7 Ų | 44.7 | 54% | 0.54 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.9 | -44.2 | -178.5 | -53.9 | 0 | 0 | 0 | 0 | 111.4 | Q92 E93 V94 G99 S100 | Q92-T96 PolarHBondContact NE2-OG1 3.46Å; Q92-T96 PolarHBondContact O-N 3.35Å; Q92-T96 PolarHBondContact O-OG1 3.48Å; E93-T96 WeakPolarHBondContact O-CB 3.45Å; E93-T96 PolarHBondContact O-N 2.94Å; E93-T96 VanDerWaalsContact O-N 3.15Å; V94-T96 VanDerWaalsContact C-N 3.28Å; V94-T96 PolarHBondContact O-N 2.94Å; T96-G99 PolarHBondContact O-N 3.45Å; T96-S100 PolarHBondContact O-N 2.67Å |
| 97 | M | 93.3 | Very high | 91.6 | Very high | 39 Ų | 39 | 46.8 Ų | 46.8 | 19% | 0.192 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.5 | -49.5 | 177.2 | -74.2 | -168.5 | -73 | 0 | 0 | 111.6 | E93 V94 G99 S100 L101 F173 L176 | E93-M97 WeakPolarHBondContact O-CG 3.49Å; E93-M97 PolarHBondContact O-N 3.45Å; V94-M97 HydrophobicContact CG2-CE 4.44Å; V94-M97 PolarHBondContact O-N 2.82Å; M97-G99 VanDerWaalsContact C-N 3.31Å; M97-G99 PolarHBondContact O-N 2.91Å; M97-S100 WeakPolarHBondContact O-CB 3.36Å; M97-S100 PolarHBondContact O-N 3.32Å; M97-S100 VanDerWaalsContact O-N 3.11Å; M97-S100 PolarHBondContact O-OG 3.22Å; M97-L101 WeakPolarHBondContact O-CG 3.47Å; M97-L101 PolarHBondContact O-N 3.37Å; M97-F173 HydrophobicContact CE-CD1 3.31Å; M97-F173 HydrophobicContact CE-CE1 3.23Å; M97-F173 HydrophobicContact CE-CG 4.07Å; M97-F173 HydrophobicContact CE-CZ 3.93Å; M97-F173 HydrophobicContact SD-CD1 4.41Å; M97-L176 HydrophobicContact CB-CD1 4.31Å; M97-L176 HydrophobicContact CE-CB 4.28Å; M97-L176 HydrophobicContact CE-CD1 3.77Å; M97-L176 HydrophobicContact SD-CB 4.18Å |
| 98 | L | 93.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57 | -45.5 | 174.6 | -77.2 | 173.8 | 0 | 0 | 0 | 111.6 | V94 S100 L101 L102 L113 V140 M143 M144 L176 | V94-L98 HydrophobicContact CG1-CD1 4.01Å; V94-L98 HydrophobicContact CG1-CG 4.5Å; V94-L98 WeakPolarHBondContact O-CB 3.43Å; V94-L98 WeakPolarHBondContact O-CG 3.49Å; V94-L98 PolarHBondContact O-N 2.88Å; L98-S100 PolarHBondContact O-N 3.38Å; L98-L101 WeakPolarHBondContact O-CB 3.48Å; L98-L101 PolarHBondContact O-N 3.07Å; L98-L102 PolarHBondContact O-N 3.22Å; L98-L113 HydrophobicContact CB-CD1 4.14Å; L98-L113 HydrophobicContact CB-CD2 3.9Å; L98-L113 HydrophobicContact CD1-CD1 3.81Å; L98-V140 HydrophobicContact CD1-CB 4.49Å; L98-V140 HydrophobicContact CD1-CG1 4.16Å; L98-V140 HydrophobicContact CD1-CG2 4.16Å; L98-M143 HydrophobicContact CD1-SD 4.21Å; L98-M143 HydrophobicContact CD2-CG 4.31Å; L98-M143 HydrophobicContact CD2-SD 4.48Å; L98-M144 HydrophobicContact CD2-CG 3.98Å; L98-L176 HydrophobicContact CD2-CD2 3.64Å; L98-L176 HydrophobicContact CG-CD2 4.06Å |
| 99 | G | 92.8 | Very high | 91.6 | Very high | 14 Ų | 14 | 58.4 Ų | 58.4 | 14% | 0.144 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.2 | -32.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | K95 T96 M97 L101 L102 R110 | K95-G99 PolarHBondContact O-N 2.74Å; T96-G99 PolarHBondContact O-N 3.45Å; M97-G99 VanDerWaalsContact C-N 3.31Å; M97-G99 PolarHBondContact O-N 2.91Å; G99-L101 VanDerWaalsContact C-N 3.33Å; G99-L102 PolarHBondContact O-N 2.86Å; G99-R110 PolarHBondContact O-NH2 2.94Å |
| 100 | S | 90.9 | Very high | 91.7 | Very high | 56 Ų | 56 | 59.1 Ų | 59.1 | 39% | 0.392 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -73.2 | -23.6 | 175.1 | 79.4 | 0 | 0 | 0 | 0 | 113.7 | T96 M97 L98 L102 M183 | T96-S100 PolarHBondContact O-N 2.67Å; M97-S100 WeakPolarHBondContact O-CB 3.36Å; M97-S100 PolarHBondContact O-N 3.32Å; M97-S100 VanDerWaalsContact O-N 3.11Å; M97-S100 PolarHBondContact O-OG 3.22Å; L98-S100 PolarHBondContact O-N 3.38Å; S100-L102 VanDerWaalsContact C-N 3.35Å; S100-M183 WeakPolarHBondContact O-CE 3.44Å |
| 101 | L | 90.9 | Very high | 91.7 | Very high | 15 Ų | 15 | 62 Ų | 62 | 8% | 0.079 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -82.2 | -15.3 | 176.5 | -62.2 | 171.7 | 0 | 0 | 0 | 112.8 | M97 L98 G99 L176 M179 K180 M183 | M97-L101 WeakPolarHBondContact O-CG 3.47Å; M97-L101 PolarHBondContact O-N 3.37Å; L98-L101 WeakPolarHBondContact O-CB 3.48Å; L98-L101 PolarHBondContact O-N 3.07Å; G99-L101 VanDerWaalsContact C-N 3.33Å; L101-L176 HydrophobicContact CD1-CD2 4Å; L101-M179 HydrophobicContact CD1-CB 4.04Å; L101-M179 HydrophobicContact CD1-CE 3.99Å; L101-M179 HydrophobicContact CD2-CB 4.49Å; L101-K180 HydrophobicContact CD2-CB 4.24Å; L101-M183 HydrophobicContact CB-SD 4.42Å; L101-M183 HydrophobicContact CD2-CB 4.11Å; L101-M183 HydrophobicContact CD2-CE 3.99Å; L101-M183 HydrophobicContact CD2-SD 3.91Å |
| 102 | L | 89.6 | Confident | 91.7 | Very high | 9 Ų | 9 | 66.3 Ų | 66.3 | 5% | 0.047 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -81.9 | 118.6 | -179.2 | -67.1 | 177.7 | 0 | 0 | 0 | 111.4 | L98 G99 S100 H106 L109 R110 L113 L147 | L98-L102 PolarHBondContact O-N 3.22Å; G99-L102 PolarHBondContact O-N 2.86Å; S100-L102 VanDerWaalsContact C-N 3.35Å; L102-H106 HydrophobicContact CB-CB 4.27Å; L102-H106 HydrophobicContact CD2-CB 4.01Å; L102-L109 HydrophobicContact CD1-CB 4.44Å; L102-L109 HydrophobicContact CD2-CB 3.93Å; L102-L109 HydrophobicContact CD2-CD1 4.11Å; L102-R110 HydrophobicContact CD1-CB 3.99Å; L102-R110 HydrophobicContact CD1-CG 4.49Å; L102-R110 PolarHBondContact O-NH2 3.04Å; L102-R110 VanDerWaalsContact O-NH2 3.15Å; L102-L113 HydrophobicContact CD1-CD2 4.11Å; L102-L147 HydrophobicContact CD2-CD1 3.72Å; L102-L147 HydrophobicContact CD2-CD2 3.92Å; L102-L147 HydrophobicContact CD2-CG 4.47Å |
| 103 | L | 85.2 | Confident | 91.7 | Very high | 96 Ų | 96 | 62.6 Ų | 62.6 | 50% | 0.503 | 34% | 0.339 | S | S | . | . | trans | -61.3 | 155.9 | 171 | -69.2 | 166.2 | 0 | 0 | 0 | 111.6 | G105 H106 | L103-G105 PolarHBondContact O-N 3.3Å; L103-H106 WeakPolarHBondContact O-CB 3.44Å; L103-H106 PolarHBondContact O-N 2.87Å | ||
| 104 | P | 83.5 | Confident | 91.6 | Very high | 122 Ų | 122 | 62 Ų | 62 | 79% | 0.792 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -29.4 | 179.9 | -27.6 | 35.2 | 0 | 0 | 0 | 114.6 | H106 | P104-H106 VanDerWaalsContact C-N 3.32Å; P104-H106 PolarHBondContact O-N 3.43Å |
| 105 | G | 86.1 | Confident | 91.6 | Very high | 67 Ų | 67 | 68.2 Ų | 68.2 | 69% | 0.691 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -12.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | L103 V107 | L103-G105 PolarHBondContact O-N 3.3Å; G105-V107 PolarHBondContact O-N 2.96Å |
| 106 | H | 90.3 | Very high | 91.5 | Very high | 64 Ų | 64 | 69.3 Ų | 69.3 | 30% | 0.296 | 38% | 0.377 | S | S | . | . | trans | -83.5 | 50.2 | -175.9 | -65.4 | 174.9 | 0 | 0 | 0 | 113.2 | L102 L103 P104 R108 L109 R110 | L102-H106 HydrophobicContact CB-CB 4.27Å; L102-H106 HydrophobicContact CD2-CB 4.01Å; L103-H106 WeakPolarHBondContact O-CB 3.44Å; L103-H106 PolarHBondContact O-N 2.87Å; P104-H106 VanDerWaalsContact C-N 3.32Å; P104-H106 PolarHBondContact O-N 3.43Å; H106-R108 PolarHBondContact O-N 3.28Å; H106-L109 HydrophobicContact CB-CB 4.35Å; H106-L109 HydrophobicContact CB-CD1 4.35Å; H106-L109 PolarHBondContact O-N 3.04Å; H106-R110 WeakPolarHBondContact O-CB 3.31Å; H106-R110 PolarHBondContact O-N 3.44Å | ||
| 107 | V | 91.6 | Very high | 91.4 | Very high | 95 Ų | 95 | 65.1 Ų | 65.1 | 58% | 0.576 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -59.5 | -45.9 | -175.9 | -176.2 | 0 | 0 | 0 | 0 | 111.6 | G105 L109 R110 T111 | G105-V107 PolarHBondContact O-N 2.96Å; V107-L109 PolarHBondContact O-N 3.07Å; V107-R110 WeakPolarHBondContact O-CB 3.42Å; V107-R110 PolarHBondContact O-N 2.9Å; V107-T111 PolarHBondContact O-N 3.29Å; V107-T111 PolarHBondContact O-OG1 3.06Å; V107-T111 VanDerWaalsContact O-OG1 3.07Å |
| 108 | R | 92.6 | Very high | 91.5 | Very high | 216 Ų | 216 | 66.2 Ų | 66.2 | 82% | 0.815 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62.5 | -45.3 | -179.3 | -68.6 | -177 | 175.8 | -179 | -1.1 | 113.2 | H106 R110 T111 Q112 | H106-R108 PolarHBondContact O-N 3.28Å; R108-R110 VanDerWaalsContact C-N 3.29Å; R108-R110 PolarHBondContact O-N 3.14Å; R108-T111 PolarHBondContact O-N 3.41Å; R108-Q112 WeakPolarHBondContact O-CG 3.32Å; R108-Q112 PolarHBondContact O-N 2.95Å |
| 109 | L | 91.4 | Very high | 91.5 | Very high | 45 Ų | 45 | 67.2 Ų | 67.2 | 24% | 0.236 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.3 | -35.3 | 178.6 | -68 | 174.9 | 0 | 0 | 0 | 111.2 | L102 H106 V107 Q112 L113 L147 | L102-L109 HydrophobicContact CD1-CB 4.44Å; L102-L109 HydrophobicContact CD2-CB 3.93Å; L102-L109 HydrophobicContact CD2-CD1 4.11Å; H106-L109 HydrophobicContact CB-CB 4.35Å; H106-L109 HydrophobicContact CB-CD1 4.35Å; H106-L109 PolarHBondContact O-N 3.04Å; V107-L109 PolarHBondContact O-N 3.07Å; L109-Q112 PolarHBondContact O-N 2.96Å; L109-L113 WeakPolarHBondContact O-CB 3.49Å; L109-L113 PolarHBondContact O-N 2.85Å; L109-L147 HydrophobicContact CD1-CD2 4.12Å |
| 110 | R | 93.3 | Very high | 91.5 | Very high | 99 Ų | 99 | 73.5 Ų | 73.5 | 37% | 0.374 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.4 | -47.1 | 175.3 | -170.6 | 175 | -67.7 | -88.4 | -3.9 | 111.2 | G99 L102 H106 V107 R108 Q112 L113 D114 | G99-R110 PolarHBondContact O-NH2 2.94Å; L102-R110 HydrophobicContact CD1-CB 3.99Å; L102-R110 HydrophobicContact CD1-CG 4.49Å; L102-R110 PolarHBondContact O-NH2 3.04Å; L102-R110 VanDerWaalsContact O-NH2 3.15Å; H106-R110 WeakPolarHBondContact O-CB 3.31Å; H106-R110 PolarHBondContact O-N 3.44Å; V107-R110 WeakPolarHBondContact O-CB 3.42Å; V107-R110 PolarHBondContact O-N 2.9Å; R108-R110 VanDerWaalsContact C-N 3.29Å; R108-R110 PolarHBondContact O-N 3.14Å; R110-Q112 PolarHBondContact O-N 3.47Å; R110-L113 WeakPolarHBondContact O-CB 3.2Å; R110-L113 PolarHBondContact O-N 2.85Å; R110-D114 PolarHBondContact O-N 3.44Å |
| 111 | T | 93.8 | Very high | 91.6 | Very high | 65 Ų | 65 | 74.4 Ų | 74.4 | 40% | 0.399 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -58.9 | -46.7 | 174.8 | -52.3 | 0 | 0 | 0 | 0 | 111.6 | V107 R108 L113 D114 E115 | V107-T111 PolarHBondContact O-N 3.29Å; V107-T111 PolarHBondContact O-OG1 3.06Å; V107-T111 VanDerWaalsContact O-OG1 3.07Å; R108-T111 PolarHBondContact O-N 3.41Å; T111-L113 VanDerWaalsContact C-N 3.33Å; T111-L113 PolarHBondContact O-N 2.92Å; T111-D114 PolarHBondContact O-N 2.84Å; T111-E115 HydrophobicContact CG2-CG 4.42Å; T111-E115 WeakPolarHBondContact CG2-OE1 3.48Å; T111-E115 WeakPolarHBondContact O-CG 3.35Å; T111-E115 PolarHBondContact O-N 3.24Å |
| 112 | Q | 93.6 | Very high | 91.7 | Very high | 95 Ų | 95 | 73.8 Ų | 73.8 | 44% | 0.444 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.4 | -39.6 | 176.8 | -73.1 | 176.6 | -11.4 | 0 | 0 | 112.9 | R108 L109 R110 V116 | R108-Q112 WeakPolarHBondContact O-CG 3.32Å; R108-Q112 PolarHBondContact O-N 2.95Å; L109-Q112 PolarHBondContact O-N 2.96Å; R110-Q112 PolarHBondContact O-N 3.47Å; Q112-V116 WeakPolarHBondContact O-CB 3.17Å; Q112-V116 WeakPolarHBondContact O-CG2 3.07Å; Q112-V116 PolarHBondContact O-N 3.24Å |
| 113 | L | 93.9 | Very high | 91.8 | Very high | 3 Ų | 3 | 78.3 Ų | 78.3 | 2% | 0.016 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.4 | -44 | 175.4 | 179.4 | 64.1 | 0 | 0 | 0 | 111.2 | K95 L98 L102 L109 R110 T111 L117 F139 M143 | K95-L113 HydrophobicContact CG-CG 4.29Å; L98-L113 HydrophobicContact CB-CD1 4.14Å; L98-L113 HydrophobicContact CB-CD2 3.9Å; L98-L113 HydrophobicContact CD1-CD1 3.81Å; L102-L113 HydrophobicContact CD1-CD2 4.11Å; L109-L113 WeakPolarHBondContact O-CB 3.49Å; L109-L113 PolarHBondContact O-N 2.85Å; R110-L113 WeakPolarHBondContact O-CB 3.2Å; R110-L113 PolarHBondContact O-N 2.85Å; T111-L113 VanDerWaalsContact C-N 3.33Å; T111-L113 PolarHBondContact O-N 2.92Å; L113-L117 HydrophobicContact CD1-CD1 3.61Å; L113-L117 HydrophobicContact CD1-CG 4.23Å; L113-L117 WeakPolarHBondContact O-CB 3.44Å; L113-L117 PolarHBondContact O-N 2.97Å; L113-F139 HydrophobicContact CD1-CE1 4.19Å; L113-M143 HydrophobicContact CB-CE 4.06Å; L113-M143 HydrophobicContact CB-SD 4.2Å; L113-M143 HydrophobicContact CD1-SD 3.92Å; L113-M143 HydrophobicContact CG-SD 4.46Å |
| 114 | D | 93.6 | Very high | 92.1 | Very high | 77 Ų | 77 | 78.7 Ų | 78.7 | 41% | 0.412 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -68.6 | -36.8 | -179.3 | -72.6 | -36.2 | 0 | 0 | 0 | 112.7 | K95 R110 T111 D118 | K95-D114 WeakPolarHBondContact CE-OD1 3.43Å; K95-D114 IonicContact NZ-OD1 3.66Å; K95-D114 PolarHBondContact NZ-OD1 3.1Å; R110-D114 PolarHBondContact O-N 3.44Å; T111-D114 PolarHBondContact O-N 2.84Å; D114-D118 PolarHBondContact O-N 2.98Å |
| 115 | E | 94 | Very high | 92.5 | Very high | 133 Ų | 133 | 75.3 Ų | 75.3 | 62% | 0.621 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -70.4 | -44.2 | 176.7 | -73.2 | 173.3 | 178.8 | 0 | 0 | 113 | T111 | T111-E115 HydrophobicContact CG2-CG 4.42Å; T111-E115 WeakPolarHBondContact CG2-OE1 3.48Å; T111-E115 WeakPolarHBondContact O-CG 3.35Å; T111-E115 PolarHBondContact O-N 3.24Å |
| 116 | V | 92.9 | Very high | 92.7 | Very high | 57 Ų | 57 | 74 Ų | 74 | 35% | 0.345 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -81.1 | -39.3 | -176.1 | 177.3 | 0 | 0 | 0 | 0 | 111.9 | Q112 D118 L136 F139 | Q112-V116 WeakPolarHBondContact O-CB 3.17Å; Q112-V116 WeakPolarHBondContact O-CG2 3.07Å; Q112-V116 PolarHBondContact O-N 3.24Å; V116-D118 VanDerWaalsContact C-N 3.34Å; V116-D118 PolarHBondContact O-N 3.39Å; V116-L136 HydrophobicContact CG1-CD2 4.32Å; V116-F139 HydrophobicContact CB-CD1 4.03Å; V116-F139 HydrophobicContact CB-CD2 4.3Å; V116-F139 HydrophobicContact CB-CE1 3.8Å; V116-F139 HydrophobicContact CB-CE2 4.07Å; V116-F139 HydrophobicContact CB-CG 4.27Å; V116-F139 HydrophobicContact CB-CZ 3.81Å; V116-F139 HydrophobicContact CG1-CB 4.12Å; V116-F139 HydrophobicContact CG1-CD1 3.59Å; V116-F139 HydrophobicContact CG1-CD2 3.98Å; V116-F139 HydrophobicContact CG1-CE1 3.92Å; V116-F139 HydrophobicContact CG1-CE2 4.28Å; V116-F139 HydrophobicContact CG1-CG 3.62Å; V116-F139 HydrophobicContact CG1-CZ 4.23Å; V116-F139 HydrophobicContact CG2-CD2 4.08Å; V116-F139 HydrophobicContact CG2-CE1 4.37Å; V116-F139 HydrophobicContact CG2-CE2 3.74Å; V116-F139 HydrophobicContact CG2-CZ 3.89Å |
| 117 | L | 93.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 57.3 | 173 | -60.8 | -178 | 0 | 0 | 0 | 109.9 | K95 L113 M119 I122 L136 V140 | K95-L117 HydrophobicContact CB-CB 4.24Å; K95-L117 HydrophobicContact CB-CD1 3.84Å; K95-L117 HydrophobicContact CD-CB 4.01Å; K95-L117 VanDerWaalsContact CD-O 3.27Å; K95-L117 WeakPolarHBondContact CD-O 3.27Å; K95-L117 WeakPolarHBondContact CE-O 3.35Å; K95-L117 HydrophobicContact CG-CB 4.24Å; K95-L117 HydrophobicContact CG-CD1 4.41Å; K95-L117 PolarHBondContact NZ-O 3.18Å; L113-L117 HydrophobicContact CD1-CD1 3.61Å; L113-L117 HydrophobicContact CD1-CG 4.23Å; L113-L117 WeakPolarHBondContact O-CB 3.44Å; L113-L117 PolarHBondContact O-N 2.97Å; L117-M119 HydrophobicContact CB-CE 3.83Å; L117-M119 WeakPolarHBondContact O-CE 3.43Å; L117-I122 HydrophobicContact CD2-CD1 4.31Å; L117-L136 HydrophobicContact CD2-CD2 4.11Å; L117-V140 HydrophobicContact CD1-CG2 4.2Å |
| 118 | D | 94.8 | Very high | 92.5 | Very high | 63 Ų | 63 | 80.8 Ų | 80.8 | 34% | 0.337 | 38% | 0.383 | S | S | . | . | trans | -79.8 | 115.3 | 168.3 | -175.2 | -24.8 | 0 | 0 | 0 | 109.3 | D114 V116 E120 L121 I122 | D114-D118 PolarHBondContact O-N 2.98Å; V116-D118 VanDerWaalsContact C-N 3.34Å; V116-D118 PolarHBondContact O-N 3.39Å; D118-E120 PolarHBondContact OD1-N 3.11Å; D118-L121 HydrophobicContact CB-CB 3.92Å; D118-L121 PolarHBondContact O-N 2.67Å; D118-L121 PolarHBondContact OD1-N 2.97Å; D118-I122 WeakPolarHBondContact O-CB 3.45Å; D118-I122 WeakPolarHBondContact O-CD1 3.25Å; D118-I122 VanDerWaalsContact O-CG1 3.24Å; D118-I122 WeakPolarHBondContact O-CG1 3.47Å; D118-I122 PolarHBondContact O-N 3.11Å | ||
| 119 | M | 92.9 | Very high | 92.2 | Very high | 21 Ų | 21 | 73.7 Ų | 73.7 | 10% | 0.103 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -71 | -31.1 | -176.3 | -67.5 | -51.8 | 102 | 0 | 0 | 113.1 | Q92 K95 L117 I122 Q123 | Q92-M119 HydrophobicContact CB-CG 4.43Å; Q92-M119 HydrophobicContact CB-SD 3.8Å; K95-M119 HydrophobicContact CD-CE 4.16Å; L117-M119 HydrophobicContact CB-CE 3.83Å; L117-M119 WeakPolarHBondContact O-CE 3.43Å; M119-I122 HydrophobicContact CE-CD1 3.61Å; M119-I122 PolarHBondContact O-N 3.47Å; M119-I122 HydrophobicContact SD-CD1 4.47Å; M119-Q123 WeakPolarHBondContact O-CB 3.31Å; M119-Q123 VanDerWaalsContact O-CG 3.27Å; M119-Q123 WeakPolarHBondContact O-CG 3.43Å; M119-Q123 PolarHBondContact O-N 2.85Å |
| 120 | E | 92.8 | Very high | 92.1 | Very high | 145 Ų | 145 | 74.7 Ų | 74.7 | 68% | 0.678 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -67.6 | -44.6 | 177.4 | -64.3 | -174.3 | -179.1 | 0 | 0 | 109.4 | D118 Q123 Q124 | D118-E120 PolarHBondContact OD1-N 3.11Å; E120-Q123 PolarHBondContact O-N 3.29Å; E120-Q124 WeakPolarHBondContact O-CG 3.37Å; E120-Q124 PolarHBondContact O-N 3.13Å |
| 121 | L | 93.3 | Very high | 91.9 | Very high | 76 Ų | 76 | 70.7 Ų | 70.7 | 40% | 0.398 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 176 | -175.6 | 63.5 | 0 | 0 | 0 | 112.1 | D118 Q123 Q124 Q125 | D118-L121 HydrophobicContact CB-CB 3.92Å; D118-L121 PolarHBondContact O-N 2.67Å; D118-L121 PolarHBondContact OD1-N 2.97Å; L121-Q123 PolarHBondContact O-N 3.44Å; L121-Q124 WeakPolarHBondContact O-CB 3.41Å; L121-Q124 PolarHBondContact O-N 3.37Å; L121-Q125 WeakPolarHBondContact O-CG 3.38Å; L121-Q125 PolarHBondContact O-N 2.92Å |
| 122 | I | 93.3 | Very high | 91.7 | Very high | 2 Ų | 2 | 71.3 Ų | 71.3 | 1% | 0.01 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63 | -42.2 | 177.6 | -75.3 | 166.2 | 0 | 0 | 0 | 110.8 | V88 L91 L117 D118 M119 Q124 Q125 V126 L131 L136 | V88-I122 HydrophobicContact CG1-CG2 4.49Å; V88-I122 HydrophobicContact CG2-CG2 3.98Å; L91-I122 HydrophobicContact CD1-CD1 4.49Å; L91-I122 HydrophobicContact CD1-CG2 4.24Å; L117-I122 HydrophobicContact CD2-CD1 4.31Å; D118-I122 WeakPolarHBondContact O-CB 3.45Å; D118-I122 WeakPolarHBondContact O-CD1 3.25Å; D118-I122 VanDerWaalsContact O-CG1 3.24Å; D118-I122 WeakPolarHBondContact O-CG1 3.47Å; D118-I122 PolarHBondContact O-N 3.11Å; M119-I122 HydrophobicContact CE-CD1 3.61Å; M119-I122 PolarHBondContact O-N 3.47Å; M119-I122 HydrophobicContact SD-CD1 4.47Å; I122-Q124 VanDerWaalsContact C-N 3.34Å; I122-Q124 PolarHBondContact O-N 3.28Å; I122-Q125 PolarHBondContact O-N 3.14Å; I122-V126 WeakPolarHBondContact O-CG2 3.47Å; I122-V126 PolarHBondContact O-N 2.96Å; I122-L131 HydrophobicContact CG2-CD1 3.98Å; I122-L136 HydrophobicContact CD1-CD1 3.99Å; I122-L136 HydrophobicContact CG1-CD1 4.2Å |
| 123 | Q | 91.3 | Very high | 91.5 | Very high | 103 Ų | 103 | 67.7 Ų | 67.7 | 48% | 0.481 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.4 | -40.7 | 175.5 | -75.8 | 178.4 | 12.9 | 0 | 0 | 112.1 | V88 M119 E120 L121 V126 Q127 | V88-Q123 HydrophobicContact CG1-CG 4.22Å; M119-Q123 WeakPolarHBondContact O-CB 3.31Å; M119-Q123 VanDerWaalsContact O-CG 3.27Å; M119-Q123 WeakPolarHBondContact O-CG 3.43Å; M119-Q123 PolarHBondContact O-N 2.85Å; E120-Q123 PolarHBondContact O-N 3.29Å; L121-Q123 PolarHBondContact O-N 3.44Å; Q123-V126 PolarHBondContact O-N 3.37Å; Q123-Q127 WeakPolarHBondContact O-CG 3.37Å; Q123-Q127 PolarHBondContact O-N 3.01Å; Q123-Q127 VanDerWaalsContact O-N 3.08Å |
| 124 | Q | 91.7 | Very high | 91.3 | Very high | 104 Ų | 104 | 71.9 Ų | 71.9 | 49% | 0.486 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 173.9 | -70.3 | 172.5 | 4.7 | 0 | 0 | 111.7 | E120 L121 I122 V126 Q127 H128 | E120-Q124 WeakPolarHBondContact O-CG 3.37Å; E120-Q124 PolarHBondContact O-N 3.13Å; L121-Q124 WeakPolarHBondContact O-CB 3.41Å; L121-Q124 PolarHBondContact O-N 3.37Å; I122-Q124 VanDerWaalsContact C-N 3.34Å; I122-Q124 PolarHBondContact O-N 3.28Å; Q124-V126 VanDerWaalsContact C-N 3.29Å; Q124-V126 PolarHBondContact O-N 3.46Å; Q124-Q127 PolarHBondContact O-N 3.38Å; Q124-H128 PolarHBondContact O-CD2 3.47Å; Q124-H128 PolarHBondContact O-N 2.95Å; Q124-H128 VanDerWaalsContact O-N 3.16Å |
| 125 | Q | 91.2 | Very high | 91.3 | Very high | 51 Ų | 51 | 77 Ų | 77 | 24% | 0.238 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.6 | -37.5 | 176.5 | -72.4 | 173 | -0.5 | 0 | 0 | 112.3 | L121 I122 H128 G129 A130 L131 | L121-Q125 WeakPolarHBondContact O-CG 3.38Å; L121-Q125 PolarHBondContact O-N 2.92Å; I122-Q125 PolarHBondContact O-N 3.14Å; Q125-H128 PolarHBondContact O-N 3.23Å; Q125-G129 PolarHBondContact O-N 3.19Å; Q125-G129 VanDerWaalsContact O-N 3.09Å; Q125-A130 PolarHBondContact O-N 2.94Å; Q125-L131 HydrophobicContact CB-CB 4.29Å; Q125-L131 HydrophobicContact CB-CD1 4.33Å; Q125-L131 PolarHBondContact O-N 3.02Å |
| 126 | V | 91.3 | Very high | 91.3 | Very high | 39 Ų | 39 | 71.3 Ų | 71.3 | 24% | 0.236 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.3 | -46.9 | 174.1 | 169.2 | 0 | 0 | 0 | 0 | 111.4 | Y84 V88 I122 Q123 Q124 H128 G129 L131 | Y84-V126 HydrophobicContact CD2-CG1 4.14Å; Y84-V126 HydrophobicContact CD2-CG2 4.29Å; Y84-V126 HydrophobicContact CG-CG1 4.48Å; Y84-V126 HydrophobicContact CG-CG2 4.16Å; V88-V126 HydrophobicContact CG2-CG2 3.92Å; I122-V126 WeakPolarHBondContact O-CG2 3.47Å; I122-V126 PolarHBondContact O-N 2.96Å; Q123-V126 PolarHBondContact O-N 3.37Å; Q124-V126 VanDerWaalsContact C-N 3.29Å; Q124-V126 PolarHBondContact O-N 3.46Å; V126-H128 PolarHBondContact O-N 3.02Å; V126-G129 PolarHBondContact O-N 3.44Å; V126-G129 VanDerWaalsContact O-N 3.09Å; V126-L131 HydrophobicContact CG2-CB 4.18Å; V126-L131 HydrophobicContact CG2-CD2 3.64Å; V126-L131 HydrophobicContact CG2-CG 4.37Å |
| 127 | Q | 88.8 | Confident | 91.3 | Very high | 148 Ų | 148 | 69 Ų | 69 | 69% | 0.692 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -61 | -30.2 | -179.7 | -70 | 171.9 | 11.3 | 0 | 0 | 112.9 | Q123 Q124 | Q123-Q127 WeakPolarHBondContact O-CG 3.37Å; Q123-Q127 PolarHBondContact O-N 3.01Å; Q123-Q127 VanDerWaalsContact O-N 3.08Å; Q124-Q127 PolarHBondContact O-N 3.38Å |
| 128 | H | 89 | Confident | 91.4 | Very high | 155 Ų | 155 | 70.2 Ų | 70.2 | 72% | 0.718 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | 5.6 | 178.5 | -66.3 | -62.6 | 0 | 0 | 0 | 114.2 | Q124 Q125 V126 A130 | Q124-H128 PolarHBondContact O-CD2 3.47Å; Q124-H128 PolarHBondContact O-N 2.95Å; Q124-H128 VanDerWaalsContact O-N 3.16Å; Q125-H128 PolarHBondContact O-N 3.23Å; V126-H128 PolarHBondContact O-N 3.02Å; H128-A130 VanDerWaalsContact C-N 3.26Å; H128-A130 PolarHBondContact O-N 3.48Å |
| 129 | G | 85.1 | Confident | 91.4 | Very high | 66 Ų | 66 | 69.3 Ų | 69.3 | 68% | 0.68 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | 25.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q125 V126 | Q125-G129 PolarHBondContact O-N 3.19Å; Q125-G129 VanDerWaalsContact O-N 3.09Å; V126-G129 PolarHBondContact O-N 3.44Å; V126-G129 VanDerWaalsContact O-N 3.09Å |
| 130 | A | 89.3 | Confident | 91.5 | Very high | 67 Ų | 67 | 68.4 Ų | 68.4 | 55% | 0.554 | 36% | 0.357 | S | S | * | . | trans | -109.3 | 6.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q125 H128 D132 | Q125-A130 PolarHBondContact O-N 2.94Å; H128-A130 VanDerWaalsContact C-N 3.26Å; H128-A130 PolarHBondContact O-N 3.48Å; A130-D132 PolarHBondContact O-N 3.33Å | ||
| 131 | L | 89.9 | Confident | 91.6 | Very high | 15 Ų | 15 | 61.9 Ų | 61.9 | 8% | 0.079 | 33% | 0.326 | C | S | . | . | trans | -69.3 | 128.8 | -178.6 | -176.1 | 69 | 0 | 0 | 0 | 111.3 | Y84 I122 Q125 V126 L133 L136 | Y84-L131 HydrophobicContact CD1-CD2 3.75Å; Y84-L131 HydrophobicContact CE1-CD2 4.22Å; Y84-L131 HydrophobicContact CG-CD2 3.95Å; I122-L131 HydrophobicContact CG2-CD1 3.98Å; Q125-L131 HydrophobicContact CB-CB 4.29Å; Q125-L131 HydrophobicContact CB-CD1 4.33Å; Q125-L131 PolarHBondContact O-N 3.02Å; V126-L131 HydrophobicContact CG2-CB 4.18Å; V126-L131 HydrophobicContact CG2-CD2 3.64Å; V126-L131 HydrophobicContact CG2-CG 4.37Å; L131-L133 HydrophobicContact CD2-CD2 3.82Å; L131-L133 HydrophobicContact CD2-CG 4.29Å; L131-L133 HydrophobicContact CG-CD2 4.36Å; L131-L136 HydrophobicContact CD1-CD1 3.81Å | ||
| 132 | D | 89.9 | Confident | 91.7 | Very high | 77 Ų | 77 | 62.5 Ų | 62.5 | 41% | 0.412 | 33% | 0.33 | S | S | . | . | trans | -113.4 | 98.6 | 173.9 | -177.2 | -12.5 | 0 | 0 | 0 | 110.6 | A130 H134 R135 L136 | A130-D132 PolarHBondContact O-N 3.33Å; D132-H134 VanDerWaalsContact C-N 3.32Å; D132-H134 PolarHBondContact O-N 3.15Å; D132-H134 WeakPolarHBondContact OD1-CB 3.48Å; D132-H134 PolarHBondContact OD1-N 3.07Å; D132-R135 HydrophobicContact CB-CB 4.03Å; D132-R135 PolarHBondContact O-N 3.33Å; D132-R135 PolarHBondContact OD1-N 3.34Å; D132-R135 WeakPolarHBondContact OD2-CB 3.31Å; D132-L136 PolarHBondContact O-N 2.89Å | ||
| 133 | L | 89 | Confident | 91.7 | Very high | 20 Ų | 20 | 62.8 Ų | 62.8 | 11% | 0.105 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.2 | -32.9 | 178.6 | -69.1 | 177.1 | 0 | 0 | 0 | 112.7 | L77 Y84 A87 L91 L131 L136 A137 P165 | L77-L133 HydrophobicContact CD1-CD1 4.38Å; L77-L133 HydrophobicContact CD2-CD1 4.32Å; Y84-L133 HydrophobicContact CD1-CD1 4.2Å; Y84-L133 HydrophobicContact CE1-CD1 3.9Å; Y84-L133 HydrophobicContact CE1-CG 4.31Å; A87-L133 HydrophobicContact CB-CD2 4.5Å; L91-L133 HydrophobicContact CD1-CD2 4.07Å; L131-L133 HydrophobicContact CD2-CD2 3.82Å; L131-L133 HydrophobicContact CD2-CG 4.29Å; L131-L133 HydrophobicContact CG-CD2 4.36Å; L133-L136 PolarHBondContact O-N 2.88Å; L133-A137 WeakPolarHBondContact O-CB 3.47Å; L133-A137 PolarHBondContact O-N 3.4Å; L133-P165 HydrophobicContact CD1-CB 4.06Å |
| 134 | H | 90.9 | Very high | 91.9 | Very high | 91 Ų | 91 | 57.9 Ų | 57.9 | 42% | 0.421 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69.8 | -39.8 | -179.5 | -72.8 | -67.6 | 0 | 0 | 0 | 111.6 | D132 A137 G138 K163 | D132-H134 VanDerWaalsContact C-N 3.32Å; D132-H134 PolarHBondContact O-N 3.15Å; D132-H134 WeakPolarHBondContact OD1-CB 3.48Å; D132-H134 PolarHBondContact OD1-N 3.07Å; H134-A137 PolarHBondContact O-N 3.48Å; H134-G138 PolarHBondContact O-N 3.08Å; H134-K163 PolarHBondContact CE1-O 3.1Å |
| 135 | R | 92.8 | Very high | 91.9 | Very high | 185 Ų | 185 | 54.9 Ų | 54.9 | 70% | 0.698 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -62.1 | -46.6 | 174.7 | -179.7 | -178.8 | 171.9 | -160.5 | -3.9 | 111.7 | D132 G138 F139 | D132-R135 HydrophobicContact CB-CB 4.03Å; D132-R135 PolarHBondContact O-N 3.33Å; D132-R135 PolarHBondContact OD1-N 3.34Å; D132-R135 WeakPolarHBondContact OD2-CB 3.31Å; R135-G138 PolarHBondContact O-N 2.94Å; R135-F139 PolarHBondContact O-N 3.49Å; R135-F139 VanDerWaalsContact O-N 3.13Å |
| 136 | L | 93.6 | Very high | 92 | Very high | 13 Ų | 13 | 56 Ų | 56 | 7% | 0.068 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.6 | -44.7 | 178.1 | -66.4 | 179.6 | 0 | 0 | 0 | 111.4 | L91 V116 L117 I122 L131 D132 L133 G138 F139 V140 | L91-L136 HydrophobicContact CD1-CD1 3.83Å; L91-L136 HydrophobicContact CD2-CB 4.44Å; L91-L136 HydrophobicContact CD2-CD1 4.34Å; V116-L136 HydrophobicContact CG1-CD2 4.32Å; L117-L136 HydrophobicContact CD2-CD2 4.11Å; I122-L136 HydrophobicContact CD1-CD1 3.99Å; I122-L136 HydrophobicContact CG1-CD1 4.2Å; L131-L136 HydrophobicContact CD1-CD1 3.81Å; D132-L136 PolarHBondContact O-N 2.89Å; L133-L136 PolarHBondContact O-N 2.88Å; L136-G138 VanDerWaalsContact C-N 3.32Å; L136-G138 PolarHBondContact O-N 2.96Å; L136-F139 WeakPolarHBondContact O-CB 3.34Å; L136-F139 PolarHBondContact O-N 2.84Å; L136-V140 WeakPolarHBondContact O-CG2 3.4Å; L136-V140 PolarHBondContact O-N 2.96Å |
| 137 | A | 93.4 | Very high | 91.9 | Very high | 7 Ų | 7 | 56.1 Ų | 56.1 | 6% | 0.058 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.2 | -40.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L133 H134 F139 V140 I141 L168 I172 | L133-A137 WeakPolarHBondContact O-CB 3.47Å; L133-A137 PolarHBondContact O-N 3.4Å; H134-A137 PolarHBondContact O-N 3.48Å; A137-F139 VanDerWaalsContact C-N 3.34Å; A137-F139 PolarHBondContact O-N 3.33Å; A137-V140 PolarHBondContact O-N 3.48Å; A137-I141 WeakPolarHBondContact O-CB 3.41Å; A137-I141 WeakPolarHBondContact O-CD1 3.38Å; A137-I141 WeakPolarHBondContact O-CG1 3.36Å; A137-I141 PolarHBondContact O-N 3.37Å; A137-L168 HydrophobicContact CB-CD2 3.44Å; A137-L168 VanDerWaalsContact CB-CD2 3.44Å; A137-L168 HydrophobicContact CB-CG 3.98Å; A137-I172 HydrophobicContact CB-CD1 3.92Å |
| 138 | G | 94.3 | Very high | 91.9 | Very high | 26 Ų | 26 | 50 Ų | 50 | 27% | 0.268 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.3 | -42.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | H134 R135 L136 N142 | H134-G138 PolarHBondContact O-N 3.08Å; R135-G138 PolarHBondContact O-N 2.94Å; L136-G138 VanDerWaalsContact C-N 3.32Å; L136-G138 PolarHBondContact O-N 2.96Å; G138-N142 WeakPolarHBondContact O-CB 3.2Å; G138-N142 PolarHBondContact O-N 3.44Å; G138-N142 PolarHBondContact O-ND2 3.04Å; G138-N142 VanDerWaalsContact O-ND2 3.1Å |
| 139 | F | 94.9 | Very high | 91.9 | Very high | 45 Ų | 45 | 44.6 Ų | 44.6 | 20% | 0.197 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.1 | -48.2 | 172.8 | 173.2 | -98.4 | 0 | 0 | 0 | 111.8 | L113 V116 R135 L136 A137 I141 N142 M143 | L113-F139 HydrophobicContact CD1-CE1 4.19Å; V116-F139 HydrophobicContact CB-CD1 4.03Å; V116-F139 HydrophobicContact CB-CD2 4.3Å; V116-F139 HydrophobicContact CB-CE1 3.8Å; V116-F139 HydrophobicContact CB-CE2 4.07Å; V116-F139 HydrophobicContact CB-CG 4.27Å; V116-F139 HydrophobicContact CB-CZ 3.81Å; V116-F139 HydrophobicContact CG1-CB 4.12Å; V116-F139 HydrophobicContact CG1-CD1 3.59Å; V116-F139 HydrophobicContact CG1-CD2 3.98Å; V116-F139 HydrophobicContact CG1-CE1 3.92Å; V116-F139 HydrophobicContact CG1-CE2 4.28Å; V116-F139 HydrophobicContact CG1-CG 3.62Å; V116-F139 HydrophobicContact CG1-CZ 4.23Å; V116-F139 HydrophobicContact CG2-CD2 4.08Å; V116-F139 HydrophobicContact CG2-CE1 4.37Å; V116-F139 HydrophobicContact CG2-CE2 3.74Å; V116-F139 HydrophobicContact CG2-CZ 3.89Å; R135-F139 PolarHBondContact O-N 3.49Å; R135-F139 VanDerWaalsContact O-N 3.13Å; L136-F139 WeakPolarHBondContact O-CB 3.34Å; L136-F139 PolarHBondContact O-N 2.84Å; A137-F139 VanDerWaalsContact C-N 3.34Å; A137-F139 PolarHBondContact O-N 3.33Å; F139-I141 PolarHBondContact O-N 3.03Å; F139-N142 PolarHBondContact O-N 2.88Å; F139-M143 HydrophobicContact CE1-CE 3.97Å; F139-M143 HydrophobicContact CE2-CE 4.26Å; F139-M143 HydrophobicContact CZ-CE 3.48Å; F139-M143 VanDerWaalsContact CZ-CE 3.48Å; F139-M143 PolarHBondContact O-N 3.29Å |
| 140 | V | 95.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.012 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.4 | -48.5 | 178.2 | 165.9 | 0 | 0 | 0 | 0 | 111.1 | V94 L98 L117 L136 A137 N142 M143 M144 I172 | V94-V140 HydrophobicContact CG1-CB 4.4Å; V94-V140 HydrophobicContact CG1-CG1 3.77Å; V94-V140 HydrophobicContact CG1-CG2 3.69Å; L98-V140 HydrophobicContact CD1-CB 4.49Å; L98-V140 HydrophobicContact CD1-CG1 4.16Å; L98-V140 HydrophobicContact CD1-CG2 4.16Å; L117-V140 HydrophobicContact CD1-CG2 4.2Å; L136-V140 WeakPolarHBondContact O-CG2 3.4Å; L136-V140 PolarHBondContact O-N 2.96Å; A137-V140 PolarHBondContact O-N 3.48Å; V140-N142 VanDerWaalsContact C-N 3.33Å; V140-N142 PolarHBondContact O-N 3.31Å; V140-M143 PolarHBondContact O-N 3.42Å; V140-M144 HydrophobicContact CG1-CG 4.35Å; V140-M144 HydrophobicContact CG1-SD 3.63Å; V140-M144 WeakPolarHBondContact O-CB 3.32Å; V140-M144 VanDerWaalsContact O-CG 3.23Å; V140-M144 WeakPolarHBondContact O-CG 3.31Å; V140-M144 PolarHBondContact O-N 3.35Å; V140-I172 HydrophobicContact CG1-CD1 4.21Å; V140-I172 HydrophobicContact CG1-CG1 4.46Å; V140-I172 HydrophobicContact CG1-CG2 3.73Å |
| 141 | I | 95.3 | Very high | 92.2 | Very high | 7 Ų | 7 | 48.1 Ų | 48.1 | 4% | 0.036 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.8 | -39.4 | 179.3 | -65.8 | 161.7 | 0 | 0 | 0 | 111.2 | A137 F139 M144 A145 V156 L159 R160 L168 I172 | A137-I141 WeakPolarHBondContact O-CB 3.41Å; A137-I141 WeakPolarHBondContact O-CD1 3.38Å; A137-I141 WeakPolarHBondContact O-CG1 3.36Å; A137-I141 PolarHBondContact O-N 3.37Å; F139-I141 PolarHBondContact O-N 3.03Å; I141-M144 PolarHBondContact O-N 3.2Å; I141-A145 WeakPolarHBondContact O-CB 3.44Å; I141-A145 PolarHBondContact O-N 2.86Å; I141-V156 HydrophobicContact CG2-CG1 3.93Å; I141-L159 HydrophobicContact CD1-CB 3.98Å; I141-L159 HydrophobicContact CG1-CB 4.13Å; I141-L159 HydrophobicContact CG1-CD1 4.34Å; I141-R160 HydrophobicContact CG2-CG 3.83Å; I141-L168 HydrophobicContact CD1-CD1 3.91Å; I141-I172 HydrophobicContact CG1-CD1 4.36Å; I141-I172 HydrophobicContact CG1-CG1 4.33Å |
| 142 | N | 94.6 | Very high | 92.4 | Very high | 89 Ų | 89 | 49.4 Ų | 49.4 | 48% | 0.476 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 176.3 | -74.4 | -30.1 | 0 | 0 | 0 | 111.9 | G138 F139 V140 A145 S146 R160 | G138-N142 WeakPolarHBondContact O-CB 3.2Å; G138-N142 PolarHBondContact O-N 3.44Å; G138-N142 PolarHBondContact O-ND2 3.04Å; G138-N142 VanDerWaalsContact O-ND2 3.1Å; F139-N142 PolarHBondContact O-N 2.88Å; V140-N142 VanDerWaalsContact C-N 3.33Å; V140-N142 PolarHBondContact O-N 3.31Å; N142-A145 PolarHBondContact O-N 2.87Å; N142-S146 PolarHBondContact O-N 3.5Å; N142-S146 VanDerWaalsContact O-N 3.16Å; N142-R160 PolarHBondContact OD1-NH2 3.17Å |
| 143 | M | 93.9 | Very high | 92.5 | Very high | 9 Ų | 9 | 49 Ų | 49 | 4% | 0.044 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.8 | -43 | 174.3 | -173.4 | 167.8 | -75.6 | 0 | 0 | 111.1 | L98 L113 F139 V140 A145 S146 L147 | L98-M143 HydrophobicContact CD1-SD 4.21Å; L98-M143 HydrophobicContact CD2-CG 4.31Å; L98-M143 HydrophobicContact CD2-SD 4.48Å; L113-M143 HydrophobicContact CB-CE 4.06Å; L113-M143 HydrophobicContact CB-SD 4.2Å; L113-M143 HydrophobicContact CD1-SD 3.92Å; L113-M143 HydrophobicContact CG-SD 4.46Å; F139-M143 HydrophobicContact CE1-CE 3.97Å; F139-M143 HydrophobicContact CE2-CE 4.26Å; F139-M143 HydrophobicContact CZ-CE 3.48Å; F139-M143 VanDerWaalsContact CZ-CE 3.48Å; F139-M143 PolarHBondContact O-N 3.29Å; V140-M143 PolarHBondContact O-N 3.42Å; M143-A145 VanDerWaalsContact C-N 3.34Å; M143-A145 PolarHBondContact O-N 2.92Å; M143-S146 PolarHBondContact O-N 3.17Å; M143-S146 VanDerWaalsContact O-N 3.11Å; M143-S146 PolarHBondContact O-OG 2.84Å; M143-L147 HydrophobicContact CG-CD1 3.91Å; M143-L147 WeakPolarHBondContact O-CG 3.49Å; M143-L147 PolarHBondContact O-N 3.45Å |
| 144 | M | 94.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.2 | -46.9 | 174 | -70.8 | 165.7 | 67.3 | 0 | 0 | 111.6 | L98 V140 I141 S146 L147 C148 L159 I172 V175 L176 M179 | L98-M144 HydrophobicContact CD2-CG 3.98Å; V140-M144 HydrophobicContact CG1-CG 4.35Å; V140-M144 HydrophobicContact CG1-SD 3.63Å; V140-M144 WeakPolarHBondContact O-CB 3.32Å; V140-M144 VanDerWaalsContact O-CG 3.23Å; V140-M144 WeakPolarHBondContact O-CG 3.31Å; V140-M144 PolarHBondContact O-N 3.35Å; I141-M144 PolarHBondContact O-N 3.2Å; M144-S146 PolarHBondContact O-N 3.41Å; M144-L147 PolarHBondContact O-N 3.26Å; M144-C148 WeakPolarHBondContact O-CB 3.33Å; M144-C148 PolarHBondContact O-N 3.41Å; M144-C148 PolarHBondContact O-SG 3.32Å; M144-C148 VanDerWaalsContact O-SG 3.34Å; M144-L159 HydrophobicContact CE-CD1 3.8Å; M144-I172 HydrophobicContact SD-CG2 4.1Å; M144-V175 HydrophobicContact CE-CB 3.55Å; M144-V175 HydrophobicContact CE-CG1 3.41Å; M144-V175 VanDerWaalsContact CE-CG1 3.41Å; M144-L176 HydrophobicContact CE-CD2 4.23Å; M144-L176 HydrophobicContact CE-CG 4.04Å; M144-L176 HydrophobicContact CG-CD2 3.79Å; M144-L176 HydrophobicContact CG-CG 4.48Å; M144-L176 HydrophobicContact SD-CD2 4Å; M144-L176 HydrophobicContact SD-CG 4.04Å; M144-M179 HydrophobicContact CB-CE 4.2Å; M144-M179 HydrophobicContact CB-SD 3.97Å; M144-M179 HydrophobicContact CE-SD 4.02Å; M144-M179 HydrophobicContact CG-CE 4.39Å; M144-M179 HydrophobicContact CG-SD 4Å |
| 145 | A | 93.7 | Very high | 92.9 | Very high | 40 Ų | 40 | 49.6 Ų | 49.6 | 33% | 0.331 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.3 | -30.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | I141 N142 M143 V156 | I141-A145 WeakPolarHBondContact O-CB 3.44Å; I141-A145 PolarHBondContact O-N 2.86Å; N142-A145 PolarHBondContact O-N 2.87Å; M143-A145 VanDerWaalsContact C-N 3.34Å; M143-A145 PolarHBondContact O-N 2.92Å; A145-V156 HydrophobicContact CB-CG1 3.84Å |
| 146 | S | 91.4 | Very high | 92.9 | Very high | 74 Ų | 74 | 41 Ų | 41 | 52% | 0.517 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -80.9 | -18.5 | 177.5 | 74.2 | 0 | 0 | 0 | 0 | 114.3 | N142 M143 M144 | N142-S146 PolarHBondContact O-N 3.5Å; N142-S146 VanDerWaalsContact O-N 3.16Å; M143-S146 PolarHBondContact O-N 3.17Å; M143-S146 VanDerWaalsContact O-N 3.11Å; M143-S146 PolarHBondContact O-OG 2.84Å; M144-S146 PolarHBondContact O-N 3.41Å |
| 147 | L | 89.6 | Confident | 92.9 | Very high | 43 Ų | 43 | 48.1 Ų | 48.1 | 23% | 0.225 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -111 | -19.1 | -173.6 | -65.6 | 174.3 | 0 | 0 | 0 | 113.5 | L102 L109 M143 M144 M179 | L102-L147 HydrophobicContact CD2-CD1 3.72Å; L102-L147 HydrophobicContact CD2-CD2 3.92Å; L102-L147 HydrophobicContact CD2-CG 4.47Å; L109-L147 HydrophobicContact CD1-CD2 4.12Å; M143-L147 HydrophobicContact CG-CD1 3.91Å; M143-L147 WeakPolarHBondContact O-CG 3.49Å; M143-L147 PolarHBondContact O-N 3.45Å; M144-L147 PolarHBondContact O-N 3.26Å; L147-M179 HydrophobicContact CB-CE 3.94Å |
| 148 | C | 89.6 | Confident | 93 | Very high | 20 Ų | 20 | 50.2 Ų | 50.2 | 14% | 0.135 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -76 | 157.4 | -174.8 | 64.4 | 0 | 0 | 0 | 0 | 112.8 | M144 R152 M179 | M144-C148 WeakPolarHBondContact O-CB 3.33Å; M144-C148 PolarHBondContact O-N 3.41Å; M144-C148 PolarHBondContact O-SG 3.32Å; M144-C148 VanDerWaalsContact O-SG 3.34Å; C148-R152 HydrophobicContact CB-CB 3.97Å; C148-M179 HydrophobicContact CB-CE 3.82Å; C148-M179 HydrophobicContact CB-CG 4.16Å; C148-M179 HydrophobicContact CB-SD 4.11Å |
| 149 | A | 88.8 | Confident | 93 | Very high | 41 Ų | 41 | 49.3 Ų | 49.3 | 34% | 0.339 | 28% | 0.284 | S | S | . | . | trans | -71.8 | 150.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | V151 R152 | A149-V151 HydrophobicContact CB-CG1 4.12Å; A149-V151 PolarHBondContact O-N 2.77Å; A149-R152 WeakPolarHBondContact O-CB 3.48Å; A149-R152 PolarHBondContact O-N 2.96Å | ||
| 150 | P | 90.6 | Very high | 92.8 | Very high | 107 Ų | 107 | 53.9 Ų | 53.9 | 70% | 0.695 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -54.9 | -27.9 | -176.8 | -27.9 | 34.6 | 0 | 0 | 0 | 114.9 | R152 D153 | P150-R152 PolarHBondContact O-N 2.71Å; P150-D153 WeakPolarHBondContact O-CB 3.49Å; P150-D153 PolarHBondContact O-N 3.03Å |
| 151 | V | 90.4 | Very high | 92.6 | Very high | 99 Ų | 99 | 59.7 Ų | 59.7 | 60% | 0.6 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -62.4 | -21 | 176.3 | 69 | 0 | 0 | 0 | 0 | 113.1 | A149 | A149-V151 HydrophobicContact CB-CG1 4.12Å; A149-V151 PolarHBondContact O-N 2.77Å |
| 152 | R | 93.6 | Very high | 92.5 | Very high | 43 Ų | 43 | 62.5 Ų | 62.5 | 16% | 0.162 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -96.8 | -6.9 | -178.3 | -59.1 | -55.9 | -179.8 | -171.3 | -5 | 114.3 | C148 A149 P150 P154 E155 V156 D182 | C148-R152 HydrophobicContact CB-CB 3.97Å; A149-R152 WeakPolarHBondContact O-CB 3.48Å; A149-R152 PolarHBondContact O-N 2.96Å; P150-R152 PolarHBondContact O-N 2.71Å; R152-P154 VanDerWaalsContact C-N 3.29Å; R152-E155 WeakPolarHBondContact CA-OE2 3.27Å; R152-E155 IonicContact CZ-OE1 2.83Å; R152-E155 IonicContact NH1-OE1 3.77Å; R152-E155 PolarHBondContact NH1-OE1 3.27Å; R152-E155 PolarHBondContact O-N 3.06Å; R152-E155 VanDerWaalsContact O-N 3.15Å; R152-V156 WeakPolarHBondContact O-CG2 3.35Å; R152-V156 PolarHBondContact O-N 3.3Å; R152-D182 WeakPolarHBondContact CG-OD2 3.48Å; R152-D182 IonicContact CZ-OD2 2.88Å; R152-D182 IonicContact NE-OD1 3.19Å; R152-D182 IonicContact NE-OD2 2.76Å; R152-D182 PolarHBondContact NE-OD2 2.91Å; R152-D182 IonicContact NH2-OD1 3.99Å; R152-D182 PolarHBondContact NH2-OD1 3.1Å; R152-D182 IonicContact NH2-OD2 3.33Å |
| 153 | D | 92.6 | Very high | 92.2 | Very high | 68 Ų | 68 | 66.4 Ų | 66.4 | 36% | 0.364 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -54.6 | -39.1 | 179.4 | -66.4 | -2.3 | 0 | 0 | 0 | 113 | P150 R157 | P150-D153 WeakPolarHBondContact O-CB 3.49Å; P150-D153 PolarHBondContact O-N 3.03Å; D153-R157 WeakPolarHBondContact O-CB 3.48Å; D153-R157 PolarHBondContact O-N 3.21Å |
| 154 | P | 94.2 | Very high | 92.1 | Very high | 78 Ų | 78 | 71.2 Ų | 71.2 | 51% | 0.506 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 175.4 | -21.8 | 34.9 | 0 | 0 | 0 | 112.9 | R152 R157 A158 | R152-P154 VanDerWaalsContact C-N 3.29Å; P154-R157 PolarHBondContact O-N 3.19Å; P154-A158 PolarHBondContact O-N 2.91Å |
| 155 | E | 93.2 | Very high | 91.8 | Very high | 46 Ų | 46 | 72.8 Ų | 72.8 | 22% | 0.215 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65.6 | -40.9 | 178.6 | -64.5 | 100.5 | 126.9 | 0 | 0 | 111.9 | R152 R157 A158 L159 V175 | R152-E155 WeakPolarHBondContact CA-OE2 3.27Å; R152-E155 IonicContact CZ-OE1 2.83Å; R152-E155 IonicContact NH1-OE1 3.77Å; R152-E155 PolarHBondContact NH1-OE1 3.27Å; R152-E155 PolarHBondContact O-N 3.06Å; R152-E155 VanDerWaalsContact O-N 3.15Å; E155-R157 VanDerWaalsContact C-N 3.31Å; E155-R157 PolarHBondContact O-N 3.27Å; E155-A158 PolarHBondContact O-N 3.43Å; E155-L159 PolarHBondContact O-N 2.95Å; E155-V175 HydrophobicContact CB-CG2 4.01Å |
| 156 | V | 94.1 | Very high | 91.7 | Very high | 4 Ų | 4 | 71.1 Ų | 71.1 | 2% | 0.024 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.4 | -36.2 | 176.8 | 176.4 | 0 | 0 | 0 | 0 | 111.2 | I141 A145 R152 L159 V175 | I141-V156 HydrophobicContact CG2-CG1 3.93Å; A145-V156 HydrophobicContact CB-CG1 3.84Å; R152-V156 WeakPolarHBondContact O-CG2 3.35Å; R152-V156 PolarHBondContact O-N 3.3Å; V156-L159 PolarHBondContact O-N 3.37Å; V156-V175 HydrophobicContact CG2-CG1 3.88Å |
| 157 | R | 93.3 | Very high | 91.8 | Very high | 162 Ų | 162 | 71.6 Ų | 71.6 | 61% | 0.611 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -65.7 | -43.1 | 175 | -169.1 | 179.3 | -59.3 | 144 | 6.5 | 111.5 | D153 P154 E155 L159 R160 | D153-R157 WeakPolarHBondContact O-CB 3.48Å; D153-R157 PolarHBondContact O-N 3.21Å; P154-R157 PolarHBondContact O-N 3.19Å; E155-R157 VanDerWaalsContact C-N 3.31Å; E155-R157 PolarHBondContact O-N 3.27Å; R157-L159 PolarHBondContact O-N 3.4Å; R157-R160 VanDerWaalsContact O-CB 3.32Å; R157-R160 WeakPolarHBondContact O-CB 3.33Å; R157-R160 PolarHBondContact O-N 3.03Å |
| 158 | A | 94.1 | Very high | 91.9 | Very high | 51 Ų | 51 | 70 Ų | 70 | 42% | 0.421 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.7 | -30.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | P154 E155 R160 D161 | P154-A158 PolarHBondContact O-N 2.91Å; E155-A158 PolarHBondContact O-N 3.43Å; A158-R160 PolarHBondContact O-N 2.93Å; A158-D161 PolarHBondContact O-N 3.47Å |
| 159 | L | 94.1 | Very high | 92 | Very high | 8 Ų | 8 | 69.5 Ų | 69.5 | 4% | 0.042 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.1 | -28.2 | 174.4 | -62.1 | 178.5 | 0 | 0 | 0 | 113 | I141 M144 E155 V156 R157 D161 L162 L168 I172 V175 | I141-L159 HydrophobicContact CD1-CB 3.98Å; I141-L159 HydrophobicContact CG1-CB 4.13Å; I141-L159 HydrophobicContact CG1-CD1 4.34Å; M144-L159 HydrophobicContact CE-CD1 3.8Å; E155-L159 PolarHBondContact O-N 2.95Å; V156-L159 PolarHBondContact O-N 3.37Å; R157-L159 PolarHBondContact O-N 3.4Å; L159-D161 PolarHBondContact O-N 2.95Å; L159-L162 HydrophobicContact CD2-CD1 4.04Å; L159-L162 PolarHBondContact O-N 3.05Å; L159-L168 HydrophobicContact CB-CD1 4.43Å; L159-L168 VanDerWaalsContact O-CD1 3.24Å; L159-L168 WeakPolarHBondContact O-CD1 3.3Å; L159-I172 HydrophobicContact CD1-CG1 4.09Å; L159-V175 HydrophobicContact CD1-CB 4.23Å; L159-V175 HydrophobicContact CD1-CG2 4.02Å; L159-V175 HydrophobicContact CD2-CG2 4.43Å; L159-V175 HydrophobicContact CG-CG2 4.41Å |
| 160 | R | 92 | Very high | 92.2 | Very high | 141 Ų | 141 | 72.6 Ų | 72.6 | 53% | 0.532 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -21.8 | 179.9 | -60.1 | -178.5 | 177.9 | -153.1 | -5.5 | 112.8 | I141 N142 R157 A158 | I141-R160 HydrophobicContact CG2-CG 3.83Å; N142-R160 PolarHBondContact OD1-NH2 3.17Å; R157-R160 VanDerWaalsContact O-CB 3.32Å; R157-R160 WeakPolarHBondContact O-CB 3.33Å; R157-R160 PolarHBondContact O-N 3.03Å; A158-R160 PolarHBondContact O-N 2.93Å |
| 161 | D | 91.6 | Very high | 92.3 | Very high | 123 Ų | 123 | 68.1 Ų | 68.1 | 66% | 0.658 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -12.2 | -178.2 | -58.8 | -37.4 | 0 | 0 | 0 | 112.2 | A158 L159 | A158-D161 PolarHBondContact O-N 3.47Å; L159-D161 PolarHBondContact O-N 2.95Å |
| 162 | L | 91.8 | Very high | 92.5 | Very high | 66 Ų | 66 | 63.5 Ų | 63.5 | 35% | 0.346 | 31% | 0.306 | S | S | . | . | trans | -78.3 | 122.4 | 180 | -62.2 | 176.2 | 0 | 0 | 0 | 111.3 | L159 L168 | L159-L162 HydrophobicContact CD2-CD1 4.04Å; L159-L162 PolarHBondContact O-N 3.05Å; L162-L168 HydrophobicContact CB-CB 4.28Å; L162-L168 HydrophobicContact CB-CD1 4.17Å | ||
| 163 | K | 89.4 | Confident | 92.5 | Very high | 172 Ų | 172 | 63.2 Ų | 63.2 | 75% | 0.748 | 31% | 0.306 | S | S | * | . | trans | -99.6 | -24.6 | 180 | -62.1 | -174.8 | -177.4 | -179.6 | 0 | 114.1 | H134 | H134-K163 PolarHBondContact CE1-O 3.1Š| ||
| 164 | E | 91.7 | Very high | 92.5 | Very high | 109 Ų | 109 | 67.4 Ų | 67.4 | 51% | 0.509 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -81.1 | 124.4 | 179.6 | -64.9 | -55.9 | 122.2 | 0 | 0 | 109.9 | V166 E167 L168 | E164-V166 VanDerWaalsContact C-N 3.3Å; E164-V166 PolarHBondContact O-N 3.17Å; E164-E167 HydrophobicContact CB-CB 4.22Å; E164-E167 HydrophobicContact CB-CG 4.34Å; E164-E167 PolarHBondContact O-N 3.31Å; E164-L168 WeakPolarHBondContact O-CB 3.38Å; E164-L168 PolarHBondContact O-N 3.25Å |
| 165 | P | 88.9 | Confident | 92.5 | Very high | 34 Ų | 34 | 63.8 Ų | 63.8 | 22% | 0.221 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.4 | -38.1 | -175.1 | -27.5 | 34.5 | 0 | 0 | 0 | 114.4 | L77 L133 L169 | L77-P165 HydrophobicContact CD1-CB 4.23Å; L133-P165 HydrophobicContact CD1-CB 4.06Å; P165-L169 WeakPolarHBondContact O-CB 3.45Å; P165-L169 WeakPolarHBondContact O-CG 3.26Å; P165-L169 PolarHBondContact O-N 2.77Å |
| 166 | V | 91.8 | Very high | 92.4 | Very high | 4 Ų | 4 | 61.6 Ų | 61.6 | 2% | 0.024 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.3 | -48.7 | -179.9 | 176.1 | 0 | 0 | 0 | 0 | 111.2 | W70 L73 Q74 L77 E164 L168 L169 R170 | W70-V166 HydrophobicContact CB-CG1 4.2Å; W70-V166 HydrophobicContact CD2-CG1 4.49Å; W70-V166 HydrophobicContact CE3-CG1 3.86Å; L73-V166 HydrophobicContact CD2-CG1 4.36Å; L73-V166 HydrophobicContact CD2-CG2 4.09Å; L73-V166 HydrophobicContact CG-CG2 4.06Å; Q74-V166 HydrophobicContact CB-CG2 4.09Å; L77-V166 HydrophobicContact CD1-CG2 3.81Å; E164-V166 VanDerWaalsContact C-N 3.3Å; E164-V166 PolarHBondContact O-N 3.17Å; V166-L168 VanDerWaalsContact C-N 3.27Å; V166-L168 PolarHBondContact O-N 2.86Å; V166-L169 PolarHBondContact O-N 3.19Å; V166-R170 VanDerWaalsContact O-CB 3.29Å; V166-R170 WeakPolarHBondContact O-CB 3.43Å; V166-R170 PolarHBondContact O-N 3.02Å |
| 167 | E | 91.6 | Very high | 92.3 | Very high | 85 Ų | 85 | 63.2 Ų | 63.2 | 40% | 0.397 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.6 | -35.7 | 177.1 | -70.3 | -58.8 | 129.1 | 0 | 0 | 111.7 | E164 R170 G171 | E164-E167 HydrophobicContact CB-CB 4.22Å; E164-E167 HydrophobicContact CB-CG 4.34Å; E164-E167 PolarHBondContact O-N 3.31Å; E167-R170 IonicContact OE1-NH1 3.24Å; E167-G171 PolarHBondContact O-N 3.33Å |
| 168 | L | 93.6 | Very high | 92.2 | Very high | 8 Ų | 8 | 57.1 Ų | 57.1 | 4% | 0.042 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.5 | -50.6 | 174.7 | -180 | 56.5 | 0 | 0 | 0 | 112 | A137 I141 L159 L162 E164 V166 G171 I172 | A137-L168 HydrophobicContact CB-CD2 3.44Å; A137-L168 VanDerWaalsContact CB-CD2 3.44Å; A137-L168 HydrophobicContact CB-CG 3.98Å; I141-L168 HydrophobicContact CD1-CD1 3.91Å; L159-L168 HydrophobicContact CB-CD1 4.43Å; L159-L168 VanDerWaalsContact O-CD1 3.24Å; L159-L168 WeakPolarHBondContact O-CD1 3.3Å; L162-L168 HydrophobicContact CB-CB 4.28Å; L162-L168 HydrophobicContact CB-CD1 4.17Å; E164-L168 WeakPolarHBondContact O-CB 3.38Å; E164-L168 PolarHBondContact O-N 3.25Å; V166-L168 VanDerWaalsContact C-N 3.27Å; V166-L168 PolarHBondContact O-N 2.86Å; L168-G171 PolarHBondContact O-N 2.93Å; L168-I172 HydrophobicContact CD1-CD1 4.17Å; L168-I172 HydrophobicContact CD1-CG1 4.46Å; L168-I172 HydrophobicContact CG-CD1 4.12Å; L168-I172 VanDerWaalsContact O-CG1 3.3Å; L168-I172 WeakPolarHBondContact O-CG1 3.46Å; L168-I172 PolarHBondContact O-N 3.49Å |
| 169 | L | 91.8 | Very high | 92.1 | Very high | 10 Ų | 10 | 55.1 Ų | 55.1 | 5% | 0.052 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.2 | -47.5 | 175.9 | -74.4 | 171.2 | 0 | 0 | 0 | 110.8 | W70 L73 L90 P165 V166 G171 I172 F173 | W70-L169 HydrophobicContact CZ3-CB 4.25Å; L73-L169 HydrophobicContact CD2-CD1 4.3Å; L90-L169 HydrophobicContact CD1-CD1 4.24Å; P165-L169 WeakPolarHBondContact O-CB 3.45Å; P165-L169 WeakPolarHBondContact O-CG 3.26Å; P165-L169 PolarHBondContact O-N 2.77Å; V166-L169 PolarHBondContact O-N 3.19Å; L169-G171 VanDerWaalsContact C-N 3.3Å; L169-G171 PolarHBondContact O-N 3.48Å; L169-I172 WeakPolarHBondContact O-CB 3.47Å; L169-I172 PolarHBondContact O-N 3.29Å; L169-I172 VanDerWaalsContact O-N 3.12Å; L169-F173 WeakPolarHBondContact O-CD2 3.3Å; L169-F173 PolarHBondContact O-N 2.93Å |
| 170 | R | 92.2 | Very high | 91.9 | Very high | 106 Ų | 106 | 60.2 Ų | 60.2 | 40% | 0.4 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -55.6 | -45.1 | 176.3 | -175.2 | -178.9 | -178 | -178 | 6.2 | 112 | W70 V166 E167 F173 R174 | W70-R170 HydrophobicContact CD2-CB 4.26Å; W70-R170 HydrophobicContact CD2-CG 4.36Å; W70-R170 HydrophobicContact CE3-CB 4.4Å; W70-R170 HydrophobicContact CH2-CB 4.08Å; W70-R170 HydrophobicContact CZ2-CB 3.95Å; W70-R170 HydrophobicContact CZ2-CG 4.01Å; W70-R170 HydrophobicContact CZ3-CB 4.3Å; V166-R170 VanDerWaalsContact O-CB 3.29Å; V166-R170 WeakPolarHBondContact O-CB 3.43Å; V166-R170 PolarHBondContact O-N 3.02Å; E167-R170 IonicContact OE1-NH1 3.24Å; R170-F173 PolarHBondContact O-N 3.37Å; R170-R174 PolarHBondContact O-N 2.99Å; R170-R174 VanDerWaalsContact O-N 3.07Å |
| 171 | G | 93.3 | Very high | 91.8 | Very high | 13 Ų | 13 | 54.4 Ų | 54.4 | 13% | 0.134 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E167 L168 L169 R174 V175 | E167-G171 PolarHBondContact O-N 3.33Å; L168-G171 PolarHBondContact O-N 2.93Å; L169-G171 VanDerWaalsContact C-N 3.3Å; L169-G171 PolarHBondContact O-N 3.48Å; G171-R174 PolarHBondContact O-N 2.89Å; G171-V175 WeakPolarHBondContact O-CG2 3.49Å; G171-V175 PolarHBondContact O-N 3.3Å |
| 172 | I | 94.7 | Very high | 91.7 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.8 | -50.1 | 176.5 | -74.1 | 166.5 | 0 | 0 | 0 | 110.6 | V94 A137 V140 I141 M144 L159 L168 L169 R174 V175 L176 | V94-I172 HydrophobicContact CG1-CG2 4.47Å; V94-I172 HydrophobicContact CG2-CG2 4.04Å; A137-I172 HydrophobicContact CB-CD1 3.92Å; V140-I172 HydrophobicContact CG1-CD1 4.21Å; V140-I172 HydrophobicContact CG1-CG1 4.46Å; V140-I172 HydrophobicContact CG1-CG2 3.73Å; I141-I172 HydrophobicContact CG1-CD1 4.36Å; I141-I172 HydrophobicContact CG1-CG1 4.33Å; M144-I172 HydrophobicContact SD-CG2 4.1Å; L159-I172 HydrophobicContact CD1-CG1 4.09Å; L168-I172 HydrophobicContact CD1-CD1 4.17Å; L168-I172 HydrophobicContact CD1-CG1 4.46Å; L168-I172 HydrophobicContact CG-CD1 4.12Å; L168-I172 VanDerWaalsContact O-CG1 3.3Å; L168-I172 WeakPolarHBondContact O-CG1 3.46Å; L168-I172 PolarHBondContact O-N 3.49Å; L169-I172 WeakPolarHBondContact O-CB 3.47Å; L169-I172 PolarHBondContact O-N 3.29Å; L169-I172 VanDerWaalsContact O-N 3.12Å; I172-R174 VanDerWaalsContact C-N 3.34Å; I172-R174 PolarHBondContact O-N 3.45Å; I172-V175 PolarHBondContact O-N 3.33Å; I172-L176 HydrophobicContact CG2-CD1 3.63Å; I172-L176 HydrophobicContact CG2-CG 4.22Å; I172-L176 WeakPolarHBondContact O-CB 3.31Å; I172-L176 WeakPolarHBondContact O-CG 3.32Å; I172-L176 PolarHBondContact O-N 3.26Å |
| 173 | F | 92.8 | Very high | 91.5 | Very high | 38 Ų | 38 | 49.9 Ų | 49.9 | 17% | 0.167 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.9 | -43.3 | 178.8 | -89.8 | -96.4 | 0 | 0 | 0 | 112.4 | W70 L90 E93 V94 M97 L169 R170 V175 L176 G177 | W70-F173 HydrophobicContact CH2-CD2 4.39Å; L90-F173 HydrophobicContact CB-CE2 3.92Å; L90-F173 HydrophobicContact CB-CZ 4.05Å; L90-F173 HydrophobicContact CD2-CE1 4.22Å; L90-F173 HydrophobicContact CD2-CE2 3.67Å; L90-F173 HydrophobicContact CD2-CZ 3.47Å; L90-F173 VanDerWaalsContact CD2-CZ 3.47Å; L90-F173 HydrophobicContact CG-CE2 4.32Å; L90-F173 HydrophobicContact CG-CZ 4.37Å; L90-F173 WeakPolarHBondContact O-CZ 3.25Å; E93-F173 HydrophobicContact CB-CE1 3.94Å; E93-F173 HydrophobicContact CB-CZ 3.8Å; E93-F173 VanDerWaalsContact OE2-CE1 3.29Å; E93-F173 WeakPolarHBondContact OE2-CE1 3.45Å; V94-F173 HydrophobicContact CG2-CD2 4.1Å; V94-F173 HydrophobicContact CG2-CE2 3.48Å; V94-F173 VanDerWaalsContact CG2-CE2 3.48Å; V94-F173 HydrophobicContact CG2-CZ 3.83Å; M97-F173 HydrophobicContact CE-CD1 3.31Å; M97-F173 HydrophobicContact CE-CE1 3.23Å; M97-F173 HydrophobicContact CE-CG 4.07Å; M97-F173 HydrophobicContact CE-CZ 3.93Å; M97-F173 HydrophobicContact SD-CD1 4.41Å; L169-F173 WeakPolarHBondContact O-CD2 3.3Å; L169-F173 PolarHBondContact O-N 2.93Å; R170-F173 PolarHBondContact O-N 3.37Å; F173-V175 PolarHBondContact O-N 3Å; F173-L176 PolarHBondContact O-N 3.03Å; F173-G177 PolarHBondContact O-N 3.45Å |
| 174 | R | 92.1 | Very high | 91.5 | Very high | 156 Ų | 156 | 44 Ų | 44 | 59% | 0.589 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -58.1 | -50.1 | 176.3 | 177.1 | 178.9 | 171.1 | -94.4 | -1.8 | 111.1 | R170 G171 I172 G177 L178 | R170-R174 PolarHBondContact O-N 2.99Å; R170-R174 VanDerWaalsContact O-N 3.07Å; G171-R174 PolarHBondContact O-N 2.89Å; I172-R174 VanDerWaalsContact C-N 3.34Å; I172-R174 PolarHBondContact O-N 3.45Å; R174-G177 PolarHBondContact O-N 2.97Å; R174-L178 WeakPolarHBondContact O-CG 3.5Å; R174-L178 PolarHBondContact O-N 2.9Å; R174-L178 VanDerWaalsContact O-N 3.16Å |
| 175 | V | 93.7 | Very high | 91.4 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.9 | -38.9 | -178 | 178.5 | 0 | 0 | 0 | 0 | 111.5 | M144 E155 V156 L159 G171 I172 F173 G177 L178 M179 | M144-V175 HydrophobicContact CE-CB 3.55Å; M144-V175 HydrophobicContact CE-CG1 3.41Å; M144-V175 VanDerWaalsContact CE-CG1 3.41Å; E155-V175 HydrophobicContact CB-CG2 4.01Å; V156-V175 HydrophobicContact CG2-CG1 3.88Å; L159-V175 HydrophobicContact CD1-CB 4.23Å; L159-V175 HydrophobicContact CD1-CG2 4.02Å; L159-V175 HydrophobicContact CD2-CG2 4.43Å; L159-V175 HydrophobicContact CG-CG2 4.41Å; G171-V175 WeakPolarHBondContact O-CG2 3.49Å; G171-V175 PolarHBondContact O-N 3.3Å; I172-V175 PolarHBondContact O-N 3.33Å; F173-V175 PolarHBondContact O-N 3Å; V175-G177 VanDerWaalsContact C-N 3.31Å; V175-G177 PolarHBondContact O-N 2.93Å; V175-L178 WeakPolarHBondContact O-CB 3.34Å; V175-L178 PolarHBondContact O-N 3.14Å; V175-M179 HydrophobicContact CG1-CG 4.33Å; V175-M179 HydrophobicContact CG1-SD 4.15Å; V175-M179 VanDerWaalsContact O-CG 3.31Å; V175-M179 WeakPolarHBondContact O-CG 3.35Å; V175-M179 PolarHBondContact O-N 3.4Å |
| 176 | L | 93.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.1 | -39.9 | 173.2 | -75.5 | 173.7 | 0 | 0 | 0 | 112.3 | V94 M97 L98 L101 M144 I172 F173 L178 M179 K180 | V94-L176 HydrophobicContact CB-CD1 4.44Å; V94-L176 HydrophobicContact CG1-CD1 4.1Å; V94-L176 HydrophobicContact CG2-CD1 4.16Å; M97-L176 HydrophobicContact CB-CD1 4.31Å; M97-L176 HydrophobicContact CE-CB 4.28Å; M97-L176 HydrophobicContact CE-CD1 3.77Å; M97-L176 HydrophobicContact SD-CB 4.18Å; L98-L176 HydrophobicContact CD2-CD2 3.64Å; L98-L176 HydrophobicContact CG-CD2 4.06Å; L101-L176 HydrophobicContact CD1-CD2 4Å; M144-L176 HydrophobicContact CE-CD2 4.23Å; M144-L176 HydrophobicContact CE-CG 4.04Å; M144-L176 HydrophobicContact CG-CD2 3.79Å; M144-L176 HydrophobicContact CG-CG 4.48Å; M144-L176 HydrophobicContact SD-CD2 4Å; M144-L176 HydrophobicContact SD-CG 4.04Å; I172-L176 HydrophobicContact CG2-CD1 3.63Å; I172-L176 HydrophobicContact CG2-CG 4.22Å; I172-L176 WeakPolarHBondContact O-CB 3.31Å; I172-L176 WeakPolarHBondContact O-CG 3.32Å; I172-L176 PolarHBondContact O-N 3.26Å; F173-L176 PolarHBondContact O-N 3.03Å; L176-L178 VanDerWaalsContact C-N 3.35Å; L176-L178 PolarHBondContact O-N 3.49Å; L176-M179 HydrophobicContact CD2-SD 4.27Å; L176-M179 PolarHBondContact O-N 3.47Å; L176-K180 WeakPolarHBondContact O-CB 3.29Å; L176-K180 PolarHBondContact O-N 3.43Å |
| 177 | G | 90.4 | Very high | 91.2 | Very high | 38 Ų | 38 | 46.9 Ų | 46.9 | 39% | 0.392 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.2 | -42.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F173 R174 V175 K180 S181 | F173-G177 PolarHBondContact O-N 3.45Å; R174-G177 PolarHBondContact O-N 2.97Å; V175-G177 VanDerWaalsContact C-N 3.31Å; V175-G177 PolarHBondContact O-N 2.93Å; G177-K180 PolarHBondContact O-N 3.08Å; G177-S181 PolarHBondContact O-N 2.89Å |
| 178 | L | 91 | Very high | 91.1 | Very high | 34 Ų | 34 | 44 Ų | 44 | 18% | 0.178 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.9 | -46.9 | 174.5 | -65.6 | 170.7 | 0 | 0 | 0 | 111.4 | R174 V175 L176 K180 S181 D182 | R174-L178 WeakPolarHBondContact O-CG 3.5Å; R174-L178 PolarHBondContact O-N 2.9Å; R174-L178 VanDerWaalsContact O-N 3.16Å; V175-L178 WeakPolarHBondContact O-CB 3.34Å; V175-L178 PolarHBondContact O-N 3.14Å; L176-L178 VanDerWaalsContact C-N 3.35Å; L176-L178 PolarHBondContact O-N 3.49Å; L178-K180 VanDerWaalsContact C-N 3.26Å; L178-K180 PolarHBondContact O-N 2.9Å; L178-S181 WeakPolarHBondContact O-CA 3.5Å; L178-S181 WeakPolarHBondContact O-CB 3.36Å; L178-S181 PolarHBondContact O-N 3.37Å; L178-D182 VanDerWaalsContact O-CG 3.22Å; L178-D182 PolarHBondContact O-N 3.45Å |
| 179 | M | 92.1 | Very high | 90.9 | Very high | 9 Ų | 9 | 48.2 Ų | 48.2 | 4% | 0.044 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58 | -37.8 | 176.6 | -70.5 | 172.5 | 69.4 | 0 | 0 | 112.2 | L101 M144 L147 C148 V175 L176 D182 M183 | L101-M179 HydrophobicContact CD1-CB 4.04Å; L101-M179 HydrophobicContact CD1-CE 3.99Å; L101-M179 HydrophobicContact CD2-CB 4.49Å; M144-M179 HydrophobicContact CB-CE 4.2Å; M144-M179 HydrophobicContact CB-SD 3.97Å; M144-M179 HydrophobicContact CE-SD 4.02Å; M144-M179 HydrophobicContact CG-CE 4.39Å; M144-M179 HydrophobicContact CG-SD 4Å; L147-M179 HydrophobicContact CB-CE 3.94Å; C148-M179 HydrophobicContact CB-CE 3.82Å; C148-M179 HydrophobicContact CB-CG 4.16Å; C148-M179 HydrophobicContact CB-SD 4.11Å; V175-M179 HydrophobicContact CG1-CG 4.33Å; V175-M179 HydrophobicContact CG1-SD 4.15Å; V175-M179 VanDerWaalsContact O-CG 3.31Å; V175-M179 WeakPolarHBondContact O-CG 3.35Å; V175-M179 PolarHBondContact O-N 3.4Å; L176-M179 HydrophobicContact CD2-SD 4.27Å; L176-M179 PolarHBondContact O-N 3.47Å; M179-D182 PolarHBondContact O-N 2.87Å; M179-M183 WeakPolarHBondContact O-CB 3.35Å; M179-M183 PolarHBondContact O-N 3.4Å |
| 180 | K | 90 | Very high | 90.7 | Very high | 114 Ų | 114 | 50.5 Ų | 50.5 | 50% | 0.496 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 174.5 | -173.3 | 179.2 | -179.8 | 177.6 | 0 | 111.6 | L101 L176 G177 L178 D182 M183 V184 | L101-K180 HydrophobicContact CD2-CB 4.24Å; L176-K180 WeakPolarHBondContact O-CB 3.29Å; L176-K180 PolarHBondContact O-N 3.43Å; G177-K180 PolarHBondContact O-N 3.08Å; L178-K180 VanDerWaalsContact C-N 3.26Å; L178-K180 PolarHBondContact O-N 2.9Å; K180-D182 VanDerWaalsContact C-N 3.33Å; K180-M183 PolarHBondContact O-N 3.26Å; K180-V184 VanDerWaalsContact O-CG2 3.27Å; K180-V184 WeakPolarHBondContact O-CG2 3.45Å; K180-V184 PolarHBondContact O-N 3.29Å |
| 181 | S | 89.4 | Confident | 90.5 | Very high | 20 Ų | 20 | 49.7 Ų | 49.7 | 14% | 0.14 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 174.5 | -162.6 | 0 | 0 | 0 | 0 | 111.5 | I47 G177 L178 V184 N185 | I47-S181 PolarHBondContact O-OG 3.49Å; G177-S181 PolarHBondContact O-N 2.89Å; L178-S181 WeakPolarHBondContact O-CA 3.5Å; L178-S181 WeakPolarHBondContact O-CB 3.36Å; L178-S181 PolarHBondContact O-N 3.37Å; S181-V184 PolarHBondContact O-N 3.17Å; S181-N185 WeakPolarHBondContact O-CB 3.17Å; S181-N185 VanDerWaalsContact O-CG 3.29Å; S181-N185 PolarHBondContact O-N 2.98Å; S181-N185 PolarHBondContact O-ND2 3.36Å |
| 182 | D | 90.5 | Very high | 90.2 | Very high | 40 Ų | 40 | 50.7 Ų | 50.7 | 21% | 0.214 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 178.6 | -62.8 | -21.7 | 0 | 0 | 0 | 110.6 | R152 L178 M179 K180 V184 N185 F186 | R152-D182 WeakPolarHBondContact CG-OD2 3.48Å; R152-D182 IonicContact CZ-OD2 2.88Å; R152-D182 IonicContact NE-OD1 3.19Å; R152-D182 IonicContact NE-OD2 2.76Å; R152-D182 PolarHBondContact NE-OD2 2.91Å; R152-D182 IonicContact NH2-OD1 3.99Å; R152-D182 PolarHBondContact NH2-OD1 3.1Å; R152-D182 IonicContact NH2-OD2 3.33Å; L178-D182 VanDerWaalsContact O-CG 3.22Å; L178-D182 PolarHBondContact O-N 3.45Å; M179-D182 PolarHBondContact O-N 2.87Å; K180-D182 VanDerWaalsContact C-N 3.33Å; D182-V184 PolarHBondContact O-N 3.16Å; D182-N185 PolarHBondContact O-N 2.85Å; D182-F186 WeakPolarHBondContact O-CB 3.46Å; D182-F186 PolarHBondContact O-N 2.98Å |
| 183 | M | 88.5 | Confident | 89.9 | Confident | 54 Ų | 54 | 54.1 Ų | 54.1 | 27% | 0.266 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.8 | -42 | 176.9 | -175.9 | -172.1 | 67.5 | 0 | 0 | 112.2 | S100 L101 M179 K180 F186 T187 | S100-M183 WeakPolarHBondContact O-CE 3.44Å; L101-M183 HydrophobicContact CB-SD 4.42Å; L101-M183 HydrophobicContact CD2-CB 4.11Å; L101-M183 HydrophobicContact CD2-CE 3.99Å; L101-M183 HydrophobicContact CD2-SD 3.91Å; M179-M183 WeakPolarHBondContact O-CB 3.35Å; M179-M183 PolarHBondContact O-N 3.4Å; K180-M183 PolarHBondContact O-N 3.26Å; M183-F186 PolarHBondContact O-N 3.18Å; M183-T187 WeakPolarHBondContact O-CB 3.43Å; M183-T187 PolarHBondContact O-N 2.97Å; M183-T187 PolarHBondContact O-OG1 3.21Å |
| 184 | V | 88.6 | Confident | 89.7 | Confident | 48 Ų | 48 | 57.9 Ų | 57.9 | 29% | 0.291 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.7 | -46.8 | 176.9 | 170.9 | 0 | 0 | 0 | 0 | 110.4 | I47 K180 S181 D182 F186 T187 I188 | I47-V184 HydrophobicContact CD1-CG1 3.68Å; I47-V184 HydrophobicContact CG1-CG1 4.45Å; K180-V184 VanDerWaalsContact O-CG2 3.27Å; K180-V184 WeakPolarHBondContact O-CG2 3.45Å; K180-V184 PolarHBondContact O-N 3.29Å; S181-V184 PolarHBondContact O-N 3.17Å; D182-V184 PolarHBondContact O-N 3.16Å; V184-F186 PolarHBondContact O-N 3.32Å; V184-T187 PolarHBondContact O-N 3.23Å; V184-I188 HydrophobicContact CG1-CD1 3.93Å; V184-I188 WeakPolarHBondContact O-CG1 3.39Å; V184-I188 PolarHBondContact O-N 2.87Å |
| 185 | N | 90 | Very high | 89.5 | Confident | 21 Ų | 21 | 53.8 Ų | 53.8 | 11% | 0.112 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 177.7 | -71.9 | -29 | 0 | 0 | 0 | 112 | C46 I47 S181 D182 T187 I188 Q189 | C46-N185 WeakPolarHBondContact CA-OD1 3.42Å; I47-N185 PolarHBondContact N-OD1 3.2Å; I47-N185 PolarHBondContact O-ND2 3.29Å; I47-N185 VanDerWaalsContact O-ND2 3.11Å; S181-N185 WeakPolarHBondContact O-CB 3.17Å; S181-N185 VanDerWaalsContact O-CG 3.29Å; S181-N185 PolarHBondContact O-N 2.98Å; S181-N185 PolarHBondContact O-ND2 3.36Å; D182-N185 PolarHBondContact O-N 2.85Å; N185-T187 VanDerWaalsContact C-N 3.33Å; N185-T187 PolarHBondContact O-N 3.42Å; N185-I188 PolarHBondContact O-N 3.15Å; N185-Q189 WeakPolarHBondContact O-CG 3.5Å; N185-Q189 PolarHBondContact O-N 2.98Å |
| 186 | F | 88.3 | Confident | 89.1 | Confident | 129 Ų | 129 | 57.8 Ų | 57.8 | 57% | 0.566 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -59.8 | -42.6 | 173.7 | 174 | -99.1 | 0 | 0 | 0 | 112.2 | D182 M183 V184 Q189 S190 | D182-F186 WeakPolarHBondContact O-CB 3.46Å; D182-F186 PolarHBondContact O-N 2.98Å; M183-F186 PolarHBondContact O-N 3.18Å; V184-F186 PolarHBondContact O-N 3.32Å; F186-Q189 PolarHBondContact O-N 3.46Å; F186-S190 WeakPolarHBondContact O-CB 3.33Å; F186-S190 PolarHBondContact O-N 3.29Å; F186-S190 PolarHBondContact O-OG 3.43Å |
| 187 | T | 88.6 | Confident | 88.9 | Confident | 58 Ų | 58 | 64.9 Ų | 64.9 | 36% | 0.356 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.6 | -44.6 | 178.6 | -57.5 | 0 | 0 | 0 | 0 | 110.9 | M183 V184 N185 Q189 S190 L191 | M183-T187 WeakPolarHBondContact O-CB 3.43Å; M183-T187 PolarHBondContact O-N 2.97Å; M183-T187 PolarHBondContact O-OG1 3.21Å; V184-T187 PolarHBondContact O-N 3.23Å; N185-T187 VanDerWaalsContact C-N 3.33Å; N185-T187 PolarHBondContact O-N 3.42Å; T187-Q189 PolarHBondContact O-N 3.4Å; T187-S190 PolarHBondContact O-N 3.43Å; T187-L191 HydrophobicContact CG2-CD1 3.89Å; T187-L191 HydrophobicContact CG2-CG 4.4Å; T187-L191 WeakPolarHBondContact O-CB 3.4Å; T187-L191 WeakPolarHBondContact O-CG 3.44Å; T187-L191 PolarHBondContact O-N 3.47Å |
| 188 | I | 89.1 | Confident | 88.9 | Confident | 24 Ų | 24 | 69.3 Ų | 69.3 | 12% | 0.123 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.1 | -48 | 175.7 | -69.4 | 165.8 | 0 | 0 | 0 | 110.5 | I39 F45 I47 V184 N185 S190 L191 R192 | I39-I188 HydrophobicContact CG1-CG2 4.31Å; I39-I188 HydrophobicContact CG2-CG2 3.8Å; F45-I188 HydrophobicContact CD1-CG2 4.28Å; F45-I188 HydrophobicContact CE1-CD1 4.17Å; I47-I188 HydrophobicContact CD1-CD1 3.7Å; I47-I188 HydrophobicContact CG1-CD1 3.94Å; V184-I188 HydrophobicContact CG1-CD1 3.93Å; V184-I188 WeakPolarHBondContact O-CG1 3.39Å; V184-I188 PolarHBondContact O-N 2.87Å; N185-I188 PolarHBondContact O-N 3.15Å; I188-S190 VanDerWaalsContact C-N 3.33Å; I188-S190 PolarHBondContact O-N 2.98Å; I188-L191 PolarHBondContact O-N 3.15Å; I188-R192 WeakPolarHBondContact O-CB 3.27Å; I188-R192 PolarHBondContact O-N 3.24Å |
| 189 | Q | 88.3 | Confident | 88.9 | Confident | 97 Ų | 97 | 68 Ų | 68 | 45% | 0.453 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 178.3 | -72.6 | 179.3 | 6.2 | 0 | 0 | 112.1 | N185 F186 T187 R192 | N185-Q189 WeakPolarHBondContact O-CG 3.5Å; N185-Q189 PolarHBondContact O-N 2.98Å; F186-Q189 PolarHBondContact O-N 3.46Å; T187-Q189 PolarHBondContact O-N 3.4Å; Q189-R192 PolarHBondContact O-N 3.3Å |
| 190 | S | 87.5 | Confident | 88.9 | Confident | 58 Ų | 58 | 69.2 Ų | 69.2 | 41% | 0.406 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.7 | -35.9 | 178.8 | -60.1 | 0 | 0 | 0 | 0 | 112.6 | F186 T187 I188 P193 | F186-S190 WeakPolarHBondContact O-CB 3.33Å; F186-S190 PolarHBondContact O-N 3.29Å; F186-S190 PolarHBondContact O-OG 3.43Å; T187-S190 PolarHBondContact O-N 3.43Å; I188-S190 VanDerWaalsContact C-N 3.33Å; I188-S190 PolarHBondContact O-N 2.98Å; S190-P193 WeakPolarHBondContact O-CD 3.39Å |
| 191 | L | 87.8 | Confident | 89 | Confident | 89 Ų | 89 | 70.4 Ų | 70.4 | 47% | 0.466 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -84.5 | -20.8 | -180 | -68.4 | 176.9 | 0 | 0 | 0 | 113.7 | T187 I188 P193 H194 L195 | T187-L191 HydrophobicContact CG2-CD1 3.89Å; T187-L191 HydrophobicContact CG2-CG 4.4Å; T187-L191 WeakPolarHBondContact O-CB 3.4Å; T187-L191 WeakPolarHBondContact O-CG 3.44Å; T187-L191 PolarHBondContact O-N 3.47Å; I188-L191 PolarHBondContact O-N 3.15Å; L191-P193 VanDerWaalsContact C-CD 3.42Å; L191-H194 WeakPolarHBondContact O-CA 3.5Å; L191-H194 WeakPolarHBondContact O-CB 3.34Å; L191-H194 PolarHBondContact O-N 3.06Å; L191-L195 HydrophobicContact CB-CD1 4.46Å; L191-L195 PolarHBondContact O-N 3.24Å |
| 192 | R | 88.4 | Confident | 89.2 | Confident | 34 Ų | 34 | 73.7 Ų | 73.7 | 13% | 0.128 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -49.4 | -43.7 | -176.2 | -175.6 | -179.3 | -72.9 | 143.8 | -7.4 | 114.4 | I39 N42 G43 I188 Q189 H194 L195 L196 | I39-R192 PolarHBondContact O-NE 2.76Å; N42-R192 PolarHBondContact O-NH2 3.39Å; G43-R192 VanDerWaalsContact O-CZ 3.24Å; G43-R192 PolarHBondContact O-NH1 3.07Å; G43-R192 PolarHBondContact O-NH2 3.24Å; G43-R192 VanDerWaalsContact O-NH2 3.15Å; I188-R192 WeakPolarHBondContact O-CB 3.27Å; I188-R192 PolarHBondContact O-N 3.24Å; Q189-R192 PolarHBondContact O-N 3.3Å; R192-H194 VanDerWaalsContact C-N 3.25Å; R192-H194 PolarHBondContact O-N 3.36Å; R192-L195 PolarHBondContact O-N 3.16Å; R192-L196 HydrophobicContact CG-CD1 4.21Å; R192-L196 WeakPolarHBondContact O-CG 3.42Å; R192-L196 PolarHBondContact O-N 3.01Å |
| 193 | P | 88.6 | Confident | 89.3 | Confident | 74 Ų | 74 | 71.9 Ų | 71.9 | 48% | 0.481 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.4 | -35.3 | 177.5 | -24 | 35.1 | 0 | 0 | 0 | 113.4 | S190 L191 | S190-P193 WeakPolarHBondContact O-CD 3.39Å; L191-P193 VanDerWaalsContact C-CD 3.42Å |
| 194 | H | 88.2 | Confident | 89.6 | Confident | 116 Ų | 116 | 73.5 Ų | 73.5 | 54% | 0.537 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -75.8 | -39.4 | 177.1 | -60.1 | -69.3 | 0 | 0 | 0 | 111.5 | L191 R192 L196 Q197 | L191-H194 WeakPolarHBondContact O-CA 3.5Å; L191-H194 WeakPolarHBondContact O-CB 3.34Å; L191-H194 PolarHBondContact O-N 3.06Å; R192-H194 VanDerWaalsContact C-N 3.25Å; R192-H194 PolarHBondContact O-N 3.36Å; H194-L196 VanDerWaalsContact C-N 3.31Å; H194-L196 PolarHBondContact O-N 2.74Å; H194-Q197 WeakPolarHBondContact O-CB 3.42Å; H194-Q197 PolarHBondContact O-N 3.11Å |
| 195 | L | 87.3 | Confident | 89.8 | Confident | 70 Ų | 70 | 73.5 Ų | 73.5 | 37% | 0.366 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.8 | -41.3 | 175.2 | -64 | 175.4 | 0 | 0 | 0 | 111.4 | I39 V40 L191 R192 Q197 Q198 A199 | I39-L195 HydrophobicContact CG2-CD1 3.56Å; V40-L195 HydrophobicContact CG2-CB 4.29Å; L191-L195 HydrophobicContact CB-CD1 4.46Å; L191-L195 PolarHBondContact O-N 3.24Å; R192-L195 PolarHBondContact O-N 3.16Å; L195-Q197 PolarHBondContact O-N 3.49Å; L195-Q198 CarbonylContact O-C 3.6Å; L195-Q198 PolarHBondContact O-N 3.31Å; L195-Q198 VanDerWaalsContact O-N 3.09Å; L195-A199 WeakPolarHBondContact O-CA 3.36Å; L195-A199 WeakPolarHBondContact O-CB 3.32Å; L195-A199 PolarHBondContact O-N 3.37Å |
| 196 | L | 86.4 | Confident | 89.8 | Confident | 86 Ų | 86 | 74.8 Ų | 74.8 | 45% | 0.45 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -57.2 | -35.3 | 177.3 | -81.8 | 164.6 | 0 | 0 | 0 | 113.3 | V40 R192 H194 Q198 | V40-L196 HydrophobicContact CG1-CD2 3.66Å; R192-L196 HydrophobicContact CG-CD1 4.21Å; R192-L196 WeakPolarHBondContact O-CG 3.42Å; R192-L196 PolarHBondContact O-N 3.01Å; H194-L196 VanDerWaalsContact C-N 3.31Å; H194-L196 PolarHBondContact O-N 2.74Å; L196-Q198 VanDerWaalsContact C-N 3.26Å; L196-Q198 PolarHBondContact O-N 2.9Å |
| 197 | Q | 88.3 | Confident | 89.9 | Confident | 150 Ų | 150 | 69.3 Ų | 69.3 | 70% | 0.701 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -66.7 | -29.1 | 179.8 | -66.4 | 175.6 | 2.4 | 0 | 0 | 112.6 | H194 L195 | H194-Q197 WeakPolarHBondContact O-CB 3.42Å; H194-Q197 PolarHBondContact O-N 3.11Å; L195-Q197 PolarHBondContact O-N 3.49Å |
| 198 | Q | 89.4 | Confident | 90.1 | Very high | 130 Ų | 130 | 70.4 Ų | 70.4 | 61% | 0.607 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -109.7 | -10.9 | -175.8 | -63.4 | -174.8 | -38.6 | 0 | 0 | 113.4 | L195 L196 V200 Q201 Y202 | L195-Q198 CarbonylContact O-C 3.6Å; L195-Q198 PolarHBondContact O-N 3.31Å; L195-Q198 VanDerWaalsContact O-N 3.09Å; L196-Q198 VanDerWaalsContact C-N 3.26Å; L196-Q198 PolarHBondContact O-N 2.9Å; Q198-V200 VanDerWaalsContact C-N 3.31Å; Q198-V200 PolarHBondContact O-N 3.34Å; Q198-Q201 PolarHBondContact O-N 3.39Å; Q198-Q201 VanDerWaalsContact O-N 3.07Å; Q198-Y202 PolarHBondContact O-N 3.12Å |
| 199 | A | 91 | Very high | 90.1 | Very high | 6 Ų | 6 | 73.5 Ų | 73.5 | 5% | 0.05 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -52.3 | -46.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V40 L195 Q201 Y202 E203 F441 | V40-A199 HydrophobicContact CB-CB 4.39Å; V40-A199 HydrophobicContact CG1-CB 3.84Å; V40-A199 HydrophobicContact CG2-CB 3.76Å; L195-A199 WeakPolarHBondContact O-CA 3.36Å; L195-A199 WeakPolarHBondContact O-CB 3.32Å; L195-A199 PolarHBondContact O-N 3.37Å; A199-Q201 VanDerWaalsContact C-N 3.34Å; A199-Q201 PolarHBondContact O-N 3.31Å; A199-Y202 PolarHBondContact O-N 3.3Å; A199-E203 WeakPolarHBondContact O-CB 3.49Å; A199-E203 WeakPolarHBondContact O-CG 3.03Å; A199-E203 PolarHBondContact O-N 2.85Å; A199-F441 HydrophobicContact CB-CE2 4.23Å; A199-F441 HydrophobicContact CB-CZ 4.18Å |
| 200 | V | 92.6 | Very high | 90 | Very high | 36 Ų | 36 | 69.6 Ų | 69.6 | 22% | 0.218 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.5 | -45 | -179.4 | 174.4 | 0 | 0 | 0 | 0 | 112 | Q198 R204 F441 T444 V445 | Q198-V200 VanDerWaalsContact C-N 3.31Å; Q198-V200 PolarHBondContact O-N 3.34Å; V200-R204 WeakPolarHBondContact O-CB 3.41Å; V200-R204 PolarHBondContact O-N 2.93Å; V200-R204 VanDerWaalsContact O-N 3.14Å; V200-F441 HydrophobicContact CG2-CE2 4.26Å; V200-T444 HydrophobicContact CB-CG2 4.5Å; V200-T444 HydrophobicContact CG1-CG2 3.89Å; V200-T444 HydrophobicContact CG2-CG2 3.77Å; V200-V445 HydrophobicContact CG1-CG2 4.48Å; V200-V445 HydrophobicContact CG2-CG2 4.36Å |
| 201 | Q | 93.2 | Very high | 90 | Very high | 139 Ų | 139 | 67.7 Ų | 67.7 | 65% | 0.65 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -70 | -42.7 | -178.4 | -63.8 | 177.5 | 8.8 | 0 | 0 | 110.6 | Q198 A199 A205 | Q198-Q201 PolarHBondContact O-N 3.39Å; Q198-Q201 VanDerWaalsContact O-N 3.07Å; A199-Q201 VanDerWaalsContact C-N 3.34Å; A199-Q201 PolarHBondContact O-N 3.31Å; Q201-A205 VanDerWaalsContact O-CB 3.29Å; Q201-A205 WeakPolarHBondContact O-CB 3.44Å; Q201-A205 PolarHBondContact O-N 3.27Å |
| 202 | Y | 92.3 | Very high | 90 | Very high | 89 Ų | 89 | 68.7 Ų | 68.7 | 35% | 0.349 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62 | -53.3 | 178.3 | 177.4 | -95.4 | 0 | 0 | 0 | 112 | A36 Q198 A199 R204 A205 K206 | A36-Y202 HydrophobicContact CB-CD1 4.04Å; A36-Y202 HydrophobicContact CB-CE1 3.53Å; Q198-Y202 PolarHBondContact O-N 3.12Å; A199-Y202 PolarHBondContact O-N 3.3Å; Y202-R204 VanDerWaalsContact C-N 3.33Å; Y202-R204 PolarHBondContact O-N 3.42Å; Y202-A205 PolarHBondContact O-N 2.85Å; Y202-K206 HydrophobicContact CD1-CG 4.43Å; Y202-K206 HydrophobicContact CD2-CG 4.42Å; Y202-K206 HydrophobicContact CE1-CG 4.01Å; Y202-K206 HydrophobicContact CE2-CG 4Å; Y202-K206 WeakPolarHBondContact O-CB 3.49Å; Y202-K206 WeakPolarHBondContact O-CG 3.34Å; Y202-K206 PolarHBondContact O-N 2.9Å |
| 203 | E | 93.8 | Very high | 89.8 | Confident | 1 Ų | 1 | 71.3 Ų | 71.3 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.6 | -42.8 | -179.1 | -71.1 | -165.6 | -158.9 | 0 | 0 | 111.5 | L33 H37 A199 K206 F207 F441 V445 | L33-E203 HydrophobicContact CD1-CB 3.9Å; L33-E203 HydrophobicContact CD1-CG 3.69Å; H37-E203 WeakPolarHBondContact CA-OE1 3.32Å; H37-E203 WeakPolarHBondContact CB-OE1 3.44Å; H37-E203 IonicContact CG-OE1 2.68Å; H37-E203 IonicContact ND1-OE1 3.19Å; H37-E203 PolarHBondContact ND1-OE1 3.46Å; H37-E203 IonicContact ND1-OE2 3.53Å; H37-E203 PolarHBondContact ND1-OE2 2.92Å; A199-E203 WeakPolarHBondContact O-CB 3.49Å; A199-E203 WeakPolarHBondContact O-CG 3.03Å; A199-E203 PolarHBondContact O-N 2.85Å; E203-K206 PolarHBondContact O-N 3.07Å; E203-F207 VanDerWaalsContact O-CB 3.27Å; E203-F207 WeakPolarHBondContact O-CB 3.21Å; E203-F207 PolarHBondContact O-N 3.13Å; E203-F441 VanDerWaalsContact OE1-CE1 3.25Å; E203-F441 WeakPolarHBondContact OE1-CE1 3.46Å; E203-F441 VanDerWaalsContact OE1-CZ 3.3Å; E203-F441 WeakPolarHBondContact OE1-CZ 3.29Å; E203-F441 WeakPolarHBondContact OE2-CE1 3.4Å; E203-V445 HydrophobicContact CB-CG1 3.7Å; E203-V445 HydrophobicContact CB-CG2 4.34Å |
| 204 | R | 93.6 | Very high | 89.4 | Confident | 89 Ų | 89 | 72.1 Ų | 72.1 | 34% | 0.336 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62 | -46.5 | 177.3 | -174.6 | -176.7 | -65 | 168.3 | 0.8 | 112 | V200 Y202 K206 F207 Q208 T444 V445 F449 | V200-R204 WeakPolarHBondContact O-CB 3.41Å; V200-R204 PolarHBondContact O-N 2.93Å; V200-R204 VanDerWaalsContact O-N 3.14Å; Y202-R204 VanDerWaalsContact C-N 3.33Å; Y202-R204 PolarHBondContact O-N 3.42Å; R204-K206 VanDerWaalsContact C-N 3.35Å; R204-F207 PolarHBondContact O-N 3.4Å; R204-Q208 WeakPolarHBondContact O-CB 3.43Å; R204-Q208 PolarHBondContact O-N 2.93Å; R204-T444 PolarHBondContact NH2-O 3.02Å; R204-V445 HydrophobicContact CB-CG1 4.45Å; R204-V445 PolarHBondContact NE-O 2.98Å; R204-F449 HydrophobicContact CG-CE2 3.87Å; R204-F449 HydrophobicContact CG-CZ 3.86Å |
| 205 | A | 93.1 | Very high | 88.2 | Confident | 48 Ų | 48 | 72.2 Ų | 72.2 | 40% | 0.397 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q201 Y202 Q208 Q209 | Q201-A205 VanDerWaalsContact O-CB 3.29Å; Q201-A205 WeakPolarHBondContact O-CB 3.44Å; Q201-A205 PolarHBondContact O-N 3.27Å; Y202-A205 PolarHBondContact O-N 2.85Å; A205-Q208 PolarHBondContact O-N 3.24Å; A205-Q209 WeakPolarHBondContact O-CG 3.37Å; A205-Q209 PolarHBondContact O-N 3.22Å |
| 206 | K | 90.8 | Very high | 87.1 | Confident | 48 Ų | 48 | 72.3 Ų | 72.3 | 21% | 0.209 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -67.8 | -41.4 | 177 | -75.8 | -73.1 | 171.9 | -165.9 | 0 | 112.5 | C29 L33 Y202 E203 R204 Q208 Q209 I210 | C29-K206 WeakPolarHBondContact SG-CD 3.35Å; L33-K206 HydrophobicContact CD1-CB 4Å; L33-K206 HydrophobicContact CD2-CB 4.29Å; Y202-K206 HydrophobicContact CD1-CG 4.43Å; Y202-K206 HydrophobicContact CD2-CG 4.42Å; Y202-K206 HydrophobicContact CE1-CG 4.01Å; Y202-K206 HydrophobicContact CE2-CG 4Å; Y202-K206 WeakPolarHBondContact O-CB 3.49Å; Y202-K206 WeakPolarHBondContact O-CG 3.34Å; Y202-K206 PolarHBondContact O-N 2.9Å; E203-K206 PolarHBondContact O-N 3.07Å; R204-K206 VanDerWaalsContact C-N 3.35Å; K206-Q208 VanDerWaalsContact C-N 3.34Å; K206-Q209 WeakPolarHBondContact O-CB 3.24Å; K206-Q209 PolarHBondContact O-N 2.87Å; K206-I210 WeakPolarHBondContact O-CG1 3.17Å; K206-I210 PolarHBondContact O-N 3.36Å; K206-I210 VanDerWaalsContact O-N 3.1Å |
| 207 | F | 90.9 | Very high | 86.6 | Confident | 14 Ų | 14 | 69.2 Ų | 69.2 | 6% | 0.061 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 174.6 | -166.8 | -108.2 | 0 | 0 | 0 | 111.6 | E203 R204 Q209 I210 L211 L218 F446 F449 | E203-F207 VanDerWaalsContact O-CB 3.27Å; E203-F207 WeakPolarHBondContact O-CB 3.21Å; E203-F207 PolarHBondContact O-N 3.13Å; R204-F207 PolarHBondContact O-N 3.4Å; F207-Q209 VanDerWaalsContact C-N 3.35Å; F207-Q209 PolarHBondContact O-N 3Å; F207-I210 WeakPolarHBondContact O-CB 3.42Å; F207-I210 PolarHBondContact O-N 2.7Å; F207-I210 VanDerWaalsContact O-N 3.13Å; F207-L211 HydrophobicContact CD1-CD1 3.89Å; F207-L211 HydrophobicContact CD1-CG 4.15Å; F207-L211 HydrophobicContact CE1-CD1 3.73Å; F207-L211 HydrophobicContact CE1-CD2 4.17Å; F207-L211 HydrophobicContact CE1-CG 4.03Å; F207-L211 HydrophobicContact CZ-CD2 4.3Å; F207-L211 WeakPolarHBondContact O-CG 3.33Å; F207-L211 PolarHBondContact O-N 3.45Å; F207-L218 HydrophobicContact CE1-CD2 4.01Å; F207-L218 HydrophobicContact CZ-CD2 3.79Å; F207-F446 HydrophobicContact CB-CE1 4.04Å; F207-F446 AromaticContact CD1-CD1 3.85Å; F207-F446 HydrophobicContact CD1-CD1 3.85Å; F207-F446 AromaticContact CD1-CE1 3.8Å; F207-F446 HydrophobicContact CD1-CE1 3.8Å; F207-F446 AromaticContact CD2-CE1 3.74Å; F207-F446 HydrophobicContact CD2-CE1 3.74Å; F207-F446 AromaticContact CE1-CD1 3.97Å; F207-F446 HydrophobicContact CE1-CD1 3.97Å; F207-F446 HydrophobicContact CE1-CE1 4.11Å; F207-F446 HydrophobicContact CE2-CE1 4.07Å; F207-F446 HydrophobicContact CG-CD1 4.14Å; F207-F446 AromaticContact CG-CE1 3.59Å; F207-F446 HydrophobicContact CG-CE1 3.59Å; F207-F446 HydrophobicContact CZ-CD1 4.38Å; F207-F446 HydrophobicContact CZ-CE1 4.23Å; F207-F449 HydrophobicContact CB-CZ 4.45Å; F207-F449 HydrophobicContact CD1-CD1 4.29Å; F207-F449 AromaticContact CD1-CD2 3.9Å; F207-F449 HydrophobicContact CD1-CD2 3.9Å; F207-F449 HydrophobicContact CD1-CE1 4.02Å; F207-F449 AromaticContact CD1-CE2 3.64Å; F207-F449 HydrophobicContact CD1-CE2 3.64Å; F207-F449 HydrophobicContact CD1-CG 4.24Å; F207-F449 AromaticContact CD1-CZ 3.71Å; F207-F449 HydrophobicContact CD1-CZ 3.71Å; F207-F449 HydrophobicContact CE1-CD1 4.44Å; F207-F449 HydrophobicContact CE1-CD2 4.15Å; F207-F449 HydrophobicContact CE1-CE2 4.35Å; F207-F449 HydrophobicContact CE1-CG 4.22Å |
| 208 | Q | 90.9 | Very high | 86.4 | Confident | 81 Ų | 81 | 63.8 Ų | 63.8 | 38% | 0.379 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.4 | -43.9 | 173.1 | -173.7 | 65.1 | 63.1 | 0 | 0 | 111.8 | R204 A205 K206 I210 L211 D212 F449 | R204-Q208 WeakPolarHBondContact O-CB 3.43Å; R204-Q208 PolarHBondContact O-N 2.93Å; A205-Q208 PolarHBondContact O-N 3.24Å; K206-Q208 VanDerWaalsContact C-N 3.34Å; Q208-I210 PolarHBondContact O-N 3.26Å; Q208-L211 PolarHBondContact O-N 3.17Å; Q208-L211 VanDerWaalsContact O-N 3.11Å; Q208-D212 PolarHBondContact NE2-OD1 3.17Å; Q208-D212 PolarHBondContact O-N 2.92Å; Q208-F449 HydrophobicContact CB-CE1 4.48Å; Q208-F449 HydrophobicContact CB-CZ 4.45Å; Q208-F449 VanDerWaalsContact OE1-CE1 3.3Å |
| 209 | Q | 89.8 | Confident | 86.4 | Confident | 88 Ų | 88 | 62.7 Ų | 62.7 | 41% | 0.411 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.2 | -35.6 | 175.4 | -71.7 | 171.3 | 16.2 | 0 | 0 | 112.6 | A205 K206 F207 K213 | A205-Q209 WeakPolarHBondContact O-CG 3.37Å; A205-Q209 PolarHBondContact O-N 3.22Å; K206-Q209 WeakPolarHBondContact O-CB 3.24Å; K206-Q209 PolarHBondContact O-N 2.87Å; F207-Q209 VanDerWaalsContact C-N 3.35Å; F207-Q209 PolarHBondContact O-N 3Å; Q209-K213 WeakPolarHBondContact O-CG 3.44Å; Q209-K213 PolarHBondContact O-N 3.34Å |
| 210 | I | 86.7 | Confident | 86.3 | Confident | 16 Ų | 16 | 64.5 Ų | 64.5 | 8% | 0.082 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.3 | -46.6 | 175.1 | -67.5 | 164.7 | 0 | 0 | 0 | 110 | L26 V30 L33 K206 F207 Q208 D212 K213 Q214 | L26-I210 HydrophobicContact CD1-CB 4.36Å; L26-I210 HydrophobicContact CD1-CG1 3.98Å; L26-I210 HydrophobicContact CD1-CG2 4.16Å; V30-I210 HydrophobicContact CG2-CD1 3.92Å; V30-I210 HydrophobicContact CG2-CG1 4.47Å; L33-I210 HydrophobicContact CD2-CD1 3.84Å; K206-I210 WeakPolarHBondContact O-CG1 3.17Å; K206-I210 PolarHBondContact O-N 3.36Å; K206-I210 VanDerWaalsContact O-N 3.1Å; F207-I210 WeakPolarHBondContact O-CB 3.42Å; F207-I210 PolarHBondContact O-N 2.7Å; F207-I210 VanDerWaalsContact O-N 3.13Å; Q208-I210 PolarHBondContact O-N 3.26Å; I210-D212 PolarHBondContact O-N 3.29Å; I210-K213 PolarHBondContact O-N 2.98Å; I210-Q214 PolarHBondContact O-N 2.88Å |
| 211 | L | 86.7 | Confident | 86.3 | Confident | 17 Ų | 17 | 62.8 Ų | 62.8 | 9% | 0.089 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.1 | -37 | 178.4 | -65.6 | -177.5 | 0 | 0 | 0 | 112.9 | F207 Q208 K213 Q214 P215 L218 F449 | F207-L211 HydrophobicContact CD1-CD1 3.89Å; F207-L211 HydrophobicContact CD1-CG 4.15Å; F207-L211 HydrophobicContact CE1-CD1 3.73Å; F207-L211 HydrophobicContact CE1-CD2 4.17Å; F207-L211 HydrophobicContact CE1-CG 4.03Å; F207-L211 HydrophobicContact CZ-CD2 4.3Å; F207-L211 WeakPolarHBondContact O-CG 3.33Å; F207-L211 PolarHBondContact O-N 3.45Å; Q208-L211 PolarHBondContact O-N 3.17Å; Q208-L211 VanDerWaalsContact O-N 3.11Å; L211-K213 PolarHBondContact O-N 3.23Å; L211-Q214 CarbonylContact O-C 3.45Å; L211-Q214 PolarHBondContact O-N 2.7Å; L211-Q214 VanDerWaalsContact O-N 3.14Å; L211-P215 VanDerWaalsContact O-CA 3.31Å; L211-P215 WeakPolarHBondContact O-CA 3.23Å; L211-P215 VanDerWaalsContact O-N 3.08Å; L211-L218 HydrophobicContact CD1-CD1 3.98Å; L211-L218 HydrophobicContact CD2-CD1 4.19Å; L211-L218 HydrophobicContact CD2-CD2 4.16Å; L211-L218 HydrophobicContact CD2-CG 3.82Å; L211-F449 HydrophobicContact CD1-CD1 3.59Å; L211-F449 HydrophobicContact CD1-CE1 3.67Å; L211-F449 HydrophobicContact CD1-CG 4.48Å |
| 212 | D | 87.5 | Confident | 86.2 | Confident | 110 Ų | 110 | 57.5 Ų | 57.5 | 59% | 0.588 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -64 | -34.6 | 177.7 | -64 | -20.6 | 0 | 0 | 0 | 111.2 | Q208 I210 | Q208-D212 PolarHBondContact NE2-OD1 3.17Å; Q208-D212 PolarHBondContact O-N 2.92Å; I210-D212 PolarHBondContact O-N 3.29Å |
| 213 | K | 84.8 | Confident | 86.1 | Confident | 90 Ų | 90 | 56.1 Ų | 56.1 | 39% | 0.391 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -78.8 | -26.7 | 174.4 | -69.3 | -175.6 | 173.4 | -164.4 | 0 | 112.6 | E25 L26 Q209 I210 L211 | E25-K213 IonicContact OE2-NZ 3.23Å; E25-K213 PolarHBondContact OE2-NZ 3.32Å; L26-K213 HydrophobicContact CD1-CD 4.46Å; Q209-K213 WeakPolarHBondContact O-CG 3.44Å; Q209-K213 PolarHBondContact O-N 3.34Å; I210-K213 PolarHBondContact O-N 2.98Å; L211-K213 PolarHBondContact O-N 3.23Å |
| 214 | Q | 79.9 | Confident | 86 | Confident | 90 Ų | 90 | 56.4 Ų | 56.4 | 42% | 0.421 | 32% | 0.315 | S | S | . | . | trans | -137.9 | 81.6 | -179.5 | -66.8 | -169.3 | -3.8 | 0 | 0 | 111.8 | L26 I210 L211 A216 S217 | L26-Q214 HydrophobicContact CD2-CG 4.45Å; L26-Q214 VanDerWaalsContact CD2-NE2 3.32Å; I210-Q214 PolarHBondContact O-N 2.88Å; L211-Q214 CarbonylContact O-C 3.45Å; L211-Q214 PolarHBondContact O-N 2.7Å; L211-Q214 VanDerWaalsContact O-N 3.14Å; Q214-A216 PolarHBondContact O-N 2.91Å; Q214-A216 VanDerWaalsContact O-N 3.16Å; Q214-S217 WeakPolarHBondContact O-CB 3.13Å; Q214-S217 PolarHBondContact O-N 2.98Å | ||
| 215 | P | 64.3 | Low | 86 | Confident | 119 Ų | 119 | 52.2 Ų | 52.2 | 77% | 0.773 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -15.8 | -172.5 | 21.5 | -32.1 | 0 | 0 | 0 | 115.3 | L211 S217 | L211-P215 VanDerWaalsContact O-CA 3.31Å; L211-P215 WeakPolarHBondContact O-CA 3.23Å; L211-P215 VanDerWaalsContact O-N 3.08Å; P215-S217 VanDerWaalsContact C-N 3.32Å |
| 216 | A | 63.9 | Low | 85.9 | Confident | 72 Ų | 72 | 53.2 Ų | 53.2 | 60% | 0.595 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | 19.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q214 L218 | Q214-A216 PolarHBondContact O-N 2.91Å; Q214-A216 VanDerWaalsContact O-N 3.16Å; A216-L218 PolarHBondContact O-N 3.36Å |
| 217 | S | 74.8 | Confident | 85.8 | Confident | 21 Ų | 21 | 52.5 Ų | 52.5 | 15% | 0.147 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 7 | -170 | 171.7 | 0 | 0 | 0 | 0 | 115.4 | Q214 P215 E276 | Q214-S217 WeakPolarHBondContact O-CB 3.13Å; Q214-S217 PolarHBondContact O-N 2.98Å; P215-S217 VanDerWaalsContact C-N 3.32Å; S217-E276 WeakPolarHBondContact O-CG 3.49Å |
| 218 | L | 85.6 | Confident | 85.8 | Confident | 35 Ų | 35 | 51.9 Ų | 51.9 | 18% | 0.183 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | 16.9 | -176.4 | -67.8 | 178.9 | 0 | 0 | 0 | 113.9 | F207 L211 A216 N220 T221 A222 F449 | F207-L218 HydrophobicContact CE1-CD2 4.01Å; F207-L218 HydrophobicContact CZ-CD2 3.79Å; L211-L218 HydrophobicContact CD1-CD1 3.98Å; L211-L218 HydrophobicContact CD2-CD1 4.19Å; L211-L218 HydrophobicContact CD2-CD2 4.16Å; L211-L218 HydrophobicContact CD2-CG 3.82Å; A216-L218 PolarHBondContact O-N 3.36Å; L218-N220 VanDerWaalsContact C-N 3.32Å; L218-N220 PolarHBondContact O-N 3.27Å; L218-T221 PolarHBondContact O-N 3.4Å; L218-A222 WeakPolarHBondContact O-CB 3.43Å; L218-A222 PolarHBondContact O-N 3.19Å; L218-F449 HydrophobicContact CD1-CB 4.42Å |
| 219 | D | 89 | Confident | 85.7 | Confident | 108 Ų | 108 | 48.6 Ų | 48.6 | 58% | 0.578 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -60.9 | -40.3 | -176.7 | -68.6 | -18.7 | 0 | 0 | 0 | 112 | A222 A223 E276 | D219-A222 PolarHBondContact O-N 3.47Å; D219-A223 WeakPolarHBondContact O-CB 3.25Å; D219-A223 PolarHBondContact O-N 3.07Å; D219-E276 PolarHBondContact N-OE1 2.69Å |
| 220 | N | 89.2 | Confident | 85.6 | Confident | 44 Ų | 44 | 47.8 Ų | 47.8 | 24% | 0.235 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -73.4 | -39.3 | 179.7 | -52.9 | -56.6 | 0 | 0 | 0 | 111 | L218 A222 A223 W224 K273 E276 | L218-N220 VanDerWaalsContact C-N 3.32Å; L218-N220 PolarHBondContact O-N 3.27Å; N220-A222 VanDerWaalsContact C-N 3.31Å; N220-A222 PolarHBondContact O-N 2.74Å; N220-A223 PolarHBondContact O-N 3.29Å; N220-W224 VanDerWaalsContact O-CB 3.22Å; N220-W224 WeakPolarHBondContact O-CB 3.43Å; N220-W224 PolarHBondContact O-N 3.33Å; N220-K273 HydrophobicContact CB-CB 4.27Å; N220-K273 WeakPolarHBondContact OD1-CB 3.19Å; N220-K273 VanDerWaalsContact OD1-CD 3.24Å; N220-K273 WeakPolarHBondContact OD1-CD 3.45Å; N220-E276 VanDerWaalsContact CB-OE1 3.25Å; N220-E276 WeakPolarHBondContact CB-OE1 3.39Å; N220-E276 VanDerWaalsContact CG-OE1 3.27Å; N220-E276 PolarHBondContact N-OE1 3.45Å; N220-E276 PolarHBondContact ND2-OE1 2.94Å |
| 221 | T | 91.2 | Very high | 85.6 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.5 | -41.5 | 173.1 | -60.9 | 0 | 0 | 0 | 0 | 111.1 | L218 W224 L225 E276 Y450 I453 | L218-T221 PolarHBondContact O-N 3.4Å; T221-W224 HydrophobicContact CG2-CE3 4.38Å; T221-L225 HydrophobicContact CG2-CD1 4.45Å; T221-L225 WeakPolarHBondContact O-CG 3.33Å; T221-L225 PolarHBondContact O-N 3.41Å; T221-L225 VanDerWaalsContact O-N 3.12Å; T221-E276 VanDerWaalsContact CB-OE2 3.31Å; T221-E276 WeakPolarHBondContact CB-OE2 3.49Å; T221-E276 PolarHBondContact N-OE2 2.92Å; T221-E276 PolarHBondContact OG1-N 3.08Å; T221-E276 PolarHBondContact OG1-OE2 3.14Å; T221-Y450 HydrophobicContact CG2-CD1 3.88Å; T221-Y450 HydrophobicContact CG2-CE1 3.58Å; T221-I453 HydrophobicContact CG2-CD1 4.28Å |
| 222 | A | 91.4 | Very high | 85.6 | Confident | 28 Ų | 28 | 51.7 Ų | 51.7 | 23% | 0.231 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.4 | -48.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L218 D219 N220 W224 L225 V226 I453 | L218-A222 WeakPolarHBondContact O-CB 3.43Å; L218-A222 PolarHBondContact O-N 3.19Å; D219-A222 PolarHBondContact O-N 3.47Å; N220-A222 VanDerWaalsContact C-N 3.31Å; N220-A222 PolarHBondContact O-N 2.74Å; A222-W224 VanDerWaalsContact C-N 3.3Å; A222-W224 PolarHBondContact O-N 2.92Å; A222-L225 PolarHBondContact O-N 3.41Å; A222-V226 WeakPolarHBondContact O-CG2 3.39Å; A222-V226 PolarHBondContact O-N 3.43Å; A222-I453 HydrophobicContact CB-CD1 4.22Å; A222-I453 HydrophobicContact CB-CG2 4.27Å |
| 223 | A | 90.6 | Very high | 85.4 | Confident | 59 Ų | 59 | 49 Ų | 49 | 49% | 0.488 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.1 | -41.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D219 N220 V226 A227 | D219-A223 WeakPolarHBondContact O-CB 3.25Å; D219-A223 PolarHBondContact O-N 3.07Å; N220-A223 PolarHBondContact O-N 3.29Å; A223-V226 PolarHBondContact O-N 3.01Å; A223-A227 WeakPolarHBondContact O-CB 3.29Å; A223-A227 PolarHBondContact O-N 3.23Å |
| 224 | W | 92.3 | Very high | 85.4 | Confident | 8 Ų | 8 | 48.7 Ų | 48.7 | 3% | 0.03 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.3 | -46.5 | 175.3 | 169.2 | 59.5 | 0 | 0 | 0 | 112.6 | N220 T221 A222 A227 A228 A260 Y261 L264 W267 P275 M278 Y450 | N220-W224 VanDerWaalsContact O-CB 3.22Å; N220-W224 WeakPolarHBondContact O-CB 3.43Å; N220-W224 PolarHBondContact O-N 3.33Å; T221-W224 HydrophobicContact CG2-CE3 4.38Å; A222-W224 VanDerWaalsContact C-N 3.3Å; A222-W224 PolarHBondContact O-N 2.92Å; W224-A227 PolarHBondContact O-N 3.4Å; W224-A228 PolarHBondContact O-N 3.16Å; W224-A228 VanDerWaalsContact O-N 3.14Å; W224-A260 HydrophobicContact CD2-CB 4.05Å; W224-A260 VanDerWaalsContact CE2-CB 3.42Å; W224-A260 HydrophobicContact CH2-CB 3.96Å; W224-A260 HydrophobicContact CZ2-CB 3.39Å; W224-A260 WeakPolarHBondContact CZ2-O 3.25Å; W224-A260 HydrophobicContact CZ3-CB 4.5Å; W224-A260 PolarHBondContact NE1-O 2.77Å; W224-Y261 HydrophobicContact CH2-CD1 4.32Å; W224-Y261 HydrophobicContact CH2-CE1 4.31Å; W224-Y261 HydrophobicContact CH2-CE2 4.44Å; W224-Y261 HydrophobicContact CH2-CG 4.48Å; W224-Y261 HydrophobicContact CZ2-CD1 4.44Å; W224-Y261 HydrophobicContact CZ2-CG 4.43Å; W224-L264 HydrophobicContact CZ2-CD1 3.88Å; W224-L264 HydrophobicContact CZ2-CG 4.2Å; W224-W267 AromaticContact CD1-CZ3 3.73Å; W224-P275 HydrophobicContact CB-CG 3.84Å; W224-P275 HydrophobicContact CD2-CB 4.22Å; W224-P275 HydrophobicContact CD2-CG 3.58Å; W224-P275 HydrophobicContact CE3-CB 4.03Å; W224-P275 HydrophobicContact CE3-CG 3.92Å; W224-P275 HydrophobicContact CG-CB 4.5Å; W224-P275 HydrophobicContact CG-CG 3.57Å; W224-M278 HydrophobicContact CH2-CE 4.05Å; W224-M278 HydrophobicContact CZ2-CE 4.49Å; W224-Y450 HydrophobicContact CZ3-CE1 4.47Å |
| 225 | L | 92.3 | Very high | 85.3 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.6 | -35.7 | 177.1 | -68.4 | 176.7 | 0 | 0 | 0 | 112.6 | T221 A222 A228 A229 L257 A260 Y450 I453 L454 L457 | T221-L225 HydrophobicContact CG2-CD1 4.45Å; T221-L225 WeakPolarHBondContact O-CG 3.33Å; T221-L225 PolarHBondContact O-N 3.41Å; T221-L225 VanDerWaalsContact O-N 3.12Å; A222-L225 PolarHBondContact O-N 3.41Å; L225-A228 PolarHBondContact O-N 2.9Å; L225-A229 WeakPolarHBondContact O-CB 3.41Å; L225-A229 PolarHBondContact O-N 3.45Å; L225-L257 HydrophobicContact CD2-CD2 3.77Å; L225-A260 HydrophobicContact CD2-CB 3.96Å; L225-Y450 HydrophobicContact CD1-CD1 4.08Å; L225-Y450 HydrophobicContact CD1-CG 4.33Å; L225-I453 HydrophobicContact CB-CG2 4.32Å; L225-I453 HydrophobicContact CD1-CB 4.17Å; L225-I453 HydrophobicContact CD1-CD1 4.22Å; L225-I453 HydrophobicContact CD1-CG2 3.96Å; L225-L454 HydrophobicContact CD1-CD2 4.44Å; L225-L454 HydrophobicContact CD1-CG 4.47Å; L225-L457 HydrophobicContact CB-CD1 4.38Å |
| 226 | V | 90.9 | Very high | 85.8 | Confident | 69 Ų | 69 | 45.5 Ų | 45.5 | 42% | 0.418 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.8 | -46.1 | 175.4 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | A222 A223 A228 A229 S230 L457 | A222-V226 WeakPolarHBondContact O-CG2 3.39Å; A222-V226 PolarHBondContact O-N 3.43Å; A223-V226 PolarHBondContact O-N 3.01Å; V226-A228 VanDerWaalsContact C-N 3.34Å; V226-A228 PolarHBondContact O-N 3.35Å; V226-A229 PolarHBondContact O-N 3.21Å; V226-S230 PolarHBondContact O-N 3Å; V226-S230 PolarHBondContact O-OG 2.82Å; V226-L457 HydrophobicContact CG2-CD1 4.26Å; V226-L457 HydrophobicContact CG2-CD2 3.75Å |
| 227 | A | 89.7 | Confident | 85.6 | Confident | 34 Ų | 34 | 47.6 Ų | 47.6 | 28% | 0.281 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.3 | -41.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | A223 W224 S230 E231 | A223-A227 WeakPolarHBondContact O-CB 3.29Å; A223-A227 PolarHBondContact O-N 3.23Å; W224-A227 PolarHBondContact O-N 3.4Å; A227-S230 PolarHBondContact O-OG 3.08Å; A227-E231 PolarHBondContact O-N 3.46Å |
| 228 | A | 89.9 | Confident | 84.3 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.2 | -39.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | W224 L225 V226 E232 I256 R259 A260 | W224-A228 PolarHBondContact O-N 3.16Å; W224-A228 VanDerWaalsContact O-N 3.14Å; L225-A228 PolarHBondContact O-N 2.9Å; V226-A228 VanDerWaalsContact C-N 3.34Å; V226-A228 PolarHBondContact O-N 3.35Å; A228-E232 WeakPolarHBondContact O-CG 3.49Å; A228-E232 PolarHBondContact O-N 3.43Å; A228-I256 HydrophobicContact CB-CG2 4.21Å; A228-R259 HydrophobicContact CB-CB 4.26Å; A228-R259 HydrophobicContact CB-CG 4.14Å; A228-A260 HydrophobicContact CB-CB 3.5Å |
| 229 | A | 89 | Confident | 82.2 | Confident | 13 Ų | 13 | 56.9 Ų | 56.9 | 11% | 0.107 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.6 | -39.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L225 V226 A233 I256 L457 | L225-A229 WeakPolarHBondContact O-CB 3.41Å; L225-A229 PolarHBondContact O-N 3.45Å; V226-A229 PolarHBondContact O-N 3.21Å; A229-A233 VanDerWaalsContact O-CB 3.28Å; A229-A233 WeakPolarHBondContact O-CB 3.27Å; A229-A233 PolarHBondContact O-N 2.63Å; A229-I256 HydrophobicContact CB-CD1 3.94Å; A229-I256 HydrophobicContact CB-CG1 4.26Å; A229-I256 HydrophobicContact CB-CG2 3.94Å; A229-L457 HydrophobicContact CB-CD1 4.15Å |
| 230 | S | 87.9 | Confident | 79.6 | Confident | 70 Ų | 70 | 57.1 Ų | 57.1 | 49% | 0.49 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.8 | -39.9 | 178.2 | 63 | 0 | 0 | 0 | 0 | 112.1 | V226 A227 A233 A234 | V226-S230 PolarHBondContact O-N 3Å; V226-S230 PolarHBondContact O-OG 2.82Å; A227-S230 PolarHBondContact O-OG 3.08Å; S230-A233 PolarHBondContact O-N 3.22Å; S230-A234 WeakPolarHBondContact O-CB 3.45Å; S230-A234 PolarHBondContact O-N 3.16Å |
| 231 | E | 86.6 | Confident | 77.3 | Confident | 74 Ų | 74 | 62.1 Ų | 62.1 | 35% | 0.346 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.6 | -44.3 | 175 | -74 | -176.6 | -159.5 | 0 | 0 | 112.6 | A227 A233 A234 A235 R259 H263 | A227-E231 PolarHBondContact O-N 3.46Å; E231-A233 VanDerWaalsContact C-N 3.31Å; E231-A233 PolarHBondContact O-N 3.41Å; E231-A234 PolarHBondContact O-N 3.39Å; E231-A235 WeakPolarHBondContact O-CB 3.4Å; E231-A235 PolarHBondContact O-N 2.74Å; E231-R259 IonicContact OE2-CZ 3.98Å; E231-R259 IonicContact OE2-NE 2.98Å; E231-R259 PolarHBondContact OE2-NE 2.88Å; E231-R259 IonicContact OE2-NH2 2.7Å; E231-R259 PolarHBondContact OE2-NH2 3.25Å; E231-H263 VanDerWaalsContact CD-NE2 3.32Å; E231-H263 IonicContact OE1-CE1 3.45Å; E231-H263 IonicContact OE1-NE2 3.91Å; E231-H263 PolarHBondContact OE1-NE2 3.25Å; E231-H263 IonicContact OE2-CD2 2.95Å; E231-H263 IonicContact OE2-CE1 3.34Å; E231-H263 PolarHBondContact OE2-CE1 3.02Å; E231-H263 IonicContact OE2-NE2 3.16Å; E231-H263 PolarHBondContact OE2-NE2 2.91Å |
| 232 | E | 86.1 | Confident | 75.1 | Confident | 41 Ų | 41 | 66.7 Ų | 66.7 | 19% | 0.192 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -63.7 | -38.3 | 176 | -74.4 | -63.4 | 130 | 0 | 0 | 111.5 | A228 A234 A235 L236 P251 R259 | A228-E232 WeakPolarHBondContact O-CG 3.49Å; A228-E232 PolarHBondContact O-N 3.43Å; E232-A234 VanDerWaalsContact C-N 3.33Å; E232-A234 PolarHBondContact O-N 3.3Å; E232-A235 PolarHBondContact O-N 2.79Å; E232-L236 WeakPolarHBondContact O-CG 3.41Å; E232-L236 PolarHBondContact O-N 3.38Å; E232-P251 HydrophobicContact CB-CB 4.16Å; E232-R259 HydrophobicContact CG-CB 3.69Å; E232-R259 HydrophobicContact CG-CG 3.89Å; E232-R259 WeakPolarHBondContact OE1-CB 3.48Å; E232-R259 VanDerWaalsContact OE1-CD 3.28Å; E232-R259 WeakPolarHBondContact OE1-CD 3.28Å; E232-R259 WeakPolarHBondContact OE1-CG 3.3Å; E232-R259 IonicContact OE1-NE 3.73Å |
| 233 | A | 84.2 | Confident | 72.9 | Confident | 53 Ų | 53 | 72.3 Ų | 72.3 | 44% | 0.438 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.7 | -36.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A229 S230 E231 | A229-A233 VanDerWaalsContact O-CB 3.28Å; A229-A233 WeakPolarHBondContact O-CB 3.27Å; A229-A233 PolarHBondContact O-N 2.63Å; S230-A233 PolarHBondContact O-N 3.22Å; E231-A233 VanDerWaalsContact C-N 3.31Å; E231-A233 PolarHBondContact O-N 3.41Å |
| 234 | A | 84.4 | Confident | 70.8 | Confident | 85 Ų | 85 | 71.9 Ų | 71.9 | 70% | 0.702 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -74.4 | -28.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S230 E231 E232 L236 | S230-A234 WeakPolarHBondContact O-CB 3.45Å; S230-A234 PolarHBondContact O-N 3.16Å; E231-A234 PolarHBondContact O-N 3.39Å; E232-A234 VanDerWaalsContact C-N 3.33Å; E232-A234 PolarHBondContact O-N 3.3Å; A234-L236 VanDerWaalsContact C-N 3.34Å |
| 235 | A | 79.1 | Confident | 68.7 | Low | 74 Ų | 74 | 77.7 Ų | 77.7 | 61% | 0.612 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -78.6 | -16.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | E231 E232 | E231-A235 WeakPolarHBondContact O-CB 3.4Å; E231-A235 PolarHBondContact O-N 2.74Å; E232-A235 PolarHBondContact O-N 2.79Å |
| 236 | L | 74.1 | Confident | 66.4 | Low | 68 Ų | 68 | 84.7 Ų | 84.7 | 36% | 0.356 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -70.5 | 130.5 | 176.1 | -73.5 | 165.5 | 0 | 0 | 0 | 110.2 | E232 A234 A238 A249 P251 | E232-L236 WeakPolarHBondContact O-CG 3.41Å; E232-L236 PolarHBondContact O-N 3.38Å; A234-L236 VanDerWaalsContact C-N 3.34Å; L236-A238 PolarHBondContact O-N 2.92Å; L236-A249 VanDerWaalsContact CD1-O 3.28Å; L236-A249 WeakPolarHBondContact CD1-O 3.21Å; L236-P251 HydrophobicContact CD1-CB 4.25Å |
| 237 | P | 59.5 | Low | 64.2 | Low | 115 Ų | 115 | 87 Ų | 87 | 75% | 0.747 | 57% | 0.57 | S | S | * | * | trans | -62.2 | 127.4 | 177.6 | 22.9 | -30 | 0 | 0 | 0 | 109.8 | H239 | P237-H239 VanDerWaalsContact C-N 3.3Å; P237-H239 PolarHBondContact O-N 3.37Å | ||
| 238 | A | 48.1 | Very low | 62.4 | Low | 105 Ų | 105 | 96.6 Ų | 96.6 | 87% | 0.868 | 60% | 0.599 | S | S | * | * | trans | -70 | 88.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | L236 | L236-A238 PolarHBondContact O-N 2.92Š| ||
| 239 | H | 41.4 | Very low | 60.8 | Low | 146 Ų | 146 | 100.2 Ų | 100.2 | 68% | 0.676 | 63% | 0.629 | S | S | * | * | trans | -148.4 | 116.1 | 167.9 | -124.1 | -29 | 0 | 0 | 0 | 112.4 | P237 D241 | P237-H239 VanDerWaalsContact C-N 3.3Å; P237-H239 PolarHBondContact O-N 3.37Å; H239-D241 IonicContact CE1-OD2 2.71Å | ||
| 240 | C | 33.5 | Very low | 59.7 | Low | 114 Ų | 114 | 104.7 Ų | 104.7 | 77% | 0.77 | 65% | 0.65 | S | S | * | * | -160.4 | 131.6 | 103.6 | -92.8 | 0 | 0 | 0 | 0 | 110.1 | S242 | C240-S242 PolarHBondContact O-N 3.28Š| |||
| 241 | D | 41.9 | Very low | 59.1 | Low | 148 Ų | 148 | 102.3 Ų | 102.3 | 79% | 0.791 | 63% | 0.633 | S | S | * | * | trans | -65.8 | 76.1 | 163.3 | -69.9 | -58 | 0 | 0 | 0 | 110.1 | H239 | H239-D241 IonicContact CE1-OD2 2.71Š| ||
| 242 | S | 44.8 | Very low | 59 | Low | 97 Ų | 97 | 102 Ų | 102 | 68% | 0.678 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -151.5 | 130.6 | 164.9 | -77.2 | 0 | 0 | 0 | 0 | 109.9 | C240 G244 | C240-S242 PolarHBondContact O-N 3.28Å; S242-G244 PolarHBondContact O-N 2.95Å; S242-G244 VanDerWaalsContact O-N 3.08Å |
| 243 | P | 44.7 | Very low | 59.1 | Low | 146 Ų | 146 | 101.9 Ų | 101.9 | 95% | 0.948 | 65% | 0.645 | S | S | * | * | trans | -80.5 | 97.3 | -172.7 | 32 | -31 | 0 | 0 | 0 | 109.9 | ||||
| 244 | G | 46.2 | Very low | 59.2 | Low | 50 Ų | 50 | 103.3 Ų | 103.3 | 52% | 0.515 | 65% | 0.648 | S | S | . | * | trans | -144.1 | 135.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | S242 D246 | S242-G244 PolarHBondContact O-N 2.95Å; S242-G244 VanDerWaalsContact O-N 3.08Å; G244-D246 VanDerWaalsContact C-N 3.3Å; G244-D246 PolarHBondContact O-N 2.67Å; G244-D246 VanDerWaalsContact O-N 3.17Å | ||
| 245 | P | 48.2 | Very low | 59.4 | Low | 130 Ų | 130 | 100.4 Ų | 100.4 | 84% | 0.844 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -15.7 | -164.3 | -18 | 30.9 | 0 | 0 | 0 | 116.2 | ||
| 246 | D | 44.9 | Very low | 59.9 | Low | 146 Ų | 146 | 96.9 Ų | 96.9 | 78% | 0.781 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.8 | 48.5 | -160.7 | -65.8 | -38.9 | 0 | 0 | 0 | 115.4 | G244 | G244-D246 VanDerWaalsContact C-N 3.3Å; G244-D246 PolarHBondContact O-N 2.67Å; G244-D246 VanDerWaalsContact O-N 3.17Å |
| 247 | S | 44.4 | Very low | 60.7 | Low | 119 Ų | 119 | 94.8 Ų | 94.8 | 83% | 0.832 | 58% | 0.584 | S | S | * | * | trans | -132.9 | 57.4 | 174.9 | -63.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 248 | R | 51 | Low | 62.3 | Low | 235 Ų | 235 | 89.5 Ų | 89.5 | 89% | 0.887 | 55% | 0.55 | S | S | * | . | trans | -73.2 | 122.6 | 153 | -77.1 | -176 | 175.5 | 179.5 | -1.5 | 107.7 | L250 | R248-L250 PolarHBondContact O-N 3.02Š| ||
| 249 | A | 57.3 | Low | 64.3 | Low | 75 Ų | 75 | 89.1 Ų | 89.1 | 62% | 0.62 | 53% | 0.526 | S | S | * | . | trans | -57.8 | 114.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108 | L236 | L236-A249 VanDerWaalsContact CD1-O 3.28Å; L236-A249 WeakPolarHBondContact CD1-O 3.21Å | ||
| 250 | L | 65.3 | Low | 66.7 | Low | 108 Ų | 108 | 82.2 Ų | 82.2 | 57% | 0.565 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -81.5 | 130.7 | -178.1 | -151.9 | 79 | 0 | 0 | 0 | 108.7 | R248 S252 L458 | R248-L250 PolarHBondContact O-N 3.02Å; L250-S252 PolarHBondContact O-N 3.31Å; L250-L458 HydrophobicContact CD2-CB 3.87Å; L250-L458 HydrophobicContact CD2-CD2 3.77Å; L250-L458 HydrophobicContact CD2-CG 4.39Å; L250-L458 VanDerWaalsContact CD2-O 3.28Å; L250-L458 WeakPolarHBondContact CD2-O 3.38Å; L250-L458 HydrophobicContact CG-CD2 4.02Å |
| 251 | P | 74.9 | Confident | 69.6 | Low | 20 Ų | 20 | 76.8 Ų | 76.8 | 13% | 0.13 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 135.7 | 177.1 | 22.9 | -32.5 | 0 | 0 | 0 | 110.3 | E232 L236 I256 L458 | E232-P251 HydrophobicContact CB-CB 4.16Å; L236-P251 HydrophobicContact CD1-CB 4.25Å; P251-I256 HydrophobicContact CB-CD1 4.27Å; P251-I256 HydrophobicContact CB-CG1 4.08Å; P251-I256 HydrophobicContact CG-CD1 4.13Å; P251-I256 HydrophobicContact CG-CG1 4.4Å; P251-L458 HydrophobicContact CG-CD2 4.46Å; P251-L458 WeakPolarHBondContact O-CD2 3.44Å |
| 252 | S | 85.9 | Confident | 71.9 | Confident | 68 Ų | 68 | 70.5 Ų | 70.5 | 48% | 0.476 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 144.5 | 177.2 | 74.2 | 0 | 0 | 0 | 0 | 110.8 | L250 T254 A255 I256 | L250-S252 PolarHBondContact O-N 3.31Å; S252-T254 PolarHBondContact O-N 2.8Å; S252-T254 VanDerWaalsContact O-N 3.13Å; S252-A255 WeakPolarHBondContact O-CB 3.35Å; S252-A255 PolarHBondContact O-N 2.98Å; S252-A255 VanDerWaalsContact OG-CB 3.25Å; S252-A255 WeakPolarHBondContact OG-CB 3.43Å; S252-A255 PolarHBondContact OG-N 2.97Å; S252-I256 PolarHBondContact O-N 3.4Å |
| 253 | A | 86.9 | Confident | 74.1 | Confident | 37 Ų | 37 | 67.8 Ų | 67.8 | 31% | 0.306 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -52.5 | -36.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L257 L454 L458 | A253-L257 WeakPolarHBondContact O-CB 3.47Å; A253-L257 WeakPolarHBondContact O-CG 3.43Å; A253-L257 PolarHBondContact O-N 3.46Å; A253-L454 HydrophobicContact CB-CD1 4.28Å; A253-L458 HydrophobicContact CB-CD1 4.01Å |
| 254 | T | 86.9 | Confident | 76.3 | Confident | 83 Ų | 83 | 60.9 Ų | 60.9 | 51% | 0.509 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -69.1 | -37.1 | 176.9 | -51.5 | 0 | 0 | 0 | 0 | 112.7 | S252 N258 | S252-T254 PolarHBondContact O-N 2.8Å; S252-T254 VanDerWaalsContact O-N 3.13Å; T254-N258 WeakPolarHBondContact O-CB 3.32Å; T254-N258 PolarHBondContact O-N 2.95Å; T254-N258 PolarHBondContact O-ND2 2.67Å |
| 255 | A | 87.6 | Confident | 78.3 | Confident | 24 Ų | 24 | 58.5 Ų | 58.5 | 20% | 0.198 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66 | -46.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | S252 L257 N258 R259 | S252-A255 WeakPolarHBondContact O-CB 3.35Å; S252-A255 PolarHBondContact O-N 2.98Å; S252-A255 VanDerWaalsContact OG-CB 3.25Å; S252-A255 WeakPolarHBondContact OG-CB 3.43Å; S252-A255 PolarHBondContact OG-N 2.97Å; A255-L257 VanDerWaalsContact C-N 3.34Å; A255-L257 PolarHBondContact O-N 3.35Å; A255-N258 PolarHBondContact O-N 3.29Å; A255-R259 WeakPolarHBondContact O-CB 3.43Å; A255-R259 PolarHBondContact O-N 2.86Å |
| 256 | I | 90.9 | Very high | 79.9 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56.6 | -49.2 | 174.9 | -62 | 172.6 | 0 | 0 | 0 | 110.3 | A228 A229 P251 S252 R259 A260 L454 L458 | A228-I256 HydrophobicContact CB-CG2 4.21Å; A229-I256 HydrophobicContact CB-CD1 3.94Å; A229-I256 HydrophobicContact CB-CG1 4.26Å; A229-I256 HydrophobicContact CB-CG2 3.94Å; P251-I256 HydrophobicContact CB-CD1 4.27Å; P251-I256 HydrophobicContact CB-CG1 4.08Å; P251-I256 HydrophobicContact CG-CD1 4.13Å; P251-I256 HydrophobicContact CG-CG1 4.4Å; S252-I256 PolarHBondContact O-N 3.4Å; I256-R259 PolarHBondContact O-N 2.87Å; I256-A260 WeakPolarHBondContact O-CB 3.37Å; I256-A260 PolarHBondContact O-N 3.47Å; I256-L454 HydrophobicContact CB-CD2 4.33Å; I256-L454 HydrophobicContact CG2-CD2 3.83Å; I256-L458 HydrophobicContact CD1-CD2 3.8Å; I256-L458 HydrophobicContact CD1-CG 4.46Å |
| 257 | L | 91.4 | Very high | 81.5 | Confident | 23 Ų | 23 | 50.8 Ų | 50.8 | 12% | 0.12 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.5 | -53.7 | 177.5 | -77.5 | 172 | 0 | 0 | 0 | 110.9 | L225 A253 A255 R259 A260 Y261 Y450 L454 | L225-L257 HydrophobicContact CD2-CD2 3.77Å; A253-L257 WeakPolarHBondContact O-CB 3.47Å; A253-L257 WeakPolarHBondContact O-CG 3.43Å; A253-L257 PolarHBondContact O-N 3.46Å; A255-L257 VanDerWaalsContact C-N 3.34Å; A255-L257 PolarHBondContact O-N 3.35Å; L257-R259 VanDerWaalsContact C-N 3.26Å; L257-R259 PolarHBondContact O-N 3.26Å; L257-A260 WeakPolarHBondContact O-CA 3.31Å; L257-A260 WeakPolarHBondContact O-CB 3.07Å; L257-A260 PolarHBondContact O-N 3.1Å; L257-Y261 HydrophobicContact CB-CD2 4.41Å; L257-Y261 HydrophobicContact CB-CE2 4.12Å; L257-Y261 HydrophobicContact CD2-CE2 4.15Å; L257-Y261 WeakPolarHBondContact O-CD2 3.26Å; L257-Y261 PolarHBondContact O-N 3.06Å; L257-Y450 HydrophobicContact CD2-CD2 3.96Å; L257-Y450 HydrophobicContact CD2-CG 4.38Å; L257-L454 HydrophobicContact CD1-CD1 3.94Å; L257-L454 HydrophobicContact CD2-CD1 4.14Å; L257-L454 HydrophobicContact CG-CD1 3.91Å |
| 258 | N | 91.8 | Very high | 82.7 | Confident | 5 Ų | 5 | 48.8 Ų | 48.8 | 3% | 0.027 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -51.6 | -45.8 | 178.3 | -75.5 | -24.2 | 0 | 0 | 0 | 111.8 | T254 A255 Y261 M262 L403 R443 | T254-N258 WeakPolarHBondContact O-CB 3.32Å; T254-N258 PolarHBondContact O-N 2.95Å; T254-N258 PolarHBondContact O-ND2 2.67Å; A255-N258 PolarHBondContact O-N 3.29Å; N258-Y261 PolarHBondContact O-N 2.87Å; N258-M262 VanDerWaalsContact O-CG 3.28Å; N258-M262 WeakPolarHBondContact O-CG 3.47Å; N258-M262 PolarHBondContact O-N 2.95Å; N258-L403 HydrophobicContact CB-CD1 3.66Å; N258-R443 VanDerWaalsContact OD1-CZ 3.26Å; N258-R443 PolarHBondContact OD1-NH1 2.96Å; N258-R443 PolarHBondContact OD1-NH2 3.18Å |
| 259 | R | 90.5 | Very high | 83.4 | Confident | 97 Ų | 97 | 42.4 Ų | 42.4 | 37% | 0.366 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.7 | -48.4 | 175.4 | -176.6 | 64.6 | 171.5 | -157.1 | 5.4 | 111.9 | A228 E231 E232 A255 I256 L257 Y261 M262 H263 | A228-R259 HydrophobicContact CB-CB 4.26Å; A228-R259 HydrophobicContact CB-CG 4.14Å; E231-R259 IonicContact OE2-CZ 3.98Å; E231-R259 IonicContact OE2-NE 2.98Å; E231-R259 PolarHBondContact OE2-NE 2.88Å; E231-R259 IonicContact OE2-NH2 2.7Å; E231-R259 PolarHBondContact OE2-NH2 3.25Å; E232-R259 HydrophobicContact CG-CB 3.69Å; E232-R259 HydrophobicContact CG-CG 3.89Å; E232-R259 WeakPolarHBondContact OE1-CB 3.48Å; E232-R259 VanDerWaalsContact OE1-CD 3.28Å; E232-R259 WeakPolarHBondContact OE1-CD 3.28Å; E232-R259 WeakPolarHBondContact OE1-CG 3.3Å; E232-R259 IonicContact OE1-NE 3.73Å; A255-R259 WeakPolarHBondContact O-CB 3.43Å; A255-R259 PolarHBondContact O-N 2.86Å; I256-R259 PolarHBondContact O-N 2.87Å; L257-R259 VanDerWaalsContact C-N 3.26Å; L257-R259 PolarHBondContact O-N 3.26Å; R259-Y261 PolarHBondContact O-N 2.75Å; R259-M262 WeakPolarHBondContact O-CB 3.3Å; R259-M262 PolarHBondContact O-N 2.97Å; R259-M262 VanDerWaalsContact O-N 3.07Å; R259-H263 PolarHBondContact NE-NE2 2.96Å; R259-H263 PolarHBondContact O-N 3.25Å; R259-H263 VanDerWaalsContact O-N 3.09Å |
| 260 | A | 92.3 | Very high | 83.4 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.5 | -47.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | W224 L225 A228 I256 L257 M262 H263 | W224-A260 HydrophobicContact CD2-CB 4.05Å; W224-A260 VanDerWaalsContact CE2-CB 3.42Å; W224-A260 HydrophobicContact CH2-CB 3.96Å; W224-A260 HydrophobicContact CZ2-CB 3.39Å; W224-A260 WeakPolarHBondContact CZ2-O 3.25Å; W224-A260 HydrophobicContact CZ3-CB 4.5Å; W224-A260 PolarHBondContact NE1-O 2.77Å; L225-A260 HydrophobicContact CD2-CB 3.96Å; A228-A260 HydrophobicContact CB-CB 3.5Å; I256-A260 WeakPolarHBondContact O-CB 3.37Å; I256-A260 PolarHBondContact O-N 3.47Å; L257-A260 WeakPolarHBondContact O-CA 3.31Å; L257-A260 WeakPolarHBondContact O-CB 3.07Å; L257-A260 PolarHBondContact O-N 3.1Å; A260-M262 VanDerWaalsContact C-N 3.31Å; A260-M262 PolarHBondContact O-N 3.4Å; A260-H263 WeakPolarHBondContact O-CB 3.33Å; A260-H263 PolarHBondContact O-N 2.89Å |
| 261 | Y | 93.5 | Very high | 83.2 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.4 | -38.7 | 176.3 | -71.4 | -81.8 | 0 | 0 | 0 | 111.7 | W224 L257 N258 R259 H263 L264 M278 F435 V439 N442 R443 Y450 | W224-Y261 HydrophobicContact CH2-CD1 4.32Å; W224-Y261 HydrophobicContact CH2-CE1 4.31Å; W224-Y261 HydrophobicContact CH2-CE2 4.44Å; W224-Y261 HydrophobicContact CH2-CG 4.48Å; W224-Y261 HydrophobicContact CZ2-CD1 4.44Å; W224-Y261 HydrophobicContact CZ2-CG 4.43Å; L257-Y261 HydrophobicContact CB-CD2 4.41Å; L257-Y261 HydrophobicContact CB-CE2 4.12Å; L257-Y261 HydrophobicContact CD2-CE2 4.15Å; L257-Y261 WeakPolarHBondContact O-CD2 3.26Å; L257-Y261 PolarHBondContact O-N 3.06Å; N258-Y261 PolarHBondContact O-N 2.87Å; R259-Y261 PolarHBondContact O-N 2.75Å; Y261-H263 PolarHBondContact O-N 3.26Å; Y261-L264 HydrophobicContact CD1-CD1 4.1Å; Y261-L264 VanDerWaalsContact O-CB 3.3Å; Y261-L264 WeakPolarHBondContact O-CB 3.3Å; Y261-L264 PolarHBondContact O-N 2.89Å; Y261-L264 VanDerWaalsContact O-N 3.08Å; Y261-M278 HydrophobicContact CD1-CE 3.29Å; Y261-M278 HydrophobicContact CE1-CE 2.95Å; Y261-F435 WeakPolarHBondContact O-CZ 3.39Å; Y261-V439 HydrophobicContact CD1-CB 4.07Å; Y261-V439 HydrophobicContact CD1-CG1 3.75Å; Y261-V439 HydrophobicContact CD1-CG2 3.56Å; Y261-V439 HydrophobicContact CD2-CG1 3.81Å; Y261-V439 HydrophobicContact CE1-CB 4.24Å; Y261-V439 HydrophobicContact CE1-CG1 3.83Å; Y261-V439 HydrophobicContact CE1-CG2 4.19Å; Y261-V439 HydrophobicContact CE2-CG1 4.05Å; Y261-V439 HydrophobicContact CG-CB 4.41Å; Y261-V439 HydrophobicContact CG-CG1 3.74Å; Y261-V439 HydrophobicContact CG-CG2 3.9Å; Y261-N442 HydrophobicContact CE1-CB 4.41Å; Y261-N442 WeakPolarHBondContact CE1-OD1 3.49Å; Y261-N442 PolarHBondContact OH-OD1 3.04Å; Y261-R443 HydrophobicContact CE2-CG 3.79Å; Y261-R443 WeakPolarHBondContact OH-CG 3.11Å; Y261-Y450 WeakPolarHBondContact OH-CE2 3.46Å |
| 262 | M | 91.5 | Very high | 82.9 | Confident | 16 Ų | 16 | 49.7 Ų | 49.7 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.4 | -29.5 | 177.3 | -71.2 | -60.3 | -62.9 | 0 | 0 | 113 | N258 R259 A260 L264 L265 R399 L402 L406 F435 | N258-M262 VanDerWaalsContact O-CG 3.28Å; N258-M262 WeakPolarHBondContact O-CG 3.47Å; N258-M262 PolarHBondContact O-N 2.95Å; R259-M262 WeakPolarHBondContact O-CB 3.3Å; R259-M262 PolarHBondContact O-N 2.97Å; R259-M262 VanDerWaalsContact O-N 3.07Å; A260-M262 VanDerWaalsContact C-N 3.31Å; A260-M262 PolarHBondContact O-N 3.4Å; M262-L264 PolarHBondContact O-N 3.34Å; M262-L265 HydrophobicContact CE-CD1 4.23Å; M262-L265 PolarHBondContact O-N 3.05Å; M262-L265 HydrophobicContact SD-CD1 4.24Å; M262-R399 HydrophobicContact CE-CB 3.9Å; M262-R399 HydrophobicContact CE-CG 3.86Å; M262-L402 HydrophobicContact CE-CB 3.95Å; M262-L402 HydrophobicContact CE-CD1 4.34Å; M262-L402 HydrophobicContact SD-CB 4.1Å; M262-L406 HydrophobicContact SD-CD1 4.24Å; M262-F435 HydrophobicContact SD-CE1 3.87Å; M262-F435 HydrophobicContact SD-CZ 4.43Å |
| 263 | H | 90.1 | Very high | 82.7 | Confident | 41 Ų | 41 | 54.1 Ų | 54.1 | 19% | 0.19 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.9 | -29.3 | 173.5 | -64.9 | 160 | 0 | 0 | 0 | 112.8 | E231 R259 A260 Y261 L265 H266 W267 | E231-H263 VanDerWaalsContact CD-NE2 3.32Å; E231-H263 IonicContact OE1-CE1 3.45Å; E231-H263 IonicContact OE1-NE2 3.91Å; E231-H263 PolarHBondContact OE1-NE2 3.25Å; E231-H263 IonicContact OE2-CD2 2.95Å; E231-H263 IonicContact OE2-CE1 3.34Å; E231-H263 PolarHBondContact OE2-CE1 3.02Å; E231-H263 IonicContact OE2-NE2 3.16Å; E231-H263 PolarHBondContact OE2-NE2 2.91Å; R259-H263 PolarHBondContact NE-NE2 2.96Å; R259-H263 PolarHBondContact O-N 3.25Å; R259-H263 VanDerWaalsContact O-N 3.09Å; A260-H263 WeakPolarHBondContact O-CB 3.33Å; A260-H263 PolarHBondContact O-N 2.89Å; Y261-H263 PolarHBondContact O-N 3.26Å; H263-L265 PolarHBondContact O-N 3.43Å; H263-H266 CarbonylContact O-C 3.07Å; H263-H266 PolarHBondContact O-N 3.39Å; H263-W267 PolarHBondContact O-N 3.41Å |
| 264 | L | 91.3 | Very high | 82.8 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.4 | -27.2 | 179.1 | -59.7 | 168.8 | 0 | 0 | 0 | 112.5 | W224 Y261 M262 H266 W267 Y274 P275 M278 L285 | W224-L264 HydrophobicContact CZ2-CD1 3.88Å; W224-L264 HydrophobicContact CZ2-CG 4.2Å; Y261-L264 HydrophobicContact CD1-CD1 4.1Å; Y261-L264 VanDerWaalsContact O-CB 3.3Å; Y261-L264 WeakPolarHBondContact O-CB 3.3Å; Y261-L264 PolarHBondContact O-N 2.89Å; Y261-L264 VanDerWaalsContact O-N 3.08Å; M262-L264 PolarHBondContact O-N 3.34Å; L264-H266 PolarHBondContact O-N 3.41Å; L264-W267 HydrophobicContact CD2-CE3 3.83Å; L264-W267 HydrophobicContact CD2-CZ3 4.02Å; L264-Y274 HydrophobicContact CD2-CE1 4.25Å; L264-Y274 HydrophobicContact CD2-CE2 4.44Å; L264-P275 HydrophobicContact CD2-CG 4.15Å; L264-M278 HydrophobicContact CD1-CE 3.51Å; L264-M278 HydrophobicContact CD1-CG 4.16Å; L264-M278 HydrophobicContact CD1-SD 4.16Å; L264-L285 HydrophobicContact CB-CD1 4.38Å; L264-L285 HydrophobicContact CD1-CD1 4.06Å |
| 265 | L | 88.6 | Confident | 83 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -6.9 | 175.9 | -65.5 | 175.4 | 0 | 0 | 0 | 113.6 | M262 H263 L288 S289 L292 L402 F435 | M262-L265 HydrophobicContact CE-CD1 4.23Å; M262-L265 PolarHBondContact O-N 3.05Å; M262-L265 HydrophobicContact SD-CD1 4.24Å; H263-L265 PolarHBondContact O-N 3.43Å; L265-L288 HydrophobicContact CD2-CB 4.16Å; L265-S289 WeakPolarHBondContact O-CB 3.28Å; L265-S289 PolarHBondContact O-OG 3.2Å; L265-L292 HydrophobicContact CB-CD2 3.98Å; L265-L292 HydrophobicContact CD1-CD2 4.16Å; L265-L402 HydrophobicContact CD1-CD1 3.72Å; L265-F435 HydrophobicContact CD1-CD1 3.98Å; L265-F435 HydrophobicContact CD1-CD2 4.32Å; L265-F435 HydrophobicContact CD1-CE1 3.68Å; L265-F435 HydrophobicContact CD1-CE2 4.08Å; L265-F435 HydrophobicContact CD1-CG 4.28Å; L265-F435 HydrophobicContact CD1-CZ 3.75Å; L265-F435 HydrophobicContact CD2-CD2 3.81Å; L265-F435 HydrophobicContact CD2-CE2 3.87Å; L265-F435 HydrophobicContact CD2-CG 4.3Å; L265-F435 HydrophobicContact CD2-CZ 4.39Å; L265-F435 HydrophobicContact CG-CD2 4.18Å; L265-F435 HydrophobicContact CG-CE1 4.3Å; L265-F435 HydrophobicContact CG-CE2 3.79Å; L265-F435 HydrophobicContact CG-CZ 3.85Å |
| 266 | H | 80.4 | Confident | 83.1 | Confident | 88 Ų | 88 | 49.2 Ų | 49.2 | 41% | 0.407 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -133.4 | 28 | 178.1 | -56.4 | 80 | 0 | 0 | 0 | 110.7 | H263 L264 D268 | H263-H266 CarbonylContact O-C 3.07Å; H263-H266 PolarHBondContact O-N 3.39Å; L264-H266 PolarHBondContact O-N 3.41Å; H266-D268 PolarHBondContact O-N 2.89Å |
| 267 | W | 78.8 | Confident | 83.1 | Confident | 27 Ų | 27 | 49.3 Ų | 49.3 | 10% | 0.102 | 25% | 0.25 | C | C | . | . | trans | -62.6 | 129.9 | -174.4 | -162.5 | -91.6 | 0 | 0 | 0 | 111.3 | W224 H263 L264 P269 Q272 K273 Y274 P275 | W224-W267 AromaticContact CD1-CZ3 3.73Å; H263-W267 PolarHBondContact O-N 3.41Å; L264-W267 HydrophobicContact CD2-CE3 3.83Å; L264-W267 HydrophobicContact CD2-CZ3 4.02Å; W267-P269 VanDerWaalsContact O-CD 3.29Å; W267-P269 WeakPolarHBondContact O-CD 3.13Å; W267-Q272 HydrophobicContact CH2-CB 4.06Å; W267-Q272 HydrophobicContact CZ2-CB 3.37Å; W267-Q272 PolarHBondContact NE1-O 3.4Å; W267-K273 VanDerWaalsContact CZ2-O 3.27Å; W267-K273 WeakPolarHBondContact CZ2-O 3.47Å; W267-Y274 HydrophobicContact CB-CE2 4.2Å; W267-Y274 AromaticContact CD1-CD2 3.67Å; W267-Y274 AromaticContact CD1-CE2 3.84Å; W267-Y274 HydrophobicContact CD2-CD2 4.05Å; W267-Y274 HydrophobicContact CD2-CE2 4.06Å; W267-Y274 AromaticContact CE2-CD2 3.83Å; W267-Y274 AromaticContact CG-CD2 3.94Å; W267-Y274 HydrophobicContact CG-CD2 3.94Å; W267-Y274 AromaticContact CG-CE2 3.74Å; W267-Y274 HydrophobicContact CG-CE2 3.74Å; W267-Y274 AromaticContact NE1-CD2 3.6Å; W267-P275 HydrophobicContact CH2-CG 4.26Å | ||
| 268 | D | 70.8 | Confident | 83.1 | Confident | 77 Ų | 77 | 48.3 Ų | 48.3 | 41% | 0.412 | 24% | 0.244 | S | C | . | . | trans | -78.4 | 117.4 | 176.1 | 178 | 15.5 | 0 | 0 | 0 | 110.3 | H266 H270 G271 | H266-D268 PolarHBondContact O-N 2.89Å; D268-H270 PolarHBondContact O-N 3.13Å; D268-H270 PolarHBondContact OD1-N 3.05Å; D268-G271 PolarHBondContact OD2-N 3.34Å; D268-G271 VanDerWaalsContact OD2-N 3.14Å | ||
| 269 | P | 64 | Low | 83 | Confident | 100 Ų | 100 | 52.5 Ų | 52.5 | 65% | 0.649 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -21.7 | 177.4 | -20.3 | 33.6 | 0 | 0 | 0 | 114.1 | W267 | W267-P269 VanDerWaalsContact O-CD 3.29Å; W267-P269 WeakPolarHBondContact O-CD 3.13Å |
| 270 | H | 58.2 | Low | 83 | Confident | 182 Ų | 182 | 49.8 Ų | 49.8 | 84% | 0.843 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | -18.4 | -171.1 | -65.8 | -66.1 | 0 | 0 | 0 | 114.7 | D268 | D268-H270 PolarHBondContact O-N 3.13Å; D268-H270 PolarHBondContact OD1-N 3.05Å |
| 271 | G | 61.5 | Low | 83 | Confident | 58 Ų | 58 | 49.9 Ų | 49.9 | 60% | 0.598 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.9 | -39.4 | -169.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | D268 | D268-G271 PolarHBondContact OD2-N 3.34Å; D268-G271 VanDerWaalsContact OD2-N 3.14Å |
| 272 | Q | 68.4 | Low | 82.9 | Confident | 117 Ų | 117 | 55.5 Ų | 55.5 | 55% | 0.547 | 28% | 0.28 | S | S | . | . | trans | -120 | 134.6 | -168 | -68.3 | -177.8 | -0 | 0 | 0 | 113.2 | W267 Y274 | W267-Q272 HydrophobicContact CH2-CB 4.06Å; W267-Q272 HydrophobicContact CZ2-CB 3.37Å; W267-Q272 PolarHBondContact NE1-O 3.4Å; Q272-Y274 PolarHBondContact O-N 3.01Å | ||
| 273 | K | 81.8 | Confident | 82.8 | Confident | 160 Ų | 160 | 58.6 Ų | 58.6 | 70% | 0.696 | 30% | 0.303 | S | S | * | . | P | Polyproline II helix | trans | -71.9 | 125.9 | 172.9 | -69.5 | -179.6 | -179.4 | 178.8 | 0 | 109.8 | N220 W267 | N220-K273 HydrophobicContact CB-CB 4.27Å; N220-K273 WeakPolarHBondContact OD1-CB 3.19Å; N220-K273 VanDerWaalsContact OD1-CD 3.24Å; N220-K273 WeakPolarHBondContact OD1-CD 3.45Å; W267-K273 VanDerWaalsContact CZ2-O 3.27Å; W267-K273 WeakPolarHBondContact CZ2-O 3.47Å |
| 274 | Y | 88 | Confident | 82.9 | Confident | 14 Ų | 14 | 59 Ų | 59 | 6% | 0.055 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 142.9 | -178.6 | -139 | -100.4 | 0 | 0 | 0 | 111.6 | L264 W267 Q272 E276 M278 R282 L285 | L264-Y274 HydrophobicContact CD2-CE1 4.25Å; L264-Y274 HydrophobicContact CD2-CE2 4.44Å; W267-Y274 HydrophobicContact CB-CE2 4.2Å; W267-Y274 AromaticContact CD1-CD2 3.67Å; W267-Y274 AromaticContact CD1-CE2 3.84Å; W267-Y274 HydrophobicContact CD2-CD2 4.05Å; W267-Y274 HydrophobicContact CD2-CE2 4.06Å; W267-Y274 AromaticContact CE2-CD2 3.83Å; W267-Y274 AromaticContact CG-CD2 3.94Å; W267-Y274 HydrophobicContact CG-CD2 3.94Å; W267-Y274 AromaticContact CG-CE2 3.74Å; W267-Y274 HydrophobicContact CG-CE2 3.74Å; W267-Y274 AromaticContact NE1-CD2 3.6Å; Q272-Y274 PolarHBondContact O-N 3.01Å; Y274-E276 PolarHBondContact O-N 3.17Å; Y274-M278 HydrophobicContact CD1-CB 3.81Å; Y274-M278 HydrophobicContact CE1-CB 3.6Å; Y274-R282 HydrophobicContact CD1-CB 4.16Å; Y274-R282 HydrophobicContact CD1-CG 4.34Å; Y274-R282 HydrophobicContact CD2-CG 4.21Å; Y274-R282 HydrophobicContact CE1-CB 3.92Å; Y274-R282 HydrophobicContact CE1-CG 4.2Å; Y274-R282 HydrophobicContact CE2-CG 4.09Å; Y274-R282 HydrophobicContact CG-CG 4.34Å; Y274-L285 HydrophobicContact CE1-CD1 4.18Å; Y274-L285 WeakPolarHBondContact OH-CB 3.36Å; Y274-L285 WeakPolarHBondContact OH-CD1 3.49Å |
| 275 | P | 90.9 | Very high | 82.9 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 134.3 | 175.7 | -23.7 | 34.3 | 0 | 0 | 0 | 111.3 | W224 L264 W267 S277 M278 L279 | W224-P275 HydrophobicContact CB-CG 3.84Å; W224-P275 HydrophobicContact CD2-CB 4.22Å; W224-P275 HydrophobicContact CD2-CG 3.58Å; W224-P275 HydrophobicContact CE3-CB 4.03Å; W224-P275 HydrophobicContact CE3-CG 3.92Å; W224-P275 HydrophobicContact CG-CB 4.5Å; W224-P275 HydrophobicContact CG-CG 3.57Å; L264-P275 HydrophobicContact CD2-CG 4.15Å; W267-P275 HydrophobicContact CH2-CG 4.26Å; P275-S277 VanDerWaalsContact C-N 3.27Å; P275-S277 PolarHBondContact O-N 3.46Å; P275-M278 HydrophobicContact CB-CB 4.18Å; P275-M278 HydrophobicContact CB-CG 4.1Å; P275-M278 WeakPolarHBondContact O-CA 3.37Å; P275-M278 WeakPolarHBondContact O-CB 3.04Å; P275-M278 PolarHBondContact O-N 2.84Å; P275-L279 PolarHBondContact O-N 3.48Å |
| 276 | E | 90.9 | Very high | 83 | Confident | 27 Ų | 27 | 61.4 Ų | 61.4 | 13% | 0.126 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -61.5 | -38.8 | -175.3 | -58.1 | 90.6 | 170 | 0 | 0 | 111.8 | S217 D219 N220 T221 Y274 M278 L279 | S217-E276 WeakPolarHBondContact O-CG 3.49Å; D219-E276 PolarHBondContact N-OE1 2.69Å; N220-E276 VanDerWaalsContact CB-OE1 3.25Å; N220-E276 WeakPolarHBondContact CB-OE1 3.39Å; N220-E276 VanDerWaalsContact CG-OE1 3.27Å; N220-E276 PolarHBondContact N-OE1 3.45Å; N220-E276 PolarHBondContact ND2-OE1 2.94Å; T221-E276 VanDerWaalsContact CB-OE2 3.31Å; T221-E276 WeakPolarHBondContact CB-OE2 3.49Å; T221-E276 PolarHBondContact N-OE2 2.92Å; T221-E276 PolarHBondContact OG1-N 3.08Å; T221-E276 PolarHBondContact OG1-OE2 3.14Å; Y274-E276 PolarHBondContact O-N 3.17Å; E276-M278 PolarHBondContact O-N 3.49Å; E276-M278 VanDerWaalsContact O-N 3.07Å; E276-L279 HydrophobicContact CB-CD1 4.36Å; E276-L279 PolarHBondContact O-N 3.35Å |
| 277 | S | 90.8 | Very high | 83.5 | Confident | 4 Ų | 4 | 59.3 Ų | 59.3 | 3% | 0.028 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -64.3 | -7.7 | 174.9 | 58.6 | 0 | 0 | 0 | 0 | 114.7 | P275 N442 F446 Y450 | P275-S277 VanDerWaalsContact C-N 3.27Å; P275-S277 PolarHBondContact O-N 3.46Å; S277-N442 PolarHBondContact O-ND2 3.38Å; S277-F446 WeakPolarHBondContact O-CE2 3.28Å; S277-Y450 WeakPolarHBondContact CB-OH 3.23Å; S277-Y450 WeakPolarHBondContact OG-CE1 3.48Å; S277-Y450 PolarHBondContact OG-OH 2.92Å |
| 278 | M | 91.6 | Very high | 84.1 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -117 | -0.9 | -177.2 | -69.5 | -68.2 | -162.3 | 0 | 0 | 114.1 | W224 Y261 L264 Y274 P275 E276 M280 D281 R282 L285 N442 | W224-M278 HydrophobicContact CH2-CE 4.05Å; W224-M278 HydrophobicContact CZ2-CE 4.49Å; Y261-M278 HydrophobicContact CD1-CE 3.29Å; Y261-M278 HydrophobicContact CE1-CE 2.95Å; L264-M278 HydrophobicContact CD1-CE 3.51Å; L264-M278 HydrophobicContact CD1-CG 4.16Å; L264-M278 HydrophobicContact CD1-SD 4.16Å; Y274-M278 HydrophobicContact CD1-CB 3.81Å; Y274-M278 HydrophobicContact CE1-CB 3.6Å; P275-M278 HydrophobicContact CB-CB 4.18Å; P275-M278 HydrophobicContact CB-CG 4.1Å; P275-M278 WeakPolarHBondContact O-CA 3.37Å; P275-M278 WeakPolarHBondContact O-CB 3.04Å; P275-M278 PolarHBondContact O-N 2.84Å; E276-M278 PolarHBondContact O-N 3.49Å; E276-M278 VanDerWaalsContact O-N 3.07Å; M278-M280 VanDerWaalsContact C-N 3.26Å; M278-M280 PolarHBondContact O-N 3.2Å; M278-D281 PolarHBondContact O-N 3.39Å; M278-R282 PolarHBondContact O-N 3.36Å; M278-L285 HydrophobicContact SD-CD1 4.33Å; M278-N442 HydrophobicContact CE-CB 4.31Å; M278-N442 WeakPolarHBondContact CE-OD1 3.29Å; M278-N442 HydrophobicContact SD-CB 4.39Å; M278-N442 PolarHBondContact SD-ND2 3.48Å |
| 279 | L | 89.6 | Confident | 85.1 | Confident | 94 Ų | 94 | 55.5 Ų | 55.5 | 49% | 0.492 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -60.2 | -34.9 | -172.5 | -74.9 | 170 | 0 | 0 | 0 | 113.4 | P275 E276 D281 R282 | P275-L279 PolarHBondContact O-N 3.48Å; E276-L279 HydrophobicContact CB-CD1 4.36Å; E276-L279 PolarHBondContact O-N 3.35Å; L279-D281 VanDerWaalsContact C-N 3.27Å; L279-D281 PolarHBondContact O-N 3.42Å; L279-R282 WeakPolarHBondContact O-CB 3.14Å; L279-R282 PolarHBondContact O-N 2.9Å |
| 280 | M | 90.3 | Very high | 86.3 | Confident | 39 Ų | 39 | 54.6 Ų | 54.6 | 19% | 0.192 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -66.3 | -29.6 | 178.7 | -60.9 | -175 | -67.1 | 0 | 0 | 112.4 | L33 H37 M278 R284 F446 | L33-M280 HydrophobicContact CD2-SD 4.43Å; L33-M280 HydrophobicContact CG-CE 4.41Å; L33-M280 HydrophobicContact CG-SD 3.89Å; H37-M280 HydrophobicContact CB-CE 4.11Å; H37-M280 HydrophobicContact CB-SD 3.68Å; M278-M280 VanDerWaalsContact C-N 3.26Å; M278-M280 PolarHBondContact O-N 3.2Å; M280-R284 PolarHBondContact O-NH2 3.19Å; M280-R284 VanDerWaalsContact O-NH2 3.17Å; M280-F446 HydrophobicContact CE-CZ 4.01Å |
| 281 | D | 92.8 | Very high | 87.8 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.011 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -99 | 3.2 | -178.9 | -74.7 | -52.3 | 0 | 0 | 0 | 113.7 | H37 M278 L279 S283 R284 L285 I438 | H37-D281 IonicContact CE1-OD1 3.57Å; H37-D281 IonicContact CE1-OD2 2.69Å; H37-D281 PolarHBondContact CE1-OD2 3.01Å; H37-D281 IonicContact NE2-OD1 3.02Å; H37-D281 PolarHBondContact NE2-OD1 3.39Å; H37-D281 IonicContact NE2-OD2 3.36Å; H37-D281 PolarHBondContact NE2-OD2 3.49Å; M278-D281 PolarHBondContact O-N 3.39Å; L279-D281 VanDerWaalsContact C-N 3.27Å; L279-D281 PolarHBondContact O-N 3.42Å; D281-S283 PolarHBondContact O-N 2.83Å; D281-R284 WeakPolarHBondContact O-CB 3.35Å; D281-R284 PolarHBondContact O-N 2.91Å; D281-R284 VanDerWaalsContact O-N 3.13Å; D281-R284 IonicContact OD1-CZ 3.96Å; D281-R284 VanDerWaalsContact OD1-CZ 3.28Å; D281-R284 IonicContact OD1-NE 3.9Å; D281-R284 PolarHBondContact OD1-NE 2.89Å; D281-R284 IonicContact OD1-NH2 2.87Å; D281-R284 PolarHBondContact OD1-NH2 2.89Å; D281-L285 HydrophobicContact CB-CD1 4.13Å; D281-L285 HydrophobicContact CB-CG 4.44Å; D281-L285 WeakPolarHBondContact O-CG 3.36Å; D281-L285 PolarHBondContact O-N 3.4Å; D281-I438 HydrophobicContact CB-CG2 3.94Å |
| 282 | R | 90.5 | Very high | 89.3 | Confident | 118 Ų | 118 | 48.5 Ų | 48.5 | 45% | 0.445 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -53 | -52.1 | -175.4 | 176.2 | -179.2 | 172.6 | 178 | 2.9 | 112.7 | Y274 M278 L279 R284 L285 D286 | Y274-R282 HydrophobicContact CD1-CB 4.16Å; Y274-R282 HydrophobicContact CD1-CG 4.34Å; Y274-R282 HydrophobicContact CD2-CG 4.21Å; Y274-R282 HydrophobicContact CE1-CB 3.92Å; Y274-R282 HydrophobicContact CE1-CG 4.2Å; Y274-R282 HydrophobicContact CE2-CG 4.09Å; Y274-R282 HydrophobicContact CG-CG 4.34Å; M278-R282 PolarHBondContact O-N 3.36Å; L279-R282 WeakPolarHBondContact O-CB 3.14Å; L279-R282 PolarHBondContact O-N 2.9Å; R282-R284 VanDerWaalsContact C-N 3.28Å; R282-R284 PolarHBondContact O-N 3.22Å; R282-L285 PolarHBondContact O-N 3.43Å; R282-D286 IonicContact NE-OD2 3.17Å; R282-D286 WeakPolarHBondContact O-CB 3.43Å; R282-D286 PolarHBondContact O-N 3.01Å |
| 283 | S | 89.5 | Confident | 90.3 | Very high | 82 Ų | 82 | 46.1 Ų | 46.1 | 57% | 0.573 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -63 | -36.2 | -178.2 | 57.4 | 0 | 0 | 0 | 0 | 112.3 | D281 A287 | D281-S283 PolarHBondContact O-N 2.83Å; S283-A287 WeakPolarHBondContact O-CB 3.44Å; S283-A287 PolarHBondContact O-N 3.12Å |
| 284 | R | 91.8 | Very high | 90.6 | Very high | 49 Ų | 49 | 40.2 Ų | 40.2 | 19% | 0.185 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.8 | -44.4 | 175.1 | -73.9 | -176.1 | -87.1 | -83.9 | 0.7 | 111.5 | H37 E38 M280 D281 R282 A287 L288 I438 | H37-R284 PolarHBondContact CD2-NH2 2.69Å; H37-R284 VanDerWaalsContact CD2-NH2 3.29Å; H37-R284 PolarHBondContact NE2-NH2 3.32Å; E38-R284 IonicContact OE1-CZ 2.76Å; E38-R284 IonicContact OE1-NH1 3.6Å; E38-R284 PolarHBondContact OE1-NH1 3.39Å; E38-R284 IonicContact OE1-NH2 3.69Å; E38-R284 PolarHBondContact OE1-NH2 2.92Å; E38-R284 IonicContact OE2-CZ 2.64Å; E38-R284 IonicContact OE2-NH1 4Å; E38-R284 PolarHBondContact OE2-NH1 2.93Å; M280-R284 PolarHBondContact O-NH2 3.19Å; M280-R284 VanDerWaalsContact O-NH2 3.17Å; D281-R284 WeakPolarHBondContact O-CB 3.35Å; D281-R284 PolarHBondContact O-N 2.91Å; D281-R284 VanDerWaalsContact O-N 3.13Å; D281-R284 IonicContact OD1-CZ 3.96Å; D281-R284 VanDerWaalsContact OD1-CZ 3.28Å; D281-R284 IonicContact OD1-NE 3.9Å; D281-R284 PolarHBondContact OD1-NE 2.89Å; D281-R284 IonicContact OD1-NH2 2.87Å; D281-R284 PolarHBondContact OD1-NH2 2.89Å; R282-R284 VanDerWaalsContact C-N 3.28Å; R282-R284 PolarHBondContact O-N 3.22Å; R284-A287 PolarHBondContact O-N 2.96Å; R284-L288 VanDerWaalsContact O-CG 3.29Å; R284-L288 WeakPolarHBondContact O-CG 3.34Å; R284-L288 PolarHBondContact O-N 3.38Å; R284-I438 HydrophobicContact CB-CD1 3.98Å |
| 285 | L | 92.6 | Very high | 90.8 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.7 | -38.4 | 178.1 | -71.3 | 166.9 | 0 | 0 | 0 | 111.9 | L264 Y274 M278 D281 R282 L288 S289 F435 I438 | L264-L285 HydrophobicContact CB-CD1 4.38Å; L264-L285 HydrophobicContact CD1-CD1 4.06Å; Y274-L285 HydrophobicContact CE1-CD1 4.18Å; Y274-L285 WeakPolarHBondContact OH-CB 3.36Å; Y274-L285 WeakPolarHBondContact OH-CD1 3.49Å; M278-L285 HydrophobicContact SD-CD1 4.33Å; D281-L285 HydrophobicContact CB-CD1 4.13Å; D281-L285 HydrophobicContact CB-CG 4.44Å; D281-L285 WeakPolarHBondContact O-CG 3.36Å; D281-L285 PolarHBondContact O-N 3.4Å; R282-L285 PolarHBondContact O-N 3.43Å; L285-L288 PolarHBondContact O-N 3.3Å; L285-S289 WeakPolarHBondContact O-CB 3.44Å; L285-S289 PolarHBondContact O-N 3.38Å; L285-F435 HydrophobicContact CD2-CD2 3.87Å; L285-F435 HydrophobicContact CD2-CE2 3.84Å; L285-I438 HydrophobicContact CD2-CD1 4.34Å; L285-I438 HydrophobicContact CD2-CG2 4.25Å; L285-I438 HydrophobicContact CG-CG2 4.47Å |
| 286 | D | 89.5 | Confident | 90.8 | Very high | 50 Ų | 50 | 41.1 Ų | 41.1 | 27% | 0.267 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.8 | -43.4 | 174.2 | -69.9 | -17 | 0 | 0 | 0 | 110.8 | R282 S289 Q290 | R282-D286 IonicContact NE-OD2 3.17Å; R282-D286 WeakPolarHBondContact O-CB 3.43Å; R282-D286 PolarHBondContact O-N 3.01Å; D286-S289 WeakPolarHBondContact O-CB 3.49Å; D286-S289 PolarHBondContact O-N 3.44Å; D286-Q290 WeakPolarHBondContact O-CG 3.45Å; D286-Q290 PolarHBondContact O-N 2.92Å |
| 287 | A | 90.4 | Very high | 90.8 | Very high | 44 Ų | 44 | 40 Ų | 40 | 36% | 0.364 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.6 | -43 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S283 R284 S289 Q290 Q291 | S283-A287 WeakPolarHBondContact O-CB 3.44Å; S283-A287 PolarHBondContact O-N 3.12Å; R284-A287 PolarHBondContact O-N 2.96Å; A287-S289 VanDerWaalsContact C-N 3.34Å; A287-S289 PolarHBondContact O-N 2.9Å; A287-Q290 PolarHBondContact O-N 3.35Å; A287-Q291 WeakPolarHBondContact O-CG 3.3Å; A287-Q291 PolarHBondContact O-N 2.83Å |
| 288 | L | 92.7 | Very high | 90.9 | Very high | 10 Ų | 10 | 40.4 Ų | 40.4 | 5% | 0.052 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.1 | -38.7 | 175.4 | -71.7 | 170.7 | 0 | 0 | 0 | 112 | L265 R284 L285 Q291 L292 L431 A434 F435 I438 | L265-L288 HydrophobicContact CD2-CB 4.16Å; R284-L288 VanDerWaalsContact O-CG 3.29Å; R284-L288 WeakPolarHBondContact O-CG 3.34Å; R284-L288 PolarHBondContact O-N 3.38Å; L285-L288 PolarHBondContact O-N 3.3Å; L288-Q291 PolarHBondContact O-N 3.26Å; L288-L292 VanDerWaalsContact O-CB 3.25Å; L288-L292 WeakPolarHBondContact O-CB 3.25Å; L288-L292 PolarHBondContact O-N 2.76Å; L288-L431 HydrophobicContact CD2-CG 4.08Å; L288-A434 HydrophobicContact CD2-CB 3.92Å; L288-F435 HydrophobicContact CD1-CB 4.18Å; L288-F435 HydrophobicContact CD1-CD2 4.48Å; L288-I438 HydrophobicContact CD1-CD1 3.67Å |
| 289 | S | 90.8 | Very high | 90.9 | Very high | 13 Ų | 13 | 40.4 Ų | 40.4 | 9% | 0.091 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.5 | -46.5 | 174 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | L265 L285 D286 A287 L292 Q293 | L265-S289 WeakPolarHBondContact O-CB 3.28Å; L265-S289 PolarHBondContact O-OG 3.2Å; L285-S289 WeakPolarHBondContact O-CB 3.44Å; L285-S289 PolarHBondContact O-N 3.38Å; D286-S289 WeakPolarHBondContact O-CB 3.49Å; D286-S289 PolarHBondContact O-N 3.44Å; A287-S289 VanDerWaalsContact C-N 3.34Å; A287-S289 PolarHBondContact O-N 2.9Å; S289-L292 WeakPolarHBondContact O-CB 3.47Å; S289-L292 PolarHBondContact O-N 3.25Å; S289-Q293 WeakPolarHBondContact O-CG 3.22Å; S289-Q293 PolarHBondContact O-N 3.15Å |
| 290 | Q | 89.1 | Confident | 91 | Very high | 81 Ų | 81 | 35.9 Ų | 35.9 | 38% | 0.379 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.4 | -49.7 | 175.7 | -70.4 | 170.5 | 0.3 | 0 | 0 | 111.4 | D286 A287 L292 Q293 M294 | D286-Q290 WeakPolarHBondContact O-CG 3.45Å; D286-Q290 PolarHBondContact O-N 2.92Å; A287-Q290 PolarHBondContact O-N 3.35Å; Q290-L292 VanDerWaalsContact C-N 3.27Å; Q290-L292 PolarHBondContact O-N 2.93Å; Q290-Q293 PolarHBondContact O-N 3.47Å; Q290-Q293 VanDerWaalsContact O-N 3.16Å; Q290-M294 WeakPolarHBondContact O-CG 3.09Å; Q290-M294 PolarHBondContact O-N 2.88Å |
| 291 | Q | 90.8 | Very high | 91.1 | Very high | 109 Ų | 109 | 34 Ų | 34 | 51% | 0.509 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -56.7 | -41.8 | 176.4 | -73.7 | -179 | -29.3 | 0 | 0 | 112 | A287 L288 M294 L295 L431 | A287-Q291 WeakPolarHBondContact O-CG 3.3Å; A287-Q291 PolarHBondContact O-N 2.83Å; L288-Q291 PolarHBondContact O-N 3.26Å; Q291-M294 PolarHBondContact O-N 3.46Å; Q291-L295 WeakPolarHBondContact O-CG 3.41Å; Q291-L295 PolarHBondContact O-N 2.9Å; Q291-L431 HydrophobicContact CB-CD1 3.9Å |
| 292 | L | 91.8 | Very high | 91 | Very high | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.016 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.9 | -46.3 | 177 | 176.2 | 63.2 | 0 | 0 | 0 | 111.6 | L265 L288 S289 Q290 M294 L295 V296 V398 L402 L431 | L265-L292 HydrophobicContact CB-CD2 3.98Å; L265-L292 HydrophobicContact CD1-CD2 4.16Å; L288-L292 VanDerWaalsContact O-CB 3.25Å; L288-L292 WeakPolarHBondContact O-CB 3.25Å; L288-L292 PolarHBondContact O-N 2.76Å; S289-L292 WeakPolarHBondContact O-CB 3.47Å; S289-L292 PolarHBondContact O-N 3.25Å; Q290-L292 VanDerWaalsContact C-N 3.27Å; Q290-L292 PolarHBondContact O-N 2.93Å; L292-M294 VanDerWaalsContact C-N 3.31Å; L292-M294 PolarHBondContact O-N 3.24Å; L292-L295 PolarHBondContact O-N 3.44Å; L292-V296 HydrophobicContact CD1-CG2 4.35Å; L292-V296 VanDerWaalsContact O-CG2 3.31Å; L292-V296 WeakPolarHBondContact O-CG2 3.2Å; L292-V296 PolarHBondContact O-N 3.41Å; L292-V398 HydrophobicContact CD1-CB 4.47Å; L292-V398 HydrophobicContact CD1-CG1 3.33Å; L292-L402 HydrophobicContact CD1-CD1 4.08Å; L292-L402 HydrophobicContact CD2-CD1 4.29Å; L292-L431 HydrophobicContact CB-CD1 3.87Å |
| 293 | Q | 89.4 | Confident | 91 | Very high | 68 Ų | 68 | 29.7 Ų | 29.7 | 32% | 0.318 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -61 | -41.4 | 177.7 | -69.4 | 176.9 | 13 | 0 | 0 | 111.6 | S289 Q290 V296 L297 | S289-Q293 WeakPolarHBondContact O-CG 3.22Å; S289-Q293 PolarHBondContact O-N 3.15Å; Q290-Q293 PolarHBondContact O-N 3.47Å; Q290-Q293 VanDerWaalsContact O-N 3.16Å; Q293-V296 PolarHBondContact O-N 3.32Å; Q293-L297 WeakPolarHBondContact O-CG 3.39Å; Q293-L297 PolarHBondContact O-N 2.89Å |
| 294 | M | 89.5 | Confident | 91 | Very high | 36 Ų | 36 | 26.1 Ų | 26.1 | 18% | 0.177 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.9 | -45.1 | 176.5 | -59.6 | -38.4 | -62.5 | 0 | 0 | 111.9 | Q290 Q291 L292 V296 L297 E298 L331 H335 | Q290-M294 WeakPolarHBondContact O-CG 3.09Å; Q290-M294 PolarHBondContact O-N 2.88Å; Q291-M294 PolarHBondContact O-N 3.46Å; L292-M294 VanDerWaalsContact C-N 3.31Å; L292-M294 PolarHBondContact O-N 3.24Å; M294-V296 VanDerWaalsContact C-N 3.32Å; M294-V296 PolarHBondContact O-N 2.91Å; M294-L297 HydrophobicContact CE-CD1 4.39Å; M294-L297 WeakPolarHBondContact O-CB 3.25Å; M294-L297 PolarHBondContact O-N 2.96Å; M294-E298 WeakPolarHBondContact O-CB 3.24Å; M294-E298 PolarHBondContact O-N 3.39Å; M294-L331 HydrophobicContact CE-CB 3.4Å; M294-L331 VanDerWaalsContact CE-CB 3.4Å; M294-L331 HydrophobicContact CE-CD1 4.12Å; M294-L331 HydrophobicContact CE-CD2 4.48Å; M294-L331 HydrophobicContact CE-CG 4.21Å; M294-L331 WeakPolarHBondContact CE-O 3.23Å; M294-H335 HydrophobicContact SD-CB 3.89Å |
| 295 | L | 91.1 | Very high | 90.8 | Very high | 21 Ų | 21 | 23.8 Ų | 23.8 | 11% | 0.11 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.7 | -37.7 | 177.6 | -73.2 | 173.3 | 0 | 0 | 0 | 112.4 | Q291 L292 L297 E298 A299 E427 L431 | Q291-L295 WeakPolarHBondContact O-CG 3.41Å; Q291-L295 PolarHBondContact O-N 2.9Å; L292-L295 PolarHBondContact O-N 3.44Å; L295-L297 VanDerWaalsContact C-N 3.34Å; L295-E298 PolarHBondContact O-N 3.2Å; L295-A299 VanDerWaalsContact O-CB 3.29Å; L295-A299 WeakPolarHBondContact O-CB 3.19Å; L295-A299 PolarHBondContact O-N 3.38Å; L295-E427 HydrophobicContact CD1-CB 4.13Å; L295-E427 HydrophobicContact CD2-CB 3.61Å; L295-E427 HydrophobicContact CD2-CG 4.26Å; L295-L431 HydrophobicContact CD1-CD1 3.9Å |
| 296 | V | 91.5 | Very high | 90.5 | Very high | 12 Ų | 12 | 24.6 Ų | 24.6 | 7% | 0.073 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.5 | -41.5 | 174.6 | 167.9 | 0 | 0 | 0 | 0 | 110.8 | L292 Q293 M294 S300 R391 I394 V398 | L292-V296 HydrophobicContact CD1-CG2 4.35Å; L292-V296 VanDerWaalsContact O-CG2 3.31Å; L292-V296 WeakPolarHBondContact O-CG2 3.2Å; L292-V296 PolarHBondContact O-N 3.41Å; Q293-V296 PolarHBondContact O-N 3.32Å; M294-V296 VanDerWaalsContact C-N 3.32Å; M294-V296 PolarHBondContact O-N 2.91Å; V296-S300 VanDerWaalsContact O-CB 3.31Å; V296-S300 WeakPolarHBondContact O-CB 3.41Å; V296-S300 PolarHBondContact O-N 2.94Å; V296-S300 PolarHBondContact O-OG 3.39Å; V296-R391 HydrophobicContact CG1-CG 3.9Å; V296-I394 HydrophobicContact CB-CG2 4.32Å; V296-I394 HydrophobicContact CG1-CB 4.35Å; V296-I394 HydrophobicContact CG1-CG2 3.96Å; V296-I394 HydrophobicContact CG2-CG2 4.38Å; V296-V398 HydrophobicContact CG2-CB 4.47Å; V296-V398 HydrophobicContact CG2-CG2 4.24Å |
| 297 | L | 91.1 | Very high | 90.4 | Very high | 4 Ų | 4 | 26.4 Ų | 26.4 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.2 | -45.8 | 175.7 | -72.2 | 170.4 | 0 | 0 | 0 | 111.5 | Q293 M294 L295 A299 S300 V301 L331 L341 L383 | Q293-L297 WeakPolarHBondContact O-CG 3.39Å; Q293-L297 PolarHBondContact O-N 2.89Å; M294-L297 HydrophobicContact CE-CD1 4.39Å; M294-L297 WeakPolarHBondContact O-CB 3.25Å; M294-L297 PolarHBondContact O-N 2.96Å; L295-L297 VanDerWaalsContact C-N 3.34Å; L297-A299 PolarHBondContact O-N 3.49Å; L297-S300 WeakPolarHBondContact O-CB 3.37Å; L297-S300 PolarHBondContact O-N 3.09Å; L297-S300 VanDerWaalsContact O-N 3.14Å; L297-V301 WeakPolarHBondContact O-CG2 3.49Å; L297-V301 PolarHBondContact O-N 3.08Å; L297-L331 HydrophobicContact CB-CD1 4.06Å; L297-L341 HydrophobicContact CD1-CD1 3.73Å; L297-L383 HydrophobicContact CD2-CB 4.2Å |
| 298 | E | 91.8 | Very high | 90 | Very high | 12 Ų | 12 | 26 Ų | 26 | 6% | 0.056 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.2 | -50.8 | 177.2 | -177.9 | 178.6 | 157.1 | 0 | 0 | 111.3 | M294 L295 S300 V301 L302 K324 I327 T328 V424 | M294-E298 WeakPolarHBondContact O-CB 3.24Å; M294-E298 PolarHBondContact O-N 3.39Å; L295-E298 PolarHBondContact O-N 3.2Å; E298-S300 VanDerWaalsContact C-N 3.27Å; E298-S300 PolarHBondContact O-N 3.07Å; E298-V301 PolarHBondContact O-N 3.4Å; E298-L302 HydrophobicContact CG-CD1 4.22Å; E298-L302 WeakPolarHBondContact O-CG 3.25Å; E298-L302 PolarHBondContact O-N 3.4Å; E298-K324 WeakPolarHBondContact OE1-CE 3.33Å; E298-K324 WeakPolarHBondContact OE1-CG 3.38Å; E298-I327 HydrophobicContact CB-CG2 3.95Å; E298-I327 HydrophobicContact CG-CB 4.33Å; E298-I327 HydrophobicContact CG-CD1 4.44Å; E298-I327 HydrophobicContact CG-CG2 3.79Å; E298-T328 PolarHBondContact OE2-OG1 3.26Å; E298-V424 HydrophobicContact CG-CG1 4.31Å |
| 299 | A | 91.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.8 | -34.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L295 L297 L303 I394 P420 L421 V424 | L295-A299 VanDerWaalsContact O-CB 3.29Å; L295-A299 WeakPolarHBondContact O-CB 3.19Å; L295-A299 PolarHBondContact O-N 3.38Å; L297-A299 PolarHBondContact O-N 3.49Å; A299-L303 WeakPolarHBondContact O-CB 3.42Å; A299-L303 PolarHBondContact O-N 3.34Å; A299-I394 HydrophobicContact CB-CG2 3.83Å; A299-P420 HydrophobicContact CB-CG 4.23Å; A299-P420 WeakPolarHBondContact O-CG 3.43Å; A299-L421 HydrophobicContact CB-CD2 3.96Å; A299-V424 HydrophobicContact CB-CG2 4.17Å |
| 300 | S | 92.4 | Very high | 88 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.8 | -43.7 | 175.6 | -60.8 | 0 | 0 | 0 | 0 | 111.6 | V296 L297 E298 L303 L304 | V296-S300 VanDerWaalsContact O-CB 3.31Å; V296-S300 WeakPolarHBondContact O-CB 3.41Å; V296-S300 PolarHBondContact O-N 2.94Å; V296-S300 PolarHBondContact O-OG 3.39Å; L297-S300 WeakPolarHBondContact O-CB 3.37Å; L297-S300 PolarHBondContact O-N 3.09Å; L297-S300 VanDerWaalsContact O-N 3.14Å; E298-S300 VanDerWaalsContact C-N 3.27Å; E298-S300 PolarHBondContact O-N 3.07Å; S300-L303 PolarHBondContact O-N 2.84Å; S300-L304 WeakPolarHBondContact O-CG 3.33Å; S300-L304 PolarHBondContact O-N 3.06Å |
| 301 | V | 91.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.9 | -46.3 | 176.2 | 176.2 | 0 | 0 | 0 | 0 | 110.2 | L297 E298 L303 L304 T305 I327 L348 V352 I380 L383 | L297-V301 WeakPolarHBondContact O-CG2 3.49Å; L297-V301 PolarHBondContact O-N 3.08Å; E298-V301 PolarHBondContact O-N 3.4Å; V301-L303 VanDerWaalsContact C-N 3.28Å; V301-L303 PolarHBondContact O-N 2.83Å; V301-L304 PolarHBondContact O-N 3.33Å; V301-T305 WeakPolarHBondContact O-CB 3.48Å; V301-T305 PolarHBondContact O-N 3.46Å; V301-T305 PolarHBondContact O-OG1 3.18Å; V301-I327 HydrophobicContact CB-CD1 4.14Å; V301-I327 HydrophobicContact CG1-CD1 3.75Å; V301-I327 HydrophobicContact CG1-CG1 4.02Å; V301-L348 HydrophobicContact CG1-CD2 4.21Å; V301-L348 HydrophobicContact CG2-CD2 3.74Å; V301-V352 HydrophobicContact CG1-CG2 4Å; V301-I380 HydrophobicContact CG1-CD1 4.45Å; V301-L383 HydrophobicContact CG2-CD1 3.46Å; V301-L383 VanDerWaalsContact CG2-CD1 3.46Å |
| 302 | L | 90.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.8 | -40.9 | 176.1 | -69.8 | 173.7 | 0 | 0 | 0 | 112.1 | E298 A306 V320 L323 K324 I327 L423 V424 | E298-L302 HydrophobicContact CG-CD1 4.22Å; E298-L302 WeakPolarHBondContact O-CG 3.25Å; E298-L302 PolarHBondContact O-N 3.4Å; L302-A306 VanDerWaalsContact O-CB 3.22Å; L302-A306 WeakPolarHBondContact O-CB 3.35Å; L302-A306 PolarHBondContact O-N 2.82Å; L302-V320 HydrophobicContact CD2-CG1 4.45Å; L302-L323 HydrophobicContact CD2-CD2 3.67Å; L302-L323 HydrophobicContact CD2-CG 3.98Å; L302-K324 HydrophobicContact CD1-CD 4.47Å; L302-K324 HydrophobicContact CD1-CG 4.01Å; L302-K324 HydrophobicContact CD2-CG 4.24Å; L302-I327 HydrophobicContact CD2-CD1 3.78Å; L302-I327 HydrophobicContact CG-CD1 4.01Å; L302-L423 HydrophobicContact CB-CD1 4.35Å; L302-L423 HydrophobicContact CD1-CB 4.14Å; L302-L423 HydrophobicContact CD1-CD1 4.24Å; L302-V424 HydrophobicContact CD1-CG1 4Å |
| 303 | L | 90.3 | Very high | 84 | Confident | 28 Ų | 28 | 33.3 Ų | 33.3 | 15% | 0.147 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.7 | -50.7 | 175 | -177.1 | 53.5 | 0 | 0 | 0 | 111.4 | A299 S300 V301 T305 A306 T307 V390 I394 F419 P420 | A299-L303 WeakPolarHBondContact O-CB 3.42Å; A299-L303 PolarHBondContact O-N 3.34Å; S300-L303 PolarHBondContact O-N 2.84Å; V301-L303 VanDerWaalsContact C-N 3.28Å; V301-L303 PolarHBondContact O-N 2.83Å; L303-T305 PolarHBondContact O-N 3.22Å; L303-A306 PolarHBondContact O-N 3.36Å; L303-T307 HydrophobicContact CD1-CG2 4.04Å; L303-T307 HydrophobicContact CG-CG2 4.37Å; L303-T307 WeakPolarHBondContact O-CG2 3.49Å; L303-T307 PolarHBondContact O-N 3.26Å; L303-T307 PolarHBondContact O-OG1 3.34Å; L303-V390 HydrophobicContact CD2-CG1 4.06Å; L303-I394 HydrophobicContact CD2-CD1 3.96Å; L303-I394 HydrophobicContact CD2-CG1 4.43Å; L303-F419 HydrophobicContact CD1-CD1 4.04Å; L303-F419 HydrophobicContact CD1-CE1 3.75Å; L303-P420 HydrophobicContact CB-CB 4.28Å; L303-P420 HydrophobicContact CB-CG 3.93Å |
| 304 | L | 90.2 | Very high | 83.3 | Confident | 7 Ų | 7 | 31.3 Ų | 31.3 | 4% | 0.037 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.8 | -48 | 179.3 | -71.4 | 176.8 | 0 | 0 | 0 | 110.9 | S300 V301 A306 T307 H308 L376 Q379 I380 L383 V390 | S300-L304 WeakPolarHBondContact O-CG 3.33Å; S300-L304 PolarHBondContact O-N 3.06Å; V301-L304 PolarHBondContact O-N 3.33Å; L304-A306 VanDerWaalsContact C-N 3.33Å; L304-A306 PolarHBondContact O-N 3.02Å; L304-T307 WeakPolarHBondContact CA-OG1 3.29Å; L304-T307 PolarHBondContact O-N 3Å; L304-T307 PolarHBondContact O-OG1 3.48Å; L304-H308 PolarHBondContact O-CD2 3.47Å; L304-H308 PolarHBondContact O-N 3.02Å; L304-H308 VanDerWaalsContact O-N 3.14Å; L304-L376 HydrophobicContact CB-CD1 3.95Å; L304-Q379 HydrophobicContact CD1-CB 3.92Å; L304-Q379 HydrophobicContact CD2-CB 4.04Å; L304-I380 HydrophobicContact CD1-CG1 4.17Å; L304-L383 HydrophobicContact CD1-CD1 4.03Å; L304-L383 HydrophobicContact CD1-CD2 4.08Å; L304-L383 HydrophobicContact CD1-CG 4.19Å; L304-V390 HydrophobicContact CD2-CG2 4.08Å; L304-V390 HydrophobicContact CG-CG1 4.46Å |
| 305 | T | 87.8 | Confident | 82.4 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.8 | -45.8 | 176.3 | -55.9 | 0 | 0 | 0 | 0 | 110.9 | V301 L303 T307 H308 C309 F319 L323 V352 V356 | V301-T305 WeakPolarHBondContact O-CB 3.48Å; V301-T305 PolarHBondContact O-N 3.46Å; V301-T305 PolarHBondContact O-OG1 3.18Å; L303-T305 PolarHBondContact O-N 3.22Å; T305-T307 VanDerWaalsContact C-N 3.34Å; T305-T307 PolarHBondContact O-N 3.2Å; T305-H308 PolarHBondContact O-N 2.93Å; T305-C309 WeakPolarHBondContact O-CB 3.41Å; T305-C309 PolarHBondContact O-N 2.93Å; T305-C309 PolarHBondContact O-SG 3.45Å; T305-F319 HydrophobicContact CG2-CE1 4.49Å; T305-F319 HydrophobicContact CG2-CZ 4.46Å; T305-L323 HydrophobicContact CG2-CD2 3.8Å; T305-V352 HydrophobicContact CG2-CG1 4.05Å; T305-V352 VanDerWaalsContact OG1-CG1 3.28Å; T305-V352 WeakPolarHBondContact OG1-CG1 3.3Å; T305-V356 HydrophobicContact CG2-CG2 3.84Å |
| 306 | A | 86.6 | Confident | 81.7 | Confident | 18 Ų | 18 | 34.4 Ų | 34.4 | 15% | 0.149 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.6 | -34.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L302 L303 L304 H308 C309 F314 F419 | L302-A306 VanDerWaalsContact O-CB 3.22Å; L302-A306 WeakPolarHBondContact O-CB 3.35Å; L302-A306 PolarHBondContact O-N 2.82Å; L303-A306 PolarHBondContact O-N 3.36Å; L304-A306 VanDerWaalsContact C-N 3.33Å; L304-A306 PolarHBondContact O-N 3.02Å; A306-H308 VanDerWaalsContact C-N 3.35Å; A306-C309 VanDerWaalsContact O-O 3.05Å; A306-F314 HydrophobicContact CB-CD1 4.34Å; A306-F314 HydrophobicContact CB-CD2 3.8Å; A306-F314 HydrophobicContact CB-CE1 4.25Å; A306-F314 HydrophobicContact CB-CE2 3.7Å; A306-F314 HydrophobicContact CB-CG 4.12Å; A306-F314 HydrophobicContact CB-CZ 3.92Å; A306-F419 HydrophobicContact CB-CE1 3.86Å; A306-F419 HydrophobicContact CB-CZ 3.48Å; A306-F419 VanDerWaalsContact CB-CZ 3.48Å |
| 307 | T | 86.4 | Confident | 81 | Confident | 89 Ų | 89 | 43.4 Ų | 43.4 | 55% | 0.546 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -69 | -32.9 | 177.9 | 58.8 | 0 | 0 | 0 | 0 | 113 | L303 L304 T305 | L303-T307 HydrophobicContact CD1-CG2 4.04Å; L303-T307 HydrophobicContact CG-CG2 4.37Å; L303-T307 WeakPolarHBondContact O-CG2 3.49Å; L303-T307 PolarHBondContact O-N 3.26Å; L303-T307 PolarHBondContact O-OG1 3.34Å; L304-T307 WeakPolarHBondContact CA-OG1 3.29Å; L304-T307 PolarHBondContact O-N 3Å; L304-T307 PolarHBondContact O-OG1 3.48Å; T305-T307 VanDerWaalsContact C-N 3.34Å; T305-T307 PolarHBondContact O-N 3.2Å |
| 308 | H | 82.6 | Confident | 80.5 | Confident | 36 Ų | 36 | 45.7 Ų | 45.7 | 17% | 0.167 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -93.6 | -22.9 | -179.6 | -70.6 | -63.5 | 0 | 0 | 0 | 113.3 | L304 T305 A306 F368 L375 Q379 | L304-H308 PolarHBondContact O-CD2 3.47Å; L304-H308 PolarHBondContact O-N 3.02Å; L304-H308 VanDerWaalsContact O-N 3.14Å; T305-H308 PolarHBondContact O-N 2.93Å; A306-H308 VanDerWaalsContact C-N 3.35Å; H308-F368 HydrophobicContact CB-CZ 4.39Å; H308-L375 VanDerWaalsContact CE1-CD2 3.47Å; H308-L375 WeakPolarHBondContact CE1-CD2 3.28Å; H308-Q379 PolarHBondContact NE2-OE1 2.91Å |
| 309 | C | 76.1 | Confident | 80.2 | Confident | 7 Ų | 7 | 46 Ų | 46 | 5% | 0.047 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -74.7 | 123.3 | 170.1 | -74.4 | 0 | 0 | 0 | 0 | 109.6 | T305 A306 G311 T313 F314 | T305-C309 WeakPolarHBondContact O-CB 3.41Å; T305-C309 PolarHBondContact O-N 2.93Å; T305-C309 PolarHBondContact O-SG 3.45Å; A306-C309 VanDerWaalsContact O-O 3.05Å; C309-G311 PolarHBondContact O-N 3.27Å; C309-G311 VanDerWaalsContact O-N 3.16Å; C309-T313 VanDerWaalsContact CB-OG1 3.3Å; C309-T313 WeakPolarHBondContact CB-OG1 3.29Å; C309-F314 HydrophobicContact CB-CB 4.44Å |
| 310 | R | 64.9 | Low | 79.9 | Confident | 198 Ų | 198 | 47.2 Ų | 47.2 | 75% | 0.747 | 27% | 0.271 | S | S | * | . | trans | -58.1 | 124.3 | 166.6 | -63.1 | -176.4 | 178.9 | -152.7 | 0 | 106.9 | V312 T313 | R310-V312 PolarHBondContact O-N 2.98Å; R310-T313 PolarHBondContact O-N 3.44Å; R310-T313 PolarHBondContact O-OG1 3.31Å | ||
| 311 | G | 62.2 | Low | 79.6 | Confident | 57 Ų | 57 | 48.9 Ų | 48.9 | 59% | 0.588 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -47.6 | -17.8 | -164 | 0 | 0 | 0 | 0 | 0 | 117.7 | C309 S315 | C309-G311 PolarHBondContact O-N 3.27Å; C309-G311 VanDerWaalsContact O-N 3.16Å; G311-S315 WeakPolarHBondContact O-CB 3.45Å; G311-S315 PolarHBondContact O-N 2.96Å; G311-S315 PolarHBondContact O-OG 3.01Å |
| 312 | V | 59.3 | Low | 79.4 | Confident | 99 Ų | 99 | 54.6 Ų | 54.6 | 60% | 0.6 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.5 | -41.4 | 171.5 | -170 | 0 | 0 | 0 | 0 | 112.9 | R310 S315 | R310-V312 PolarHBondContact O-N 2.98Å; V312-S315 PolarHBondContact O-N 3.5Å; V312-S315 PolarHBondContact O-OG 3.37Å |
| 313 | T | 66.9 | Low | 79.4 | Confident | 7 Ų | 7 | 54.6 Ų | 54.6 | 4% | 0.043 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -72.5 | -36.7 | -179.9 | 52 | 0 | 0 | 0 | 0 | 112.7 | C309 R310 S315 L316 L360 | C309-T313 VanDerWaalsContact CB-OG1 3.3Å; C309-T313 WeakPolarHBondContact CB-OG1 3.29Å; R310-T313 PolarHBondContact O-N 3.44Å; R310-T313 PolarHBondContact O-OG1 3.31Å; T313-S315 PolarHBondContact O-N 2.95Å; T313-L316 WeakPolarHBondContact O-CB 3.28Å; T313-L316 VanDerWaalsContact O-CG 3.31Å; T313-L316 WeakPolarHBondContact O-CG 3.34Å; T313-L316 PolarHBondContact O-N 3.36Å; T313-L360 HydrophobicContact CG2-CD2 3.34Å; T313-L360 HydrophobicContact CG2-CG 3.79Å |
| 314 | F | 73.8 | Confident | 79.4 | Confident | 26 Ų | 26 | 54.7 Ų | 54.7 | 11% | 0.114 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70 | -22.9 | 176.8 | -156.8 | -93.7 | 0 | 0 | 0 | 112.1 | A306 C309 L316 F319 V320 F419 L423 | A306-F314 HydrophobicContact CB-CD1 4.34Å; A306-F314 HydrophobicContact CB-CD2 3.8Å; A306-F314 HydrophobicContact CB-CE1 4.25Å; A306-F314 HydrophobicContact CB-CE2 3.7Å; A306-F314 HydrophobicContact CB-CG 4.12Å; A306-F314 HydrophobicContact CB-CZ 3.92Å; C309-F314 HydrophobicContact CB-CB 4.44Å; F314-L316 VanDerWaalsContact C-N 3.29Å; F314-F319 HydrophobicContact CD2-CD1 4.43Å; F314-F319 HydrophobicContact CD2-CE1 4.09Å; F314-V320 HydrophobicContact CD1-CG2 4.02Å; F314-V320 HydrophobicContact CD2-CG2 4.46Å; F314-V320 HydrophobicContact CE1-CG2 3.64Å; F314-V320 HydrophobicContact CE2-CG2 4.12Å; F314-V320 HydrophobicContact CG-CG2 4.42Å; F314-V320 HydrophobicContact CZ-CG1 4.43Å; F314-V320 HydrophobicContact CZ-CG2 3.71Å; F314-F419 AromaticContact CE1-CE2 3.99Å; F314-F419 HydrophobicContact CE1-CE2 3.99Å; F314-F419 HydrophobicContact CE1-CZ 4.06Å; F314-F419 HydrophobicContact CZ-CZ 4.36Å; F314-L423 HydrophobicContact CE1-CD1 3.66Å; F314-L423 HydrophobicContact CZ-CD1 3.47Å; F314-L423 VanDerWaalsContact CZ-CD1 3.47Å |
| 315 | S | 70.8 | Confident | 79.4 | Confident | 90 Ų | 90 | 61 Ų | 61 | 63% | 0.629 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -4.7 | 174.8 | 74.8 | 0 | 0 | 0 | 0 | 114.4 | G311 V312 T313 Q317 | G311-S315 WeakPolarHBondContact O-CB 3.45Å; G311-S315 PolarHBondContact O-N 2.96Å; G311-S315 PolarHBondContact O-OG 3.01Å; V312-S315 PolarHBondContact O-N 3.5Å; V312-S315 PolarHBondContact O-OG 3.37Å; T313-S315 PolarHBondContact O-N 2.95Å; S315-Q317 PolarHBondContact O-N 3.4Å |
| 316 | L | 76.3 | Confident | 79.6 | Confident | 33 Ų | 33 | 62.5 Ų | 62.5 | 17% | 0.173 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -65 | 130.8 | 178.9 | -67.6 | 172.3 | 0 | 0 | 0 | 111.4 | T313 F314 G318 F319 A359 Q363 | T313-L316 WeakPolarHBondContact O-CB 3.28Å; T313-L316 VanDerWaalsContact O-CG 3.31Å; T313-L316 WeakPolarHBondContact O-CG 3.34Å; T313-L316 PolarHBondContact O-N 3.36Å; F314-L316 VanDerWaalsContact C-N 3.29Å; L316-G318 PolarHBondContact O-N 2.93Å; L316-F319 HydrophobicContact CB-CB 3.98Å; L316-F319 WeakPolarHBondContact O-CB 3.38Å; L316-F319 PolarHBondContact O-N 3Å; L316-F319 VanDerWaalsContact O-N 3.16Å; L316-A359 HydrophobicContact CD1-CB 3.94Å; L316-Q363 HydrophobicContact CD1-CG 3.81Å; L316-Q363 HydrophobicContact CD2-CG 3.74Å; L316-Q363 HydrophobicContact CG-CG 4.34Å |
| 317 | Q | 76.9 | Confident | 79.8 | Confident | 200 Ų | 200 | 61.7 Ų | 61.7 | 94% | 0.935 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 126.7 | -180 | -170.1 | 176.2 | 0.9 | 0 | 0 | 110.4 | S315 F319 | S315-Q317 PolarHBondContact O-N 3.4Å; Q317-F319 VanDerWaalsContact C-N 3.26Å; Q317-F319 PolarHBondContact O-N 2.66Å |
| 318 | G | 81.1 | Confident | 80 | Confident | 52 Ų | 52 | 60.8 Ų | 60.8 | 54% | 0.536 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81 | -11.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | L316 G321 K322 | L316-G318 PolarHBondContact O-N 2.93Å; G318-G321 PolarHBondContact O-N 3.16Å; G318-K322 PolarHBondContact O-N 2.92Å |
| 319 | F | 85.4 | Confident | 80.3 | Confident | 18 Ų | 18 | 62.1 Ų | 62.1 | 8% | 0.079 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.5 | -52.7 | 178.5 | 174.2 | -102.4 | 0 | 0 | 0 | 111.6 | T305 F314 L316 Q317 G321 K322 L323 Q355 V356 A359 | T305-F319 HydrophobicContact CG2-CE1 4.49Å; T305-F319 HydrophobicContact CG2-CZ 4.46Å; F314-F319 HydrophobicContact CD2-CD1 4.43Å; F314-F319 HydrophobicContact CD2-CE1 4.09Å; L316-F319 HydrophobicContact CB-CB 3.98Å; L316-F319 WeakPolarHBondContact O-CB 3.38Å; L316-F319 PolarHBondContact O-N 3Å; L316-F319 VanDerWaalsContact O-N 3.16Å; Q317-F319 VanDerWaalsContact C-N 3.26Å; Q317-F319 PolarHBondContact O-N 2.66Å; F319-G321 VanDerWaalsContact C-N 3.27Å; F319-G321 PolarHBondContact O-N 2.9Å; F319-K322 PolarHBondContact O-N 3.18Å; F319-L323 HydrophobicContact CE1-CD2 3.9Å; F319-L323 HydrophobicContact CZ-CD2 4.14Å; F319-L323 WeakPolarHBondContact O-CB 3.3Å; F319-L323 PolarHBondContact O-N 2.91Å; F319-Q355 HydrophobicContact CE2-CB 4.15Å; F319-V356 HydrophobicContact CZ-CG2 4.05Å; F319-A359 HydrophobicContact CD2-CB 3.86Å; F319-A359 HydrophobicContact CE2-CB 3.85Å |
| 320 | V | 85.2 | Confident | 81 | Confident | 26 Ų | 26 | 64 Ų | 64 | 16% | 0.158 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.9 | -38.7 | 179.6 | -179.4 | 0 | 0 | 0 | 0 | 111.4 | L302 F314 L323 K324 L423 | L302-V320 HydrophobicContact CD2-CG1 4.45Å; F314-V320 HydrophobicContact CD1-CG2 4.02Å; F314-V320 HydrophobicContact CD2-CG2 4.46Å; F314-V320 HydrophobicContact CE1-CG2 3.64Å; F314-V320 HydrophobicContact CE2-CG2 4.12Å; F314-V320 HydrophobicContact CG-CG2 4.42Å; F314-V320 HydrophobicContact CZ-CG1 4.43Å; F314-V320 HydrophobicContact CZ-CG2 3.71Å; V320-L323 PolarHBondContact O-N 3.44Å; V320-K324 HydrophobicContact CG1-CD 4.37Å; V320-K324 HydrophobicContact CG1-CG 4.4Å; V320-K324 WeakPolarHBondContact O-CB 3.39Å; V320-K324 VanDerWaalsContact O-CG 3.29Å; V320-K324 WeakPolarHBondContact O-CG 3.41Å; V320-K324 PolarHBondContact O-N 3.4Å; V320-L423 HydrophobicContact CG1-CB 4.5Å; V320-L423 HydrophobicContact CG1-CD1 4.16Å; V320-L423 HydrophobicContact CG1-CD2 4.22Å |
| 321 | G | 86.9 | Confident | 82.1 | Confident | 36 Ų | 36 | 54.8 Ų | 54.8 | 37% | 0.371 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.6 | -45.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | G318 F319 L323 K324 Q325 | G318-G321 PolarHBondContact O-N 3.16Å; F319-G321 VanDerWaalsContact C-N 3.27Å; F319-G321 PolarHBondContact O-N 2.9Å; G321-L323 VanDerWaalsContact C-N 3.34Å; G321-K324 PolarHBondContact O-N 2.95Å; G321-Q325 WeakPolarHBondContact O-CG 3.16Å; G321-Q325 PolarHBondContact O-N 2.96Å |
| 322 | K | 88.2 | Confident | 83.3 | Confident | 120 Ų | 120 | 59.7 Ų | 59.7 | 52% | 0.522 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.1 | -38.7 | 177.7 | -154.3 | -177.9 | -173.9 | -170.9 | 0 | 111.8 | G318 F319 Q325 T326 | G318-K322 PolarHBondContact O-N 2.92Å; F319-K322 PolarHBondContact O-N 3.18Å; K322-Q325 PolarHBondContact O-N 3.36Å; K322-T326 PolarHBondContact O-N 2.87Å; K322-T326 VanDerWaalsContact O-N 3.07Å; K322-T326 PolarHBondContact O-OG1 3.41Å |
| 323 | L | 89.1 | Confident | 84.3 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.9 | -47.7 | 175.5 | -178.1 | 60.7 | 0 | 0 | 0 | 111.1 | L302 T305 F319 V320 G321 Q325 T326 I327 V352 | L302-L323 HydrophobicContact CD2-CD2 3.67Å; L302-L323 HydrophobicContact CD2-CG 3.98Å; T305-L323 HydrophobicContact CG2-CD2 3.8Å; F319-L323 HydrophobicContact CE1-CD2 3.9Å; F319-L323 HydrophobicContact CZ-CD2 4.14Å; F319-L323 WeakPolarHBondContact O-CB 3.3Å; F319-L323 PolarHBondContact O-N 2.91Å; V320-L323 PolarHBondContact O-N 3.44Å; G321-L323 VanDerWaalsContact C-N 3.34Å; L323-Q325 PolarHBondContact O-N 3.32Å; L323-T326 PolarHBondContact O-N 3.31Å; L323-I327 HydrophobicContact CD1-CD1 4.1Å; L323-I327 HydrophobicContact CD1-CG1 4.32Å; L323-I327 HydrophobicContact CG-CD1 3.78Å; L323-I327 HydrophobicContact CG-CG1 4.45Å; L323-I327 VanDerWaalsContact O-CG1 3.24Å; L323-I327 WeakPolarHBondContact O-CG1 3.27Å; L323-I327 PolarHBondContact O-N 2.68Å; L323-V352 HydrophobicContact CD1-CG1 4.4Å; L323-V352 HydrophobicContact CD1-CG2 3.94Å |
| 324 | K | 90.7 | Very high | 85 | Confident | 29 Ų | 29 | 56.8 Ų | 56.8 | 13% | 0.126 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -54.9 | -52.6 | 173.6 | -76.4 | -176.8 | 67.2 | -179.3 | 0 | 111.5 | E298 L302 V320 G321 T326 I327 T328 L423 E427 | E298-K324 WeakPolarHBondContact OE1-CE 3.33Å; E298-K324 WeakPolarHBondContact OE1-CG 3.38Å; L302-K324 HydrophobicContact CD1-CD 4.47Å; L302-K324 HydrophobicContact CD1-CG 4.01Å; L302-K324 HydrophobicContact CD2-CG 4.24Å; V320-K324 HydrophobicContact CG1-CD 4.37Å; V320-K324 HydrophobicContact CG1-CG 4.4Å; V320-K324 WeakPolarHBondContact O-CB 3.39Å; V320-K324 VanDerWaalsContact O-CG 3.29Å; V320-K324 WeakPolarHBondContact O-CG 3.41Å; V320-K324 PolarHBondContact O-N 3.4Å; G321-K324 PolarHBondContact O-N 2.95Å; K324-T326 PolarHBondContact O-N 3.49Å; K324-I327 PolarHBondContact O-N 3.48Å; K324-I327 VanDerWaalsContact O-N 3.08Å; K324-T328 PolarHBondContact O-N 3.38Å; K324-T328 PolarHBondContact O-OG1 2.98Å; K324-L423 PolarHBondContact NZ-O 2.98Å; K324-E427 IonicContact NZ-OE1 2.87Å; K324-E427 PolarHBondContact NZ-OE1 2.86Å; K324-E427 IonicContact NZ-OE2 2.77Å; K324-E427 PolarHBondContact NZ-OE2 3.44Å |
| 325 | Q | 90.6 | Very high | 84.9 | Confident | 141 Ų | 141 | 59 Ų | 59 | 66% | 0.659 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -54.5 | -39.8 | 178.5 | -73.5 | 173.6 | -4.9 | 0 | 0 | 112.7 | G321 K322 L323 A329 | G321-Q325 WeakPolarHBondContact O-CG 3.16Å; G321-Q325 PolarHBondContact O-N 2.96Å; K322-Q325 PolarHBondContact O-N 3.36Å; L323-Q325 PolarHBondContact O-N 3.32Å; Q325-A329 VanDerWaalsContact O-CB 3.24Å; Q325-A329 WeakPolarHBondContact O-CB 3.35Å; Q325-A329 PolarHBondContact O-N 2.92Å |
| 326 | T | 90.8 | Very high | 85.1 | Confident | 31 Ų | 31 | 59.2 Ų | 59.2 | 19% | 0.19 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -71.7 | -42.5 | 178.8 | -57.3 | 0 | 0 | 0 | 0 | 112 | K322 L323 K324 L330 A351 Q355 | K322-T326 PolarHBondContact O-N 2.87Å; K322-T326 VanDerWaalsContact O-N 3.07Å; K322-T326 PolarHBondContact O-OG1 3.41Å; L323-T326 PolarHBondContact O-N 3.31Å; K324-T326 PolarHBondContact O-N 3.49Å; T326-L330 HydrophobicContact CG2-CD1 3.91Å; T326-L330 HydrophobicContact CG2-CG 4.5Å; T326-L330 WeakPolarHBondContact O-CB 3.42Å; T326-L330 WeakPolarHBondContact O-CG 3.28Å; T326-L330 PolarHBondContact O-N 2.94Å; T326-A351 HydrophobicContact CG2-CB 3.95Å; T326-Q355 PolarHBondContact OG1-NE2 3.25Å |
| 327 | I | 91.2 | Very high | 85.2 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.9 | -51.4 | 175.3 | -65 | 160.4 | 0 | 0 | 0 | 109.8 | E298 V301 L302 L323 K324 A329 L330 L331 L348 | E298-I327 HydrophobicContact CB-CG2 3.95Å; E298-I327 HydrophobicContact CG-CB 4.33Å; E298-I327 HydrophobicContact CG-CD1 4.44Å; E298-I327 HydrophobicContact CG-CG2 3.79Å; V301-I327 HydrophobicContact CB-CD1 4.14Å; V301-I327 HydrophobicContact CG1-CD1 3.75Å; V301-I327 HydrophobicContact CG1-CG1 4.02Å; L302-I327 HydrophobicContact CD2-CD1 3.78Å; L302-I327 HydrophobicContact CG-CD1 4.01Å; L323-I327 HydrophobicContact CD1-CD1 4.1Å; L323-I327 HydrophobicContact CD1-CG1 4.32Å; L323-I327 HydrophobicContact CG-CD1 3.78Å; L323-I327 HydrophobicContact CG-CG1 4.45Å; L323-I327 VanDerWaalsContact O-CG1 3.24Å; L323-I327 WeakPolarHBondContact O-CG1 3.27Å; L323-I327 PolarHBondContact O-N 2.68Å; K324-I327 PolarHBondContact O-N 3.48Å; K324-I327 VanDerWaalsContact O-N 3.08Å; I327-A329 PolarHBondContact O-N 3.33Å; I327-L330 PolarHBondContact O-N 2.88Å; I327-L331 HydrophobicContact CG2-CD1 3.48Å; I327-L331 VanDerWaalsContact CG2-CD1 3.48Å; I327-L331 HydrophobicContact CG2-CG 4.1Å; I327-L331 WeakPolarHBondContact O-CB 3.43Å; I327-L331 VanDerWaalsContact O-CG 3.24Å; I327-L331 WeakPolarHBondContact O-CG 3.35Å; I327-L331 PolarHBondContact O-N 3.32Å; I327-L348 HydrophobicContact CB-CD1 4.22Å; I327-L348 HydrophobicContact CG1-CD1 3.84Å; I327-L348 HydrophobicContact CG2-CD2 4.23Å |
| 328 | T | 90.2 | Very high | 85.6 | Confident | 71 Ų | 71 | 62 Ų | 62 | 44% | 0.436 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.8 | -46.6 | -179.5 | -49.3 | 0 | 0 | 0 | 0 | 111.2 | E298 K324 L331 E332 | E298-T328 PolarHBondContact OE2-OG1 3.26Å; K324-T328 PolarHBondContact O-N 3.38Å; K324-T328 PolarHBondContact O-OG1 2.98Å; T328-L331 PolarHBondContact O-N 3.02Å; T328-E332 PolarHBondContact O-N 2.91Å |
| 329 | A | 90.8 | Very high | 85.8 | Confident | 63 Ų | 63 | 62.4 Ų | 62.4 | 52% | 0.521 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.9 | -41.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q325 I327 | Q325-A329 VanDerWaalsContact O-CB 3.24Å; Q325-A329 WeakPolarHBondContact O-CB 3.35Å; Q325-A329 PolarHBondContact O-N 2.92Å; I327-A329 PolarHBondContact O-N 3.33Å |
| 330 | L | 90.5 | Very high | 85.8 | Confident | 48 Ų | 48 | 63.6 Ų | 63.6 | 25% | 0.251 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -75.7 | -26.8 | -179.9 | -70.2 | 175.8 | 0 | 0 | 0 | 112.9 | T326 I327 A344 E347 L348 A351 | T326-L330 HydrophobicContact CG2-CD1 3.91Å; T326-L330 HydrophobicContact CG2-CG 4.5Å; T326-L330 WeakPolarHBondContact O-CB 3.42Å; T326-L330 WeakPolarHBondContact O-CG 3.28Å; T326-L330 PolarHBondContact O-N 2.94Å; I327-L330 PolarHBondContact O-N 2.88Å; L330-A344 WeakPolarHBondContact O-CB 3.42Å; L330-E347 HydrophobicContact CD2-CB 4.45Å; L330-L348 HydrophobicContact CB-CD1 4.31Å; L330-L348 HydrophobicContact CD1-CB 4.33Å; L330-L348 HydrophobicContact CD1-CD1 3.79Å; L330-A351 HydrophobicContact CD1-CB 3.76Å |
| 331 | L | 87.8 | Confident | 85.9 | Confident | 4 Ų | 4 | 63.4 Ų | 63.4 | 2% | 0.021 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -87.2 | -12 | 178 | -72 | -172.7 | 0 | 0 | 0 | 112.8 | M294 L297 I327 T328 G333 S334 L341 A344 L345 L348 | M294-L331 HydrophobicContact CE-CB 3.4Å; M294-L331 VanDerWaalsContact CE-CB 3.4Å; M294-L331 HydrophobicContact CE-CD1 4.12Å; M294-L331 HydrophobicContact CE-CD2 4.48Å; M294-L331 HydrophobicContact CE-CG 4.21Å; M294-L331 WeakPolarHBondContact CE-O 3.23Å; L297-L331 HydrophobicContact CB-CD1 4.06Å; I327-L331 HydrophobicContact CG2-CD1 3.48Å; I327-L331 VanDerWaalsContact CG2-CD1 3.48Å; I327-L331 HydrophobicContact CG2-CG 4.1Å; I327-L331 WeakPolarHBondContact O-CB 3.43Å; I327-L331 VanDerWaalsContact O-CG 3.24Å; I327-L331 WeakPolarHBondContact O-CG 3.35Å; I327-L331 PolarHBondContact O-N 3.32Å; T328-L331 PolarHBondContact O-N 3.02Å; L331-G333 PolarHBondContact O-N 2.96Å; L331-S334 WeakPolarHBondContact O-CB 3.22Å; L331-S334 PolarHBondContact O-N 3.21Å; L331-S334 PolarHBondContact O-OG 3.39Å; L331-L341 HydrophobicContact CD2-CD1 4.47Å; L331-A344 HydrophobicContact CD2-CB 4.15Å; L331-L345 HydrophobicContact CD2-CD2 4.31Å; L331-L348 HydrophobicContact CD1-CD2 4.43Å; L331-L348 HydrophobicContact CD2-CD2 4.2Å; L331-L348 HydrophobicContact CG-CD2 4.24Å |
| 332 | E | 86.7 | Confident | 86.1 | Confident | 160 Ų | 160 | 65 Ų | 65 | 75% | 0.748 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 131.5 | 178.6 | -165.7 | 169.6 | -170.9 | 0 | 0 | 111.3 | T328 S334 | T328-E332 PolarHBondContact O-N 2.91Å; E332-S334 PolarHBondContact O-N 2.76Å; E332-S334 VanDerWaalsContact O-N 3.12Å |
| 333 | G | 80 | Confident | 86.2 | Confident | 41 Ų | 41 | 65.7 Ų | 65.7 | 42% | 0.423 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | -7.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | L331 H335 T336 | L331-G333 PolarHBondContact O-N 2.96Å; G333-H335 VanDerWaalsContact C-N 3.27Å; G333-H335 PolarHBondContact O-N 3.24Å; G333-T336 PolarHBondContact O-OG1 3.33Å |
| 334 | S | 81.6 | Confident | 86.2 | Confident | 4 Ų | 4 | 65.9 Ų | 65.9 | 3% | 0.028 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -6.8 | -175.6 | 71.8 | 0 | 0 | 0 | 0 | 115.4 | L331 E332 T336 L341 | L331-S334 WeakPolarHBondContact O-CB 3.22Å; L331-S334 PolarHBondContact O-N 3.21Å; L331-S334 PolarHBondContact O-OG 3.39Å; E332-S334 PolarHBondContact O-N 2.76Å; E332-S334 VanDerWaalsContact O-N 3.12Å; S334-T336 VanDerWaalsContact C-N 3.31Å; S334-T336 PolarHBondContact O-N 2.96Å; S334-L341 PolarHBondContact O-N 3.22Å |
| 335 | H | 72.6 | Confident | 86.2 | Confident | 72 Ų | 72 | 64.6 Ų | 64.6 | 33% | 0.333 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -9.5 | -175.3 | 57.8 | -87.4 | 0 | 0 | 0 | 114.7 | M294 G333 | M294-H335 HydrophobicContact SD-CB 3.89Å; G333-H335 VanDerWaalsContact C-N 3.27Å; G333-H335 PolarHBondContact O-N 3.24Å |
| 336 | T | 73.6 | Confident | 86.3 | Confident | 95 Ų | 95 | 61.8 Ų | 61.8 | 58% | 0.583 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -84.6 | -34.4 | -171.4 | 55.2 | 0 | 0 | 0 | 0 | 113.7 | G333 S334 | G333-T336 PolarHBondContact O-OG1 3.33Å; S334-T336 VanDerWaalsContact C-N 3.31Å; S334-T336 PolarHBondContact O-N 2.96Å |
| 337 | R | 80.4 | Confident | 86.3 | Confident | 181 Ų | 181 | 65.1 Ų | 65.1 | 68% | 0.683 | 34% | 0.34 | S | S | * | . | trans | -139.7 | 141.5 | -179.6 | -59.2 | 178.8 | 171.8 | 177.7 | -1.5 | 110.6 | A339 D340 L341 | R337-A339 PolarHBondContact O-N 2.83Å; R337-D340 HydrophobicContact CB-CB 4.42Å; R337-D340 WeakPolarHBondContact CB-OD2 3.41Å; R337-D340 WeakPolarHBondContact CD-OD2 3.42Å; R337-D340 PolarHBondContact O-N 3.46Å; R337-L341 PolarHBondContact O-N 3.09Å; R337-L341 VanDerWaalsContact O-N 3.1Å | ||
| 338 | E | 83.3 | Confident | 86.4 | Confident | 110 Ų | 110 | 65.1 Ų | 65.1 | 51% | 0.514 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -57.5 | -36.5 | 177.4 | -169.2 | -169.9 | 137.5 | 0 | 0 | 112.6 | D340 L341 K342 W384 | E338-D340 VanDerWaalsContact C-N 3.31Å; E338-D340 PolarHBondContact O-N 3.15Å; E338-L341 PolarHBondContact O-N 3.24Å; E338-K342 WeakPolarHBondContact O-CG 3.39Å; E338-K342 PolarHBondContact O-N 3.47Å; E338-K342 VanDerWaalsContact OE1-CE 3.27Å; E338-K342 WeakPolarHBondContact OE1-CE 3.45Å; E338-K342 IonicContact OE1-NZ 3.58Å; E338-K342 PolarHBondContact OE1-NZ 3.47Å; E338-W384 HydrophobicContact CG-CE3 4.39Å; E338-W384 VanDerWaalsContact OE1-CZ3 3.22Å; E338-W384 WeakPolarHBondContact OE1-CZ3 3.43Å |
| 339 | A | 85.9 | Confident | 86.4 | Confident | 60 Ų | 60 | 64.7 Ų | 64.7 | 50% | 0.496 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.6 | -37 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R337 K342 R343 | R337-A339 PolarHBondContact O-N 2.83Å; A339-K342 PolarHBondContact O-N 2.94Å; A339-R343 PolarHBondContact O-N 3.32Å |
| 340 | D | 86.6 | Confident | 86.5 | Confident | 43 Ų | 43 | 65.5 Ų | 65.5 | 23% | 0.23 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -74.3 | -38.9 | 179.8 | -62.8 | -36.3 | 0 | 0 | 0 | 110.5 | R337 E338 K342 R343 A344 | R337-D340 HydrophobicContact CB-CB 4.42Å; R337-D340 WeakPolarHBondContact CB-OD2 3.41Å; R337-D340 WeakPolarHBondContact CD-OD2 3.42Å; R337-D340 PolarHBondContact O-N 3.46Å; E338-D340 VanDerWaalsContact C-N 3.31Å; E338-D340 PolarHBondContact O-N 3.15Å; D340-K342 PolarHBondContact O-N 3.32Å; D340-R343 PolarHBondContact O-N 3.49Å; D340-R343 IonicContact OD1-CZ 3.83Å; D340-R343 IonicContact OD1-NH1 2.75Å; D340-R343 PolarHBondContact OD1-NH1 2.87Å; D340-R343 IonicContact OD1-NH2 3.03Å; D340-A344 WeakPolarHBondContact O-CB 3.43Å; D340-A344 PolarHBondContact O-N 3.13Å |
| 341 | L | 87.4 | Confident | 86.5 | Confident | 22 Ų | 22 | 64.4 Ų | 64.4 | 12% | 0.115 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.6 | -44.5 | 169.8 | -179.6 | 60.9 | 0 | 0 | 0 | 112.3 | L297 L331 S334 R337 E338 R343 A344 L345 W384 | L297-L341 HydrophobicContact CD1-CD1 3.73Å; L331-L341 HydrophobicContact CD2-CD1 4.47Å; S334-L341 PolarHBondContact O-N 3.22Å; R337-L341 PolarHBondContact O-N 3.09Å; R337-L341 VanDerWaalsContact O-N 3.1Å; E338-L341 PolarHBondContact O-N 3.24Å; L341-R343 VanDerWaalsContact C-N 3.34Å; L341-R343 PolarHBondContact O-N 2.92Å; L341-A344 PolarHBondContact O-N 3.43Å; L341-L345 HydrophobicContact CD1-CD1 4.24Å; L341-L345 HydrophobicContact CD1-CG 4.24Å; L341-L345 HydrophobicContact CG-CD1 4.16Å; L341-L345 WeakPolarHBondContact O-CG 3.34Å; L341-L345 PolarHBondContact O-N 2.88Å; L341-W384 HydrophobicContact CD2-CB 4.2Å; L341-W384 HydrophobicContact CG-CB 4.4Å |
| 342 | K | 89.3 | Confident | 86.6 | Confident | 70 Ų | 70 | 64.2 Ų | 64.2 | 30% | 0.304 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59 | -46.1 | 175.8 | -80 | 171.2 | 170.4 | 166.2 | 0 | 111.3 | E338 A339 D340 L345 L346 W384 | E338-K342 WeakPolarHBondContact O-CG 3.39Å; E338-K342 PolarHBondContact O-N 3.47Å; E338-K342 VanDerWaalsContact OE1-CE 3.27Å; E338-K342 WeakPolarHBondContact OE1-CE 3.45Å; E338-K342 IonicContact OE1-NZ 3.58Å; E338-K342 PolarHBondContact OE1-NZ 3.47Å; A339-K342 PolarHBondContact O-N 2.94Å; D340-K342 PolarHBondContact O-N 3.32Å; K342-L345 PolarHBondContact O-N 3.44Å; K342-L346 VanDerWaalsContact O-CG 3.29Å; K342-L346 WeakPolarHBondContact O-CG 3.25Å; K342-L346 PolarHBondContact O-N 3.03Å; K342-L346 VanDerWaalsContact O-N 3.08Å; K342-W384 HydrophobicContact CD-CD2 4.41Å; K342-W384 HydrophobicContact CG-CB 4.14Å; K342-W384 HydrophobicContact CG-CD2 4.22Å; K342-W384 HydrophobicContact CG-CG 3.88Å |
| 343 | R | 90.1 | Very high | 86.7 | Confident | 134 Ų | 134 | 56.7 Ų | 56.7 | 51% | 0.506 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.7 | -49 | 177.2 | -171.8 | -173.9 | -61.2 | 111.2 | 2.9 | 111.4 | A339 D340 L341 L345 L346 E347 | A339-R343 PolarHBondContact O-N 3.32Å; D340-R343 PolarHBondContact O-N 3.49Å; D340-R343 IonicContact OD1-CZ 3.83Å; D340-R343 IonicContact OD1-NH1 2.75Å; D340-R343 PolarHBondContact OD1-NH1 2.87Å; D340-R343 IonicContact OD1-NH2 3.03Å; L341-R343 VanDerWaalsContact C-N 3.34Å; L341-R343 PolarHBondContact O-N 2.92Å; R343-L345 VanDerWaalsContact C-N 3.3Å; R343-L345 PolarHBondContact O-N 3.3Å; R343-L346 WeakPolarHBondContact O-CB 3.36Å; R343-L346 PolarHBondContact O-N 3.16Å; R343-E347 PolarHBondContact O-N 3.32Å; R343-E347 VanDerWaalsContact O-N 3.08Å |
| 344 | A | 90.4 | Very high | 87.1 | Confident | 5 Ų | 5 | 59.4 Ų | 59.4 | 4% | 0.041 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.6 | -43.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | L330 L331 D340 L341 L346 E347 L348 | L330-A344 WeakPolarHBondContact O-CB 3.42Å; L331-A344 HydrophobicContact CD2-CB 4.15Å; D340-A344 WeakPolarHBondContact O-CB 3.43Å; D340-A344 PolarHBondContact O-N 3.13Å; L341-A344 PolarHBondContact O-N 3.43Å; A344-L346 VanDerWaalsContact C-N 3.35Å; A344-L346 PolarHBondContact O-N 3Å; A344-E347 PolarHBondContact O-N 3.3Å; A344-L348 WeakPolarHBondContact O-CB 3.43Å; A344-L348 PolarHBondContact O-N 2.92Å |
| 345 | L | 91.4 | Very high | 87.5 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.8 | -31.5 | 177 | -68.4 | 172.4 | 0 | 0 | 0 | 113.4 | L331 L341 K342 R343 L348 R349 I380 L383 W384 | L331-L345 HydrophobicContact CD2-CD2 4.31Å; L341-L345 HydrophobicContact CD1-CD1 4.24Å; L341-L345 HydrophobicContact CD1-CG 4.24Å; L341-L345 HydrophobicContact CG-CD1 4.16Å; L341-L345 WeakPolarHBondContact O-CG 3.34Å; L341-L345 PolarHBondContact O-N 2.88Å; K342-L345 PolarHBondContact O-N 3.44Å; R343-L345 VanDerWaalsContact C-N 3.3Å; R343-L345 PolarHBondContact O-N 3.3Å; L345-L348 HydrophobicContact CD2-CD2 4.24Å; L345-R349 PolarHBondContact O-N 3.36Å; L345-I380 HydrophobicContact CD2-CG2 4.3Å; L345-L383 HydrophobicContact CD1-CB 4.09Å; L345-L383 HydrophobicContact CD2-CB 4.26Å; L345-L383 HydrophobicContact CD2-CD1 4.47Å; L345-W384 HydrophobicContact CD1-CB 3.81Å |
| 346 | L | 91.5 | Very high | 88.1 | Confident | 82 Ų | 82 | 56.9 Ų | 56.9 | 43% | 0.429 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.6 | -35.7 | 174.6 | -69.3 | 173.7 | 0 | 0 | 0 | 112.5 | K342 R343 A344 R349 | K342-L346 VanDerWaalsContact O-CG 3.29Å; K342-L346 WeakPolarHBondContact O-CG 3.25Å; K342-L346 PolarHBondContact O-N 3.03Å; K342-L346 VanDerWaalsContact O-N 3.08Å; R343-L346 WeakPolarHBondContact O-CB 3.36Å; R343-L346 PolarHBondContact O-N 3.16Å; A344-L346 VanDerWaalsContact C-N 3.35Å; A344-L346 PolarHBondContact O-N 3Å; L346-R349 VanDerWaalsContact O-CG 3.29Å; L346-R349 WeakPolarHBondContact O-CG 3.29Å; L346-R349 PolarHBondContact O-NE 2.88Å |
| 347 | E | 90.9 | Very high | 88.7 | Confident | 101 Ų | 101 | 55.8 Ų | 55.8 | 47% | 0.472 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -75 | -42.4 | 174 | -67.9 | 173.1 | -167 | 0 | 0 | 110.4 | L330 R343 A344 R349 E350 A351 | L330-E347 HydrophobicContact CD2-CB 4.45Å; R343-E347 PolarHBondContact O-N 3.32Å; R343-E347 VanDerWaalsContact O-N 3.08Å; A344-E347 PolarHBondContact O-N 3.3Å; E347-R349 VanDerWaalsContact C-N 3.34Å; E347-R349 PolarHBondContact O-N 2.69Å; E347-E350 PolarHBondContact O-N 3.14Å; E347-A351 PolarHBondContact O-N 3.11Å |
| 348 | L | 92.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.2 | -42.2 | -178.8 | -172.7 | 61.8 | 0 | 0 | 0 | 112.3 | V301 I327 L330 L331 A344 L345 E350 A351 V352 | V301-L348 HydrophobicContact CG1-CD2 4.21Å; V301-L348 HydrophobicContact CG2-CD2 3.74Å; I327-L348 HydrophobicContact CB-CD1 4.22Å; I327-L348 HydrophobicContact CG1-CD1 3.84Å; I327-L348 HydrophobicContact CG2-CD2 4.23Å; L330-L348 HydrophobicContact CB-CD1 4.31Å; L330-L348 HydrophobicContact CD1-CB 4.33Å; L330-L348 HydrophobicContact CD1-CD1 3.79Å; L331-L348 HydrophobicContact CD1-CD2 4.43Å; L331-L348 HydrophobicContact CD2-CD2 4.2Å; L331-L348 HydrophobicContact CG-CD2 4.24Å; A344-L348 WeakPolarHBondContact O-CB 3.43Å; A344-L348 PolarHBondContact O-N 2.92Å; L345-L348 HydrophobicContact CD2-CD2 4.24Å; L348-E350 VanDerWaalsContact C-N 3.29Å; L348-E350 PolarHBondContact O-N 3.19Å; L348-A351 PolarHBondContact O-N 2.84Å; L348-V352 HydrophobicContact CD1-CG2 3.99Å; L348-V352 HydrophobicContact CG-CG2 4.04Å; L348-V352 WeakPolarHBondContact O-CB 3.46Å; L348-V352 WeakPolarHBondContact O-CG2 3.37Å; L348-V352 PolarHBondContact O-N 2.86Å |
| 349 | R | 91.5 | Very high | 88.9 | Confident | 63 Ų | 63 | 46.3 Ų | 46.3 | 24% | 0.238 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.9 | -37.6 | -179.9 | 77.7 | -162.7 | -174.5 | 170.9 | -3 | 112.3 | L345 L346 E347 L353 R377 I380 S381 | L345-R349 PolarHBondContact O-N 3.36Å; L346-R349 VanDerWaalsContact O-CG 3.29Å; L346-R349 WeakPolarHBondContact O-CG 3.29Å; L346-R349 PolarHBondContact O-NE 2.88Å; E347-R349 VanDerWaalsContact C-N 3.34Å; E347-R349 PolarHBondContact O-N 2.69Å; R349-L353 WeakPolarHBondContact O-CB 3.26Å; R349-L353 WeakPolarHBondContact O-CD1 3.35Å; R349-L353 WeakPolarHBondContact O-CG 3.4Å; R349-L353 PolarHBondContact O-N 3.4Å; R349-L353 VanDerWaalsContact O-N 3.16Å; R349-R377 HydrophobicContact CB-CG 4.29Å; R349-R377 VanDerWaalsContact CD-CG 3.47Å; R349-R377 HydrophobicContact CG-CG 3.85Å; R349-I380 HydrophobicContact CB-CB 4.04Å; R349-I380 HydrophobicContact CB-CD1 4.34Å; R349-I380 HydrophobicContact CB-CG2 3.86Å; R349-S381 VanDerWaalsContact CD-OG 3.23Å; R349-S381 WeakPolarHBondContact CD-OG 3.49Å; R349-S381 PolarHBondContact NH1-OG 3.04Å |
| 350 | E | 92 | Very high | 88.6 | Confident | 79 Ų | 79 | 44.7 Ų | 44.7 | 37% | 0.369 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -75.3 | -40.7 | 178.4 | -58.5 | -52.1 | 142.3 | 0 | 0 | 110.7 | E347 L348 V352 L353 Q354 R377 | E347-E350 PolarHBondContact O-N 3.14Å; L348-E350 VanDerWaalsContact C-N 3.29Å; L348-E350 PolarHBondContact O-N 3.19Å; E350-V352 PolarHBondContact O-N 2.93Å; E350-L353 PolarHBondContact O-N 2.89Å; E350-Q354 WeakPolarHBondContact O-CB 3.3Å; E350-Q354 PolarHBondContact O-N 3.49Å; E350-R377 IonicContact OE1-CZ 3.65Å; E350-R377 IonicContact OE1-NE 3.51Å; E350-R377 PolarHBondContact OE1-NE 2.88Å; E350-R377 IonicContact OE1-NH2 3.34Å; E350-R377 IonicContact OE2-CZ 3.28Å; E350-R377 IonicContact OE2-NE 2.8Å; E350-R377 IonicContact OE2-NH2 3.97Å; E350-R377 PolarHBondContact OE2-NH2 3.17Å |
| 351 | A | 90.6 | Very high | 88.3 | Confident | 26 Ų | 26 | 47.2 Ų | 47.2 | 22% | 0.215 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.5 | -44 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T326 L330 E347 L348 Q354 Q355 | T326-A351 HydrophobicContact CG2-CB 3.95Å; L330-A351 HydrophobicContact CD1-CB 3.76Å; E347-A351 PolarHBondContact O-N 3.11Å; L348-A351 PolarHBondContact O-N 2.84Å; A351-Q354 PolarHBondContact O-N 2.96Å; A351-Q355 WeakPolarHBondContact O-CG 3.4Å; A351-Q355 PolarHBondContact O-N 2.94Å |
| 352 | V | 90 | Very high | 87.7 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.2 | -46.9 | 175.7 | 172.5 | 0 | 0 | 0 | 0 | 110.4 | V301 T305 L323 L348 E350 Q354 Q355 V356 L376 I380 | V301-V352 HydrophobicContact CG1-CG2 4Å; T305-V352 HydrophobicContact CG2-CG1 4.05Å; T305-V352 VanDerWaalsContact OG1-CG1 3.28Å; T305-V352 WeakPolarHBondContact OG1-CG1 3.3Å; L323-V352 HydrophobicContact CD1-CG1 4.4Å; L323-V352 HydrophobicContact CD1-CG2 3.94Å; L348-V352 HydrophobicContact CD1-CG2 3.99Å; L348-V352 HydrophobicContact CG-CG2 4.04Å; L348-V352 WeakPolarHBondContact O-CB 3.46Å; L348-V352 WeakPolarHBondContact O-CG2 3.37Å; L348-V352 PolarHBondContact O-N 2.86Å; E350-V352 PolarHBondContact O-N 2.93Å; V352-Q354 VanDerWaalsContact C-N 3.32Å; V352-Q354 PolarHBondContact O-N 3.37Å; V352-Q355 PolarHBondContact O-N 3.44Å; V352-V356 HydrophobicContact CG1-CG2 4.41Å; V352-V356 VanDerWaalsContact O-CG2 3.26Å; V352-V356 WeakPolarHBondContact O-CG2 3.31Å; V352-V356 PolarHBondContact O-N 3.42Å; V352-L376 HydrophobicContact CG1-CD2 4.2Å; V352-I380 HydrophobicContact CB-CD1 4.15Å; V352-I380 HydrophobicContact CG1-CD1 4.07Å; V352-I380 HydrophobicContact CG2-CD1 4.28Å |
| 353 | L | 88.8 | Confident | 86.7 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.2 | -41 | 178.2 | -75.1 | 171.8 | 0 | 0 | 0 | 112.3 | R349 E350 V356 K357 F368 Q373 L376 R377 | R349-L353 WeakPolarHBondContact O-CB 3.26Å; R349-L353 WeakPolarHBondContact O-CD1 3.35Å; R349-L353 WeakPolarHBondContact O-CG 3.4Å; R349-L353 PolarHBondContact O-N 3.4Å; R349-L353 VanDerWaalsContact O-N 3.16Å; E350-L353 PolarHBondContact O-N 2.89Å; L353-V356 PolarHBondContact O-N 3.44Å; L353-K357 VanDerWaalsContact O-CG 3.3Å; L353-K357 WeakPolarHBondContact O-CG 3.47Å; L353-K357 PolarHBondContact O-N 3.17Å; L353-F368 HydrophobicContact CD2-CD1 4.36Å; L353-F368 HydrophobicContact CD2-CE1 3.72Å; L353-Q373 HydrophobicContact CD2-CB 4.06Å; L353-Q373 HydrophobicContact CD2-CG 4.09Å; L353-L376 HydrophobicContact CD2-CB 4.5Å; L353-L376 HydrophobicContact CD2-CD2 3.91Å; L353-L376 HydrophobicContact CD2-CG 4.48Å; L353-R377 HydrophobicContact CD1-CB 4.22Å |
| 354 | Q | 89.4 | Confident | 85.4 | Confident | 98 Ų | 98 | 50 Ų | 50 | 46% | 0.458 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.3 | -46.5 | 177.8 | -176.5 | 59 | 27.1 | 0 | 0 | 111.3 | E350 A351 V352 V356 K357 E358 | E350-Q354 WeakPolarHBondContact O-CB 3.3Å; E350-Q354 PolarHBondContact O-N 3.49Å; A351-Q354 PolarHBondContact O-N 2.96Å; V352-Q354 VanDerWaalsContact C-N 3.32Å; V352-Q354 PolarHBondContact O-N 3.37Å; Q354-V356 VanDerWaalsContact C-N 3.34Å; Q354-V356 PolarHBondContact O-N 2.85Å; Q354-K357 PolarHBondContact O-N 3.42Å; Q354-E358 WeakPolarHBondContact CG-OE1 3.43Å; Q354-E358 PolarHBondContact NE2-OE1 2.95Å; Q354-E358 WeakPolarHBondContact O-CG 3.36Å; Q354-E358 PolarHBondContact O-N 2.66Å |
| 355 | Q | 88.3 | Confident | 83.9 | Confident | 22 Ų | 22 | 51.5 Ų | 51.5 | 10% | 0.103 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64 | -38.1 | 176.8 | -71.6 | -170.9 | 22.9 | 0 | 0 | 112.9 | F319 T326 A351 V352 E358 A359 | F319-Q355 HydrophobicContact CE2-CB 4.15Å; T326-Q355 PolarHBondContact OG1-NE2 3.25Å; A351-Q355 WeakPolarHBondContact O-CG 3.4Å; A351-Q355 PolarHBondContact O-N 2.94Å; V352-Q355 PolarHBondContact O-N 3.44Å; Q355-E358 PolarHBondContact O-N 3.4Å; Q355-A359 VanDerWaalsContact O-CB 3.29Å; Q355-A359 WeakPolarHBondContact O-CB 3.32Å; Q355-A359 PolarHBondContact O-N 3.36Å |
| 356 | V | 86.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.7 | -41.3 | 175.5 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | T305 F319 V352 L353 Q354 A359 L360 F368 | T305-V356 HydrophobicContact CG2-CG2 3.84Å; F319-V356 HydrophobicContact CZ-CG2 4.05Å; V352-V356 HydrophobicContact CG1-CG2 4.41Å; V352-V356 VanDerWaalsContact O-CG2 3.26Å; V352-V356 WeakPolarHBondContact O-CG2 3.31Å; V352-V356 PolarHBondContact O-N 3.42Å; L353-V356 PolarHBondContact O-N 3.44Å; Q354-V356 VanDerWaalsContact C-N 3.34Å; Q354-V356 PolarHBondContact O-N 2.85Å; V356-A359 PolarHBondContact O-N 3.27Å; V356-L360 HydrophobicContact CG1-CD1 4.04Å; V356-L360 WeakPolarHBondContact O-CG 3.33Å; V356-L360 PolarHBondContact O-N 2.95Å; V356-F368 HydrophobicContact CG1-CD1 4.15Å; V356-F368 HydrophobicContact CG1-CE1 4.21Å; V356-F368 HydrophobicContact CG1-CG 4.41Å; V356-F368 HydrophobicContact CG1-CZ 4.46Å |
| 357 | K | 85.5 | Confident | 81.7 | Confident | 72 Ų | 72 | 59.4 Ų | 59.4 | 31% | 0.313 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.4 | -47 | 176.1 | -74.4 | 172.1 | -177.2 | 178.3 | 0 | 111.8 | L353 Q354 A359 L360 S361 Q373 | L353-K357 VanDerWaalsContact O-CG 3.3Å; L353-K357 WeakPolarHBondContact O-CG 3.47Å; L353-K357 PolarHBondContact O-N 3.17Å; Q354-K357 PolarHBondContact O-N 3.42Å; K357-A359 VanDerWaalsContact C-N 3.32Å; K357-A359 PolarHBondContact O-N 3.5Å; K357-L360 PolarHBondContact O-N 3.39Å; K357-L360 VanDerWaalsContact O-N 3.14Å; K357-S361 PolarHBondContact O-N 2.65Å; K357-S361 PolarHBondContact O-OG 3.18Å; K357-S361 VanDerWaalsContact O-OG 3.12Å; K357-Q373 VanDerWaalsContact CE-CD 3.44Å |
| 358 | E | 85 | Confident | 81.1 | Confident | 85 Ų | 85 | 55.6 Ų | 55.6 | 40% | 0.397 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.3 | -42.7 | 176.5 | -72.4 | 171.4 | -166.1 | 0 | 0 | 111.9 | Q354 Q355 L360 S361 T362 | Q354-E358 WeakPolarHBondContact CG-OE1 3.43Å; Q354-E358 PolarHBondContact NE2-OE1 2.95Å; Q354-E358 WeakPolarHBondContact O-CG 3.36Å; Q354-E358 PolarHBondContact O-N 2.66Å; Q355-E358 PolarHBondContact O-N 3.4Å; E358-L360 VanDerWaalsContact C-N 3.32Å; E358-L360 PolarHBondContact O-N 2.9Å; E358-S361 PolarHBondContact O-N 3.01Å; E358-T362 WeakPolarHBondContact O-CG2 3.35Å; E358-T362 PolarHBondContact O-N 3.43Å; E358-T362 PolarHBondContact O-OG1 3.41Å; E358-T362 VanDerWaalsContact O-OG1 3.07Å |
| 359 | A | 82.9 | Confident | 80.7 | Confident | 8 Ų | 8 | 58.2 Ų | 58.2 | 7% | 0.066 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.8 | -34.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L316 F319 Q355 V356 K357 T362 Q363 | L316-A359 HydrophobicContact CD1-CB 3.94Å; F319-A359 HydrophobicContact CD2-CB 3.86Å; F319-A359 HydrophobicContact CE2-CB 3.85Å; Q355-A359 VanDerWaalsContact O-CB 3.29Å; Q355-A359 WeakPolarHBondContact O-CB 3.32Å; Q355-A359 PolarHBondContact O-N 3.36Å; V356-A359 PolarHBondContact O-N 3.27Å; K357-A359 VanDerWaalsContact C-N 3.32Å; K357-A359 PolarHBondContact O-N 3.5Å; A359-T362 PolarHBondContact O-OG1 2.88Å; A359-Q363 WeakPolarHBondContact O-CG 3.34Å |
| 360 | L | 80.1 | Confident | 80.3 | Confident | 25 Ų | 25 | 63.1 Ų | 63.1 | 13% | 0.131 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -73.1 | -42.3 | 175.3 | -74.9 | 164.8 | 0 | 0 | 0 | 112.1 | T313 V356 K357 E358 T362 Q363 G364 G365 F368 | T313-L360 HydrophobicContact CG2-CD2 3.34Å; T313-L360 HydrophobicContact CG2-CG 3.79Å; V356-L360 HydrophobicContact CG1-CD1 4.04Å; V356-L360 WeakPolarHBondContact O-CG 3.33Å; V356-L360 PolarHBondContact O-N 2.95Å; K357-L360 PolarHBondContact O-N 3.39Å; K357-L360 VanDerWaalsContact O-N 3.14Å; E358-L360 VanDerWaalsContact C-N 3.32Å; E358-L360 PolarHBondContact O-N 2.9Å; L360-T362 VanDerWaalsContact C-N 3.32Å; L360-T362 PolarHBondContact O-N 3.07Å; L360-Q363 PolarHBondContact O-N 3.12Å; L360-G364 PolarHBondContact O-N 3.27Å; L360-G365 PolarHBondContact O-N 3.46Å; L360-F368 HydrophobicContact CD1-CB 3.54Å; L360-F368 HydrophobicContact CD1-CD2 4.11Å; L360-F368 HydrophobicContact CD1-CG 3.95Å |
| 361 | S | 79.2 | Confident | 79.9 | Confident | 97 Ų | 97 | 67.3 Ų | 67.3 | 68% | 0.678 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -63.1 | -36.9 | 178.4 | -60.2 | 0 | 0 | 0 | 0 | 112.7 | K357 E358 Q363 G364 | K357-S361 PolarHBondContact O-N 2.65Å; K357-S361 PolarHBondContact O-OG 3.18Å; K357-S361 VanDerWaalsContact O-OG 3.12Å; E358-S361 PolarHBondContact O-N 3.01Å; S361-Q363 VanDerWaalsContact C-N 3.27Å; S361-Q363 PolarHBondContact O-N 3.38Å; S361-G364 PolarHBondContact O-N 3.41Å |
| 362 | T | 76.1 | Confident | 79.6 | Confident | 106 Ų | 106 | 67.7 Ų | 67.7 | 65% | 0.65 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -69.7 | -20.9 | 177.8 | 49.3 | 0 | 0 | 0 | 0 | 113.9 | E358 A359 L360 | E358-T362 WeakPolarHBondContact O-CG2 3.35Å; E358-T362 PolarHBondContact O-N 3.43Å; E358-T362 PolarHBondContact O-OG1 3.41Å; E358-T362 VanDerWaalsContact O-OG1 3.07Å; A359-T362 PolarHBondContact O-OG1 2.88Å; L360-T362 VanDerWaalsContact C-N 3.32Å; L360-T362 PolarHBondContact O-N 3.07Å |
| 363 | Q | 68.3 | Low | 79.4 | Confident | 104 Ų | 104 | 69 Ų | 69 | 49% | 0.486 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 1.2 | 179.7 | -69.6 | -63.9 | -58.5 | 0 | 0 | 113.8 | L316 A359 L360 S361 G365 | L316-Q363 HydrophobicContact CD1-CG 3.81Å; L316-Q363 HydrophobicContact CD2-CG 3.74Å; L316-Q363 HydrophobicContact CG-CG 4.34Å; A359-Q363 WeakPolarHBondContact O-CG 3.34Å; L360-Q363 PolarHBondContact O-N 3.12Å; S361-Q363 VanDerWaalsContact C-N 3.27Å; S361-Q363 PolarHBondContact O-N 3.38Å; Q363-G365 PolarHBondContact O-N 3.29Å |
| 364 | G | 62.3 | Low | 79.4 | Confident | 74 Ų | 74 | 73.3 Ų | 73.3 | 76% | 0.763 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 16.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L360 S361 | L360-G364 PolarHBondContact O-N 3.27Å; S361-G364 PolarHBondContact O-N 3.41Å |
| 365 | G | 58.9 | Low | 79.4 | Confident | 36 Ų | 36 | 73 Ų | 73 | 37% | 0.371 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 144.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L360 Q363 | L360-G365 PolarHBondContact O-N 3.46Å; Q363-G365 PolarHBondContact O-N 3.29Å |
| 366 | G | 65.1 | Low | 79.4 | Confident | 64 Ų | 64 | 71.9 Ų | 71.9 | 66% | 0.66 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 164.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114 | F368 | G366-F368 PolarHBondContact O-N 3.16Š|
| 367 | E | 71.3 | Confident | 79.6 | Confident | 186 Ų | 186 | 74.9 Ų | 74.9 | 87% | 0.869 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -53 | 138.1 | -177.8 | -66 | -171.3 | 160.2 | 0 | 0 | 112.5 | P369 | E367-P369 WeakPolarHBondContact O-CD 3.28Š|
| 368 | F | 78.3 | Confident | 79.8 | Confident | 21 Ų | 21 | 73 Ų | 73 | 9% | 0.092 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -66 | 119.5 | 172.6 | -169 | -145.1 | 0 | 0 | 0 | 108.9 | H308 L353 V356 L360 G366 K370 Q373 L376 | H308-F368 HydrophobicContact CB-CZ 4.39Å; L353-F368 HydrophobicContact CD2-CD1 4.36Å; L353-F368 HydrophobicContact CD2-CE1 3.72Å; V356-F368 HydrophobicContact CG1-CD1 4.15Å; V356-F368 HydrophobicContact CG1-CE1 4.21Å; V356-F368 HydrophobicContact CG1-CG 4.41Å; V356-F368 HydrophobicContact CG1-CZ 4.46Å; L360-F368 HydrophobicContact CD1-CB 3.54Å; L360-F368 HydrophobicContact CD1-CD2 4.11Å; L360-F368 HydrophobicContact CD1-CG 3.95Å; G366-F368 PolarHBondContact O-N 3.16Å; F368-K370 PolarHBondContact O-N 3.3Å; F368-Q373 HydrophobicContact CB-CG 4.43Å; F368-Q373 HydrophobicContact CD1-CB 4.37Å; F368-Q373 HydrophobicContact CD1-CG 3.15Å; F368-Q373 HydrophobicContact CE1-CB 4.22Å; F368-Q373 HydrophobicContact CE1-CG 3.42Å; F368-Q373 VanDerWaalsContact CE1-CG 3.42Å; F368-Q373 HydrophobicContact CG-CG 3.97Å; F368-Q373 HydrophobicContact CZ-CG 4.45Å; F368-Q373 PolarHBondContact O-NE2 2.88Å; F368-L376 HydrophobicContact CZ-CD2 4.5Å |
| 369 | P | 83.6 | Confident | 80.1 | Confident | 55 Ų | 55 | 72 Ų | 72 | 36% | 0.357 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 135.5 | -174 | -25.8 | 34.6 | 0 | 0 | 0 | 112.1 | E367 E371 S372 Q373 | E367-P369 WeakPolarHBondContact O-CD 3.28Å; P369-E371 PolarHBondContact O-N 3.26Å; P369-S372 PolarHBondContact O-N 3.02Å; P369-S372 VanDerWaalsContact O-N 3.09Å; P369-Q373 WeakPolarHBondContact O-CG 3.07Å; P369-Q373 PolarHBondContact O-N 3.34Å |
| 370 | K | 83.2 | Confident | 80.5 | Confident | 166 Ų | 166 | 71.7 Ų | 71.7 | 72% | 0.722 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -57.3 | -38.1 | -179.8 | -69.4 | -177.6 | -179.7 | 177 | 0 | 112.1 | F368 S372 Q373 D374 | F368-K370 PolarHBondContact O-N 3.3Å; K370-S372 PolarHBondContact O-N 2.87Å; K370-Q373 WeakPolarHBondContact O-CB 3.37Å; K370-Q373 PolarHBondContact O-N 3.44Å; K370-D374 PolarHBondContact O-N 3.07Å |
| 371 | E | 85.3 | Confident | 81 | Confident | 166 Ų | 166 | 71.5 Ų | 71.5 | 78% | 0.776 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -61 | -43.4 | 176 | -63.4 | 177.7 | -179.5 | 0 | 0 | 112.4 | P369 Q373 D374 L375 | P369-E371 PolarHBondContact O-N 3.26Å; E371-Q373 VanDerWaalsContact C-N 3.34Å; E371-D374 PolarHBondContact O-N 3.47Å; E371-L375 VanDerWaalsContact O-CB 3.28Å; E371-L375 WeakPolarHBondContact O-CB 3.37Å; E371-L375 PolarHBondContact O-N 3.2Å |
| 372 | S | 83.8 | Confident | 81.5 | Confident | 35 Ų | 35 | 69.9 Ų | 69.9 | 25% | 0.245 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -69.1 | -32.4 | 176 | -54.5 | 0 | 0 | 0 | 0 | 112.2 | P369 K370 L376 | P369-S372 PolarHBondContact O-N 3.02Å; P369-S372 VanDerWaalsContact O-N 3.09Å; K370-S372 PolarHBondContact O-N 2.87Å; S372-L376 VanDerWaalsContact O-CB 3.28Å; S372-L376 WeakPolarHBondContact O-CB 3.31Å; S372-L376 PolarHBondContact O-N 3.03Å |
| 373 | Q | 86.1 | Confident | 82.2 | Confident | 27 Ų | 27 | 64.8 Ų | 64.8 | 13% | 0.126 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.4 | -50 | 172.7 | -69.3 | -179.8 | 45.2 | 0 | 0 | 111.4 | L353 K357 F368 P369 K370 E371 L375 L376 R377 | L353-Q373 HydrophobicContact CD2-CB 4.06Å; L353-Q373 HydrophobicContact CD2-CG 4.09Å; K357-Q373 VanDerWaalsContact CE-CD 3.44Å; F368-Q373 HydrophobicContact CB-CG 4.43Å; F368-Q373 HydrophobicContact CD1-CB 4.37Å; F368-Q373 HydrophobicContact CD1-CG 3.15Å; F368-Q373 HydrophobicContact CE1-CB 4.22Å; F368-Q373 HydrophobicContact CE1-CG 3.42Å; F368-Q373 VanDerWaalsContact CE1-CG 3.42Å; F368-Q373 HydrophobicContact CG-CG 3.97Å; F368-Q373 HydrophobicContact CZ-CG 4.45Å; F368-Q373 PolarHBondContact O-NE2 2.88Å; P369-Q373 WeakPolarHBondContact O-CG 3.07Å; P369-Q373 PolarHBondContact O-N 3.34Å; K370-Q373 WeakPolarHBondContact O-CB 3.37Å; K370-Q373 PolarHBondContact O-N 3.44Å; E371-Q373 VanDerWaalsContact C-N 3.34Å; Q373-L375 VanDerWaalsContact C-N 3.34Å; Q373-L376 PolarHBondContact O-N 3.41Å; Q373-R377 VanDerWaalsContact O-CB 3.29Å; Q373-R377 WeakPolarHBondContact O-CB 3.41Å; Q373-R377 PolarHBondContact O-N 2.9Å |
| 374 | D | 87.8 | Confident | 83 | Confident | 93 Ų | 93 | 63.5 Ų | 63.5 | 50% | 0.497 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -68.2 | -36.4 | -177.8 | -67.7 | -30.8 | 0 | 0 | 0 | 111.4 | K370 E371 R377 G378 | K370-D374 PolarHBondContact O-N 3.07Å; E371-D374 PolarHBondContact O-N 3.47Å; D374-R377 PolarHBondContact O-N 2.9Å; D374-R377 IonicContact OD1-NH1 2.9Å; D374-R377 PolarHBondContact OD1-NH1 2.91Å; D374-G378 PolarHBondContact O-N 3.2Å |
| 375 | L | 89.9 | Confident | 84.1 | Confident | 90 Ų | 90 | 64.2 Ų | 64.2 | 47% | 0.471 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.4 | -48.2 | 174.3 | -175.9 | 59.9 | 0 | 0 | 0 | 112.1 | H308 E371 Q373 R377 G378 Q379 | H308-L375 VanDerWaalsContact CE1-CD2 3.47Å; H308-L375 WeakPolarHBondContact CE1-CD2 3.28Å; E371-L375 VanDerWaalsContact O-CB 3.28Å; E371-L375 WeakPolarHBondContact O-CB 3.37Å; E371-L375 PolarHBondContact O-N 3.2Å; Q373-L375 VanDerWaalsContact C-N 3.34Å; L375-R377 VanDerWaalsContact C-N 3.31Å; L375-R377 PolarHBondContact O-N 3.08Å; L375-G378 PolarHBondContact O-N 3.49Å; L375-Q379 HydrophobicContact CD1-CG 4.29Å; L375-Q379 WeakPolarHBondContact O-CB 3.29Å; L375-Q379 WeakPolarHBondContact O-CG 3.31Å; L375-Q379 PolarHBondContact O-N 3.02Å |
| 376 | L | 88.8 | Confident | 84.8 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.4 | -41.6 | 176.4 | 179.5 | 62.8 | 0 | 0 | 0 | 111 | L304 V352 L353 F368 S372 Q373 G378 Q379 I380 | L304-L376 HydrophobicContact CB-CD1 3.95Å; V352-L376 HydrophobicContact CG1-CD2 4.2Å; L353-L376 HydrophobicContact CD2-CB 4.5Å; L353-L376 HydrophobicContact CD2-CD2 3.91Å; L353-L376 HydrophobicContact CD2-CG 4.48Å; F368-L376 HydrophobicContact CZ-CD2 4.5Å; S372-L376 VanDerWaalsContact O-CB 3.28Å; S372-L376 WeakPolarHBondContact O-CB 3.31Å; S372-L376 PolarHBondContact O-N 3.03Å; Q373-L376 PolarHBondContact O-N 3.41Å; L376-G378 PolarHBondContact O-N 3.33Å; L376-Q379 PolarHBondContact O-N 3.36Å; L376-I380 HydrophobicContact CD1-CD1 3.8Å; L376-I380 HydrophobicContact CD1-CG1 4.08Å; L376-I380 HydrophobicContact CG-CD1 3.91Å; L376-I380 WeakPolarHBondContact O-CG1 3.49Å; L376-I380 PolarHBondContact O-N 2.93Å |
| 377 | R | 90.2 | Very high | 85.5 | Confident | 63 Ų | 63 | 72.6 Ų | 72.6 | 24% | 0.238 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.2 | -47.5 | 175.6 | -172.4 | -176.2 | -80 | 129.6 | -2.6 | 111.7 | R349 E350 L353 Q373 D374 L375 S381 | R349-R377 HydrophobicContact CB-CG 4.29Å; R349-R377 VanDerWaalsContact CD-CG 3.47Å; R349-R377 HydrophobicContact CG-CG 3.85Å; E350-R377 IonicContact OE1-CZ 3.65Å; E350-R377 IonicContact OE1-NE 3.51Å; E350-R377 PolarHBondContact OE1-NE 2.88Å; E350-R377 IonicContact OE1-NH2 3.34Å; E350-R377 IonicContact OE2-CZ 3.28Å; E350-R377 IonicContact OE2-NE 2.8Å; E350-R377 IonicContact OE2-NH2 3.97Å; E350-R377 PolarHBondContact OE2-NH2 3.17Å; L353-R377 HydrophobicContact CD1-CB 4.22Å; Q373-R377 VanDerWaalsContact O-CB 3.29Å; Q373-R377 WeakPolarHBondContact O-CB 3.41Å; Q373-R377 PolarHBondContact O-N 2.9Å; D374-R377 PolarHBondContact O-N 2.9Å; D374-R377 IonicContact OD1-NH1 2.9Å; D374-R377 PolarHBondContact OD1-NH1 2.91Å; L375-R377 VanDerWaalsContact C-N 3.31Å; L375-R377 PolarHBondContact O-N 3.08Å; R377-S381 WeakPolarHBondContact O-CB 3.31Å; R377-S381 PolarHBondContact O-N 2.95Å; R377-S381 VanDerWaalsContact O-N 3.08Å; R377-S381 PolarHBondContact O-OG 3.18Å |
| 378 | G | 90.1 | Very high | 86.4 | Confident | 33 Ų | 33 | 64.5 Ų | 64.5 | 34% | 0.34 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.8 | -48 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D374 L375 L376 I380 S381 D382 | D374-G378 PolarHBondContact O-N 3.2Å; L375-G378 PolarHBondContact O-N 3.49Å; L376-G378 PolarHBondContact O-N 3.33Å; G378-I380 PolarHBondContact O-N 2.98Å; G378-S381 CarbonylContact O-C 2.99Å; G378-S381 WeakPolarHBondContact O-CB 3.48Å; G378-S381 PolarHBondContact O-N 2.81Å; G378-D382 PolarHBondContact O-N 2.74Å |
| 379 | Q | 91.6 | Very high | 86.9 | Confident | 64 Ų | 64 | 68.3 Ų | 68.3 | 30% | 0.299 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.4 | -40.2 | -177.9 | -72.3 | -177.2 | -35.3 | 0 | 0 | 113.3 | L304 H308 L375 L376 D382 | L304-Q379 HydrophobicContact CD1-CB 3.92Å; L304-Q379 HydrophobicContact CD2-CB 4.04Å; H308-Q379 PolarHBondContact NE2-OE1 2.91Å; L375-Q379 HydrophobicContact CD1-CG 4.29Å; L375-Q379 WeakPolarHBondContact O-CB 3.29Å; L375-Q379 WeakPolarHBondContact O-CG 3.31Å; L375-Q379 PolarHBondContact O-N 3.02Å; L376-Q379 PolarHBondContact O-N 3.36Å; Q379-D382 PolarHBondContact O-N 3.21Å |
| 380 | I | 91.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.8 | -42.6 | 173.2 | -66.5 | 171.9 | 0 | 0 | 0 | 110.3 | V301 L304 L345 R349 V352 L376 G378 D382 L383 | V301-I380 HydrophobicContact CG1-CD1 4.45Å; L304-I380 HydrophobicContact CD1-CG1 4.17Å; L345-I380 HydrophobicContact CD2-CG2 4.3Å; R349-I380 HydrophobicContact CB-CB 4.04Å; R349-I380 HydrophobicContact CB-CD1 4.34Å; R349-I380 HydrophobicContact CB-CG2 3.86Å; V352-I380 HydrophobicContact CB-CD1 4.15Å; V352-I380 HydrophobicContact CG1-CD1 4.07Å; V352-I380 HydrophobicContact CG2-CD1 4.28Å; L376-I380 HydrophobicContact CD1-CD1 3.8Å; L376-I380 HydrophobicContact CD1-CG1 4.08Å; L376-I380 HydrophobicContact CG-CD1 3.91Å; L376-I380 WeakPolarHBondContact O-CG1 3.49Å; L376-I380 PolarHBondContact O-N 2.93Å; G378-I380 PolarHBondContact O-N 2.98Å; I380-D382 PolarHBondContact O-N 3.33Å; I380-L383 WeakPolarHBondContact O-CB 3.35Å; I380-L383 PolarHBondContact O-N 3.14Å |
| 381 | S | 89.9 | Confident | 87.4 | Confident | 21 Ų | 21 | 61.2 Ų | 61.2 | 15% | 0.147 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.5 | -22.5 | 176.9 | -54.5 | 0 | 0 | 0 | 0 | 112.5 | R349 R377 G378 W384 | R349-S381 VanDerWaalsContact CD-OG 3.23Å; R349-S381 WeakPolarHBondContact CD-OG 3.49Å; R349-S381 PolarHBondContact NH1-OG 3.04Å; R377-S381 WeakPolarHBondContact O-CB 3.31Å; R377-S381 PolarHBondContact O-N 2.95Å; R377-S381 VanDerWaalsContact O-N 3.08Å; R377-S381 PolarHBondContact O-OG 3.18Å; G378-S381 CarbonylContact O-C 2.99Å; G378-S381 WeakPolarHBondContact O-CB 3.48Å; G378-S381 PolarHBondContact O-N 2.81Å; S381-W384 PolarHBondContact O-NE1 3.38Å |
| 382 | D | 90.5 | Very high | 87.6 | Confident | 63 Ų | 63 | 55.5 Ų | 55.5 | 34% | 0.337 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -2.7 | 179.9 | -83.9 | -24.8 | 0 | 0 | 0 | 114 | G378 Q379 I380 W384 K385 N388 | G378-D382 PolarHBondContact O-N 2.74Å; Q379-D382 PolarHBondContact O-N 3.21Å; I380-D382 PolarHBondContact O-N 3.33Å; D382-W384 VanDerWaalsContact C-N 3.26Å; D382-W384 PolarHBondContact O-N 2.93Å; D382-K385 HydrophobicContact CB-CD 4.5Å; D382-K385 WeakPolarHBondContact O-CB 3.42Å; D382-K385 PolarHBondContact O-N 2.82Å; D382-K385 WeakPolarHBondContact OD1-CE 3.16Å; D382-K385 IonicContact OD1-NZ 3.72Å; D382-K385 PolarHBondContact OD1-NZ 3.33Å; D382-K385 IonicContact OD2-NZ 3.51Å; D382-N388 PolarHBondContact O-ND2 3.3Å; D382-N388 VanDerWaalsContact O-ND2 3.12Å |
| 383 | L | 89.2 | Confident | 87.9 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -19.2 | -179.1 | -69.7 | 177.4 | 0 | 0 | 0 | 113.9 | L297 V301 L304 L345 I380 K385 | L297-L383 HydrophobicContact CD2-CB 4.2Å; V301-L383 HydrophobicContact CG2-CD1 3.46Å; V301-L383 VanDerWaalsContact CG2-CD1 3.46Å; L304-L383 HydrophobicContact CD1-CD1 4.03Å; L304-L383 HydrophobicContact CD1-CD2 4.08Å; L304-L383 HydrophobicContact CD1-CG 4.19Å; L345-L383 HydrophobicContact CD1-CB 4.09Å; L345-L383 HydrophobicContact CD2-CB 4.26Å; L345-L383 HydrophobicContact CD2-CD1 4.47Å; I380-L383 WeakPolarHBondContact O-CB 3.35Å; I380-L383 PolarHBondContact O-N 3.14Å; L383-K385 PolarHBondContact O-N 3.45Å |
| 384 | W | 86 | Confident | 88.1 | Confident | 76 Ų | 76 | 55.9 Ų | 55.9 | 29% | 0.288 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -23.7 | 174.7 | 68.9 | -95.3 | 0 | 0 | 0 | 112.3 | E338 L341 K342 L345 S381 D382 N386 | E338-W384 HydrophobicContact CG-CE3 4.39Å; E338-W384 VanDerWaalsContact OE1-CZ3 3.22Å; E338-W384 WeakPolarHBondContact OE1-CZ3 3.43Å; L341-W384 HydrophobicContact CD2-CB 4.2Å; L341-W384 HydrophobicContact CG-CB 4.4Å; K342-W384 HydrophobicContact CD-CD2 4.41Å; K342-W384 HydrophobicContact CG-CB 4.14Å; K342-W384 HydrophobicContact CG-CD2 4.22Å; K342-W384 HydrophobicContact CG-CG 3.88Å; L345-W384 HydrophobicContact CD1-CB 3.81Å; S381-W384 PolarHBondContact O-NE1 3.38Å; D382-W384 VanDerWaalsContact C-N 3.26Å; D382-W384 PolarHBondContact O-N 2.93Å; W384-N386 PolarHBondContact O-N 3.39Å |
| 385 | K | 86.1 | Confident | 88.2 | Confident | 89 Ų | 89 | 51.8 Ų | 51.8 | 39% | 0.387 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -69 | 127 | -179.9 | -65.4 | 170.6 | 177.2 | 161.6 | 0 | 109.8 | D382 L383 N387 N388 | D382-K385 HydrophobicContact CB-CD 4.5Å; D382-K385 WeakPolarHBondContact O-CB 3.42Å; D382-K385 PolarHBondContact O-N 2.82Å; D382-K385 WeakPolarHBondContact OD1-CE 3.16Å; D382-K385 IonicContact OD1-NZ 3.72Å; D382-K385 PolarHBondContact OD1-NZ 3.33Å; D382-K385 IonicContact OD2-NZ 3.51Å; L383-K385 PolarHBondContact O-N 3.45Å; K385-N387 PolarHBondContact O-N 3.14Å; K385-N388 VanDerWaalsContact O-CB 3.29Å; K385-N388 WeakPolarHBondContact O-CB 3.39Å; K385-N388 PolarHBondContact O-N 2.99Å; K385-N388 VanDerWaalsContact O-N 3.14Å |
| 386 | N | 73.9 | Confident | 88.1 | Confident | 123 Ų | 123 | 53.1 Ų | 53.1 | 66% | 0.658 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -28.8 | 179.4 | -68.9 | -19.4 | 0 | 0 | 0 | 113 | W384 N388 R391 | W384-N386 PolarHBondContact O-N 3.39Å; N386-N388 VanDerWaalsContact C-N 3.31Å; N386-N388 PolarHBondContact O-N 3.27Å; N386-R391 PolarHBondContact OD1-NH1 3.46Å |
| 387 | N | 79.8 | Confident | 88.2 | Confident | 153 Ų | 153 | 57.2 Ų | 57.2 | 82% | 0.818 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 17.7 | 177.7 | -67.8 | -2.6 | 0 | 0 | 0 | 113.6 | K385 | K385-N387 PolarHBondContact O-N 3.14Š|
| 388 | N | 90.2 | Very high | 88.1 | Confident | 17 Ų | 17 | 54.4 Ų | 54.4 | 9% | 0.091 | 29% | 0.287 | C | S | . | . | trans | -65.1 | 129.4 | 177.2 | -177.3 | -68.8 | 0 | 0 | 0 | 109.9 | D382 K385 N386 V390 R391 S392 | D382-N388 PolarHBondContact O-ND2 3.3Å; D382-N388 VanDerWaalsContact O-ND2 3.12Å; K385-N388 VanDerWaalsContact O-CB 3.29Å; K385-N388 WeakPolarHBondContact O-CB 3.39Å; K385-N388 PolarHBondContact O-N 2.99Å; K385-N388 VanDerWaalsContact O-N 3.14Å; N386-N388 VanDerWaalsContact C-N 3.31Å; N386-N388 PolarHBondContact O-N 3.27Å; N388-V390 VanDerWaalsContact C-N 3.33Å; N388-V390 PolarHBondContact O-N 3.26Å; N388-V390 WeakPolarHBondContact OD1-CA 3.4Å; N388-V390 WeakPolarHBondContact OD1-CB 3.5Å; N388-V390 PolarHBondContact OD1-N 3.41Å; N388-R391 HydrophobicContact CB-CB 3.95Å; N388-R391 PolarHBondContact O-N 3.33Å; N388-R391 PolarHBondContact OD1-N 3.49Å; N388-S392 WeakPolarHBondContact O-CB 3.44Å; N388-S392 PolarHBondContact O-N 2.94Å; N388-S392 PolarHBondContact O-OG 3.1Å | ||
| 389 | P | 88.4 | Confident | 88.1 | Confident | 100 Ų | 100 | 57.1 Ų | 57.1 | 65% | 0.649 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -66.1 | -34.4 | -174.8 | 25.3 | -34.2 | 0 | 0 | 0 | 112.6 | L393 | P389-L393 VanDerWaalsContact O-CB 3.25Å; P389-L393 WeakPolarHBondContact O-CB 3.32Å; P389-L393 PolarHBondContact O-N 2.9Å |
| 390 | V | 89 | Confident | 87.9 | Confident | 31 Ų | 31 | 56 Ų | 56 | 19% | 0.188 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.8 | -48.2 | 177.1 | -177.6 | 0 | 0 | 0 | 0 | 109.8 | L303 L304 N388 S392 L393 I394 | L303-V390 HydrophobicContact CD2-CG1 4.06Å; L304-V390 HydrophobicContact CD2-CG2 4.08Å; L304-V390 HydrophobicContact CG-CG1 4.46Å; N388-V390 VanDerWaalsContact C-N 3.33Å; N388-V390 PolarHBondContact O-N 3.26Å; N388-V390 WeakPolarHBondContact OD1-CA 3.4Å; N388-V390 WeakPolarHBondContact OD1-CB 3.5Å; N388-V390 PolarHBondContact OD1-N 3.41Å; V390-S392 VanDerWaalsContact C-N 3.3Å; V390-S392 PolarHBondContact O-N 3.36Å; V390-L393 PolarHBondContact O-N 3.28Å; V390-I394 HydrophobicContact CG1-CG1 4.45Å; V390-I394 WeakPolarHBondContact O-CB 3.29Å; V390-I394 VanDerWaalsContact O-CG1 3.31Å; V390-I394 WeakPolarHBondContact O-CG1 3.44Å; V390-I394 PolarHBondContact O-N 2.64Å |
| 391 | R | 88.4 | Confident | 87.8 | Confident | 41 Ų | 41 | 56.5 Ų | 56.5 | 16% | 0.155 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.4 | -40.9 | 177.1 | -170.7 | 177.7 | 176.7 | -166.9 | -6 | 111.9 | V296 N386 N388 G395 | V296-R391 HydrophobicContact CG1-CG 3.9Å; N386-R391 PolarHBondContact OD1-NH1 3.46Å; N388-R391 HydrophobicContact CB-CB 3.95Å; N388-R391 PolarHBondContact O-N 3.33Å; N388-R391 PolarHBondContact OD1-N 3.49Å; R391-G395 PolarHBondContact O-N 3.01Å |
| 392 | S | 89.4 | Confident | 87.8 | Confident | 46 Ų | 46 | 55.5 Ų | 55.5 | 32% | 0.322 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.8 | -47.9 | 178.7 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | N388 V390 I394 G395 E396 | N388-S392 WeakPolarHBondContact O-CB 3.44Å; N388-S392 PolarHBondContact O-N 2.94Å; N388-S392 PolarHBondContact O-OG 3.1Å; V390-S392 VanDerWaalsContact C-N 3.3Å; V390-S392 PolarHBondContact O-N 3.36Å; S392-I394 PolarHBondContact O-N 3.47Å; S392-G395 PolarHBondContact O-N 3.43Å; S392-E396 WeakPolarHBondContact O-CG 3.42Å; S392-E396 PolarHBondContact O-N 3.21Å |
| 393 | L | 89.7 | Confident | 87.7 | Confident | 70 Ų | 70 | 55.2 Ų | 55.2 | 37% | 0.366 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.9 | -47.6 | 177.5 | 178.3 | 68 | 0 | 0 | 0 | 112.1 | P389 V390 E396 R397 | P389-L393 VanDerWaalsContact O-CB 3.25Å; P389-L393 WeakPolarHBondContact O-CB 3.32Å; P389-L393 PolarHBondContact O-N 2.9Å; V390-L393 PolarHBondContact O-N 3.28Å; L393-E396 PolarHBondContact O-N 2.76Å; L393-R397 VanDerWaalsContact O-CG 3.31Å; L393-R397 WeakPolarHBondContact O-CG 3.32Å; L393-R397 PolarHBondContact O-N 3.49Å; L393-R397 VanDerWaalsContact O-N 3.09Å |
| 394 | I | 89.9 | Confident | 87.6 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.6 | -45.3 | 177.3 | -66.4 | -58.4 | 0 | 0 | 0 | 110.1 | V296 A299 L303 V390 S392 E396 R397 V398 P420 L421 | V296-I394 HydrophobicContact CB-CG2 4.32Å; V296-I394 HydrophobicContact CG1-CB 4.35Å; V296-I394 HydrophobicContact CG1-CG2 3.96Å; V296-I394 HydrophobicContact CG2-CG2 4.38Å; A299-I394 HydrophobicContact CB-CG2 3.83Å; L303-I394 HydrophobicContact CD2-CD1 3.96Å; L303-I394 HydrophobicContact CD2-CG1 4.43Å; V390-I394 HydrophobicContact CG1-CG1 4.45Å; V390-I394 WeakPolarHBondContact O-CB 3.29Å; V390-I394 VanDerWaalsContact O-CG1 3.31Å; V390-I394 WeakPolarHBondContact O-CG1 3.44Å; V390-I394 PolarHBondContact O-N 2.64Å; S392-I394 PolarHBondContact O-N 3.47Å; I394-E396 VanDerWaalsContact C-N 3.35Å; I394-E396 PolarHBondContact O-N 3.45Å; I394-R397 PolarHBondContact O-N 3.42Å; I394-V398 HydrophobicContact CG2-CG2 4.3Å; I394-V398 VanDerWaalsContact O-CG2 3.3Å; I394-V398 WeakPolarHBondContact O-CG2 3.24Å; I394-V398 PolarHBondContact O-N 3.35Å; I394-P420 HydrophobicContact CD1-CG 3.68Å; I394-L421 HydrophobicContact CG2-CD2 4.12Å |
| 395 | G | 89.6 | Confident | 87.6 | Confident | 7 Ų | 7 | 55.6 Ų | 55.6 | 7% | 0.072 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.8 | -43.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R391 S392 V398 R399 | R391-G395 PolarHBondContact O-N 3.01Å; S392-G395 PolarHBondContact O-N 3.43Å; G395-V398 PolarHBondContact O-N 3.19Å; G395-R399 WeakPolarHBondContact O-CB 3.24Å; G395-R399 WeakPolarHBondContact O-CG 3.33Å; G395-R399 PolarHBondContact O-N 3.22Å |
| 396 | E | 88.3 | Confident | 87.5 | Confident | 118 Ų | 118 | 52.6 Ų | 52.6 | 55% | 0.551 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -62.3 | -45.8 | 175.4 | -75.9 | 176.8 | 179 | 0 | 0 | 112.5 | S392 L393 I394 V398 R399 G400 | S392-E396 WeakPolarHBondContact O-CG 3.42Å; S392-E396 PolarHBondContact O-N 3.21Å; L393-E396 PolarHBondContact O-N 2.76Å; I394-E396 VanDerWaalsContact C-N 3.35Å; I394-E396 PolarHBondContact O-N 3.45Å; E396-V398 VanDerWaalsContact C-N 3.34Å; E396-V398 PolarHBondContact O-N 3.38Å; E396-R399 PolarHBondContact O-N 2.69Å; E396-G400 PolarHBondContact O-N 3.38Å |
| 397 | R | 89.7 | Confident | 87.9 | Confident | 87 Ų | 87 | 52.2 Ų | 52.2 | 33% | 0.328 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 177.7 | -69.5 | 171.7 | -179.9 | -168.4 | 0.6 | 111.7 | L393 I394 G400 F401 F419 L421 | L393-R397 VanDerWaalsContact O-CG 3.31Å; L393-R397 WeakPolarHBondContact O-CG 3.32Å; L393-R397 PolarHBondContact O-N 3.49Å; L393-R397 VanDerWaalsContact O-N 3.09Å; I394-R397 PolarHBondContact O-N 3.42Å; R397-G400 PolarHBondContact O-N 2.72Å; R397-F401 PolarHBondContact O-N 3.44Å; R397-F419 PolarHBondContact NH1-O 3.33Å; R397-L421 HydrophobicContact CB-CD1 3.63Å |
| 398 | V | 90.1 | Very high | 87.2 | Confident | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.024 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.8 | -44.2 | 176.8 | 176.2 | 0 | 0 | 0 | 0 | 111 | L292 V296 I394 G395 E396 G400 F401 L402 L421 L428 | L292-V398 HydrophobicContact CD1-CB 4.47Å; L292-V398 HydrophobicContact CD1-CG1 3.33Å; V296-V398 HydrophobicContact CG2-CB 4.47Å; V296-V398 HydrophobicContact CG2-CG2 4.24Å; I394-V398 HydrophobicContact CG2-CG2 4.3Å; I394-V398 VanDerWaalsContact O-CG2 3.3Å; I394-V398 WeakPolarHBondContact O-CG2 3.24Å; I394-V398 PolarHBondContact O-N 3.35Å; G395-V398 PolarHBondContact O-N 3.19Å; E396-V398 VanDerWaalsContact C-N 3.34Å; E396-V398 PolarHBondContact O-N 3.38Å; V398-G400 VanDerWaalsContact C-N 3.31Å; V398-G400 PolarHBondContact O-N 2.84Å; V398-F401 WeakPolarHBondContact O-CB 3.41Å; V398-F401 PolarHBondContact O-N 3.19Å; V398-L402 HydrophobicContact CG1-CD1 4.14Å; V398-L402 HydrophobicContact CG1-CG 4.34Å; V398-L402 WeakPolarHBondContact O-CG 3.24Å; V398-L402 PolarHBondContact O-N 3.21Å; V398-L421 HydrophobicContact CG2-CD1 3.99Å; V398-L421 HydrophobicContact CG2-CD2 3.59Å; V398-L421 HydrophobicContact CG2-CG 4.47Å; V398-L428 HydrophobicContact CG1-CD1 3.58Å; V398-L428 HydrophobicContact CG1-CD2 4.42Å; V398-L428 HydrophobicContact CG2-CD2 4.35Å |
| 399 | R | 88.8 | Confident | 85.6 | Confident | 90 Ų | 90 | 47.6 Ų | 47.6 | 34% | 0.34 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59 | -42.5 | 174.2 | -76.4 | -171 | -63.2 | -91.4 | 4.3 | 111.8 | M262 G395 E396 L402 L403 | M262-R399 HydrophobicContact CE-CB 3.9Å; M262-R399 HydrophobicContact CE-CG 3.86Å; G395-R399 WeakPolarHBondContact O-CB 3.24Å; G395-R399 WeakPolarHBondContact O-CG 3.33Å; G395-R399 PolarHBondContact O-N 3.22Å; E396-R399 PolarHBondContact O-N 2.69Å; R399-L402 PolarHBondContact O-N 3.46Å; R399-L403 VanDerWaalsContact O-CB 3.29Å; R399-L403 WeakPolarHBondContact O-CB 3.18Å; R399-L403 PolarHBondContact O-N 3.41Å |
| 400 | G | 88.2 | Confident | 83.8 | Confident | 39 Ų | 39 | 49.7 Ų | 49.7 | 40% | 0.402 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.5 | -43.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E396 R397 V398 L403 A404 | E396-G400 PolarHBondContact O-N 3.38Å; R397-G400 PolarHBondContact O-N 2.72Å; V398-G400 VanDerWaalsContact C-N 3.31Å; V398-G400 PolarHBondContact O-N 2.84Å; G400-L403 PolarHBondContact O-N 3.34Å; G400-A404 WeakPolarHBondContact O-CB 3.35Å; G400-A404 PolarHBondContact O-N 3.19Å |
| 401 | F | 88.8 | Confident | 81.6 | Confident | 11 Ų | 11 | 53.3 Ų | 53.3 | 5% | 0.048 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.3 | -49.2 | 174.6 | 176.5 | -96 | 0 | 0 | 0 | 112.3 | R397 V398 L403 A404 M405 P415 L417 L428 | R397-F401 PolarHBondContact O-N 3.44Å; V398-F401 WeakPolarHBondContact O-CB 3.41Å; V398-F401 PolarHBondContact O-N 3.19Å; F401-L403 VanDerWaalsContact C-N 3.34Å; F401-L403 PolarHBondContact O-N 2.83Å; F401-A404 PolarHBondContact O-N 3.18Å; F401-M405 HydrophobicContact CD1-CG 4.18Å; F401-M405 HydrophobicContact CE1-CG 3.77Å; F401-M405 HydrophobicContact CE1-SD 4.45Å; F401-M405 HydrophobicContact CE2-CG 4.39Å; F401-M405 HydrophobicContact CZ-CG 3.9Å; F401-M405 HydrophobicContact CZ-SD 4.07Å; F401-M405 WeakPolarHBondContact O-CG 3.25Å; F401-M405 PolarHBondContact O-N 3.36Å; F401-P415 HydrophobicContact CD2-CB 3.9Å; F401-P415 HydrophobicContact CD2-CG 4Å; F401-P415 HydrophobicContact CE2-CB 4.16Å; F401-P415 HydrophobicContact CE2-CG 4.05Å; F401-L417 HydrophobicContact CB-CD2 4.12Å; F401-L417 HydrophobicContact CD1-CD2 4.45Å; F401-L417 HydrophobicContact CD2-CD1 4.46Å; F401-L417 HydrophobicContact CD2-CD2 3.29Å; F401-L417 HydrophobicContact CD2-CG 3.86Å; F401-L417 HydrophobicContact CE2-CD1 4.03Å; F401-L417 HydrophobicContact CE2-CD2 3.72Å; F401-L417 HydrophobicContact CE2-CG 3.8Å; F401-L417 HydrophobicContact CG-CD2 3.7Å; F401-L417 HydrophobicContact CZ-CD1 4.36Å; F401-L417 HydrophobicContact CZ-CD2 4.45Å; F401-L428 HydrophobicContact CB-CD2 4.49Å; F401-L428 HydrophobicContact CD1-CD1 4.04Å; F401-L428 HydrophobicContact CD1-CD2 3.66Å; F401-L428 HydrophobicContact CD1-CG 3.61Å; F401-L428 HydrophobicContact CE1-CD1 4.35Å; F401-L428 HydrophobicContact CE1-CD2 4.04Å; F401-L428 HydrophobicContact CE1-CG 3.64Å; F401-L428 HydrophobicContact CG-CD2 4.07Å; F401-L428 HydrophobicContact CG-CG 4.5Å |
| 402 | L | 90.1 | Very high | 79.8 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 178.9 | -67.4 | 176.9 | 0 | 0 | 0 | 111.9 | M262 L265 L292 V398 R399 M405 L406 L428 L431 | M262-L402 HydrophobicContact CE-CB 3.95Å; M262-L402 HydrophobicContact CE-CD1 4.34Å; M262-L402 HydrophobicContact SD-CB 4.1Å; L265-L402 HydrophobicContact CD1-CD1 3.72Å; L292-L402 HydrophobicContact CD1-CD1 4.08Å; L292-L402 HydrophobicContact CD2-CD1 4.29Å; V398-L402 HydrophobicContact CG1-CD1 4.14Å; V398-L402 HydrophobicContact CG1-CG 4.34Å; V398-L402 WeakPolarHBondContact O-CG 3.24Å; V398-L402 PolarHBondContact O-N 3.21Å; R399-L402 PolarHBondContact O-N 3.46Å; L402-M405 WeakPolarHBondContact O-CB 3.42Å; L402-M405 PolarHBondContact O-N 3.03Å; L402-L406 WeakPolarHBondContact O-CG 3.37Å; L402-L406 PolarHBondContact O-N 3.33Å; L402-L428 HydrophobicContact CD2-CD1 4.19Å; L402-L431 HydrophobicContact CD1-CD2 4.08Å; L402-L431 HydrophobicContact CD2-CD2 3.87Å |
| 403 | L | 88.5 | Confident | 78 | Confident | 56 Ų | 56 | 67.9 Ų | 67.9 | 29% | 0.293 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63 | -43.6 | 174.9 | -178.5 | 62.4 | 0 | 0 | 0 | 111.5 | N258 R399 G400 F401 M405 L406 Q407 | N258-L403 HydrophobicContact CB-CD1 3.66Å; R399-L403 VanDerWaalsContact O-CB 3.29Å; R399-L403 WeakPolarHBondContact O-CB 3.18Å; R399-L403 PolarHBondContact O-N 3.41Å; G400-L403 PolarHBondContact O-N 3.34Å; F401-L403 VanDerWaalsContact C-N 3.34Å; F401-L403 PolarHBondContact O-N 2.83Å; L403-M405 VanDerWaalsContact C-N 3.29Å; L403-M405 PolarHBondContact O-N 3.28Å; L403-L406 PolarHBondContact O-N 3.14Å; L403-L406 VanDerWaalsContact O-N 3.15Å; L403-Q407 WeakPolarHBondContact O-CG 3.33Å; L403-Q407 PolarHBondContact O-N 3.06Å |
| 404 | A | 86.3 | Confident | 76.6 | Confident | 34 Ų | 34 | 73.9 Ų | 73.9 | 28% | 0.281 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.9 | -36.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G400 F401 Q407 G408 P415 | G400-A404 WeakPolarHBondContact O-CB 3.35Å; G400-A404 PolarHBondContact O-N 3.19Å; F401-A404 PolarHBondContact O-N 3.18Å; A404-Q407 PolarHBondContact O-N 3Å; A404-G408 PolarHBondContact O-N 3.21Å; A404-P415 HydrophobicContact CB-CB 4.28Å; A404-P415 HydrophobicContact CB-CG 3.62Å |
| 405 | M | 85.4 | Confident | 75.5 | Confident | 51 Ų | 51 | 75.8 Ų | 75.8 | 25% | 0.251 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65 | -35.9 | 172.7 | -72.2 | -73 | -66.7 | 0 | 0 | 112.6 | F401 L402 L403 T433 | F401-M405 HydrophobicContact CD1-CG 4.18Å; F401-M405 HydrophobicContact CE1-CG 3.77Å; F401-M405 HydrophobicContact CE1-SD 4.45Å; F401-M405 HydrophobicContact CE2-CG 4.39Å; F401-M405 HydrophobicContact CZ-CG 3.9Å; F401-M405 HydrophobicContact CZ-SD 4.07Å; F401-M405 WeakPolarHBondContact O-CG 3.25Å; F401-M405 PolarHBondContact O-N 3.36Å; L402-M405 WeakPolarHBondContact O-CB 3.42Å; L402-M405 PolarHBondContact O-N 3.03Å; L403-M405 VanDerWaalsContact C-N 3.29Å; L403-M405 PolarHBondContact O-N 3.28Å; M405-T433 HydrophobicContact CE-CG2 4.25Å |
| 406 | L | 85.3 | Confident | 74.6 | Confident | 26 Ų | 26 | 84 Ų | 84 | 14% | 0.136 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -71.9 | -32.3 | 174.5 | -71 | -175.4 | 0 | 0 | 0 | 113.2 | M262 L402 L403 F435 V439 | M262-L406 HydrophobicContact SD-CD1 4.24Å; L402-L406 WeakPolarHBondContact O-CG 3.37Å; L402-L406 PolarHBondContact O-N 3.33Å; L403-L406 PolarHBondContact O-N 3.14Å; L403-L406 VanDerWaalsContact O-N 3.15Å; L406-F435 HydrophobicContact CD1-CD1 4.45Å; L406-F435 HydrophobicContact CD1-CE1 3.7Å; L406-F435 HydrophobicContact CD1-CZ 4.41Å; L406-F435 HydrophobicContact CD2-CD1 4.22Å; L406-F435 HydrophobicContact CD2-CE1 4.21Å; L406-F435 HydrophobicContact CG-CD1 4.47Å; L406-F435 HydrophobicContact CG-CE1 4.19Å; L406-V439 HydrophobicContact CD2-CB 3.94Å; L406-V439 HydrophobicContact CD2-CG1 3.91Å; L406-V439 HydrophobicContact CD2-CG2 4.07Å |
| 407 | Q | 82.2 | Confident | 74 | Confident | 115 Ų | 115 | 80.2 Ų | 80.2 | 54% | 0.537 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -82.3 | -28.7 | 178.1 | -68.6 | 174.6 | -1 | 0 | 0 | 112.6 | L403 A404 G409 | L403-Q407 WeakPolarHBondContact O-CG 3.33Å; L403-Q407 PolarHBondContact O-N 3.06Å; A404-Q407 PolarHBondContact O-N 3Å; Q407-G409 PolarHBondContact O-N 3.12Å |
| 408 | G | 66 | Low | 73.5 | Confident | 22 Ų | 22 | 79 Ų | 79 | 23% | 0.227 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -80.3 | 109.1 | 174 | 0 | 0 | 0 | 0 | 0 | 110.5 | A404 | A404-G408 PolarHBondContact O-N 3.21Š|
| 409 | G | 54.7 | Low | 72.8 | Confident | 51 Ų | 51 | 83.8 Ų | 83.8 | 53% | 0.526 | 45% | 0.448 | S | S | . | . | trans | -55.4 | 157.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q407 A411 K412 | Q407-G409 PolarHBondContact O-N 3.12Å; G409-A411 PolarHBondContact O-N 3.48Å; G409-K412 PolarHBondContact O-N 3.24Å | ||
| 410 | S | 52.2 | Low | 72.4 | Confident | 144 Ų | 144 | 79.5 Ų | 79.5 | 100% | 1.007 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.3 | -9.4 | -177.2 | -176.5 | 0 | 0 | 0 | 0 | 116.7 | ||
| 411 | A | 42.6 | Very low | 72.1 | Confident | 106 Ų | 106 | 77.7 Ų | 77.7 | 88% | 0.876 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | -3.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | G409 | G409-A411 PolarHBondContact O-N 3.48Š|
| 412 | K | 49.3 | Very low | 71.7 | Confident | 157 Ų | 157 | 78.9 Ų | 78.9 | 68% | 0.683 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -88.2 | 138.3 | 177.6 | -77.4 | -175.4 | 179.1 | 176.2 | 0 | 111.2 | G409 R414 | G409-K412 PolarHBondContact O-N 3.24Å; K412-R414 PolarHBondContact O-N 3.18Å |
| 413 | R | 52.3 | Low | 71.5 | Confident | 236 Ų | 236 | 81.2 Ų | 81.2 | 89% | 0.891 | 44% | 0.44 | S | S | * | . | trans | -39.8 | 123.4 | 176.6 | -136.1 | 178.5 | -170.4 | -175.4 | 0.9 | 109.8 | ||||
| 414 | R | 60.6 | Low | 71.4 | Confident | 196 Ų | 196 | 78.6 Ų | 78.6 | 74% | 0.74 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -51.3 | 131.5 | 176.2 | -66.5 | 179.9 | -176.1 | 178.8 | 0.1 | 108.4 | K412 E416 | K412-R414 PolarHBondContact O-N 3.18Å; R414-E416 PolarHBondContact O-N 2.84Å |
| 415 | P | 65.9 | Low | 71.4 | Confident | 41 Ų | 41 | 79.1 Ų | 79.1 | 27% | 0.266 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 134.8 | 178.5 | -17.2 | 27.4 | 0 | 0 | 0 | 109.5 | F401 A404 L417 | F401-P415 HydrophobicContact CD2-CB 3.9Å; F401-P415 HydrophobicContact CD2-CG 4Å; F401-P415 HydrophobicContact CE2-CB 4.16Å; F401-P415 HydrophobicContact CE2-CG 4.05Å; A404-P415 HydrophobicContact CB-CB 4.28Å; A404-P415 HydrophobicContact CB-CG 3.62Å; P415-L417 PolarHBondContact O-N 3.2Å |
| 416 | E | 70.6 | Confident | 71.6 | Confident | 180 Ų | 180 | 79.5 Ų | 79.5 | 84% | 0.841 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 128.5 | 174.7 | -70.1 | -178 | -179.9 | 0 | 0 | 109.3 | R414 P418 | R414-E416 PolarHBondContact O-N 2.84Å; E416-P418 WeakPolarHBondContact O-CD 3.49Å |
| 417 | L | 77 | Confident | 71.8 | Confident | 38 Ų | 38 | 81 Ų | 81 | 20% | 0.199 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -91.7 | 116.3 | -178.3 | -78.5 | 167.7 | 0 | 0 | 0 | 109.8 | F401 P415 L421 S425 L428 | F401-L417 HydrophobicContact CB-CD2 4.12Å; F401-L417 HydrophobicContact CD1-CD2 4.45Å; F401-L417 HydrophobicContact CD2-CD1 4.46Å; F401-L417 HydrophobicContact CD2-CD2 3.29Å; F401-L417 HydrophobicContact CD2-CG 3.86Å; F401-L417 HydrophobicContact CE2-CD1 4.03Å; F401-L417 HydrophobicContact CE2-CD2 3.72Å; F401-L417 HydrophobicContact CE2-CG 3.8Å; F401-L417 HydrophobicContact CG-CD2 3.7Å; F401-L417 HydrophobicContact CZ-CD1 4.36Å; F401-L417 HydrophobicContact CZ-CD2 4.45Å; P415-L417 PolarHBondContact O-N 3.2Å; L417-L421 HydrophobicContact CB-CB 4.19Å; L417-L421 HydrophobicContact CD2-CB 3.87Å; L417-L421 HydrophobicContact CD2-CD1 4.1Å; L417-S425 VanDerWaalsContact CD1-CB 3.49Å; L417-L428 HydrophobicContact CD1-CD2 4.47Å; L417-L428 HydrophobicContact CD2-CD2 3.8Å |
| 418 | P | 79.1 | Confident | 72.2 | Confident | 62 Ų | 62 | 75.6 Ų | 75.6 | 40% | 0.403 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 152.8 | 175.5 | 28.4 | -34.1 | 0 | 0 | 0 | 110.7 | E416 L421 | E416-P418 WeakPolarHBondContact O-CD 3.49Å; P418-L421 WeakPolarHBondContact O-CB 3.42Å; P418-L421 PolarHBondContact O-N 3.08Å |
| 419 | F | 75.7 | Confident | 73.4 | Confident | 103 Ų | 103 | 76 Ų | 76 | 45% | 0.452 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 135.6 | 171.1 | -175.1 | -91.5 | 0 | 0 | 0 | 110.8 | L303 A306 F314 R397 L423 | L303-F419 HydrophobicContact CD1-CD1 4.04Å; L303-F419 HydrophobicContact CD1-CE1 3.75Å; A306-F419 HydrophobicContact CB-CE1 3.86Å; A306-F419 HydrophobicContact CB-CZ 3.48Å; A306-F419 VanDerWaalsContact CB-CZ 3.48Å; F314-F419 AromaticContact CE1-CE2 3.99Å; F314-F419 HydrophobicContact CE1-CE2 3.99Å; F314-F419 HydrophobicContact CE1-CZ 4.06Å; F314-F419 HydrophobicContact CZ-CZ 4.36Å; R397-F419 PolarHBondContact NH1-O 3.33Å; F419-L423 HydrophobicContact CE2-CD1 3.91Å; F419-L423 HydrophobicContact CE2-CG 4.38Å; F419-L423 HydrophobicContact CZ-CD1 4.37Å |
| 420 | P | 79.3 | Confident | 75.2 | Confident | 0 Ų | 0 | 79.9 Ų | 79.9 | 0% | 0 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -90.4 | -0.3 | 6.7 | 41.7 | -44.5 | 0 | 0 | 0 | 114.6 | A299 L303 I394 G422 L423 | A299-P420 HydrophobicContact CB-CG 4.23Å; A299-P420 WeakPolarHBondContact O-CG 3.43Å; L303-P420 HydrophobicContact CB-CB 4.28Å; L303-P420 HydrophobicContact CB-CG 3.93Å; I394-P420 HydrophobicContact CD1-CG 3.68Å; P420-G422 PolarHBondContact O-N 3.05Å; P420-G422 VanDerWaalsContact O-N 3.11Å; P420-L423 HydrophobicContact CB-CD1 4.37Å; P420-L423 VanDerWaalsContact O-CB 3.28Å; P420-L423 WeakPolarHBondContact O-CB 3.33Å; P420-L423 WeakPolarHBondContact O-CG 3.29Å; P420-L423 PolarHBondContact O-N 3.32Å |
| 421 | L | 81.6 | Confident | 77.1 | Confident | 1 Ų | 1 | 73.2 Ų | 73.2 | 1% | 0.005 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -63.8 | -23.2 | -168.5 | -62.8 | 179.3 | 0 | 0 | 0 | 113.4 | A299 I394 R397 V398 L417 P418 L423 V424 S425 | A299-L421 HydrophobicContact CB-CD2 3.96Å; I394-L421 HydrophobicContact CG2-CD2 4.12Å; R397-L421 HydrophobicContact CB-CD1 3.63Å; V398-L421 HydrophobicContact CG2-CD1 3.99Å; V398-L421 HydrophobicContact CG2-CD2 3.59Å; V398-L421 HydrophobicContact CG2-CG 4.47Å; L417-L421 HydrophobicContact CB-CB 4.19Å; L417-L421 HydrophobicContact CD2-CB 3.87Å; L417-L421 HydrophobicContact CD2-CD1 4.1Å; P418-L421 WeakPolarHBondContact O-CB 3.42Å; P418-L421 PolarHBondContact O-N 3.08Å; L421-L423 PolarHBondContact O-N 3.39Å; L421-V424 HydrophobicContact CD2-CG2 4.29Å; L421-V424 CarbonylContact O-C 3.56Å; L421-V424 WeakPolarHBondContact O-CG2 3.22Å; L421-V424 PolarHBondContact O-N 3.46Å; L421-V424 VanDerWaalsContact O-N 3.13Å; L421-S425 PolarHBondContact O-N 3.22Å; L421-S425 VanDerWaalsContact O-N 3.15Å |
| 422 | G | 82.3 | Confident | 79.5 | Confident | 36 Ų | 36 | 68.3 Ų | 68.3 | 37% | 0.371 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -54.9 | -30 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | P420 V424 S425 | P420-G422 PolarHBondContact O-N 3.05Å; P420-G422 VanDerWaalsContact O-N 3.11Å; G422-V424 VanDerWaalsContact C-N 3.33Å; G422-V424 PolarHBondContact O-N 3.08Å; G422-S425 VanDerWaalsContact O-CB 3.3Å; G422-S425 WeakPolarHBondContact O-CB 3.42Å; G422-S425 PolarHBondContact O-N 3.04Å; G422-S425 PolarHBondContact O-OG 2.7Å |
| 423 | L | 84.3 | Confident | 81.4 | Confident | 50 Ų | 50 | 63.5 Ų | 63.5 | 26% | 0.262 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -74.7 | -21.8 | -179.6 | -54.5 | 177.5 | 0 | 0 | 0 | 113.5 | L302 F314 V320 K324 F419 P420 L421 | L302-L423 HydrophobicContact CB-CD1 4.35Å; L302-L423 HydrophobicContact CD1-CB 4.14Å; L302-L423 HydrophobicContact CD1-CD1 4.24Å; F314-L423 HydrophobicContact CE1-CD1 3.66Å; F314-L423 HydrophobicContact CZ-CD1 3.47Å; F314-L423 VanDerWaalsContact CZ-CD1 3.47Å; V320-L423 HydrophobicContact CG1-CB 4.5Å; V320-L423 HydrophobicContact CG1-CD1 4.16Å; V320-L423 HydrophobicContact CG1-CD2 4.22Å; K324-L423 PolarHBondContact NZ-O 2.98Å; F419-L423 HydrophobicContact CE2-CD1 3.91Å; F419-L423 HydrophobicContact CE2-CG 4.38Å; F419-L423 HydrophobicContact CZ-CD1 4.37Å; P420-L423 HydrophobicContact CB-CD1 4.37Å; P420-L423 VanDerWaalsContact O-CB 3.28Å; P420-L423 WeakPolarHBondContact O-CB 3.33Å; P420-L423 WeakPolarHBondContact O-CG 3.29Å; P420-L423 PolarHBondContact O-N 3.32Å; L421-L423 PolarHBondContact O-N 3.39Å |
| 424 | V | 86.6 | Confident | 83.3 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.012 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -116.6 | 25 | 177.4 | -64.9 | 0 | 0 | 0 | 0 | 111.1 | E298 A299 L302 L421 G422 S426 E427 L428 | E298-V424 HydrophobicContact CG-CG1 4.31Å; A299-V424 HydrophobicContact CB-CG2 4.17Å; L302-V424 HydrophobicContact CD1-CG1 4Å; L421-V424 HydrophobicContact CD2-CG2 4.29Å; L421-V424 CarbonylContact O-C 3.56Å; L421-V424 WeakPolarHBondContact O-CG2 3.22Å; L421-V424 PolarHBondContact O-N 3.46Å; L421-V424 VanDerWaalsContact O-N 3.13Å; G422-V424 VanDerWaalsContact C-N 3.33Å; G422-V424 PolarHBondContact O-N 3.08Å; V424-S426 PolarHBondContact O-N 3.16Å; V424-E427 VanDerWaalsContact C-OE2 3.31Å; V424-E427 WeakPolarHBondContact CA-OE2 3.27Å; V424-L428 VanDerWaalsContact O-CB 3.26Å; V424-L428 WeakPolarHBondContact O-CB 3.31Å; V424-L428 PolarHBondContact O-N 3.15Å |
| 425 | S | 86.9 | Confident | 84.9 | Confident | 45 Ų | 45 | 44.7 Ų | 44.7 | 32% | 0.315 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -68 | -34.4 | -171.5 | 55 | 0 | 0 | 0 | 0 | 113.2 | L417 L421 G422 T429 | L417-S425 VanDerWaalsContact CD1-CB 3.49Å; L421-S425 PolarHBondContact O-N 3.22Å; L421-S425 VanDerWaalsContact O-N 3.15Å; G422-S425 VanDerWaalsContact O-CB 3.3Å; G422-S425 WeakPolarHBondContact O-CB 3.42Å; G422-S425 PolarHBondContact O-N 3.04Å; G422-S425 PolarHBondContact O-OG 2.7Å; S425-T429 VanDerWaalsContact O-CB 3.22Å; S425-T429 WeakPolarHBondContact O-CB 3.32Å; S425-T429 PolarHBondContact O-N 3.44Å; S425-T429 PolarHBondContact O-OG1 3.42Å |
| 426 | S | 88.7 | Confident | 86.1 | Confident | 59 Ų | 59 | 43.7 Ų | 43.7 | 41% | 0.413 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.9 | -56 | 174.6 | 27.1 | 0 | 0 | 0 | 0 | 111.3 | V424 L428 T429 E430 | V424-S426 PolarHBondContact O-N 3.16Å; S426-L428 VanDerWaalsContact C-N 3.35Å; S426-L428 PolarHBondContact O-N 3.02Å; S426-T429 PolarHBondContact O-N 2.96Å; S426-T429 VanDerWaalsContact O-N 3.16Å; S426-E430 WeakPolarHBondContact O-CG 3.22Å; S426-E430 PolarHBondContact O-N 3.06Å |
| 427 | E | 91.1 | Very high | 87.1 | Confident | 56 Ų | 56 | 44 Ų | 44 | 26% | 0.262 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.2 | -40.9 | -175.8 | -60 | 85.4 | 164 | 0 | 0 | 110.7 | L295 K324 V424 E430 L431 | L295-E427 HydrophobicContact CD1-CB 4.13Å; L295-E427 HydrophobicContact CD2-CB 3.61Å; L295-E427 HydrophobicContact CD2-CG 4.26Å; K324-E427 IonicContact NZ-OE1 2.87Å; K324-E427 PolarHBondContact NZ-OE1 2.86Å; K324-E427 IonicContact NZ-OE2 2.77Å; K324-E427 PolarHBondContact NZ-OE2 3.44Å; V424-E427 VanDerWaalsContact C-OE2 3.31Å; V424-E427 WeakPolarHBondContact CA-OE2 3.27Å; E427-E430 PolarHBondContact O-N 3.38Å; E427-L431 WeakPolarHBondContact O-CB 3.44Å; E427-L431 PolarHBondContact O-N 2.92Å |
| 428 | L | 90.6 | Very high | 87.9 | Confident | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.5 | -34.8 | 176.5 | -179.1 | 57.3 | 0 | 0 | 0 | 112.4 | V398 F401 L402 L417 V424 S426 G432 | V398-L428 HydrophobicContact CG1-CD1 3.58Å; V398-L428 HydrophobicContact CG1-CD2 4.42Å; V398-L428 HydrophobicContact CG2-CD2 4.35Å; F401-L428 HydrophobicContact CB-CD2 4.49Å; F401-L428 HydrophobicContact CD1-CD1 4.04Å; F401-L428 HydrophobicContact CD1-CD2 3.66Å; F401-L428 HydrophobicContact CD1-CG 3.61Å; F401-L428 HydrophobicContact CE1-CD1 4.35Å; F401-L428 HydrophobicContact CE1-CD2 4.04Å; F401-L428 HydrophobicContact CE1-CG 3.64Å; F401-L428 HydrophobicContact CG-CD2 4.07Å; F401-L428 HydrophobicContact CG-CG 4.5Å; L402-L428 HydrophobicContact CD2-CD1 4.19Å; L417-L428 HydrophobicContact CD1-CD2 4.47Å; L417-L428 HydrophobicContact CD2-CD2 3.8Å; V424-L428 VanDerWaalsContact O-CB 3.26Å; V424-L428 WeakPolarHBondContact O-CB 3.31Å; V424-L428 PolarHBondContact O-N 3.15Å; S426-L428 VanDerWaalsContact C-N 3.35Å; S426-L428 PolarHBondContact O-N 3.02Å; L428-G432 PolarHBondContact O-N 3.14Å |
| 429 | T | 90.1 | Very high | 88.5 | Confident | 31 Ų | 31 | 39.9 Ų | 39.9 | 19% | 0.19 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.9 | -44.4 | 174.2 | -60.6 | 0 | 0 | 0 | 0 | 110.5 | S425 S426 G432 T433 | S425-T429 VanDerWaalsContact O-CB 3.22Å; S425-T429 WeakPolarHBondContact O-CB 3.32Å; S425-T429 PolarHBondContact O-N 3.44Å; S425-T429 PolarHBondContact O-OG1 3.42Å; S426-T429 PolarHBondContact O-N 2.96Å; S426-T429 VanDerWaalsContact O-N 3.16Å; T429-G432 PolarHBondContact O-N 3.07Å; T429-T433 HydrophobicContact CG2-CG2 4.27Å; T429-T433 VanDerWaalsContact O-CG2 3.25Å; T429-T433 WeakPolarHBondContact O-CG2 3.46Å; T429-T433 PolarHBondContact O-N 3.42Å; T429-T433 PolarHBondContact O-OG1 2.96Å |
| 430 | E | 91.8 | Very high | 89.3 | Confident | 131 Ų | 131 | 41.2 Ų | 41.2 | 61% | 0.612 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -57.9 | -50.9 | 175.8 | -73.9 | 172.5 | -168.8 | 0 | 0 | 111 | S426 E427 G432 T433 A434 | S426-E430 WeakPolarHBondContact O-CG 3.22Å; S426-E430 PolarHBondContact O-N 3.06Å; E427-E430 PolarHBondContact O-N 3.38Å; E430-G432 PolarHBondContact O-N 2.82Å; E430-T433 PolarHBondContact O-N 2.97Å; E430-T433 PolarHBondContact O-OG1 2.96Å; E430-A434 WeakPolarHBondContact O-CB 3.28Å; E430-A434 PolarHBondContact O-N 3.41Å |
| 431 | L | 93.3 | Very high | 89.9 | Confident | 5 Ų | 5 | 42.7 Ų | 42.7 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.2 | -47.5 | 175.6 | -172.5 | 153.3 | 0 | 0 | 0 | 111.8 | L288 Q291 L292 L295 L402 E427 T433 A434 F435 | L288-L431 HydrophobicContact CD2-CG 4.08Å; Q291-L431 HydrophobicContact CB-CD1 3.9Å; L292-L431 HydrophobicContact CB-CD1 3.87Å; L295-L431 HydrophobicContact CD1-CD1 3.9Å; L402-L431 HydrophobicContact CD1-CD2 4.08Å; L402-L431 HydrophobicContact CD2-CD2 3.87Å; E427-L431 WeakPolarHBondContact O-CB 3.44Å; E427-L431 PolarHBondContact O-N 2.92Å; L431-T433 VanDerWaalsContact C-N 3.34Å; L431-T433 PolarHBondContact O-N 3.23Å; L431-A434 PolarHBondContact O-N 3.07Å; L431-F435 WeakPolarHBondContact O-CB 3.47Å; L431-F435 PolarHBondContact O-N 3.49Å |
| 432 | G | 91.8 | Very high | 90.5 | Very high | 3 Ų | 3 | 42.7 Ų | 42.7 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.7 | -38 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L428 T429 E430 G436 | L428-G432 PolarHBondContact O-N 3.14Å; T429-G432 PolarHBondContact O-N 3.07Å; E430-G432 PolarHBondContact O-N 2.82Å; G432-G436 PolarHBondContact O-N 2.95Å |
| 433 | T | 90.6 | Very high | 91 | Very high | 55 Ų | 55 | 43.6 Ų | 43.6 | 34% | 0.337 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -69.9 | -41.3 | 175.5 | 61 | 0 | 0 | 0 | 0 | 112.2 | M405 T429 E430 L431 G436 R437 | M405-T433 HydrophobicContact CE-CG2 4.25Å; T429-T433 HydrophobicContact CG2-CG2 4.27Å; T429-T433 VanDerWaalsContact O-CG2 3.25Å; T429-T433 WeakPolarHBondContact O-CG2 3.46Å; T429-T433 PolarHBondContact O-N 3.42Å; T429-T433 PolarHBondContact O-OG1 2.96Å; E430-T433 PolarHBondContact O-N 2.97Å; E430-T433 PolarHBondContact O-OG1 2.96Å; L431-T433 VanDerWaalsContact C-N 3.34Å; L431-T433 PolarHBondContact O-N 3.23Å; T433-G436 PolarHBondContact O-N 2.87Å; T433-R437 VanDerWaalsContact O-CG 3.3Å; T433-R437 WeakPolarHBondContact O-CG 3.22Å; T433-R437 PolarHBondContact O-N 3.33Å |
| 434 | A | 92.1 | Very high | 91.4 | Very high | 36 Ų | 36 | 43.9 Ų | 43.9 | 30% | 0.298 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.7 | -48.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111 | L288 E430 L431 G436 R437 I438 | L288-A434 HydrophobicContact CD2-CB 3.92Å; E430-A434 WeakPolarHBondContact O-CB 3.28Å; E430-A434 PolarHBondContact O-N 3.41Å; L431-A434 PolarHBondContact O-N 3.07Å; A434-G436 PolarHBondContact O-N 3.16Å; A434-R437 PolarHBondContact O-N 3.42Å; A434-I438 PolarHBondContact O-N 3.43Å |
| 435 | F | 93.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 0% | 0.004 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.1 | -45.7 | 174.9 | -178.6 | -123.5 | 0 | 0 | 0 | 111.9 | Y261 M262 L265 L285 L288 L406 L431 R437 I438 V439 | Y261-F435 WeakPolarHBondContact O-CZ 3.39Å; M262-F435 HydrophobicContact SD-CE1 3.87Å; M262-F435 HydrophobicContact SD-CZ 4.43Å; L265-F435 HydrophobicContact CD1-CD1 3.98Å; L265-F435 HydrophobicContact CD1-CD2 4.32Å; L265-F435 HydrophobicContact CD1-CE1 3.68Å; L265-F435 HydrophobicContact CD1-CE2 4.08Å; L265-F435 HydrophobicContact CD1-CG 4.28Å; L265-F435 HydrophobicContact CD1-CZ 3.75Å; L265-F435 HydrophobicContact CD2-CD2 3.81Å; L265-F435 HydrophobicContact CD2-CE2 3.87Å; L265-F435 HydrophobicContact CD2-CG 4.3Å; L265-F435 HydrophobicContact CD2-CZ 4.39Å; L265-F435 HydrophobicContact CG-CD2 4.18Å; L265-F435 HydrophobicContact CG-CE1 4.3Å; L265-F435 HydrophobicContact CG-CE2 3.79Å; L265-F435 HydrophobicContact CG-CZ 3.85Å; L285-F435 HydrophobicContact CD2-CD2 3.87Å; L285-F435 HydrophobicContact CD2-CE2 3.84Å; L288-F435 HydrophobicContact CD1-CB 4.18Å; L288-F435 HydrophobicContact CD1-CD2 4.48Å; L406-F435 HydrophobicContact CD1-CD1 4.45Å; L406-F435 HydrophobicContact CD1-CE1 3.7Å; L406-F435 HydrophobicContact CD1-CZ 4.41Å; L406-F435 HydrophobicContact CD2-CD1 4.22Å; L406-F435 HydrophobicContact CD2-CE1 4.21Å; L406-F435 HydrophobicContact CG-CD1 4.47Å; L406-F435 HydrophobicContact CG-CE1 4.19Å; L431-F435 WeakPolarHBondContact O-CB 3.47Å; L431-F435 PolarHBondContact O-N 3.49Å; F435-R437 VanDerWaalsContact C-N 3.32Å; F435-R437 PolarHBondContact O-N 3.02Å; F435-I438 PolarHBondContact O-N 3.49Å; F435-V439 HydrophobicContact CD1-CG2 4.36Å; F435-V439 HydrophobicContact CD2-CG2 4.01Å; F435-V439 HydrophobicContact CE1-CG2 4.07Å; F435-V439 HydrophobicContact CE2-CG2 3.66Å; F435-V439 HydrophobicContact CG-CG2 4.34Å; F435-V439 HydrophobicContact CZ-CG2 3.7Å; F435-V439 VanDerWaalsContact O-CG2 3.3Å; F435-V439 WeakPolarHBondContact O-CG2 3.16Å; F435-V439 PolarHBondContact O-N 2.86Å |
| 436 | G | 92.1 | Very high | 92.1 | Very high | 21 Ų | 21 | 41.8 Ų | 41.8 | 22% | 0.216 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.6 | -37.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | G432 T433 A434 H440 | G432-G436 PolarHBondContact O-N 2.95Å; T433-G436 PolarHBondContact O-N 2.87Å; A434-G436 PolarHBondContact O-N 3.16Å; G436-H440 WeakPolarHBondContact O-CB 3.18Å; G436-H440 PolarHBondContact O-N 3.31Å |
| 437 | R | 90.9 | Very high | 92.3 | Very high | 186 Ų | 186 | 40.1 Ų | 40.1 | 70% | 0.702 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -62.5 | -47.9 | 175.3 | -73.6 | 173.2 | -166.6 | 177.9 | 6.4 | 111.7 | T433 A434 F435 H440 F441 | T433-R437 VanDerWaalsContact O-CG 3.3Å; T433-R437 WeakPolarHBondContact O-CG 3.22Å; T433-R437 PolarHBondContact O-N 3.33Å; A434-R437 PolarHBondContact O-N 3.42Å; F435-R437 VanDerWaalsContact C-N 3.32Å; F435-R437 PolarHBondContact O-N 3.02Å; R437-H440 PolarHBondContact O-N 3.38Å; R437-F441 WeakPolarHBondContact O-CB 3.44Å; R437-F441 PolarHBondContact O-N 2.89Å |
| 438 | I | 92.8 | Very high | 92.4 | Very high | 10 Ų | 10 | 40.5 Ų | 40.5 | 5% | 0.051 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.8 | -52.7 | 177.3 | -64.7 | 169.4 | 0 | 0 | 0 | 109.7 | D281 R284 L285 L288 A434 F435 H440 F441 N442 | D281-I438 HydrophobicContact CB-CG2 3.94Å; R284-I438 HydrophobicContact CB-CD1 3.98Å; L285-I438 HydrophobicContact CD2-CD1 4.34Å; L285-I438 HydrophobicContact CD2-CG2 4.25Å; L285-I438 HydrophobicContact CG-CG2 4.47Å; L288-I438 HydrophobicContact CD1-CD1 3.67Å; A434-I438 PolarHBondContact O-N 3.43Å; F435-I438 PolarHBondContact O-N 3.49Å; I438-H440 PolarHBondContact O-N 2.7Å; I438-F441 PolarHBondContact O-N 2.92Å; I438-N442 WeakPolarHBondContact O-CB 3.36Å; I438-N442 PolarHBondContact O-N 3.44Å |
| 439 | V | 93.3 | Very high | 92.5 | Very high | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.018 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.2 | -45.4 | -178.8 | 173.1 | 0 | 0 | 0 | 0 | 111.4 | Y261 L406 F435 R443 | Y261-V439 HydrophobicContact CD1-CB 4.07Å; Y261-V439 HydrophobicContact CD1-CG1 3.75Å; Y261-V439 HydrophobicContact CD1-CG2 3.56Å; Y261-V439 HydrophobicContact CD2-CG1 3.81Å; Y261-V439 HydrophobicContact CE1-CB 4.24Å; Y261-V439 HydrophobicContact CE1-CG1 3.83Å; Y261-V439 HydrophobicContact CE1-CG2 4.19Å; Y261-V439 HydrophobicContact CE2-CG1 4.05Å; Y261-V439 HydrophobicContact CG-CB 4.41Å; Y261-V439 HydrophobicContact CG-CG1 3.74Å; Y261-V439 HydrophobicContact CG-CG2 3.9Å; L406-V439 HydrophobicContact CD2-CB 3.94Å; L406-V439 HydrophobicContact CD2-CG1 3.91Å; L406-V439 HydrophobicContact CD2-CG2 4.07Å; F435-V439 HydrophobicContact CD1-CG2 4.36Å; F435-V439 HydrophobicContact CD2-CG2 4.01Å; F435-V439 HydrophobicContact CE1-CG2 4.07Å; F435-V439 HydrophobicContact CE2-CG2 3.66Å; F435-V439 HydrophobicContact CG-CG2 4.34Å; F435-V439 HydrophobicContact CZ-CG2 3.7Å; F435-V439 VanDerWaalsContact O-CG2 3.3Å; F435-V439 WeakPolarHBondContact O-CG2 3.16Å; F435-V439 PolarHBondContact O-N 2.86Å; V439-R443 HydrophobicContact CG1-CG 4.4Å; V439-R443 WeakPolarHBondContact O-CB 3.38Å; V439-R443 VanDerWaalsContact O-CG 3.23Å; V439-R443 WeakPolarHBondContact O-CG 3.36Å; V439-R443 PolarHBondContact O-N 3.44Å |
| 440 | H | 91.4 | Very high | 92.7 | Very high | 132 Ų | 132 | 40 Ų | 40 | 61% | 0.611 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -66.4 | -44.9 | -178 | -177.9 | 70 | 0 | 0 | 0 | 112.3 | G436 R437 I438 R443 T444 | G436-H440 WeakPolarHBondContact O-CB 3.18Å; G436-H440 PolarHBondContact O-N 3.31Å; R437-H440 PolarHBondContact O-N 3.38Å; I438-H440 PolarHBondContact O-N 2.7Å; H440-R443 PolarHBondContact O-N 2.98Å; H440-T444 WeakPolarHBondContact O-CB 3.38Å; H440-T444 PolarHBondContact O-N 3.28Å; H440-T444 PolarHBondContact O-OG1 3.08Å |
| 441 | F | 92.3 | Very high | 92.6 | Very high | 31 Ų | 31 | 35.1 Ų | 35.1 | 14% | 0.136 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63 | -49.7 | 177.5 | -175.3 | -101.9 | 0 | 0 | 0 | 110.7 | H37 V40 V41 A199 V200 E203 R437 I438 R443 T444 V445 | H37-F441 AromaticContact CE1-CE1 3.91Å; H37-F441 AromaticContact ND1-CE1 3.7Å; V40-F441 HydrophobicContact CG1-CE2 3.87Å; V40-F441 HydrophobicContact CG1-CZ 3.81Å; V41-F441 HydrophobicContact CG2-CD1 3.83Å; V41-F441 HydrophobicContact CG2-CE1 3.86Å; V41-F441 HydrophobicContact CG2-CG 4.41Å; V41-F441 HydrophobicContact CG2-CZ 4.45Å; A199-F441 HydrophobicContact CB-CE2 4.23Å; A199-F441 HydrophobicContact CB-CZ 4.18Å; V200-F441 HydrophobicContact CG2-CE2 4.26Å; E203-F441 VanDerWaalsContact OE1-CE1 3.25Å; E203-F441 WeakPolarHBondContact OE1-CE1 3.46Å; E203-F441 VanDerWaalsContact OE1-CZ 3.3Å; E203-F441 WeakPolarHBondContact OE1-CZ 3.29Å; E203-F441 WeakPolarHBondContact OE2-CE1 3.4Å; R437-F441 WeakPolarHBondContact O-CB 3.44Å; R437-F441 PolarHBondContact O-N 2.89Å; I438-F441 PolarHBondContact O-N 2.92Å; F441-R443 PolarHBondContact O-N 3.47Å; F441-T444 WeakPolarHBondContact O-CB 3.41Å; F441-T444 PolarHBondContact O-N 2.95Å; F441-V445 HydrophobicContact CD1-CG2 4.18Å; F441-V445 HydrophobicContact CE1-CG2 3.78Å; F441-V445 HydrophobicContact CE2-CG2 4.31Å; F441-V445 HydrophobicContact CZ-CG2 3.86Å; F441-V445 WeakPolarHBondContact O-CG2 3.33Å; F441-V445 PolarHBondContact O-N 3.42Å |
| 442 | N | 94.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.7 | -46.4 | 176.7 | 177.1 | -83.5 | 0 | 0 | 0 | 112.3 | Y261 S277 M278 I438 T444 V445 F446 Y450 | Y261-N442 HydrophobicContact CE1-CB 4.41Å; Y261-N442 WeakPolarHBondContact CE1-OD1 3.49Å; Y261-N442 PolarHBondContact OH-OD1 3.04Å; S277-N442 PolarHBondContact O-ND2 3.38Å; M278-N442 HydrophobicContact CE-CB 4.31Å; M278-N442 WeakPolarHBondContact CE-OD1 3.29Å; M278-N442 HydrophobicContact SD-CB 4.39Å; M278-N442 PolarHBondContact SD-ND2 3.48Å; I438-N442 WeakPolarHBondContact O-CB 3.36Å; I438-N442 PolarHBondContact O-N 3.44Å; N442-T444 VanDerWaalsContact C-N 3.26Å; N442-T444 PolarHBondContact O-N 2.68Å; N442-V445 PolarHBondContact O-N 2.71Å; N442-F446 HydrophobicContact CB-CD2 4.38Å; N442-F446 WeakPolarHBondContact ND2-CD2 3.47Å; N442-F446 WeakPolarHBondContact O-CB 3.26Å; N442-F446 WeakPolarHBondContact O-CD2 3.3Å; N442-F446 PolarHBondContact O-N 3.18Å; N442-Y450 PolarHBondContact OD1-OH 2.98Å |
| 443 | R | 92.7 | Very high | 92.4 | Very high | 55 Ų | 55 | 38.9 Ų | 38.9 | 21% | 0.208 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.8 | -40 | 174.8 | -77.6 | 178 | -174 | -173.5 | 1 | 112.7 | N258 Y261 V439 H440 F441 G447 | N258-R443 VanDerWaalsContact OD1-CZ 3.26Å; N258-R443 PolarHBondContact OD1-NH1 2.96Å; N258-R443 PolarHBondContact OD1-NH2 3.18Å; Y261-R443 HydrophobicContact CE2-CG 3.79Å; Y261-R443 WeakPolarHBondContact OH-CG 3.11Å; V439-R443 HydrophobicContact CG1-CG 4.4Å; V439-R443 WeakPolarHBondContact O-CB 3.38Å; V439-R443 VanDerWaalsContact O-CG 3.23Å; V439-R443 WeakPolarHBondContact O-CG 3.36Å; V439-R443 PolarHBondContact O-N 3.44Å; H440-R443 PolarHBondContact O-N 2.98Å; F441-R443 PolarHBondContact O-N 3.47Å; R443-G447 VanDerWaalsContact O-CA 3.26Å; R443-G447 WeakPolarHBondContact O-CA 3.3Å; R443-G447 PolarHBondContact O-N 2.91Å |
| 444 | T | 92.3 | Very high | 92.3 | Very high | 56 Ų | 56 | 36.8 Ų | 36.8 | 34% | 0.344 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -69.5 | -40.4 | -178.1 | -55.3 | 0 | 0 | 0 | 0 | 110.9 | V200 R204 H440 F441 N442 | V200-T444 HydrophobicContact CB-CG2 4.5Å; V200-T444 HydrophobicContact CG1-CG2 3.89Å; V200-T444 HydrophobicContact CG2-CG2 3.77Å; R204-T444 PolarHBondContact NH2-O 3.02Å; H440-T444 WeakPolarHBondContact O-CB 3.38Å; H440-T444 PolarHBondContact O-N 3.28Å; H440-T444 PolarHBondContact O-OG1 3.08Å; F441-T444 WeakPolarHBondContact O-CB 3.41Å; F441-T444 PolarHBondContact O-N 2.95Å; N442-T444 VanDerWaalsContact C-N 3.26Å; N442-T444 PolarHBondContact O-N 2.68Å |
| 445 | V | 93.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -71.8 | -55.8 | 176.3 | 178.9 | 0 | 0 | 0 | 0 | 110.9 | V200 E203 R204 F441 N442 | V200-V445 HydrophobicContact CG1-CG2 4.48Å; V200-V445 HydrophobicContact CG2-CG2 4.36Å; E203-V445 HydrophobicContact CB-CG1 3.7Å; E203-V445 HydrophobicContact CB-CG2 4.34Å; R204-V445 HydrophobicContact CB-CG1 4.45Å; R204-V445 PolarHBondContact NE-O 2.98Å; F441-V445 HydrophobicContact CD1-CG2 4.18Å; F441-V445 HydrophobicContact CE1-CG2 3.78Å; F441-V445 HydrophobicContact CE2-CG2 4.31Å; F441-V445 HydrophobicContact CZ-CG2 3.86Å; F441-V445 WeakPolarHBondContact O-CG2 3.33Å; F441-V445 PolarHBondContact O-N 3.42Å; N442-V445 PolarHBondContact O-N 2.71Å |
| 446 | F | 94.3 | Very high | 91.7 | Very high | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.009 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -100.2 | -6.8 | -163 | -57.6 | -77.3 | 0 | 0 | 0 | 115.6 | F207 S277 M280 N442 P448 F449 Y450 | F207-F446 HydrophobicContact CB-CE1 4.04Å; F207-F446 AromaticContact CD1-CD1 3.85Å; F207-F446 HydrophobicContact CD1-CD1 3.85Å; F207-F446 AromaticContact CD1-CE1 3.8Å; F207-F446 HydrophobicContact CD1-CE1 3.8Å; F207-F446 AromaticContact CD2-CE1 3.74Å; F207-F446 HydrophobicContact CD2-CE1 3.74Å; F207-F446 AromaticContact CE1-CD1 3.97Å; F207-F446 HydrophobicContact CE1-CD1 3.97Å; F207-F446 HydrophobicContact CE1-CE1 4.11Å; F207-F446 HydrophobicContact CE2-CE1 4.07Å; F207-F446 HydrophobicContact CG-CD1 4.14Å; F207-F446 AromaticContact CG-CE1 3.59Å; F207-F446 HydrophobicContact CG-CE1 3.59Å; F207-F446 HydrophobicContact CZ-CD1 4.38Å; F207-F446 HydrophobicContact CZ-CE1 4.23Å; S277-F446 WeakPolarHBondContact O-CE2 3.28Å; M280-F446 HydrophobicContact CE-CZ 4.01Å; N442-F446 HydrophobicContact CB-CD2 4.38Å; N442-F446 WeakPolarHBondContact ND2-CD2 3.47Å; N442-F446 WeakPolarHBondContact O-CB 3.26Å; N442-F446 WeakPolarHBondContact O-CD2 3.3Å; N442-F446 PolarHBondContact O-N 3.18Å; F446-P448 VanDerWaalsContact C-CD 3.42Å; F446-P448 VanDerWaalsContact C-N 3.29Å; F446-P448 VanDerWaalsContact O-N 3.15Å; F446-F449 HydrophobicContact CB-CD2 4.14Å; F446-F449 AromaticContact CD1-CD2 3.93Å; F446-F449 HydrophobicContact CD1-CD2 3.93Å; F446-F449 HydrophobicContact CD1-CE2 4.09Å; F446-F449 WeakPolarHBondContact O-CA 3.42Å; F446-F449 WeakPolarHBondContact O-CB 3.38Å; F446-F449 PolarHBondContact O-N 3.18Å; F446-Y450 HydrophobicContact CB-CE1 4.14Å; F446-Y450 HydrophobicContact CB-CE2 3.82Å; F446-Y450 PolarHBondContact O-N 3.47Å |
| 447 | G | 92.9 | Very high | 91.3 | Very high | 25 Ų | 25 | 52.4 Ų | 52.4 | 26% | 0.258 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -47.2 | -42.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | R443 F449 Y450 A451 | R443-G447 VanDerWaalsContact O-CA 3.26Å; R443-G447 WeakPolarHBondContact O-CA 3.3Å; R443-G447 PolarHBondContact O-N 2.91Å; G447-F449 VanDerWaalsContact C-N 3.27Å; G447-F449 PolarHBondContact O-N 3.43Å; G447-Y450 PolarHBondContact O-N 3.22Å; G447-A451 PolarHBondContact O-N 3.39Å |
| 448 | P | 93.3 | Very high | 90.7 | Very high | 63 Ų | 63 | 45.1 Ų | 45.1 | 41% | 0.409 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.2 | -28.7 | 175.2 | -26.3 | 36.8 | 0 | 0 | 0 | 114.8 | F446 P452 | F446-P448 VanDerWaalsContact C-CD 3.42Å; F446-P448 VanDerWaalsContact C-N 3.29Å; F446-P448 VanDerWaalsContact O-N 3.15Å; P448-P452 WeakPolarHBondContact O-CD 3.15Å |
| 449 | F | 92.5 | Very high | 89.9 | Confident | 21 Ų | 21 | 50.9 Ų | 50.9 | 9% | 0.092 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -80.4 | -28 | 176.3 | -52.4 | -77.3 | 0 | 0 | 0 | 112 | R204 F207 Q208 L211 L218 F446 G447 | R204-F449 HydrophobicContact CG-CE2 3.87Å; R204-F449 HydrophobicContact CG-CZ 3.86Å; F207-F449 HydrophobicContact CB-CZ 4.45Å; F207-F449 HydrophobicContact CD1-CD1 4.29Å; F207-F449 AromaticContact CD1-CD2 3.9Å; F207-F449 HydrophobicContact CD1-CD2 3.9Å; F207-F449 HydrophobicContact CD1-CE1 4.02Å; F207-F449 AromaticContact CD1-CE2 3.64Å; F207-F449 HydrophobicContact CD1-CE2 3.64Å; F207-F449 HydrophobicContact CD1-CG 4.24Å; F207-F449 AromaticContact CD1-CZ 3.71Å; F207-F449 HydrophobicContact CD1-CZ 3.71Å; F207-F449 HydrophobicContact CE1-CD1 4.44Å; F207-F449 HydrophobicContact CE1-CD2 4.15Å; F207-F449 HydrophobicContact CE1-CE2 4.35Å; F207-F449 HydrophobicContact CE1-CG 4.22Å; Q208-F449 HydrophobicContact CB-CE1 4.48Å; Q208-F449 HydrophobicContact CB-CZ 4.45Å; Q208-F449 VanDerWaalsContact OE1-CE1 3.3Å; L211-F449 HydrophobicContact CD1-CD1 3.59Å; L211-F449 HydrophobicContact CD1-CE1 3.67Å; L211-F449 HydrophobicContact CD1-CG 4.48Å; L218-F449 HydrophobicContact CD1-CB 4.42Å; F446-F449 HydrophobicContact CB-CD2 4.14Å; F446-F449 AromaticContact CD1-CD2 3.93Å; F446-F449 HydrophobicContact CD1-CD2 3.93Å; F446-F449 HydrophobicContact CD1-CE2 4.09Å; F446-F449 WeakPolarHBondContact O-CA 3.42Å; F446-F449 WeakPolarHBondContact O-CB 3.38Å; F446-F449 PolarHBondContact O-N 3.18Å; G447-F449 VanDerWaalsContact C-N 3.27Å; G447-F449 PolarHBondContact O-N 3.43Å |
| 450 | Y | 93.7 | Very high | 88.3 | Confident | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.008 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -74.4 | -32.7 | 173.8 | -53.8 | -31.8 | 0 | 0 | 0 | 112.3 | T221 W224 L225 L257 Y261 S277 N442 F446 G447 I453 L454 | T221-Y450 HydrophobicContact CG2-CD1 3.88Å; T221-Y450 HydrophobicContact CG2-CE1 3.58Å; W224-Y450 HydrophobicContact CZ3-CE1 4.47Å; L225-Y450 HydrophobicContact CD1-CD1 4.08Å; L225-Y450 HydrophobicContact CD1-CG 4.33Å; L257-Y450 HydrophobicContact CD2-CD2 3.96Å; L257-Y450 HydrophobicContact CD2-CG 4.38Å; Y261-Y450 WeakPolarHBondContact OH-CE2 3.46Å; S277-Y450 WeakPolarHBondContact CB-OH 3.23Å; S277-Y450 WeakPolarHBondContact OG-CE1 3.48Å; S277-Y450 PolarHBondContact OG-OH 2.92Å; N442-Y450 PolarHBondContact OD1-OH 2.98Å; F446-Y450 HydrophobicContact CB-CE1 4.14Å; F446-Y450 HydrophobicContact CB-CE2 3.82Å; F446-Y450 PolarHBondContact O-N 3.47Å; G447-Y450 PolarHBondContact O-N 3.22Å; Y450-I453 WeakPolarHBondContact O-CB 3.43Å; Y450-I453 PolarHBondContact O-N 3.43Å; Y450-I453 VanDerWaalsContact O-N 3.08Å; Y450-L454 WeakPolarHBondContact O-CG 3.36Å; Y450-L454 PolarHBondContact O-N 3.12Å |
| 451 | A | 91.2 | Very high | 86.1 | Confident | 29 Ų | 29 | 58.5 Ų | 58.5 | 24% | 0.24 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56.5 | -45.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | G447 I453 L454 R455 | G447-A451 PolarHBondContact O-N 3.39Å; A451-I453 VanDerWaalsContact C-N 3.33Å; A451-I453 PolarHBondContact O-N 2.95Å; A451-L454 PolarHBondContact O-N 3.45Å; A451-R455 WeakPolarHBondContact O-CB 3.37Å; A451-R455 VanDerWaalsContact O-CG 3.27Å; A451-R455 WeakPolarHBondContact O-CG 3.29Å; A451-R455 PolarHBondContact O-N 3.46Å |
| 452 | P | 90.2 | Very high | 85.8 | Confident | 61 Ų | 61 | 59.9 Ų | 59.9 | 40% | 0.396 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.1 | -38.7 | 174 | -24.8 | 33.3 | 0 | 0 | 0 | 113.9 | P448 K456 | P448-P452 WeakPolarHBondContact O-CD 3.15Å; P452-K456 WeakPolarHBondContact O-CG 3.48Å; P452-K456 PolarHBondContact O-N 3.39Å |
| 453 | I | 89.8 | Confident | 85.4 | Confident | 26 Ų | 26 | 63 Ų | 63 | 13% | 0.133 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.6 | -50.2 | 179.3 | -56.8 | 172.5 | 0 | 0 | 0 | 109.3 | T221 A222 L225 Y450 A451 R455 K456 L457 | T221-I453 HydrophobicContact CG2-CD1 4.28Å; A222-I453 HydrophobicContact CB-CD1 4.22Å; A222-I453 HydrophobicContact CB-CG2 4.27Å; L225-I453 HydrophobicContact CB-CG2 4.32Å; L225-I453 HydrophobicContact CD1-CB 4.17Å; L225-I453 HydrophobicContact CD1-CD1 4.22Å; L225-I453 HydrophobicContact CD1-CG2 3.96Å; Y450-I453 WeakPolarHBondContact O-CB 3.43Å; Y450-I453 PolarHBondContact O-N 3.43Å; Y450-I453 VanDerWaalsContact O-N 3.08Å; A451-I453 VanDerWaalsContact C-N 3.33Å; A451-I453 PolarHBondContact O-N 2.95Å; I453-R455 VanDerWaalsContact C-N 3.33Å; I453-R455 PolarHBondContact O-N 3.03Å; I453-K456 WeakPolarHBondContact O-CB 3.39Å; I453-K456 PolarHBondContact O-N 3.27Å; I453-L457 HydrophobicContact CG2-CD1 4.27Å; I453-L457 WeakPolarHBondContact O-CG 3.28Å; I453-L457 PolarHBondContact O-N 3Å; I453-L457 VanDerWaalsContact O-N 3.16Å |
| 454 | L | 88.8 | Confident | 85 | Confident | 11 Ų | 11 | 63.4 Ų | 63.4 | 6% | 0.058 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.8 | -37.8 | 179.3 | -66.8 | 171.2 | 0 | 0 | 0 | 112.2 | L225 A253 I256 L257 Y450 A451 K456 L457 L458 | L225-L454 HydrophobicContact CD1-CD2 4.44Å; L225-L454 HydrophobicContact CD1-CG 4.47Å; A253-L454 HydrophobicContact CB-CD1 4.28Å; I256-L454 HydrophobicContact CB-CD2 4.33Å; I256-L454 HydrophobicContact CG2-CD2 3.83Å; L257-L454 HydrophobicContact CD1-CD1 3.94Å; L257-L454 HydrophobicContact CD2-CD1 4.14Å; L257-L454 HydrophobicContact CG-CD1 3.91Å; Y450-L454 WeakPolarHBondContact O-CG 3.36Å; Y450-L454 PolarHBondContact O-N 3.12Å; A451-L454 PolarHBondContact O-N 3.45Å; L454-K456 VanDerWaalsContact C-N 3.35Å; L454-K456 PolarHBondContact O-N 2.93Å; L454-L457 PolarHBondContact O-N 3.18Å; L454-L458 WeakPolarHBondContact O-CB 3.29Å; L454-L458 VanDerWaalsContact O-CG 3.27Å; L454-L458 WeakPolarHBondContact O-CG 3.36Å; L454-L458 PolarHBondContact O-N 3.09Å |
| 455 | R | 87.9 | Confident | 84.5 | Confident | 162 Ų | 162 | 63.9 Ų | 63.9 | 61% | 0.611 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -59.9 | -43.7 | 174.4 | -77.7 | -179 | -159.4 | 125.2 | 0.6 | 112 | A451 I453 L457 L458 L459 | A451-R455 WeakPolarHBondContact O-CB 3.37Å; A451-R455 VanDerWaalsContact O-CG 3.27Å; A451-R455 WeakPolarHBondContact O-CG 3.29Å; A451-R455 PolarHBondContact O-N 3.46Å; I453-R455 VanDerWaalsContact C-N 3.33Å; I453-R455 PolarHBondContact O-N 3.03Å; R455-L457 VanDerWaalsContact C-N 3.27Å; R455-L457 PolarHBondContact O-N 2.8Å; R455-L458 PolarHBondContact O-N 2.74Å; R455-L459 PolarHBondContact O-N 3.5Å |
| 456 | K | 86.4 | Confident | 84 | Confident | 167 Ų | 167 | 67.9 Ų | 67.9 | 73% | 0.726 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.8 | -33.5 | 176.3 | -70.5 | 176.5 | -179.8 | -176.9 | 0 | 112.5 | P452 I453 L454 | P452-K456 WeakPolarHBondContact O-CG 3.48Å; P452-K456 PolarHBondContact O-N 3.39Å; I453-K456 WeakPolarHBondContact O-CB 3.39Å; I453-K456 PolarHBondContact O-N 3.27Å; L454-K456 VanDerWaalsContact C-N 3.35Å; L454-K456 PolarHBondContact O-N 2.93Å |
| 457 | L | 82.6 | Confident | 83.3 | Confident | 57 Ų | 57 | 72.3 Ų | 72.3 | 30% | 0.298 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -76.7 | -36 | 178.8 | -65.5 | 173.2 | 0 | 0 | 0 | 113.1 | L225 V226 A229 I453 L454 R455 | L225-L457 HydrophobicContact CB-CD1 4.38Å; V226-L457 HydrophobicContact CG2-CD1 4.26Å; V226-L457 HydrophobicContact CG2-CD2 3.75Å; A229-L457 HydrophobicContact CB-CD1 4.15Å; I453-L457 HydrophobicContact CG2-CD1 4.27Å; I453-L457 WeakPolarHBondContact O-CG 3.28Å; I453-L457 PolarHBondContact O-N 3Å; I453-L457 VanDerWaalsContact O-N 3.16Å; L454-L457 PolarHBondContact O-N 3.18Å; R455-L457 VanDerWaalsContact C-N 3.27Å; R455-L457 PolarHBondContact O-N 2.8Å |
| 458 | L | 79.3 | Confident | 82.6 | Confident | 34 Ų | 34 | 75.6 Ų | 75.6 | 18% | 0.178 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -86 | -28.4 | -177.1 | -66.9 | 174.6 | 0 | 0 | 0 | 112.9 | L250 P251 A253 I256 L454 R455 P460 | L250-L458 HydrophobicContact CD2-CB 3.87Å; L250-L458 HydrophobicContact CD2-CD2 3.77Å; L250-L458 HydrophobicContact CD2-CG 4.39Å; L250-L458 VanDerWaalsContact CD2-O 3.28Å; L250-L458 WeakPolarHBondContact CD2-O 3.38Å; L250-L458 HydrophobicContact CG-CD2 4.02Å; P251-L458 HydrophobicContact CG-CD2 4.46Å; P251-L458 WeakPolarHBondContact O-CD2 3.44Å; A253-L458 HydrophobicContact CB-CD1 4.01Å; I256-L458 HydrophobicContact CD1-CD2 3.8Å; I256-L458 HydrophobicContact CD1-CG 4.46Å; L454-L458 WeakPolarHBondContact O-CB 3.29Å; L454-L458 VanDerWaalsContact O-CG 3.27Å; L454-L458 WeakPolarHBondContact O-CG 3.36Å; L454-L458 PolarHBondContact O-N 3.09Å; R455-L458 PolarHBondContact O-N 2.74Å; L458-P460 VanDerWaalsContact C-CD 3.43Å; L458-P460 WeakPolarHBondContact O-CD 3.36Å |
| 459 | L | 74.2 | Confident | 81.8 | Confident | 130 Ų | 130 | 76.6 Ų | 76.6 | 68% | 0.681 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -122.3 | 72.9 | 177.7 | -60.8 | 170.6 | 0 | 0 | 0 | 108.9 | R455 S461 | R455-L459 PolarHBondContact O-N 3.5Å; L459-S461 PolarHBondContact O-N 2.9Å; L459-S461 VanDerWaalsContact O-N 3.1Å |
| 460 | P | 60.8 | Low | 80.9 | Confident | 108 Ų | 108 | 81.3 Ų | 81.3 | 70% | 0.701 | 45% | 0.445 | S | S | * | . | trans | -64.4 | 113.7 | 172.5 | 26 | -30 | 0 | 0 | 0 | 108.1 | L458 | L458-P460 VanDerWaalsContact C-CD 3.43Å; L458-P460 WeakPolarHBondContact O-CD 3.36Å | ||
| 461 | S | 46.1 | Very low | 79.7 | Confident | 188 Ų | 188 | 88.5 Ų | 88.5 | 100% | 1.315 | 49% | 0.485 | S | S | * | . | trans | -64.1 | 0 | 175.4 | 45.8 | 0 | 0 | 0 | 0 | 113.2 | L459 | L459-S461 PolarHBondContact O-N 2.9Å; L459-S461 VanDerWaalsContact O-N 3.1Å |
Retrieved 461 of 461 residues in 95.7 ms
(Link to these results)