| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.8 | Very low | 41.5 | Very low | 216 Ų | 216 | 149.1 Ų | 149.1 | 100% | 1.064 | 77% | 0.768 | S | S | * | * | 0 | 85.5 | 0 | -84.8 | -176.5 | -177.2 | 0 | 0 | 105 | Y3 | M1-Y3 PolarHBondContact O-N 3.08Š| |||
| 2 | D | 37.4 | Very low | 41.2 | Very low | 161 Ų | 161 | 147.7 Ų | 147.7 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | trans | -88.2 | 109.7 | -170.7 | -61.9 | -24.3 | 0 | 0 | 0 | 108.5 | Q4 | D2-Q4 PolarHBondContact O-N 3.09Š| ||
| 3 | Y | 43 | Very low | 40.8 | Very low | 210 Ų | 210 | 146.2 Ų | 146.2 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | trans | -77.2 | 103.9 | 170.2 | -77.7 | -91 | 0 | 0 | 0 | 108.6 | M1 V5 | M1-Y3 PolarHBondContact O-N 3.08Å; Y3-V5 PolarHBondContact O-N 3.4Å | ||
| 4 | Q | 38.5 | Very low | 40.5 | Very low | 182 Ų | 182 | 148.8 Ų | 148.8 | 85% | 0.85 | 75% | 0.752 | S | S | * | * | trans | -78.6 | 97.2 | 164.3 | -87.3 | 173.1 | -41.4 | 0 | 0 | 109.4 | D2 | D2-Q4 PolarHBondContact O-N 3.09Š| ||
| 5 | V | 49.9 | Very low | 40.3 | Very low | 134 Ų | 134 | 154.5 Ų | 154.5 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | trans | -90.5 | 100.9 | 156 | 177.7 | 0 | 0 | 0 | 0 | 106.6 | Y3 | Y3-V5 PolarHBondContact O-N 3.4Š| ||
| 6 | S | 39.9 | Very low | 40.4 | Very low | 104 Ų | 104 | 151.1 Ų | 151.1 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | -136.8 | 85.8 | 170.9 | 72.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 7 | S | 45.6 | Very low | 40.7 | Very low | 83 Ų | 83 | 149.1 Ų | 149.1 | 58% | 0.58 | 75% | 0.754 | S | S | * | * | trans | -165.5 | 142.8 | 134.8 | -145.1 | 0 | 0 | 0 | 0 | 107.4 | I9 | S7-I9 PolarHBondContact OG-N 3.26Š| ||
| 8 | P | 42.7 | Very low | 41.3 | Very low | 89 Ų | 89 | 150.7 Ų | 150.7 | 58% | 0.578 | 76% | 0.759 | S | S | * | * | -131.8 | 114.6 | 90.6 | 33.2 | -20.8 | 0 | 0 | 0 | 111.4 | Y10 | P8-Y10 HydrophobicContact CG-CE2 4.25Å; P8-Y10 PolarHBondContact O-N 3.33Å; P8-Y10 VanDerWaalsContact O-N 3.17Å | |||
| 9 | I | 42.6 | Very low | 42.4 | Very low | 137 Ų | 137 | 148.7 Ų | 148.7 | 70% | 0.703 | 76% | 0.758 | S | S | * | * | trans | -55.9 | 111.6 | 141.4 | -67.9 | 170.6 | 0 | 0 | 0 | 104.7 | S7 D11 | S7-I9 PolarHBondContact OG-N 3.26Å; I9-D11 PolarHBondContact O-N 3.47Å | ||
| 10 | Y | 39.3 | Very low | 43.6 | Very low | 198 Ų | 198 | 143.4 Ų | 143.4 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | trans | -67.7 | 91 | 169.9 | -71.6 | -87.3 | 0 | 0 | 0 | 107.4 | P8 I12 | P8-Y10 HydrophobicContact CG-CE2 4.25Å; P8-Y10 PolarHBondContact O-N 3.33Å; P8-Y10 VanDerWaalsContact O-N 3.17Å; Y10-I12 PolarHBondContact O-N 3.5Å | ||
| 11 | D | 36.6 | Very low | 44.6 | Very low | 126 Ų | 126 | 143.8 Ų | 143.8 | 67% | 0.674 | 73% | 0.733 | S | S | * | * | trans | -65.1 | 90.7 | 158.6 | -86 | -23.5 | 0 | 0 | 0 | 106.7 | I9 N13 | I9-D11 PolarHBondContact O-N 3.47Å; D11-N13 PolarHBondContact O-N 2.91Å | ||
| 12 | I | 38 | Very low | 45.9 | Very low | 132 Ų | 132 | 137.8 Ų | 137.8 | 68% | 0.677 | 70% | 0.7 | S | S | * | * | trans | -71.1 | 76.4 | 160.5 | -53.8 | 178.3 | 0 | 0 | 0 | 105.8 | Y10 Y14 | Y10-I12 PolarHBondContact O-N 3.5Å; I12-Y14 HydrophobicContact CG2-CD2 3.55Å; I12-Y14 HydrophobicContact CG2-CE2 3.68Å; I12-Y14 PolarHBondContact O-N 3.11Å | ||
| 13 | N | 36.3 | Very low | 47.2 | Very low | 128 Ų | 128 | 134.5 Ų | 134.5 | 68% | 0.684 | 68% | 0.682 | S | S | * | * | trans | -67.6 | 79.5 | 164.1 | -86.3 | -40.4 | 0 | 0 | 0 | 107.5 | D11 Y15 | D11-N13 PolarHBondContact O-N 2.91Å; N13-Y15 PolarHBondContact O-N 3.09Å | ||
| 14 | Y | 35.9 | Very low | 48.4 | Very low | 183 Ų | 183 | 130.3 Ų | 130.3 | 72% | 0.718 | 67% | 0.674 | S | S | * | * | trans | -57.6 | 119.2 | 146.5 | -87.9 | -85.4 | 0 | 0 | 0 | 105.4 | I12 T16 | I12-Y14 HydrophobicContact CG2-CD2 3.55Å; I12-Y14 HydrophobicContact CG2-CE2 3.68Å; I12-Y14 PolarHBondContact O-N 3.11Å; Y14-T16 PolarHBondContact O-N 3.17Å; Y14-T16 PolarHBondContact O-OG1 3.3Å | ||
| 15 | Y | 38.7 | Very low | 50 | Low | 234 Ų | 234 | 123 Ų | 123 | 92% | 0.918 | 64% | 0.641 | S | S | * | * | trans | -66.2 | 54.9 | 167.3 | -126.6 | -94.6 | 0 | 0 | 0 | 108.8 | N13 | N13-Y15 PolarHBondContact O-N 3.09Š| ||
| 16 | T | 42 | Very low | 51.2 | Low | 100 Ų | 100 | 122.1 Ų | 122.1 | 61% | 0.613 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 120.6 | 160.4 | 40 | 0 | 0 | 0 | 0 | 105.4 | Y14 E18 | Y14-T16 PolarHBondContact O-N 3.17Å; Y14-T16 PolarHBondContact O-OG1 3.3Å; T16-E18 PolarHBondContact O-N 3.39Å |
| 17 | P | 44.9 | Very low | 53.1 | Low | 118 Ų | 118 | 122.5 Ų | 122.5 | 77% | 0.766 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 120 | 169.7 | 21.5 | -29.6 | 0 | 0 | 0 | 107 | ||
| 18 | E | 51.8 | Low | 54.8 | Low | 177 Ų | 177 | 124.1 Ų | 124.1 | 83% | 0.827 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -50 | 129.3 | 177.3 | -73.9 | -173.4 | 158.6 | 0 | 0 | 108.3 | T16 C20 | T16-E18 PolarHBondContact O-N 3.39Å; E18-C20 PolarHBondContact O-N 3.47Å |
| 19 | P | 62.3 | Low | 56.6 | Low | 114 Ų | 114 | 120.6 Ų | 120.6 | 74% | 0.74 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -59 | 119.3 | 178.2 | 21.6 | -30.1 | 0 | 0 | 0 | 108.6 | Q21 | P19-Q21 PolarHBondContact O-N 3.41Š|
| 20 | C | 66.9 | Low | 58.6 | Low | 42 Ų | 42 | 115.4 Ų | 115.4 | 28% | 0.284 | 57% | 0.574 | S | S | . | * | trans | -50.6 | 108.3 | -178 | -173.4 | 0 | 0 | 0 | 0 | 109.7 | E18 K22 C269 | E18-C20 PolarHBondContact O-N 3.47Å; C20-K22 PolarHBondContact O-N 3.27Å; C20-C269 HydrophobicContact CB-CB 4.07Å; C20-C269 WeakPolarHBondContact CB-SG 3.33Å; C20-C269 WeakPolarHBondContact SG-CB 3.35Å; C20-C269 PolarHBondContact SG-O 3.33Å; C20-C269 CovalentContact SG-SG 2.06Å; C20-C269 PolarHBondContact SG-SG 2.87Å | ||
| 21 | Q | 64.3 | Low | 61 | Low | 152 Ų | 152 | 116 Ų | 116 | 71% | 0.71 | 58% | 0.575 | S | S | * | * | trans | -74.7 | 119.4 | -171.5 | -71 | -168.8 | -10.7 | 0 | 0 | 111.6 | P19 I23 | P19-Q21 PolarHBondContact O-N 3.41Å; Q21-I23 HydrophobicContact CB-CD1 4.41Å; Q21-I23 HydrophobicContact CB-CG1 4.45Å | ||
| 22 | K | 67.2 | Low | 63.5 | Low | 89 Ų | 89 | 115.3 Ų | 115.3 | 39% | 0.387 | 57% | 0.571 | S | S | . | * | trans | -105.2 | 26.8 | -176.1 | -55.3 | -177 | -168.6 | 178.8 | 0 | 114.3 | C20 N24 V25 D276 | C20-K22 PolarHBondContact O-N 3.27Å; K22-N24 PolarHBondContact O-N 3.34Å; K22-V25 PolarHBondContact O-N 3.08Å; K22-D276 HydrophobicContact CD-CB 4.47Å; K22-D276 WeakPolarHBondContact CE-OD2 3.49Å; K22-D276 IonicContact NZ-OD1 3.16Å; K22-D276 PolarHBondContact NZ-OD1 2.88Å; K22-D276 VanDerWaalsContact NZ-OD1 3.16Å; K22-D276 IonicContact NZ-OD2 2.62Å; K22-D276 PolarHBondContact NZ-OD2 3.25Å | ||
| 23 | I | 65.1 | Low | 65.9 | Low | 93 Ų | 93 | 109.5 Ų | 109.5 | 48% | 0.477 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -58.1 | -43.3 | -164.9 | -60.9 | 170.4 | 0 | 0 | 0 | 113.1 | Q21 V25 Q27 | Q21-I23 HydrophobicContact CB-CD1 4.41Å; Q21-I23 HydrophobicContact CB-CG1 4.45Å; I23-V25 VanDerWaalsContact C-N 3.35Å; I23-V25 PolarHBondContact O-N 3.02Å; I23-Q27 PolarHBondContact O-N 3.24Å |
| 24 | N | 69 | Low | 68.6 | Low | 122 Ų | 122 | 104.6 Ų | 104.6 | 65% | 0.652 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.5 | -32 | -175.4 | -67.2 | -13.7 | 0 | 0 | 0 | 113.4 | K22 I28 | K22-N24 PolarHBondContact O-N 3.34Å; N24-I28 WeakPolarHBondContact O-CG1 3.44Å; N24-I28 PolarHBondContact O-N 3.47Å |
| 25 | V | 71.9 | Confident | 71.3 | Confident | 27 Ų | 27 | 99.1 Ų | 99.1 | 16% | 0.164 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -72.8 | -43.8 | -176 | -175.6 | 0 | 0 | 0 | 0 | 110.8 | K22 I23 Q27 I28 A29 Q277 | K22-V25 PolarHBondContact O-N 3.08Å; I23-V25 VanDerWaalsContact C-N 3.35Å; I23-V25 PolarHBondContact O-N 3.02Å; V25-Q27 VanDerWaalsContact C-N 3.32Å; V25-Q27 PolarHBondContact O-N 3.38Å; V25-I28 PolarHBondContact O-N 3.34Å; V25-A29 WeakPolarHBondContact O-CB 3.34Å; V25-A29 PolarHBondContact O-N 2.98Å; V25-Q277 HydrophobicContact CB-CG 4.28Å; V25-Q277 HydrophobicContact CG1-CG 3.84Å; V25-Q277 HydrophobicContact CG2-CG 3.4Å; V25-Q277 VanDerWaalsContact CG2-CG 3.4Å |
| 26 | K | 74.1 | Confident | 73.9 | Confident | 117 Ų | 117 | 90.7 Ų | 90.7 | 51% | 0.509 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.6 | -39.6 | -179.3 | -168.2 | 177.8 | 179.2 | -176.9 | 0 | 111.7 | A30 | K26-A30 VanDerWaalsContact O-CB 3.3Å; K26-A30 WeakPolarHBondContact O-CB 3.4Å; K26-A30 PolarHBondContact O-N 3.33Å |
| 27 | Q | 80.1 | Confident | 76.3 | Confident | 112 Ų | 112 | 86.2 Ų | 86.2 | 52% | 0.523 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -68.3 | -40.4 | 179.5 | -69.7 | 180 | -5.7 | 0 | 0 | 113.1 | I23 V25 R31 | I23-Q27 PolarHBondContact O-N 3.24Å; V25-Q27 VanDerWaalsContact C-N 3.32Å; V25-Q27 PolarHBondContact O-N 3.38Å; Q27-R31 PolarHBondContact O-N 2.86Å |
| 28 | I | 80.9 | Confident | 78.6 | Confident | 116 Ų | 116 | 83.4 Ų | 83.4 | 60% | 0.595 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -66.7 | -45.8 | 176.3 | -65.8 | 169.5 | 0 | 0 | 0 | 109.9 | N24 V25 A30 R31 L32 | N24-I28 WeakPolarHBondContact O-CG1 3.44Å; N24-I28 PolarHBondContact O-N 3.47Å; V25-I28 PolarHBondContact O-N 3.34Å; I28-A30 VanDerWaalsContact C-N 3.33Å; I28-A30 PolarHBondContact O-N 3.46Å; I28-R31 PolarHBondContact O-N 3.43Å; I28-L32 PolarHBondContact O-N 2.9Å |
| 29 | A | 81.9 | Confident | 80.6 | Confident | 15 Ų | 15 | 79.3 Ų | 79.3 | 12% | 0.124 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -57.9 | -43.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V25 R31 L32 L33 | V25-A29 WeakPolarHBondContact O-CB 3.34Å; V25-A29 PolarHBondContact O-N 2.98Å; A29-R31 PolarHBondContact O-N 3.17Å; A29-L32 PolarHBondContact O-N 3.37Å; A29-L33 HydrophobicContact CB-CD1 3.79Å; A29-L33 HydrophobicContact CB-CG 4.26Å; A29-L33 VanDerWaalsContact O-CB 3.27Å; A29-L33 WeakPolarHBondContact O-CB 3.44Å; A29-L33 VanDerWaalsContact O-CG 3.25Å; A29-L33 WeakPolarHBondContact O-CG 3.4Å; A29-L33 PolarHBondContact O-N 2.78Å |
| 30 | A | 84.4 | Confident | 82.2 | Confident | 28 Ų | 28 | 74.2 Ų | 74.2 | 23% | 0.231 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62 | -26.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | K26 I28 P34 A90 | K26-A30 VanDerWaalsContact O-CB 3.3Å; K26-A30 WeakPolarHBondContact O-CB 3.4Å; K26-A30 PolarHBondContact O-N 3.33Å; I28-A30 VanDerWaalsContact C-N 3.33Å; I28-A30 PolarHBondContact O-N 3.46Å; A30-P34 VanDerWaalsContact O-CD 3.3Å; A30-P34 WeakPolarHBondContact O-CD 3.42Å; A30-P34 VanDerWaalsContact O-CG 3.3Å; A30-P34 WeakPolarHBondContact O-CG 3.15Å; A30-A90 VanDerWaalsContact CA-O 3.24Å; A30-A90 WeakPolarHBondContact CA-O 3.37Å; A30-A90 WeakPolarHBondContact CB-O 3.43Å |
| 31 | R | 88 | Confident | 83.5 | Confident | 212 Ų | 212 | 75.1 Ų | 75.1 | 80% | 0.8 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -88.7 | -36.8 | 177.2 | -67.5 | -179 | -177.4 | -172.9 | 1.7 | 112.9 | Q27 I28 A29 P35 | Q27-R31 PolarHBondContact O-N 2.86Å; I28-R31 PolarHBondContact O-N 3.43Å; A29-R31 PolarHBondContact O-N 3.17Å; R31-P35 WeakPolarHBondContact O-CD 3.33Å |
| 32 | L | 89.1 | Confident | 84.9 | Confident | 111 Ų | 111 | 72.3 Ų | 72.3 | 58% | 0.581 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -90.5 | -39.5 | -172.1 | -172.7 | 68.2 | 0 | 0 | 0 | 113.4 | I28 A29 P35 L36 | I28-L32 PolarHBondContact O-N 2.9Å; A29-L32 PolarHBondContact O-N 3.37Å; L32-P35 WeakPolarHBondContact O-CD 3.37Å; L32-P35 WeakPolarHBondContact O-CG 3.27Å; L32-L36 WeakPolarHBondContact O-CB 3.43Å; L32-L36 PolarHBondContact O-N 3.07Å |
| 33 | L | 90.2 | Very high | 86.1 | Confident | 9 Ų | 9 | 74.4 Ų | 74.4 | 5% | 0.047 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -68.5 | -44.4 | -172.7 | -62 | 178.6 | 0 | 0 | 0 | 113.5 | A29 L36 F37 A90 Q280 T284 | A29-L33 HydrophobicContact CB-CD1 3.79Å; A29-L33 HydrophobicContact CB-CG 4.26Å; A29-L33 VanDerWaalsContact O-CB 3.27Å; A29-L33 WeakPolarHBondContact O-CB 3.44Å; A29-L33 VanDerWaalsContact O-CG 3.25Å; A29-L33 WeakPolarHBondContact O-CG 3.4Å; A29-L33 PolarHBondContact O-N 2.78Å; L33-L36 PolarHBondContact O-N 2.93Å; L33-F37 HydrophobicContact CB-CD2 4.29Å; L33-F37 HydrophobicContact CB-CE2 4.04Å; L33-F37 HydrophobicContact CB-CZ 4.3Å; L33-F37 HydrophobicContact CD1-CE2 4.5Å; L33-F37 HydrophobicContact CD1-CZ 4.5Å; L33-F37 HydrophobicContact CD2-CE1 4.3Å; L33-F37 HydrophobicContact CD2-CZ 4.03Å; L33-F37 VanDerWaalsContact O-CB 3.26Å; L33-F37 WeakPolarHBondContact O-CB 3.35Å; L33-F37 VanDerWaalsContact O-CG 3.29Å; L33-F37 WeakPolarHBondContact O-CG 3.2Å; L33-F37 PolarHBondContact O-N 3.38Å; L33-A90 HydrophobicContact CB-CB 3.96Å; L33-A90 HydrophobicContact CD1-CB 3.9Å; L33-Q280 HydrophobicContact CD1-CG 4.48Å; L33-Q280 VanDerWaalsContact CD1-NE2 3.33Å; L33-T284 HydrophobicContact CD2-CG2 3.55Å; L33-T284 VanDerWaalsContact CD2-OG1 3.24Å; L33-T284 WeakPolarHBondContact CD2-OG1 3.13Å |
| 34 | P | 91.8 | Very high | 87.5 | Confident | 25 Ų | 25 | 70 Ų | 70 | 16% | 0.162 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.8 | -48.8 | -177.6 | -22.6 | 33.3 | 0 | 0 | 0 | 115 | A30 S38 A91 | A30-P34 VanDerWaalsContact O-CD 3.3Å; A30-P34 WeakPolarHBondContact O-CD 3.42Å; A30-P34 VanDerWaalsContact O-CG 3.3Å; A30-P34 WeakPolarHBondContact O-CG 3.15Å; P34-S38 WeakPolarHBondContact O-CB 3.22Å; P34-S38 PolarHBondContact O-N 3.17Å; P34-S38 PolarHBondContact O-OG 3.37Å; P34-A91 HydrophobicContact CG-CB 3.74Å |
| 35 | P | 93.3 | Very high | 88.7 | Confident | 69 Ų | 69 | 67.7 Ų | 67.7 | 45% | 0.448 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.5 | -38.1 | 177.4 | 25.3 | -32.9 | 0 | 0 | 0 | 111.9 | R31 L32 S38 L39 | R31-P35 WeakPolarHBondContact O-CD 3.33Å; L32-P35 WeakPolarHBondContact O-CD 3.37Å; L32-P35 WeakPolarHBondContact O-CG 3.27Å; P35-S38 PolarHBondContact O-N 3.09Å; P35-L39 WeakPolarHBondContact O-CG 3.34Å; P35-L39 PolarHBondContact O-N 3.17Å |
| 36 | L | 93.3 | Very high | 89.7 | Confident | 57 Ų | 57 | 70.8 Ų | 70.8 | 30% | 0.298 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.1 | -48.7 | 177.3 | 178.8 | 62.6 | 0 | 0 | 0 | 111.7 | L32 L33 S38 L39 V40 T284 | L32-L36 WeakPolarHBondContact O-CB 3.43Å; L32-L36 PolarHBondContact O-N 3.07Å; L33-L36 PolarHBondContact O-N 2.93Å; L36-S38 VanDerWaalsContact C-N 3.28Å; L36-S38 PolarHBondContact O-N 2.75Å; L36-L39 WeakPolarHBondContact O-CB 3.24Å; L36-L39 PolarHBondContact O-N 3.45Å; L36-V40 WeakPolarHBondContact O-CG2 3.48Å; L36-V40 PolarHBondContact O-N 2.92Å; L36-T284 HydrophobicContact CD2-CG2 3.48Å; L36-T284 VanDerWaalsContact CD2-CG2 3.48Å |
| 37 | F | 92.9 | Very high | 90.6 | Very high | 5 Ų | 5 | 65.9 Ų | 65.9 | 2% | 0.022 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.9 | -34.2 | 177.4 | -74.4 | -5.8 | 0 | 0 | 0 | 112.3 | L33 V40 F41 V83 W86 A87 T284 M287 | L33-F37 HydrophobicContact CB-CD2 4.29Å; L33-F37 HydrophobicContact CB-CE2 4.04Å; L33-F37 HydrophobicContact CB-CZ 4.3Å; L33-F37 HydrophobicContact CD1-CE2 4.5Å; L33-F37 HydrophobicContact CD1-CZ 4.5Å; L33-F37 HydrophobicContact CD2-CE1 4.3Å; L33-F37 HydrophobicContact CD2-CZ 4.03Å; L33-F37 VanDerWaalsContact O-CB 3.26Å; L33-F37 WeakPolarHBondContact O-CB 3.35Å; L33-F37 VanDerWaalsContact O-CG 3.29Å; L33-F37 WeakPolarHBondContact O-CG 3.2Å; L33-F37 PolarHBondContact O-N 3.38Å; F37-V40 PolarHBondContact O-N 2.84Å; F37-F41 VanDerWaalsContact O-CB 3.31Å; F37-F41 WeakPolarHBondContact O-CB 3.26Å; F37-F41 PolarHBondContact O-N 3.02Å; F37-V83 HydrophobicContact CB-CG1 3.54Å; F37-V83 HydrophobicContact CD1-CG1 4.48Å; F37-V83 HydrophobicContact CG-CG1 3.96Å; F37-V83 WeakPolarHBondContact O-CG1 3.37Å; F37-W86 HydrophobicContact CD2-CB 4.41Å; F37-W86 HydrophobicContact CE2-CB 4.2Å; F37-A87 HydrophobicContact CB-CB 3.83Å; F37-A87 HydrophobicContact CD2-CB 4.02Å; F37-A87 HydrophobicContact CG-CB 4.47Å; F37-T284 HydrophobicContact CE1-CG2 3.94Å; F37-T284 HydrophobicContact CZ-CG2 4.5Å; F37-M287 HydrophobicContact CE1-CB 4.28Å; F37-M287 HydrophobicContact CE1-SD 3.68Å; F37-M287 HydrophobicContact CE2-SD 4.03Å; F37-M287 HydrophobicContact CZ-SD 3.3Å; F37-M287 WeakPolarHBondContact CZ-SD 3.48Å |
| 38 | S | 93.1 | Very high | 91.3 | Very high | 60 Ų | 60 | 60.6 Ų | 60.6 | 42% | 0.42 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 172.7 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | P34 P35 L36 F41 I42 | P34-S38 WeakPolarHBondContact O-CB 3.22Å; P34-S38 PolarHBondContact O-N 3.17Å; P34-S38 PolarHBondContact O-OG 3.37Å; P35-S38 PolarHBondContact O-N 3.09Å; L36-S38 VanDerWaalsContact C-N 3.28Å; L36-S38 PolarHBondContact O-N 2.75Å; S38-F41 PolarHBondContact O-N 3.46Å; S38-I42 VanDerWaalsContact O-CG1 3.3Å; S38-I42 WeakPolarHBondContact O-CG1 3.49Å; S38-I42 PolarHBondContact O-N 3.2Å |
| 39 | L | 93.8 | Very high | 91.9 | Very high | 91 Ų | 91 | 58.1 Ų | 58.1 | 48% | 0.476 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.3 | -45 | 174.9 | -70.8 | 168.7 | 0 | 0 | 0 | 111.9 | P35 L36 F41 I42 F43 | P35-L39 WeakPolarHBondContact O-CG 3.34Å; P35-L39 PolarHBondContact O-N 3.17Å; L36-L39 WeakPolarHBondContact O-CB 3.24Å; L36-L39 PolarHBondContact O-N 3.45Å; L39-F41 VanDerWaalsContact C-N 3.29Å; L39-F41 PolarHBondContact O-N 2.86Å; L39-I42 PolarHBondContact O-N 3.13Å; L39-F43 HydrophobicContact CB-CD2 4.37Å; L39-F43 HydrophobicContact CB-CE2 4.4Å; L39-F43 HydrophobicContact CD2-CE2 3.98Å; L39-F43 WeakPolarHBondContact O-CD2 3.29Å; L39-F43 PolarHBondContact O-N 3.35Å |
| 40 | V | 94.4 | Very high | 92.3 | Very high | 6 Ų | 6 | 59.2 Ų | 59.2 | 4% | 0.036 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.9 | -43.4 | 176.2 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | L36 F37 G44 L80 T288 | L36-V40 WeakPolarHBondContact O-CG2 3.48Å; L36-V40 PolarHBondContact O-N 2.92Å; F37-V40 PolarHBondContact O-N 2.84Å; V40-G44 VanDerWaalsContact O-CA 3.31Å; V40-G44 WeakPolarHBondContact O-CA 3.31Å; V40-G44 PolarHBondContact O-N 3.44Å; V40-L80 HydrophobicContact CG1-CD2 4.16Å; V40-L80 WeakPolarHBondContact O-CD2 3.33Å; V40-T288 HydrophobicContact CG2-CG2 3.77Å |
| 41 | F | 94.6 | Very high | 92.7 | Very high | 61 Ų | 61 | 58 Ų | 58 | 27% | 0.268 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.3 | -51.6 | 176.3 | 179.3 | -104.2 | 0 | 0 | 0 | 111.7 | F37 S38 L39 F45 L80 V83 P84 | F37-F41 VanDerWaalsContact O-CB 3.31Å; F37-F41 WeakPolarHBondContact O-CB 3.26Å; F37-F41 PolarHBondContact O-N 3.02Å; S38-F41 PolarHBondContact O-N 3.46Å; L39-F41 VanDerWaalsContact C-N 3.29Å; L39-F41 PolarHBondContact O-N 2.86Å; F41-F45 HydrophobicContact CE2-CD2 4.37Å; F41-F45 HydrophobicContact CZ-CD2 4.48Å; F41-F45 WeakPolarHBondContact O-CB 3.38Å; F41-F45 PolarHBondContact O-N 3.23Å; F41-L80 HydrophobicContact CD2-CB 4.4Å; F41-L80 VanDerWaalsContact CD2-O 3.28Å; F41-L80 WeakPolarHBondContact CD2-O 3.12Å; F41-V83 HydrophobicContact CB-CG1 4.42Å; F41-P84 HydrophobicContact CD1-CG 4.49Å; F41-P84 HydrophobicContact CD2-CG 3.83Å; F41-P84 HydrophobicContact CE2-CG 3.95Å; F41-P84 HydrophobicContact CG-CG 4.11Å; F41-P84 HydrophobicContact CZ-CG 4.35Å |
| 42 | I | 94.1 | Very high | 92.9 | Very high | 94 Ų | 94 | 49.1 Ų | 49.1 | 48% | 0.482 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.5 | -54.9 | -177.9 | -67.4 | 165.1 | 0 | 0 | 0 | 111 | S38 L39 V46 | S38-I42 VanDerWaalsContact O-CG1 3.3Å; S38-I42 WeakPolarHBondContact O-CG1 3.49Å; S38-I42 PolarHBondContact O-N 3.2Å; L39-I42 PolarHBondContact O-N 3.13Å; I42-V46 WeakPolarHBondContact O-CB 3.44Å; I42-V46 VanDerWaalsContact O-CG2 3.3Å; I42-V46 WeakPolarHBondContact O-CG2 3.46Å; I42-V46 PolarHBondContact O-N 2.85Å; I42-V46 VanDerWaalsContact O-N 3.08Å |
| 43 | F | 93.1 | Very high | 93 | Very high | 132 Ų | 132 | 47.4 Ų | 47.4 | 58% | 0.579 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -68 | -40.5 | -177.3 | -69.7 | -56.4 | 0 | 0 | 0 | 112.1 | L39 G47 C291 | L39-F43 HydrophobicContact CB-CD2 4.37Å; L39-F43 HydrophobicContact CB-CE2 4.4Å; L39-F43 HydrophobicContact CD2-CE2 3.98Å; L39-F43 WeakPolarHBondContact O-CD2 3.29Å; L39-F43 PolarHBondContact O-N 3.35Å; F43-G47 WeakPolarHBondContact O-CA 3.3Å; F43-G47 PolarHBondContact O-N 2.74Å; F43-C291 HydrophobicContact CB-CB 4.41Å |
| 44 | G | 94 | Very high | 92.9 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.6 | -45.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | V40 N48 | V40-G44 VanDerWaalsContact O-CA 3.31Å; V40-G44 WeakPolarHBondContact O-CA 3.31Å; V40-G44 PolarHBondContact O-N 3.44Å; G44-N48 VanDerWaalsContact O-CB 3.3Å; G44-N48 WeakPolarHBondContact O-CB 3.3Å; G44-N48 PolarHBondContact O-N 3.39Å; G44-N48 PolarHBondContact O-ND2 3.14Å |
| 45 | F | 93.9 | Very high | 92.7 | Very high | 74 Ų | 74 | 46 Ų | 46 | 33% | 0.325 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.9 | -50.5 | -177.9 | -168.1 | -92.2 | 0 | 0 | 0 | 111 | F41 G47 M49 L81 | F41-F45 HydrophobicContact CE2-CD2 4.37Å; F41-F45 HydrophobicContact CZ-CD2 4.48Å; F41-F45 WeakPolarHBondContact O-CB 3.38Å; F41-F45 PolarHBondContact O-N 3.23Å; F45-G47 PolarHBondContact O-N 3.48Å; F45-M49 HydrophobicContact CD1-CG 4.09Å; F45-M49 HydrophobicContact CD2-CE 4.32Å; F45-M49 HydrophobicContact CE1-CE 4.41Å; F45-M49 HydrophobicContact CE1-CG 3.89Å; F45-M49 HydrophobicContact CE2-CE 3.71Å; F45-M49 HydrophobicContact CZ-CE 3.77Å; F45-M49 HydrophobicContact CZ-CG 4.19Å; F45-M49 VanDerWaalsContact O-CB 3.31Å; F45-M49 WeakPolarHBondContact O-CB 3.47Å; F45-M49 WeakPolarHBondContact O-CG 3.38Å; F45-M49 PolarHBondContact O-N 2.93Å; F45-L81 HydrophobicContact CE2-CD2 4.42Å |
| 46 | V | 93.4 | Very high | 92.5 | Very high | 92 Ų | 92 | 46.5 Ų | 46.5 | 56% | 0.558 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -61.7 | -45 | 178.6 | 175.3 | 0 | 0 | 0 | 0 | 111 | I42 L50 | I42-V46 WeakPolarHBondContact O-CB 3.44Å; I42-V46 VanDerWaalsContact O-CG2 3.3Å; I42-V46 WeakPolarHBondContact O-CG2 3.46Å; I42-V46 PolarHBondContact O-N 2.85Å; I42-V46 VanDerWaalsContact O-N 3.08Å; V46-L50 WeakPolarHBondContact O-CB 3.46Å; V46-L50 PolarHBondContact O-N 2.91Å |
| 47 | G | 92.6 | Very high | 92.1 | Very high | 15 Ų | 15 | 48.1 Ų | 48.1 | 16% | 0.155 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62 | -50.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F43 F45 L50 V51 | F43-G47 WeakPolarHBondContact O-CA 3.3Å; F43-G47 PolarHBondContact O-N 2.74Å; F45-G47 PolarHBondContact O-N 3.48Å; G47-L50 WeakPolarHBondContact O-CB 3.43Å; G47-L50 PolarHBondContact O-N 3.23Å; G47-V51 WeakPolarHBondContact O-CG2 3.37Å; G47-V51 PolarHBondContact O-N 3.45Å |
| 48 | N | 94.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.8 | -37.9 | -178.8 | -75.5 | -63.9 | 0 | 0 | 0 | 112.3 | G44 L50 V51 I52 D76 P77 C290 | G44-N48 VanDerWaalsContact O-CB 3.3Å; G44-N48 WeakPolarHBondContact O-CB 3.3Å; G44-N48 PolarHBondContact O-N 3.39Å; G44-N48 PolarHBondContact O-ND2 3.14Å; N48-L50 VanDerWaalsContact C-N 3.31Å; N48-L50 PolarHBondContact O-N 3.24Å; N48-V51 WeakPolarHBondContact O-CB 3.4Å; N48-V51 PolarHBondContact O-N 3.43Å; N48-I52 WeakPolarHBondContact O-CG1 3.18Å; N48-I52 PolarHBondContact O-N 3.46Å; N48-D76 WeakPolarHBondContact ND2-CB 3.38Å; N48-D76 PolarHBondContact OD1-OD2 3.03Å; N48-P77 HydrophobicContact CB-CG 4.09Å; N48-C290 PolarHBondContact ND2-O 3.49Å |
| 49 | M | 93.7 | Very high | 90.9 | Very high | 64 Ų | 64 | 48.5 Ų | 48.5 | 32% | 0.315 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.3 | -39.3 | 173.8 | -69.9 | -61.6 | 156.9 | 0 | 0 | 111.9 | F45 V51 I52 L53 P77 | F45-M49 HydrophobicContact CD1-CG 4.09Å; F45-M49 HydrophobicContact CD2-CE 4.32Å; F45-M49 HydrophobicContact CE1-CE 4.41Å; F45-M49 HydrophobicContact CE1-CG 3.89Å; F45-M49 HydrophobicContact CE2-CE 3.71Å; F45-M49 HydrophobicContact CZ-CE 3.77Å; F45-M49 HydrophobicContact CZ-CG 4.19Å; F45-M49 VanDerWaalsContact O-CB 3.31Å; F45-M49 WeakPolarHBondContact O-CB 3.47Å; F45-M49 WeakPolarHBondContact O-CG 3.38Å; F45-M49 PolarHBondContact O-N 2.93Å; M49-V51 VanDerWaalsContact C-N 3.35Å; M49-I52 PolarHBondContact O-N 3.5Å; M49-I52 HydrophobicContact SD-CD1 4.12Å; M49-L53 WeakPolarHBondContact O-CB 3.39Å; M49-L53 VanDerWaalsContact O-CG 3.27Å; M49-L53 WeakPolarHBondContact O-CG 3.48Å; M49-L53 PolarHBondContact O-N 3.01Å; M49-P77 HydrophobicContact CE-CB 4.09Å; M49-P77 HydrophobicContact CE-CG 3.95Å |
| 50 | L | 91.6 | Very high | 90.5 | Very high | 38 Ų | 38 | 53 Ų | 53 | 20% | 0.199 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.7 | -40.6 | 174.7 | -174.6 | 59.7 | 0 | 0 | 0 | 111.9 | V46 G47 N48 L53 I54 L308 F311 | V46-L50 WeakPolarHBondContact O-CB 3.46Å; V46-L50 PolarHBondContact O-N 2.91Å; G47-L50 WeakPolarHBondContact O-CB 3.43Å; G47-L50 PolarHBondContact O-N 3.23Å; N48-L50 VanDerWaalsContact C-N 3.31Å; N48-L50 PolarHBondContact O-N 3.24Å; L50-L53 PolarHBondContact O-N 3.46Å; L50-I54 HydrophobicContact CD1-CD1 4.14Å; L50-I54 HydrophobicContact CD1-CG1 4.48Å; L50-I54 HydrophobicContact CG-CD1 4.02Å; L50-I54 WeakPolarHBondContact O-CB 3.4Å; L50-I54 VanDerWaalsContact O-CG1 3.3Å; L50-I54 WeakPolarHBondContact O-CG1 3.4Å; L50-I54 PolarHBondContact O-N 3.22Å; L50-L308 HydrophobicContact CD1-CD2 4.33Å; L50-L308 HydrophobicContact CD2-CD2 3.39Å; L50-L308 HydrophobicContact CG-CD2 3.82Å; L50-F311 HydrophobicContact CD1-CD1 3.79Å; L50-F311 HydrophobicContact CD1-CE1 3.61Å; L50-F311 HydrophobicContact CD1-CZ 4.33Å |
| 51 | V | 91.7 | Very high | 90.1 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.012 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.4 | -48.5 | 174.4 | 174.1 | 0 | 0 | 0 | 0 | 111 | G47 N48 M49 L53 I54 L55 A73 P294 Y297 F304 | G47-V51 WeakPolarHBondContact O-CG2 3.37Å; G47-V51 PolarHBondContact O-N 3.45Å; N48-V51 WeakPolarHBondContact O-CB 3.4Å; N48-V51 PolarHBondContact O-N 3.43Å; M49-V51 VanDerWaalsContact C-N 3.35Å; V51-L53 PolarHBondContact O-N 2.98Å; V51-I54 PolarHBondContact O-N 3.45Å; V51-L55 HydrophobicContact CG1-CD1 3.71Å; V51-L55 HydrophobicContact CG1-CG 4.36Å; V51-L55 WeakPolarHBondContact O-CB 3.42Å; V51-L55 VanDerWaalsContact O-CG 3.31Å; V51-L55 WeakPolarHBondContact O-CG 3.48Å; V51-L55 PolarHBondContact O-N 3.08Å; V51-A73 HydrophobicContact CB-CB 4.24Å; V51-A73 HydrophobicContact CG1-CB 3.72Å; V51-P294 HydrophobicContact CG2-CB 3.98Å; V51-P294 HydrophobicContact CG2-CG 4.14Å; V51-Y297 HydrophobicContact CG1-CD2 4.04Å; V51-Y297 HydrophobicContact CG1-CE2 3.99Å; V51-Y297 HydrophobicContact CG2-CD2 3.7Å; V51-Y297 HydrophobicContact CG2-CE2 4.21Å; V51-F304 HydrophobicContact CB-CE2 4.39Å; V51-F304 HydrophobicContact CB-CZ 4.28Å; V51-F304 HydrophobicContact CG1-CE2 4.36Å; V51-F304 HydrophobicContact CG2-CE1 4.4Å; V51-F304 HydrophobicContact CG2-CE2 4.08Å; V51-F304 HydrophobicContact CG2-CZ 3.57Å |
| 52 | I | 93.2 | Very high | 89.6 | Confident | 26 Ų | 26 | 59 Ų | 59 | 13% | 0.133 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.9 | -49.9 | 176.9 | -68.7 | 166.5 | 0 | 0 | 0 | 110.4 | N48 M49 I54 L55 I56 L70 A73 I74 | N48-I52 WeakPolarHBondContact O-CG1 3.18Å; N48-I52 PolarHBondContact O-N 3.46Å; M49-I52 PolarHBondContact O-N 3.5Å; M49-I52 HydrophobicContact SD-CD1 4.12Å; I52-I54 VanDerWaalsContact C-N 3.33Å; I52-I54 PolarHBondContact O-N 3.27Å; I52-L55 PolarHBondContact O-N 3.45Å; I52-I56 HydrophobicContact CG2-CD1 3.69Å; I52-I56 WeakPolarHBondContact O-CG1 3.28Å; I52-I56 PolarHBondContact O-N 3.25Å; I52-L70 HydrophobicContact CB-CD1 4.33Å; I52-L70 HydrophobicContact CG1-CD1 4.15Å; I52-L70 HydrophobicContact CG2-CD1 3.99Å; I52-A73 HydrophobicContact CG1-CB 3.89Å; I52-I74 HydrophobicContact CD1-CG1 4.1Å; I52-I74 HydrophobicContact CG1-CG1 4.44Å |
| 53 | L | 90.5 | Very high | 89.3 | Confident | 76 Ų | 76 | 56.3 Ų | 56.3 | 40% | 0.398 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.2 | -41.2 | -179.7 | -73.9 | 171.4 | 0 | 0 | 0 | 112.4 | M49 L50 V51 N57 F311 | M49-L53 WeakPolarHBondContact O-CB 3.39Å; M49-L53 VanDerWaalsContact O-CG 3.27Å; M49-L53 WeakPolarHBondContact O-CG 3.48Å; M49-L53 PolarHBondContact O-N 3.01Å; L50-L53 PolarHBondContact O-N 3.46Å; V51-L53 PolarHBondContact O-N 2.98Å; L53-N57 WeakPolarHBondContact O-CB 2.93Å; L53-N57 PolarHBondContact O-N 3.34Å; L53-N57 PolarHBondContact O-ND2 2.96Å; L53-F311 HydrophobicContact CB-CE2 4.49Å; L53-F311 HydrophobicContact CD1-CZ 4.33Å |
| 54 | I | 87.6 | Confident | 89.2 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68 | -42.5 | 178 | -73.4 | 169.8 | 0 | 0 | 0 | 111.1 | L50 V51 I52 I56 C58 K59 F304 Y307 L308 F311 | L50-I54 HydrophobicContact CD1-CD1 4.14Å; L50-I54 HydrophobicContact CD1-CG1 4.48Å; L50-I54 HydrophobicContact CG-CD1 4.02Å; L50-I54 WeakPolarHBondContact O-CB 3.4Å; L50-I54 VanDerWaalsContact O-CG1 3.3Å; L50-I54 WeakPolarHBondContact O-CG1 3.4Å; L50-I54 PolarHBondContact O-N 3.22Å; V51-I54 PolarHBondContact O-N 3.45Å; I52-I54 VanDerWaalsContact C-N 3.33Å; I52-I54 PolarHBondContact O-N 3.27Å; I54-I56 PolarHBondContact O-N 3.44Å; I54-C58 HydrophobicContact CG2-CB 4.29Å; I54-C58 WeakPolarHBondContact O-CA 3.47Å; I54-C58 VanDerWaalsContact O-CB 3.24Å; I54-C58 WeakPolarHBondContact O-CB 3.23Å; I54-C58 PolarHBondContact O-N 2.7Å; I54-K59 PolarHBondContact O-N 2.99Å; I54-K59 VanDerWaalsContact O-N 3.09Å; I54-F304 HydrophobicContact CB-CE2 4.01Å; I54-F304 HydrophobicContact CD1-CE1 4.49Å; I54-F304 HydrophobicContact CD1-CE2 3.79Å; I54-F304 HydrophobicContact CD1-CZ 3.72Å; I54-F304 HydrophobicContact CG2-CD2 3.99Å; I54-F304 HydrophobicContact CG2-CE2 3.77Å; I54-Y307 HydrophobicContact CG2-CG 4.35Å; I54-L308 HydrophobicContact CD1-CB 4.37Å; I54-L308 HydrophobicContact CD1-CD2 3.38Å; I54-L308 HydrophobicContact CD1-CG 3.59Å; I54-F311 HydrophobicContact CG1-CB 4.45Å; I54-F311 HydrophobicContact CG1-CG 4.46Å |
| 55 | L | 88.4 | Confident | 89 | Confident | 4 Ų | 4 | 51.2 Ų | 51.2 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.4 | -42.9 | -179.8 | -73.7 | 168.4 | 0 | 0 | 0 | 111.7 | V51 I52 K59 R60 L61 D66 L69 L70 | V51-L55 HydrophobicContact CG1-CD1 3.71Å; V51-L55 HydrophobicContact CG1-CG 4.36Å; V51-L55 WeakPolarHBondContact O-CB 3.42Å; V51-L55 VanDerWaalsContact O-CG 3.31Å; V51-L55 WeakPolarHBondContact O-CG 3.48Å; V51-L55 PolarHBondContact O-N 3.08Å; I52-L55 PolarHBondContact O-N 3.45Å; L55-K59 HydrophobicContact CD2-CD 3.81Å; L55-K59 CarbonylContact O-C 3.57Å; L55-R60 PolarHBondContact O-N 2.94Å; L55-L61 HydrophobicContact CB-CD2 4Å; L55-L61 PolarHBondContact O-N 2.7Å; L55-D66 HydrophobicContact CD2-CB 4.31Å; L55-L69 HydrophobicContact CD1-CB 4.07Å; L55-L69 HydrophobicContact CD2-CB 4.42Å; L55-L70 HydrophobicContact CD1-CB 4.12Å; L55-L70 HydrophobicContact CD1-CD1 4.48Å |
| 56 | I | 89.1 | Confident | 88.8 | Confident | 79 Ų | 79 | 48.5 Ų | 48.5 | 41% | 0.405 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -73.8 | -52.7 | 179.7 | -64.4 | 172.1 | 0 | 0 | 0 | 111.1 | I52 I54 R60 L61 L70 | I52-I56 HydrophobicContact CG2-CD1 3.69Å; I52-I56 WeakPolarHBondContact O-CG1 3.28Å; I52-I56 PolarHBondContact O-N 3.25Å; I54-I56 PolarHBondContact O-N 3.44Å; I56-R60 WeakPolarHBondContact O-CA 3.4Å; I56-R60 PolarHBondContact O-N 2.99Å; I56-L61 HydrophobicContact CG1-CD1 4.46Å; I56-L70 HydrophobicContact CD1-CD1 4.35Å; I56-L70 HydrophobicContact CG1-CD1 4.28Å |
| 57 | N | 83.8 | Confident | 88.8 | Confident | 91 Ų | 91 | 44.8 Ų | 44.8 | 49% | 0.487 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -87 | -32.3 | -167.9 | -61.8 | -49.5 | 0 | 0 | 0 | 114 | L53 | L53-N57 WeakPolarHBondContact O-CB 2.93Å; L53-N57 PolarHBondContact O-N 3.34Å; L53-N57 PolarHBondContact O-ND2 2.96Å |
| 58 | C | 81.6 | Confident | 88.9 | Confident | 37 Ų | 37 | 44.3 Ų | 44.3 | 25% | 0.25 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -41.7 | -175.2 | -56.2 | 0 | 0 | 0 | 0 | 112.4 | I54 Y307 | I54-C58 HydrophobicContact CG2-CB 4.29Å; I54-C58 WeakPolarHBondContact O-CA 3.47Å; I54-C58 VanDerWaalsContact O-CB 3.24Å; I54-C58 WeakPolarHBondContact O-CB 3.23Å; I54-C58 PolarHBondContact O-N 2.7Å; C58-Y307 HydrophobicContact CB-CD1 3.64Å; C58-Y307 HydrophobicContact CB-CE1 4.26Å; C58-Y307 HydrophobicContact CB-CG 4.16Å |
| 59 | K | 80.5 | Confident | 88.9 | Confident | 36 Ų | 36 | 45 Ų | 45 | 16% | 0.157 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -94.6 | -16.3 | -178.7 | -82 | -175.7 | 151.9 | -159 | 0 | 114.9 | I54 L55 L61 D66 Y307 | I54-K59 PolarHBondContact O-N 2.99Å; I54-K59 VanDerWaalsContact O-N 3.09Å; L55-K59 HydrophobicContact CD2-CD 3.81Å; L55-K59 CarbonylContact O-C 3.57Å; K59-L61 PolarHBondContact O-N 2.66Å; K59-D66 IonicContact NZ-OD1 3.24Å; K59-D66 PolarHBondContact NZ-OD1 3.09Å; K59-Y307 HydrophobicContact CD-CD2 4.32Å; K59-Y307 HydrophobicContact CD-CE2 4.06Å; K59-Y307 HydrophobicContact CG-CD2 3.92Å; K59-Y307 HydrophobicContact CG-CE1 4.37Å; K59-Y307 HydrophobicContact CG-CE2 3.52Å |
| 60 | R | 84.3 | Confident | 88.9 | Confident | 187 Ų | 187 | 42.9 Ų | 42.9 | 71% | 0.706 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 22.1 | 176.1 | -57.7 | 179.9 | 176.6 | -179.1 | -3.2 | 115.1 | L55 I56 E62 | L55-R60 PolarHBondContact O-N 2.94Å; I56-R60 WeakPolarHBondContact O-CA 3.4Å; I56-R60 PolarHBondContact O-N 2.99Å; R60-E62 HydrophobicContact CB-CG 4.25Å; R60-E62 PolarHBondContact O-N 2.88Å |
| 61 | L | 85.9 | Confident | 89.1 | Confident | 41 Ų | 41 | 42 Ų | 42 | 22% | 0.215 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 38.2 | 174.7 | -52.5 | 174.4 | 0 | 0 | 0 | 114.5 | L55 I56 K59 S63 D66 I67 L70 | L55-L61 HydrophobicContact CB-CD2 4Å; L55-L61 PolarHBondContact O-N 2.7Å; I56-L61 HydrophobicContact CG1-CD1 4.46Å; K59-L61 PolarHBondContact O-N 2.66Å; L61-S63 PolarHBondContact O-N 3.48Å; L61-D66 HydrophobicContact CD2-CB 4.31Å; L61-I67 HydrophobicContact CB-CD1 3.87Å; L61-I67 HydrophobicContact CD1-CD1 4.26Å; L61-I67 HydrophobicContact CG-CD1 4.48Å; L61-L70 HydrophobicContact CD1-CD2 3.68Å; L61-L70 HydrophobicContact CD2-CB 4.12Å; L61-L70 HydrophobicContact CD2-CD2 3.91Å; L61-L70 HydrophobicContact CG-CD2 4.46Å |
| 62 | E | 84.8 | Confident | 89.2 | Confident | 151 Ų | 151 | 42 Ų | 42 | 71% | 0.706 | 21% | 0.207 | S | C | * | . | trans | -71.4 | -9.7 | -173.7 | -65.4 | 179.6 | 165.5 | 0 | 0 | 114.2 | R60 | R60-E62 HydrophobicContact CB-CG 4.25Å; R60-E62 PolarHBondContact O-N 2.88Å | ||
| 63 | S | 87.3 | Confident | 89.3 | Confident | 38 Ų | 38 | 40.8 Ų | 40.8 | 27% | 0.266 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -131.4 | 152.2 | -177.8 | 79 | 0 | 0 | 0 | 0 | 113.2 | L61 T65 D66 I67 | L61-S63 PolarHBondContact O-N 3.48Å; S63-T65 PolarHBondContact O-N 3.08Å; S63-D66 PolarHBondContact O-N 3.43Å; S63-D66 PolarHBondContact OG-N 2.89Å; S63-D66 PolarHBondContact OG-OD2 3.37Å; S63-I67 PolarHBondContact O-N 2.66Å; S63-I67 VanDerWaalsContact O-N 3.15Å |
| 64 | M | 90.5 | Very high | 89.5 | Confident | 20 Ų | 20 | 39.8 Ų | 39.8 | 10% | 0.099 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -54.1 | -36.5 | 173.1 | -175.4 | -179.2 | -173.6 | 0 | 0 | 112.5 | D66 I67 Y68 E125 R140 | M64-D66 PolarHBondContact O-N 2.89Å; M64-I67 WeakPolarHBondContact O-CB 3.33Å; M64-I67 PolarHBondContact O-N 3.23Å; M64-Y68 HydrophobicContact CE-CE2 3.71Å; M64-Y68 WeakPolarHBondContact CE-OH 3.16Å; M64-Y68 HydrophobicContact CG-CD2 4.46Å; M64-Y68 HydrophobicContact CG-CE2 3.97Å; M64-Y68 PolarHBondContact O-N 2.91Å; M64-Y68 VanDerWaalsContact O-N 3.11Å; M64-Y68 HydrophobicContact SD-CE2 4.45Å; M64-E125 HydrophobicContact CG-CG 4.48Å; M64-E125 HydrophobicContact SD-CG 4.22Å; M64-R140 VanDerWaalsContact SD-CA 3.59Å; M64-R140 HydrophobicContact SD-CB 3.89Å; M64-R140 HydrophobicContact SD-CG 3.91Å |
| 65 | T | 89.9 | Confident | 89.9 | Confident | 4 Ų | 4 | 39.8 Ų | 39.8 | 3% | 0.025 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.8 | -42.3 | 174 | -46.5 | 0 | 0 | 0 | 0 | 111.5 | S63 I67 Y68 L69 L122 E125 R126 | S63-T65 PolarHBondContact O-N 3.08Å; T65-I67 VanDerWaalsContact C-N 3.27Å; T65-I67 PolarHBondContact O-N 3.34Å; T65-Y68 PolarHBondContact O-N 2.89Å; T65-L69 HydrophobicContact CG2-CD1 3.99Å; T65-L69 HydrophobicContact CG2-CG 4.24Å; T65-L69 WeakPolarHBondContact O-CB 3.4Å; T65-L69 WeakPolarHBondContact O-CG 3.41Å; T65-L69 PolarHBondContact O-N 3.1Å; T65-L122 HydrophobicContact CG2-CD2 3.61Å; T65-E125 PolarHBondContact OG1-OE1 3.06Å; T65-E125 PolarHBondContact OG1-OE2 3.42Å; T65-R126 VanDerWaalsContact OG1-CZ 3.23Å; T65-R126 PolarHBondContact OG1-NH1 3.5Å; T65-R126 VanDerWaalsContact OG1-NH1 3.09Å; T65-R126 PolarHBondContact OG1-NH2 2.85Å |
| 66 | D | 90.4 | Very high | 90.1 | Very high | 17 Ų | 17 | 40 Ų | 40 | 9% | 0.091 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.5 | -32.6 | -179.3 | -60.5 | -50.7 | 0 | 0 | 0 | 111.1 | L55 K59 L61 S63 M64 L70 | L55-D66 HydrophobicContact CD2-CB 4.31Å; K59-D66 IonicContact NZ-OD1 3.24Å; K59-D66 PolarHBondContact NZ-OD1 3.09Å; L61-D66 HydrophobicContact CD2-CB 4.31Å; S63-D66 PolarHBondContact O-N 3.43Å; S63-D66 PolarHBondContact OG-N 2.89Å; S63-D66 PolarHBondContact OG-OD2 3.37Å; M64-D66 PolarHBondContact O-N 2.89Å; D66-L70 WeakPolarHBondContact O-CB 3.34Å; D66-L70 PolarHBondContact O-N 3.12Å |
| 67 | I | 94.1 | Very high | 90.3 | Very high | 15 Ų | 15 | 36.8 Ų | 36.8 | 8% | 0.077 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.5 | -47.2 | 170.7 | -60.3 | -65.7 | 0 | 0 | 0 | 111.3 | L61 S63 M64 T65 L70 N71 V142 | L61-I67 HydrophobicContact CB-CD1 3.87Å; L61-I67 HydrophobicContact CD1-CD1 4.26Å; L61-I67 HydrophobicContact CG-CD1 4.48Å; S63-I67 PolarHBondContact O-N 2.66Å; S63-I67 VanDerWaalsContact O-N 3.15Å; M64-I67 WeakPolarHBondContact O-CB 3.33Å; M64-I67 PolarHBondContact O-N 3.23Å; T65-I67 VanDerWaalsContact C-N 3.27Å; T65-I67 PolarHBondContact O-N 3.34Å; I67-L70 WeakPolarHBondContact O-CB 3.28Å; I67-L70 PolarHBondContact O-N 3.28Å; I67-N71 PolarHBondContact O-N 3Å; I67-N71 PolarHBondContact O-ND2 3.34Å; I67-V142 HydrophobicContact CD1-CG1 4.21Å; I67-V142 HydrophobicContact CG1-CG1 4.2Å |
| 68 | Y | 94.8 | Very high | 90.6 | Very high | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.3 | -38.3 | 178.5 | -66 | -22.8 | 0 | 0 | 0 | 113.2 | M64 T65 L70 N71 L72 F118 L121 L122 E125 T148 | M64-Y68 HydrophobicContact CE-CE2 3.71Å; M64-Y68 WeakPolarHBondContact CE-OH 3.16Å; M64-Y68 HydrophobicContact CG-CD2 4.46Å; M64-Y68 HydrophobicContact CG-CE2 3.97Å; M64-Y68 PolarHBondContact O-N 2.91Å; M64-Y68 VanDerWaalsContact O-N 3.11Å; M64-Y68 HydrophobicContact SD-CE2 4.45Å; T65-Y68 PolarHBondContact O-N 2.89Å; Y68-L70 VanDerWaalsContact C-N 3.29Å; Y68-L70 PolarHBondContact O-N 3Å; Y68-N71 PolarHBondContact O-N 2.94Å; Y68-L72 WeakPolarHBondContact O-CB 3.4Å; Y68-L72 PolarHBondContact O-N 2.9Å; Y68-F118 HydrophobicContact CD1-CD1 4.09Å; Y68-F118 HydrophobicContact CD1-CE1 4.22Å; Y68-L121 HydrophobicContact CD2-CB 4.03Å; Y68-L121 HydrophobicContact CE1-CB 4.5Å; Y68-L121 HydrophobicContact CE1-CD1 4.03Å; Y68-L121 HydrophobicContact CE2-CB 3.8Å; Y68-L121 HydrophobicContact CG-CB 4.46Å; Y68-L122 HydrophobicContact CD2-CD2 4.33Å; Y68-E125 HydrophobicContact CD2-CB 4.42Å; Y68-E125 HydrophobicContact CE2-CB 4.17Å; Y68-E125 HydrophobicContact CE2-CG 4.49Å; Y68-T148 WeakPolarHBondContact CE1-OG1 3.22Å; Y68-T148 WeakPolarHBondContact OH-CB 3.26Å; Y68-T148 PolarHBondContact OH-OG1 3.46Å |
| 69 | L | 92.4 | Very high | 91 | Very high | 14 Ų | 14 | 34.4 Ų | 34.4 | 7% | 0.073 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63 | -37.3 | 172.7 | -72.1 | 171.9 | 0 | 0 | 0 | 111.7 | L55 T65 A73 L122 Y297 | L55-L69 HydrophobicContact CD1-CB 4.07Å; L55-L69 HydrophobicContact CD2-CB 4.42Å; T65-L69 HydrophobicContact CG2-CD1 3.99Å; T65-L69 HydrophobicContact CG2-CG 4.24Å; T65-L69 WeakPolarHBondContact O-CB 3.4Å; T65-L69 WeakPolarHBondContact O-CG 3.41Å; T65-L69 PolarHBondContact O-N 3.1Å; L69-A73 WeakPolarHBondContact O-CB 3.38Å; L69-A73 PolarHBondContact O-N 3.37Å; L69-L122 HydrophobicContact CD2-CD1 3.88Å; L69-L122 HydrophobicContact CD2-CD2 4.31Å; L69-L122 HydrophobicContact CG-CD1 4.49Å; L69-L122 HydrophobicContact CG-CD2 4.16Å; L69-Y297 HydrophobicContact CD2-CE1 3.96Å |
| 70 | L | 94.7 | Very high | 91.7 | Very high | 21 Ų | 21 | 32.7 Ų | 32.7 | 11% | 0.11 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.2 | -48 | 174.6 | 176.9 | 67.5 | 0 | 0 | 0 | 110.9 | I52 L55 I56 L61 D66 I67 Y68 L72 A73 I74 | I52-L70 HydrophobicContact CB-CD1 4.33Å; I52-L70 HydrophobicContact CG1-CD1 4.15Å; I52-L70 HydrophobicContact CG2-CD1 3.99Å; L55-L70 HydrophobicContact CD1-CB 4.12Å; L55-L70 HydrophobicContact CD1-CD1 4.48Å; I56-L70 HydrophobicContact CD1-CD1 4.35Å; I56-L70 HydrophobicContact CG1-CD1 4.28Å; L61-L70 HydrophobicContact CD1-CD2 3.68Å; L61-L70 HydrophobicContact CD2-CB 4.12Å; L61-L70 HydrophobicContact CD2-CD2 3.91Å; L61-L70 HydrophobicContact CG-CD2 4.46Å; D66-L70 WeakPolarHBondContact O-CB 3.34Å; D66-L70 PolarHBondContact O-N 3.12Å; I67-L70 WeakPolarHBondContact O-CB 3.28Å; I67-L70 PolarHBondContact O-N 3.28Å; Y68-L70 VanDerWaalsContact C-N 3.29Å; Y68-L70 PolarHBondContact O-N 3Å; L70-L72 VanDerWaalsContact C-N 3.32Å; L70-L72 PolarHBondContact O-N 3.05Å; L70-A73 CarbonylContact O-C 3.43Å; L70-A73 PolarHBondContact O-N 2.6Å; L70-I74 HydrophobicContact CD1-CD1 4.18Å; L70-I74 HydrophobicContact CG-CD1 3.9Å; L70-I74 VanDerWaalsContact O-CG1 3.3Å; L70-I74 WeakPolarHBondContact O-CG1 3.21Å; L70-I74 PolarHBondContact O-N 2.91Å |
| 71 | N | 96.4 | Very high | 92.1 | Very high | 20 Ų | 20 | 27.6 Ų | 27.6 | 11% | 0.107 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.7 | -37.1 | 179.5 | -77.4 | -81.9 | 0 | 0 | 0 | 112.3 | I67 Y68 I74 S75 F118 S149 W153 | I67-N71 PolarHBondContact O-N 3Å; I67-N71 PolarHBondContact O-ND2 3.34Å; Y68-N71 PolarHBondContact O-N 2.94Å; N71-I74 PolarHBondContact O-N 3.24Å; N71-S75 PolarHBondContact O-N 3.36Å; N71-F118 HydrophobicContact CB-CD1 3.74Å; N71-F118 HydrophobicContact CB-CD2 3.76Å; N71-F118 HydrophobicContact CB-CE1 3.43Å; N71-F118 VanDerWaalsContact CB-CE1 3.43Å; N71-F118 HydrophobicContact CB-CE2 3.49Å; N71-F118 VanDerWaalsContact CB-CE2 3.49Å; N71-F118 HydrophobicContact CB-CG 3.93Å; N71-F118 HydrophobicContact CB-CZ 3.32Å; N71-S149 PolarHBondContact ND2-OG 3.37Å; N71-W153 PolarHBondContact OD1-NE1 3.42Å |
| 72 | L | 93.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.9 | -46.6 | 171.8 | -178.1 | 58.6 | 0 | 0 | 0 | 111.2 | Y68 L70 I74 S75 D76 G115 F118 I119 L122 Y297 | Y68-L72 WeakPolarHBondContact O-CB 3.4Å; Y68-L72 PolarHBondContact O-N 2.9Å; L70-L72 VanDerWaalsContact C-N 3.32Å; L70-L72 PolarHBondContact O-N 3.05Å; L72-I74 PolarHBondContact O-N 3.4Å; L72-S75 VanDerWaalsContact O-CB 3.23Å; L72-S75 WeakPolarHBondContact O-CB 3.5Å; L72-S75 PolarHBondContact O-N 2.86Å; L72-S75 VanDerWaalsContact O-N 3.11Å; L72-D76 PolarHBondContact O-N 3.37Å; L72-G115 WeakPolarHBondContact CD1-O 3.49Å; L72-F118 HydrophobicContact CB-CB 4.12Å; L72-F118 HydrophobicContact CD1-CB 4.4Å; L72-I119 HydrophobicContact CD1-CD1 4.4Å; L72-I119 HydrophobicContact CD1-CG1 4.01Å; L72-I119 HydrophobicContact CD2-CG1 4.01Å; L72-L122 HydrophobicContact CD2-CD1 3.98Å; L72-Y297 WeakPolarHBondContact CD2-OH 3.36Å |
| 73 | A | 94.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.008 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -68 | -17.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114 | V51 I52 L69 L70 P77 | V51-A73 HydrophobicContact CB-CB 4.24Å; V51-A73 HydrophobicContact CG1-CB 3.72Å; I52-A73 HydrophobicContact CG1-CB 3.89Å; L69-A73 WeakPolarHBondContact O-CB 3.38Å; L69-A73 PolarHBondContact O-N 3.37Å; L70-A73 CarbonylContact O-C 3.43Å; L70-A73 PolarHBondContact O-N 2.6Å; A73-P77 WeakPolarHBondContact O-CD 3.47Å; A73-P77 VanDerWaalsContact O-CG 3.24Å; A73-P77 WeakPolarHBondContact O-CG 3.41Å |
| 74 | I | 94.8 | Very high | 93.2 | Very high | 55 Ų | 55 | 19.3 Ų | 19.3 | 28% | 0.282 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -85 | -32.3 | 170.8 | -70.1 | 166.9 | 0 | 0 | 0 | 111.3 | I52 L70 N71 L72 P77 F78 W153 | I52-I74 HydrophobicContact CD1-CG1 4.1Å; I52-I74 HydrophobicContact CG1-CG1 4.44Å; L70-I74 HydrophobicContact CD1-CD1 4.18Å; L70-I74 HydrophobicContact CG-CD1 3.9Å; L70-I74 VanDerWaalsContact O-CG1 3.3Å; L70-I74 WeakPolarHBondContact O-CG1 3.21Å; L70-I74 PolarHBondContact O-N 2.91Å; N71-I74 PolarHBondContact O-N 3.24Å; L72-I74 PolarHBondContact O-N 3.4Å; I74-P77 WeakPolarHBondContact O-CD 3.49Å; I74-F78 HydrophobicContact CG2-CD2 4.35Å; I74-F78 HydrophobicContact CG2-CE2 3.84Å; I74-F78 WeakPolarHBondContact O-CD2 3.18Å; I74-W153 HydrophobicContact CB-CZ2 4.42Å; I74-W153 HydrophobicContact CG2-CH2 4.13Å; I74-W153 HydrophobicContact CG2-CZ2 3.87Å |
| 75 | S | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.1 | -44.4 | 176.5 | -165.6 | 0 | 0 | 0 | 0 | 112.5 | N71 L72 F78 F79 G111 S114 G115 | N71-S75 PolarHBondContact O-N 3.36Å; L72-S75 VanDerWaalsContact O-CB 3.23Å; L72-S75 WeakPolarHBondContact O-CB 3.5Å; L72-S75 PolarHBondContact O-N 2.86Å; L72-S75 VanDerWaalsContact O-N 3.11Å; S75-F78 PolarHBondContact O-N 3.2Å; S75-F79 PolarHBondContact O-N 3.47Å; S75-G111 PolarHBondContact OG-O 3.21Å; S75-S114 PolarHBondContact OG-OG 2.79Å; S75-G115 WeakPolarHBondContact OG-CA 3.25Å; S75-G115 PolarHBondContact OG-N 3.42Å |
| 76 | D | 93.8 | Very high | 93.4 | Very high | 8 Ų | 8 | 22.5 Ų | 22.5 | 4% | 0.043 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.6 | -43.4 | -177.8 | -69.1 | -32.8 | 0 | 0 | 0 | 112.8 | N48 L72 F78 F79 L80 C290 N293 | N48-D76 WeakPolarHBondContact ND2-CB 3.38Å; N48-D76 PolarHBondContact OD1-OD2 3.03Å; L72-D76 PolarHBondContact O-N 3.37Å; D76-F78 PolarHBondContact O-N 3.49Å; D76-F79 WeakPolarHBondContact O-CB 3.4Å; D76-F79 PolarHBondContact O-N 3.22Å; D76-L80 HydrophobicContact CB-CD1 4.49Å; D76-L80 WeakPolarHBondContact O-CB 3.43Å; D76-L80 WeakPolarHBondContact O-CD1 3.43Å; D76-L80 VanDerWaalsContact O-CG 3.29Å; D76-L80 WeakPolarHBondContact O-CG 3.18Å; D76-L80 PolarHBondContact O-N 3.26Å; D76-C290 HydrophobicContact CB-CB 4.25Å; D76-N293 PolarHBondContact OD2-ND2 3.49Å |
| 77 | P | 92.9 | Very high | 93.5 | Very high | 11 Ų | 11 | 22 Ų | 22 | 7% | 0.071 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -55.1 | -41.4 | 170.6 | -32 | 35.3 | 0 | 0 | 0 | 115.2 | N48 M49 A73 I74 F79 L80 L81 | N48-P77 HydrophobicContact CB-CG 4.09Å; M49-P77 HydrophobicContact CE-CB 4.09Å; M49-P77 HydrophobicContact CE-CG 3.95Å; A73-P77 WeakPolarHBondContact O-CD 3.47Å; A73-P77 VanDerWaalsContact O-CG 3.24Å; A73-P77 WeakPolarHBondContact O-CG 3.41Å; I74-P77 WeakPolarHBondContact O-CD 3.49Å; P77-F79 PolarHBondContact O-N 3.1Å; P77-L80 PolarHBondContact O-N 2.99Å; P77-L81 WeakPolarHBondContact O-CB 3.32Å; P77-L81 VanDerWaalsContact O-CG 3.24Å; P77-L81 WeakPolarHBondContact O-CG 3.33Å; P77-L81 PolarHBondContact O-N 3.33Å |
| 78 | F | 91 | Very high | 93.5 | Very high | 72 Ų | 72 | 24.7 Ų | 24.7 | 32% | 0.316 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -59.3 | -40.4 | 176.7 | -76.1 | -55.6 | 0 | 0 | 0 | 111.5 | I74 S75 D76 L107 W153 | I74-F78 HydrophobicContact CG2-CD2 4.35Å; I74-F78 HydrophobicContact CG2-CE2 3.84Å; I74-F78 WeakPolarHBondContact O-CD2 3.18Å; S75-F78 PolarHBondContact O-N 3.2Å; D76-F78 PolarHBondContact O-N 3.49Å; F78-L107 HydrophobicContact CD1-CD2 3.72Å; F78-L107 HydrophobicContact CE1-CD2 4.34Å; F78-L107 HydrophobicContact CG-CD2 4.43Å; F78-W153 AromaticContact CD2-CH2 3.55Å; F78-W153 HydrophobicContact CD2-CH2 3.55Å; F78-W153 AromaticContact CD2-CZ3 3.77Å; F78-W153 HydrophobicContact CD2-CZ3 3.77Å; F78-W153 AromaticContact CE2-CH2 3.43Å; F78-W153 HydrophobicContact CE2-CH2 3.43Å; F78-W153 VanDerWaalsContact CE2-CH2 3.43Å; F78-W153 HydrophobicContact CE2-CZ2 4.29Å; F78-W153 AromaticContact CE2-CZ3 3.62Å; F78-W153 HydrophobicContact CE2-CZ3 3.62Å |
| 79 | F | 89.8 | Confident | 93.3 | Very high | 7 Ų | 7 | 27.6 Ų | 27.6 | 3% | 0.031 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.1 | -49.6 | 173.4 | -171.4 | -89.7 | 0 | 0 | 0 | 111.7 | S75 D76 P77 L81 T82 V83 Y108 W248 M287 C290 | S75-F79 PolarHBondContact O-N 3.47Å; D76-F79 WeakPolarHBondContact O-CB 3.4Å; D76-F79 PolarHBondContact O-N 3.22Å; P77-F79 PolarHBondContact O-N 3.1Å; F79-L81 VanDerWaalsContact C-N 3.32Å; F79-L81 PolarHBondContact O-N 3.27Å; F79-T82 WeakPolarHBondContact O-CB 3.1Å; F79-T82 PolarHBondContact O-N 3.29Å; F79-T82 PolarHBondContact O-OG1 3.36Å; F79-V83 HydrophobicContact CD1-CG2 4.27Å; F79-V83 HydrophobicContact CE1-CG2 4.3Å; F79-Y108 AromaticContact CD2-CD2 3.86Å; F79-Y108 HydrophobicContact CD2-CD2 3.86Å; F79-Y108 HydrophobicContact CD2-CE2 4.22Å; F79-Y108 HydrophobicContact CD2-CG 4.39Å; F79-Y108 AromaticContact CE2-CD2 3.29Å; F79-Y108 HydrophobicContact CE2-CD2 3.29Å; F79-Y108 AromaticContact CE2-CE2 3.21Å; F79-Y108 HydrophobicContact CE2-CE2 3.21Å; F79-Y108 HydrophobicContact CE2-CG 4.09Å; F79-Y108 AromaticContact CE2-CZ 3.94Å; F79-Y108 AromaticContact CZ-CD2 3.88Å; F79-Y108 HydrophobicContact CZ-CD2 3.88Å; F79-Y108 AromaticContact CZ-CE2 3.56Å; F79-Y108 HydrophobicContact CZ-CE2 3.56Å; F79-W248 HydrophobicContact CE2-CH2 4.22Å; F79-W248 HydrophobicContact CE2-CZ2 4.31Å; F79-W248 HydrophobicContact CZ-CH2 4.22Å; F79-W248 HydrophobicContact CZ-CZ2 4.22Å; F79-M287 HydrophobicContact CE1-CB 4.06Å; F79-M287 HydrophobicContact CE1-CG 4.18Å; F79-M287 HydrophobicContact CZ-CB 4.11Å; F79-M287 HydrophobicContact CZ-CG 3.81Å; F79-C290 HydrophobicContact CD1-CB 4.01Å |
| 80 | L | 93.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.8 | -36.8 | -178.1 | -76.3 | 161 | 0 | 0 | 0 | 113.2 | V40 F41 D76 P77 T82 V83 P84 C290 | V40-L80 HydrophobicContact CG1-CD2 4.16Å; V40-L80 WeakPolarHBondContact O-CD2 3.33Å; F41-L80 HydrophobicContact CD2-CB 4.4Å; F41-L80 VanDerWaalsContact CD2-O 3.28Å; F41-L80 WeakPolarHBondContact CD2-O 3.12Å; D76-L80 HydrophobicContact CB-CD1 4.49Å; D76-L80 WeakPolarHBondContact O-CB 3.43Å; D76-L80 WeakPolarHBondContact O-CD1 3.43Å; D76-L80 VanDerWaalsContact O-CG 3.29Å; D76-L80 WeakPolarHBondContact O-CG 3.18Å; D76-L80 PolarHBondContact O-N 3.26Å; P77-L80 PolarHBondContact O-N 2.99Å; L80-T82 PolarHBondContact O-N 3.44Å; L80-T82 VanDerWaalsContact O-N 3.13Å; L80-V83 WeakPolarHBondContact O-CB 3.18Å; L80-V83 PolarHBondContact O-N 2.96Å; L80-P84 VanDerWaalsContact O-CD 3.27Å; L80-P84 WeakPolarHBondContact O-CD 3.43Å; L80-C290 HydrophobicContact CD2-CB 4.49Å; L80-C290 WeakPolarHBondContact CD2-SG 3.35Å; L80-C290 HydrophobicContact CG-CB 4.26Å |
| 81 | L | 94 | Very high | 92.7 | Very high | 79 Ų | 79 | 29.5 Ų | 29.5 | 41% | 0.414 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -22.3 | 177.1 | -73.3 | 172 | 0 | 0 | 0 | 112.6 | F45 P77 F79 F85 | F45-L81 HydrophobicContact CE2-CD2 4.42Å; P77-L81 WeakPolarHBondContact O-CB 3.32Å; P77-L81 VanDerWaalsContact O-CG 3.24Å; P77-L81 WeakPolarHBondContact O-CG 3.33Å; P77-L81 PolarHBondContact O-N 3.33Å; F79-L81 VanDerWaalsContact C-N 3.32Å; F79-L81 PolarHBondContact O-N 3.27Å; L81-F85 WeakPolarHBondContact O-CD2 3.35Å; L81-F85 WeakPolarHBondContact O-CE2 3.48Å |
| 82 | T | 93.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -24 | 177.2 | 75.1 | 0 | 0 | 0 | 0 | 112.9 | F79 L80 F85 W86 S104 L107 | F79-T82 WeakPolarHBondContact O-CB 3.1Å; F79-T82 PolarHBondContact O-N 3.29Å; F79-T82 PolarHBondContact O-OG1 3.36Å; L80-T82 PolarHBondContact O-N 3.44Å; L80-T82 VanDerWaalsContact O-N 3.13Å; T82-F85 WeakPolarHBondContact O-CB 3.48Å; T82-F85 PolarHBondContact O-N 3.45Å; T82-W86 VanDerWaalsContact C-CD1 3.48Å; T82-W86 PolarHBondContact O-N 3.14Å; T82-W86 PolarHBondContact OG1-NE1 3.08Å; T82-W86 VanDerWaalsContact OG1-NE1 3.09Å; T82-S104 VanDerWaalsContact CG2-O 3.3Å; T82-S104 WeakPolarHBondContact CG2-O 3.02Å; T82-L107 HydrophobicContact CG2-CB 3.43Å; T82-L107 VanDerWaalsContact CG2-CB 3.43Å; T82-L107 HydrophobicContact CG2-CD1 4.31Å |
| 83 | V | 93.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.1 | -41.9 | -173.6 | 174.9 | 0 | 0 | 0 | 0 | 113.5 | F37 F41 F79 L80 F85 W86 A87 | F37-V83 HydrophobicContact CB-CG1 3.54Å; F37-V83 HydrophobicContact CD1-CG1 4.48Å; F37-V83 HydrophobicContact CG-CG1 3.96Å; F37-V83 WeakPolarHBondContact O-CG1 3.37Å; F41-V83 HydrophobicContact CB-CG1 4.42Å; F79-V83 HydrophobicContact CD1-CG2 4.27Å; F79-V83 HydrophobicContact CE1-CG2 4.3Å; L80-V83 WeakPolarHBondContact O-CB 3.18Å; L80-V83 PolarHBondContact O-N 2.96Å; V83-F85 VanDerWaalsContact C-N 3.28Å; V83-F85 PolarHBondContact O-N 3.24Å; V83-W86 PolarHBondContact O-N 3.46Å; V83-A87 WeakPolarHBondContact O-CB 3.39Å; V83-A87 PolarHBondContact O-N 3.28Å |
| 84 | P | 93.4 | Very high | 92.2 | Very high | 56 Ų | 56 | 33.2 Ų | 33.2 | 36% | 0.364 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -60 | -35.6 | 175.3 | -26.1 | 35.7 | 0 | 0 | 0 | 113.8 | F41 L80 A87 H88 | F41-P84 HydrophobicContact CD1-CG 4.49Å; F41-P84 HydrophobicContact CD2-CG 3.83Å; F41-P84 HydrophobicContact CE2-CG 3.95Å; F41-P84 HydrophobicContact CG-CG 4.11Å; F41-P84 HydrophobicContact CZ-CG 4.35Å; L80-P84 VanDerWaalsContact O-CD 3.27Å; L80-P84 WeakPolarHBondContact O-CD 3.43Å; P84-A87 WeakPolarHBondContact O-CB 3.27Å; P84-A87 PolarHBondContact O-N 2.96Å; P84-H88 PolarHBondContact O-N 2.88Å |
| 85 | F | 93.8 | Very high | 92.1 | Very high | 54 Ų | 54 | 34.7 Ų | 34.7 | 24% | 0.237 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69 | -41.7 | 177.5 | -59.7 | -86.5 | 0 | 0 | 0 | 111.1 | L81 T82 V83 A87 H88 Y89 W94 F96 M100 | L81-F85 WeakPolarHBondContact O-CD2 3.35Å; L81-F85 WeakPolarHBondContact O-CE2 3.48Å; T82-F85 WeakPolarHBondContact O-CB 3.48Å; T82-F85 PolarHBondContact O-N 3.45Å; V83-F85 VanDerWaalsContact C-N 3.28Å; V83-F85 PolarHBondContact O-N 3.24Å; F85-A87 VanDerWaalsContact C-N 3.32Å; F85-A87 PolarHBondContact O-N 3.37Å; F85-H88 PolarHBondContact O-N 2.97Å; F85-Y89 WeakPolarHBondContact O-CB 3.28Å; F85-Y89 PolarHBondContact O-N 3.3Å; F85-W94 HydrophobicContact CB-CH2 4.07Å; F85-W94 HydrophobicContact CB-CZ3 4.24Å; F85-F96 HydrophobicContact CB-CE2 4.29Å; F85-F96 AromaticContact CD1-CD1 3.9Å; F85-F96 HydrophobicContact CD1-CD1 3.9Å; F85-F96 AromaticContact CD1-CD2 3.83Å; F85-F96 HydrophobicContact CD1-CD2 3.83Å; F85-F96 AromaticContact CD1-CE1 3.87Å; F85-F96 HydrophobicContact CD1-CE1 3.87Å; F85-F96 AromaticContact CD1-CE2 3.8Å; F85-F96 HydrophobicContact CD1-CE2 3.8Å; F85-F96 AromaticContact CD1-CG 3.89Å; F85-F96 HydrophobicContact CD1-CG 3.89Å; F85-F96 AromaticContact CD1-CZ 3.82Å; F85-F96 HydrophobicContact CD1-CZ 3.82Å; F85-F96 AromaticContact CE1-CD1 4Å; F85-F96 HydrophobicContact CE1-CD1 4Å; F85-F96 HydrophobicContact CE1-CE1 4.08Å; F85-F96 HydrophobicContact CE1-CG 4.31Å; F85-F96 HydrophobicContact CE1-CZ 4.46Å; F85-M100 HydrophobicContact CD1-CG 4.12Å; F85-M100 HydrophobicContact CE1-CE 4.2Å; F85-M100 HydrophobicContact CE1-CG 3.9Å; F85-M100 HydrophobicContact CE1-SD 4.04Å; F85-M100 HydrophobicContact CZ-CE 4.31Å; F85-M100 HydrophobicContact CZ-CG 4.48Å; F85-M100 HydrophobicContact CZ-SD 4.06Å |
| 86 | W | 92.3 | Very high | 92 | Very high | 36 Ų | 36 | 38.4 Ų | 38.4 | 14% | 0.136 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.5 | -33.7 | 174.6 | -58.1 | 121.7 | 0 | 0 | 0 | 112.5 | F37 T82 V83 Y89 A90 W94 | F37-W86 HydrophobicContact CD2-CB 4.41Å; F37-W86 HydrophobicContact CE2-CB 4.2Å; T82-W86 VanDerWaalsContact C-CD1 3.48Å; T82-W86 PolarHBondContact O-N 3.14Å; T82-W86 PolarHBondContact OG1-NE1 3.08Å; T82-W86 VanDerWaalsContact OG1-NE1 3.09Å; V83-W86 PolarHBondContact O-N 3.46Å; W86-Y89 HydrophobicContact CE3-CD1 4.12Å; W86-Y89 HydrophobicContact CZ3-CD1 4.41Å; W86-Y89 PolarHBondContact O-N 3.41Å; W86-A90 WeakPolarHBondContact O-CB 3.38Å; W86-A90 PolarHBondContact O-N 3.34Å; W86-W94 HydrophobicContact CE3-CZ3 4.27Å; W86-W94 HydrophobicContact CZ3-CZ3 4.13Å |
| 87 | A | 91.8 | Very high | 92 | Very high | 8 Ų | 8 | 39.7 Ų | 39.7 | 7% | 0.066 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.9 | -47.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | F37 V83 P84 F85 A90 A91 | F37-A87 HydrophobicContact CB-CB 3.83Å; F37-A87 HydrophobicContact CD2-CB 4.02Å; F37-A87 HydrophobicContact CG-CB 4.47Å; V83-A87 WeakPolarHBondContact O-CB 3.39Å; V83-A87 PolarHBondContact O-N 3.28Å; P84-A87 WeakPolarHBondContact O-CB 3.27Å; P84-A87 PolarHBondContact O-N 2.96Å; F85-A87 VanDerWaalsContact C-N 3.32Å; F85-A87 PolarHBondContact O-N 3.37Å; A87-A90 PolarHBondContact O-N 3.15Å; A87-A91 PolarHBondContact O-N 2.88Å; A87-A91 VanDerWaalsContact O-N 3.14Å |
| 88 | H | 93.1 | Very high | 92.1 | Very high | 70 Ų | 70 | 42 Ų | 42 | 32% | 0.324 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.7 | -44.6 | 174.3 | -177 | 77.7 | 0 | 0 | 0 | 111.7 | P84 F85 A90 A91 A92 Q93 D95 F96 | P84-H88 PolarHBondContact O-N 2.88Å; F85-H88 PolarHBondContact O-N 2.97Å; H88-A90 VanDerWaalsContact C-N 3.3Å; H88-A90 PolarHBondContact O-N 2.79Å; H88-A91 PolarHBondContact O-N 2.98Å; H88-A91 VanDerWaalsContact O-N 3.11Å; H88-A92 PolarHBondContact O-N 3.18Å; H88-Q93 PolarHBondContact CD2-O 3.18Å; H88-D95 IonicContact CD2-OD2 3.82Å; H88-D95 IonicContact CE1-OD2 3.75Å; H88-D95 IonicContact NE2-OD2 2.82Å; H88-D95 PolarHBondContact NE2-OD2 2.82Å; H88-F96 HydrophobicContact CB-CE2 4.11Å; H88-F96 HydrophobicContact CB-CZ 3.99Å; H88-F96 AromaticContact CD2-CE2 3.59Å; H88-F96 AromaticContact CD2-CZ 3.64Å; H88-F96 AromaticContact CG-CZ 3.87Å |
| 89 | Y | 91.3 | Very high | 92.2 | Very high | 66 Ų | 66 | 44.1 Ų | 44.1 | 26% | 0.259 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -58.7 | -41.1 | 178 | 178.8 | -122.1 | 0 | 0 | 0 | 112.5 | F85 W86 A92 W94 | F85-Y89 WeakPolarHBondContact O-CB 3.28Å; F85-Y89 PolarHBondContact O-N 3.3Å; W86-Y89 HydrophobicContact CE3-CD1 4.12Å; W86-Y89 HydrophobicContact CZ3-CD1 4.41Å; W86-Y89 PolarHBondContact O-N 3.41Å; Y89-A92 CarbonylContact O-C 3.33Å; Y89-W94 HydrophobicContact CD2-CB 3.84Å; Y89-W94 HydrophobicContact CD2-CE3 4.01Å; Y89-W94 HydrophobicContact CE2-CB 4Å; Y89-W94 HydrophobicContact CG-CE3 4.03Å |
| 90 | A | 87.8 | Confident | 92.5 | Very high | 20 Ų | 20 | 46.7 Ų | 46.7 | 17% | 0.165 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.4 | -37.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A30 L33 W86 A87 H88 | A30-A90 VanDerWaalsContact CA-O 3.24Å; A30-A90 WeakPolarHBondContact CA-O 3.37Å; A30-A90 WeakPolarHBondContact CB-O 3.43Å; L33-A90 HydrophobicContact CB-CB 3.96Å; L33-A90 HydrophobicContact CD1-CB 3.9Å; W86-A90 WeakPolarHBondContact O-CB 3.38Å; W86-A90 PolarHBondContact O-N 3.34Å; A87-A90 PolarHBondContact O-N 3.15Å; H88-A90 VanDerWaalsContact C-N 3.3Å; H88-A90 PolarHBondContact O-N 2.79Å |
| 91 | A | 87.9 | Confident | 92.6 | Very high | 55 Ų | 55 | 46.7 Ų | 46.7 | 46% | 0.455 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -74.2 | -35.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | P34 A87 H88 | P34-A91 HydrophobicContact CG-CB 3.74Å; A87-A91 PolarHBondContact O-N 2.88Å; A87-A91 VanDerWaalsContact O-N 3.14Å; H88-A91 PolarHBondContact O-N 2.98Å; H88-A91 VanDerWaalsContact O-N 3.11Å |
| 92 | A | 89 | Confident | 92.6 | Very high | 47 Ų | 47 | 45.6 Ų | 45.6 | 39% | 0.388 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -135.3 | -103.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | H88 Y89 | H88-A92 PolarHBondContact O-N 3.18Å; Y89-A92 CarbonylContact O-C 3.33Å |
| 93 | Q | 89.9 | Confident | 92.7 | Very high | 50 Ų | 50 | 50.1 Ų | 50.1 | 23% | 0.234 | 28% | 0.281 | C | S | . | . | trans | -151.7 | 178.9 | -177.4 | 69.4 | -176.3 | 1.4 | 0 | 0 | 110 | H88 D95 H175 | H88-Q93 PolarHBondContact CD2-O 3.18Å; Q93-D95 WeakPolarHBondContact CG-OD1 3.39Å; Q93-D95 PolarHBondContact NE2-OD1 3.42Å; Q93-D95 PolarHBondContact O-N 3.5Å; Q93-H175 HydrophobicContact CB-CB 4.33Å; Q93-H175 PolarHBondContact OE1-ND1 2.99Å | ||
| 94 | W | 94.1 | Very high | 92.8 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.008 | 28% | 0.282 | C | S | . | . | trans | -85.9 | 95.8 | 178.6 | -169.7 | -91.1 | 0 | 0 | 0 | 112 | F85 W86 Y89 F96 G97 M100 C101 S169 Y176 C178 | F85-W94 HydrophobicContact CB-CH2 4.07Å; F85-W94 HydrophobicContact CB-CZ3 4.24Å; W86-W94 HydrophobicContact CE3-CZ3 4.27Å; W86-W94 HydrophobicContact CZ3-CZ3 4.13Å; Y89-W94 HydrophobicContact CD2-CB 3.84Å; Y89-W94 HydrophobicContact CD2-CE3 4.01Å; Y89-W94 HydrophobicContact CE2-CB 4Å; Y89-W94 HydrophobicContact CG-CE3 4.03Å; W94-F96 HydrophobicContact CD2-CD2 4.16Å; W94-F96 AromaticContact CE2-CD2 4Å; W94-F96 HydrophobicContact CE3-CD2 4.27Å; W94-F96 HydrophobicContact CH2-CD2 4.09Å; W94-F96 HydrophobicContact CZ2-CB 3.9Å; W94-F96 AromaticContact CZ2-CD2 3.94Å; W94-F96 HydrophobicContact CZ2-CD2 3.94Å; W94-F96 HydrophobicContact CZ2-CG 4.37Å; W94-F96 HydrophobicContact CZ3-CD2 4.25Å; W94-G97 PolarHBondContact NE1-O 3.38Å; W94-M100 HydrophobicContact CZ2-CB 4.17Å; W94-M100 HydrophobicContact CZ2-CG 4.2Å; W94-C101 HydrophobicContact CZ2-CB 3.8Å; W94-C101 VanDerWaalsContact CZ2-N 3.32Å; W94-S169 VanDerWaalsContact CD1-OG 3.26Å; W94-Y176 WeakPolarHBondContact CB-O 3.45Å; W94-Y176 PolarHBondContact N-O 2.95Å; W94-Y176 WeakPolarHBondContact O-CB 3.22Å; W94-C178 HydrophobicContact CB-CB 4.26Å; W94-C178 HydrophobicContact CD2-CB 3.47Å; W94-C178 VanDerWaalsContact CD2-CB 3.47Å; W94-C178 HydrophobicContact CE3-CB 3.63Å; W94-C178 HydrophobicContact CG-CB 3.72Å; W94-C178 HydrophobicContact CZ3-CB 4.25Å | ||
| 95 | D | 93.4 | Very high | 92.9 | Very high | 87 Ų | 87 | 47.9 Ų | 47.9 | 47% | 0.465 | 27% | 0.267 | S | S | . | . | trans | -94.4 | -2.1 | -177.6 | -60.4 | -51.2 | 0 | 0 | 0 | 114.3 | H88 Q93 | H88-D95 IonicContact CD2-OD2 3.82Å; H88-D95 IonicContact CE1-OD2 3.75Å; H88-D95 IonicContact NE2-OD2 2.82Å; H88-D95 PolarHBondContact NE2-OD2 2.82Å; Q93-D95 WeakPolarHBondContact CG-OD1 3.39Å; Q93-D95 PolarHBondContact NE2-OD1 3.42Å; Q93-D95 PolarHBondContact O-N 3.5Å | ||
| 96 | F | 93.4 | Very high | 93 | Very high | 77 Ų | 77 | 45.5 Ų | 45.5 | 34% | 0.338 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -91.4 | 1.9 | -170.3 | -50 | -77 | 0 | 0 | 0 | 114.6 | F85 H88 W94 M100 | F85-F96 HydrophobicContact CB-CE2 4.29Å; F85-F96 AromaticContact CD1-CD1 3.9Å; F85-F96 HydrophobicContact CD1-CD1 3.9Å; F85-F96 AromaticContact CD1-CD2 3.83Å; F85-F96 HydrophobicContact CD1-CD2 3.83Å; F85-F96 AromaticContact CD1-CE1 3.87Å; F85-F96 HydrophobicContact CD1-CE1 3.87Å; F85-F96 AromaticContact CD1-CE2 3.8Å; F85-F96 HydrophobicContact CD1-CE2 3.8Å; F85-F96 AromaticContact CD1-CG 3.89Å; F85-F96 HydrophobicContact CD1-CG 3.89Å; F85-F96 AromaticContact CD1-CZ 3.82Å; F85-F96 HydrophobicContact CD1-CZ 3.82Å; F85-F96 AromaticContact CE1-CD1 4Å; F85-F96 HydrophobicContact CE1-CD1 4Å; F85-F96 HydrophobicContact CE1-CE1 4.08Å; F85-F96 HydrophobicContact CE1-CG 4.31Å; F85-F96 HydrophobicContact CE1-CZ 4.46Å; H88-F96 HydrophobicContact CB-CE2 4.11Å; H88-F96 HydrophobicContact CB-CZ 3.99Å; H88-F96 AromaticContact CD2-CE2 3.59Å; H88-F96 AromaticContact CD2-CZ 3.64Å; H88-F96 AromaticContact CG-CZ 3.87Å; W94-F96 HydrophobicContact CD2-CD2 4.16Å; W94-F96 AromaticContact CE2-CD2 4Å; W94-F96 HydrophobicContact CE3-CD2 4.27Å; W94-F96 HydrophobicContact CH2-CD2 4.09Å; W94-F96 HydrophobicContact CZ2-CB 3.9Å; W94-F96 AromaticContact CZ2-CD2 3.94Å; W94-F96 HydrophobicContact CZ2-CD2 3.94Å; W94-F96 HydrophobicContact CZ2-CG 4.37Å; W94-F96 HydrophobicContact CZ3-CD2 4.25Å; F96-M100 HydrophobicContact CB-CB 3.6Å; F96-M100 HydrophobicContact CB-CG 3.72Å; F96-M100 HydrophobicContact CG-CG 4.39Å; F96-M100 VanDerWaalsContact O-CB 3.31Å; F96-M100 WeakPolarHBondContact O-CB 3.26Å |
| 97 | G | 93.6 | Very high | 93.2 | Very high | 36 Ų | 36 | 45.7 Ų | 45.7 | 37% | 0.371 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | 72.4 | 177.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | W94 C101 | W94-G97 PolarHBondContact NE1-O 3.38Å; G97-C101 PolarHBondContact O-N 2.88Å |
| 98 | N | 94.1 | Very high | 93.4 | Very high | 60 Ų | 60 | 45.9 Ų | 45.9 | 32% | 0.321 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.4 | -40 | -172.5 | -174.9 | 73.9 | 0 | 0 | 0 | 113.5 | M100 C101 Q102 R168 S169 | N98-M100 PolarHBondContact O-N 3.37Å; N98-C101 WeakPolarHBondContact O-CB 3.07Å; N98-C101 PolarHBondContact O-N 3.49Å; N98-C101 VanDerWaalsContact O-N 3.16Å; N98-Q102 PolarHBondContact ND2-OE1 2.9Å; N98-Q102 PolarHBondContact O-N 3.41Å; N98-R168 VanDerWaalsContact OD1-CA 3.28Å; N98-R168 WeakPolarHBondContact OD1-CA 3.47Å; N98-S169 PolarHBondContact OD1-N 2.77Å |
| 99 | T | 94.1 | Very high | 93.5 | Very high | 116 Ų | 116 | 43.5 Ų | 43.5 | 71% | 0.712 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -61.6 | -44.5 | -178.3 | -50.6 | 0 | 0 | 0 | 0 | 111.6 | C101 Q102 L103 | T99-C101 VanDerWaalsContact C-N 3.34Å; T99-Q102 PolarHBondContact O-N 3.49Å; T99-L103 WeakPolarHBondContact O-CB 3.13Å; T99-L103 PolarHBondContact O-N 3.5Å |
| 100 | M | 94.9 | Very high | 93.7 | Very high | 61 Ų | 61 | 41.7 Ų | 41.7 | 30% | 0.3 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -69.1 | -35.2 | 176.9 | -164.9 | 64 | 77.6 | 0 | 0 | 111.2 | F85 W94 F96 N98 Q102 L103 S104 | F85-M100 HydrophobicContact CD1-CG 4.12Å; F85-M100 HydrophobicContact CE1-CE 4.2Å; F85-M100 HydrophobicContact CE1-CG 3.9Å; F85-M100 HydrophobicContact CE1-SD 4.04Å; F85-M100 HydrophobicContact CZ-CE 4.31Å; F85-M100 HydrophobicContact CZ-CG 4.48Å; F85-M100 HydrophobicContact CZ-SD 4.06Å; W94-M100 HydrophobicContact CZ2-CB 4.17Å; W94-M100 HydrophobicContact CZ2-CG 4.2Å; F96-M100 HydrophobicContact CB-CB 3.6Å; F96-M100 HydrophobicContact CB-CG 3.72Å; F96-M100 HydrophobicContact CG-CG 4.39Å; F96-M100 VanDerWaalsContact O-CB 3.31Å; F96-M100 WeakPolarHBondContact O-CB 3.26Å; N98-M100 PolarHBondContact O-N 3.37Å; M100-Q102 VanDerWaalsContact C-N 3.33Å; M100-Q102 PolarHBondContact O-N 3.36Å; M100-L103 PolarHBondContact O-N 3.25Å; M100-L103 HydrophobicContact SD-CD2 4.05Å; M100-S104 WeakPolarHBondContact O-CB 3.3Å; M100-S104 PolarHBondContact O-N 3.48Å; M100-S104 PolarHBondContact O-OG 3.03Å; M100-S104 VanDerWaalsContact O-OG 3.05Å |
| 101 | C | 95.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.6 | -46.1 | 175.9 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | W94 G97 N98 T99 T105 T167 R168 C178 | W94-C101 HydrophobicContact CZ2-CB 3.8Å; W94-C101 VanDerWaalsContact CZ2-N 3.32Å; G97-C101 PolarHBondContact O-N 2.88Å; N98-C101 WeakPolarHBondContact O-CB 3.07Å; N98-C101 PolarHBondContact O-N 3.49Å; N98-C101 VanDerWaalsContact O-N 3.16Å; T99-C101 VanDerWaalsContact C-N 3.34Å; C101-T105 VanDerWaalsContact O-CB 3.23Å; C101-T105 WeakPolarHBondContact O-CB 3.37Å; C101-T105 PolarHBondContact O-N 2.91Å; C101-T105 PolarHBondContact O-OG1 3.5Å; C101-T167 WeakPolarHBondContact SG-CG2 3.27Å; C101-R168 VanDerWaalsContact SG-C 3.59Å; C101-C178 VanDerWaalsContact CA-SG 3.51Å; C101-C178 HydrophobicContact CB-CB 3.91Å; C101-C178 WeakPolarHBondContact CB-SG 3.09Å; C101-C178 VanDerWaalsContact SG-CA 3.53Å; C101-C178 WeakPolarHBondContact SG-CB 3.11Å; C101-C178 CovalentContact SG-SG 2.03Å; C101-C178 PolarHBondContact SG-SG 3.25Å |
| 102 | Q | 95.5 | Very high | 94.4 | Very high | 55 Ų | 55 | 39 Ų | 39 | 26% | 0.257 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.9 | -42 | 176.6 | -70.6 | -178.5 | -32.4 | 0 | 0 | 112.4 | N98 T99 M100 G106 I164 T167 | N98-Q102 PolarHBondContact ND2-OE1 2.9Å; N98-Q102 PolarHBondContact O-N 3.41Å; T99-Q102 PolarHBondContact O-N 3.49Å; M100-Q102 VanDerWaalsContact C-N 3.33Å; M100-Q102 PolarHBondContact O-N 3.36Å; Q102-G106 PolarHBondContact O-N 3.42Å; Q102-I164 HydrophobicContact CB-CG2 4.19Å; Q102-T167 WeakPolarHBondContact CG-O 3.26Å; Q102-T167 PolarHBondContact NE2-O 2.99Å |
| 103 | L | 95.3 | Very high | 94.7 | Very high | 96 Ų | 96 | 36.9 Ų | 36.9 | 50% | 0.503 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.2 | -50.4 | 178.6 | -178.6 | 62.2 | 0 | 0 | 0 | 112.2 | T99 M100 T105 G106 L107 | T99-L103 WeakPolarHBondContact O-CB 3.13Å; T99-L103 PolarHBondContact O-N 3.5Å; M100-L103 PolarHBondContact O-N 3.25Å; M100-L103 HydrophobicContact SD-CD2 4.05Å; L103-T105 VanDerWaalsContact C-N 3.3Å; L103-T105 PolarHBondContact O-N 3.3Å; L103-G106 PolarHBondContact O-N 2.91Å; L103-G106 VanDerWaalsContact O-N 3.14Å; L103-L107 HydrophobicContact CD1-CD1 4.37Å; L103-L107 HydrophobicContact CD1-CG 4.29Å; L103-L107 HydrophobicContact CG-CD1 4.27Å; L103-L107 WeakPolarHBondContact O-CG 3.33Å; L103-L107 PolarHBondContact O-N 3.5Å |
| 104 | S | 95.3 | Very high | 95.1 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.014 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.2 | -41.1 | 177.2 | -61.2 | 0 | 0 | 0 | 0 | 111.3 | T82 M100 Y108 | T82-S104 VanDerWaalsContact CG2-O 3.3Å; T82-S104 WeakPolarHBondContact CG2-O 3.02Å; M100-S104 WeakPolarHBondContact O-CB 3.3Å; M100-S104 PolarHBondContact O-N 3.48Å; M100-S104 PolarHBondContact O-OG 3.03Å; M100-S104 VanDerWaalsContact O-OG 3.05Å; S104-Y108 VanDerWaalsContact O-CB 3.27Å; S104-Y108 WeakPolarHBondContact O-CB 3.5Å; S104-Y108 PolarHBondContact O-N 2.94Å |
| 105 | T | 95.2 | Very high | 95.2 | Very high | 8 Ų | 8 | 34.7 Ų | 34.7 | 5% | 0.049 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.4 | -42.2 | 174.2 | -60.1 | 0 | 0 | 0 | 0 | 111.8 | C101 L103 Y108 F109 T167 | C101-T105 VanDerWaalsContact O-CB 3.23Å; C101-T105 WeakPolarHBondContact O-CB 3.37Å; C101-T105 PolarHBondContact O-N 2.91Å; C101-T105 PolarHBondContact O-OG1 3.5Å; L103-T105 VanDerWaalsContact C-N 3.3Å; L103-T105 PolarHBondContact O-N 3.3Å; T105-Y108 PolarHBondContact O-N 3.43Å; T105-F109 HydrophobicContact CG2-CD2 3.72Å; T105-F109 HydrophobicContact CG2-CE2 3.63Å; T105-F109 VanDerWaalsContact O-CD2 3.27Å; T105-F109 WeakPolarHBondContact O-CD2 3.48Å; T105-F109 PolarHBondContact O-N 3.1Å; T105-T167 HydrophobicContact CG2-CG2 4.15Å; T105-T167 WeakPolarHBondContact OG1-CG2 3.41Å |
| 106 | G | 95.9 | Very high | 95.3 | Very high | 4 Ų | 4 | 30.6 Ų | 30.6 | 4% | 0.041 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.9 | -49.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q102 L103 Y108 F109 I110 I164 | Q102-G106 PolarHBondContact O-N 3.42Å; L103-G106 PolarHBondContact O-N 2.91Å; L103-G106 VanDerWaalsContact O-N 3.14Å; G106-Y108 VanDerWaalsContact C-N 3.31Å; G106-Y108 PolarHBondContact O-N 3.28Å; G106-F109 PolarHBondContact O-N 3.21Å; G106-I110 VanDerWaalsContact O-CB 3.31Å; G106-I110 WeakPolarHBondContact O-CB 3.44Å; G106-I110 WeakPolarHBondContact O-CD1 3.35Å; G106-I110 WeakPolarHBondContact O-CG1 3.27Å; G106-I110 PolarHBondContact O-N 3.11Å; G106-I164 VanDerWaalsContact CA-CG1 3.46Å |
| 107 | L | 96.2 | Very high | 95.5 | Very high | 39 Ų | 39 | 28 Ų | 28 | 20% | 0.204 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.8 | -38.2 | 177.2 | -71 | 179.8 | 0 | 0 | 0 | 112.3 | F78 T82 L103 G111 | F78-L107 HydrophobicContact CD1-CD2 3.72Å; F78-L107 HydrophobicContact CE1-CD2 4.34Å; F78-L107 HydrophobicContact CG-CD2 4.43Å; T82-L107 HydrophobicContact CG2-CB 3.43Å; T82-L107 VanDerWaalsContact CG2-CB 3.43Å; T82-L107 HydrophobicContact CG2-CD1 4.31Å; L103-L107 HydrophobicContact CD1-CD1 4.37Å; L103-L107 HydrophobicContact CD1-CG 4.29Å; L103-L107 HydrophobicContact CG-CD1 4.27Å; L103-L107 WeakPolarHBondContact O-CG 3.33Å; L103-L107 PolarHBondContact O-N 3.5Å; L107-G111 PolarHBondContact O-N 2.83Å |
| 108 | Y | 95 | Very high | 95.7 | Very high | 13 Ų | 13 | 26.3 Ų | 26.3 | 5% | 0.051 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59 | -53.6 | 173.9 | 173.6 | -85.8 | 0 | 0 | 0 | 111.2 | F79 S104 T105 G106 G111 L112 M287 | F79-Y108 AromaticContact CD2-CD2 3.86Å; F79-Y108 HydrophobicContact CD2-CD2 3.86Å; F79-Y108 HydrophobicContact CD2-CE2 4.22Å; F79-Y108 HydrophobicContact CD2-CG 4.39Å; F79-Y108 AromaticContact CE2-CD2 3.29Å; F79-Y108 HydrophobicContact CE2-CD2 3.29Å; F79-Y108 AromaticContact CE2-CE2 3.21Å; F79-Y108 HydrophobicContact CE2-CE2 3.21Å; F79-Y108 HydrophobicContact CE2-CG 4.09Å; F79-Y108 AromaticContact CE2-CZ 3.94Å; F79-Y108 AromaticContact CZ-CD2 3.88Å; F79-Y108 HydrophobicContact CZ-CD2 3.88Å; F79-Y108 AromaticContact CZ-CE2 3.56Å; F79-Y108 HydrophobicContact CZ-CE2 3.56Å; S104-Y108 VanDerWaalsContact O-CB 3.27Å; S104-Y108 WeakPolarHBondContact O-CB 3.5Å; S104-Y108 PolarHBondContact O-N 2.94Å; T105-Y108 PolarHBondContact O-N 3.43Å; G106-Y108 VanDerWaalsContact C-N 3.31Å; G106-Y108 PolarHBondContact O-N 3.28Å; Y108-G111 PolarHBondContact O-N 3.25Å; Y108-L112 HydrophobicContact CE1-CD2 4.33Å; Y108-L112 WeakPolarHBondContact O-CB 3.18Å; Y108-L112 PolarHBondContact O-N 2.86Å; Y108-M287 HydrophobicContact CE2-CE 3.83Å |
| 109 | F | 95.3 | Very high | 95.7 | Very high | 19 Ų | 19 | 23.5 Ų | 23.5 | 8% | 0.083 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -70.3 | -37.6 | -178.6 | -78.7 | -61.8 | 0 | 0 | 0 | 112.9 | T105 G106 L112 F113 S160 I198 | T105-F109 HydrophobicContact CG2-CD2 3.72Å; T105-F109 HydrophobicContact CG2-CE2 3.63Å; T105-F109 VanDerWaalsContact O-CD2 3.27Å; T105-F109 WeakPolarHBondContact O-CD2 3.48Å; T105-F109 PolarHBondContact O-N 3.1Å; G106-F109 PolarHBondContact O-N 3.21Å; F109-L112 HydrophobicContact CD1-CD2 4.3Å; F109-L112 PolarHBondContact O-N 2.62Å; F109-F113 HydrophobicContact CB-CD2 4.2Å; F109-F113 HydrophobicContact CB-CE2 4.07Å; F109-F113 AromaticContact CD1-CE2 3.8Å; F109-F113 HydrophobicContact CD1-CE2 3.8Å; F109-F113 HydrophobicContact CD1-CZ 4.29Å; F109-F113 HydrophobicContact CG-CE2 4.28Å; F109-F113 WeakPolarHBondContact O-CB 3.46Å; F109-F113 WeakPolarHBondContact O-CD2 3.37Å; F109-F113 PolarHBondContact O-N 2.75Å; F109-S160 WeakPolarHBondContact CB-OG 3.48Å; F109-S160 PolarHBondContact O-OG 3.28Å; F109-I198 HydrophobicContact CE1-CD1 3.96Å; F109-I198 HydrophobicContact CE1-CG1 4.41Å; F109-I198 HydrophobicContact CZ-CD1 4.44Å |
| 110 | I | 96.7 | Very high | 95.8 | Very high | 28 Ų | 28 | 18.6 Ų | 18.6 | 14% | 0.144 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -59.1 | -53.5 | 175.7 | -73 | 166.7 | 0 | 0 | 0 | 108.4 | G106 L112 F113 S114 W153 V157 S160 | G106-I110 VanDerWaalsContact O-CB 3.31Å; G106-I110 WeakPolarHBondContact O-CB 3.44Å; G106-I110 WeakPolarHBondContact O-CD1 3.35Å; G106-I110 WeakPolarHBondContact O-CG1 3.27Å; G106-I110 PolarHBondContact O-N 3.11Å; I110-L112 VanDerWaalsContact C-N 3.3Å; I110-L112 PolarHBondContact O-N 3.4Å; I110-F113 PolarHBondContact O-N 2.99Å; I110-S114 WeakPolarHBondContact O-CB 3.13Å; I110-S114 PolarHBondContact O-N 2.9Å; I110-S114 PolarHBondContact O-OG 3.21Å; I110-W153 HydrophobicContact CG2-CE3 4.19Å; I110-W153 HydrophobicContact CG2-CZ3 3.71Å; I110-V157 HydrophobicContact CD1-CG2 4.07Å; I110-V157 HydrophobicContact CG1-CG2 4.26Å; I110-S160 WeakPolarHBondContact CA-OG 3.33Å; I110-S160 WeakPolarHBondContact CG1-OG 3.34Å; I110-S160 PolarHBondContact N-OG 3.47Å; I110-S160 VanDerWaalsContact N-OG 3.13Å |
| 111 | G | 95.4 | Very high | 95.9 | Very high | 3 Ų | 3 | 17.3 Ų | 17.3 | 3% | 0.031 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59.7 | -37.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S75 L107 Y108 G115 | S75-G111 PolarHBondContact OG-O 3.21Å; L107-G111 PolarHBondContact O-N 2.83Å; Y108-G111 PolarHBondContact O-N 3.25Å; G111-G115 PolarHBondContact O-N 3.08Å; G111-G115 VanDerWaalsContact O-N 3.08Å |
| 112 | L | 94.2 | Very high | 95.8 | Very high | 16 Ų | 16 | 17.3 Ų | 17.3 | 8% | 0.084 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64 | -52.9 | 175.5 | -179.2 | 64.9 | 0 | 0 | 0 | 112 | Y108 F109 I110 G115 I116 W248 | Y108-L112 HydrophobicContact CE1-CD2 4.33Å; Y108-L112 WeakPolarHBondContact O-CB 3.18Å; Y108-L112 PolarHBondContact O-N 2.86Å; F109-L112 HydrophobicContact CD1-CD2 4.3Å; F109-L112 PolarHBondContact O-N 2.62Å; I110-L112 VanDerWaalsContact C-N 3.3Å; I110-L112 PolarHBondContact O-N 3.4Å; L112-G115 PolarHBondContact O-N 3.04Å; L112-I116 PolarHBondContact O-N 3.02Å; L112-W248 HydrophobicContact CD1-CD2 4.02Å; L112-W248 HydrophobicContact CD1-CE3 3.99Å; L112-W248 HydrophobicContact CD1-CH2 3.5Å; L112-W248 HydrophobicContact CD1-CZ2 3.51Å; L112-W248 HydrophobicContact CD1-CZ3 3.74Å |
| 113 | F | 96.4 | Very high | 95.7 | Very high | 2 Ų | 2 | 14.7 Ų | 14.7 | 1% | 0.009 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -71.6 | -44.6 | -175.9 | -71.2 | -54.6 | 0 | 0 | 0 | 112.3 | F109 I110 G115 I116 F117 A156 A159 K197 I198 L201 | F109-F113 HydrophobicContact CB-CD2 4.2Å; F109-F113 HydrophobicContact CB-CE2 4.07Å; F109-F113 AromaticContact CD1-CE2 3.8Å; F109-F113 HydrophobicContact CD1-CE2 3.8Å; F109-F113 HydrophobicContact CD1-CZ 4.29Å; F109-F113 HydrophobicContact CG-CE2 4.28Å; F109-F113 WeakPolarHBondContact O-CB 3.46Å; F109-F113 WeakPolarHBondContact O-CD2 3.37Å; F109-F113 PolarHBondContact O-N 2.75Å; I110-F113 PolarHBondContact O-N 2.99Å; F113-G115 VanDerWaalsContact C-N 3.25Å; F113-G115 PolarHBondContact O-N 3.36Å; F113-I116 VanDerWaalsContact O-CG2 3.32Å; F113-I116 WeakPolarHBondContact O-CG2 3.38Å; F113-I116 PolarHBondContact O-N 2.91Å; F113-F117 HydrophobicContact CB-CD2 4.4Å; F113-F117 HydrophobicContact CB-CE2 3.95Å; F113-F117 HydrophobicContact CB-CZ 4.35Å; F113-F117 HydrophobicContact CD1-CZ 4.41Å; F113-F117 WeakPolarHBondContact O-CB 3.05Å; F113-F117 WeakPolarHBondContact O-CD2 3.48Å; F113-F117 WeakPolarHBondContact O-CG 3.32Å; F113-F117 PolarHBondContact O-N 3.28Å; F113-A156 HydrophobicContact CB-CB 4.09Å; F113-A159 HydrophobicContact CD1-CB 4.48Å; F113-A159 HydrophobicContact CD2-CB 3.74Å; F113-A159 HydrophobicContact CE2-CB 4.05Å; F113-A159 HydrophobicContact CG-CB 4.01Å; F113-K197 HydrophobicContact CZ-CD 4.5Å; F113-I198 HydrophobicContact CZ-CG1 4.34Å; F113-L201 HydrophobicContact CD1-CB 4.27Å; F113-L201 HydrophobicContact CD1-CD1 4.28Å; F113-L201 HydrophobicContact CE1-CB 4.03Å; F113-L201 HydrophobicContact CE1-CD1 3.99Å |
| 114 | S | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62.1 | -37.6 | 175.4 | 53 | 0 | 0 | 0 | 0 | 111.2 | S75 I110 F117 F118 W153 | S75-S114 PolarHBondContact OG-OG 2.79Å; I110-S114 WeakPolarHBondContact O-CB 3.13Å; I110-S114 PolarHBondContact O-N 2.9Å; I110-S114 PolarHBondContact O-OG 3.21Å; S114-F117 PolarHBondContact O-N 3.43Å; S114-F118 WeakPolarHBondContact O-CD2 3.23Å; S114-F118 PolarHBondContact O-N 3.43Å; S114-W153 WeakPolarHBondContact OG-CZ3 2.86Å |
| 115 | G | 95.8 | Very high | 95.4 | Very high | 7 Ų | 7 | 13.1 Ų | 13.1 | 7% | 0.072 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -57.6 | -54.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | L72 S75 G111 L112 F113 F117 F118 I119 | L72-G115 WeakPolarHBondContact CD1-O 3.49Å; S75-G115 WeakPolarHBondContact OG-CA 3.25Å; S75-G115 PolarHBondContact OG-N 3.42Å; G111-G115 PolarHBondContact O-N 3.08Å; G111-G115 VanDerWaalsContact O-N 3.08Å; L112-G115 PolarHBondContact O-N 3.04Å; F113-G115 VanDerWaalsContact C-N 3.25Å; F113-G115 PolarHBondContact O-N 3.36Å; G115-F117 PolarHBondContact O-N 3.43Å; G115-F118 PolarHBondContact O-N 2.94Å; G115-I119 WeakPolarHBondContact O-CG1 3.48Å; G115-I119 PolarHBondContact O-N 3.49Å; G115-I119 VanDerWaalsContact O-N 3.1Å |
| 116 | I | 96.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.005 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -67.8 | -36.7 | 179.5 | -170.8 | 50.4 | 0 | 0 | 0 | 112.8 | L112 F113 F118 I119 I120 P206 Y244 | L112-I116 PolarHBondContact O-N 3.02Å; F113-I116 VanDerWaalsContact O-CG2 3.32Å; F113-I116 WeakPolarHBondContact O-CG2 3.38Å; F113-I116 PolarHBondContact O-N 2.91Å; I116-F118 PolarHBondContact O-N 3.45Å; I116-I119 HydrophobicContact CD1-CB 4.31Å; I116-I119 HydrophobicContact CD1-CG2 4.41Å; I116-I119 PolarHBondContact O-N 3.43Å; I116-I120 HydrophobicContact CG1-CD1 4.15Å; I116-I120 WeakPolarHBondContact O-CG1 3.45Å; I116-I120 PolarHBondContact O-N 3.4Å; I116-P206 HydrophobicContact CD1-CB 3.6Å; I116-P206 HydrophobicContact CD1-CG 3.86Å; I116-P206 HydrophobicContact CG1-CB 4.04Å; I116-P206 HydrophobicContact CG1-CG 3.9Å; I116-Y244 HydrophobicContact CB-CE2 4.12Å; I116-Y244 HydrophobicContact CD1-CD1 3.66Å; I116-Y244 HydrophobicContact CD1-CD2 4.2Å; I116-Y244 HydrophobicContact CD1-CE1 3.3Å; I116-Y244 HydrophobicContact CD1-CE2 3.88Å; I116-Y244 HydrophobicContact CD1-CG 4.1Å; I116-Y244 VanDerWaalsContact CD1-CZ 3.42Å; I116-Y244 HydrophobicContact CG1-CE1 3.95Å; I116-Y244 HydrophobicContact CG1-CE2 4.3Å |
| 117 | F | 97.8 | Very high | 94.9 | Very high | 22 Ų | 22 | 16.9 Ų | 16.9 | 10% | 0.096 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -65.3 | -39.6 | 177.2 | -63.8 | -23.9 | 0 | 0 | 0 | 112.3 | F113 S114 G115 I120 L121 T152 V155 A156 L201 L205 | F113-F117 HydrophobicContact CB-CD2 4.4Å; F113-F117 HydrophobicContact CB-CE2 3.95Å; F113-F117 HydrophobicContact CB-CZ 4.35Å; F113-F117 HydrophobicContact CD1-CZ 4.41Å; F113-F117 WeakPolarHBondContact O-CB 3.05Å; F113-F117 WeakPolarHBondContact O-CD2 3.48Å; F113-F117 WeakPolarHBondContact O-CG 3.32Å; F113-F117 PolarHBondContact O-N 3.28Å; S114-F117 PolarHBondContact O-N 3.43Å; G115-F117 PolarHBondContact O-N 3.43Å; F117-I120 HydrophobicContact CD1-CD1 4.34Å; F117-I120 WeakPolarHBondContact O-CB 3.3Å; F117-I120 PolarHBondContact O-N 3.14Å; F117-L121 WeakPolarHBondContact O-CG 3.35Å; F117-L121 PolarHBondContact O-N 2.66Å; F117-T152 HydrophobicContact CB-CG2 3.49Å; F117-T152 VanDerWaalsContact CB-CG2 3.49Å; F117-T152 HydrophobicContact CD2-CG2 4.15Å; F117-T152 HydrophobicContact CG-CG2 4.3Å; F117-V155 HydrophobicContact CD2-CG1 4.46Å; F117-V155 HydrophobicContact CE2-CG1 3.8Å; F117-V155 HydrophobicContact CZ-CG1 4.33Å; F117-A156 HydrophobicContact CD2-CB 4.35Å; F117-A156 HydrophobicContact CE2-CB 4.44Å; F117-L201 HydrophobicContact CE1-CB 4.38Å; F117-L201 HydrophobicContact CE1-CD2 4.39Å; F117-L201 HydrophobicContact CZ-CD1 4.3Å; F117-L201 HydrophobicContact CZ-CD2 4.41Å; F117-L205 HydrophobicContact CE1-CD2 4.41Å |
| 118 | F | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -68.5 | -33.5 | 174.4 | -75.9 | -61.1 | 0 | 0 | 0 | 112.6 | Y68 N71 L72 S114 G115 I116 L121 L122 S149 T152 W153 | Y68-F118 HydrophobicContact CD1-CD1 4.09Å; Y68-F118 HydrophobicContact CD1-CE1 4.22Å; N71-F118 HydrophobicContact CB-CD1 3.74Å; N71-F118 HydrophobicContact CB-CD2 3.76Å; N71-F118 HydrophobicContact CB-CE1 3.43Å; N71-F118 VanDerWaalsContact CB-CE1 3.43Å; N71-F118 HydrophobicContact CB-CE2 3.49Å; N71-F118 VanDerWaalsContact CB-CE2 3.49Å; N71-F118 HydrophobicContact CB-CG 3.93Å; N71-F118 HydrophobicContact CB-CZ 3.32Å; L72-F118 HydrophobicContact CB-CB 4.12Å; L72-F118 HydrophobicContact CD1-CB 4.4Å; S114-F118 WeakPolarHBondContact O-CD2 3.23Å; S114-F118 PolarHBondContact O-N 3.43Å; G115-F118 PolarHBondContact O-N 2.94Å; I116-F118 PolarHBondContact O-N 3.45Å; F118-L121 HydrophobicContact CD1-CD1 4.06Å; F118-L121 HydrophobicContact CE1-CD1 4.21Å; F118-L121 PolarHBondContact O-N 3.24Å; F118-L122 WeakPolarHBondContact O-CB 3.49Å; F118-L122 VanDerWaalsContact O-CG 3.27Å; F118-L122 WeakPolarHBondContact O-CG 3.5Å; F118-L122 PolarHBondContact O-N 2.97Å; F118-S149 WeakPolarHBondContact CE1-OG 3.27Å; F118-T152 HydrophobicContact CD2-CG2 4.47Å; F118-T152 HydrophobicContact CE1-CG2 4.12Å; F118-T152 HydrophobicContact CE2-CG2 4.03Å; F118-T152 HydrophobicContact CZ-CG2 3.83Å; F118-W153 AromaticContact CE2-CE2 3.91Å; F118-W153 HydrophobicContact CE2-CZ2 4.13Å; F118-W153 AromaticContact CE2-NE1 3.83Å; F118-W153 AromaticContact CZ-NE1 3.71Å |
| 119 | I | 95.3 | Very high | 94.1 | Very high | 2 Ų | 2 | 17.7 Ų | 17.7 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.6 | -45.1 | 170.9 | -68.9 | 171.1 | 0 | 0 | 0 | 110.6 | L72 G115 I116 L122 T123 I240 M241 Y244 | L72-I119 HydrophobicContact CD1-CD1 4.4Å; L72-I119 HydrophobicContact CD1-CG1 4.01Å; L72-I119 HydrophobicContact CD2-CG1 4.01Å; G115-I119 WeakPolarHBondContact O-CG1 3.48Å; G115-I119 PolarHBondContact O-N 3.49Å; G115-I119 VanDerWaalsContact O-N 3.1Å; I116-I119 HydrophobicContact CD1-CB 4.31Å; I116-I119 HydrophobicContact CD1-CG2 4.41Å; I116-I119 PolarHBondContact O-N 3.43Å; I119-L122 WeakPolarHBondContact O-CB 3.34Å; I119-L122 PolarHBondContact O-N 3.28Å; I119-T123 PolarHBondContact O-N 3.14Å; I119-T123 PolarHBondContact O-OG1 3.39Å; I119-I240 HydrophobicContact CD1-CG2 4.04Å; I119-I240 HydrophobicContact CG1-CG2 3.98Å; I119-I240 HydrophobicContact CG2-CG2 4.49Å; I119-M241 HydrophobicContact CG2-CE 3.47Å; I119-M241 VanDerWaalsContact CG2-CE 3.47Å; I119-M241 HydrophobicContact CG2-SD 3.68Å; I119-Y244 HydrophobicContact CD1-CD2 4.01Å; I119-Y244 HydrophobicContact CD1-CG 4.27Å |
| 120 | I | 96.5 | Very high | 93.6 | Very high | 13 Ų | 13 | 17.5 Ų | 17.5 | 7% | 0.067 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.5 | -47.6 | 175.2 | -73.3 | 164.2 | 0 | 0 | 0 | 111.1 | I116 F117 L122 T123 I124 L205 P206 V209 | I116-I120 HydrophobicContact CG1-CD1 4.15Å; I116-I120 WeakPolarHBondContact O-CG1 3.45Å; I116-I120 PolarHBondContact O-N 3.4Å; F117-I120 HydrophobicContact CD1-CD1 4.34Å; F117-I120 WeakPolarHBondContact O-CB 3.3Å; F117-I120 PolarHBondContact O-N 3.14Å; I120-L122 VanDerWaalsContact C-N 3.33Å; I120-L122 PolarHBondContact O-N 3.08Å; I120-T123 WeakPolarHBondContact O-CB 3.45Å; I120-T123 PolarHBondContact O-N 3.2Å; I120-T123 VanDerWaalsContact O-N 3.12Å; I120-I124 HydrophobicContact CG2-CD1 3.74Å; I120-I124 HydrophobicContact CG2-CG1 4.43Å; I120-I124 WeakPolarHBondContact O-CG1 3.37Å; I120-I124 PolarHBondContact O-N 3.49Å; I120-L205 HydrophobicContact CD1-CD2 3.93Å; I120-L205 HydrophobicContact CD1-CG 3.97Å; I120-P206 HydrophobicContact CD1-CB 4.01Å; I120-P206 HydrophobicContact CG1-CB 3.98Å; I120-V209 HydrophobicContact CG2-CG1 4.23Å; I120-V209 HydrophobicContact CG2-CG2 4.05Å |
| 121 | L | 96.3 | Very high | 93.1 | Very high | 33 Ų | 33 | 18.1 Ų | 18.1 | 17% | 0.173 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.1 | -39 | 178.2 | -73.5 | 176.8 | 0 | 0 | 0 | 112.3 | Y68 F117 F118 T123 I124 E125 T152 | Y68-L121 HydrophobicContact CD2-CB 4.03Å; Y68-L121 HydrophobicContact CE1-CB 4.5Å; Y68-L121 HydrophobicContact CE1-CD1 4.03Å; Y68-L121 HydrophobicContact CE2-CB 3.8Å; Y68-L121 HydrophobicContact CG-CB 4.46Å; F117-L121 WeakPolarHBondContact O-CG 3.35Å; F117-L121 PolarHBondContact O-N 2.66Å; F118-L121 HydrophobicContact CD1-CD1 4.06Å; F118-L121 HydrophobicContact CE1-CD1 4.21Å; F118-L121 PolarHBondContact O-N 3.24Å; L121-T123 VanDerWaalsContact C-N 3.33Å; L121-T123 PolarHBondContact O-N 3.12Å; L121-I124 PolarHBondContact O-N 3.4Å; L121-E125 WeakPolarHBondContact O-CB 3.32Å; L121-E125 PolarHBondContact O-N 3.43Å; L121-T152 HydrophobicContact CD1-CG2 4.3Å; L121-T152 VanDerWaalsContact CD1-OG1 3.3Å; L121-T152 WeakPolarHBondContact CD1-OG1 3.36Å |
| 122 | L | 93.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.2 | -41.4 | 172.5 | -77.4 | 166.5 | 0 | 0 | 0 | 111.7 | T65 Y68 L69 L72 F118 I119 I120 R126 I237 | T65-L122 HydrophobicContact CG2-CD2 3.61Å; Y68-L122 HydrophobicContact CD2-CD2 4.33Å; L69-L122 HydrophobicContact CD2-CD1 3.88Å; L69-L122 HydrophobicContact CD2-CD2 4.31Å; L69-L122 HydrophobicContact CG-CD1 4.49Å; L69-L122 HydrophobicContact CG-CD2 4.16Å; L72-L122 HydrophobicContact CD2-CD1 3.98Å; F118-L122 WeakPolarHBondContact O-CB 3.49Å; F118-L122 VanDerWaalsContact O-CG 3.27Å; F118-L122 WeakPolarHBondContact O-CG 3.5Å; F118-L122 PolarHBondContact O-N 2.97Å; I119-L122 WeakPolarHBondContact O-CB 3.34Å; I119-L122 PolarHBondContact O-N 3.28Å; I120-L122 VanDerWaalsContact C-N 3.33Å; I120-L122 PolarHBondContact O-N 3.08Å; L122-R126 WeakPolarHBondContact O-CB 3.34Å; L122-R126 VanDerWaalsContact O-CG 3.28Å; L122-R126 WeakPolarHBondContact O-CG 3.37Å; L122-R126 PolarHBondContact O-N 3.03Å; L122-I237 HydrophobicContact CB-CD1 4.32Å; L122-I237 HydrophobicContact CB-CG2 4.26Å; L122-I237 HydrophobicContact CD1-CD1 4.48Å; L122-I237 HydrophobicContact CD2-CD1 4.35Å |
| 123 | T | 93.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.9 | -44.8 | 176.7 | -61.7 | 0 | 0 | 0 | 0 | 112 | I119 I120 L121 R126 Y127 V209 C213 Y214 M241 | I119-T123 PolarHBondContact O-N 3.14Å; I119-T123 PolarHBondContact O-OG1 3.39Å; I120-T123 WeakPolarHBondContact O-CB 3.45Å; I120-T123 PolarHBondContact O-N 3.2Å; I120-T123 VanDerWaalsContact O-N 3.12Å; L121-T123 VanDerWaalsContact C-N 3.33Å; L121-T123 PolarHBondContact O-N 3.12Å; T123-R126 PolarHBondContact O-N 3Å; T123-Y127 WeakPolarHBondContact O-CB 3.34Å; T123-Y127 PolarHBondContact O-N 3.03Å; T123-V209 HydrophobicContact CG2-CG1 4.02Å; T123-C213 HydrophobicContact CG2-CB 3.65Å; T123-Y214 HydrophobicContact CG2-CD2 4.44Å; T123-Y214 HydrophobicContact CG2-CE2 3.81Å; T123-M241 HydrophobicContact CG2-CE 4.34Å; T123-M241 WeakPolarHBondContact OG1-CE 3.46Å |
| 124 | I | 93.5 | Very high | 91.1 | Very high | 61 Ų | 61 | 30 Ų | 30 | 31% | 0.313 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -64.7 | -44.6 | 177.5 | -66 | 169.1 | 0 | 0 | 0 | 110.7 | I120 L121 R126 Y127 L128 V209 | I120-I124 HydrophobicContact CG2-CD1 3.74Å; I120-I124 HydrophobicContact CG2-CG1 4.43Å; I120-I124 WeakPolarHBondContact O-CG1 3.37Å; I120-I124 PolarHBondContact O-N 3.49Å; L121-I124 PolarHBondContact O-N 3.4Å; I124-R126 VanDerWaalsContact C-N 3.3Å; I124-R126 PolarHBondContact O-N 2.86Å; I124-Y127 WeakPolarHBondContact O-CB 3.37Å; I124-Y127 PolarHBondContact O-N 3.18Å; I124-L128 HydrophobicContact CG2-CD1 4.14Å; I124-L128 HydrophobicContact CG2-CG 4.37Å; I124-L128 WeakPolarHBondContact O-CG 3.36Å; I124-L128 PolarHBondContact O-N 3.07Å; I124-V209 HydrophobicContact CD1-CG1 4.46Å; I124-V209 HydrophobicContact CG1-CG1 3.95Å |
| 125 | E | 91.1 | Very high | 90.2 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.019 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.2 | -44.8 | 177 | 179.5 | -84.4 | 128.2 | 0 | 0 | 111.3 | M64 T65 Y68 L121 L128 A129 R140 | M64-E125 HydrophobicContact CG-CG 4.48Å; M64-E125 HydrophobicContact SD-CG 4.22Å; T65-E125 PolarHBondContact OG1-OE1 3.06Å; T65-E125 PolarHBondContact OG1-OE2 3.42Å; Y68-E125 HydrophobicContact CD2-CB 4.42Å; Y68-E125 HydrophobicContact CE2-CB 4.17Å; Y68-E125 HydrophobicContact CE2-CG 4.49Å; L121-E125 WeakPolarHBondContact O-CB 3.32Å; L121-E125 PolarHBondContact O-N 3.43Å; E125-L128 PolarHBondContact O-N 3.41Å; E125-A129 WeakPolarHBondContact O-CB 3.31Å; E125-A129 PolarHBondContact O-N 3.14Å; E125-R140 IonicContact OE1-CZ 3.01Å; E125-R140 IonicContact OE1-NE 2.78Å; E125-R140 PolarHBondContact OE1-NE 2.75Å; E125-R140 IonicContact OE1-NH2 2.6Å; E125-R140 PolarHBondContact OE1-NH2 2.93Å |
| 126 | R | 89.8 | Confident | 89.3 | Confident | 41 Ų | 41 | 36 Ų | 36 | 16% | 0.155 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67 | -40.2 | 176 | -72.4 | -66.6 | 169.4 | -125.9 | 5.7 | 112.9 | T65 L122 T123 I124 A129 V130 I237 | T65-R126 VanDerWaalsContact OG1-CZ 3.23Å; T65-R126 PolarHBondContact OG1-NH1 3.5Å; T65-R126 VanDerWaalsContact OG1-NH1 3.09Å; T65-R126 PolarHBondContact OG1-NH2 2.85Å; L122-R126 WeakPolarHBondContact O-CB 3.34Å; L122-R126 VanDerWaalsContact O-CG 3.28Å; L122-R126 WeakPolarHBondContact O-CG 3.37Å; L122-R126 PolarHBondContact O-N 3.03Å; T123-R126 PolarHBondContact O-N 3Å; I124-R126 VanDerWaalsContact C-N 3.3Å; I124-R126 PolarHBondContact O-N 2.86Å; R126-A129 PolarHBondContact O-N 3.32Å; R126-V130 WeakPolarHBondContact O-CG2 3.45Å; R126-V130 PolarHBondContact O-N 3.43Å; R126-V130 VanDerWaalsContact O-N 3.09Å; R126-I237 HydrophobicContact CG-CB 4.32Å; R126-I237 HydrophobicContact CG-CG1 3.72Å |
| 127 | Y | 90.2 | Very high | 88.3 | Confident | 50 Ų | 50 | 43.1 Ų | 43.1 | 20% | 0.196 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.6 | -50.6 | 174.5 | 172.1 | -99.9 | 0 | 0 | 0 | 111.3 | T123 I124 A129 V130 V131 H132 C213 I217 | T123-Y127 WeakPolarHBondContact O-CB 3.34Å; T123-Y127 PolarHBondContact O-N 3.03Å; I124-Y127 WeakPolarHBondContact O-CB 3.37Å; I124-Y127 PolarHBondContact O-N 3.18Å; Y127-A129 VanDerWaalsContact C-N 3.32Å; Y127-A129 PolarHBondContact O-N 3.43Å; Y127-V130 PolarHBondContact O-N 3.42Å; Y127-V130 VanDerWaalsContact O-N 3.17Å; Y127-V131 HydrophobicContact CD2-CB 4.3Å; Y127-V131 HydrophobicContact CD2-CG2 3.7Å; Y127-V131 HydrophobicContact CE2-CB 4Å; Y127-V131 HydrophobicContact CE2-CG1 4.2Å; Y127-V131 HydrophobicContact CE2-CG2 3.58Å; Y127-V131 HydrophobicContact CG-CG2 4.49Å; Y127-V131 WeakPolarHBondContact O-CB 3.44Å; Y127-V131 PolarHBondContact O-N 2.92Å; Y127-H132 AromaticContact CE1-CD2 3.74Å; Y127-H132 AromaticContact CE1-NE2 3.86Å; Y127-C213 HydrophobicContact CD2-CB 3.98Å; Y127-C213 WeakPolarHBondContact CD2-O 3.45Å; Y127-C213 HydrophobicContact CG-CB 4.14Å; Y127-I217 HydrophobicContact CD2-CG1 4.24Å |
| 128 | L | 89.3 | Confident | 87.3 | Confident | 42 Ų | 42 | 50.4 Ų | 50.4 | 22% | 0.22 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.9 | -43.2 | 178.1 | -68 | 175.4 | 0 | 0 | 0 | 111.5 | I124 E125 V130 H132 F135 | I124-L128 HydrophobicContact CG2-CD1 4.14Å; I124-L128 HydrophobicContact CG2-CG 4.37Å; I124-L128 WeakPolarHBondContact O-CG 3.36Å; I124-L128 PolarHBondContact O-N 3.07Å; E125-L128 PolarHBondContact O-N 3.41Å; L128-V130 VanDerWaalsContact C-N 3.28Å; L128-V130 PolarHBondContact O-N 2.95Å; L128-H132 HydrophobicContact CD2-CB 4.45Å; L128-H132 CarbonylContact O-C 3.55Å; L128-H132 WeakPolarHBondContact O-CA 3.3Å; L128-H132 PolarHBondContact O-N 2.9Å; L128-F135 HydrophobicContact CD2-CD1 4.33Å; L128-F135 HydrophobicContact CD2-CE1 4.48Å |
| 129 | A | 86.6 | Confident | 86.4 | Confident | 27 Ų | 27 | 51.5 Ų | 51.5 | 22% | 0.223 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.3 | -32.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | E125 R126 Y127 | E125-A129 WeakPolarHBondContact O-CB 3.31Å; E125-A129 PolarHBondContact O-N 3.14Å; R126-A129 PolarHBondContact O-N 3.32Å; Y127-A129 VanDerWaalsContact C-N 3.32Å; Y127-A129 PolarHBondContact O-N 3.43Å |
| 130 | V | 84.5 | Confident | 85.9 | Confident | 15 Ų | 15 | 55.2 Ų | 55.2 | 9% | 0.091 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -92.2 | -45.4 | -176.4 | 174.2 | 0 | 0 | 0 | 0 | 112.3 | R126 Y127 L128 I217 T220 R230 V234 | R126-V130 WeakPolarHBondContact O-CG2 3.45Å; R126-V130 PolarHBondContact O-N 3.43Å; R126-V130 VanDerWaalsContact O-N 3.09Å; Y127-V130 PolarHBondContact O-N 3.42Å; Y127-V130 VanDerWaalsContact O-N 3.17Å; L128-V130 VanDerWaalsContact C-N 3.28Å; L128-V130 PolarHBondContact O-N 2.95Å; V130-I217 HydrophobicContact CB-CG1 4.34Å; V130-I217 HydrophobicContact CG1-CG1 4.4Å; V130-I217 HydrophobicContact CG1-CG2 4.31Å; V130-T220 HydrophobicContact CG1-CG2 4.07Å; V130-R230 HydrophobicContact CG2-CG 3.87Å; V130-V234 HydrophobicContact CG2-CG2 4.09Å |
| 131 | V | 86.5 | Confident | 85.5 | Confident | 40 Ų | 40 | 57.2 Ų | 57.2 | 24% | 0.242 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -91.7 | -33.9 | -171.6 | -177.4 | 0 | 0 | 0 | 0 | 111.7 | Y127 I217 | Y127-V131 HydrophobicContact CD2-CB 4.3Å; Y127-V131 HydrophobicContact CD2-CG2 3.7Å; Y127-V131 HydrophobicContact CE2-CB 4Å; Y127-V131 HydrophobicContact CE2-CG1 4.2Å; Y127-V131 HydrophobicContact CE2-CG2 3.58Å; Y127-V131 HydrophobicContact CG-CG2 4.49Å; Y127-V131 WeakPolarHBondContact O-CB 3.44Å; Y127-V131 PolarHBondContact O-N 2.92Å; V131-I217 HydrophobicContact CG2-CG1 4.42Å |
| 132 | H | 84.7 | Confident | 85.2 | Confident | 86 Ų | 86 | 58.4 Ų | 58.4 | 40% | 0.398 | 31% | 0.307 | S | S | . | . | trans | -123.1 | 51.4 | -175.4 | -62 | -70 | 0 | 0 | 0 | 112 | Y127 L128 V134 F135 A136 | Y127-H132 AromaticContact CE1-CD2 3.74Å; Y127-H132 AromaticContact CE1-NE2 3.86Å; L128-H132 HydrophobicContact CD2-CB 4.45Å; L128-H132 CarbonylContact O-C 3.55Å; L128-H132 WeakPolarHBondContact O-CA 3.3Å; L128-H132 PolarHBondContact O-N 2.9Å; H132-V134 VanDerWaalsContact C-N 3.27Å; H132-V134 PolarHBondContact O-N 2.89Å; H132-V134 VanDerWaalsContact O-N 3.11Å; H132-F135 HydrophobicContact CB-CB 4.28Å; H132-F135 PolarHBondContact O-N 3.13Å; H132-F135 VanDerWaalsContact O-N 3.09Å; H132-A136 WeakPolarHBondContact O-CB 3.28Å; H132-A136 PolarHBondContact O-N 2.7Å | ||
| 133 | A | 79.8 | Confident | 85.1 | Confident | 57 Ų | 57 | 63.3 Ų | 63.3 | 47% | 0.471 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -53 | -36.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | A136 L137 | A133-A136 WeakPolarHBondContact O-CB 3.43Å; A133-A136 PolarHBondContact O-N 3.49Å; A133-L137 PolarHBondContact O-N 3.13Å |
| 134 | V | 78.3 | Confident | 85 | Confident | 127 Ų | 127 | 68.7 Ų | 68.7 | 77% | 0.77 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -69.2 | -45 | 179 | -179.1 | 0 | 0 | 0 | 0 | 111.7 | H132 A136 L137 | H132-V134 VanDerWaalsContact C-N 3.27Å; H132-V134 PolarHBondContact O-N 2.89Å; H132-V134 VanDerWaalsContact O-N 3.11Å; V134-A136 VanDerWaalsContact C-N 3.32Å; V134-L137 PolarHBondContact O-N 2.88Å |
| 135 | F | 77.9 | Confident | 85 | Confident | 129 Ų | 129 | 65.8 Ų | 65.8 | 57% | 0.566 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -66.4 | -38.1 | 175.8 | 178 | -100.4 | 0 | 0 | 0 | 111.5 | L128 H132 L137 K138 A139 | L128-F135 HydrophobicContact CD2-CD1 4.33Å; L128-F135 HydrophobicContact CD2-CE1 4.48Å; H132-F135 HydrophobicContact CB-CB 4.28Å; H132-F135 PolarHBondContact O-N 3.13Å; H132-F135 VanDerWaalsContact O-N 3.09Å; F135-L137 VanDerWaalsContact C-N 3.25Å; F135-L137 PolarHBondContact O-N 3.31Å; F135-K138 PolarHBondContact O-N 2.75Å; F135-K138 VanDerWaalsContact O-N 3.09Å; F135-A139 HydrophobicContact CD1-CB 4.08Å; F135-A139 HydrophobicContact CE1-CB 3.63Å; F135-A139 HydrophobicContact CZ-CB 3.95Å; F135-A139 PolarHBondContact O-N 2.85Å; F135-A139 VanDerWaalsContact O-N 3.08Å |
| 136 | A | 76.8 | Confident | 85.2 | Confident | 4 Ų | 4 | 69 Ų | 69 | 3% | 0.033 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.2 | -32 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | H132 A133 V134 K138 R140 | H132-A136 WeakPolarHBondContact O-CB 3.28Å; H132-A136 PolarHBondContact O-N 2.7Å; A133-A136 WeakPolarHBondContact O-CB 3.43Å; A133-A136 PolarHBondContact O-N 3.49Å; V134-A136 VanDerWaalsContact C-N 3.32Å; A136-K138 VanDerWaalsContact C-N 3.28Å; A136-K138 PolarHBondContact O-N 2.63Å; A136-R140 HydrophobicContact CB-CG 4.43Å; A136-R140 VanDerWaalsContact O-CB 3.27Å; A136-R140 WeakPolarHBondContact O-CB 3.35Å; A136-R140 WeakPolarHBondContact O-CG 2.96Å; A136-R140 PolarHBondContact O-N 3.3Å; A136-R140 VanDerWaalsContact O-N 3.08Å |
| 137 | L | 76.6 | Confident | 85.5 | Confident | 152 Ų | 152 | 70.7 Ų | 70.7 | 80% | 0.796 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -61.9 | -34.4 | 175.8 | -75.6 | 161.5 | 0 | 0 | 0 | 112.7 | A133 V134 F135 | A133-L137 PolarHBondContact O-N 3.13Å; V134-L137 PolarHBondContact O-N 2.88Å; F135-L137 VanDerWaalsContact C-N 3.25Å; F135-L137 PolarHBondContact O-N 3.31Å |
| 138 | K | 76.6 | Confident | 85.8 | Confident | 175 Ų | 175 | 70.2 Ų | 70.2 | 76% | 0.761 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -88.7 | -34.7 | -179.9 | -169.6 | 176.4 | -179.9 | 179.6 | 0 | 112.7 | F135 A136 | F135-K138 PolarHBondContact O-N 2.75Å; F135-K138 VanDerWaalsContact O-N 3.09Å; A136-K138 VanDerWaalsContact C-N 3.28Å; A136-K138 PolarHBondContact O-N 2.63Å |
| 139 | A | 76.9 | Confident | 86.2 | Confident | 23 Ų | 23 | 68.4 Ų | 68.4 | 19% | 0.19 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -90.2 | -22 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | F135 T141 | F135-A139 HydrophobicContact CD1-CB 4.08Å; F135-A139 HydrophobicContact CE1-CB 3.63Å; F135-A139 HydrophobicContact CZ-CB 3.95Å; F135-A139 PolarHBondContact O-N 2.85Å; F135-A139 VanDerWaalsContact O-N 3.08Å; A139-T141 VanDerWaalsContact C-N 3.32Å; A139-T141 PolarHBondContact O-N 3.34Å |
| 140 | R | 84.9 | Confident | 86.7 | Confident | 80 Ų | 80 | 71.2 Ų | 71.2 | 30% | 0.302 | 39% | 0.387 | S | S | . | . | trans | -93.5 | 43.8 | -174 | -65.2 | 168.9 | 64.6 | -128.1 | -5.4 | 113.8 | M64 E125 A136 | M64-R140 VanDerWaalsContact SD-CA 3.59Å; M64-R140 HydrophobicContact SD-CB 3.89Å; M64-R140 HydrophobicContact SD-CG 3.91Å; E125-R140 IonicContact OE1-CZ 3.01Å; E125-R140 IonicContact OE1-NE 2.78Å; E125-R140 PolarHBondContact OE1-NE 2.75Å; E125-R140 IonicContact OE1-NH2 2.6Å; E125-R140 PolarHBondContact OE1-NH2 2.93Å; A136-R140 HydrophobicContact CB-CG 4.43Å; A136-R140 VanDerWaalsContact O-CB 3.27Å; A136-R140 WeakPolarHBondContact O-CB 3.35Å; A136-R140 WeakPolarHBondContact O-CG 2.96Å; A136-R140 PolarHBondContact O-N 3.3Å; A136-R140 VanDerWaalsContact O-N 3.08Å | ||
| 141 | T | 88 | Confident | 87.4 | Confident | 54 Ų | 54 | 75.1 Ų | 75.1 | 33% | 0.331 | 41% | 0.407 | S | S | . | . | trans | -81.1 | 155 | 174.7 | 71.9 | 0 | 0 | 0 | 0 | 111 | A139 T143 F144 G145 | A139-T141 VanDerWaalsContact C-N 3.32Å; A139-T141 PolarHBondContact O-N 3.34Å; T141-T143 PolarHBondContact O-N 2.92Å; T141-F144 HydrophobicContact CG2-CD2 4.42Å; T141-F144 PolarHBondContact O-N 2.93Å; T141-F144 WeakPolarHBondContact OG1-CD2 3.46Å; T141-F144 PolarHBondContact OG1-N 3.2Å; T141-G145 PolarHBondContact O-N 3.49Å | ||
| 142 | V | 89.9 | Confident | 87.9 | Confident | 59 Ų | 59 | 74 Ų | 74 | 36% | 0.358 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.2 | -38.1 | 176.1 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | I67 F144 G145 V146 | I67-V142 HydrophobicContact CD1-CG1 4.21Å; I67-V142 HydrophobicContact CG1-CG1 4.2Å; V142-F144 PolarHBondContact O-N 3.44Å; V142-G145 CarbonylContact O-C 3.52Å; V142-G145 WeakPolarHBondContact O-CA 3.23Å; V142-G145 PolarHBondContact O-N 3.04Å; V142-G145 VanDerWaalsContact O-N 3.1Å; V142-V146 HydrophobicContact CG1-CG2 4.39Å; V142-V146 WeakPolarHBondContact O-CG2 3.18Å; V142-V146 PolarHBondContact O-N 3.01Å |
| 143 | T | 91.6 | Very high | 88.6 | Confident | 103 Ų | 103 | 72.1 Ų | 72.1 | 63% | 0.632 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -58.9 | -47.5 | 177.2 | -46.4 | 0 | 0 | 0 | 0 | 112.2 | T141 G145 V146 V147 | T141-T143 PolarHBondContact O-N 2.92Å; T143-G145 VanDerWaalsContact C-N 3.3Å; T143-G145 PolarHBondContact O-N 3.21Å; T143-V146 PolarHBondContact O-N 3.32Å; T143-V147 WeakPolarHBondContact O-CG2 3.36Å; T143-V147 PolarHBondContact O-N 2.69Å |
| 144 | F | 91.8 | Very high | 89.5 | Confident | 114 Ų | 114 | 72.9 Ų | 72.9 | 50% | 0.5 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.7 | -37.7 | 174.7 | -78.4 | -62.4 | 0 | 0 | 0 | 111.7 | T141 V142 V146 V147 T148 | T141-F144 HydrophobicContact CG2-CD2 4.42Å; T141-F144 PolarHBondContact O-N 2.93Å; T141-F144 WeakPolarHBondContact OG1-CD2 3.46Å; T141-F144 PolarHBondContact OG1-N 3.2Å; V142-F144 PolarHBondContact O-N 3.44Å; F144-V146 PolarHBondContact O-N 2.81Å; F144-V147 PolarHBondContact O-N 2.85Å; F144-T148 WeakPolarHBondContact O-CB 3.43Å; F144-T148 VanDerWaalsContact O-CG2 3.3Å; F144-T148 WeakPolarHBondContact O-CG2 3.24Å; F144-T148 PolarHBondContact O-N 3.11Å; F144-T148 PolarHBondContact O-OG1 3.12Å |
| 145 | G | 93.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -56.1 | -47.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | T141 V142 T143 T148 S149 | T141-G145 PolarHBondContact O-N 3.49Å; V142-G145 CarbonylContact O-C 3.52Å; V142-G145 WeakPolarHBondContact O-CA 3.23Å; V142-G145 PolarHBondContact O-N 3.04Å; V142-G145 VanDerWaalsContact O-N 3.1Å; T143-G145 VanDerWaalsContact C-N 3.3Å; T143-G145 PolarHBondContact O-N 3.21Å; G145-T148 PolarHBondContact O-OG1 3.19Å; G145-S149 WeakPolarHBondContact O-CB 3.43Å; G145-S149 PolarHBondContact O-N 3.45Å; G145-S149 PolarHBondContact O-OG 3.5Å; G145-S149 VanDerWaalsContact O-OG 3.08Å |
| 146 | V | 95.3 | Very high | 91.3 | Very high | 71 Ų | 71 | 64.1 Ų | 64.1 | 43% | 0.43 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.7 | -48.1 | 178.9 | 174 | 0 | 0 | 0 | 0 | 111.5 | V142 T143 F144 T148 S149 V150 | V142-V146 HydrophobicContact CG1-CG2 4.39Å; V142-V146 WeakPolarHBondContact O-CG2 3.18Å; V142-V146 PolarHBondContact O-N 3.01Å; T143-V146 PolarHBondContact O-N 3.32Å; F144-V146 PolarHBondContact O-N 2.81Å; V146-T148 PolarHBondContact O-N 3.41Å; V146-S149 WeakPolarHBondContact O-CB 3.27Å; V146-S149 PolarHBondContact O-N 2.92Å; V146-V150 WeakPolarHBondContact O-CG2 3.02Å; V146-V150 PolarHBondContact O-N 3.28Å |
| 147 | V | 96.4 | Very high | 92.3 | Very high | 76 Ų | 76 | 66.8 Ų | 66.8 | 46% | 0.461 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.4 | -46.7 | -179.8 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | T143 F144 S149 V150 I151 | T143-V147 WeakPolarHBondContact O-CG2 3.36Å; T143-V147 PolarHBondContact O-N 2.69Å; F144-V147 PolarHBondContact O-N 2.85Å; V147-S149 VanDerWaalsContact C-N 3.33Å; V147-S149 PolarHBondContact O-N 3.37Å; V147-V150 PolarHBondContact O-N 3.46Å; V147-I151 HydrophobicContact CG1-CD1 4.01Å; V147-I151 WeakPolarHBondContact O-CG1 3.45Å; V147-I151 PolarHBondContact O-N 3.08Å; V147-I151 VanDerWaalsContact O-N 3.08Å |
| 148 | T | 96.6 | Very high | 93.3 | Very high | 41 Ų | 41 | 66 Ų | 66 | 25% | 0.252 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65 | -35.9 | 177.8 | 51.6 | 0 | 0 | 0 | 0 | 112.3 | Y68 F144 G145 V146 I151 T152 | Y68-T148 WeakPolarHBondContact CE1-OG1 3.22Å; Y68-T148 WeakPolarHBondContact OH-CB 3.26Å; Y68-T148 PolarHBondContact OH-OG1 3.46Å; F144-T148 WeakPolarHBondContact O-CB 3.43Å; F144-T148 VanDerWaalsContact O-CG2 3.3Å; F144-T148 WeakPolarHBondContact O-CG2 3.24Å; F144-T148 PolarHBondContact O-N 3.11Å; F144-T148 PolarHBondContact O-OG1 3.12Å; G145-T148 PolarHBondContact O-OG1 3.19Å; V146-T148 PolarHBondContact O-N 3.41Å; T148-I151 PolarHBondContact O-N 2.89Å; T148-T152 WeakPolarHBondContact O-CB 3.35Å; T148-T152 PolarHBondContact O-N 3.03Å; T148-T152 PolarHBondContact O-OG1 2.94Å |
| 149 | S | 97.4 | Very high | 94.2 | Very high | 4 Ų | 4 | 58.3 Ų | 58.3 | 3% | 0.028 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.3 | -45.5 | 172.2 | -71.2 | 0 | 0 | 0 | 0 | 112.5 | N71 F118 G145 V146 V147 I151 T152 W153 | N71-S149 PolarHBondContact ND2-OG 3.37Å; F118-S149 WeakPolarHBondContact CE1-OG 3.27Å; G145-S149 WeakPolarHBondContact O-CB 3.43Å; G145-S149 PolarHBondContact O-N 3.45Å; G145-S149 PolarHBondContact O-OG 3.5Å; G145-S149 VanDerWaalsContact O-OG 3.08Å; V146-S149 WeakPolarHBondContact O-CB 3.27Å; V146-S149 PolarHBondContact O-N 2.92Å; V147-S149 VanDerWaalsContact C-N 3.33Å; V147-S149 PolarHBondContact O-N 3.37Å; S149-I151 PolarHBondContact O-N 3.46Å; S149-T152 WeakPolarHBondContact O-CB 3.49Å; S149-T152 PolarHBondContact O-N 3.25Å; S149-T152 VanDerWaalsContact O-N 3.14Å; S149-W153 PolarHBondContact O-N 3.45Å |
| 150 | V | 98 | Very high | 95.1 | Very high | 86 Ų | 86 | 57.2 Ų | 57.2 | 52% | 0.521 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.9 | -46.5 | 178.2 | 172 | 0 | 0 | 0 | 0 | 110.9 | V146 V147 T152 W153 V154 | V146-V150 WeakPolarHBondContact O-CG2 3.02Å; V146-V150 PolarHBondContact O-N 3.28Å; V147-V150 PolarHBondContact O-N 3.46Å; V150-T152 VanDerWaalsContact C-N 3.27Å; V150-T152 PolarHBondContact O-N 3.47Å; V150-W153 PolarHBondContact O-N 2.79Å; V150-V154 WeakPolarHBondContact O-CG2 3.23Å; V150-V154 PolarHBondContact O-N 3.16Å; V150-V154 VanDerWaalsContact O-N 3.08Å |
| 151 | I | 98.1 | Very high | 95.6 | Very high | 97 Ų | 97 | 56.5 Ų | 56.5 | 50% | 0.497 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.7 | -43 | 175.8 | -65.9 | 166.8 | 0 | 0 | 0 | 110.4 | V147 T148 S149 W153 V154 V155 | V147-I151 HydrophobicContact CG1-CD1 4.01Å; V147-I151 WeakPolarHBondContact O-CG1 3.45Å; V147-I151 PolarHBondContact O-N 3.08Å; V147-I151 VanDerWaalsContact O-N 3.08Å; T148-I151 PolarHBondContact O-N 2.89Å; S149-I151 PolarHBondContact O-N 3.46Å; I151-W153 PolarHBondContact O-N 2.92Å; I151-V154 PolarHBondContact O-N 2.96Å; I151-V155 HydrophobicContact CG2-CG2 4.29Å; I151-V155 VanDerWaalsContact O-CG2 3.31Å; I151-V155 WeakPolarHBondContact O-CG2 3.31Å; I151-V155 PolarHBondContact O-N 3.09Å |
| 152 | T | 98.2 | Very high | 95.7 | Very high | 15 Ų | 15 | 55.1 Ų | 55.1 | 9% | 0.092 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.7 | -41.6 | -179.5 | -58.6 | 0 | 0 | 0 | 0 | 112.2 | F117 F118 L121 T148 S149 V150 V155 A156 | F117-T152 HydrophobicContact CB-CG2 3.49Å; F117-T152 VanDerWaalsContact CB-CG2 3.49Å; F117-T152 HydrophobicContact CD2-CG2 4.15Å; F117-T152 HydrophobicContact CG-CG2 4.3Å; F118-T152 HydrophobicContact CD2-CG2 4.47Å; F118-T152 HydrophobicContact CE1-CG2 4.12Å; F118-T152 HydrophobicContact CE2-CG2 4.03Å; F118-T152 HydrophobicContact CZ-CG2 3.83Å; L121-T152 HydrophobicContact CD1-CG2 4.3Å; L121-T152 VanDerWaalsContact CD1-OG1 3.3Å; L121-T152 WeakPolarHBondContact CD1-OG1 3.36Å; T148-T152 WeakPolarHBondContact O-CB 3.35Å; T148-T152 PolarHBondContact O-N 3.03Å; T148-T152 PolarHBondContact O-OG1 2.94Å; S149-T152 WeakPolarHBondContact O-CB 3.49Å; S149-T152 PolarHBondContact O-N 3.25Å; S149-T152 VanDerWaalsContact O-N 3.14Å; V150-T152 VanDerWaalsContact C-N 3.27Å; V150-T152 PolarHBondContact O-N 3.47Å; T152-V155 PolarHBondContact O-N 3.48Å; T152-A156 WeakPolarHBondContact O-CB 3.27Å; T152-A156 PolarHBondContact O-N 3.4Å |
| 153 | W | 98.1 | Very high | 95.7 | Very high | 47 Ų | 47 | 52.3 Ų | 52.3 | 18% | 0.178 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 174.1 | -80.8 | 109.8 | 0 | 0 | 0 | 112 | N71 I74 F78 I110 S114 F118 S149 V150 I151 V155 A156 V157 | N71-W153 PolarHBondContact OD1-NE1 3.42Å; I74-W153 HydrophobicContact CB-CZ2 4.42Å; I74-W153 HydrophobicContact CG2-CH2 4.13Å; I74-W153 HydrophobicContact CG2-CZ2 3.87Å; F78-W153 AromaticContact CD2-CH2 3.55Å; F78-W153 HydrophobicContact CD2-CH2 3.55Å; F78-W153 AromaticContact CD2-CZ3 3.77Å; F78-W153 HydrophobicContact CD2-CZ3 3.77Å; F78-W153 AromaticContact CE2-CH2 3.43Å; F78-W153 HydrophobicContact CE2-CH2 3.43Å; F78-W153 VanDerWaalsContact CE2-CH2 3.43Å; F78-W153 HydrophobicContact CE2-CZ2 4.29Å; F78-W153 AromaticContact CE2-CZ3 3.62Å; F78-W153 HydrophobicContact CE2-CZ3 3.62Å; I110-W153 HydrophobicContact CG2-CE3 4.19Å; I110-W153 HydrophobicContact CG2-CZ3 3.71Å; S114-W153 WeakPolarHBondContact OG-CZ3 2.86Å; F118-W153 AromaticContact CE2-CE2 3.91Å; F118-W153 HydrophobicContact CE2-CZ2 4.13Å; F118-W153 AromaticContact CE2-NE1 3.83Å; F118-W153 AromaticContact CZ-NE1 3.71Å; S149-W153 PolarHBondContact O-N 3.45Å; V150-W153 PolarHBondContact O-N 2.79Å; I151-W153 PolarHBondContact O-N 2.92Å; W153-V155 VanDerWaalsContact C-N 3.34Å; W153-V155 PolarHBondContact O-N 3.27Å; W153-A156 PolarHBondContact O-N 3.01Å; W153-V157 WeakPolarHBondContact O-CG2 3.32Å; W153-V157 PolarHBondContact O-N 3.24Å |
| 154 | V | 98.2 | Very high | 95.8 | Very high | 73 Ų | 73 | 49.3 Ų | 49.3 | 44% | 0.442 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.8 | -47.7 | 176.6 | 172.3 | 0 | 0 | 0 | 0 | 110.3 | V150 I151 A156 V157 F158 | V150-V154 WeakPolarHBondContact O-CG2 3.23Å; V150-V154 PolarHBondContact O-N 3.16Å; V150-V154 VanDerWaalsContact O-N 3.08Å; I151-V154 PolarHBondContact O-N 2.96Å; V154-A156 PolarHBondContact O-N 3.31Å; V154-V157 PolarHBondContact O-N 3.11Å; V154-F158 HydrophobicContact CG1-CD2 3.65Å; V154-F158 HydrophobicContact CG1-CE2 3.54Å; V154-F158 WeakPolarHBondContact O-CD2 3.35Å; V154-F158 PolarHBondContact O-N 3.42Å |
| 155 | V | 98.1 | Very high | 95.9 | Very high | 72 Ų | 72 | 48.7 Ų | 48.7 | 44% | 0.436 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 177.5 | 174.7 | 0 | 0 | 0 | 0 | 111.8 | F117 I151 T152 W153 V157 F158 A159 | F117-V155 HydrophobicContact CD2-CG1 4.46Å; F117-V155 HydrophobicContact CE2-CG1 3.8Å; F117-V155 HydrophobicContact CZ-CG1 4.33Å; I151-V155 HydrophobicContact CG2-CG2 4.29Å; I151-V155 VanDerWaalsContact O-CG2 3.31Å; I151-V155 WeakPolarHBondContact O-CG2 3.31Å; I151-V155 PolarHBondContact O-N 3.09Å; T152-V155 PolarHBondContact O-N 3.48Å; W153-V155 VanDerWaalsContact C-N 3.34Å; W153-V155 PolarHBondContact O-N 3.27Å; V155-V157 PolarHBondContact O-N 3.17Å; V155-F158 PolarHBondContact O-N 3.34Å; V155-A159 WeakPolarHBondContact O-CB 3.4Å; V155-A159 PolarHBondContact O-N 3.47Å |
| 156 | A | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.2 | -40.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F113 F117 T152 W153 V154 A159 S160 | F113-A156 HydrophobicContact CB-CB 4.09Å; F117-A156 HydrophobicContact CD2-CB 4.35Å; F117-A156 HydrophobicContact CE2-CB 4.44Å; T152-A156 WeakPolarHBondContact O-CB 3.27Å; T152-A156 PolarHBondContact O-N 3.4Å; W153-A156 PolarHBondContact O-N 3.01Å; V154-A156 PolarHBondContact O-N 3.31Å; A156-A159 PolarHBondContact O-N 2.96Å; A156-S160 WeakPolarHBondContact O-CB 3.21Å; A156-S160 PolarHBondContact O-N 3.39Å; A156-S160 VanDerWaalsContact O-N 3.13Å; A156-S160 PolarHBondContact O-OG 3.07Å |
| 157 | V | 97.3 | Very high | 95.7 | Very high | 60 Ų | 60 | 46.7 Ų | 46.7 | 36% | 0.364 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.5 | -49.7 | 174.1 | 172.2 | 0 | 0 | 0 | 0 | 110.4 | I110 W153 V154 V155 A159 S160 L161 | I110-V157 HydrophobicContact CD1-CG2 4.07Å; I110-V157 HydrophobicContact CG1-CG2 4.26Å; W153-V157 WeakPolarHBondContact O-CG2 3.32Å; W153-V157 PolarHBondContact O-N 3.24Å; V154-V157 PolarHBondContact O-N 3.11Å; V155-V157 PolarHBondContact O-N 3.17Å; V157-A159 VanDerWaalsContact C-N 3.34Å; V157-A159 PolarHBondContact O-N 3.17Å; V157-S160 WeakPolarHBondContact O-CA 3.24Å; V157-S160 WeakPolarHBondContact O-CB 3.42Å; V157-S160 PolarHBondContact O-N 3.42Å; V157-L161 PolarHBondContact O-N 3.26Å; V157-L161 VanDerWaalsContact O-N 3.14Å |
| 158 | F | 97.2 | Very high | 95.6 | Very high | 135 Ų | 135 | 50 Ų | 50 | 59% | 0.592 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -59.6 | -42 | 177.7 | -84 | -70.6 | 0 | 0 | 0 | 112.8 | V154 V155 S160 L161 | V154-F158 HydrophobicContact CG1-CD2 3.65Å; V154-F158 HydrophobicContact CG1-CE2 3.54Å; V154-F158 WeakPolarHBondContact O-CD2 3.35Å; V154-F158 PolarHBondContact O-N 3.42Å; V155-F158 PolarHBondContact O-N 3.34Å; F158-S160 PolarHBondContact O-N 2.98Å; F158-L161 HydrophobicContact CD1-CD1 3.64Å; F158-L161 HydrophobicContact CE1-CD1 4.1Å; F158-L161 HydrophobicContact CG-CD1 4.47Å; F158-L161 PolarHBondContact O-N 2.94Å |
| 159 | A | 95.9 | Very high | 95.4 | Very high | 15 Ų | 15 | 49.1 Ų | 49.1 | 12% | 0.124 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63 | -26.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | F113 V155 A156 V157 K197 L201 | F113-A159 HydrophobicContact CD1-CB 4.48Å; F113-A159 HydrophobicContact CD2-CB 3.74Å; F113-A159 HydrophobicContact CE2-CB 4.05Å; F113-A159 HydrophobicContact CG-CB 4.01Å; V155-A159 WeakPolarHBondContact O-CB 3.4Å; V155-A159 PolarHBondContact O-N 3.47Å; A156-A159 PolarHBondContact O-N 2.96Å; V157-A159 VanDerWaalsContact C-N 3.34Å; V157-A159 PolarHBondContact O-N 3.17Å; A159-K197 PolarHBondContact O-NZ 3.31Å; A159-L201 HydrophobicContact CB-CD1 4.29Å |
| 160 | S | 95.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -83.9 | -26 | -179.7 | -56.2 | 0 | 0 | 0 | 0 | 113.2 | F109 I110 A156 V157 F158 G163 I164 | F109-S160 WeakPolarHBondContact CB-OG 3.48Å; F109-S160 PolarHBondContact O-OG 3.28Å; I110-S160 WeakPolarHBondContact CA-OG 3.33Å; I110-S160 WeakPolarHBondContact CG1-OG 3.34Å; I110-S160 PolarHBondContact N-OG 3.47Å; I110-S160 VanDerWaalsContact N-OG 3.13Å; A156-S160 WeakPolarHBondContact O-CB 3.21Å; A156-S160 PolarHBondContact O-N 3.39Å; A156-S160 VanDerWaalsContact O-N 3.13Å; A156-S160 PolarHBondContact O-OG 3.07Å; V157-S160 WeakPolarHBondContact O-CA 3.24Å; V157-S160 WeakPolarHBondContact O-CB 3.42Å; V157-S160 PolarHBondContact O-N 3.42Å; F158-S160 PolarHBondContact O-N 2.98Å; S160-G163 PolarHBondContact O-N 2.96Å; S160-I164 PolarHBondContact O-N 3.41Å |
| 161 | L | 94.6 | Very high | 94.6 | Very high | 65 Ų | 65 | 54.8 Ų | 54.8 | 34% | 0.34 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -51.8 | -46.6 | -174.5 | -70.9 | 176.9 | 0 | 0 | 0 | 114.6 | V157 F158 G163 I164 I165 | V157-L161 PolarHBondContact O-N 3.26Å; V157-L161 VanDerWaalsContact O-N 3.14Å; F158-L161 HydrophobicContact CD1-CD1 3.64Å; F158-L161 HydrophobicContact CE1-CD1 4.1Å; F158-L161 HydrophobicContact CG-CD1 4.47Å; F158-L161 PolarHBondContact O-N 2.94Å; L161-G163 VanDerWaalsContact C-N 3.25Å; L161-G163 PolarHBondContact O-N 2.94Å; L161-I164 PolarHBondContact O-N 2.99Å; L161-I164 VanDerWaalsContact O-N 3.08Å; L161-I165 VanDerWaalsContact O-CG1 3.3Å; L161-I165 WeakPolarHBondContact O-CG1 3.3Å; L161-I165 PolarHBondContact O-N 3.35Å |
| 162 | P | 91.5 | Very high | 93.9 | Very high | 24 Ų | 24 | 54.1 Ų | 54.1 | 16% | 0.156 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59 | -39.3 | 178.7 | -23.9 | 34.6 | 0 | 0 | 0 | 112.2 | I164 I165 F166 F193 | P162-I164 VanDerWaalsContact C-N 3.32Å; P162-I164 PolarHBondContact O-N 3.14Å; P162-I165 PolarHBondContact O-N 3.39Å; P162-F166 HydrophobicContact CB-CD2 4.43Å; P162-F166 HydrophobicContact CB-CE2 4.34Å; P162-F166 WeakPolarHBondContact O-CD2 3.24Å; P162-F166 PolarHBondContact O-N 2.78Å; P162-F166 VanDerWaalsContact O-N 3.12Å; P162-F193 HydrophobicContact CB-CE1 4.41Å; P162-F193 HydrophobicContact CG-CE1 4.21Å |
| 163 | G | 89.5 | Confident | 93.1 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63 | -38.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S160 L161 T167 | S160-G163 PolarHBondContact O-N 2.96Å; L161-G163 VanDerWaalsContact C-N 3.25Å; L161-G163 PolarHBondContact O-N 2.94Å; G163-T167 VanDerWaalsContact O-CB 3.22Å; G163-T167 WeakPolarHBondContact O-CB 3.45Å; G163-T167 PolarHBondContact O-N 2.87Å; G163-T167 VanDerWaalsContact O-N 3.16Å; G163-T167 PolarHBondContact O-OG1 3.16Å |
| 164 | I | 92.8 | Very high | 92.4 | Very high | 40 Ų | 40 | 61.5 Ų | 61.5 | 21% | 0.205 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -69.8 | -42.6 | 178.9 | -59.4 | 168.4 | 0 | 0 | 0 | 111.1 | Q102 G106 S160 L161 P162 | Q102-I164 HydrophobicContact CB-CG2 4.19Å; G106-I164 VanDerWaalsContact CA-CG1 3.46Å; S160-I164 PolarHBondContact O-N 3.41Å; L161-I164 PolarHBondContact O-N 2.99Å; L161-I164 VanDerWaalsContact O-N 3.08Å; P162-I164 VanDerWaalsContact C-N 3.32Å; P162-I164 PolarHBondContact O-N 3.14Å |
| 165 | I | 93.4 | Very high | 91.8 | Very high | 101 Ų | 101 | 62 Ų | 62 | 52% | 0.518 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67.4 | -42.2 | -175.9 | -67 | 164.4 | 0 | 0 | 0 | 111.4 | L161 P162 | L161-I165 VanDerWaalsContact O-CG1 3.3Å; L161-I165 WeakPolarHBondContact O-CG1 3.3Å; L161-I165 PolarHBondContact O-N 3.35Å; P162-I165 PolarHBondContact O-N 3.39Å |
| 166 | F | 92.7 | Very high | 91.4 | Very high | 24 Ų | 24 | 63.8 Ų | 63.8 | 11% | 0.105 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -83.7 | -20.2 | -177.5 | -65.2 | -58.6 | 0 | 0 | 0 | 113.5 | P162 H181 F182 P183 W190 | P162-F166 HydrophobicContact CB-CD2 4.43Å; P162-F166 HydrophobicContact CB-CE2 4.34Å; P162-F166 WeakPolarHBondContact O-CD2 3.24Å; P162-F166 PolarHBondContact O-N 2.78Å; P162-F166 VanDerWaalsContact O-N 3.12Å; F166-H181 PolarHBondContact O-N 2.94Å; F166-F182 HydrophobicContact CB-CD1 3.86Å; F166-F182 HydrophobicContact CB-CE1 3.78Å; F166-F182 AromaticContact CD1-CD1 3.93Å; F166-F182 HydrophobicContact CD1-CD1 3.93Å; F166-F182 AromaticContact CD2-CD1 3.88Å; F166-F182 HydrophobicContact CD2-CD1 3.88Å; F166-F182 AromaticContact CD2-CE1 3.78Å; F166-F182 HydrophobicContact CD2-CE1 3.78Å; F166-F182 HydrophobicContact CE2-CD1 4.49Å; F166-F182 AromaticContact CG-CD1 3.61Å; F166-F182 HydrophobicContact CG-CD1 3.61Å; F166-F182 AromaticContact CG-CE1 3.79Å; F166-F182 HydrophobicContact CG-CE1 3.79Å; F166-P183 HydrophobicContact CE1-CG 4.13Å; F166-W190 HydrophobicContact CD2-CE3 4.35Å; F166-W190 HydrophobicContact CE1-CD2 4.29Å; F166-W190 AromaticContact CE2-CD2 3.7Å; F166-W190 HydrophobicContact CE2-CD2 3.7Å; F166-W190 AromaticContact CE2-CE3 3.26Å; F166-W190 HydrophobicContact CE2-CE3 3.26Å; F166-W190 HydrophobicContact CE2-CG 4.38Å; F166-W190 HydrophobicContact CE2-CH2 4.13Å; F166-W190 AromaticContact CE2-CZ3 3.51Å; F166-W190 HydrophobicContact CE2-CZ3 3.51Å; F166-W190 AromaticContact CZ-CD2 3.4Å; F166-W190 HydrophobicContact CZ-CD2 3.4Å; F166-W190 VanDerWaalsContact CZ-CD2 3.4Å; F166-W190 AromaticContact CZ-CE2 3.61Å; F166-W190 AromaticContact CZ-CE3 3.45Å; F166-W190 HydrophobicContact CZ-CE3 3.45Å; F166-W190 VanDerWaalsContact CZ-CE3 3.45Å; F166-W190 HydrophobicContact CZ-CG 4.02Å; F166-W190 AromaticContact CZ-CH2 3.85Å; F166-W190 HydrophobicContact CZ-CH2 3.85Å; F166-W190 AromaticContact CZ-CZ2 3.83Å; F166-W190 HydrophobicContact CZ-CZ2 3.83Å; F166-W190 AromaticContact CZ-CZ3 3.68Å; F166-W190 HydrophobicContact CZ-CZ3 3.68Å |
| 167 | T | 93.1 | Very high | 91.1 | Very high | 4 Ų | 4 | 64.5 Ų | 64.5 | 3% | 0.025 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 129.4 | 178.4 | -65.7 | 0 | 0 | 0 | 0 | 111.7 | C101 Q102 T105 G163 S179 S180 | C101-T167 WeakPolarHBondContact SG-CG2 3.27Å; Q102-T167 WeakPolarHBondContact CG-O 3.26Å; Q102-T167 PolarHBondContact NE2-O 2.99Å; T105-T167 HydrophobicContact CG2-CG2 4.15Å; T105-T167 WeakPolarHBondContact OG1-CG2 3.41Å; G163-T167 VanDerWaalsContact O-CB 3.22Å; G163-T167 WeakPolarHBondContact O-CB 3.45Å; G163-T167 PolarHBondContact O-N 2.87Å; G163-T167 VanDerWaalsContact O-N 3.16Å; G163-T167 PolarHBondContact O-OG1 3.16Å; T167-S179 WeakPolarHBondContact CA-O 3.46Å; T167-S180 PolarHBondContact OG1-OG 3.39Å |
| 168 | R | 92.9 | Very high | 90.9 | Very high | 146 Ų | 146 | 62.1 Ų | 62.1 | 55% | 0.551 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 155.9 | 179.1 | -63.2 | -169.9 | 179.9 | -158.1 | -0.3 | 110.6 | N98 C101 S179 | N98-R168 VanDerWaalsContact OD1-CA 3.28Å; N98-R168 WeakPolarHBondContact OD1-CA 3.47Å; C101-R168 VanDerWaalsContact SG-C 3.59Å; R168-S179 PolarHBondContact N-O 2.83Å; R168-S179 PolarHBondContact O-N 3.31Å; R168-S179 VanDerWaalsContact O-N 3.15Å |
| 169 | S | 93.4 | Very high | 90.6 | Very high | 23 Ų | 23 | 57.2 Ų | 57.2 | 16% | 0.161 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 125.5 | 166.7 | -174.8 | 0 | 0 | 0 | 0 | 110.3 | W94 N98 T177 | W94-S169 VanDerWaalsContact CD1-OG 3.26Å; N98-S169 PolarHBondContact OD1-N 2.77Å; S169-T177 WeakPolarHBondContact CA-O 3.46Å; S169-T177 PolarHBondContact OG-O 2.95Å |
| 170 | Q | 90 | Very high | 90.3 | Very high | 79 Ų | 79 | 59.1 Ų | 59.1 | 37% | 0.369 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 160.6 | 177.2 | 60.4 | 170.9 | 33 | 0 | 0 | 111.3 | E172 T177 H181 | Q170-E172 HydrophobicContact CG-CG 4.16Å; Q170-E172 PolarHBondContact NE2-OE1 2.94Å; Q170-T177 PolarHBondContact N-O 3.42Å; Q170-T177 PolarHBondContact O-N 3.14Å; Q170-T177 PolarHBondContact O-OG1 2.88Å; Q170-H181 VanDerWaalsContact CD-NE2 3.25Å; Q170-H181 WeakPolarHBondContact CG-NE2 3.2Å; Q170-H181 PolarHBondContact NE2-CE1 3.04Å; Q170-H181 PolarHBondContact NE2-NE2 2.93Å |
| 171 | K | 88.4 | Confident | 90 | Very high | 129 Ų | 129 | 61.7 Ų | 61.7 | 56% | 0.561 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 114 | 176.2 | -168.5 | -179.9 | 178.9 | -177.8 | 0 | 109.1 | G173 Y176 | K171-G173 WeakPolarHBondContact CE-O 3.27Å; K171-Y176 HydrophobicContact CB-CD1 4.12Å; K171-Y176 HydrophobicContact CB-CE1 3.9Å; K171-Y176 HydrophobicContact CG-CE1 4.46Å |
| 172 | E | 82.8 | Confident | 89.8 | Confident | 83 Ų | 83 | 60.3 Ų | 60.3 | 39% | 0.388 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 104.8 | 176.2 | -72.4 | 177.1 | 170 | 0 | 0 | 109.1 | Q170 L174 H175 T177 H181 | Q170-E172 HydrophobicContact CG-CG 4.16Å; Q170-E172 PolarHBondContact NE2-OE1 2.94Å; E172-L174 PolarHBondContact O-N 3.44Å; E172-H175 PolarHBondContact N-O 3.48Å; E172-H175 PolarHBondContact O-N 2.95Å; E172-T177 HydrophobicContact CB-CG2 4.21Å; E172-T177 WeakPolarHBondContact OE2-CG2 3.28Å; E172-T177 PolarHBondContact OE2-OG1 3.3Å; E172-H181 IonicContact OE1-CE1 3.75Å; E172-H181 PolarHBondContact OE1-CE1 3.27Å; E172-H181 VanDerWaalsContact OE1-CE1 3.24Å; E172-H181 IonicContact OE1-NE2 2.66Å |
| 173 | G | 81.9 | Confident | 89.7 | Confident | 67 Ų | 67 | 61.7 Ų | 61.7 | 69% | 0.691 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | -118.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K171 | K171-G173 WeakPolarHBondContact CE-O 3.27Š|
| 174 | L | 82.9 | Confident | 89.6 | Confident | 150 Ų | 150 | 72.2 Ų | 72.2 | 79% | 0.785 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -9.6 | -178.6 | -68.1 | 170.7 | 0 | 0 | 0 | 113.9 | E172 | E172-L174 PolarHBondContact O-N 3.44Š|
| 175 | H | 85.8 | Confident | 89.6 | Confident | 83 Ų | 83 | 75.5 Ų | 75.5 | 38% | 0.384 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 151.1 | -170.4 | -63.7 | -66.8 | 0 | 0 | 0 | 112.7 | Q93 E172 | Q93-H175 HydrophobicContact CB-CB 4.33Å; Q93-H175 PolarHBondContact OE1-ND1 2.99Å; E172-H175 PolarHBondContact N-O 3.48Å; E172-H175 PolarHBondContact O-N 2.95Å |
| 176 | Y | 90.6 | Very high | 89.5 | Confident | 110 Ų | 110 | 75.5 Ų | 75.5 | 43% | 0.431 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 129.9 | 167 | -74 | -86.1 | 0 | 0 | 0 | 110.3 | W94 K171 | W94-Y176 WeakPolarHBondContact CB-O 3.45Å; W94-Y176 PolarHBondContact N-O 2.95Å; W94-Y176 WeakPolarHBondContact O-CB 3.22Å; K171-Y176 HydrophobicContact CB-CD1 4.12Å; K171-Y176 HydrophobicContact CB-CE1 3.9Å; K171-Y176 HydrophobicContact CG-CE1 4.46Å |
| 177 | T | 91 | Very high | 89.4 | Confident | 16 Ų | 16 | 79.5 Ų | 79.5 | 10% | 0.098 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 160.2 | 177.1 | 58.2 | 0 | 0 | 0 | 0 | 110.6 | S169 Q170 E172 | S169-T177 WeakPolarHBondContact CA-O 3.46Å; S169-T177 PolarHBondContact OG-O 2.95Å; Q170-T177 PolarHBondContact N-O 3.42Å; Q170-T177 PolarHBondContact O-N 3.14Å; Q170-T177 PolarHBondContact O-OG1 2.88Å; E172-T177 HydrophobicContact CB-CG2 4.21Å; E172-T177 WeakPolarHBondContact OE2-CG2 3.28Å; E172-T177 PolarHBondContact OE2-OG1 3.3Å |
| 178 | C | 93.5 | Very high | 89.2 | Confident | 10 Ų | 10 | 83.6 Ų | 83.6 | 7% | 0.068 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 101.4 | 168.9 | 174.3 | 0 | 0 | 0 | 0 | 107.1 | W94 C101 | W94-C178 HydrophobicContact CB-CB 4.26Å; W94-C178 HydrophobicContact CD2-CB 3.47Å; W94-C178 VanDerWaalsContact CD2-CB 3.47Å; W94-C178 HydrophobicContact CE3-CB 3.63Å; W94-C178 HydrophobicContact CG-CB 3.72Å; W94-C178 HydrophobicContact CZ3-CB 4.25Å; C101-C178 VanDerWaalsContact CA-SG 3.51Å; C101-C178 HydrophobicContact CB-CB 3.91Å; C101-C178 WeakPolarHBondContact CB-SG 3.09Å; C101-C178 VanDerWaalsContact SG-CA 3.53Å; C101-C178 WeakPolarHBondContact SG-CB 3.11Å; C101-C178 CovalentContact SG-SG 2.03Å; C101-C178 PolarHBondContact SG-SG 3.25Å |
| 179 | S | 89.7 | Confident | 89.3 | Confident | 32 Ų | 32 | 82.6 Ų | 82.6 | 22% | 0.224 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 159 | -168.8 | 38.4 | 0 | 0 | 0 | 0 | 111.4 | T167 R168 H181 | T167-S179 WeakPolarHBondContact CA-O 3.46Å; R168-S179 PolarHBondContact N-O 2.83Å; R168-S179 PolarHBondContact O-N 3.31Å; R168-S179 VanDerWaalsContact O-N 3.15Å; S179-H181 PolarHBondContact O-CD2 3.11Å; S179-H181 PolarHBondContact OG-NE2 3.4Å |
| 180 | S | 89.6 | Confident | 89.3 | Confident | 54 Ų | 54 | 84.3 Ų | 84.3 | 38% | 0.378 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 123.7 | 177.2 | -57.5 | 0 | 0 | 0 | 0 | 111.1 | T167 | T167-S180 PolarHBondContact OG1-OG 3.39Å |
| 181 | H | 89 | Confident | 89.3 | Confident | 55 Ų | 55 | 82.7 Ų | 82.7 | 26% | 0.255 | 41% | 0.413 | S | S | . | . | trans | -113.7 | 110.5 | 177.4 | -66.4 | -72.1 | 0 | 0 | 0 | 110.3 | F166 Q170 E172 S179 | F166-H181 PolarHBondContact O-N 2.94Å; Q170-H181 VanDerWaalsContact CD-NE2 3.25Å; Q170-H181 WeakPolarHBondContact CG-NE2 3.2Å; Q170-H181 PolarHBondContact NE2-CE1 3.04Å; Q170-H181 PolarHBondContact NE2-NE2 2.93Å; E172-H181 IonicContact OE1-CE1 3.75Å; E172-H181 PolarHBondContact OE1-CE1 3.27Å; E172-H181 VanDerWaalsContact OE1-CE1 3.24Å; E172-H181 IonicContact OE1-NE2 2.66Å; S179-H181 PolarHBondContact O-CD2 3.11Å; S179-H181 PolarHBondContact OG-NE2 3.4Å | ||
| 182 | F | 90.5 | Very high | 89.6 | Confident | 35 Ų | 35 | 78.4 Ų | 78.4 | 15% | 0.154 | 40% | 0.397 | C | S | . | . | trans | -92 | 147.8 | 176.3 | -55.1 | -58 | 0 | 0 | 0 | 111.3 | F166 Y184 Y187 W190 K191 Q194 | F166-F182 HydrophobicContact CB-CD1 3.86Å; F166-F182 HydrophobicContact CB-CE1 3.78Å; F166-F182 AromaticContact CD1-CD1 3.93Å; F166-F182 HydrophobicContact CD1-CD1 3.93Å; F166-F182 AromaticContact CD2-CD1 3.88Å; F166-F182 HydrophobicContact CD2-CD1 3.88Å; F166-F182 AromaticContact CD2-CE1 3.78Å; F166-F182 HydrophobicContact CD2-CE1 3.78Å; F166-F182 HydrophobicContact CE2-CD1 4.49Å; F166-F182 AromaticContact CG-CD1 3.61Å; F166-F182 HydrophobicContact CG-CD1 3.61Å; F166-F182 AromaticContact CG-CE1 3.79Å; F166-F182 HydrophobicContact CG-CE1 3.79Å; F182-Y184 PolarHBondContact O-N 3.46Å; F182-Y187 HydrophobicContact CB-CD2 3.95Å; F182-Y187 HydrophobicContact CB-CE2 4.49Å; F182-Y187 HydrophobicContact CD2-CD2 4.34Å; F182-Y187 HydrophobicContact CD2-CE2 4.14Å; F182-W190 HydrophobicContact CB-CB 3.94Å; F182-W190 HydrophobicContact CD1-CB 3.51Å; F182-W190 HydrophobicContact CD1-CG 4.4Å; F182-W190 HydrophobicContact CE1-CB 4.16Å; F182-W190 HydrophobicContact CG-CB 3.75Å; F182-K191 HydrophobicContact CD2-CB 4.18Å; F182-K191 HydrophobicContact CE2-CB 4.13Å; F182-K191 HydrophobicContact CE2-CG 4.49Å; F182-Q194 HydrophobicContact CZ-CB 4.18Å; F182-Q194 HydrophobicContact CZ-CG 4.42Å | ||
| 183 | P | 89.6 | Confident | 90.2 | Very high | 54 Ų | 54 | 78.7 Ų | 78.7 | 35% | 0.351 | 40% | 0.396 | S | S | . | . | trans | -57.9 | 131.4 | 175.4 | -21.3 | 31.3 | 0 | 0 | 0 | 111.4 | F166 S185 Q186 Y187 | F166-P183 HydrophobicContact CE1-CG 4.13Å; P183-S185 VanDerWaalsContact C-N 3.28Å; P183-S185 PolarHBondContact O-N 3.38Å; P183-Q186 CarbonylContact O-C 3.58Å; P183-Q186 PolarHBondContact O-N 3.36Å; P183-Y187 WeakPolarHBondContact O-CA 3.49Å; P183-Y187 PolarHBondContact O-N 2.98Å | ||
| 184 | Y | 88.7 | Confident | 90.8 | Very high | 222 Ų | 222 | 76.3 Ų | 76.3 | 87% | 0.871 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -57.5 | -39.4 | -174.9 | -172.5 | -94.1 | 0 | 0 | 0 | 112.9 | F182 Q186 Y187 | F182-Y184 PolarHBondContact O-N 3.46Å; Y184-Q186 PolarHBondContact O-N 2.94Å; Y184-Y187 PolarHBondContact O-N 3.24Å |
| 185 | S | 91.7 | Very high | 91.3 | Very high | 108 Ų | 108 | 69.5 Ų | 69.5 | 76% | 0.755 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -62.3 | -23.6 | 179.1 | 57.7 | 0 | 0 | 0 | 0 | 114.1 | P183 | P183-S185 VanDerWaalsContact C-N 3.28Å; P183-S185 PolarHBondContact O-N 3.38Å |
| 186 | Q | 91.9 | Very high | 91.8 | Very high | 101 Ų | 101 | 69 Ų | 69 | 47% | 0.472 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -132.3 | 25.6 | -176.3 | -65.9 | -177.7 | -20.7 | 0 | 0 | 111.8 | P183 Y184 Q188 F189 W190 | P183-Q186 CarbonylContact O-C 3.58Å; P183-Q186 PolarHBondContact O-N 3.36Å; Y184-Q186 PolarHBondContact O-N 2.94Å; Q186-Q188 PolarHBondContact O-N 3.04Å; Q186-F189 HydrophobicContact CB-CB 4.46Å; Q186-F189 WeakPolarHBondContact O-CB 3.48Å; Q186-F189 PolarHBondContact O-N 2.91Å; Q186-F189 VanDerWaalsContact O-N 3.14Å; Q186-W190 VanDerWaalsContact O-CD1 3.31Å; Q186-W190 PolarHBondContact O-N 2.94Å |
| 187 | Y | 90 | Very high | 92.1 | Very high | 108 Ų | 108 | 64.8 Ų | 64.8 | 42% | 0.424 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -55.7 | -50.2 | -170.8 | 175.9 | -94.1 | 0 | 0 | 0 | 111.9 | F182 P183 Y184 F189 W190 K191 | F182-Y187 HydrophobicContact CB-CD2 3.95Å; F182-Y187 HydrophobicContact CB-CE2 4.49Å; F182-Y187 HydrophobicContact CD2-CD2 4.34Å; F182-Y187 HydrophobicContact CD2-CE2 4.14Å; P183-Y187 WeakPolarHBondContact O-CA 3.49Å; P183-Y187 PolarHBondContact O-N 2.98Å; Y184-Y187 PolarHBondContact O-N 3.24Å; Y187-F189 VanDerWaalsContact C-N 3.33Å; Y187-F189 PolarHBondContact O-N 3.3Å; Y187-W190 PolarHBondContact O-N 2.83Å; Y187-K191 HydrophobicContact CE1-CD 3.88Å; Y187-K191 VanDerWaalsContact O-CB 3.27Å; Y187-K191 WeakPolarHBondContact O-CB 3.49Å; Y187-K191 PolarHBondContact O-N 2.94Å |
| 188 | Q | 90.4 | Very high | 92.3 | Very high | 91 Ų | 91 | 64.5 Ų | 64.5 | 43% | 0.425 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.9 | -37.8 | -178.9 | -167.5 | 63.2 | 36 | 0 | 0 | 112.3 | Q186 N192 | Q186-Q188 PolarHBondContact O-N 3.04Å; Q188-N192 PolarHBondContact NE2-OD1 3.46Å; Q188-N192 VanDerWaalsContact O-CB 3.23Å; Q188-N192 WeakPolarHBondContact O-CB 3.44Å; Q188-N192 PolarHBondContact O-N 2.77Å; Q188-N192 PolarHBondContact O-ND2 3.1Å; Q188-N192 PolarHBondContact O-OD1 3.5Å |
| 189 | F | 93.4 | Very high | 92.5 | Very high | 125 Ų | 125 | 64.7 Ų | 64.7 | 55% | 0.548 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.1 | -51.4 | 178.3 | 174.9 | -93.7 | 0 | 0 | 0 | 111 | Q186 Y187 N192 F193 | Q186-F189 HydrophobicContact CB-CB 4.46Å; Q186-F189 WeakPolarHBondContact O-CB 3.48Å; Q186-F189 PolarHBondContact O-N 2.91Å; Q186-F189 VanDerWaalsContact O-N 3.14Å; Y187-F189 VanDerWaalsContact C-N 3.33Å; Y187-F189 PolarHBondContact O-N 3.3Å; F189-N192 PolarHBondContact O-N 3.3Å; F189-F193 VanDerWaalsContact O-CB 3.25Å; F189-F193 WeakPolarHBondContact O-CB 3.3Å; F189-F193 PolarHBondContact O-N 2.81Å |
| 190 | W | 93.5 | Very high | 92.8 | Very high | 59 Ų | 59 | 67.3 Ų | 67.3 | 22% | 0.223 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -69.5 | -37.5 | -178.4 | -73.1 | 108.7 | 0 | 0 | 0 | 112.9 | F166 F182 Q186 Y187 F193 Q194 | F166-W190 HydrophobicContact CD2-CE3 4.35Å; F166-W190 HydrophobicContact CE1-CD2 4.29Å; F166-W190 AromaticContact CE2-CD2 3.7Å; F166-W190 HydrophobicContact CE2-CD2 3.7Å; F166-W190 AromaticContact CE2-CE3 3.26Å; F166-W190 HydrophobicContact CE2-CE3 3.26Å; F166-W190 HydrophobicContact CE2-CG 4.38Å; F166-W190 HydrophobicContact CE2-CH2 4.13Å; F166-W190 AromaticContact CE2-CZ3 3.51Å; F166-W190 HydrophobicContact CE2-CZ3 3.51Å; F166-W190 AromaticContact CZ-CD2 3.4Å; F166-W190 HydrophobicContact CZ-CD2 3.4Å; F166-W190 VanDerWaalsContact CZ-CD2 3.4Å; F166-W190 AromaticContact CZ-CE2 3.61Å; F166-W190 AromaticContact CZ-CE3 3.45Å; F166-W190 HydrophobicContact CZ-CE3 3.45Å; F166-W190 VanDerWaalsContact CZ-CE3 3.45Å; F166-W190 HydrophobicContact CZ-CG 4.02Å; F166-W190 AromaticContact CZ-CH2 3.85Å; F166-W190 HydrophobicContact CZ-CH2 3.85Å; F166-W190 AromaticContact CZ-CZ2 3.83Å; F166-W190 HydrophobicContact CZ-CZ2 3.83Å; F166-W190 AromaticContact CZ-CZ3 3.68Å; F166-W190 HydrophobicContact CZ-CZ3 3.68Å; F182-W190 HydrophobicContact CB-CB 3.94Å; F182-W190 HydrophobicContact CD1-CB 3.51Å; F182-W190 HydrophobicContact CD1-CG 4.4Å; F182-W190 HydrophobicContact CE1-CB 4.16Å; F182-W190 HydrophobicContact CG-CB 3.75Å; Q186-W190 VanDerWaalsContact O-CD1 3.31Å; Q186-W190 PolarHBondContact O-N 2.94Å; Y187-W190 PolarHBondContact O-N 2.83Å; W190-F193 HydrophobicContact CE3-CD1 4.09Å; W190-F193 HydrophobicContact CZ3-CD1 4.11Å; W190-F193 HydrophobicContact CZ3-CE1 4.35Å; W190-F193 PolarHBondContact O-N 3.39Å; W190-Q194 WeakPolarHBondContact O-CB 3.36Å; W190-Q194 PolarHBondContact O-N 2.84Å |
| 191 | K | 91.4 | Very high | 93.2 | Very high | 45 Ų | 45 | 66.6 Ų | 66.6 | 20% | 0.196 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59 | -50.7 | 172.2 | -172.4 | -175.9 | 177.1 | -174.3 | 0 | 110.8 | F182 Y187 Q194 T195 T259 | F182-K191 HydrophobicContact CD2-CB 4.18Å; F182-K191 HydrophobicContact CE2-CB 4.13Å; F182-K191 HydrophobicContact CE2-CG 4.49Å; Y187-K191 HydrophobicContact CE1-CD 3.88Å; Y187-K191 VanDerWaalsContact O-CB 3.27Å; Y187-K191 WeakPolarHBondContact O-CB 3.49Å; Y187-K191 PolarHBondContact O-N 2.94Å; K191-Q194 PolarHBondContact O-N 3.49Å; K191-T195 PolarHBondContact O-N 3.2Å; K191-T195 VanDerWaalsContact O-N 3.11Å; K191-T195 PolarHBondContact O-OG1 3.31Å; K191-T259 HydrophobicContact CG-CG2 4.21Å |
| 192 | N | 93.9 | Very high | 93.4 | Very high | 39 Ų | 39 | 64.2 Ų | 64.2 | 21% | 0.209 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.4 | -45.8 | 177.6 | -71.4 | -6.2 | 0 | 0 | 0 | 111.7 | Q188 F189 Q194 T195 L196 T259 | Q188-N192 PolarHBondContact NE2-OD1 3.46Å; Q188-N192 VanDerWaalsContact O-CB 3.23Å; Q188-N192 WeakPolarHBondContact O-CB 3.44Å; Q188-N192 PolarHBondContact O-N 2.77Å; Q188-N192 PolarHBondContact O-ND2 3.1Å; Q188-N192 PolarHBondContact O-OD1 3.5Å; F189-N192 PolarHBondContact O-N 3.3Å; N192-Q194 PolarHBondContact O-N 3.02Å; N192-T195 PolarHBondContact O-N 3.43Å; N192-L196 WeakPolarHBondContact O-CB 3.2Å; N192-L196 VanDerWaalsContact O-CG 3.27Å; N192-L196 WeakPolarHBondContact O-CG 3.39Å; N192-L196 PolarHBondContact O-N 3.25Å; N192-T259 WeakPolarHBondContact OD1-CG2 3.41Å |
| 193 | F | 95.4 | Very high | 93.6 | Very high | 88 Ų | 88 | 63.9 Ų | 63.9 | 39% | 0.386 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.7 | -47.6 | 179.5 | 176.3 | -97.4 | 0 | 0 | 0 | 111.4 | P162 F189 W190 T195 L196 K197 | P162-F193 HydrophobicContact CB-CE1 4.41Å; P162-F193 HydrophobicContact CG-CE1 4.21Å; F189-F193 VanDerWaalsContact O-CB 3.25Å; F189-F193 WeakPolarHBondContact O-CB 3.3Å; F189-F193 PolarHBondContact O-N 2.81Å; W190-F193 HydrophobicContact CE3-CD1 4.09Å; W190-F193 HydrophobicContact CZ3-CD1 4.11Å; W190-F193 HydrophobicContact CZ3-CE1 4.35Å; W190-F193 PolarHBondContact O-N 3.39Å; F193-T195 PolarHBondContact O-N 3.22Å; F193-L196 PolarHBondContact O-N 3.1Å; F193-K197 WeakPolarHBondContact O-CB 3.4Å; F193-K197 PolarHBondContact O-N 3.46Å |
| 194 | Q | 93.6 | Very high | 94 | Very high | 17 Ų | 17 | 65 Ų | 65 | 8% | 0.079 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.7 | -44.1 | -179.6 | -174.4 | 70.1 | -9.3 | 0 | 0 | 111.5 | F182 W190 K191 N192 I198 | F182-Q194 HydrophobicContact CZ-CB 4.18Å; F182-Q194 HydrophobicContact CZ-CG 4.42Å; W190-Q194 WeakPolarHBondContact O-CB 3.36Å; W190-Q194 PolarHBondContact O-N 2.84Å; K191-Q194 PolarHBondContact O-N 3.49Å; N192-Q194 PolarHBondContact O-N 3.02Å; Q194-I198 HydrophobicContact CG-CD1 4.22Å; Q194-I198 WeakPolarHBondContact O-CG1 3.47Å; Q194-I198 PolarHBondContact O-N 3.36Å; Q194-I198 VanDerWaalsContact O-N 3.12Å |
| 195 | T | 94.5 | Very high | 94.4 | Very high | 8 Ų | 8 | 57.3 Ų | 57.3 | 5% | 0.049 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.5 | -51.2 | 176.8 | -66.9 | 0 | 0 | 0 | 0 | 111.9 | K191 N192 F193 K197 I198 V199 L255 L256 T259 | K191-T195 PolarHBondContact O-N 3.2Å; K191-T195 VanDerWaalsContact O-N 3.11Å; K191-T195 PolarHBondContact O-OG1 3.31Å; N192-T195 PolarHBondContact O-N 3.43Å; F193-T195 PolarHBondContact O-N 3.22Å; T195-K197 VanDerWaalsContact C-N 3.29Å; T195-K197 PolarHBondContact O-N 3.28Å; T195-I198 PolarHBondContact O-N 3.49Å; T195-V199 HydrophobicContact CG2-CG2 4.29Å; T195-V199 WeakPolarHBondContact O-CG2 3.48Å; T195-V199 PolarHBondContact O-N 3.26Å; T195-L255 HydrophobicContact CG2-CD2 4.42Å; T195-L255 HydrophobicContact CG2-CG 4.05Å; T195-L256 HydrophobicContact CG2-CD1 4.37Å; T195-T259 WeakPolarHBondContact CB-OG1 3.41Å; T195-T259 HydrophobicContact CG2-CG2 4.12Å; T195-T259 WeakPolarHBondContact CG2-OG1 3.33Å; T195-T259 PolarHBondContact OG1-OG1 3.21Å |
| 196 | L | 96.4 | Very high | 94.5 | Very high | 71 Ų | 71 | 52.2 Ų | 52.2 | 37% | 0.372 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.5 | -39.6 | -179.9 | -71 | 175.4 | 0 | 0 | 0 | 111.2 | N192 F193 I198 V199 I200 F260 | N192-L196 WeakPolarHBondContact O-CB 3.2Å; N192-L196 VanDerWaalsContact O-CG 3.27Å; N192-L196 WeakPolarHBondContact O-CG 3.39Å; N192-L196 PolarHBondContact O-N 3.25Å; F193-L196 PolarHBondContact O-N 3.1Å; L196-I198 PolarHBondContact O-N 3.05Å; L196-V199 PolarHBondContact O-N 2.96Å; L196-I200 HydrophobicContact CB-CD1 4.22Å; L196-I200 WeakPolarHBondContact O-CB 3.49Å; L196-I200 WeakPolarHBondContact O-CD1 3.48Å; L196-I200 WeakPolarHBondContact O-CG1 3.24Å; L196-I200 PolarHBondContact O-N 3.14Å; L196-F260 HydrophobicContact CD2-CE2 4.39Å; L196-F260 HydrophobicContact CD2-CZ 4.42Å |
| 197 | K | 96.3 | Very high | 94.7 | Very high | 22 Ų | 22 | 51.2 Ų | 51.2 | 10% | 0.096 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.6 | -49.7 | 174.5 | -177.9 | -158.2 | 74.1 | 177.5 | 0 | 111.6 | F113 A159 F193 T195 L201 | F113-K197 HydrophobicContact CZ-CD 4.5Å; A159-K197 PolarHBondContact O-NZ 3.31Å; F193-K197 WeakPolarHBondContact O-CB 3.4Å; F193-K197 PolarHBondContact O-N 3.46Å; T195-K197 VanDerWaalsContact C-N 3.29Å; T195-K197 PolarHBondContact O-N 3.28Å; K197-L201 HydrophobicContact CG-CD1 3.87Å; K197-L201 WeakPolarHBondContact O-CB 3.44Å; K197-L201 VanDerWaalsContact O-CG 3.32Å; K197-L201 WeakPolarHBondContact O-CG 3.32Å; K197-L201 PolarHBondContact O-N 3.19Å |
| 198 | I | 95.5 | Very high | 95 | Very high | 11 Ų | 11 | 50.8 Ų | 50.8 | 6% | 0.056 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.8 | -47.5 | 180 | -67.9 | 166 | 0 | 0 | 0 | 110.3 | F109 F113 Q194 T195 L196 G202 N252 L255 | F109-I198 HydrophobicContact CE1-CD1 3.96Å; F109-I198 HydrophobicContact CE1-CG1 4.41Å; F109-I198 HydrophobicContact CZ-CD1 4.44Å; F113-I198 HydrophobicContact CZ-CG1 4.34Å; Q194-I198 HydrophobicContact CG-CD1 4.22Å; Q194-I198 WeakPolarHBondContact O-CG1 3.47Å; Q194-I198 PolarHBondContact O-N 3.36Å; Q194-I198 VanDerWaalsContact O-N 3.12Å; T195-I198 PolarHBondContact O-N 3.49Å; L196-I198 PolarHBondContact O-N 3.05Å; I198-G202 VanDerWaalsContact O-CA 3.3Å; I198-G202 WeakPolarHBondContact O-CA 3.28Å; I198-G202 PolarHBondContact O-N 3.41Å; I198-N252 PolarHBondContact O-OD1 3.06Å; I198-L255 HydrophobicContact CB-CD2 4.03Å; I198-L255 HydrophobicContact CD1-CD2 4.02Å; I198-L255 HydrophobicContact CG2-CD2 3.79Å |
| 199 | V | 96.6 | Very high | 95.3 | Very high | 13 Ų | 13 | 47.4 Ų | 47.4 | 8% | 0.079 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.8 | -42.7 | -179 | 173.8 | 0 | 0 | 0 | 0 | 112 | T195 L196 L203 V204 N252 L256 | T195-V199 HydrophobicContact CG2-CG2 4.29Å; T195-V199 WeakPolarHBondContact O-CG2 3.48Å; T195-V199 PolarHBondContact O-N 3.26Å; L196-V199 PolarHBondContact O-N 2.96Å; V199-L203 WeakPolarHBondContact O-CA 3.44Å; V199-L203 VanDerWaalsContact O-CB 3.28Å; V199-L203 WeakPolarHBondContact O-CB 3.36Å; V199-L203 PolarHBondContact O-N 2.94Å; V199-V204 HydrophobicContact CG1-CG2 4.25Å; V199-V204 PolarHBondContact O-N 2.92Å; V199-N252 HydrophobicContact CG2-CB 4.42Å; V199-L256 HydrophobicContact CG2-CB 4.48Å; V199-L256 HydrophobicContact CG2-CD1 4.42Å |
| 200 | I | 97.4 | Very high | 95.2 | Very high | 87 Ų | 87 | 42.8 Ų | 42.8 | 45% | 0.446 | 22% | 0.218 | S | C | . | . | I | π-helix | trans | -66.2 | -50.3 | -179.3 | -69.9 | 166.5 | 0 | 0 | 0 | 110.1 | L196 V204 L205 | L196-I200 HydrophobicContact CB-CD1 4.22Å; L196-I200 WeakPolarHBondContact O-CB 3.49Å; L196-I200 WeakPolarHBondContact O-CD1 3.48Å; L196-I200 WeakPolarHBondContact O-CG1 3.24Å; L196-I200 PolarHBondContact O-N 3.14Å; I200-V204 PolarHBondContact O-N 3.07Å; I200-L205 VanDerWaalsContact O-CB 3.23Å; I200-L205 WeakPolarHBondContact O-CB 3.23Å; I200-L205 PolarHBondContact O-N 2.8Å |
| 201 | L | 97 | Very high | 95.2 | Very high | 39 Ų | 39 | 44.4 Ų | 44.4 | 20% | 0.204 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -76.7 | -33.9 | -175.8 | -61.7 | 178.1 | 0 | 0 | 0 | 112.8 | F113 F117 A159 K197 L205 P206 | F113-L201 HydrophobicContact CD1-CB 4.27Å; F113-L201 HydrophobicContact CD1-CD1 4.28Å; F113-L201 HydrophobicContact CE1-CB 4.03Å; F113-L201 HydrophobicContact CE1-CD1 3.99Å; F117-L201 HydrophobicContact CE1-CB 4.38Å; F117-L201 HydrophobicContact CE1-CD2 4.39Å; F117-L201 HydrophobicContact CZ-CD1 4.3Å; F117-L201 HydrophobicContact CZ-CD2 4.41Å; A159-L201 HydrophobicContact CB-CD1 4.29Å; K197-L201 HydrophobicContact CG-CD1 3.87Å; K197-L201 WeakPolarHBondContact O-CB 3.44Å; K197-L201 VanDerWaalsContact O-CG 3.32Å; K197-L201 WeakPolarHBondContact O-CG 3.32Å; K197-L201 PolarHBondContact O-N 3.19Å; L201-L205 HydrophobicContact CD2-CD2 4.31Å; L201-P206 WeakPolarHBondContact O-CD 3.24Å |
| 202 | G | 93.9 | Very high | 95.4 | Very high | 5 Ų | 5 | 46.5 Ų | 46.5 | 5% | 0.052 | 25% | 0.247 | C | C | . | . | I | π-helix | trans | -93.9 | -17.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | I198 P206 Y244 | I198-G202 VanDerWaalsContact O-CA 3.3Å; I198-G202 WeakPolarHBondContact O-CA 3.28Å; I198-G202 PolarHBondContact O-N 3.41Å; G202-P206 WeakPolarHBondContact O-CG 3.43Å; G202-Y244 VanDerWaalsContact O-CE1 3.28Å; G202-Y244 WeakPolarHBondContact O-CE1 3.4Å; G202-Y244 PolarHBondContact O-OH 3.44Å |
| 203 | L | 95.4 | Very high | 95.3 | Very high | 29 Ų | 29 | 45 Ų | 45 | 15% | 0.152 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -129.8 | -56.7 | -179.1 | -176.7 | 63.9 | 0 | 0 | 0 | 112.6 | V199 P206 L207 F245 A249 N252 I253 | V199-L203 WeakPolarHBondContact O-CA 3.44Å; V199-L203 VanDerWaalsContact O-CB 3.28Å; V199-L203 WeakPolarHBondContact O-CB 3.36Å; V199-L203 PolarHBondContact O-N 2.94Å; L203-P206 WeakPolarHBondContact O-CD 3.27Å; L203-P206 WeakPolarHBondContact O-CG 3.49Å; L203-L207 WeakPolarHBondContact O-CB 3.3Å; L203-L207 PolarHBondContact O-N 3.18Å; L203-L207 VanDerWaalsContact O-N 3.08Å; L203-F245 HydrophobicContact CD1-CD1 3.81Å; L203-F245 HydrophobicContact CD1-CE1 3.9Å; L203-A249 HydrophobicContact CD1-CB 3.75Å; L203-N252 HydrophobicContact CB-CB 4.18Å; L203-N252 HydrophobicContact CD2-CB 3.95Å; L203-I253 HydrophobicContact CD2-CG1 4.49Å |
| 204 | V | 97.2 | Very high | 94.9 | Very high | 76 Ų | 76 | 42.1 Ų | 42.1 | 46% | 0.461 | 23% | 0.226 | S | C | . | . | I | π-helix | trans | -67.3 | -49.4 | -171.9 | -178.7 | 0 | 0 | 0 | 0 | 111.7 | V199 I200 L207 L208 | V199-V204 HydrophobicContact CG1-CG2 4.25Å; V199-V204 PolarHBondContact O-N 2.92Å; I200-V204 PolarHBondContact O-N 3.07Å; V204-L207 PolarHBondContact O-N 3.27Å; V204-L208 WeakPolarHBondContact O-CB 3.48Å; V204-L208 PolarHBondContact O-N 3.03Å |
| 205 | L | 96.8 | Very high | 94.7 | Very high | 62 Ų | 62 | 44.7 Ų | 44.7 | 33% | 0.325 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.7 | -54.4 | 179.3 | 178.4 | 66.5 | 0 | 0 | 0 | 112.7 | F117 I120 I200 L201 L207 L208 V209 | F117-L205 HydrophobicContact CE1-CD2 4.41Å; I120-L205 HydrophobicContact CD1-CD2 3.93Å; I120-L205 HydrophobicContact CD1-CG 3.97Å; I200-L205 VanDerWaalsContact O-CB 3.23Å; I200-L205 WeakPolarHBondContact O-CB 3.23Å; I200-L205 PolarHBondContact O-N 2.8Å; L201-L205 HydrophobicContact CD2-CD2 4.31Å; L205-L207 VanDerWaalsContact C-N 3.26Å; L205-L207 PolarHBondContact O-N 3.35Å; L205-L208 PolarHBondContact O-N 3.02Å; L205-V209 HydrophobicContact CD1-CG2 4.46Å; L205-V209 WeakPolarHBondContact O-CG2 3.33Å; L205-V209 PolarHBondContact O-N 3.35Å |
| 206 | P | 94.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.3 | -33.1 | 178.7 | 23.6 | -33.4 | 0 | 0 | 0 | 112.3 | I116 I120 L201 G202 L203 V209 M210 M241 Y244 F245 | I116-P206 HydrophobicContact CD1-CB 3.6Å; I116-P206 HydrophobicContact CD1-CG 3.86Å; I116-P206 HydrophobicContact CG1-CB 4.04Å; I116-P206 HydrophobicContact CG1-CG 3.9Å; I120-P206 HydrophobicContact CD1-CB 4.01Å; I120-P206 HydrophobicContact CG1-CB 3.98Å; L201-P206 WeakPolarHBondContact O-CD 3.24Å; G202-P206 WeakPolarHBondContact O-CG 3.43Å; L203-P206 WeakPolarHBondContact O-CD 3.27Å; L203-P206 WeakPolarHBondContact O-CG 3.49Å; P206-V209 PolarHBondContact O-N 3.15Å; P206-M210 VanDerWaalsContact O-CB 3.26Å; P206-M210 WeakPolarHBondContact O-CB 3.36Å; P206-M210 PolarHBondContact O-N 3.27Å; P206-M241 HydrophobicContact CB-SD 4.32Å; P206-Y244 HydrophobicContact CG-CE1 4.46Å; P206-F245 HydrophobicContact CB-CE1 4.25Å; P206-F245 HydrophobicContact CB-CZ 3.84Å; P206-F245 HydrophobicContact CG-CE1 4.03Å; P206-F245 HydrophobicContact CG-CZ 4.12Å |
| 207 | L | 95.6 | Very high | 93.9 | Very high | 81 Ų | 81 | 41.7 Ų | 41.7 | 42% | 0.424 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -67.4 | -43.2 | 177.3 | -173.7 | 69.8 | 0 | 0 | 0 | 111.2 | L203 V204 L205 M210 V211 F245 | L203-L207 WeakPolarHBondContact O-CB 3.3Å; L203-L207 PolarHBondContact O-N 3.18Å; L203-L207 VanDerWaalsContact O-N 3.08Å; V204-L207 PolarHBondContact O-N 3.27Å; L205-L207 VanDerWaalsContact C-N 3.26Å; L205-L207 PolarHBondContact O-N 3.35Å; L207-M210 WeakPolarHBondContact O-CB 3.45Å; L207-M210 PolarHBondContact O-N 2.97Å; L207-V211 WeakPolarHBondContact O-CG2 3.44Å; L207-V211 PolarHBondContact O-N 2.81Å; L207-F245 HydrophobicContact CB-CE1 4.28Å; L207-F245 HydrophobicContact CB-CZ 4.05Å; L207-F245 HydrophobicContact CD1-CE2 4.48Å; L207-F245 HydrophobicContact CD1-CZ 4.26Å |
| 208 | L | 96.7 | Very high | 93.4 | Very high | 99 Ų | 99 | 45.6 Ų | 45.6 | 52% | 0.518 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60 | -48 | 175 | -179.8 | 64 | 0 | 0 | 0 | 111.2 | V204 L205 M210 V211 I212 | V204-L208 WeakPolarHBondContact O-CB 3.48Å; V204-L208 PolarHBondContact O-N 3.03Å; L205-L208 PolarHBondContact O-N 3.02Å; L208-M210 VanDerWaalsContact C-N 3.28Å; L208-M210 PolarHBondContact O-N 3.01Å; L208-V211 PolarHBondContact O-N 3.41Å; L208-I212 HydrophobicContact CD1-CD1 3.8Å; L208-I212 HydrophobicContact CD1-CG1 4.35Å; L208-I212 HydrophobicContact CG-CD1 3.88Å; L208-I212 WeakPolarHBondContact O-CG1 3.27Å; L208-I212 PolarHBondContact O-N 3.34Å |
| 209 | V | 95.5 | Very high | 93 | Very high | 20 Ų | 20 | 52.7 Ų | 52.7 | 12% | 0.121 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60 | -42.3 | 176.3 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | I120 T123 I124 L205 P206 C213 | I120-V209 HydrophobicContact CG2-CG1 4.23Å; I120-V209 HydrophobicContact CG2-CG2 4.05Å; T123-V209 HydrophobicContact CG2-CG1 4.02Å; I124-V209 HydrophobicContact CD1-CG1 4.46Å; I124-V209 HydrophobicContact CG1-CG1 3.95Å; L205-V209 HydrophobicContact CD1-CG2 4.46Å; L205-V209 WeakPolarHBondContact O-CG2 3.33Å; L205-V209 PolarHBondContact O-N 3.35Å; P206-V209 PolarHBondContact O-N 3.15Å; V209-C213 WeakPolarHBondContact O-CB 3.29Å; V209-C213 PolarHBondContact O-N 3.27Å; V209-C213 PolarHBondContact O-SG 2.81Å |
| 210 | M | 92.2 | Very high | 92.2 | Very high | 28 Ų | 28 | 53.8 Ų | 53.8 | 14% | 0.138 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.7 | -51.6 | 177.9 | -175.5 | -170.5 | 174.6 | 0 | 0 | 111.2 | P206 L207 L208 I212 C213 Y214 F238 M241 I242 F245 | P206-M210 VanDerWaalsContact O-CB 3.26Å; P206-M210 WeakPolarHBondContact O-CB 3.36Å; P206-M210 PolarHBondContact O-N 3.27Å; L207-M210 WeakPolarHBondContact O-CB 3.45Å; L207-M210 PolarHBondContact O-N 2.97Å; L208-M210 VanDerWaalsContact C-N 3.28Å; L208-M210 PolarHBondContact O-N 3.01Å; M210-I212 PolarHBondContact O-N 3.29Å; M210-C213 PolarHBondContact O-N 3.23Å; M210-Y214 HydrophobicContact CB-CD2 4.31Å; M210-Y214 HydrophobicContact CG-CD2 3.54Å; M210-Y214 HydrophobicContact CG-CE2 3.94Å; M210-Y214 WeakPolarHBondContact O-CB 3.16Å; M210-Y214 VanDerWaalsContact O-CD2 3.28Å; M210-Y214 WeakPolarHBondContact O-CD2 3.31Å; M210-Y214 PolarHBondContact O-N 3.01Å; M210-F238 HydrophobicContact CE-CD2 4.27Å; M210-F238 HydrophobicContact CE-CE2 3.56Å; M210-F238 HydrophobicContact CE-CZ 4.27Å; M210-M241 HydrophobicContact CB-CG 4.45Å; M210-M241 HydrophobicContact CG-CG 4.19Å; M210-M241 HydrophobicContact SD-CG 4.06Å; M210-I242 HydrophobicContact CE-CD1 3.29Å; M210-I242 HydrophobicContact CE-CG1 4.29Å; M210-I242 HydrophobicContact SD-CD1 4.39Å; M210-F245 HydrophobicContact SD-CD2 4.06Å; M210-F245 HydrophobicContact SD-CE2 3.55Å; M210-F245 VanDerWaalsContact SD-CE2 3.55Å |
| 211 | V | 93.7 | Very high | 91.3 | Very high | 92 Ų | 92 | 50.8 Ų | 50.8 | 56% | 0.558 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -59.7 | -47.2 | -179.1 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | L207 L208 S215 | L207-V211 WeakPolarHBondContact O-CG2 3.44Å; L207-V211 PolarHBondContact O-N 2.81Å; L208-V211 PolarHBondContact O-N 3.41Å; V211-S215 WeakPolarHBondContact O-CB 3.4Å; V211-S215 PolarHBondContact O-N 2.95Å; V211-S215 VanDerWaalsContact O-N 3.17Å; V211-S215 PolarHBondContact O-OG 3.46Å |
| 212 | I | 94.1 | Very high | 90.5 | Very high | 89 Ų | 89 | 55.4 Ų | 55.4 | 46% | 0.456 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.3 | -49.2 | -179.2 | -64.4 | 169.3 | 0 | 0 | 0 | 111 | L208 M210 S215 G216 | L208-I212 HydrophobicContact CD1-CD1 3.8Å; L208-I212 HydrophobicContact CD1-CG1 4.35Å; L208-I212 HydrophobicContact CG-CD1 3.88Å; L208-I212 WeakPolarHBondContact O-CG1 3.27Å; L208-I212 PolarHBondContact O-N 3.34Å; M210-I212 PolarHBondContact O-N 3.29Å; I212-S215 PolarHBondContact O-OG 2.92Å; I212-G216 PolarHBondContact O-N 2.87Å |
| 213 | C | 92.4 | Very high | 89.8 | Confident | 7 Ų | 7 | 65.4 Ų | 65.4 | 5% | 0.047 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -69.8 | -47.1 | -174.5 | -68.4 | 0 | 0 | 0 | 0 | 111.8 | T123 Y127 V209 M210 G216 I217 | T123-C213 HydrophobicContact CG2-CB 3.65Å; Y127-C213 HydrophobicContact CD2-CB 3.98Å; Y127-C213 WeakPolarHBondContact CD2-O 3.45Å; Y127-C213 HydrophobicContact CG-CB 4.14Å; V209-C213 WeakPolarHBondContact O-CB 3.29Å; V209-C213 PolarHBondContact O-N 3.27Å; V209-C213 PolarHBondContact O-SG 2.81Å; M210-C213 PolarHBondContact O-N 3.23Å; C213-G216 PolarHBondContact O-N 3.15Å; C213-I217 VanDerWaalsContact O-CG1 3.24Å; C213-I217 WeakPolarHBondContact O-CG1 3.34Å; C213-I217 PolarHBondContact O-N 3.45Å |
| 214 | Y | 88.3 | Confident | 88.5 | Confident | 29 Ų | 29 | 67.2 Ų | 67.2 | 11% | 0.114 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -73.7 | -29.4 | -175.9 | -75.2 | -76.7 | 0 | 0 | 0 | 113.1 | T123 M210 I217 L218 V234 I237 F238 | T123-Y214 HydrophobicContact CG2-CD2 4.44Å; T123-Y214 HydrophobicContact CG2-CE2 3.81Å; M210-Y214 HydrophobicContact CB-CD2 4.31Å; M210-Y214 HydrophobicContact CG-CD2 3.54Å; M210-Y214 HydrophobicContact CG-CE2 3.94Å; M210-Y214 WeakPolarHBondContact O-CB 3.16Å; M210-Y214 VanDerWaalsContact O-CD2 3.28Å; M210-Y214 WeakPolarHBondContact O-CD2 3.31Å; M210-Y214 PolarHBondContact O-N 3.01Å; Y214-I217 HydrophobicContact CD1-CD1 4.17Å; Y214-I217 HydrophobicContact CE1-CD1 4.28Å; Y214-I217 PolarHBondContact O-N 3.03Å; Y214-L218 WeakPolarHBondContact O-CB 3.5Å; Y214-L218 PolarHBondContact O-N 3.47Å; Y214-V234 HydrophobicContact CE1-CG1 4.15Å; Y214-I237 VanDerWaalsContact OH-C 3.28Å; Y214-F238 AromaticContact CD1-CD2 3.74Å; Y214-F238 HydrophobicContact CD1-CD2 3.74Å; Y214-F238 HydrophobicContact CD1-CE2 4.41Å; Y214-F238 HydrophobicContact CD2-CD2 4.25Å; Y214-F238 HydrophobicContact CE1-CB 3.71Å; Y214-F238 AromaticContact CE1-CD2 3.5Å; Y214-F238 HydrophobicContact CE1-CD2 3.5Å; Y214-F238 VanDerWaalsContact CE1-CD2 3.5Å; Y214-F238 HydrophobicContact CE1-CG 4.04Å; Y214-F238 HydrophobicContact CE2-CD2 4.04Å; Y214-F238 HydrophobicContact CG-CD2 4.12Å; Y214-F238 HydrophobicContact CG-CE2 4.49Å; Y214-F238 AromaticContact CZ-CD2 3.67Å; Y214-F238 WeakPolarHBondContact OH-CA 3.5Å; Y214-F238 PolarHBondContact OH-N 3.27Å |
| 215 | S | 89.1 | Confident | 87 | Confident | 70 Ų | 70 | 67.8 Ų | 67.8 | 49% | 0.49 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.5 | -45.2 | 171.3 | 59.1 | 0 | 0 | 0 | 0 | 111.6 | V211 I212 L218 K219 | V211-S215 WeakPolarHBondContact O-CB 3.4Å; V211-S215 PolarHBondContact O-N 2.95Å; V211-S215 VanDerWaalsContact O-N 3.17Å; V211-S215 PolarHBondContact O-OG 3.46Å; I212-S215 PolarHBondContact O-OG 2.92Å; S215-L218 PolarHBondContact O-N 3.08Å; S215-K219 WeakPolarHBondContact O-CB 3.34Å; S215-K219 PolarHBondContact O-N 2.83Å |
| 216 | G | 87.4 | Confident | 85.2 | Confident | 14 Ų | 14 | 72.3 Ų | 72.3 | 14% | 0.144 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -67.4 | -40.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | I212 C213 K219 T220 | I212-G216 PolarHBondContact O-N 2.87Å; C213-G216 PolarHBondContact O-N 3.15Å; G216-K219 PolarHBondContact O-N 3.5Å; G216-T220 PolarHBondContact O-N 3Å; G216-T220 VanDerWaalsContact O-N 3.13Å; G216-T220 PolarHBondContact O-OG1 3.05Å |
| 217 | I | 86.3 | Confident | 83.8 | Confident | 3 Ų | 3 | 77.7 Ų | 77.7 | 2% | 0.015 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -60.5 | -49 | 174.3 | -70.4 | 164.3 | 0 | 0 | 0 | 110.1 | Y127 V130 V131 C213 Y214 K219 T220 L221 V234 | Y127-I217 HydrophobicContact CD2-CG1 4.24Å; V130-I217 HydrophobicContact CB-CG1 4.34Å; V130-I217 HydrophobicContact CG1-CG1 4.4Å; V130-I217 HydrophobicContact CG1-CG2 4.31Å; V131-I217 HydrophobicContact CG2-CG1 4.42Å; C213-I217 VanDerWaalsContact O-CG1 3.24Å; C213-I217 WeakPolarHBondContact O-CG1 3.34Å; C213-I217 PolarHBondContact O-N 3.45Å; Y214-I217 HydrophobicContact CD1-CD1 4.17Å; Y214-I217 HydrophobicContact CE1-CD1 4.28Å; Y214-I217 PolarHBondContact O-N 3.03Å; I217-K219 PolarHBondContact O-N 3.46Å; I217-T220 PolarHBondContact O-N 3.43Å; I217-L221 HydrophobicContact CG2-CD1 3.75Å; I217-L221 HydrophobicContact CG2-CG 4.06Å; I217-L221 WeakPolarHBondContact O-CB 3.3Å; I217-L221 VanDerWaalsContact O-CG 3.29Å; I217-L221 WeakPolarHBondContact O-CG 3.45Å; I217-L221 PolarHBondContact O-N 3.33Å; I217-V234 HydrophobicContact CG2-CG1 3.83Å; I217-V234 HydrophobicContact CG2-CG2 4.05Å |
| 218 | L | 85.4 | Confident | 82.4 | Confident | 104 Ų | 104 | 82 Ų | 82 | 55% | 0.545 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.4 | -44.1 | -178.4 | -173.4 | 62.3 | 0 | 0 | 0 | 111.3 | Y214 S215 T220 L221 L222 | Y214-L218 WeakPolarHBondContact O-CB 3.5Å; Y214-L218 PolarHBondContact O-N 3.47Å; S215-L218 PolarHBondContact O-N 3.08Å; L218-T220 VanDerWaalsContact C-N 3.3Å; L218-T220 PolarHBondContact O-N 3.44Å; L218-L221 PolarHBondContact O-N 3.21Å; L218-L222 HydrophobicContact CD1-CG 4.44Å; L218-L222 HydrophobicContact CG-CD1 4.14Å; L218-L222 HydrophobicContact CG-CG 4.49Å; L218-L222 WeakPolarHBondContact O-CB 3.46Å; L218-L222 VanDerWaalsContact O-CG 3.26Å; L218-L222 WeakPolarHBondContact O-CG 3.21Å; L218-L222 PolarHBondContact O-N 3Å |
| 219 | K | 86.5 | Confident | 80.7 | Confident | 160 Ų | 160 | 84.7 Ų | 84.7 | 70% | 0.696 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -56.9 | -43.3 | 175.7 | -173.1 | 176.2 | -178.8 | 176.6 | 0 | 112.1 | S215 G216 I217 R223 | S215-K219 WeakPolarHBondContact O-CB 3.34Å; S215-K219 PolarHBondContact O-N 2.83Å; G216-K219 PolarHBondContact O-N 3.5Å; I217-K219 PolarHBondContact O-N 3.46Å; K219-R223 PolarHBondContact O-N 2.9Å |
| 220 | T | 81.5 | Confident | 79.4 | Confident | 36 Ų | 36 | 86.2 Ų | 86.2 | 22% | 0.221 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -74.2 | -33.9 | 179.2 | -59.8 | 0 | 0 | 0 | 0 | 112.9 | V130 G216 I217 L218 R223 C224 | V130-T220 HydrophobicContact CG1-CG2 4.07Å; G216-T220 PolarHBondContact O-N 3Å; G216-T220 VanDerWaalsContact O-N 3.13Å; G216-T220 PolarHBondContact O-OG1 3.05Å; I217-T220 PolarHBondContact O-N 3.43Å; L218-T220 VanDerWaalsContact C-N 3.3Å; L218-T220 PolarHBondContact O-N 3.44Å; T220-R223 PolarHBondContact O-N 3.16Å; T220-C224 PolarHBondContact O-N 3.02Å |
| 221 | L | 77.3 | Confident | 78.4 | Confident | 24 Ų | 24 | 88.4 Ų | 88.4 | 13% | 0.126 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -67 | -41 | 174.8 | -72.3 | -178.3 | 0 | 0 | 0 | 111.8 | I217 L218 R223 C224 R230 | I217-L221 HydrophobicContact CG2-CD1 3.75Å; I217-L221 HydrophobicContact CG2-CG 4.06Å; I217-L221 WeakPolarHBondContact O-CB 3.3Å; I217-L221 VanDerWaalsContact O-CG 3.29Å; I217-L221 WeakPolarHBondContact O-CG 3.45Å; I217-L221 PolarHBondContact O-N 3.33Å; L218-L221 PolarHBondContact O-N 3.21Å; L221-R223 VanDerWaalsContact C-N 3.27Å; L221-R223 PolarHBondContact O-N 3.03Å; L221-C224 CarbonylContact O-C 3.08Å; L221-C224 PolarHBondContact O-N 3.42Å; L221-R230 HydrophobicContact CD2-CG 4.32Å; L221-R230 VanDerWaalsContact CD2-NE 3.34Å |
| 222 | L | 79.8 | Confident | 77.4 | Confident | 135 Ų | 135 | 90.2 Ų | 90.2 | 71% | 0.707 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -64.4 | -32.7 | 176.4 | -69.7 | 170.8 | 0 | 0 | 0 | 112.3 | L218 | L218-L222 HydrophobicContact CD1-CG 4.44Å; L218-L222 HydrophobicContact CG-CD1 4.14Å; L218-L222 HydrophobicContact CG-CG 4.49Å; L218-L222 WeakPolarHBondContact O-CB 3.46Å; L218-L222 VanDerWaalsContact O-CG 3.26Å; L218-L222 WeakPolarHBondContact O-CG 3.21Å; L218-L222 PolarHBondContact O-N 3Å |
| 223 | R | 79.3 | Confident | 76.2 | Confident | 216 Ų | 216 | 87.5 Ų | 87.5 | 82% | 0.815 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -78.9 | -25.1 | -180 | -160.9 | 173.6 | -176 | -179 | 1.5 | 113.7 | K219 T220 L221 | K219-R223 PolarHBondContact O-N 2.9Å; T220-R223 PolarHBondContact O-N 3.16Å; L221-R223 VanDerWaalsContact C-N 3.27Å; L221-R223 PolarHBondContact O-N 3.03Å |
| 224 | C | 68.1 | Low | 75.6 | Confident | 67 Ų | 67 | 87.9 Ų | 87.9 | 45% | 0.453 | 43% | 0.432 | S | S | . | . | trans | -139.8 | 90.3 | -177.2 | -60.3 | 0 | 0 | 0 | 0 | 111.3 | T220 L221 N226 R230 | T220-C224 PolarHBondContact O-N 3.02Å; L221-C224 CarbonylContact O-C 3.08Å; L221-C224 PolarHBondContact O-N 3.42Å; C224-N226 PolarHBondContact O-N 3.27Å; C224-R230 PolarHBondContact O-NH2 2.86Å | ||
| 225 | P | 65.9 | Low | 75.3 | Confident | 88 Ų | 88 | 92.6 Ų | 92.6 | 57% | 0.571 | 45% | 0.449 | S | S | * | . | trans | -75.4 | -14.9 | -172.6 | -11.7 | 24.4 | 0 | 0 | 0 | 115.8 | E227 | P225-E227 VanDerWaalsContact C-N 3.35Å; P225-E227 PolarHBondContact O-N 3.42Å; P225-E227 VanDerWaalsContact O-N 3.14Å | ||
| 226 | N | 59.2 | Low | 75 | Confident | 156 Ų | 156 | 90.7 Ų | 90.7 | 83% | 0.834 | 43% | 0.434 | S | S | * | . | trans | -82.9 | 10.9 | -157.8 | -74.9 | -6.1 | 0 | 0 | 0 | 117.1 | C224 | C224-N226 PolarHBondContact O-N 3.27Š| ||
| 227 | E | 66.1 | Low | 74.8 | Confident | 114 Ų | 114 | 90.2 Ų | 90.2 | 53% | 0.533 | 43% | 0.428 | S | S | . | . | trans | -116.7 | 77.5 | -171.7 | -83.2 | -80 | 167.4 | 0 | 0 | 113 | P225 K229 R230 H231 | P225-E227 VanDerWaalsContact C-N 3.35Å; P225-E227 PolarHBondContact O-N 3.42Å; P225-E227 VanDerWaalsContact O-N 3.14Å; E227-K229 PolarHBondContact O-N 2.7Å; E227-K229 VanDerWaalsContact O-N 3.1Å; E227-R230 HydrophobicContact CB-CB 3.99Å; E227-R230 WeakPolarHBondContact O-CB 3.42Å; E227-R230 PolarHBondContact O-N 3.24Å; E227-H231 PolarHBondContact O-CD2 2.84Å; E227-H231 PolarHBondContact O-N 3.2Å | ||
| 228 | K | 65.3 | Low | 74.9 | Confident | 172 Ų | 172 | 94 Ų | 94 | 75% | 0.748 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -52.9 | -33.2 | -178.6 | -70.1 | -179.4 | -179.8 | 175.7 | 0 | 114 | R232 | K228-R232 PolarHBondContact O-N 3.02Å |
| 229 | K | 62 | Low | 75.1 | Confident | 154 Ų | 154 | 90.9 Ų | 90.9 | 67% | 0.67 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -69.1 | -33.9 | -179.8 | -166.7 | 177.5 | 179.8 | -178.1 | 0 | 112.2 | E227 R232 | E227-K229 PolarHBondContact O-N 2.7Å; E227-K229 VanDerWaalsContact O-N 3.1Å; K229-R232 PolarHBondContact O-N 2.8Å |
| 230 | R | 67.7 | Low | 75.3 | Confident | 52 Ų | 52 | 83.3 Ų | 83.3 | 20% | 0.196 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -66.8 | -42.8 | 177.3 | -170 | 171.1 | 67.6 | 168.5 | 2.3 | 111.6 | V130 L221 C224 E227 R232 A233 V234 | V130-R230 HydrophobicContact CG2-CG 3.87Å; L221-R230 HydrophobicContact CD2-CG 4.32Å; L221-R230 VanDerWaalsContact CD2-NE 3.34Å; C224-R230 PolarHBondContact O-NH2 2.86Å; E227-R230 HydrophobicContact CB-CB 3.99Å; E227-R230 WeakPolarHBondContact O-CB 3.42Å; E227-R230 PolarHBondContact O-N 3.24Å; R230-R232 VanDerWaalsContact C-N 3.32Å; R230-R232 PolarHBondContact O-N 3.09Å; R230-A233 PolarHBondContact O-N 2.68Å; R230-V234 WeakPolarHBondContact O-CG2 3.14Å; R230-V234 PolarHBondContact O-N 3.32Å |
| 231 | H | 71.2 | Confident | 75.7 | Confident | 75 Ų | 75 | 81.6 Ų | 81.6 | 35% | 0.347 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.3 | -38.6 | 177.3 | -69.8 | -80.5 | 0 | 0 | 0 | 113 | E227 R235 | E227-H231 PolarHBondContact O-CD2 2.84Å; E227-H231 PolarHBondContact O-N 3.2Å; H231-R235 WeakPolarHBondContact O-CB 3.46Å; H231-R235 PolarHBondContact O-N 2.98Å |
| 232 | R | 72.4 | Confident | 76.5 | Confident | 130 Ų | 130 | 83.1 Ų | 83.1 | 49% | 0.491 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66 | -43.2 | -179 | -67.3 | -177.5 | -170.9 | 174.3 | 4.7 | 112.9 | K228 K229 R230 R235 L236 E302 | K228-R232 PolarHBondContact O-N 3.02Å; K229-R232 PolarHBondContact O-N 2.8Å; R230-R232 VanDerWaalsContact C-N 3.32Å; R230-R232 PolarHBondContact O-N 3.09Å; R232-R235 PolarHBondContact O-N 3.34Å; R232-L236 PolarHBondContact O-N 3.1Å; R232-L236 VanDerWaalsContact O-N 3.14Å; R232-E302 IonicContact CZ-OE1 3.21Å; R232-E302 IonicContact CZ-OE2 3.78Å; R232-E302 IonicContact NE-OE1 3.53Å; R232-E302 IonicContact NE-OE2 2.75Å; R232-E302 IonicContact NH1-OE2 3.88Å; R232-E302 PolarHBondContact NH1-OE2 3.19Å |
| 233 | A | 70 | Confident | 77.2 | Confident | 32 Ų | 32 | 77.8 Ų | 77.8 | 26% | 0.264 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -69.4 | -39.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | R230 L236 I237 | R230-A233 PolarHBondContact O-N 2.68Å; A233-L236 PolarHBondContact O-N 2.94Å; A233-I237 PolarHBondContact O-N 2.83Å |
| 234 | V | 78.9 | Confident | 77.9 | Confident | 15 Ų | 15 | 67.8 Ų | 67.8 | 9% | 0.091 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 173.7 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | V130 Y214 I217 R230 L236 I237 F238 | V130-V234 HydrophobicContact CG2-CG2 4.09Å; Y214-V234 HydrophobicContact CE1-CG1 4.15Å; I217-V234 HydrophobicContact CG2-CG1 3.83Å; I217-V234 HydrophobicContact CG2-CG2 4.05Å; R230-V234 WeakPolarHBondContact O-CG2 3.14Å; R230-V234 PolarHBondContact O-N 3.32Å; V234-L236 PolarHBondContact O-N 3.43Å; V234-I237 PolarHBondContact O-N 3.18Å; V234-F238 VanDerWaalsContact O-CB 3.26Å; V234-F238 WeakPolarHBondContact O-CB 3.3Å; V234-F238 PolarHBondContact O-N 3.04Å |
| 235 | R | 82.8 | Confident | 79.2 | Confident | 127 Ų | 127 | 65.8 Ų | 65.8 | 48% | 0.479 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -57.5 | -46.2 | 177.3 | -173.1 | 177.7 | 71.3 | -174.1 | 2.2 | 111.8 | H231 R232 F238 T239 | H231-R235 WeakPolarHBondContact O-CB 3.46Å; H231-R235 PolarHBondContact O-N 2.98Å; R232-R235 PolarHBondContact O-N 3.34Å; R235-F238 PolarHBondContact O-N 3.3Å; R235-T239 PolarHBondContact O-N 3.38Å; R235-T239 PolarHBondContact O-OG1 3.45Å |
| 236 | L | 82.8 | Confident | 80.7 | Confident | 31 Ų | 31 | 66.9 Ų | 66.9 | 16% | 0.162 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.7 | -52.2 | 179.5 | 179.7 | 64.3 | 0 | 0 | 0 | 112 | R232 A233 V234 F238 T239 I240 I296 Y297 V300 | R232-L236 PolarHBondContact O-N 3.1Å; R232-L236 VanDerWaalsContact O-N 3.14Å; A233-L236 PolarHBondContact O-N 2.94Å; V234-L236 PolarHBondContact O-N 3.43Å; L236-F238 VanDerWaalsContact C-N 3.32Å; L236-F238 PolarHBondContact O-N 3Å; L236-T239 PolarHBondContact O-N 2.82Å; L236-I240 HydrophobicContact CD1-CD1 4.46Å; L236-I240 HydrophobicContact CG-CD1 4.2Å; L236-I240 WeakPolarHBondContact O-CG1 3.41Å; L236-I240 PolarHBondContact O-N 3.49Å; L236-I240 VanDerWaalsContact O-N 3.07Å; L236-I296 HydrophobicContact CD1-CG2 3.95Å; L236-Y297 HydrophobicContact CD1-CD1 4.27Å; L236-V300 HydrophobicContact CB-CG1 4.39Å; L236-V300 HydrophobicContact CD1-CB 3.86Å; L236-V300 HydrophobicContact CD1-CG1 3.87Å |
| 237 | I | 82.9 | Confident | 82.4 | Confident | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.015 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.7 | -35.3 | -177.5 | -57.5 | -47.5 | 0 | 0 | 0 | 111.3 | L122 R126 Y214 A233 V234 I240 M241 | L122-I237 HydrophobicContact CB-CD1 4.32Å; L122-I237 HydrophobicContact CB-CG2 4.26Å; L122-I237 HydrophobicContact CD1-CD1 4.48Å; L122-I237 HydrophobicContact CD2-CD1 4.35Å; R126-I237 HydrophobicContact CG-CB 4.32Å; R126-I237 HydrophobicContact CG-CG1 3.72Å; Y214-I237 VanDerWaalsContact OH-C 3.28Å; A233-I237 PolarHBondContact O-N 2.83Å; V234-I237 PolarHBondContact O-N 3.18Å; I237-I240 HydrophobicContact CD1-CD1 3.87Å; I237-I240 PolarHBondContact O-N 3.41Å; I237-M241 PolarHBondContact O-N 2.95Å |
| 238 | F | 87.3 | Confident | 83.9 | Confident | 83 Ų | 83 | 56.2 Ų | 56.2 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 173.6 | -175.8 | -104.2 | 0 | 0 | 0 | 111.7 | M210 Y214 V234 R235 L236 I240 M241 I242 | M210-F238 HydrophobicContact CE-CD2 4.27Å; M210-F238 HydrophobicContact CE-CE2 3.56Å; M210-F238 HydrophobicContact CE-CZ 4.27Å; Y214-F238 AromaticContact CD1-CD2 3.74Å; Y214-F238 HydrophobicContact CD1-CD2 3.74Å; Y214-F238 HydrophobicContact CD1-CE2 4.41Å; Y214-F238 HydrophobicContact CD2-CD2 4.25Å; Y214-F238 HydrophobicContact CE1-CB 3.71Å; Y214-F238 AromaticContact CE1-CD2 3.5Å; Y214-F238 HydrophobicContact CE1-CD2 3.5Å; Y214-F238 VanDerWaalsContact CE1-CD2 3.5Å; Y214-F238 HydrophobicContact CE1-CG 4.04Å; Y214-F238 HydrophobicContact CE2-CD2 4.04Å; Y214-F238 HydrophobicContact CG-CD2 4.12Å; Y214-F238 HydrophobicContact CG-CE2 4.49Å; Y214-F238 AromaticContact CZ-CD2 3.67Å; Y214-F238 WeakPolarHBondContact OH-CA 3.5Å; Y214-F238 PolarHBondContact OH-N 3.27Å; V234-F238 VanDerWaalsContact O-CB 3.26Å; V234-F238 WeakPolarHBondContact O-CB 3.3Å; V234-F238 PolarHBondContact O-N 3.04Å; R235-F238 PolarHBondContact O-N 3.3Å; L236-F238 VanDerWaalsContact C-N 3.32Å; L236-F238 PolarHBondContact O-N 3Å; F238-I240 PolarHBondContact O-N 3.36Å; F238-M241 PolarHBondContact O-N 3.48Å; F238-I242 HydrophobicContact CD1-CG1 4.11Å; F238-I242 HydrophobicContact CD2-CG1 4.42Å; F238-I242 HydrophobicContact CE1-CD1 4.34Å; F238-I242 HydrophobicContact CE1-CG1 3.75Å; F238-I242 HydrophobicContact CE2-CD1 4.11Å; F238-I242 HydrophobicContact CE2-CG1 4.1Å; F238-I242 HydrophobicContact CG-CG1 4.44Å; F238-I242 HydrophobicContact CZ-CD1 3.84Å; F238-I242 HydrophobicContact CZ-CG1 3.74Å; F238-I242 WeakPolarHBondContact O-CG1 3.25Å; F238-I242 PolarHBondContact O-N 2.89Å |
| 239 | T | 90.3 | Very high | 85.3 | Confident | 38 Ų | 38 | 48.9 Ų | 48.9 | 23% | 0.233 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.5 | -44.7 | 176 | -58.3 | 0 | 0 | 0 | 0 | 111.9 | R235 L236 M241 I242 V243 I296 V300 | R235-T239 PolarHBondContact O-N 3.38Å; R235-T239 PolarHBondContact O-OG1 3.45Å; L236-T239 PolarHBondContact O-N 2.82Å; T239-M241 VanDerWaalsContact C-N 3.32Å; T239-M241 PolarHBondContact O-N 3.12Å; T239-I242 PolarHBondContact O-N 3.48Å; T239-V243 HydrophobicContact CG2-CG2 4.17Å; T239-V243 WeakPolarHBondContact O-CB 3.49Å; T239-V243 VanDerWaalsContact O-CG2 3.26Å; T239-V243 WeakPolarHBondContact O-CG2 3.3Å; T239-V243 PolarHBondContact O-N 3.48Å; T239-I296 HydrophobicContact CG2-CG2 4.07Å; T239-V300 HydrophobicContact CG2-CG2 4.19Å |
| 240 | I | 90 | Very high | 87 | Confident | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.7 | -46.7 | 177.2 | -63.2 | 163.9 | 0 | 0 | 0 | 110.7 | I119 L236 I237 F238 V243 Y244 I296 Y297 | I119-I240 HydrophobicContact CD1-CG2 4.04Å; I119-I240 HydrophobicContact CG1-CG2 3.98Å; I119-I240 HydrophobicContact CG2-CG2 4.49Å; L236-I240 HydrophobicContact CD1-CD1 4.46Å; L236-I240 HydrophobicContact CG-CD1 4.2Å; L236-I240 WeakPolarHBondContact O-CG1 3.41Å; L236-I240 PolarHBondContact O-N 3.49Å; L236-I240 VanDerWaalsContact O-N 3.07Å; I237-I240 HydrophobicContact CD1-CD1 3.87Å; I237-I240 PolarHBondContact O-N 3.41Å; F238-I240 PolarHBondContact O-N 3.36Å; I240-V243 PolarHBondContact O-N 3.09Å; I240-Y244 PolarHBondContact O-N 3.4Å; I240-I296 HydrophobicContact CG1-CD1 4.38Å; I240-I296 HydrophobicContact CG1-CG2 3.91Å; I240-Y297 HydrophobicContact CD1-CE1 3.66Å; I240-Y297 HydrophobicContact CG1-CE1 4.32Å |
| 241 | M | 90.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.8 | -44.8 | -179.3 | -173.9 | 67.8 | 78.5 | 0 | 0 | 112.6 | I119 T123 P206 M210 I237 F238 T239 Y244 F245 | I119-M241 HydrophobicContact CG2-CE 3.47Å; I119-M241 VanDerWaalsContact CG2-CE 3.47Å; I119-M241 HydrophobicContact CG2-SD 3.68Å; T123-M241 HydrophobicContact CG2-CE 4.34Å; T123-M241 WeakPolarHBondContact OG1-CE 3.46Å; P206-M241 HydrophobicContact CB-SD 4.32Å; M210-M241 HydrophobicContact CB-CG 4.45Å; M210-M241 HydrophobicContact CG-CG 4.19Å; M210-M241 HydrophobicContact SD-CG 4.06Å; I237-M241 PolarHBondContact O-N 2.95Å; F238-M241 PolarHBondContact O-N 3.48Å; T239-M241 VanDerWaalsContact C-N 3.32Å; T239-M241 PolarHBondContact O-N 3.12Å; M241-Y244 WeakPolarHBondContact O-CB 3.41Å; M241-Y244 PolarHBondContact O-N 3.16Å; M241-F245 HydrophobicContact CG-CD2 4.11Å; M241-F245 HydrophobicContact CG-CE2 3.61Å; M241-F245 WeakPolarHBondContact O-CD2 3.25Å; M241-F245 PolarHBondContact O-N 3.24Å; M241-F245 VanDerWaalsContact O-N 3.17Å; M241-F245 HydrophobicContact SD-CD2 4.44Å; M241-F245 HydrophobicContact SD-CE2 3.66Å; M241-F245 HydrophobicContact SD-CZ 4.07Å |
| 242 | I | 93.4 | Very high | 89.5 | Confident | 56 Ų | 56 | 38.8 Ų | 38.8 | 29% | 0.287 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.9 | -44.6 | 178.3 | -66.3 | -63 | 0 | 0 | 0 | 111 | M210 F238 T239 Y244 F245 L246 | M210-I242 HydrophobicContact CE-CD1 3.29Å; M210-I242 HydrophobicContact CE-CG1 4.29Å; M210-I242 HydrophobicContact SD-CD1 4.39Å; F238-I242 HydrophobicContact CD1-CG1 4.11Å; F238-I242 HydrophobicContact CD2-CG1 4.42Å; F238-I242 HydrophobicContact CE1-CD1 4.34Å; F238-I242 HydrophobicContact CE1-CG1 3.75Å; F238-I242 HydrophobicContact CE2-CD1 4.11Å; F238-I242 HydrophobicContact CE2-CG1 4.1Å; F238-I242 HydrophobicContact CG-CG1 4.44Å; F238-I242 HydrophobicContact CZ-CD1 3.84Å; F238-I242 HydrophobicContact CZ-CG1 3.74Å; F238-I242 WeakPolarHBondContact O-CG1 3.25Å; F238-I242 PolarHBondContact O-N 2.89Å; T239-I242 PolarHBondContact O-N 3.48Å; I242-Y244 VanDerWaalsContact C-N 3.29Å; I242-Y244 PolarHBondContact O-N 2.85Å; I242-F245 PolarHBondContact O-N 3.46Å; I242-F245 VanDerWaalsContact O-N 3.17Å; I242-L246 HydrophobicContact CG2-CD1 4.01Å; I242-L246 HydrophobicContact CG2-CG 4.27Å; I242-L246 WeakPolarHBondContact O-CG 3.31Å; I242-L246 PolarHBondContact O-N 3.42Å |
| 243 | V | 95.1 | Very high | 90.6 | Very high | 22 Ų | 22 | 36.9 Ų | 36.9 | 13% | 0.133 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.4 | -39.3 | 178.3 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | T239 I240 F245 L246 F247 I292 I296 | T239-V243 HydrophobicContact CG2-CG2 4.17Å; T239-V243 WeakPolarHBondContact O-CB 3.49Å; T239-V243 VanDerWaalsContact O-CG2 3.26Å; T239-V243 WeakPolarHBondContact O-CG2 3.3Å; T239-V243 PolarHBondContact O-N 3.48Å; I240-V243 PolarHBondContact O-N 3.09Å; V243-F245 PolarHBondContact O-N 2.81Å; V243-L246 PolarHBondContact O-N 3.34Å; V243-F247 HydrophobicContact CG1-CD2 3.88Å; V243-F247 HydrophobicContact CG1-CE2 3.84Å; V243-F247 WeakPolarHBondContact O-CD2 3.15Å; V243-F247 PolarHBondContact O-N 2.95Å; V243-F247 VanDerWaalsContact O-N 3.15Å; V243-I292 HydrophobicContact CG1-CB 4.5Å; V243-I292 HydrophobicContact CG1-CG2 3.71Å; V243-I296 HydrophobicContact CB-CD1 3.91Å; V243-I296 HydrophobicContact CG1-CD1 3.95Å; V243-I296 HydrophobicContact CG2-CD1 3.99Å |
| 244 | Y | 94.3 | Very high | 91.8 | Very high | 7 Ų | 7 | 36.1 Ų | 36.1 | 3% | 0.027 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -54.9 | -50.3 | 172.2 | 175 | -93.1 | 0 | 0 | 0 | 111.9 | I116 I119 G202 P206 I240 M241 I242 L246 F247 W248 H289 | I116-Y244 HydrophobicContact CB-CE2 4.12Å; I116-Y244 HydrophobicContact CD1-CD1 3.66Å; I116-Y244 HydrophobicContact CD1-CD2 4.2Å; I116-Y244 HydrophobicContact CD1-CE1 3.3Å; I116-Y244 HydrophobicContact CD1-CE2 3.88Å; I116-Y244 HydrophobicContact CD1-CG 4.1Å; I116-Y244 VanDerWaalsContact CD1-CZ 3.42Å; I116-Y244 HydrophobicContact CG1-CE1 3.95Å; I116-Y244 HydrophobicContact CG1-CE2 4.3Å; I119-Y244 HydrophobicContact CD1-CD2 4.01Å; I119-Y244 HydrophobicContact CD1-CG 4.27Å; G202-Y244 VanDerWaalsContact O-CE1 3.28Å; G202-Y244 WeakPolarHBondContact O-CE1 3.4Å; G202-Y244 PolarHBondContact O-OH 3.44Å; P206-Y244 HydrophobicContact CG-CE1 4.46Å; I240-Y244 PolarHBondContact O-N 3.4Å; M241-Y244 WeakPolarHBondContact O-CB 3.41Å; M241-Y244 PolarHBondContact O-N 3.16Å; I242-Y244 VanDerWaalsContact C-N 3.29Å; I242-Y244 PolarHBondContact O-N 2.85Å; Y244-L246 PolarHBondContact O-N 3.09Å; Y244-F247 PolarHBondContact O-N 3.37Å; Y244-W248 AromaticContact CD2-CD1 3.51Å; Y244-W248 HydrophobicContact CD2-CG 4.27Å; Y244-W248 HydrophobicContact CE1-CB 4.24Å; Y244-W248 HydrophobicContact CE2-CB 4.12Å; Y244-W248 AromaticContact CE2-CD1 3.34Å; Y244-W248 AromaticContact CE2-CG 3.77Å; Y244-W248 HydrophobicContact CE2-CG 3.77Å; Y244-W248 AromaticContact CE2-NE1 3.98Å; Y244-W248 WeakPolarHBondContact O-CB 3.46Å; Y244-W248 PolarHBondContact O-N 3.42Å; Y244-H289 AromaticContact CD2-CE1 3.89Å; Y244-H289 AromaticContact CD2-NE2 3.96Å |
| 245 | F | 95.7 | Very high | 92.6 | Very high | 25 Ų | 25 | 36.2 Ų | 36.2 | 11% | 0.11 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.2 | -39 | 178.8 | -71.8 | -58.4 | 0 | 0 | 0 | 113.1 | L203 P206 L207 M210 M241 I242 V243 F247 A249 | L203-F245 HydrophobicContact CD1-CD1 3.81Å; L203-F245 HydrophobicContact CD1-CE1 3.9Å; P206-F245 HydrophobicContact CB-CE1 4.25Å; P206-F245 HydrophobicContact CB-CZ 3.84Å; P206-F245 HydrophobicContact CG-CE1 4.03Å; P206-F245 HydrophobicContact CG-CZ 4.12Å; L207-F245 HydrophobicContact CB-CE1 4.28Å; L207-F245 HydrophobicContact CB-CZ 4.05Å; L207-F245 HydrophobicContact CD1-CE2 4.48Å; L207-F245 HydrophobicContact CD1-CZ 4.26Å; M210-F245 HydrophobicContact SD-CD2 4.06Å; M210-F245 HydrophobicContact SD-CE2 3.55Å; M210-F245 VanDerWaalsContact SD-CE2 3.55Å; M241-F245 HydrophobicContact CG-CD2 4.11Å; M241-F245 HydrophobicContact CG-CE2 3.61Å; M241-F245 WeakPolarHBondContact O-CD2 3.25Å; M241-F245 PolarHBondContact O-N 3.24Å; M241-F245 VanDerWaalsContact O-N 3.17Å; M241-F245 HydrophobicContact SD-CD2 4.44Å; M241-F245 HydrophobicContact SD-CE2 3.66Å; M241-F245 HydrophobicContact SD-CZ 4.07Å; I242-F245 PolarHBondContact O-N 3.46Å; I242-F245 VanDerWaalsContact O-N 3.17Å; V243-F245 PolarHBondContact O-N 2.81Å; F245-F247 PolarHBondContact O-N 3.27Å; F245-A249 WeakPolarHBondContact O-CB 3.43Å; F245-A249 PolarHBondContact O-N 2.94Å |
| 246 | L | 96.4 | Very high | 93.1 | Very high | 111 Ų | 111 | 32.8 Ų | 32.8 | 58% | 0.581 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -59.6 | -34.3 | 177.3 | -71.3 | 173.7 | 0 | 0 | 0 | 112.2 | I242 V243 Y244 | I242-L246 HydrophobicContact CG2-CD1 4.01Å; I242-L246 HydrophobicContact CG2-CG 4.27Å; I242-L246 WeakPolarHBondContact O-CG 3.31Å; I242-L246 PolarHBondContact O-N 3.42Å; V243-L246 PolarHBondContact O-N 3.34Å; Y244-L246 PolarHBondContact O-N 3.09Å |
| 247 | F | 96.1 | Very high | 93.6 | Very high | 38 Ų | 38 | 33.6 Ų | 33.6 | 17% | 0.167 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -90.6 | -39.5 | -177.3 | -78 | -115.6 | 0 | 0 | 0 | 112.7 | V243 Y244 F245 L285 T288 H289 I292 | V243-F247 HydrophobicContact CG1-CD2 3.88Å; V243-F247 HydrophobicContact CG1-CE2 3.84Å; V243-F247 WeakPolarHBondContact O-CD2 3.15Å; V243-F247 PolarHBondContact O-N 2.95Å; V243-F247 VanDerWaalsContact O-N 3.15Å; Y244-F247 PolarHBondContact O-N 3.37Å; F245-F247 PolarHBondContact O-N 3.27Å; F247-L285 HydrophobicContact CD1-CD1 3.96Å; F247-L285 HydrophobicContact CD1-CG 4.27Å; F247-L285 VanDerWaalsContact CD1-O 3.3Å; F247-L285 WeakPolarHBondContact CD1-O 3.24Å; F247-L285 HydrophobicContact CE1-CD1 4.04Å; F247-L285 HydrophobicContact CG-CD1 4.48Å; F247-T288 WeakPolarHBondContact CD1-OG1 3.32Å; F247-T288 VanDerWaalsContact CE1-OG1 3.25Å; F247-T288 WeakPolarHBondContact CE1-OG1 3.23Å; F247-H289 HydrophobicContact CB-CB 3.93Å; F247-H289 HydrophobicContact CD1-CB 3.93Å; F247-H289 HydrophobicContact CG-CB 4.15Å; F247-I292 HydrophobicContact CE1-CD1 4.22Å; F247-I292 HydrophobicContact CE1-CG1 3.79Å; F247-I292 HydrophobicContact CZ-CD1 4.1Å; F247-I292 HydrophobicContact CZ-CG1 3.83Å |
| 248 | W | 96.1 | Very high | 93.9 | Very high | 8 Ų | 8 | 34.7 Ų | 34.7 | 3% | 0.03 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -100.7 | -27.8 | -172.4 | -76.8 | 101.2 | 0 | 0 | 0 | 115.1 | F79 L112 Y244 P250 Y251 N252 G286 H289 | F79-W248 HydrophobicContact CE2-CH2 4.22Å; F79-W248 HydrophobicContact CE2-CZ2 4.31Å; F79-W248 HydrophobicContact CZ-CH2 4.22Å; F79-W248 HydrophobicContact CZ-CZ2 4.22Å; L112-W248 HydrophobicContact CD1-CD2 4.02Å; L112-W248 HydrophobicContact CD1-CE3 3.99Å; L112-W248 HydrophobicContact CD1-CH2 3.5Å; L112-W248 HydrophobicContact CD1-CZ2 3.51Å; L112-W248 HydrophobicContact CD1-CZ3 3.74Å; Y244-W248 AromaticContact CD2-CD1 3.51Å; Y244-W248 HydrophobicContact CD2-CG 4.27Å; Y244-W248 HydrophobicContact CE1-CB 4.24Å; Y244-W248 HydrophobicContact CE2-CB 4.12Å; Y244-W248 AromaticContact CE2-CD1 3.34Å; Y244-W248 AromaticContact CE2-CG 3.77Å; Y244-W248 HydrophobicContact CE2-CG 3.77Å; Y244-W248 AromaticContact CE2-NE1 3.98Å; Y244-W248 WeakPolarHBondContact O-CB 3.46Å; Y244-W248 PolarHBondContact O-N 3.42Å; W248-P250 VanDerWaalsContact C-CD 3.49Å; W248-Y251 HydrophobicContact CE3-CD1 4.08Å; W248-Y251 HydrophobicContact CZ3-CD1 4.06Å; W248-Y251 HydrophobicContact CZ3-CE1 4.45Å; W248-Y251 PolarHBondContact O-N 3.17Å; W248-N252 PolarHBondContact O-N 3.09Å; W248-N252 VanDerWaalsContact O-N 3.1Å; W248-N252 PolarHBondContact O-ND2 3.3Å; W248-G286 VanDerWaalsContact CZ2-C 3.5Å; W248-G286 WeakPolarHBondContact CZ2-O 3.49Å; W248-H289 AromaticContact CD1-CG 3.91Å; W248-H289 AromaticContact NE1-CG 3.58Å; W248-H289 AromaticContact NE1-ND1 3.64Å |
| 249 | A | 95.6 | Very high | 94.1 | Very high | 17 Ų | 17 | 31.2 Ų | 31.2 | 14% | 0.14 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.9 | -40.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | L203 F245 Y251 N252 I253 | L203-A249 HydrophobicContact CD1-CB 3.75Å; F245-A249 WeakPolarHBondContact O-CB 3.43Å; F245-A249 PolarHBondContact O-N 2.94Å; A249-Y251 VanDerWaalsContact C-N 3.31Å; A249-Y251 PolarHBondContact O-N 3.28Å; A249-N252 PolarHBondContact O-N 3.27Å; A249-I253 VanDerWaalsContact O-CG1 3.27Å; A249-I253 WeakPolarHBondContact O-CG1 3.4Å; A249-I253 PolarHBondContact O-N 3.12Å |
| 250 | P | 97.3 | Very high | 94.1 | Very high | 43 Ų | 43 | 31.9 Ų | 31.9 | 28% | 0.279 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -55.3 | -45.5 | 176.1 | -26.7 | 36 | 0 | 0 | 0 | 112.6 | W248 I253 V254 T282 L285 | W248-P250 VanDerWaalsContact C-CD 3.49Å; P250-I253 PolarHBondContact O-N 2.93Å; P250-V254 WeakPolarHBondContact O-CG2 3.27Å; P250-V254 PolarHBondContact O-N 3.09Å; P250-T282 HydrophobicContact CB-CG2 3.61Å; P250-L285 HydrophobicContact CG-CD2 4.33Å |
| 251 | Y | 96.1 | Very high | 94 | Very high | 23 Ų | 23 | 33.3 Ų | 33.3 | 9% | 0.09 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.4 | -46.6 | 177.8 | 173.9 | -104 | 0 | 0 | 0 | 112 | W248 A249 I253 V254 L255 M279 E283 | W248-Y251 HydrophobicContact CE3-CD1 4.08Å; W248-Y251 HydrophobicContact CZ3-CD1 4.06Å; W248-Y251 HydrophobicContact CZ3-CE1 4.45Å; W248-Y251 PolarHBondContact O-N 3.17Å; A249-Y251 VanDerWaalsContact C-N 3.31Å; A249-Y251 PolarHBondContact O-N 3.28Å; Y251-I253 VanDerWaalsContact C-N 3.3Å; Y251-I253 PolarHBondContact O-N 3.05Å; Y251-V254 PolarHBondContact O-N 2.66Å; Y251-L255 HydrophobicContact CE1-CD2 4.18Å; Y251-L255 VanDerWaalsContact O-CB 3.27Å; Y251-L255 WeakPolarHBondContact O-CB 3.32Å; Y251-L255 PolarHBondContact O-N 3.04Å; Y251-M279 HydrophobicContact CE2-CG 4.26Å; Y251-E283 HydrophobicContact CD2-CB 3.63Å; Y251-E283 HydrophobicContact CD2-CG 4.29Å; Y251-E283 HydrophobicContact CE2-CB 3.66Å; Y251-E283 HydrophobicContact CE2-CG 3.97Å |
| 252 | N | 95.9 | Very high | 93.7 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.2 | -38.8 | 179.4 | -78.6 | -85.2 | 0 | 0 | 0 | 112.3 | I198 V199 L203 W248 A249 L256 | I198-N252 PolarHBondContact O-OD1 3.06Å; V199-N252 HydrophobicContact CG2-CB 4.42Å; L203-N252 HydrophobicContact CB-CB 4.18Å; L203-N252 HydrophobicContact CD2-CB 3.95Å; W248-N252 PolarHBondContact O-N 3.09Å; W248-N252 VanDerWaalsContact O-N 3.1Å; W248-N252 PolarHBondContact O-ND2 3.3Å; A249-N252 PolarHBondContact O-N 3.27Å; N252-L256 PolarHBondContact O-N 3.29Å; N252-L256 VanDerWaalsContact O-N 3.1Å |
| 253 | I | 95.8 | Very high | 93.4 | Very high | 89 Ų | 89 | 46.3 Ų | 46.3 | 46% | 0.456 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.5 | -47.6 | 176.6 | -66.7 | 163.9 | 0 | 0 | 0 | 110.3 | L203 A249 P250 Y251 L255 L256 L257 | L203-I253 HydrophobicContact CD2-CG1 4.49Å; A249-I253 VanDerWaalsContact O-CG1 3.27Å; A249-I253 WeakPolarHBondContact O-CG1 3.4Å; A249-I253 PolarHBondContact O-N 3.12Å; P250-I253 PolarHBondContact O-N 2.93Å; Y251-I253 VanDerWaalsContact C-N 3.3Å; Y251-I253 PolarHBondContact O-N 3.05Å; I253-L255 VanDerWaalsContact C-N 3.34Å; I253-L255 PolarHBondContact O-N 2.9Å; I253-L256 WeakPolarHBondContact O-CB 3.25Å; I253-L256 PolarHBondContact O-N 2.86Å; I253-L257 HydrophobicContact CG2-CD1 4.25Å; I253-L257 WeakPolarHBondContact O-CG 3.31Å; I253-L257 PolarHBondContact O-N 2.99Å |
| 254 | V | 95.2 | Very high | 93 | Very high | 16 Ų | 16 | 49.8 Ų | 49.8 | 10% | 0.097 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.2 | -38.1 | 179.1 | 176 | 0 | 0 | 0 | 0 | 111.4 | P250 Y251 L256 L257 N258 A278 M279 T282 | P250-V254 WeakPolarHBondContact O-CG2 3.27Å; P250-V254 PolarHBondContact O-N 3.09Å; Y251-V254 PolarHBondContact O-N 2.66Å; V254-L256 VanDerWaalsContact C-N 3.31Å; V254-L256 PolarHBondContact O-N 3.49Å; V254-L257 PolarHBondContact O-N 2.95Å; V254-N258 VanDerWaalsContact O-CB 3.28Å; V254-N258 WeakPolarHBondContact O-CB 3.06Å; V254-N258 PolarHBondContact O-N 3.1Å; V254-A278 HydrophobicContact CG1-CB 4.05Å; V254-A278 HydrophobicContact CG2-CB 4.16Å; V254-M279 HydrophobicContact CG1-CB 3.87Å; V254-T282 HydrophobicContact CG2-CG2 4.1Å |
| 255 | L | 94.2 | Very high | 92.4 | Very high | 18 Ų | 18 | 51.6 Ų | 51.6 | 9% | 0.094 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.8 | -40.6 | 175.2 | -178.3 | 66 | 0 | 0 | 0 | 111.7 | T195 I198 Y251 I253 N258 T259 | T195-L255 HydrophobicContact CG2-CD2 4.42Å; T195-L255 HydrophobicContact CG2-CG 4.05Å; I198-L255 HydrophobicContact CB-CD2 4.03Å; I198-L255 HydrophobicContact CD1-CD2 4.02Å; I198-L255 HydrophobicContact CG2-CD2 3.79Å; Y251-L255 HydrophobicContact CE1-CD2 4.18Å; Y251-L255 VanDerWaalsContact O-CB 3.27Å; Y251-L255 WeakPolarHBondContact O-CB 3.32Å; Y251-L255 PolarHBondContact O-N 3.04Å; I253-L255 VanDerWaalsContact C-N 3.34Å; I253-L255 PolarHBondContact O-N 2.9Å; L255-N258 PolarHBondContact O-N 3.38Å; L255-T259 WeakPolarHBondContact O-CB 3.05Å; L255-T259 PolarHBondContact O-N 3.48Å; L255-T259 PolarHBondContact O-OG1 3.3Å |
| 256 | L | 94.5 | Very high | 91.8 | Very high | 55 Ų | 55 | 52.7 Ų | 52.7 | 29% | 0.288 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.8 | -49.2 | 174.8 | -169.2 | 75.8 | 0 | 0 | 0 | 110.9 | T195 V199 N252 I253 V254 N258 T259 F260 | T195-L256 HydrophobicContact CG2-CD1 4.37Å; V199-L256 HydrophobicContact CG2-CB 4.48Å; V199-L256 HydrophobicContact CG2-CD1 4.42Å; N252-L256 PolarHBondContact O-N 3.29Å; N252-L256 VanDerWaalsContact O-N 3.1Å; I253-L256 WeakPolarHBondContact O-CB 3.25Å; I253-L256 PolarHBondContact O-N 2.86Å; V254-L256 VanDerWaalsContact C-N 3.31Å; V254-L256 PolarHBondContact O-N 3.49Å; L256-N258 VanDerWaalsContact C-N 3.32Å; L256-N258 PolarHBondContact O-N 3.19Å; L256-T259 PolarHBondContact O-N 2.78Å; L256-F260 HydrophobicContact CD1-CD2 3.73Å; L256-F260 HydrophobicContact CD1-CE2 3.6Å; L256-F260 HydrophobicContact CG-CD2 4.08Å; L256-F260 HydrophobicContact CG-CE2 4.45Å; L256-F260 WeakPolarHBondContact O-CD2 3.34Å; L256-F260 PolarHBondContact O-N 2.68Å |
| 257 | L | 93.1 | Very high | 90.9 | Very high | 48 Ų | 48 | 52.3 Ų | 52.3 | 25% | 0.251 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.9 | -41.1 | 177.1 | -68.5 | 173.9 | 0 | 0 | 0 | 112.1 | I253 V254 T259 F260 Q261 F264 L266 L275 | I253-L257 HydrophobicContact CG2-CD1 4.25Å; I253-L257 WeakPolarHBondContact O-CG 3.31Å; I253-L257 PolarHBondContact O-N 2.99Å; V254-L257 PolarHBondContact O-N 2.95Å; L257-T259 VanDerWaalsContact C-N 3.33Å; L257-T259 PolarHBondContact O-N 3.39Å; L257-F260 CarbonylContact O-C 3.5Å; L257-Q261 WeakPolarHBondContact O-CA 3.49Å; L257-Q261 VanDerWaalsContact O-CG 3.3Å; L257-Q261 WeakPolarHBondContact O-CG 3.4Å; L257-Q261 PolarHBondContact O-N 3.43Å; L257-Q261 VanDerWaalsContact O-N 3.15Å; L257-F264 HydrophobicContact CD2-CD1 4.35Å; L257-F264 HydrophobicContact CD2-CD2 3.7Å; L257-F264 HydrophobicContact CD2-CE1 4.46Å; L257-F264 HydrophobicContact CD2-CE2 3.83Å; L257-F264 HydrophobicContact CD2-CG 3.99Å; L257-F264 HydrophobicContact CD2-CZ 4.21Å; L257-L266 HydrophobicContact CD2-CD1 4.48Å; L257-L275 HydrophobicContact CB-CD2 3.97Å; L257-L275 HydrophobicContact CD1-CD2 4.45Å |
| 258 | N | 90.1 | Very high | 90.3 | Very high | 26 Ų | 26 | 55.3 Ų | 55.3 | 14% | 0.139 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.1 | -31.2 | 178.4 | -172.1 | 54.4 | 0 | 0 | 0 | 112.8 | V254 L255 L256 Q261 M279 | V254-N258 VanDerWaalsContact O-CB 3.28Å; V254-N258 WeakPolarHBondContact O-CB 3.06Å; V254-N258 PolarHBondContact O-N 3.1Å; L255-N258 PolarHBondContact O-N 3.38Å; L256-N258 VanDerWaalsContact C-N 3.32Å; L256-N258 PolarHBondContact O-N 3.19Å; N258-Q261 WeakPolarHBondContact O-CG 3.17Å; N258-Q261 PolarHBondContact OD1-NE2 3.31Å; N258-Q261 VanDerWaalsContact OD1-NE2 3.16Å; N258-M279 HydrophobicContact CB-SD 4.49Å |
| 259 | T | 90.2 | Very high | 89.6 | Confident | 10 Ų | 10 | 58.4 Ų | 58.4 | 6% | 0.061 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -78.1 | -38.8 | 178.5 | -59 | 0 | 0 | 0 | 0 | 111.8 | K191 N192 T195 L255 L256 L257 | K191-T259 HydrophobicContact CG-CG2 4.21Å; N192-T259 WeakPolarHBondContact OD1-CG2 3.41Å; T195-T259 WeakPolarHBondContact CB-OG1 3.41Å; T195-T259 HydrophobicContact CG2-CG2 4.12Å; T195-T259 WeakPolarHBondContact CG2-OG1 3.33Å; T195-T259 PolarHBondContact OG1-OG1 3.21Å; L255-T259 WeakPolarHBondContact O-CB 3.05Å; L255-T259 PolarHBondContact O-N 3.48Å; L255-T259 PolarHBondContact O-OG1 3.3Å; L256-T259 PolarHBondContact O-N 2.78Å; L257-T259 VanDerWaalsContact C-N 3.33Å; L257-T259 PolarHBondContact O-N 3.39Å |
| 260 | F | 90.6 | Very high | 89 | Confident | 52 Ų | 52 | 61 Ų | 61 | 23% | 0.228 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 36.9 | -176 | -60.9 | -72.2 | 0 | 0 | 0 | 112.4 | L196 L256 L257 E262 F263 F264 | L196-F260 HydrophobicContact CD2-CE2 4.39Å; L196-F260 HydrophobicContact CD2-CZ 4.42Å; L256-F260 HydrophobicContact CD1-CD2 3.73Å; L256-F260 HydrophobicContact CD1-CE2 3.6Å; L256-F260 HydrophobicContact CG-CD2 4.08Å; L256-F260 HydrophobicContact CG-CE2 4.45Å; L256-F260 WeakPolarHBondContact O-CD2 3.34Å; L256-F260 PolarHBondContact O-N 2.68Å; L257-F260 CarbonylContact O-C 3.5Å; F260-E262 VanDerWaalsContact C-N 3.29Å; F260-E262 PolarHBondContact O-N 2.88Å; F260-F263 HydrophobicContact CB-CB 4.23Å; F260-F263 WeakPolarHBondContact O-CB 3.45Å; F260-F263 PolarHBondContact O-N 3.22Å; F260-F263 VanDerWaalsContact O-N 3.11Å; F260-F264 HydrophobicContact CB-CD2 4.06Å; F260-F264 HydrophobicContact CB-CE2 3.93Å; F260-F264 VanDerWaalsContact O-CD2 3.23Å; F260-F264 WeakPolarHBondContact O-CD2 3.42Å; F260-F264 PolarHBondContact O-N 3.02Å; F260-F264 VanDerWaalsContact O-N 3.16Å |
| 261 | Q | 87 | Confident | 88.3 | Confident | 32 Ų | 32 | 60.6 Ų | 60.6 | 15% | 0.15 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -42.2 | -178 | -76.2 | 174.4 | -30.7 | 0 | 0 | 113 | L257 N258 F263 F264 G265 L266 L275 | L257-Q261 WeakPolarHBondContact O-CA 3.49Å; L257-Q261 VanDerWaalsContact O-CG 3.3Å; L257-Q261 WeakPolarHBondContact O-CG 3.4Å; L257-Q261 PolarHBondContact O-N 3.43Å; L257-Q261 VanDerWaalsContact O-N 3.15Å; N258-Q261 WeakPolarHBondContact O-CG 3.17Å; N258-Q261 PolarHBondContact OD1-NE2 3.31Å; N258-Q261 VanDerWaalsContact OD1-NE2 3.16Å; Q261-F263 VanDerWaalsContact C-N 3.34Å; Q261-F263 PolarHBondContact O-N 2.03Å; Q261-F264 CarbonylContact O-C 3.58Å; Q261-F264 PolarHBondContact O-N 3.15Å; Q261-G265 PolarHBondContact O-N 3.19Å; Q261-L266 HydrophobicContact CB-CB 4.33Å; Q261-L266 HydrophobicContact CG-CB 4.39Å; Q261-L266 PolarHBondContact O-N 2.85Å; Q261-L275 HydrophobicContact CG-CD1 3.74Å; Q261-L275 VanDerWaalsContact NE2-CD1 3.34Å |
| 262 | E | 84.3 | Confident | 87.7 | Confident | 161 Ų | 161 | 60.6 Ų | 60.6 | 75% | 0.752 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -42 | 178.8 | -67.2 | 177.3 | -175.4 | 0 | 0 | 111.8 | F260 F264 G265 N267 | F260-E262 VanDerWaalsContact C-N 3.29Å; F260-E262 PolarHBondContact O-N 2.88Å; E262-F264 VanDerWaalsContact C-N 3.31Å; E262-F264 PolarHBondContact O-N 2.81Å; E262-G265 PolarHBondContact O-N 2.87Å; E262-N267 HydrophobicContact CG-CB 4.49Å |
| 263 | F | 87.8 | Confident | 87.1 | Confident | 167 Ų | 167 | 62.4 Ų | 62.4 | 73% | 0.732 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -35.8 | 178.8 | -175.9 | -95.9 | 0 | 0 | 0 | 112.2 | F260 Q261 | F260-F263 HydrophobicContact CB-CB 4.23Å; F260-F263 WeakPolarHBondContact O-CB 3.45Å; F260-F263 PolarHBondContact O-N 3.22Å; F260-F263 VanDerWaalsContact O-N 3.11Å; Q261-F263 VanDerWaalsContact C-N 3.34Å; Q261-F263 PolarHBondContact O-N 2.03Å |
| 264 | F | 86.1 | Confident | 86.6 | Confident | 96 Ų | 96 | 66.5 Ų | 66.5 | 42% | 0.421 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 2.3 | 178.3 | -67 | -67 | 0 | 0 | 0 | 114.1 | L257 F260 Q261 E262 L266 | L257-F264 HydrophobicContact CD2-CD1 4.35Å; L257-F264 HydrophobicContact CD2-CD2 3.7Å; L257-F264 HydrophobicContact CD2-CE1 4.46Å; L257-F264 HydrophobicContact CD2-CE2 3.83Å; L257-F264 HydrophobicContact CD2-CG 3.99Å; L257-F264 HydrophobicContact CD2-CZ 4.21Å; F260-F264 HydrophobicContact CB-CD2 4.06Å; F260-F264 HydrophobicContact CB-CE2 3.93Å; F260-F264 VanDerWaalsContact O-CD2 3.23Å; F260-F264 WeakPolarHBondContact O-CD2 3.42Å; F260-F264 PolarHBondContact O-N 3.02Å; F260-F264 VanDerWaalsContact O-N 3.16Å; Q261-F264 CarbonylContact O-C 3.58Å; Q261-F264 PolarHBondContact O-N 3.15Å; E262-F264 VanDerWaalsContact C-N 3.31Å; E262-F264 PolarHBondContact O-N 2.81Å; F264-L266 VanDerWaalsContact C-N 3.33Å; F264-L266 HydrophobicContact CB-CD1 3.95Å; F264-L266 HydrophobicContact CB-CG 4.03Å; F264-L266 PolarHBondContact O-N 3.05Å |
| 265 | G | 82.6 | Confident | 86.2 | Confident | 45 Ų | 45 | 66.5 Ų | 66.5 | 46% | 0.464 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 29.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q261 E262 | Q261-G265 PolarHBondContact O-N 3.19Å; E262-G265 PolarHBondContact O-N 2.87Å |
| 266 | L | 82.9 | Confident | 85.7 | Confident | 47 Ų | 47 | 66.8 Ų | 66.8 | 25% | 0.246 | 35% | 0.349 | C | S | . | . | trans | -104.7 | 17 | -176.5 | -60.7 | 175.4 | 0 | 0 | 0 | 113.4 | L257 Q261 F264 N268 S271 L275 | L257-L266 HydrophobicContact CD2-CD1 4.48Å; Q261-L266 HydrophobicContact CB-CB 4.33Å; Q261-L266 HydrophobicContact CG-CB 4.39Å; Q261-L266 PolarHBondContact O-N 2.85Å; F264-L266 VanDerWaalsContact C-N 3.33Å; F264-L266 HydrophobicContact CB-CD1 3.95Å; F264-L266 HydrophobicContact CB-CG 4.03Å; F264-L266 PolarHBondContact O-N 3.05Å; L266-N268 PolarHBondContact O-N 2.92Å; L266-S271 WeakPolarHBondContact O-CB 3.27Å; L266-L275 HydrophobicContact CB-CD1 3.94Å; L266-L275 HydrophobicContact CD1-CD1 3.91Å; L266-L275 HydrophobicContact CD1-CD2 4.48Å | ||
| 267 | N | 77.8 | Confident | 85.3 | Confident | 103 Ų | 103 | 68.1 Ų | 68.1 | 55% | 0.551 | 35% | 0.353 | S | S | * | . | trans | -75.8 | -2.3 | -176.2 | 62.7 | -23.6 | 0 | 0 | 0 | 114.9 | E262 | E262-N267 HydrophobicContact CG-CB 4.49Š| ||
| 268 | N | 84.2 | Confident | 85.2 | Confident | 102 Ų | 102 | 67.5 Ų | 67.5 | 55% | 0.545 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -72.5 | 142.6 | 175.2 | -62.7 | -22.6 | 0 | 0 | 0 | 111.2 | L266 S270 S271 S272 | L266-N268 PolarHBondContact O-N 2.92Å; N268-S270 VanDerWaalsContact C-N 3.3Å; N268-S270 PolarHBondContact O-N 3.24Å; N268-S271 PolarHBondContact O-N 3.21Å; N268-S272 PolarHBondContact O-N 3.13Å |
| 269 | C | 80.4 | Confident | 85.2 | Confident | 72 Ų | 72 | 68.3 Ų | 68.3 | 49% | 0.486 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -56.8 | -37.2 | -177.2 | 167.4 | 0 | 0 | 0 | 0 | 113.4 | C20 S272 N273 | C20-C269 HydrophobicContact CB-CB 4.07Å; C20-C269 WeakPolarHBondContact CB-SG 3.33Å; C20-C269 WeakPolarHBondContact SG-CB 3.35Å; C20-C269 PolarHBondContact SG-O 3.33Å; C20-C269 CovalentContact SG-SG 2.06Å; C20-C269 PolarHBondContact SG-SG 2.87Å; C269-S272 PolarHBondContact O-N 2.92Å; C269-N273 VanDerWaalsContact O-CB 3.31Å; C269-N273 WeakPolarHBondContact O-CB 3.09Å; C269-N273 PolarHBondContact O-N 2.7Å |
| 270 | S | 82.6 | Confident | 85.1 | Confident | 73 Ų | 73 | 70.9 Ų | 70.9 | 51% | 0.51 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 174 | -178.6 | 0 | 0 | 0 | 0 | 112.5 | N268 N273 R274 | N268-S270 VanDerWaalsContact C-N 3.3Å; N268-S270 PolarHBondContact O-N 3.24Å; S270-N273 PolarHBondContact O-N 2.82Å; S270-R274 WeakPolarHBondContact O-CG 3.28Å; S270-R274 PolarHBondContact O-N 3.39Å; S270-R274 VanDerWaalsContact O-N 3.14Å |
| 271 | S | 83.9 | Confident | 85.1 | Confident | 34 Ų | 34 | 73.2 Ų | 73.2 | 24% | 0.238 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -68.3 | -42.8 | 178.1 | -60.5 | 0 | 0 | 0 | 0 | 111.8 | L266 N268 N273 R274 L275 | L266-S271 WeakPolarHBondContact O-CB 3.27Å; N268-S271 PolarHBondContact O-N 3.21Å; S271-N273 PolarHBondContact O-N 3.03Å; S271-R274 PolarHBondContact O-N 3.05Å; S271-L275 WeakPolarHBondContact O-CG 3.33Å; S271-L275 PolarHBondContact O-N 3.08Å |
| 272 | S | 81.9 | Confident | 85.5 | Confident | 23 Ų | 23 | 72.5 Ų | 72.5 | 16% | 0.161 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -59.5 | -45.7 | 174.6 | -176.2 | 0 | 0 | 0 | 0 | 111.3 | N268 C269 R274 L275 D276 | N268-S272 PolarHBondContact O-N 3.13Å; C269-S272 PolarHBondContact O-N 2.92Å; S272-R274 VanDerWaalsContact C-N 3.32Å; S272-R274 PolarHBondContact O-N 3.42Å; S272-L275 WeakPolarHBondContact O-CB 3.44Å; S272-L275 PolarHBondContact O-N 2.96Å; S272-L275 VanDerWaalsContact O-N 3.1Å; S272-D276 VanDerWaalsContact O-CG 3.3Å; S272-D276 PolarHBondContact O-N 2.78Å |
| 273 | N | 83.3 | Confident | 85.9 | Confident | 41 Ų | 41 | 66.9 Ų | 66.9 | 22% | 0.219 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.1 | -38.6 | -180 | -167.1 | 22 | 0 | 0 | 0 | 112 | C269 S270 S271 D276 Q277 | C269-N273 VanDerWaalsContact O-CB 3.31Å; C269-N273 WeakPolarHBondContact O-CB 3.09Å; C269-N273 PolarHBondContact O-N 2.7Å; S270-N273 PolarHBondContact O-N 2.82Å; S271-N273 PolarHBondContact O-N 3.03Å; N273-D276 PolarHBondContact O-N 3.34Å; N273-Q277 WeakPolarHBondContact O-CG 3.43Å; N273-Q277 PolarHBondContact O-N 2.84Å; N273-Q277 VanDerWaalsContact O-N 3.08Å |
| 274 | R | 86.3 | Confident | 86.1 | Confident | 175 Ų | 175 | 59.7 Ų | 59.7 | 66% | 0.66 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -65.5 | -38.9 | 172.8 | -69.6 | 178.9 | -169.1 | -158.9 | 1.7 | 112.2 | S270 S271 S272 Q277 A278 | S270-R274 WeakPolarHBondContact O-CG 3.28Å; S270-R274 PolarHBondContact O-N 3.39Å; S270-R274 VanDerWaalsContact O-N 3.14Å; S271-R274 PolarHBondContact O-N 3.05Å; S272-R274 VanDerWaalsContact C-N 3.32Å; S272-R274 PolarHBondContact O-N 3.42Å; R274-Q277 PolarHBondContact O-N 2.84Å; R274-A278 WeakPolarHBondContact O-CB 3.35Å; R274-A278 PolarHBondContact O-N 2.9Å |
| 275 | L | 86.8 | Confident | 86.5 | Confident | 16 Ų | 16 | 58.2 Ų | 58.2 | 8% | 0.084 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.2 | -40.5 | 175.5 | -79 | 171.6 | 0 | 0 | 0 | 111.9 | L257 Q261 L266 S271 S272 A278 M279 | L257-L275 HydrophobicContact CB-CD2 3.97Å; L257-L275 HydrophobicContact CD1-CD2 4.45Å; Q261-L275 HydrophobicContact CG-CD1 3.74Å; Q261-L275 VanDerWaalsContact NE2-CD1 3.34Å; L266-L275 HydrophobicContact CB-CD1 3.94Å; L266-L275 HydrophobicContact CD1-CD1 3.91Å; L266-L275 HydrophobicContact CD1-CD2 4.48Å; S271-L275 WeakPolarHBondContact O-CG 3.33Å; S271-L275 PolarHBondContact O-N 3.08Å; S272-L275 WeakPolarHBondContact O-CB 3.44Å; S272-L275 PolarHBondContact O-N 2.96Å; S272-L275 VanDerWaalsContact O-N 3.1Å; L275-A278 PolarHBondContact O-N 2.94Å; L275-M279 VanDerWaalsContact O-CB 3.3Å; L275-M279 WeakPolarHBondContact O-CB 3.45Å; L275-M279 PolarHBondContact O-N 2.96Å |
| 276 | D | 84.1 | Confident | 87 | Confident | 25 Ų | 25 | 56 Ų | 56 | 13% | 0.134 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.1 | -42.1 | 175.6 | -66.6 | -61.8 | 0 | 0 | 0 | 111.8 | K22 S272 N273 M279 Q280 | K22-D276 HydrophobicContact CD-CB 4.47Å; K22-D276 WeakPolarHBondContact CE-OD2 3.49Å; K22-D276 IonicContact NZ-OD1 3.16Å; K22-D276 PolarHBondContact NZ-OD1 2.88Å; K22-D276 VanDerWaalsContact NZ-OD1 3.16Å; K22-D276 IonicContact NZ-OD2 2.62Å; K22-D276 PolarHBondContact NZ-OD2 3.25Å; S272-D276 VanDerWaalsContact O-CG 3.3Å; S272-D276 PolarHBondContact O-N 2.78Å; N273-D276 PolarHBondContact O-N 3.34Å; D276-M279 PolarHBondContact O-N 3.36Å; D276-Q280 PolarHBondContact O-N 3.36Å |
| 277 | Q | 85.7 | Confident | 87.4 | Confident | 82 Ų | 82 | 54.3 Ų | 54.3 | 38% | 0.383 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61 | -48.1 | 173.3 | -71.8 | 173.6 | 7.1 | 0 | 0 | 111.4 | V25 N273 R274 M279 Q280 V281 | V25-Q277 HydrophobicContact CB-CG 4.28Å; V25-Q277 HydrophobicContact CG1-CG 3.84Å; V25-Q277 HydrophobicContact CG2-CG 3.4Å; V25-Q277 VanDerWaalsContact CG2-CG 3.4Å; N273-Q277 WeakPolarHBondContact O-CG 3.43Å; N273-Q277 PolarHBondContact O-N 2.84Å; N273-Q277 VanDerWaalsContact O-N 3.08Å; R274-Q277 PolarHBondContact O-N 2.84Å; Q277-M279 VanDerWaalsContact C-N 3.26Å; Q277-M279 PolarHBondContact O-N 3.31Å; Q277-Q280 PolarHBondContact O-N 2.06Å; Q277-V281 WeakPolarHBondContact O-CG2 3.3Å; Q277-V281 PolarHBondContact O-N 2.62Å |
| 278 | A | 90.7 | Very high | 88.1 | Confident | 36 Ų | 36 | 50.5 Ų | 50.5 | 30% | 0.298 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.3 | -39.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | V254 R274 L275 V281 T282 | V254-A278 HydrophobicContact CG1-CB 4.05Å; V254-A278 HydrophobicContact CG2-CB 4.16Å; R274-A278 WeakPolarHBondContact O-CB 3.35Å; R274-A278 PolarHBondContact O-N 2.9Å; L275-A278 PolarHBondContact O-N 2.94Å; A278-V281 PolarHBondContact O-N 3.16Å; A278-T282 VanDerWaalsContact O-CB 3.32Å; A278-T282 WeakPolarHBondContact O-CB 3.31Å; A278-T282 VanDerWaalsContact O-CG2 3.27Å; A278-T282 WeakPolarHBondContact O-CG2 3.42Å; A278-T282 PolarHBondContact O-N 3.48Å; A278-T282 PolarHBondContact O-OG1 3.49Å |
| 279 | M | 90.2 | Very high | 88.6 | Confident | 43 Ų | 43 | 46.1 Ų | 46.1 | 21% | 0.212 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.7 | -47.6 | 178.4 | -170.5 | 169 | 66.9 | 0 | 0 | 110.4 | Y251 V254 N258 L275 D276 Q277 V281 T282 E283 | Y251-M279 HydrophobicContact CE2-CG 4.26Å; V254-M279 HydrophobicContact CG1-CB 3.87Å; N258-M279 HydrophobicContact CB-SD 4.49Å; L275-M279 VanDerWaalsContact O-CB 3.3Å; L275-M279 WeakPolarHBondContact O-CB 3.45Å; L275-M279 PolarHBondContact O-N 2.96Å; D276-M279 PolarHBondContact O-N 3.36Å; Q277-M279 VanDerWaalsContact C-N 3.26Å; Q277-M279 PolarHBondContact O-N 3.31Å; M279-V281 PolarHBondContact O-N 3.31Å; M279-T282 PolarHBondContact O-N 2.66Å; M279-T282 PolarHBondContact O-OG1 3.01Å; M279-E283 WeakPolarHBondContact O-CB 3.36Å; M279-E283 PolarHBondContact O-N 3.43Å |
| 280 | Q | 88.2 | Confident | 89 | Confident | 63 Ų | 63 | 42.9 Ų | 42.9 | 29% | 0.294 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.8 | -46 | 176.9 | -172.8 | 65.7 | 61.8 | 0 | 0 | 112.2 | L33 D276 Q277 T284 | L33-Q280 HydrophobicContact CD1-CG 4.48Å; L33-Q280 VanDerWaalsContact CD1-NE2 3.33Å; D276-Q280 PolarHBondContact O-N 3.36Å; Q277-Q280 PolarHBondContact O-N 2.06Å; Q280-T284 VanDerWaalsContact O-CB 3.32Å; Q280-T284 WeakPolarHBondContact O-CB 3.31Å; Q280-T284 PolarHBondContact O-N 2.93Å; Q280-T284 PolarHBondContact O-OG1 2.92Å |
| 281 | V | 91.3 | Very high | 89.4 | Confident | 101 Ų | 101 | 40.1 Ų | 40.1 | 61% | 0.612 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -66.3 | -47 | -179 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | Q277 A278 M279 T284 L285 | Q277-V281 WeakPolarHBondContact O-CG2 3.3Å; Q277-V281 PolarHBondContact O-N 2.62Å; A278-V281 PolarHBondContact O-N 3.16Å; M279-V281 PolarHBondContact O-N 3.31Å; V281-T284 WeakPolarHBondContact O-CB 3.37Å; V281-T284 PolarHBondContact O-N 2.87Å; V281-L285 PolarHBondContact O-N 3.42Å |
| 282 | T | 94.6 | Very high | 89.8 | Confident | 18 Ų | 18 | 40.1 Ų | 40.1 | 11% | 0.11 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71.6 | -34.2 | -178.1 | 54.8 | 0 | 0 | 0 | 0 | 112.5 | P250 V254 A278 M279 L285 G286 | P250-T282 HydrophobicContact CB-CG2 3.61Å; V254-T282 HydrophobicContact CG2-CG2 4.1Å; A278-T282 VanDerWaalsContact O-CB 3.32Å; A278-T282 WeakPolarHBondContact O-CB 3.31Å; A278-T282 VanDerWaalsContact O-CG2 3.27Å; A278-T282 WeakPolarHBondContact O-CG2 3.42Å; A278-T282 PolarHBondContact O-N 3.48Å; A278-T282 PolarHBondContact O-OG1 3.49Å; M279-T282 PolarHBondContact O-N 2.66Å; M279-T282 PolarHBondContact O-OG1 3.01Å; T282-L285 WeakPolarHBondContact O-CB 3.3Å; T282-L285 PolarHBondContact O-N 3.39Å; T282-G286 PolarHBondContact O-N 3.08Å |
| 283 | E | 92.1 | Very high | 90.1 | Very high | 43 Ų | 43 | 39 Ų | 39 | 20% | 0.201 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.9 | -47.2 | 170.8 | -176.9 | 171.7 | -153.5 | 0 | 0 | 110.7 | Y251 M279 L285 G286 M287 | Y251-E283 HydrophobicContact CD2-CB 3.63Å; Y251-E283 HydrophobicContact CD2-CG 4.29Å; Y251-E283 HydrophobicContact CE2-CB 3.66Å; Y251-E283 HydrophobicContact CE2-CG 3.97Å; M279-E283 WeakPolarHBondContact O-CB 3.36Å; M279-E283 PolarHBondContact O-N 3.43Å; E283-L285 VanDerWaalsContact C-N 3.29Å; E283-L285 PolarHBondContact O-N 3.14Å; E283-G286 CarbonylContact O-C 3.58Å; E283-G286 WeakPolarHBondContact O-CA 3.32Å; E283-G286 PolarHBondContact O-N 3Å; E283-G286 VanDerWaalsContact O-N 3.09Å; E283-M287 HydrophobicContact CG-CE 3.87Å; E283-M287 HydrophobicContact CG-CG 4.48Å; E283-M287 WeakPolarHBondContact O-CG 3.28Å; E283-M287 PolarHBondContact O-N 2.87Å |
| 284 | T | 91.8 | Very high | 90.4 | Very high | 15 Ų | 15 | 37.7 Ų | 37.7 | 9% | 0.092 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.9 | -43.7 | 176.6 | -58.2 | 0 | 0 | 0 | 0 | 111.1 | L33 L36 F37 Q280 V281 M287 T288 | L33-T284 HydrophobicContact CD2-CG2 3.55Å; L33-T284 VanDerWaalsContact CD2-OG1 3.24Å; L33-T284 WeakPolarHBondContact CD2-OG1 3.13Å; L36-T284 HydrophobicContact CD2-CG2 3.48Å; L36-T284 VanDerWaalsContact CD2-CG2 3.48Å; F37-T284 HydrophobicContact CE1-CG2 3.94Å; F37-T284 HydrophobicContact CZ-CG2 4.5Å; Q280-T284 VanDerWaalsContact O-CB 3.32Å; Q280-T284 WeakPolarHBondContact O-CB 3.31Å; Q280-T284 PolarHBondContact O-N 2.93Å; Q280-T284 PolarHBondContact O-OG1 2.92Å; V281-T284 WeakPolarHBondContact O-CB 3.37Å; V281-T284 PolarHBondContact O-N 2.87Å; T284-M287 PolarHBondContact O-N 3.4Å; T284-T288 VanDerWaalsContact O-CG2 3.28Å; T284-T288 WeakPolarHBondContact O-CG2 3Å; T284-T288 PolarHBondContact O-N 3.3Å; T284-T288 VanDerWaalsContact O-N 3.12Å |
| 285 | L | 94.6 | Very high | 90.5 | Very high | 65 Ų | 65 | 33.1 Ų | 33.1 | 34% | 0.34 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -58 | -50.9 | 173.6 | 179.2 | 65.3 | 0 | 0 | 0 | 110.6 | F247 P250 V281 T282 E283 M287 T288 | F247-L285 HydrophobicContact CD1-CD1 3.96Å; F247-L285 HydrophobicContact CD1-CG 4.27Å; F247-L285 VanDerWaalsContact CD1-O 3.3Å; F247-L285 WeakPolarHBondContact CD1-O 3.24Å; F247-L285 HydrophobicContact CE1-CD1 4.04Å; F247-L285 HydrophobicContact CG-CD1 4.48Å; P250-L285 HydrophobicContact CG-CD2 4.33Å; V281-L285 PolarHBondContact O-N 3.42Å; T282-L285 WeakPolarHBondContact O-CB 3.3Å; T282-L285 PolarHBondContact O-N 3.39Å; E283-L285 VanDerWaalsContact C-N 3.29Å; E283-L285 PolarHBondContact O-N 3.14Å; L285-M287 VanDerWaalsContact C-N 3.3Å; L285-M287 PolarHBondContact O-N 2.91Å; L285-T288 PolarHBondContact O-N 3.29Å; L285-T288 PolarHBondContact O-OG1 3.44Å |
| 286 | G | 94.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -55.1 | -43.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | W248 T282 E283 T288 H289 | W248-G286 VanDerWaalsContact CZ2-C 3.5Å; W248-G286 WeakPolarHBondContact CZ2-O 3.49Å; T282-G286 PolarHBondContact O-N 3.08Å; E283-G286 CarbonylContact O-C 3.58Å; E283-G286 WeakPolarHBondContact O-CA 3.32Å; E283-G286 PolarHBondContact O-N 3Å; E283-G286 VanDerWaalsContact O-N 3.09Å; G286-T288 VanDerWaalsContact C-N 3.27Å; G286-T288 PolarHBondContact O-N 3.35Å; G286-H289 WeakPolarHBondContact O-CB 3.31Å; G286-H289 PolarHBondContact O-N 2.9Å |
| 287 | M | 90.6 | Very high | 90.5 | Very high | 10 Ų | 10 | 32.2 Ų | 32.2 | 5% | 0.049 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.7 | -34.3 | 177 | -67.4 | -175.2 | 171.9 | 0 | 0 | 112.6 | F37 F79 Y108 E283 T284 L285 H289 C290 | F37-M287 HydrophobicContact CE1-CB 4.28Å; F37-M287 HydrophobicContact CE1-SD 3.68Å; F37-M287 HydrophobicContact CE2-SD 4.03Å; F37-M287 HydrophobicContact CZ-SD 3.3Å; F37-M287 WeakPolarHBondContact CZ-SD 3.48Å; F79-M287 HydrophobicContact CE1-CB 4.06Å; F79-M287 HydrophobicContact CE1-CG 4.18Å; F79-M287 HydrophobicContact CZ-CB 4.11Å; F79-M287 HydrophobicContact CZ-CG 3.81Å; Y108-M287 HydrophobicContact CE2-CE 3.83Å; E283-M287 HydrophobicContact CG-CE 3.87Å; E283-M287 HydrophobicContact CG-CG 4.48Å; E283-M287 WeakPolarHBondContact O-CG 3.28Å; E283-M287 PolarHBondContact O-N 2.87Å; T284-M287 PolarHBondContact O-N 3.4Å; L285-M287 VanDerWaalsContact C-N 3.3Å; L285-M287 PolarHBondContact O-N 2.91Å; M287-H289 PolarHBondContact O-N 3.4Å; M287-C290 PolarHBondContact O-SG 3.39Å |
| 288 | T | 93.1 | Very high | 90.3 | Very high | 23 Ų | 23 | 29.9 Ų | 29.9 | 14% | 0.141 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.8 | -17.6 | 177.4 | 69 | 0 | 0 | 0 | 0 | 113.5 | V40 F247 T284 L285 G286 C290 C291 | V40-T288 HydrophobicContact CG2-CG2 3.77Å; F247-T288 WeakPolarHBondContact CD1-OG1 3.32Å; F247-T288 VanDerWaalsContact CE1-OG1 3.25Å; F247-T288 WeakPolarHBondContact CE1-OG1 3.23Å; T284-T288 VanDerWaalsContact O-CG2 3.28Å; T284-T288 WeakPolarHBondContact O-CG2 3Å; T284-T288 PolarHBondContact O-N 3.3Å; T284-T288 VanDerWaalsContact O-N 3.12Å; L285-T288 PolarHBondContact O-N 3.29Å; L285-T288 PolarHBondContact O-OG1 3.44Å; G286-T288 VanDerWaalsContact C-N 3.27Å; G286-T288 PolarHBondContact O-N 3.35Å; T288-C290 PolarHBondContact O-N 3.05Å; T288-C290 VanDerWaalsContact O-N 3.17Å; T288-C291 PolarHBondContact O-N 2.92Å; T288-C291 PolarHBondContact O-SG 3.47Å |
| 289 | H | 93.8 | Very high | 89.6 | Confident | 10 Ų | 10 | 36.3 Ų | 36.3 | 5% | 0.046 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -56 | -34.8 | -179.3 | 175.7 | -96.4 | 0 | 0 | 0 | 113.4 | Y244 F247 W248 G286 M287 C291 I292 | Y244-H289 AromaticContact CD2-CE1 3.89Å; Y244-H289 AromaticContact CD2-NE2 3.96Å; F247-H289 HydrophobicContact CB-CB 3.93Å; F247-H289 HydrophobicContact CD1-CB 3.93Å; F247-H289 HydrophobicContact CG-CB 4.15Å; W248-H289 AromaticContact CD1-CG 3.91Å; W248-H289 AromaticContact NE1-CG 3.58Å; W248-H289 AromaticContact NE1-ND1 3.64Å; G286-H289 WeakPolarHBondContact O-CB 3.31Å; G286-H289 PolarHBondContact O-N 2.9Å; M287-H289 PolarHBondContact O-N 3.4Å; H289-C291 PolarHBondContact O-N 3.16Å; H289-C291 VanDerWaalsContact O-N 3.09Å; H289-I292 WeakPolarHBondContact O-CB 3.33Å; H289-I292 PolarHBondContact O-N 3.21Å |
| 290 | C | 90.1 | Very high | 88.9 | Confident | 4 Ų | 4 | 35.9 Ų | 35.9 | 3% | 0.027 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -63.2 | -18.6 | -175.1 | 62.8 | 0 | 0 | 0 | 0 | 114 | N48 D76 F79 L80 M287 T288 | N48-C290 PolarHBondContact ND2-O 3.49Å; D76-C290 HydrophobicContact CB-CB 4.25Å; F79-C290 HydrophobicContact CD1-CB 4.01Å; L80-C290 HydrophobicContact CD2-CB 4.49Å; L80-C290 WeakPolarHBondContact CD2-SG 3.35Å; L80-C290 HydrophobicContact CG-CB 4.26Å; M287-C290 PolarHBondContact O-SG 3.39Å; T288-C290 PolarHBondContact O-N 3.05Å; T288-C290 VanDerWaalsContact O-N 3.17Å |
| 291 | C | 90.9 | Very high | 88.2 | Confident | 15 Ų | 15 | 33.3 Ų | 33.3 | 10% | 0.101 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -95 | -6.6 | 173.8 | 72.2 | 0 | 0 | 0 | 0 | 113.9 | F43 T288 H289 | F43-C291 HydrophobicContact CB-CB 4.41Å; T288-C291 PolarHBondContact O-N 2.92Å; T288-C291 PolarHBondContact O-SG 3.47Å; H289-C291 PolarHBondContact O-N 3.16Å; H289-C291 VanDerWaalsContact O-N 3.09Å |
| 292 | I | 92.1 | Very high | 87.3 | Confident | 34 Ų | 34 | 32 Ų | 32 | 17% | 0.174 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -83.4 | -30.1 | -176 | -52.7 | -60.5 | 0 | 0 | 0 | 112 | V243 F247 H289 I295 I296 | V243-I292 HydrophobicContact CG1-CB 4.5Å; V243-I292 HydrophobicContact CG1-CG2 3.71Å; F247-I292 HydrophobicContact CE1-CD1 4.22Å; F247-I292 HydrophobicContact CE1-CG1 3.79Å; F247-I292 HydrophobicContact CZ-CD1 4.1Å; F247-I292 HydrophobicContact CZ-CG1 3.83Å; H289-I292 WeakPolarHBondContact O-CB 3.33Å; H289-I292 PolarHBondContact O-N 3.21Å; I292-I295 HydrophobicContact CD1-CD1 4.26Å; I292-I295 WeakPolarHBondContact O-CA 3.47Å; I292-I295 VanDerWaalsContact O-CB 3.31Å; I292-I295 WeakPolarHBondContact O-CB 3.41Å; I292-I295 PolarHBondContact O-N 2.85Å; I292-I296 HydrophobicContact CG2-CD1 4.02Å; I292-I296 HydrophobicContact CG2-CG1 4Å; I292-I296 WeakPolarHBondContact O-CG1 3.21Å; I292-I296 PolarHBondContact O-N 3.4Å |
| 293 | N | 88.4 | Confident | 86.2 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -54.2 | -51 | -179.9 | -75.4 | -30.3 | 0 | 0 | 0 | 113.3 | D76 I295 I296 Y297 | D76-N293 PolarHBondContact OD2-ND2 3.49Å; N293-I295 VanDerWaalsContact C-N 3.28Å; N293-I295 PolarHBondContact O-N 3.06Å; N293-I296 PolarHBondContact O-N 3.28Å; N293-Y297 HydrophobicContact CB-CE2 4.19Å; N293-Y297 WeakPolarHBondContact O-CD2 3.33Å; N293-Y297 VanDerWaalsContact O-CG 3.27Å; N293-Y297 PolarHBondContact O-N 3.39Å |
| 294 | P | 88.6 | Confident | 85.2 | Confident | 14 Ų | 14 | 36.1 Ų | 36.1 | 9% | 0.091 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.1 | -37.3 | 174.2 | -25.2 | 34.5 | 0 | 0 | 0 | 113.8 | V51 Y297 A298 | V51-P294 HydrophobicContact CG2-CB 3.98Å; V51-P294 HydrophobicContact CG2-CG 4.14Å; P294-Y297 PolarHBondContact O-N 3.18Å; P294-A298 PolarHBondContact O-N 2.91Å |
| 295 | I | 88.5 | Confident | 84.5 | Confident | 79 Ų | 79 | 41.9 Ų | 41.9 | 41% | 0.405 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.9 | -47.6 | 177.8 | -61.9 | 175.7 | 0 | 0 | 0 | 109.5 | I292 N293 Y297 A298 F299 | I292-I295 HydrophobicContact CD1-CD1 4.26Å; I292-I295 WeakPolarHBondContact O-CA 3.47Å; I292-I295 VanDerWaalsContact O-CB 3.31Å; I292-I295 WeakPolarHBondContact O-CB 3.41Å; I292-I295 PolarHBondContact O-N 2.85Å; N293-I295 VanDerWaalsContact C-N 3.28Å; N293-I295 PolarHBondContact O-N 3.06Å; I295-Y297 VanDerWaalsContact C-N 3.27Å; I295-Y297 PolarHBondContact O-N 3.28Å; I295-A298 PolarHBondContact O-N 3.41Å; I295-A298 VanDerWaalsContact O-N 3.14Å; I295-F299 HydrophobicContact CG2-CD2 3.61Å; I295-F299 HydrophobicContact CG2-CE2 3.76Å; I295-F299 VanDerWaalsContact O-CD2 3.25Å; I295-F299 WeakPolarHBondContact O-CD2 3.49Å; I295-F299 PolarHBondContact O-N 2.96Å |
| 296 | I | 87.4 | Confident | 83.8 | Confident | 10 Ų | 10 | 43.3 Ų | 43.3 | 5% | 0.051 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.3 | -44.4 | 175.4 | -63.7 | 169.4 | 0 | 0 | 0 | 110.3 | L236 T239 I240 V243 I292 N293 A298 F299 V300 | L236-I296 HydrophobicContact CD1-CG2 3.95Å; T239-I296 HydrophobicContact CG2-CG2 4.07Å; I240-I296 HydrophobicContact CG1-CD1 4.38Å; I240-I296 HydrophobicContact CG1-CG2 3.91Å; V243-I296 HydrophobicContact CB-CD1 3.91Å; V243-I296 HydrophobicContact CG1-CD1 3.95Å; V243-I296 HydrophobicContact CG2-CD1 3.99Å; I292-I296 HydrophobicContact CG2-CD1 4.02Å; I292-I296 HydrophobicContact CG2-CG1 4Å; I292-I296 WeakPolarHBondContact O-CG1 3.21Å; I292-I296 PolarHBondContact O-N 3.4Å; N293-I296 PolarHBondContact O-N 3.28Å; I296-A298 PolarHBondContact O-N 3.14Å; I296-F299 PolarHBondContact O-N 3.41Å; I296-V300 HydrophobicContact CG2-CB 4.27Å; I296-V300 HydrophobicContact CG2-CG2 4.08Å; I296-V300 WeakPolarHBondContact O-CA 3.43Å; I296-V300 VanDerWaalsContact O-CB 3.24Å; I296-V300 WeakPolarHBondContact O-CB 3.37Å; I296-V300 WeakPolarHBondContact O-CG2 3.29Å; I296-V300 PolarHBondContact O-N 3.36Å |
| 297 | Y | 84.1 | Confident | 83 | Confident | 11 Ų | 11 | 47.1 Ų | 47.1 | 4% | 0.043 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.3 | -39.5 | 179 | -55.5 | -34.9 | 0 | 0 | 0 | 112.7 | V51 L69 L72 L236 I240 N293 P294 I295 G301 F304 | V51-Y297 HydrophobicContact CG1-CD2 4.04Å; V51-Y297 HydrophobicContact CG1-CE2 3.99Å; V51-Y297 HydrophobicContact CG2-CD2 3.7Å; V51-Y297 HydrophobicContact CG2-CE2 4.21Å; L69-Y297 HydrophobicContact CD2-CE1 3.96Å; L72-Y297 WeakPolarHBondContact CD2-OH 3.36Å; L236-Y297 HydrophobicContact CD1-CD1 4.27Å; I240-Y297 HydrophobicContact CD1-CE1 3.66Å; I240-Y297 HydrophobicContact CG1-CE1 4.32Å; N293-Y297 HydrophobicContact CB-CE2 4.19Å; N293-Y297 WeakPolarHBondContact O-CD2 3.33Å; N293-Y297 VanDerWaalsContact O-CG 3.27Å; N293-Y297 PolarHBondContact O-N 3.39Å; P294-Y297 PolarHBondContact O-N 3.18Å; I295-Y297 VanDerWaalsContact C-N 3.27Å; I295-Y297 PolarHBondContact O-N 3.28Å; Y297-G301 VanDerWaalsContact O-CA 3.24Å; Y297-G301 WeakPolarHBondContact O-CA 3.38Å; Y297-G301 PolarHBondContact O-N 2.73Å; Y297-G301 VanDerWaalsContact O-N 3.08Å; Y297-F304 WeakPolarHBondContact O-CD1 3.18Å |
| 298 | A | 80.9 | Confident | 82.3 | Confident | 33 Ų | 33 | 47.7 Ų | 47.7 | 27% | 0.273 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.5 | -40.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | P294 I295 I296 L308 | P294-A298 PolarHBondContact O-N 2.91Å; I295-A298 PolarHBondContact O-N 3.41Å; I295-A298 VanDerWaalsContact O-N 3.14Å; I296-A298 PolarHBondContact O-N 3.14Å; A298-L308 HydrophobicContact CB-CD1 4.21Å |
| 299 | F | 76.8 | Confident | 81.6 | Confident | 172 Ų | 172 | 51 Ų | 51 | 75% | 0.754 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -91.4 | -38.4 | -175.4 | -72.7 | -74.4 | 0 | 0 | 0 | 113.9 | I295 I296 | I295-F299 HydrophobicContact CG2-CD2 3.61Å; I295-F299 HydrophobicContact CG2-CE2 3.76Å; I295-F299 VanDerWaalsContact O-CD2 3.25Å; I295-F299 WeakPolarHBondContact O-CD2 3.49Å; I295-F299 PolarHBondContact O-N 2.96Å; I296-F299 PolarHBondContact O-N 3.41Å |
| 300 | V | 74.6 | Confident | 80.9 | Confident | 33 Ų | 33 | 54 Ų | 54 | 20% | 0.2 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -96.5 | -28.9 | -174.4 | -172.3 | 0 | 0 | 0 | 0 | 111.7 | L236 T239 I296 E302 | L236-V300 HydrophobicContact CB-CG1 4.39Å; L236-V300 HydrophobicContact CD1-CB 3.86Å; L236-V300 HydrophobicContact CD1-CG1 3.87Å; T239-V300 HydrophobicContact CG2-CG2 4.19Å; I296-V300 HydrophobicContact CG2-CB 4.27Å; I296-V300 HydrophobicContact CG2-CG2 4.08Å; I296-V300 WeakPolarHBondContact O-CA 3.43Å; I296-V300 VanDerWaalsContact O-CB 3.24Å; I296-V300 WeakPolarHBondContact O-CB 3.37Å; I296-V300 WeakPolarHBondContact O-CG2 3.29Å; I296-V300 PolarHBondContact O-N 3.36Å; V300-E302 PolarHBondContact O-N 3.41Å |
| 301 | G | 73.3 | Confident | 80.3 | Confident | 10 Ų | 10 | 55 Ų | 55 | 10% | 0.103 | 27% | 0.27 | C | S | . | . | trans | -89.6 | 86.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y297 K303 F304 R305 | Y297-G301 VanDerWaalsContact O-CA 3.24Å; Y297-G301 WeakPolarHBondContact O-CA 3.38Å; Y297-G301 PolarHBondContact O-N 2.73Å; Y297-G301 VanDerWaalsContact O-N 3.08Å; G301-K303 PolarHBondContact O-N 3.01Å; G301-K303 VanDerWaalsContact O-N 3.14Å; G301-F304 WeakPolarHBondContact O-CA 3.26Å; G301-F304 WeakPolarHBondContact O-CB 3.3Å; G301-F304 PolarHBondContact O-N 3.04Å; G301-R305 PolarHBondContact O-N 3.41Å | ||
| 302 | E | 72.9 | Confident | 79.8 | Confident | 73 Ų | 73 | 58.6 Ų | 58.6 | 34% | 0.341 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -51.2 | -41.5 | 177.3 | -70.1 | 173.2 | -168.2 | 0 | 0 | 113.5 | R232 V300 R305 N306 | R232-E302 IonicContact CZ-OE1 3.21Å; R232-E302 IonicContact CZ-OE2 3.78Å; R232-E302 IonicContact NE-OE1 3.53Å; R232-E302 IonicContact NE-OE2 2.75Å; R232-E302 IonicContact NH1-OE2 3.88Å; R232-E302 PolarHBondContact NH1-OE2 3.19Å; V300-E302 PolarHBondContact O-N 3.41Å; E302-R305 PolarHBondContact O-N 3Å; E302-N306 PolarHBondContact O-N 2.94Å |
| 303 | K | 71.3 | Confident | 79.1 | Confident | 128 Ų | 128 | 63.1 Ų | 63.1 | 56% | 0.557 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -64.1 | -43.9 | 176.1 | -70 | -173 | 176.2 | -172.4 | 0 | 111.8 | G301 R305 N306 Y307 | G301-K303 PolarHBondContact O-N 3.01Å; G301-K303 VanDerWaalsContact O-N 3.14Å; K303-R305 VanDerWaalsContact C-N 3.34Å; K303-N306 PolarHBondContact O-N 3.31Å; K303-Y307 HydrophobicContact CB-CE2 4.29Å; K303-Y307 WeakPolarHBondContact O-CD2 3.41Å; K303-Y307 PolarHBondContact O-N 3.18Å; K303-Y307 VanDerWaalsContact O-N 3.07Å |
| 304 | F | 71.5 | Confident | 78.4 | Confident | 19 Ų | 19 | 69.8 Ų | 69.8 | 8% | 0.083 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.1 | -40.4 | -179.2 | -174.4 | -100.9 | 0 | 0 | 0 | 111 | V51 I54 Y297 G301 N306 Y307 L308 | V51-F304 HydrophobicContact CB-CE2 4.39Å; V51-F304 HydrophobicContact CB-CZ 4.28Å; V51-F304 HydrophobicContact CG1-CE2 4.36Å; V51-F304 HydrophobicContact CG2-CE1 4.4Å; V51-F304 HydrophobicContact CG2-CE2 4.08Å; V51-F304 HydrophobicContact CG2-CZ 3.57Å; I54-F304 HydrophobicContact CB-CE2 4.01Å; I54-F304 HydrophobicContact CD1-CE1 4.49Å; I54-F304 HydrophobicContact CD1-CE2 3.79Å; I54-F304 HydrophobicContact CD1-CZ 3.72Å; I54-F304 HydrophobicContact CG2-CD2 3.99Å; I54-F304 HydrophobicContact CG2-CE2 3.77Å; Y297-F304 WeakPolarHBondContact O-CD1 3.18Å; G301-F304 WeakPolarHBondContact O-CA 3.26Å; G301-F304 WeakPolarHBondContact O-CB 3.3Å; G301-F304 PolarHBondContact O-N 3.04Å; F304-N306 VanDerWaalsContact C-N 3.34Å; F304-N306 PolarHBondContact O-N 2.74Å; F304-Y307 PolarHBondContact O-N 3.41Å; F304-L308 HydrophobicContact CD1-CD1 3.53Å; F304-L308 HydrophobicContact CD1-CG 4.01Å; F304-L308 HydrophobicContact CE1-CD1 3.33Å; F304-L308 HydrophobicContact CE1-CD2 4.24Å; F304-L308 HydrophobicContact CE1-CG 3.7Å; F304-L308 HydrophobicContact CZ-CD1 4.26Å; F304-L308 HydrophobicContact CZ-CD2 4.44Å; F304-L308 HydrophobicContact CZ-CG 4.18Å; F304-L308 WeakPolarHBondContact O-CB 3.36Å; F304-L308 PolarHBondContact O-N 2.82Å |
| 305 | R | 77.5 | Confident | 77.5 | Confident | 137 Ų | 137 | 73.3 Ų | 73.3 | 52% | 0.517 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.3 | -42.8 | 173 | -168.6 | 178.7 | 69.4 | -174.6 | 2.8 | 112.8 | G301 E302 K303 L308 L309 | G301-R305 PolarHBondContact O-N 3.41Å; E302-R305 PolarHBondContact O-N 3Å; K303-R305 VanDerWaalsContact C-N 3.34Å; R305-L308 WeakPolarHBondContact O-CB 3.34Å; R305-L308 PolarHBondContact O-N 3.38Å; R305-L309 WeakPolarHBondContact O-CG 3.25Å; R305-L309 PolarHBondContact O-N 3.04Å |
| 306 | N | 79 | Confident | 76.5 | Confident | 94 Ų | 94 | 72.5 Ų | 72.5 | 50% | 0.503 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.3 | -41.1 | 176.6 | -70.9 | -4 | 0 | 0 | 0 | 111.8 | E302 K303 F304 L309 V310 | E302-N306 PolarHBondContact O-N 2.94Å; K303-N306 PolarHBondContact O-N 3.31Å; F304-N306 VanDerWaalsContact C-N 3.34Å; F304-N306 PolarHBondContact O-N 2.74Å; N306-L309 PolarHBondContact O-N 3.4Å; N306-V310 WeakPolarHBondContact O-CG2 3.27Å; N306-V310 PolarHBondContact O-N 3.27Å |
| 307 | Y | 77.6 | Confident | 75.3 | Confident | 80 Ų | 80 | 74.2 Ų | 74.2 | 31% | 0.314 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.7 | -37.7 | 174.8 | -68.5 | -62.4 | 0 | 0 | 0 | 112.8 | I54 C58 K59 K303 F304 V310 F311 | I54-Y307 HydrophobicContact CG2-CG 4.35Å; C58-Y307 HydrophobicContact CB-CD1 3.64Å; C58-Y307 HydrophobicContact CB-CE1 4.26Å; C58-Y307 HydrophobicContact CB-CG 4.16Å; K59-Y307 HydrophobicContact CD-CD2 4.32Å; K59-Y307 HydrophobicContact CD-CE2 4.06Å; K59-Y307 HydrophobicContact CG-CD2 3.92Å; K59-Y307 HydrophobicContact CG-CE1 4.37Å; K59-Y307 HydrophobicContact CG-CE2 3.52Å; K303-Y307 HydrophobicContact CB-CE2 4.29Å; K303-Y307 WeakPolarHBondContact O-CD2 3.41Å; K303-Y307 PolarHBondContact O-N 3.18Å; K303-Y307 VanDerWaalsContact O-N 3.07Å; F304-Y307 PolarHBondContact O-N 3.41Å; Y307-V310 PolarHBondContact O-N 3.38Å; Y307-F311 VanDerWaalsContact O-CB 3.27Å; Y307-F311 WeakPolarHBondContact O-CB 3.37Å; Y307-F311 PolarHBondContact O-N 3.28Å |
| 308 | L | 76.6 | Confident | 74 | Confident | 22 Ų | 22 | 80.8 Ų | 80.8 | 12% | 0.115 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -56.1 | -52.4 | 171.1 | -86.5 | 168 | 0 | 0 | 0 | 110.2 | L50 I54 A298 F304 R305 V310 F311 F312 | L50-L308 HydrophobicContact CD1-CD2 4.33Å; L50-L308 HydrophobicContact CD2-CD2 3.39Å; L50-L308 HydrophobicContact CG-CD2 3.82Å; I54-L308 HydrophobicContact CD1-CB 4.37Å; I54-L308 HydrophobicContact CD1-CD2 3.38Å; I54-L308 HydrophobicContact CD1-CG 3.59Å; A298-L308 HydrophobicContact CB-CD1 4.21Å; F304-L308 HydrophobicContact CD1-CD1 3.53Å; F304-L308 HydrophobicContact CD1-CG 4.01Å; F304-L308 HydrophobicContact CE1-CD1 3.33Å; F304-L308 HydrophobicContact CE1-CD2 4.24Å; F304-L308 HydrophobicContact CE1-CG 3.7Å; F304-L308 HydrophobicContact CZ-CD1 4.26Å; F304-L308 HydrophobicContact CZ-CD2 4.44Å; F304-L308 HydrophobicContact CZ-CG 4.18Å; F304-L308 WeakPolarHBondContact O-CB 3.36Å; F304-L308 PolarHBondContact O-N 2.82Å; R305-L308 WeakPolarHBondContact O-CB 3.34Å; R305-L308 PolarHBondContact O-N 3.38Å; L308-V310 VanDerWaalsContact C-N 3.34Å; L308-V310 PolarHBondContact O-N 3.41Å; L308-F311 WeakPolarHBondContact O-CB 3.44Å; L308-F311 PolarHBondContact O-N 3.22Å; L308-F311 VanDerWaalsContact O-N 3.12Å; L308-F312 HydrophobicContact CB-CD2 4.45Å; L308-F312 HydrophobicContact CD2-CD2 4.49Å; L308-F312 HydrophobicContact CD2-CE2 3.91Å; L308-F312 WeakPolarHBondContact O-CD2 3.39Å; L308-F312 PolarHBondContact O-N 3.28Å |
| 309 | L | 78.1 | Confident | 72.8 | Confident | 92 Ų | 92 | 88.8 Ų | 88.8 | 48% | 0.482 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -58 | -45.4 | 179.4 | -71.4 | 171 | 0 | 0 | 0 | 112.1 | R305 N306 F311 F312 Q313 | R305-L309 WeakPolarHBondContact O-CG 3.25Å; R305-L309 PolarHBondContact O-N 3.04Å; N306-L309 PolarHBondContact O-N 3.4Å; L309-F311 VanDerWaalsContact C-N 3.34Å; L309-F311 PolarHBondContact O-N 3.31Å; L309-F312 PolarHBondContact O-N 3.43Å; L309-Q313 WeakPolarHBondContact O-CB 3.21Å; L309-Q313 VanDerWaalsContact O-CG 3.25Å; L309-Q313 WeakPolarHBondContact O-CG 3.48Å; L309-Q313 PolarHBondContact O-N 2.84Å |
| 310 | V | 79.1 | Confident | 71.7 | Confident | 74 Ų | 74 | 87.6 Ų | 87.6 | 45% | 0.448 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 176.3 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | N306 Y307 L308 Q313 K314 | N306-V310 WeakPolarHBondContact O-CG2 3.27Å; N306-V310 PolarHBondContact O-N 3.27Å; Y307-V310 PolarHBondContact O-N 3.38Å; L308-V310 VanDerWaalsContact C-N 3.34Å; L308-V310 PolarHBondContact O-N 3.41Å; V310-Q313 PolarHBondContact O-N 3Å; V310-K314 WeakPolarHBondContact O-CB 3.43Å; V310-K314 PolarHBondContact O-N 3.28Å |
| 311 | F | 77.1 | Confident | 70.4 | Confident | 24 Ų | 24 | 90.2 Ų | 90.2 | 11% | 0.105 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -63.8 | -46.8 | 176.8 | -177.8 | -92.5 | 0 | 0 | 0 | 111.4 | L50 L53 I54 Y307 L308 L309 Q313 K314 H315 I316 | L50-F311 HydrophobicContact CD1-CD1 3.79Å; L50-F311 HydrophobicContact CD1-CE1 3.61Å; L50-F311 HydrophobicContact CD1-CZ 4.33Å; L53-F311 HydrophobicContact CB-CE2 4.49Å; L53-F311 HydrophobicContact CD1-CZ 4.33Å; I54-F311 HydrophobicContact CG1-CB 4.45Å; I54-F311 HydrophobicContact CG1-CG 4.46Å; Y307-F311 VanDerWaalsContact O-CB 3.27Å; Y307-F311 WeakPolarHBondContact O-CB 3.37Å; Y307-F311 PolarHBondContact O-N 3.28Å; L308-F311 WeakPolarHBondContact O-CB 3.44Å; L308-F311 PolarHBondContact O-N 3.22Å; L308-F311 VanDerWaalsContact O-N 3.12Å; L309-F311 VanDerWaalsContact C-N 3.34Å; L309-F311 PolarHBondContact O-N 3.31Å; F311-Q313 PolarHBondContact O-N 2.91Å; F311-K314 PolarHBondContact O-N 2.81Å; F311-H315 AromaticContact CD2-CD2 3.69Å; F311-H315 AromaticContact CE2-CD2 3.74Å; F311-H315 HydrophobicContact CZ-CB 4.44Å; F311-H315 WeakPolarHBondContact O-CB 3.2Å; F311-H315 PolarHBondContact O-N 2.94Å; F311-I316 HydrophobicContact CE1-CD1 4.42Å |
| 312 | F | 79.9 | Confident | 69 | Low | 91 Ų | 91 | 98.4 Ų | 98.4 | 40% | 0.399 | 46% | 0.458 | S | S | . | . | I | π-helix | trans | -58.8 | -47.2 | 174.3 | -84.1 | -75.1 | 0 | 0 | 0 | 111.1 | L308 L309 K314 I316 A317 | L308-F312 HydrophobicContact CB-CD2 4.45Å; L308-F312 HydrophobicContact CD2-CD2 4.49Å; L308-F312 HydrophobicContact CD2-CE2 3.91Å; L308-F312 WeakPolarHBondContact O-CD2 3.39Å; L308-F312 PolarHBondContact O-N 3.28Å; L309-F312 PolarHBondContact O-N 3.43Å; F312-K314 PolarHBondContact O-N 2.82Å; F312-I316 HydrophobicContact CD1-CB 4.05Å; F312-I316 HydrophobicContact CD1-CD1 3.23Å; F312-I316 HydrophobicContact CD1-CG1 4.17Å; F312-I316 HydrophobicContact CD1-CG2 4.19Å; F312-I316 HydrophobicContact CE1-CD1 3.32Å; F312-I316 HydrophobicContact CG-CD1 4.17Å; F312-I316 HydrophobicContact CZ-CD1 4.31Å; F312-I316 CarbonylContact O-C 3.47Å; F312-I316 WeakPolarHBondContact O-CA 3.2Å; F312-I316 WeakPolarHBondContact O-CB 3.24Å; F312-I316 PolarHBondContact O-N 3.11Å; F312-A317 PolarHBondContact O-N 2.9Å |
| 313 | Q | 77.1 | Confident | 67.7 | Low | 130 Ų | 130 | 100.2 Ų | 100.2 | 61% | 0.607 | 48% | 0.477 | S | S | * | . | I | π-helix | trans | -61.9 | -45 | 178 | -73.8 | 171.3 | -7.3 | 0 | 0 | 112.4 | L309 V310 F311 K318 | L309-Q313 WeakPolarHBondContact O-CB 3.21Å; L309-Q313 VanDerWaalsContact O-CG 3.25Å; L309-Q313 WeakPolarHBondContact O-CG 3.48Å; L309-Q313 PolarHBondContact O-N 2.84Å; V310-Q313 PolarHBondContact O-N 3Å; F311-Q313 PolarHBondContact O-N 2.91Å; Q313-K318 PolarHBondContact O-N 3.05Å |
| 314 | K | 73.4 | Confident | 66.2 | Low | 139 Ų | 139 | 97.9 Ų | 97.9 | 60% | 0.604 | 48% | 0.477 | S | S | * | . | I | π-helix | trans | -75.4 | -37.7 | -174.1 | -171.6 | 177 | 178.5 | -176.8 | 0 | 113.6 | V310 F311 F312 K318 | V310-K314 WeakPolarHBondContact O-CB 3.43Å; V310-K314 PolarHBondContact O-N 3.28Å; F311-K314 PolarHBondContact O-N 2.81Å; F312-K314 PolarHBondContact O-N 2.82Å; K314-K318 WeakPolarHBondContact O-CB 3.3Å |
| 315 | H | 70.6 | Confident | 64.4 | Low | 89 Ų | 89 | 102.4 Ų | 102.4 | 41% | 0.412 | 51% | 0.51 | S | S | . | . | I | π-helix | trans | -111.4 | -30.8 | -170.2 | -69.7 | -79.4 | 0 | 0 | 0 | 114.4 | F311 R319 | F311-H315 AromaticContact CD2-CD2 3.69Å; F311-H315 AromaticContact CE2-CD2 3.74Å; F311-H315 HydrophobicContact CZ-CB 4.44Å; F311-H315 WeakPolarHBondContact O-CB 3.2Å; F311-H315 PolarHBondContact O-N 2.94Å; H315-R319 WeakPolarHBondContact O-CB 3.48Å |
| 316 | I | 68.4 | Low | 62.8 | Low | 62 Ų | 62 | 103 Ų | 103 | 32% | 0.318 | 52% | 0.522 | S | S | . | . | I | π-helix | trans | -101.1 | -54.7 | -175 | -65.8 | 169.1 | 0 | 0 | 0 | 109.3 | F311 F312 K318 R319 F320 | F311-I316 HydrophobicContact CE1-CD1 4.42Å; F312-I316 HydrophobicContact CD1-CB 4.05Å; F312-I316 HydrophobicContact CD1-CD1 3.23Å; F312-I316 HydrophobicContact CD1-CG1 4.17Å; F312-I316 HydrophobicContact CD1-CG2 4.19Å; F312-I316 HydrophobicContact CE1-CD1 3.32Å; F312-I316 HydrophobicContact CG-CD1 4.17Å; F312-I316 HydrophobicContact CZ-CD1 4.31Å; F312-I316 CarbonylContact O-C 3.47Å; F312-I316 WeakPolarHBondContact O-CA 3.2Å; F312-I316 WeakPolarHBondContact O-CB 3.24Å; F312-I316 PolarHBondContact O-N 3.11Å; I316-K318 VanDerWaalsContact C-N 3.33Å; I316-K318 PolarHBondContact O-N 2.82Å; I316-R319 PolarHBondContact O-N 2.85Å; I316-F320 HydrophobicContact CG2-CD2 3.66Å; I316-F320 HydrophobicContact CG2-CE2 3.84Å; I316-F320 WeakPolarHBondContact O-CD2 3.3Å; I316-F320 PolarHBondContact O-N 2.92Å |
| 317 | A | 62 | Low | 60.7 | Low | 45 Ų | 45 | 107.9 Ų | 107.9 | 37% | 0.372 | 54% | 0.539 | S | S | . | . | I | π-helix | trans | -61.8 | -38.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F312 R319 F320 C321 | F312-A317 PolarHBondContact O-N 2.9Å; A317-R319 VanDerWaalsContact C-N 3.32Å; A317-R319 PolarHBondContact O-N 2.87Å; A317-F320 PolarHBondContact O-N 3.18Å; A317-C321 WeakPolarHBondContact O-CB 3.3Å; A317-C321 PolarHBondContact O-N 3.42Å; A317-C321 PolarHBondContact O-SG 3.35Å; A317-C321 VanDerWaalsContact O-SG 3.41Å |
| 318 | K | 56.7 | Low | 58.9 | Low | 150 Ų | 150 | 113.3 Ų | 113.3 | 65% | 0.652 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.9 | -27.1 | 174.7 | -159.1 | 173.9 | -176.6 | 175.9 | 0 | 113.8 | Q313 K314 I316 K322 | Q313-K318 PolarHBondContact O-N 3.05Å; K314-K318 WeakPolarHBondContact O-CB 3.3Å; I316-K318 VanDerWaalsContact C-N 3.33Å; I316-K318 PolarHBondContact O-N 2.82Å; K318-K322 PolarHBondContact O-N 2.92Å |
| 319 | R | 55.3 | Low | 57 | Low | 201 Ų | 201 | 119.8 Ų | 119.8 | 76% | 0.758 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -78.9 | -42.4 | 173 | -103.2 | -179.3 | 168.3 | 178.4 | -3.5 | 111.6 | H315 I316 A317 K322 C323 | H315-R319 WeakPolarHBondContact O-CB 3.48Å; I316-R319 PolarHBondContact O-N 2.85Å; A317-R319 VanDerWaalsContact C-N 3.32Å; A317-R319 PolarHBondContact O-N 2.87Å; R319-K322 WeakPolarHBondContact O-CB 3.41Å; R319-K322 PolarHBondContact O-N 3.49Å; R319-C323 PolarHBondContact O-N 3.38Å; R319-C323 VanDerWaalsContact O-N 3.16Å |
| 320 | F | 53 | Low | 55 | Low | 146 Ų | 146 | 123.2 Ų | 123.2 | 64% | 0.64 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -69.4 | -38.2 | 175.8 | -85.6 | -82 | 0 | 0 | 0 | 112.3 | I316 A317 K322 C323 C324 | I316-F320 HydrophobicContact CG2-CD2 3.66Å; I316-F320 HydrophobicContact CG2-CE2 3.84Å; I316-F320 WeakPolarHBondContact O-CD2 3.3Å; I316-F320 PolarHBondContact O-N 2.92Å; A317-F320 PolarHBondContact O-N 3.18Å; F320-K322 VanDerWaalsContact C-N 3.27Å; F320-K322 PolarHBondContact O-N 3.07Å; F320-C323 CarbonylContact O-C 3.48Å; F320-C323 WeakPolarHBondContact O-CA 3.4Å; F320-C323 PolarHBondContact O-N 3.17Å; F320-C324 PolarHBondContact O-N 3.38Å |
| 321 | C | 47.1 | Very low | 52.9 | Low | 88 Ų | 88 | 123.8 Ų | 123.8 | 60% | 0.595 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.2 | -22.9 | 169.4 | -76.5 | 0 | 0 | 0 | 0 | 113.1 | A317 C324 | A317-C321 WeakPolarHBondContact O-CB 3.3Å; A317-C321 PolarHBondContact O-N 3.42Å; A317-C321 PolarHBondContact O-SG 3.35Å; A317-C321 VanDerWaalsContact O-SG 3.41Å; C321-C324 CarbonylContact O-C 3.56Å; C321-C324 VanDerWaalsContact O-O 3.13Å |
| 322 | K | 45.8 | Very low | 51 | Low | 182 Ų | 182 | 128.9 Ų | 128.9 | 79% | 0.791 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -74.3 | -27.6 | 168 | -100.7 | -172.7 | 173.1 | -169.7 | 0 | 112.8 | K318 R319 F320 | K318-K322 PolarHBondContact O-N 2.92Å; R319-K322 WeakPolarHBondContact O-CB 3.41Å; R319-K322 PolarHBondContact O-N 3.49Å; F320-K322 VanDerWaalsContact C-N 3.27Å; F320-K322 PolarHBondContact O-N 3.07Å |
| 323 | C | 44.2 | Very low | 48.9 | Very low | 111 Ų | 111 | 133.5 Ų | 133.5 | 75% | 0.75 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -85.2 | -17.2 | 171.4 | -81 | 0 | 0 | 0 | 0 | 113.4 | R319 F320 | R319-C323 PolarHBondContact O-N 3.38Å; R319-C323 VanDerWaalsContact O-N 3.16Å; F320-C323 CarbonylContact O-C 3.48Å; F320-C323 WeakPolarHBondContact O-CA 3.4Å; F320-C323 PolarHBondContact O-N 3.17Å |
| 324 | C | 39.9 | Very low | 47.2 | Very low | 80 Ų | 80 | 139 Ų | 139 | 54% | 0.541 | 70% | 0.697 | S | S | . | * | trans | -107 | 80.2 | 172.3 | -72.4 | 0 | 0 | 0 | 0 | 110.4 | F320 C321 I326 | F320-C324 PolarHBondContact O-N 3.38Å; C321-C324 CarbonylContact O-C 3.56Å; C321-C324 VanDerWaalsContact O-O 3.13Å; C324-I326 PolarHBondContact O-N 2.88Å | ||
| 325 | S | 34.8 | Very low | 45.3 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 79% | 0.79 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 40.8 | 168.7 | 61.7 | 0 | 0 | 0 | 0 | 112.9 | ||
| 326 | I | 43.4 | Very low | 43.7 | Very low | 150 Ų | 150 | 138.1 Ų | 138.1 | 77% | 0.769 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.3 | -8.9 | -180 | -67 | -178 | 0 | 0 | 0 | 112.1 | C324 | C324-I326 PolarHBondContact O-N 2.88Š|
| 327 | F | 35.1 | Very low | 42.5 | Very low | 196 Ų | 196 | 140.5 Ų | 140.5 | 86% | 0.86 | 75% | 0.746 | S | S | * | * | trans | -123.8 | 45.4 | 178.6 | -121.7 | -88.5 | 0 | 0 | 0 | 113.1 | ||||
| 328 | Q | 40.3 | Very low | 41.2 | Very low | 195 Ų | 195 | 145 Ų | 145 | 91% | 0.911 | 77% | 0.769 | S | S | * | * | trans | -109.1 | 71.7 | 163.1 | -160 | 170.1 | -7.4 | 0 | 0 | 107.7 | ||||
| 329 | Q | 36.5 | Very low | 40.2 | Very low | 158 Ų | 158 | 147.9 Ų | 147.9 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | trans | -120.3 | 113.2 | 162.7 | -154.7 | 160.5 | 3.4 | 0 | 0 | 109.1 | ||||
| 330 | E | 35.6 | Very low | 39.1 | Very low | 163 Ų | 163 | 144.5 Ų | 144.5 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | trans | 68 | 96.6 | 157.5 | -70.3 | 162.5 | -153.1 | 0 | 0 | 118.8 | ||||
| 331 | A | 34.6 | Very low | 38.3 | Very low | 87 Ų | 87 | 148 Ų | 148 | 72% | 0.719 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 141.2 | 146.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | E333 | A331-E333 PolarHBondContact O-N 2.88Š|
| 332 | P | 36.6 | Very low | 37.6 | Very low | 130 Ų | 130 | 149.1 Ų | 149.1 | 84% | 0.844 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 117.7 | 171.4 | 11.3 | -0.4 | 0 | 0 | 0 | 109 | R334 | P332-R334 PolarHBondContact O-N 3.23Š|
| 333 | E | 35.7 | Very low | 37.3 | Very low | 188 Ų | 188 | 146.5 Ų | 146.5 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 132.2 | 169.7 | -72.2 | -175.1 | 154.6 | 0 | 0 | 110.3 | A331 A335 | A331-E333 PolarHBondContact O-N 2.88Å; E333-A335 PolarHBondContact O-N 3.32Å; E333-A335 VanDerWaalsContact O-N 3.09Å |
| 334 | R | 42 | Very low | 36.6 | Very low | 247 Ų | 247 | 145 Ų | 145 | 93% | 0.932 | 80% | 0.799 | S | S | * | * | trans | -64.3 | 103.5 | 162.9 | -82.8 | 176.1 | 170.8 | 167.3 | -4 | 108.2 | P332 S336 | P332-R334 PolarHBondContact O-N 3.23Å; R334-S336 PolarHBondContact O-N 3.43Å | ||
| 335 | A | 33.7 | Very low | 36.4 | Very low | 105 Ų | 105 | 150.1 Ų | 150.1 | 87% | 0.868 | 82% | 0.815 | S | S | * | * | trans | -84.9 | 100.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | E333 | E333-A335 PolarHBondContact O-N 3.32Å; E333-A335 VanDerWaalsContact O-N 3.09Å | ||
| 336 | S | 38.1 | Very low | 36.3 | Very low | 104 Ų | 104 | 154.1 Ų | 154.1 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | trans | -81 | 144.9 | 159.2 | 49.5 | 0 | 0 | 0 | 0 | 110.5 | R334 | R334-S336 PolarHBondContact O-N 3.43Š| ||
| 337 | S | 41.7 | Very low | 36 | Very low | 111 Ų | 111 | 155.4 Ų | 155.4 | 78% | 0.776 | 83% | 0.825 | S | S | * | * | trans | 69 | 113.4 | 161.6 | 71.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 338 | V | 34.8 | Very low | 36 | Very low | 139 Ų | 139 | 154.4 Ų | 154.4 | 84% | 0.842 | 83% | 0.826 | S | S | * | * | -143.1 | 127.4 | 126.3 | 178.9 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 339 | Y | 35.3 | Very low | 35.7 | Very low | 212 Ų | 212 | 149.6 Ų | 149.6 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | trans | -76.3 | 131.7 | 172.5 | -159.9 | -93.7 | 0 | 0 | 0 | 109 | ||||
| 340 | T | 32.9 | Very low | 35.6 | Very low | 130 Ų | 130 | 149.1 Ų | 149.1 | 80% | 0.798 | 82% | 0.822 | S | S | * | * | trans | -135.7 | 116.4 | 162.7 | -36.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 341 | R | 36.9 | Very low | 35.6 | Very low | 218 Ų | 218 | 144.3 Ų | 144.3 | 82% | 0.823 | 82% | 0.816 | S | S | * | * | trans | -85.2 | 127.9 | 168.8 | -178.2 | -178.2 | -174.4 | 166 | 1.5 | 107.9 | ||||
| 342 | S | 32.1 | Very low | 35.6 | Very low | 112 Ų | 112 | 152.4 Ų | 152.4 | 78% | 0.783 | 85% | 0.846 | S | S | * | * | trans | -147.6 | 125.6 | 157.4 | -174 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 343 | T | 38.7 | Very low | 35.6 | Very low | 127 Ų | 127 | 153.6 Ų | 153.6 | 78% | 0.779 | 85% | 0.846 | S | S | * | * | trans | -68.1 | 151.7 | 173.4 | 35.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 344 | G | 30.8 | Very low | 35.6 | Very low | 79 Ų | 79 | 151.7 Ų | 151.7 | 81% | 0.814 | 84% | 0.844 | S | S | * | * | trans | 166.1 | 108.9 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 345 | E | 34.4 | Very low | 35.2 | Very low | 188 Ų | 188 | 146.4 Ų | 146.4 | 88% | 0.879 | 84% | 0.839 | S | S | * | * | trans | -61.9 | 152 | -175.9 | -63.7 | 152.5 | 135.4 | 0 | 0 | 114.3 | ||||
| 346 | Q | 33.4 | Very low | 35.3 | Very low | 198 Ų | 198 | 148.9 Ų | 148.9 | 93% | 0.925 | 84% | 0.838 | S | S | * | * | -163.3 | 125.4 | 128.3 | -110.5 | 167.4 | -6.8 | 0 | 0 | 111.4 | |||||
| 347 | E | 37 | Very low | 35.1 | Very low | 177 Ų | 177 | 151.7 Ų | 151.7 | 83% | 0.827 | 85% | 0.845 | S | S | * | * | trans | -55.3 | 154.3 | 169.5 | -61.4 | 173.6 | 136.3 | 0 | 0 | 112.1 | ||||
| 348 | I | 34.5 | Very low | 34.7 | Very low | 174 Ų | 174 | 154.4 Ų | 154.4 | 89% | 0.892 | 85% | 0.849 | S | S | * | * | -163 | 126.9 | 126.6 | -90.2 | 146.9 | 0 | 0 | 0 | 108.5 | |||||
| 349 | S | 34.4 | Very low | 34.7 | Very low | 94 Ų | 94 | 155.5 Ų | 155.5 | 66% | 0.657 | 85% | 0.85 | S | S | * | * | trans | -78.9 | 176 | -179.9 | -54.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 350 | V | 34.7 | Very low | 34.6 | Very low | 149 Ų | 149 | 151.2 Ų | 151.2 | 90% | 0.903 | 85% | 0.851 | S | S | * | * | trans | 93.1 | 125.9 | 159.7 | -163.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 351 | G | 35.6 | Very low | 34.8 | Very low | 62 Ų | 62 | 152.9 Ų | 152.9 | 64% | 0.639 | 86% | 0.856 | S | S | * | * | cis | 174.1 | 166.1 | 2.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 352 | L | 34.6 | Very low | 34.6 | Very low | 257 Ų | 257 | 147 Ų | 147 | 100% | 1.346 | 86% | 0.859 | S | S | * | * | trans | 55.1 | 0 | 169.1 | -85.4 | 107.6 | 0 | 0 | 0 | 119.9 |
Retrieved 352 of 352 residues in 486.9 ms
(Link to these results)