| 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 | 46.4 | Very low | 65.3 | Low | 234 Ų | 234 | 144.7 Ų | 144.7 | 100% | 1.153 | 76% | 0.758 | S | S | * | * | 0 | 104.1 | 0 | -94.6 | 168.4 | -172.2 | 0 | 0 | 107.3 | A3 | M1-A3 VanDerWaalsContact C-N 3.29Å; M1-A3 PolarHBondContact O-N 3.09Å | |||
| 2 | W | 56.6 | Low | 66.8 | Low | 258 Ų | 258 | 140.6 Ų | 140.6 | 98% | 0.977 | 74% | 0.737 | S | S | * | * | trans | -68 | 98.9 | 165.8 | -68 | 83.1 | 0 | 0 | 0 | 105.2 | G4 | W2-G4 PolarHBondContact O-N 3.29Š| ||
| 3 | A | 59.4 | Low | 68 | Low | 91 Ų | 91 | 137.5 Ų | 137.5 | 75% | 0.752 | 72% | 0.716 | S | S | * | * | trans | -54.3 | 116.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 105.3 | M1 Q5 | M1-A3 VanDerWaalsContact C-N 3.29Å; M1-A3 PolarHBondContact O-N 3.09Å; A3-Q5 PolarHBondContact O-N 2.98Å | ||
| 4 | G | 59.6 | Low | 69 | Low | 70 Ų | 70 | 132.5 Ų | 132.5 | 72% | 0.722 | 70% | 0.697 | S | S | * | * | trans | -57.5 | 95.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | W2 N6 | W2-G4 PolarHBondContact O-N 3.29Å; G4-N6 PolarHBondContact O-N 3.33Å | ||
| 5 | Q | 65.9 | Low | 70.2 | Confident | 172 Ų | 172 | 128.5 Ų | 128.5 | 80% | 0.804 | 68% | 0.68 | S | S | * | * | trans | -63 | 102.1 | 169.6 | -170.7 | 168.6 | -12.5 | 0 | 0 | 103 | A3 I7 | A3-Q5 PolarHBondContact O-N 2.98Å; Q5-I7 PolarHBondContact O-N 3.19Å | ||
| 6 | N | 61.4 | Low | 71.6 | Confident | 156 Ų | 156 | 126.4 Ų | 126.4 | 83% | 0.834 | 67% | 0.665 | S | S | * | * | trans | -56.8 | 94.2 | 167.6 | -81.4 | -41.3 | 0 | 0 | 0 | 104.8 | G4 N8 | G4-N6 PolarHBondContact O-N 3.33Å; N6-N8 VanDerWaalsContact C-N 3.27Å; N6-N8 PolarHBondContact O-N 3.28Å | ||
| 7 | I | 67.1 | Low | 72.8 | Confident | 143 Ų | 143 | 124.8 Ų | 124.8 | 73% | 0.733 | 66% | 0.657 | S | S | * | * | trans | -62.3 | 104.1 | 171.2 | -59.4 | 179.5 | 0 | 0 | 0 | 102.8 | Q5 Y9 | Q5-I7 PolarHBondContact O-N 3.19Å; I7-Y9 PolarHBondContact O-N 3.08Å | ||
| 8 | N | 71.3 | Confident | 73.9 | Confident | 147 Ų | 147 | 121.7 Ų | 121.7 | 79% | 0.786 | 64% | 0.641 | S | S | * | * | trans | -70 | 80.4 | 176 | -169.5 | -10.9 | 0 | 0 | 0 | 106.3 | N6 N10 | N6-N8 VanDerWaalsContact C-N 3.27Å; N6-N8 PolarHBondContact O-N 3.28Å; N8-N10 PolarHBondContact O-N 3.02Å | ||
| 9 | Y | 74.1 | Confident | 74.9 | Confident | 164 Ų | 164 | 121.2 Ų | 121.2 | 64% | 0.643 | 63% | 0.633 | S | S | * | * | trans | -63.8 | 106 | 179.8 | 173.2 | -100.6 | 0 | 0 | 0 | 107.6 | I7 P11 | I7-Y9 PolarHBondContact O-N 3.08Å; Y9-P11 HydrophobicContact CE1-CB 4.06Å; Y9-P11 WeakPolarHBondContact O-CD 3.47Å | ||
| 10 | N | 77.6 | Confident | 75.9 | Confident | 74 Ų | 74 | 116.9 Ų | 116.9 | 40% | 0.396 | 62% | 0.615 | S | S | . | * | trans | -93.5 | 112.4 | 173.2 | -177.1 | -5.9 | 0 | 0 | 0 | 107.6 | N8 N12 E13 | N8-N10 PolarHBondContact O-N 3.02Å; N10-N12 PolarHBondContact O-N 3.23Å; N10-N12 WeakPolarHBondContact OD1-CB 3.47Å; N10-N12 PolarHBondContact OD1-N 3.2Å; N10-N12 PolarHBondContact OD1-ND2 3.46Å; N10-E13 HydrophobicContact CB-CB 4.31Å; N10-E13 VanDerWaalsContact O-CB 3.23Å; N10-E13 WeakPolarHBondContact O-CB 3.29Å; N10-E13 PolarHBondContact O-N 2.83Å | ||
| 11 | P | 79.2 | Confident | 76.8 | Confident | 83 Ų | 83 | 115.6 Ų | 115.6 | 54% | 0.539 | 61% | 0.605 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.2 | -15.8 | 179.9 | 25.6 | -34.9 | 0 | 0 | 0 | 113.3 | Y9 | Y9-P11 HydrophobicContact CE1-CB 4.06Å; Y9-P11 WeakPolarHBondContact O-CD 3.47Å |
| 12 | N | 82.8 | Confident | 79.2 | Confident | 95 Ų | 95 | 106.6 Ų | 106.6 | 51% | 0.508 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.7 | -15.7 | 175.9 | -54.4 | -65.5 | 0 | 0 | 0 | 113.5 | N10 T15 E16 | N10-N12 PolarHBondContact O-N 3.23Å; N10-N12 WeakPolarHBondContact OD1-CB 3.47Å; N10-N12 PolarHBondContact OD1-N 3.2Å; N10-N12 PolarHBondContact OD1-ND2 3.46Å; N12-T15 WeakPolarHBondContact O-CA 3.44Å; N12-T15 WeakPolarHBondContact O-CB 3.2Å; N12-T15 PolarHBondContact O-N 3.09Å; N12-E16 PolarHBondContact O-N 3.35Å |
| 13 | E | 82.2 | Confident | 81.1 | Confident | 100 Ų | 100 | 101.7 Ų | 101.7 | 47% | 0.467 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -54.6 | -47.8 | -175.1 | -178.1 | 176 | -158.5 | 0 | 0 | 113 | N10 T15 E16 D17 | N10-E13 HydrophobicContact CB-CB 4.31Å; N10-E13 VanDerWaalsContact O-CB 3.23Å; N10-E13 WeakPolarHBondContact O-CB 3.29Å; N10-E13 PolarHBondContact O-N 2.83Å; E13-T15 PolarHBondContact O-N 2.95Å; E13-E16 PolarHBondContact O-N 3.48Å; E13-E16 VanDerWaalsContact O-N 3.11Å; E13-D17 PolarHBondContact O-N 3.2Å |
| 14 | P | 82 | Confident | 82.9 | Confident | 68 Ų | 68 | 104 Ų | 104 | 44% | 0.442 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61 | -31.8 | 177 | -22.8 | 34.3 | 0 | 0 | 0 | 113.3 | L18 | P14-L18 VanDerWaalsContact O-CG 3.32Å; P14-L18 WeakPolarHBondContact O-CG 3.29Å; P14-L18 PolarHBondContact O-N 3.16Å; P14-L18 VanDerWaalsContact O-N 3.14Å |
| 15 | T | 87.3 | Confident | 84.6 | Confident | 72 Ų | 72 | 101 Ų | 101 | 44% | 0.442 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -73.7 | -39.7 | 179 | -59.3 | 0 | 0 | 0 | 0 | 110.8 | N12 E13 L18 K19 | N12-T15 WeakPolarHBondContact O-CA 3.44Å; N12-T15 WeakPolarHBondContact O-CB 3.2Å; N12-T15 PolarHBondContact O-N 3.09Å; E13-T15 PolarHBondContact O-N 2.95Å; T15-L18 PolarHBondContact O-N 3Å; T15-K19 WeakPolarHBondContact O-CG 3.31Å; T15-K19 PolarHBondContact O-N 3.37Å |
| 16 | E | 92.3 | Very high | 86.1 | Confident | 96 Ų | 96 | 95.9 Ų | 95.9 | 45% | 0.449 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.6 | -37.4 | 175.7 | -67.6 | -51 | 127.2 | 0 | 0 | 112 | N12 E13 K19 A20 | N12-E16 PolarHBondContact O-N 3.35Å; E13-E16 PolarHBondContact O-N 3.48Å; E13-E16 VanDerWaalsContact O-N 3.11Å; E16-K19 PolarHBondContact O-N 2.98Å; E16-K19 IonicContact OE1-NZ 2.7Å; E16-K19 PolarHBondContact OE1-NZ 2.77Å; E16-A20 VanDerWaalsContact O-CB 3.31Å; E16-A20 WeakPolarHBondContact O-CB 3.24Å; E16-A20 PolarHBondContact O-N 2.98Å |
| 17 | D | 92.1 | Very high | 87.7 | Confident | 99 Ų | 99 | 93.6 Ų | 93.6 | 53% | 0.529 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 174.4 | -74.3 | -19.4 | 0 | 0 | 0 | 112.1 | E13 A20 F21 | E13-D17 PolarHBondContact O-N 3.2Å; D17-A20 PolarHBondContact O-N 2.8Å; D17-F21 WeakPolarHBondContact O-CB 3.43Å; D17-F21 PolarHBondContact O-N 2.9Å |
| 18 | L | 92.5 | Very high | 89.1 | Confident | 68 Ų | 68 | 90.8 Ų | 90.8 | 36% | 0.356 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 175.4 | -73.8 | 176.5 | 0 | 0 | 0 | 112 | P14 T15 A20 F21 E22 M116 L124 | P14-L18 VanDerWaalsContact O-CG 3.32Å; P14-L18 WeakPolarHBondContact O-CG 3.29Å; P14-L18 PolarHBondContact O-N 3.16Å; P14-L18 VanDerWaalsContact O-N 3.14Å; T15-L18 PolarHBondContact O-N 3Å; L18-A20 VanDerWaalsContact C-N 3.33Å; L18-F21 PolarHBondContact O-N 3.36Å; L18-E22 WeakPolarHBondContact O-CB 3.32Å; L18-E22 PolarHBondContact O-N 3.26Å; L18-M116 HydrophobicContact CD1-CE 4.19Å; L18-M116 HydrophobicContact CD1-SD 4.29Å; L18-M116 HydrophobicContact CD2-CE 3.72Å; L18-M116 HydrophobicContact CD2-SD 3.84Å; L18-L124 HydrophobicContact CB-CD1 4.3Å; L18-L124 HydrophobicContact CD2-CD1 4.3Å; L18-L124 WeakPolarHBondContact O-CD1 3.25Å |
| 19 | K | 93.8 | Very high | 90.2 | Very high | 112 Ų | 112 | 84.2 Ų | 84.2 | 49% | 0.487 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 173.7 | -74 | 172 | -174.3 | 167 | 0 | 111.4 | T15 E16 E22 R23 | T15-K19 WeakPolarHBondContact O-CG 3.31Å; T15-K19 PolarHBondContact O-N 3.37Å; E16-K19 PolarHBondContact O-N 2.98Å; E16-K19 IonicContact OE1-NZ 2.7Å; E16-K19 PolarHBondContact OE1-NZ 2.77Å; K19-E22 PolarHBondContact O-N 3.2Å; K19-R23 WeakPolarHBondContact O-CB 3.48Å; K19-R23 PolarHBondContact O-N 3.25Å |
| 20 | A | 95.3 | Very high | 91.1 | Very high | 35 Ų | 35 | 80.9 Ų | 80.9 | 29% | 0.289 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | E16 D17 L18 R23 R24 | E16-A20 VanDerWaalsContact O-CB 3.31Å; E16-A20 WeakPolarHBondContact O-CB 3.24Å; E16-A20 PolarHBondContact O-N 2.98Å; D17-A20 PolarHBondContact O-N 2.8Å; L18-A20 VanDerWaalsContact C-N 3.33Å; A20-R23 PolarHBondContact O-N 2.9Å; A20-R24 WeakPolarHBondContact O-CG 3.5Å; A20-R24 PolarHBondContact O-N 3.3Å |
| 21 | F | 94.6 | Very high | 91.9 | Very high | 90 Ų | 90 | 80.1 Ų | 80.1 | 40% | 0.395 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.5 | -48.9 | 174.3 | 179.1 | -96.8 | 0 | 0 | 0 | 111.9 | D17 L18 R23 R24 L25 L111 L124 | D17-F21 WeakPolarHBondContact O-CB 3.43Å; D17-F21 PolarHBondContact O-N 2.9Å; L18-F21 PolarHBondContact O-N 3.36Å; F21-R23 VanDerWaalsContact C-N 3.3Å; F21-R23 PolarHBondContact O-N 3.02Å; F21-R24 PolarHBondContact O-N 2.89Å; F21-L25 HydrophobicContact CE1-CD2 4.04Å; F21-L25 HydrophobicContact CZ-CD2 4.42Å; F21-L25 WeakPolarHBondContact O-CB 3.45Å; F21-L25 PolarHBondContact O-N 2.94Å; F21-L111 HydrophobicContact CE1-CD1 4.3Å; F21-L111 HydrophobicContact CE1-CD2 4.09Å; F21-L111 HydrophobicContact CE1-CG 4.5Å; F21-L124 HydrophobicContact CD1-CD1 4.09Å; F21-L124 HydrophobicContact CD1-CD2 3.98Å; F21-L124 HydrophobicContact CD1-CG 4.47Å; F21-L124 HydrophobicContact CE1-CD2 3.94Å |
| 22 | E | 96 | Very high | 92.6 | Very high | 46 Ų | 46 | 78.1 Ų | 78.1 | 22% | 0.215 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -55.2 | -48.3 | 176.1 | -176.5 | 175.6 | 159.7 | 0 | 0 | 110.8 | L18 K19 R24 L25 R26 L124 | L18-E22 WeakPolarHBondContact O-CB 3.32Å; L18-E22 PolarHBondContact O-N 3.26Å; K19-E22 PolarHBondContact O-N 3.2Å; E22-R24 VanDerWaalsContact C-N 3.34Å; E22-R24 PolarHBondContact O-N 3.44Å; E22-L25 PolarHBondContact O-N 3.15Å; E22-R26 HydrophobicContact CG-CG 4.3Å; E22-R26 WeakPolarHBondContact O-CB 3.43Å; E22-R26 VanDerWaalsContact O-CG 3.26Å; E22-R26 WeakPolarHBondContact O-CG 3.34Å; E22-R26 PolarHBondContact O-N 3.42Å; E22-R26 IonicContact OE1-CZ 2.73Å; E22-R26 VanDerWaalsContact OE1-CZ 3.23Å; E22-R26 IonicContact OE1-NE 3.23Å; E22-R26 PolarHBondContact OE1-NE 3.39Å; E22-R26 IonicContact OE1-NH2 3.7Å; E22-R26 PolarHBondContact OE1-NH2 3.34Å; E22-L124 HydrophobicContact CB-CD1 3.79Å; E22-L124 HydrophobicContact CB-CG 3.83Å; E22-L124 HydrophobicContact CG-CG 4.14Å |
| 23 | R | 96.9 | Very high | 93 | Very high | 155 Ų | 155 | 75 Ų | 75 | 59% | 0.585 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -57.9 | -46.1 | 179.3 | -178.3 | 178.8 | 62.9 | -173 | -3.8 | 111.5 | K19 A20 F21 R26 E27 | K19-R23 WeakPolarHBondContact O-CB 3.48Å; K19-R23 PolarHBondContact O-N 3.25Å; A20-R23 PolarHBondContact O-N 2.9Å; F21-R23 VanDerWaalsContact C-N 3.3Å; F21-R23 PolarHBondContact O-N 3.02Å; R23-R26 PolarHBondContact O-N 2.68Å; R23-E27 WeakPolarHBondContact O-CB 3.35Å; R23-E27 PolarHBondContact O-N 3.1Å |
| 24 | R | 96.7 | Very high | 93.5 | Very high | 139 Ų | 139 | 74.1 Ų | 74.1 | 53% | 0.525 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.1 | -41 | 178.8 | -69.3 | -59.1 | -176.5 | -169.9 | 3.3 | 112.2 | A20 F21 E22 R26 E27 I28 | A20-R24 WeakPolarHBondContact O-CG 3.5Å; A20-R24 PolarHBondContact O-N 3.3Å; F21-R24 PolarHBondContact O-N 2.89Å; E22-R24 VanDerWaalsContact C-N 3.34Å; E22-R24 PolarHBondContact O-N 3.44Å; R24-R26 VanDerWaalsContact C-N 3.35Å; R24-R26 PolarHBondContact O-N 3.42Å; R24-E27 WeakPolarHBondContact CD-OE2 3.29Å; R24-E27 IonicContact CZ-OE2 3.51Å; R24-E27 IonicContact NH1-OE1 3.75Å; R24-E27 IonicContact NH1-OE2 3.09Å; R24-E27 PolarHBondContact NH1-OE2 2.76Å; R24-E27 PolarHBondContact O-N 3.31Å; R24-I28 VanDerWaalsContact O-CG1 3.3Å; R24-I28 WeakPolarHBondContact O-CG1 3.49Å; R24-I28 PolarHBondContact O-N 2.93Å |
| 25 | L | 96 | Very high | 94 | Very high | 8 Ų | 8 | 76.6 Ų | 76.6 | 4% | 0.042 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 177.1 | -176.9 | 57.7 | 0 | 0 | 0 | 111.4 | F21 E22 I28 I29 I103 S107 C118 | F21-L25 HydrophobicContact CE1-CD2 4.04Å; F21-L25 HydrophobicContact CZ-CD2 4.42Å; F21-L25 WeakPolarHBondContact O-CB 3.45Å; F21-L25 PolarHBondContact O-N 2.94Å; E22-L25 PolarHBondContact O-N 3.15Å; L25-I28 PolarHBondContact O-N 3.35Å; L25-I29 HydrophobicContact CD1-CD1 3.89Å; L25-I29 HydrophobicContact CD1-CG1 4.37Å; L25-I29 HydrophobicContact CG-CD1 3.95Å; L25-I29 WeakPolarHBondContact O-CB 3.24Å; L25-I29 WeakPolarHBondContact O-CG1 3.49Å; L25-I29 PolarHBondContact O-N 2.9Å; L25-I103 HydrophobicContact CD1-CG2 4.09Å; L25-S107 WeakPolarHBondContact CD1-OG 3.17Å; L25-C118 HydrophobicContact CD2-CB 4.05Å |
| 26 | R | 96.3 | Very high | 94.3 | Very high | 63 Ų | 63 | 73.3 Ų | 73.3 | 24% | 0.238 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.9 | -45 | 174.2 | -72.9 | 179.1 | 175.3 | -76.5 | 12.6 | 112.4 | E22 R23 R24 I28 I29 N30 S121 K123 | E22-R26 HydrophobicContact CG-CG 4.3Å; E22-R26 WeakPolarHBondContact O-CB 3.43Å; E22-R26 VanDerWaalsContact O-CG 3.26Å; E22-R26 WeakPolarHBondContact O-CG 3.34Å; E22-R26 PolarHBondContact O-N 3.42Å; E22-R26 IonicContact OE1-CZ 2.73Å; E22-R26 VanDerWaalsContact OE1-CZ 3.23Å; E22-R26 IonicContact OE1-NE 3.23Å; E22-R26 PolarHBondContact OE1-NE 3.39Å; E22-R26 IonicContact OE1-NH2 3.7Å; E22-R26 PolarHBondContact OE1-NH2 3.34Å; R23-R26 PolarHBondContact O-N 2.68Å; R24-R26 VanDerWaalsContact C-N 3.35Å; R24-R26 PolarHBondContact O-N 3.42Å; R26-I28 VanDerWaalsContact C-N 3.31Å; R26-I28 PolarHBondContact O-N 3.37Å; R26-I29 PolarHBondContact O-N 3.23Å; R26-N30 WeakPolarHBondContact O-CB 3.49Å; R26-N30 PolarHBondContact O-N 3.32Å; R26-N30 PolarHBondContact O-ND2 3.43Å; R26-S121 WeakPolarHBondContact CG-O 3.48Å; R26-S121 PolarHBondContact NH1-OG 3.49Å; R26-K123 VanDerWaalsContact NH2-CD 3.35Å |
| 27 | E | 96.5 | Very high | 94.5 | Very high | 108 Ų | 108 | 74.8 Ų | 74.8 | 51% | 0.505 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -56.6 | -46.7 | 177.5 | -176.7 | -177.5 | 178.2 | 0 | 0 | 111 | R23 R24 G31 | R23-E27 WeakPolarHBondContact O-CB 3.35Å; R23-E27 PolarHBondContact O-N 3.1Å; R24-E27 WeakPolarHBondContact CD-OE2 3.29Å; R24-E27 IonicContact CZ-OE2 3.51Å; R24-E27 IonicContact NH1-OE1 3.75Å; R24-E27 IonicContact NH1-OE2 3.09Å; R24-E27 PolarHBondContact NH1-OE2 2.76Å; R24-E27 PolarHBondContact O-N 3.31Å; E27-G31 PolarHBondContact O-N 3.17Å |
| 28 | I | 95.8 | Very high | 94.7 | Very high | 84 Ų | 84 | 77 Ų | 77 | 43% | 0.431 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.7 | -51 | 177.5 | -66.4 | 167.1 | 0 | 0 | 0 | 110.7 | R24 L25 R26 G31 L32 I103 | R24-I28 VanDerWaalsContact O-CG1 3.3Å; R24-I28 WeakPolarHBondContact O-CG1 3.49Å; R24-I28 PolarHBondContact O-N 2.93Å; L25-I28 PolarHBondContact O-N 3.35Å; R26-I28 VanDerWaalsContact C-N 3.31Å; R26-I28 PolarHBondContact O-N 3.37Å; I28-G31 PolarHBondContact O-N 3.42Å; I28-L32 HydrophobicContact CG2-CD1 3.95Å; I28-L32 VanDerWaalsContact O-CG 3.23Å; I28-L32 WeakPolarHBondContact O-CG 3.45Å; I28-L32 PolarHBondContact O-N 3.08Å; I28-I103 HydrophobicContact CG2-CD1 3.84Å; I28-I103 HydrophobicContact CG2-CG2 4.32Å |
| 29 | I | 94.6 | Very high | 94.9 | Very high | 9 Ų | 9 | 76.5 Ų | 76.5 | 5% | 0.046 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.7 | -45.2 | -177.2 | -71.3 | 171.7 | 0 | 0 | 0 | 111.1 | L25 R26 G31 L32 G33 A104 N120 | L25-I29 HydrophobicContact CD1-CD1 3.89Å; L25-I29 HydrophobicContact CD1-CG1 4.37Å; L25-I29 HydrophobicContact CG-CD1 3.95Å; L25-I29 WeakPolarHBondContact O-CB 3.24Å; L25-I29 WeakPolarHBondContact O-CG1 3.49Å; L25-I29 PolarHBondContact O-N 2.9Å; R26-I29 PolarHBondContact O-N 3.23Å; I29-G31 VanDerWaalsContact C-N 3.34Å; I29-G31 PolarHBondContact O-N 3.32Å; I29-L32 PolarHBondContact O-N 2.87Å; I29-G33 PolarHBondContact O-N 3.45Å; I29-A104 HydrophobicContact CD1-CB 4.04Å; I29-N120 WeakPolarHBondContact CG2-O 3.49Å |
| 30 | N | 92.7 | Very high | 95 | Very high | 95 Ų | 95 | 76.9 Ų | 76.9 | 51% | 0.508 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.8 | -35.6 | 178.8 | -70 | -19.7 | 0 | 0 | 0 | 111.7 | R26 L32 P34 | R26-N30 WeakPolarHBondContact O-CB 3.49Å; R26-N30 PolarHBondContact O-N 3.32Å; R26-N30 PolarHBondContact O-ND2 3.43Å; N30-L32 VanDerWaalsContact C-N 3.31Å; N30-L32 PolarHBondContact O-N 3.46Å; N30-P34 WeakPolarHBondContact O-CD 3.36Å |
| 31 | G | 94.1 | Very high | 95.1 | Very high | 57 Ų | 57 | 79.1 Ų | 79.1 | 59% | 0.588 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -65.5 | -34.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E27 I28 I29 | E27-G31 PolarHBondContact O-N 3.17Å; I28-G31 PolarHBondContact O-N 3.42Å; I29-G31 VanDerWaalsContact C-N 3.34Å; I29-G31 PolarHBondContact O-N 3.32Å |
| 32 | L | 94 | Very high | 95.2 | Very high | 41 Ų | 41 | 77.8 Ų | 77.8 | 22% | 0.215 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -85 | -27.3 | -180 | -65.5 | 173.4 | 0 | 0 | 0 | 113.6 | I28 I29 N30 K35 A36 L99 P100 I103 | I28-L32 HydrophobicContact CG2-CD1 3.95Å; I28-L32 VanDerWaalsContact O-CG 3.23Å; I28-L32 WeakPolarHBondContact O-CG 3.45Å; I28-L32 PolarHBondContact O-N 3.08Å; I29-L32 PolarHBondContact O-N 2.87Å; N30-L32 VanDerWaalsContact C-N 3.31Å; N30-L32 PolarHBondContact O-N 3.46Å; L32-K35 PolarHBondContact O-N 3.28Å; L32-A36 WeakPolarHBondContact O-CB 3.43Å; L32-A36 PolarHBondContact O-N 2.96Å; L32-L99 HydrophobicContact CD1-CD2 4.03Å; L32-L99 HydrophobicContact CD1-CG 4.03Å; L32-L99 HydrophobicContact CD2-CD2 3.87Å; L32-P100 HydrophobicContact CB-CB 4.46Å; L32-P100 HydrophobicContact CB-CG 3.93Å; L32-I103 HydrophobicContact CD1-CD1 3.39Å |
| 33 | G | 91.6 | Very high | 95.3 | Very high | 30 Ų | 30 | 76.7 Ų | 76.7 | 31% | 0.309 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -52.6 | -57.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | I29 K35 A36 F37 | I29-G33 PolarHBondContact O-N 3.45Å; G33-K35 VanDerWaalsContact C-N 3.28Å; G33-K35 PolarHBondContact O-N 3.4Å; G33-A36 PolarHBondContact O-N 3.24Å; G33-F37 WeakPolarHBondContact O-CB 3.4Å; G33-F37 PolarHBondContact O-N 2.93Å |
| 34 | P | 92.4 | Very high | 95.3 | Very high | 81 Ų | 81 | 72.6 Ų | 72.6 | 53% | 0.526 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59 | -38.3 | -179.6 | -26.3 | 34.6 | 0 | 0 | 0 | 113 | N30 F37 K38 | N30-P34 WeakPolarHBondContact O-CD 3.36Å; P34-F37 PolarHBondContact O-N 3.44Å; P34-K38 WeakPolarHBondContact O-CG 3.36Å; P34-K38 PolarHBondContact O-N 3.49Å; P34-K38 VanDerWaalsContact O-N 3.07Å |
| 35 | K | 92.8 | Very high | 95.4 | Very high | 121 Ų | 121 | 69.5 Ų | 69.5 | 53% | 0.526 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.6 | -48.5 | 176.7 | -173 | 174.7 | -177.8 | 176.4 | 0 | 110.6 | L32 G33 F37 K38 W39 | L32-K35 PolarHBondContact O-N 3.28Å; G33-K35 VanDerWaalsContact C-N 3.28Å; G33-K35 PolarHBondContact O-N 3.4Å; K35-F37 VanDerWaalsContact C-N 3.29Å; K35-F37 PolarHBondContact O-N 3.41Å; K35-K38 PolarHBondContact O-N 2.86Å; K35-W39 PolarHBondContact O-N 3.27Å; K35-W39 VanDerWaalsContact O-N 3.08Å |
| 36 | A | 94.5 | Very high | 95.4 | Very high | 2 Ų | 2 | 69.4 Ų | 69.4 | 2% | 0.017 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.1 | -40.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L32 G33 W39 R40 P100 | L32-A36 WeakPolarHBondContact O-CB 3.43Å; L32-A36 PolarHBondContact O-N 2.96Å; G33-A36 PolarHBondContact O-N 3.24Å; A36-W39 PolarHBondContact O-N 2.98Å; A36-R40 WeakPolarHBondContact O-CG 3.29Å; A36-R40 PolarHBondContact O-N 3.43Å; A36-P100 HydrophobicContact CB-CG 3.56Å |
| 37 | F | 95.1 | Very high | 95.5 | Very high | 128 Ų | 128 | 69.2 Ų | 69.2 | 56% | 0.561 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -61.1 | -46.9 | 176.3 | -176.8 | -106.2 | 0 | 0 | 0 | 112.4 | G33 P34 K35 W39 R40 I41 | G33-F37 WeakPolarHBondContact O-CB 3.4Å; G33-F37 PolarHBondContact O-N 2.93Å; P34-F37 PolarHBondContact O-N 3.44Å; K35-F37 VanDerWaalsContact C-N 3.29Å; K35-F37 PolarHBondContact O-N 3.41Å; F37-W39 VanDerWaalsContact C-N 3.32Å; F37-W39 PolarHBondContact O-N 3.47Å; F37-R40 WeakPolarHBondContact O-CB 3.36Å; F37-R40 PolarHBondContact O-N 2.86Å; F37-R40 VanDerWaalsContact O-N 3.13Å; F37-I41 HydrophobicContact CD1-CD1 3.82Å; F37-I41 HydrophobicContact CE1-CD1 3.35Å; F37-I41 HydrophobicContact CE1-CG1 4.32Å; F37-I41 HydrophobicContact CE2-CD1 4.5Å; F37-I41 HydrophobicContact CZ-CD1 3.74Å; F37-I41 HydrophobicContact CZ-CG1 4.34Å; F37-I41 PolarHBondContact O-N 3.3Å |
| 38 | K | 95.8 | Very high | 95.6 | Very high | 145 Ų | 145 | 69.2 Ų | 69.2 | 63% | 0.63 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -57.1 | -45.4 | 174.4 | -71.8 | 178.8 | -177.8 | -173.9 | 0 | 111.9 | P34 K35 R40 I41 V42 | P34-K38 WeakPolarHBondContact O-CG 3.36Å; P34-K38 PolarHBondContact O-N 3.49Å; P34-K38 VanDerWaalsContact O-N 3.07Å; K35-K38 PolarHBondContact O-N 2.86Å; K38-R40 VanDerWaalsContact C-N 3.32Å; K38-R40 PolarHBondContact O-N 3.05Å; K38-I41 PolarHBondContact O-N 3.18Å; K38-V42 WeakPolarHBondContact O-CG2 3.34Å; K38-V42 PolarHBondContact O-N 2.96Å |
| 39 | W | 96.9 | Very high | 95.7 | Very high | 57 Ų | 57 | 69.5 Ų | 69.5 | 22% | 0.216 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.7 | -31.4 | 177.9 | -78.8 | 101.9 | 0 | 0 | 0 | 113.2 | K35 A36 F37 L43 L88 A93 K96 V97 | K35-W39 PolarHBondContact O-N 3.27Å; K35-W39 VanDerWaalsContact O-N 3.08Å; A36-W39 PolarHBondContact O-N 2.98Å; F37-W39 VanDerWaalsContact C-N 3.32Å; F37-W39 PolarHBondContact O-N 3.47Å; W39-L43 WeakPolarHBondContact O-CB 3.41Å; W39-L43 WeakPolarHBondContact O-CG 3.17Å; W39-L43 PolarHBondContact O-N 2.86Å; W39-L88 HydrophobicContact CZ3-CD2 3.96Å; W39-A93 HydrophobicContact CE3-CB 3.52Å; W39-A93 HydrophobicContact CZ3-CB 3.62Å; W39-K96 HydrophobicContact CB-CB 4.41Å; W39-K96 HydrophobicContact CD2-CB 4.28Å; W39-K96 HydrophobicContact CD2-CD 3.83Å; W39-K96 HydrophobicContact CE3-CD 4.49Å; W39-K96 HydrophobicContact CG-CB 3.9Å; W39-K96 HydrophobicContact CG-CD 4.23Å; W39-K96 HydrophobicContact CH2-CD 4.27Å; W39-K96 HydrophobicContact CZ2-CD 3.59Å; W39-K96 VanDerWaalsContact CZ2-NZ 3.27Å; W39-V97 VanDerWaalsContact C-CG1 3.41Å; W39-V97 HydrophobicContact CB-CG1 3.38Å |
| 40 | R | 97 | Very high | 95.8 | Very high | 121 Ų | 121 | 70.8 Ų | 70.8 | 46% | 0.457 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.8 | -46.7 | 172.6 | -72.8 | 172.1 | -169.3 | 174 | 2.8 | 110.7 | A36 F37 K38 V42 L43 S44 V97 | A36-R40 WeakPolarHBondContact O-CG 3.29Å; A36-R40 PolarHBondContact O-N 3.43Å; F37-R40 WeakPolarHBondContact O-CB 3.36Å; F37-R40 PolarHBondContact O-N 2.86Å; F37-R40 VanDerWaalsContact O-N 3.13Å; K38-R40 VanDerWaalsContact C-N 3.32Å; K38-R40 PolarHBondContact O-N 3.05Å; R40-V42 PolarHBondContact O-N 3.26Å; R40-L43 PolarHBondContact O-N 3.26Å; R40-S44 WeakPolarHBondContact O-CB 3.37Å; R40-S44 PolarHBondContact O-N 3.47Å; R40-S44 PolarHBondContact O-OG 3.34Å; R40-V97 HydrophobicContact CB-CG1 4.37Å; R40-V97 HydrophobicContact CG-CB 3.89Å; R40-V97 HydrophobicContact CG-CG1 3.67Å; R40-V97 PolarHBondContact NH2-O 2.97Å |
| 41 | I | 97.7 | Very high | 96.1 | Very high | 82 Ų | 82 | 71.1 Ų | 71.1 | 42% | 0.421 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.1 | -49.4 | 176.8 | -65.2 | 165.7 | 0 | 0 | 0 | 110.7 | F37 K38 L43 S44 V45 | F37-I41 HydrophobicContact CD1-CD1 3.82Å; F37-I41 HydrophobicContact CE1-CD1 3.35Å; F37-I41 HydrophobicContact CE1-CG1 4.32Å; F37-I41 HydrophobicContact CE2-CD1 4.5Å; F37-I41 HydrophobicContact CZ-CD1 3.74Å; F37-I41 HydrophobicContact CZ-CG1 4.34Å; F37-I41 PolarHBondContact O-N 3.3Å; K38-I41 PolarHBondContact O-N 3.18Å; I41-L43 PolarHBondContact O-N 2.89Å; I41-S44 PolarHBondContact O-N 2.95Å; I41-V45 HydrophobicContact CG2-CG2 4.26Å; I41-V45 WeakPolarHBondContact O-CG2 3.47Å; I41-V45 PolarHBondContact O-N 2.84Å |
| 42 | V | 96.9 | Very high | 96.2 | Very high | 62 Ų | 62 | 72.2 Ų | 72.2 | 38% | 0.376 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -57.8 | -47.2 | 179.5 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | K38 R40 V45 A46 L88 | K38-V42 WeakPolarHBondContact O-CG2 3.34Å; K38-V42 PolarHBondContact O-N 2.96Å; R40-V42 PolarHBondContact O-N 3.26Å; V42-V45 PolarHBondContact O-N 3.44Å; V42-A46 WeakPolarHBondContact O-CB 3.4Å; V42-A46 PolarHBondContact O-N 3.37Å; V42-L88 HydrophobicContact CG1-CD1 4.24Å; V42-L88 HydrophobicContact CG1-CD2 4.02Å |
| 43 | L | 96.8 | Very high | 96.3 | Very high | 22 Ų | 22 | 71 Ų | 71 | 12% | 0.115 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.9 | -42.9 | 177.5 | -77.4 | 176.2 | 0 | 0 | 0 | 112.1 | W39 R40 I41 V45 A46 V47 L88 A93 V97 | W39-L43 WeakPolarHBondContact O-CB 3.41Å; W39-L43 WeakPolarHBondContact O-CG 3.17Å; W39-L43 PolarHBondContact O-N 2.86Å; R40-L43 PolarHBondContact O-N 3.26Å; I41-L43 PolarHBondContact O-N 2.89Å; L43-V45 PolarHBondContact O-N 2.96Å; L43-A46 PolarHBondContact O-N 2.94Å; L43-V47 WeakPolarHBondContact O-CB 3.35Å; L43-V47 VanDerWaalsContact O-CG2 3.26Å; L43-V47 WeakPolarHBondContact O-CG2 3.31Å; L43-V47 PolarHBondContact O-N 3.49Å; L43-L88 HydrophobicContact CD2-CB 4.16Å; L43-L88 HydrophobicContact CD2-CD1 4.27Å; L43-A93 HydrophobicContact CD1-CB 4.05Å; L43-A93 HydrophobicContact CD2-CB 3.82Å; L43-A93 HydrophobicContact CG-CB 4.05Å; L43-V97 HydrophobicContact CD1-CG1 3.88Å; L43-V97 HydrophobicContact CD1-CG2 4.02Å |
| 44 | S | 97.3 | Very high | 96.5 | Very high | 69 Ų | 69 | 71 Ų | 71 | 48% | 0.483 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.3 | -46.4 | 177.4 | -68.1 | 0 | 0 | 0 | 0 | 111.6 | R40 I41 V47 L48 | R40-S44 WeakPolarHBondContact O-CB 3.37Å; R40-S44 PolarHBondContact O-N 3.47Å; R40-S44 PolarHBondContact O-OG 3.34Å; I41-S44 PolarHBondContact O-N 2.95Å; S44-V47 PolarHBondContact O-N 2.86Å; S44-L48 VanDerWaalsContact O-CG 3.29Å; S44-L48 WeakPolarHBondContact O-CG 3.49Å; S44-L48 PolarHBondContact O-N 2.92Å |
| 45 | V | 97.8 | Very high | 96.7 | Very high | 75 Ų | 75 | 74.6 Ų | 74.6 | 46% | 0.455 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.3 | -45 | 177 | 173 | 0 | 0 | 0 | 0 | 111 | I41 V42 L43 V47 L48 I49 | I41-V45 HydrophobicContact CG2-CG2 4.26Å; I41-V45 WeakPolarHBondContact O-CG2 3.47Å; I41-V45 PolarHBondContact O-N 2.84Å; V42-V45 PolarHBondContact O-N 3.44Å; L43-V45 PolarHBondContact O-N 2.96Å; V45-V47 VanDerWaalsContact C-N 3.33Å; V45-V47 PolarHBondContact O-N 3.07Å; V45-L48 PolarHBondContact O-N 3.25Å; V45-I49 HydrophobicContact CG1-CD1 3.86Å; V45-I49 HydrophobicContact CG1-CG1 4.46Å; V45-I49 WeakPolarHBondContact O-CG1 3.22Å; V45-I49 PolarHBondContact O-N 3.3Å |
| 46 | A | 97.5 | Very high | 96.8 | Very high | 5 Ų | 5 | 72 Ų | 72 | 4% | 0.041 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.5 | -41.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | V42 L43 H50 F84 L85 L88 | V42-A46 WeakPolarHBondContact O-CB 3.4Å; V42-A46 PolarHBondContact O-N 3.37Å; L43-A46 PolarHBondContact O-N 2.94Å; A46-H50 WeakPolarHBondContact O-CB 3.34Å; A46-H50 PolarHBondContact O-N 3.47Å; A46-F84 HydrophobicContact CB-CD1 4.15Å; A46-F84 HydrophobicContact CB-CE1 3.89Å; A46-L85 HydrophobicContact CB-CD1 4.15Å; A46-L88 HydrophobicContact CB-CD1 3.57Å |
| 47 | V | 98 | Very high | 96.7 | Very high | 59 Ų | 59 | 73.4 Ų | 73.4 | 36% | 0.358 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.1 | -42.2 | 176.6 | 169.9 | 0 | 0 | 0 | 0 | 111.1 | L43 S44 V45 H50 L51 L85 | L43-V47 WeakPolarHBondContact O-CB 3.35Å; L43-V47 VanDerWaalsContact O-CG2 3.26Å; L43-V47 WeakPolarHBondContact O-CG2 3.31Å; L43-V47 PolarHBondContact O-N 3.49Å; S44-V47 PolarHBondContact O-N 2.86Å; V45-V47 VanDerWaalsContact C-N 3.33Å; V45-V47 PolarHBondContact O-N 3.07Å; V47-H50 PolarHBondContact O-N 3.38Å; V47-L51 HydrophobicContact CG1-CD1 4.02Å; V47-L51 HydrophobicContact CG1-CG 4.3Å; V47-L51 WeakPolarHBondContact O-CB 3.12Å; V47-L51 VanDerWaalsContact O-CG 3.32Å; V47-L51 WeakPolarHBondContact O-CG 3.19Å; V47-L51 PolarHBondContact O-N 3.39Å; V47-L85 HydrophobicContact CG2-CD1 4.01Å |
| 48 | L | 98.2 | Very high | 96.6 | Very high | 109 Ų | 109 | 71.4 Ų | 71.4 | 57% | 0.571 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -62.4 | -45 | 177.1 | -72.1 | 173.3 | 0 | 0 | 0 | 111.8 | S44 V45 H50 L51 C52 | S44-L48 VanDerWaalsContact O-CG 3.29Å; S44-L48 WeakPolarHBondContact O-CG 3.49Å; S44-L48 PolarHBondContact O-N 2.92Å; V45-L48 PolarHBondContact O-N 3.25Å; L48-H50 VanDerWaalsContact C-N 3.31Å; L48-H50 PolarHBondContact O-N 3.2Å; L48-L51 PolarHBondContact O-N 2.98Å; L48-C52 PolarHBondContact O-N 3.42Å; L48-C52 PolarHBondContact O-SG 2.9Å; L48-C52 VanDerWaalsContact O-SG 3.37Å |
| 49 | I | 97.4 | Very high | 96.5 | Very high | 90 Ų | 90 | 68.3 Ų | 68.3 | 46% | 0.462 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.1 | -47.6 | 174.6 | -68.3 | 167.6 | 0 | 0 | 0 | 109.9 | V45 L51 C52 S53 | V45-I49 HydrophobicContact CG1-CD1 3.86Å; V45-I49 HydrophobicContact CG1-CG1 4.46Å; V45-I49 WeakPolarHBondContact O-CG1 3.22Å; V45-I49 PolarHBondContact O-N 3.3Å; I49-L51 PolarHBondContact O-N 2.95Å; I49-C52 PolarHBondContact O-N 3.11Å; I49-S53 WeakPolarHBondContact O-CB 3.44Å; I49-S53 PolarHBondContact O-N 3.41Å; I49-S53 PolarHBondContact O-OG 3.29Å |
| 50 | H | 97.8 | Very high | 96.3 | Very high | 35 Ų | 35 | 68 Ų | 68 | 16% | 0.162 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.4 | -42 | 179.5 | -175.9 | 59.8 | 0 | 0 | 0 | 112.8 | A46 V47 L48 S53 S54 F78 S81 L85 | A46-H50 WeakPolarHBondContact O-CB 3.34Å; A46-H50 PolarHBondContact O-N 3.47Å; V47-H50 PolarHBondContact O-N 3.38Å; L48-H50 VanDerWaalsContact C-N 3.31Å; L48-H50 PolarHBondContact O-N 3.2Å; H50-S53 PolarHBondContact O-N 2.98Å; H50-S54 WeakPolarHBondContact O-CB 3.34Å; H50-S54 PolarHBondContact O-N 3.48Å; H50-F78 AromaticContact CE1-CE2 3.36Å; H50-F78 WeakPolarHBondContact CE1-CE2 3.06Å; H50-S81 PolarHBondContact ND1-OG 3.49Å; H50-L85 HydrophobicContact CB-CD2 4.39Å |
| 51 | L | 98.1 | Very high | 95.9 | Very high | 102 Ų | 102 | 66.4 Ų | 66.4 | 53% | 0.534 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.6 | -43.6 | 176 | -72.9 | 174.3 | 0 | 0 | 0 | 111.7 | V47 L48 I49 S54 Y55 | V47-L51 HydrophobicContact CG1-CD1 4.02Å; V47-L51 HydrophobicContact CG1-CG 4.3Å; V47-L51 WeakPolarHBondContact O-CB 3.12Å; V47-L51 VanDerWaalsContact O-CG 3.32Å; V47-L51 WeakPolarHBondContact O-CG 3.19Å; V47-L51 PolarHBondContact O-N 3.39Å; L48-L51 PolarHBondContact O-N 2.98Å; I49-L51 PolarHBondContact O-N 2.95Å; L51-S54 PolarHBondContact O-N 3.39Å; L51-Y55 WeakPolarHBondContact O-CB 3.26Å; L51-Y55 PolarHBondContact O-N 3.08Å |
| 52 | C | 97.3 | Very high | 95.3 | Very high | 80 Ų | 80 | 64.2 Ų | 64.2 | 54% | 0.541 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.2 | -48.1 | 175.8 | -71 | 0 | 0 | 0 | 0 | 111.8 | L48 I49 S54 Y55 C56 | L48-C52 PolarHBondContact O-N 3.42Å; L48-C52 PolarHBondContact O-SG 2.9Å; L48-C52 VanDerWaalsContact O-SG 3.37Å; I49-C52 PolarHBondContact O-N 3.11Å; C52-S54 VanDerWaalsContact C-N 3.33Å; C52-S54 PolarHBondContact O-N 3.11Å; C52-Y55 WeakPolarHBondContact O-CB 3.47Å; C52-Y55 PolarHBondContact O-N 3.24Å; C52-C56 PolarHBondContact O-N 3.44Å; C52-C56 PolarHBondContact O-SG 3.38Å; C52-C56 VanDerWaalsContact O-SG 3.32Å |
| 53 | S | 96.5 | Very high | 94.9 | Very high | 17 Ų | 17 | 62.2 Ų | 62.2 | 12% | 0.119 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.9 | -39.6 | 177.6 | -62.6 | 0 | 0 | 0 | 0 | 112.1 | I49 H50 C56 W57 | I49-S53 WeakPolarHBondContact O-CB 3.44Å; I49-S53 PolarHBondContact O-N 3.41Å; I49-S53 PolarHBondContact O-OG 3.29Å; H50-S53 PolarHBondContact O-N 2.98Å; S53-C56 PolarHBondContact O-N 3.03Å; S53-W57 WeakPolarHBondContact O-CB 3.45Å; S53-W57 PolarHBondContact O-N 3.28Å |
| 54 | S | 96.1 | Very high | 94.3 | Very high | 28 Ų | 28 | 69.7 Ų | 69.7 | 20% | 0.196 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 174.3 | -177.3 | 0 | 0 | 0 | 0 | 111.5 | H50 L51 C52 W57 L58 | H50-S54 WeakPolarHBondContact O-CB 3.34Å; H50-S54 PolarHBondContact O-N 3.48Å; L51-S54 PolarHBondContact O-N 3.39Å; C52-S54 VanDerWaalsContact C-N 3.33Å; C52-S54 PolarHBondContact O-N 3.11Å; S54-W57 PolarHBondContact O-N 3.29Å; S54-L58 WeakPolarHBondContact O-CB 3.43Å; S54-L58 VanDerWaalsContact O-CG 3.29Å; S54-L58 WeakPolarHBondContact O-CG 3.32Å; S54-L58 PolarHBondContact O-N 2.84Å |
| 55 | Y | 95.9 | Very high | 93.9 | Very high | 158 Ų | 158 | 73.6 Ų | 73.6 | 62% | 0.62 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -61.3 | -49 | 175.2 | 178 | -100.2 | 0 | 0 | 0 | 111.6 | L51 C52 W57 L58 V59 | L51-Y55 WeakPolarHBondContact O-CB 3.26Å; L51-Y55 PolarHBondContact O-N 3.08Å; C52-Y55 WeakPolarHBondContact O-CB 3.47Å; C52-Y55 PolarHBondContact O-N 3.24Å; Y55-W57 VanDerWaalsContact C-N 3.29Å; Y55-W57 PolarHBondContact O-N 3.07Å; Y55-L58 PolarHBondContact O-N 3.41Å; Y55-V59 HydrophobicContact CD2-CG1 4.25Å; Y55-V59 HydrophobicContact CE1-CG1 4.14Å; Y55-V59 HydrophobicContact CE1-CG2 4.49Å; Y55-V59 HydrophobicContact CE2-CG1 3.79Å; Y55-V59 WeakPolarHBondContact O-CG2 3.5Å; Y55-V59 PolarHBondContact O-N 3.35Å; Y55-V59 VanDerWaalsContact O-N 3.08Å |
| 56 | C | 94 | Very high | 93.2 | Very high | 67 Ų | 67 | 71.2 Ų | 71.2 | 45% | 0.453 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -57.4 | -41.7 | 176.6 | -69.7 | 0 | 0 | 0 | 0 | 112.3 | C52 S53 V59 D60 | C52-C56 PolarHBondContact O-N 3.44Å; C52-C56 PolarHBondContact O-SG 3.38Å; C52-C56 VanDerWaalsContact O-SG 3.32Å; S53-C56 PolarHBondContact O-N 3.03Å; C56-V59 WeakPolarHBondContact O-CG2 3.35Å; C56-D60 PolarHBondContact O-N 3.49Å |
| 57 | W | 93.5 | Very high | 92.8 | Very high | 30 Ų | 30 | 73.7 Ų | 73.7 | 11% | 0.114 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 176 | 175.7 | 40.7 | 0 | 0 | 0 | 112.5 | S53 S54 Y55 V59 D60 T63 F68 S71 L72 H75 F78 | S53-W57 WeakPolarHBondContact O-CB 3.45Å; S53-W57 PolarHBondContact O-N 3.28Å; S54-W57 PolarHBondContact O-N 3.29Å; Y55-W57 VanDerWaalsContact C-N 3.29Å; Y55-W57 PolarHBondContact O-N 3.07Å; W57-V59 PolarHBondContact O-N 3.03Å; W57-D60 PolarHBondContact O-N 3.24Å; W57-T63 VanDerWaalsContact CD1-OG1 3.29Å; W57-T63 WeakPolarHBondContact O-CB 3.49Å; W57-T63 PolarHBondContact O-OG1 3.47Å; W57-F68 AromaticContact CH2-CE2 3.84Å; W57-F68 HydrophobicContact CH2-CE2 3.84Å; W57-F68 HydrophobicContact CZ2-CD2 4.42Å; W57-F68 HydrophobicContact CZ2-CE2 4.11Å; W57-S71 PolarHBondContact NE1-OG 3.5Å; W57-L72 HydrophobicContact CH2-CD2 4.23Å; W57-L72 HydrophobicContact CZ2-CD2 3.84Å; W57-H75 AromaticContact CD1-CD2 3.14Å; W57-H75 AromaticContact CD1-CG 3.38Å; W57-H75 AromaticContact CD1-NE2 3.65Å; W57-H75 HydrophobicContact CG-CB 4.32Å; W57-H75 AromaticContact NE1-CD2 3.65Å; W57-F78 HydrophobicContact CB-CB 4.35Å; W57-F78 HydrophobicContact CD2-CD1 4.15Å; W57-F78 HydrophobicContact CD2-CE1 4.39Å; W57-F78 HydrophobicContact CD2-CG 4.34Å; W57-F78 AromaticContact CE3-CD1 3.94Å; W57-F78 HydrophobicContact CE3-CD1 3.94Å; W57-F78 HydrophobicContact CE3-CD2 4.17Å; W57-F78 AromaticContact CE3-CE1 3.79Å; W57-F78 HydrophobicContact CE3-CE1 3.79Å; W57-F78 HydrophobicContact CE3-CE2 4.02Å; W57-F78 HydrophobicContact CE3-CG 4.12Å; W57-F78 AromaticContact CE3-CZ 3.83Å; W57-F78 HydrophobicContact CE3-CZ 3.83Å; W57-F78 HydrophobicContact CH2-CE1 4.27Å; W57-F78 HydrophobicContact CZ3-CD1 4.3Å; W57-F78 AromaticContact CZ3-CE1 3.73Å; W57-F78 HydrophobicContact CZ3-CE1 3.73Å; W57-F78 HydrophobicContact CZ3-CE2 4.33Å; W57-F78 AromaticContact CZ3-CZ 3.74Å; W57-F78 HydrophobicContact CZ3-CZ 3.74Å |
| 58 | L | 92.6 | Very high | 92.3 | Very high | 86 Ų | 86 | 77.4 Ų | 77.4 | 45% | 0.45 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -72.3 | -28.1 | -176.8 | -72.7 | 172.2 | 0 | 0 | 0 | 114.2 | S54 Y55 Y64 | S54-L58 WeakPolarHBondContact O-CB 3.43Å; S54-L58 VanDerWaalsContact O-CG 3.29Å; S54-L58 WeakPolarHBondContact O-CG 3.32Å; S54-L58 PolarHBondContact O-N 2.84Å; Y55-L58 PolarHBondContact O-N 3.41Å; L58-Y64 PolarHBondContact O-OH 3.1Å |
| 59 | V | 93.6 | Very high | 91.9 | Very high | 81 Ų | 81 | 77.4 Ų | 77.4 | 49% | 0.491 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -86.8 | -10.4 | 177.1 | -58.2 | 0 | 0 | 0 | 0 | 113.2 | Y55 C56 W57 | Y55-V59 HydrophobicContact CD2-CG1 4.25Å; Y55-V59 HydrophobicContact CE1-CG1 4.14Å; Y55-V59 HydrophobicContact CE1-CG2 4.49Å; Y55-V59 HydrophobicContact CE2-CG1 3.79Å; Y55-V59 WeakPolarHBondContact O-CG2 3.5Å; Y55-V59 PolarHBondContact O-N 3.35Å; Y55-V59 VanDerWaalsContact O-N 3.08Å; C56-V59 WeakPolarHBondContact O-CG2 3.35Å; W57-V59 PolarHBondContact O-N 3.03Å |
| 60 | D | 91.6 | Very high | 91.6 | Very high | 49 Ų | 49 | 74.3 Ų | 74.3 | 26% | 0.262 | 40% | 0.403 | S | S | . | . | trans | -70.5 | 122.5 | 178 | -167.4 | -35.9 | 0 | 0 | 0 | 110.4 | C56 W57 V62 T63 H75 | C56-D60 PolarHBondContact O-N 3.49Å; W57-D60 PolarHBondContact O-N 3.24Å; D60-V62 PolarHBondContact O-N 2.88Å; D60-V62 VanDerWaalsContact OD1-CB 3.24Å; D60-V62 WeakPolarHBondContact OD1-CB 3.29Å; D60-V62 VanDerWaalsContact OD1-CG2 3.31Å; D60-V62 WeakPolarHBondContact OD1-CG2 3.38Å; D60-V62 PolarHBondContact OD1-N 3.48Å; D60-T63 VanDerWaalsContact O-CB 3.24Å; D60-T63 WeakPolarHBondContact O-CB 3.42Å; D60-T63 PolarHBondContact O-N 3.49Å; D60-T63 VanDerWaalsContact O-N 3.1Å; D60-T63 PolarHBondContact O-OG1 3.27Å; D60-H75 IonicContact OD2-CE1 3.66Å; D60-H75 PolarHBondContact OD2-CE1 3.21Å; D60-H75 IonicContact OD2-NE2 2.95Å | ||
| 61 | P | 88.9 | Confident | 91.3 | Very high | 88 Ų | 88 | 72.7 Ų | 72.7 | 57% | 0.571 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -59 | -28 | 176.7 | 25 | -35.8 | 0 | 0 | 0 | 113.5 | T63 Y64 | P61-T63 PolarHBondContact O-N 3.08Å; P61-Y64 PolarHBondContact O-N 3.05Å |
| 62 | V | 86.6 | Confident | 91 | Very high | 37 Ų | 37 | 69.5 Ų | 69.5 | 22% | 0.224 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -67.1 | -24.8 | 179.3 | -175.9 | 0 | 0 | 0 | 0 | 111.6 | D60 Y64 Q65 A66 K74 | D60-V62 PolarHBondContact O-N 2.88Å; D60-V62 VanDerWaalsContact OD1-CB 3.24Å; D60-V62 WeakPolarHBondContact OD1-CB 3.29Å; D60-V62 VanDerWaalsContact OD1-CG2 3.31Å; D60-V62 WeakPolarHBondContact OD1-CG2 3.38Å; D60-V62 PolarHBondContact OD1-N 3.48Å; V62-Y64 PolarHBondContact O-N 3.06Å; V62-Q65 PolarHBondContact O-N 2.96Å; V62-A66 PolarHBondContact O-N 3.13Å; V62-A66 VanDerWaalsContact O-N 3.08Å; V62-K74 HydrophobicContact CG1-CD 3.37Å |
| 63 | T | 87.1 | Confident | 90.6 | Very high | 20 Ų | 20 | 73 Ų | 73 | 12% | 0.123 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -58.2 | -33.6 | 177.3 | -66.3 | 0 | 0 | 0 | 0 | 112.5 | W57 D60 P61 S71 H75 | W57-T63 VanDerWaalsContact CD1-OG1 3.29Å; W57-T63 WeakPolarHBondContact O-CB 3.49Å; W57-T63 PolarHBondContact O-OG1 3.47Å; D60-T63 VanDerWaalsContact O-CB 3.24Å; D60-T63 WeakPolarHBondContact O-CB 3.42Å; D60-T63 PolarHBondContact O-N 3.49Å; D60-T63 VanDerWaalsContact O-N 3.1Å; D60-T63 PolarHBondContact O-OG1 3.27Å; P61-T63 PolarHBondContact O-N 3.08Å; T63-S71 WeakPolarHBondContact CA-OG 3.32Å; T63-H75 PolarHBondContact OG1-NE2 3.37Å |
| 64 | Y | 84.9 | Confident | 90.3 | Very high | 178 Ų | 178 | 77.9 Ų | 77.9 | 70% | 0.698 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -89 | -14.1 | 178.3 | -56.3 | -80.6 | 0 | 0 | 0 | 113.4 | L58 P61 V62 | L58-Y64 PolarHBondContact O-OH 3.1Å; P61-Y64 PolarHBondContact O-N 3.05Å; V62-Y64 PolarHBondContact O-N 3.06Å |
| 65 | Q | 88.6 | Confident | 90.2 | Very high | 152 Ų | 152 | 76.9 Ų | 76.9 | 71% | 0.71 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -31.1 | -179 | -64.9 | 176.5 | 1.5 | 0 | 0 | 112.4 | V62 | V62-Q65 PolarHBondContact O-N 2.96Š|
| 66 | A | 83.9 | Confident | 90.1 | Very high | 24 Ų | 24 | 72.7 Ų | 72.7 | 20% | 0.198 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -95.4 | 149.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | V62 | V62-A66 PolarHBondContact O-N 3.13Å; V62-A66 VanDerWaalsContact O-N 3.08Å |
| 67 | G | 87.6 | Confident | 90.1 | Very high | 57 Ų | 57 | 73.2 Ų | 73.2 | 59% | 0.588 | 39% | 0.387 | S | S | * | . | trans | -60.6 | 159.5 | 165 | 0 | 0 | 0 | 0 | 0 | 110.9 | I69 G70 S71 | G67-I69 PolarHBondContact O-N 3.18Å; G67-G70 CarbonylContact O-C 3.17Å; G67-G70 WeakPolarHBondContact O-CA 3.04Å; G67-G70 PolarHBondContact O-N 2.9Å; G67-S71 PolarHBondContact O-N 3.15Å | ||
| 68 | F | 88.3 | Confident | 90.1 | Very high | 137 Ų | 137 | 72.8 Ų | 72.8 | 60% | 0.601 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -48.5 | -50.7 | -171.3 | 179.6 | -105.1 | 0 | 0 | 0 | 114.7 | W57 S71 L72 | W57-F68 AromaticContact CH2-CE2 3.84Å; W57-F68 HydrophobicContact CH2-CE2 3.84Å; W57-F68 HydrophobicContact CZ2-CD2 4.42Å; W57-F68 HydrophobicContact CZ2-CE2 4.11Å; F68-S71 WeakPolarHBondContact O-CB 3.43Å; F68-S71 PolarHBondContact O-N 3.23Å; F68-L72 HydrophobicContact CD1-CD1 4.09Å; F68-L72 HydrophobicContact CE1-CD1 3.52Å; F68-L72 HydrophobicContact CE1-CG 4.36Å; F68-L72 HydrophobicContact CE2-CD1 4.46Å; F68-L72 HydrophobicContact CZ-CD1 3.74Å; F68-L72 HydrophobicContact CZ-CG 4.31Å; F68-L72 WeakPolarHBondContact O-CG 3.48Å; F68-L72 PolarHBondContact O-N 2.9Å |
| 69 | I | 90 | Very high | 90.3 | Very high | 110 Ų | 110 | 71 Ų | 71 | 56% | 0.564 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -63.9 | -44 | 178.7 | -59 | -61 | 0 | 0 | 0 | 111.3 | G67 S71 L72 E73 | G67-I69 PolarHBondContact O-N 3.18Å; I69-S71 VanDerWaalsContact C-N 3.26Å; I69-S71 PolarHBondContact O-N 3.4Å; I69-L72 PolarHBondContact O-N 3.29Å; I69-L72 VanDerWaalsContact O-N 3.16Å; I69-E73 PolarHBondContact O-N 3.29Å |
| 70 | G | 90.4 | Very high | 90.4 | Very high | 24 Ų | 24 | 72.5 Ų | 72.5 | 25% | 0.247 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -67.2 | -27 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G67 K74 | G67-G70 CarbonylContact O-C 3.17Å; G67-G70 WeakPolarHBondContact O-CA 3.04Å; G67-G70 PolarHBondContact O-N 2.9Å; G70-K74 WeakPolarHBondContact O-CG 3.44Å |
| 71 | S | 91.2 | Very high | 90.7 | Very high | 2 Ų | 2 | 70.7 Ų | 70.7 | 1% | 0.014 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -68.7 | -48.3 | 169.6 | 176.2 | 0 | 0 | 0 | 0 | 110.2 | W57 T63 G67 F68 I69 E73 K74 H75 | W57-S71 PolarHBondContact NE1-OG 3.5Å; T63-S71 WeakPolarHBondContact CA-OG 3.32Å; G67-S71 PolarHBondContact O-N 3.15Å; F68-S71 WeakPolarHBondContact O-CB 3.43Å; F68-S71 PolarHBondContact O-N 3.23Å; I69-S71 VanDerWaalsContact C-N 3.26Å; I69-S71 PolarHBondContact O-N 3.4Å; S71-E73 VanDerWaalsContact C-N 3.29Å; S71-E73 PolarHBondContact O-N 2.85Å; S71-K74 WeakPolarHBondContact O-CB 3.45Å; S71-K74 PolarHBondContact O-N 3.17Å; S71-H75 PolarHBondContact O-CD2 3.13Å; S71-H75 PolarHBondContact O-N 3.06Å |
| 72 | L | 91.6 | Very high | 91.1 | Very high | 34 Ų | 34 | 69.5 Ų | 69.5 | 18% | 0.178 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.8 | -37.9 | 177.2 | -68.7 | 178.4 | 0 | 0 | 0 | 113.3 | W57 F68 I69 K74 H75 F78 V79 | W57-L72 HydrophobicContact CH2-CD2 4.23Å; W57-L72 HydrophobicContact CZ2-CD2 3.84Å; F68-L72 HydrophobicContact CD1-CD1 4.09Å; F68-L72 HydrophobicContact CE1-CD1 3.52Å; F68-L72 HydrophobicContact CE1-CG 4.36Å; F68-L72 HydrophobicContact CE2-CD1 4.46Å; F68-L72 HydrophobicContact CZ-CD1 3.74Å; F68-L72 HydrophobicContact CZ-CG 4.31Å; F68-L72 WeakPolarHBondContact O-CG 3.48Å; F68-L72 PolarHBondContact O-N 2.9Å; I69-L72 PolarHBondContact O-N 3.29Å; I69-L72 VanDerWaalsContact O-N 3.16Å; L72-K74 PolarHBondContact O-N 3.21Å; L72-H75 CarbonylContact O-C 3.52Å; L72-H75 PolarHBondContact O-N 3.49Å; L72-H75 VanDerWaalsContact O-N 3.09Å; L72-F78 HydrophobicContact CD2-CD1 3.7Å; L72-F78 HydrophobicContact CD2-CE1 3.76Å; L72-V79 HydrophobicContact CB-CG2 4.08Å; L72-V79 HydrophobicContact CD2-CG2 4.22Å |
| 73 | E | 89.4 | Confident | 91.6 | Very high | 154 Ų | 154 | 72.4 Ų | 72.4 | 72% | 0.72 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -61.6 | -30.3 | 175.2 | -74.5 | 178.9 | 169.9 | 0 | 0 | 113 | I69 S71 H75 | I69-E73 PolarHBondContact O-N 3.29Å; S71-E73 VanDerWaalsContact C-N 3.29Å; S71-E73 PolarHBondContact O-N 2.85Å; E73-H75 VanDerWaalsContact C-N 3.32Å |
| 74 | K | 91.4 | Very high | 92 | Very high | 120 Ų | 120 | 76.6 Ų | 76.6 | 52% | 0.522 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -81.9 | -11.9 | 176.6 | -68.2 | -177.6 | -177.7 | 179.8 | 0 | 113.6 | V62 G70 S71 L72 P76 | V62-K74 HydrophobicContact CG1-CD 3.37Å; G70-K74 WeakPolarHBondContact O-CG 3.44Å; S71-K74 WeakPolarHBondContact O-CB 3.45Å; S71-K74 PolarHBondContact O-N 3.17Å; L72-K74 PolarHBondContact O-N 3.21Å; K74-P76 VanDerWaalsContact O-CD 3.29Å; K74-P76 WeakPolarHBondContact O-CD 3.45Å |
| 75 | H | 92.9 | Very high | 92.6 | Very high | 6 Ų | 6 | 69.1 Ų | 69.1 | 3% | 0.028 | 37% | 0.365 | C | S | . | . | trans | -122.4 | 61.7 | -177 | -68.5 | -72.9 | 0 | 0 | 0 | 112.3 | W57 D60 T63 S71 L72 E73 E77 F78 V79 | W57-H75 AromaticContact CD1-CD2 3.14Å; W57-H75 AromaticContact CD1-CG 3.38Å; W57-H75 AromaticContact CD1-NE2 3.65Å; W57-H75 HydrophobicContact CG-CB 4.32Å; W57-H75 AromaticContact NE1-CD2 3.65Å; D60-H75 IonicContact OD2-CE1 3.66Å; D60-H75 PolarHBondContact OD2-CE1 3.21Å; D60-H75 IonicContact OD2-NE2 2.95Å; T63-H75 PolarHBondContact OG1-NE2 3.37Å; S71-H75 PolarHBondContact O-CD2 3.13Å; S71-H75 PolarHBondContact O-N 3.06Å; L72-H75 CarbonylContact O-C 3.52Å; L72-H75 PolarHBondContact O-N 3.49Å; L72-H75 VanDerWaalsContact O-N 3.09Å; E73-H75 VanDerWaalsContact C-N 3.32Å; H75-E77 IonicContact CG-OE1 2.78Å; H75-E77 IonicContact ND1-OE1 2.8Å; H75-E77 PolarHBondContact ND1-OE1 3.11Å; H75-E77 PolarHBondContact O-N 2.78Å; H75-F78 HydrophobicContact CB-CB 4.36Å; H75-F78 PolarHBondContact O-N 3.43Å; H75-F78 VanDerWaalsContact O-N 3.15Å; H75-V79 PolarHBondContact O-N 3Å | ||
| 76 | P | 93.5 | Very high | 93 | Very high | 70 Ų | 70 | 65.9 Ų | 65.9 | 46% | 0.455 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.4 | -30.2 | -178.7 | 26.2 | -35.5 | 0 | 0 | 0 | 112.8 | K74 F78 V79 L80 | K74-P76 VanDerWaalsContact O-CD 3.29Å; K74-P76 WeakPolarHBondContact O-CD 3.45Å; P76-F78 VanDerWaalsContact C-N 3.35Å; P76-F78 PolarHBondContact O-N 3.37Å; P76-V79 PolarHBondContact O-N 2.87Å; P76-L80 VanDerWaalsContact O-CB 3.29Å; P76-L80 WeakPolarHBondContact O-CB 2.98Å; P76-L80 WeakPolarHBondContact O-CG 3.12Å; P76-L80 PolarHBondContact O-N 3.49Å |
| 77 | E | 93.8 | Very high | 93.7 | Very high | 79 Ų | 79 | 66.8 Ų | 66.8 | 37% | 0.369 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.8 | -42.7 | 176.6 | 66.5 | -72 | 172.7 | 0 | 0 | 112.5 | H75 S81 | H75-E77 IonicContact CG-OE1 2.78Å; H75-E77 IonicContact ND1-OE1 2.8Å; H75-E77 PolarHBondContact ND1-OE1 3.11Å; H75-E77 PolarHBondContact O-N 2.78Å; E77-S81 WeakPolarHBondContact O-CB 3.47Å; E77-S81 PolarHBondContact O-N 3.41Å; E77-S81 PolarHBondContact O-OG 2.86Å |
| 78 | F | 95 | Very high | 94.1 | Very high | 20 Ų | 20 | 64.6 Ų | 64.6 | 9% | 0.088 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.2 | -49 | 176.8 | 172.7 | -105.6 | 0 | 0 | 0 | 110.3 | H50 W57 L72 H75 P76 L80 S81 L82 | H50-F78 AromaticContact CE1-CE2 3.36Å; H50-F78 WeakPolarHBondContact CE1-CE2 3.06Å; W57-F78 HydrophobicContact CB-CB 4.35Å; W57-F78 HydrophobicContact CD2-CD1 4.15Å; W57-F78 HydrophobicContact CD2-CE1 4.39Å; W57-F78 HydrophobicContact CD2-CG 4.34Å; W57-F78 AromaticContact CE3-CD1 3.94Å; W57-F78 HydrophobicContact CE3-CD1 3.94Å; W57-F78 HydrophobicContact CE3-CD2 4.17Å; W57-F78 AromaticContact CE3-CE1 3.79Å; W57-F78 HydrophobicContact CE3-CE1 3.79Å; W57-F78 HydrophobicContact CE3-CE2 4.02Å; W57-F78 HydrophobicContact CE3-CG 4.12Å; W57-F78 AromaticContact CE3-CZ 3.83Å; W57-F78 HydrophobicContact CE3-CZ 3.83Å; W57-F78 HydrophobicContact CH2-CE1 4.27Å; W57-F78 HydrophobicContact CZ3-CD1 4.3Å; W57-F78 AromaticContact CZ3-CE1 3.73Å; W57-F78 HydrophobicContact CZ3-CE1 3.73Å; W57-F78 HydrophobicContact CZ3-CE2 4.33Å; W57-F78 AromaticContact CZ3-CZ 3.74Å; W57-F78 HydrophobicContact CZ3-CZ 3.74Å; L72-F78 HydrophobicContact CD2-CD1 3.7Å; L72-F78 HydrophobicContact CD2-CE1 3.76Å; H75-F78 HydrophobicContact CB-CB 4.36Å; H75-F78 PolarHBondContact O-N 3.43Å; H75-F78 VanDerWaalsContact O-N 3.15Å; P76-F78 VanDerWaalsContact C-N 3.35Å; P76-F78 PolarHBondContact O-N 3.37Å; F78-L80 PolarHBondContact O-N 2.73Å; F78-S81 PolarHBondContact O-N 3.32Å; F78-S81 PolarHBondContact O-OG 3.41Å; F78-L82 HydrophobicContact CE1-CD2 4.37Å; F78-L82 HydrophobicContact CZ-CD2 4.38Å; F78-L82 WeakPolarHBondContact O-CB 3.38Å; F78-L82 PolarHBondContact O-N 3.36Å |
| 79 | V | 95.9 | Very high | 94.5 | Very high | 48 Ų | 48 | 63.2 Ų | 63.2 | 29% | 0.291 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.2 | -47 | -179.8 | 179.1 | 0 | 0 | 0 | 0 | 111.1 | L72 H75 P76 L82 L83 | L72-V79 HydrophobicContact CB-CG2 4.08Å; L72-V79 HydrophobicContact CD2-CG2 4.22Å; H75-V79 PolarHBondContact O-N 3Å; P76-V79 PolarHBondContact O-N 2.87Å; V79-L82 PolarHBondContact O-N 2.84Å; V79-L83 HydrophobicContact CG1-CD1 4.06Å; V79-L83 HydrophobicContact CG1-CG 4.38Å; V79-L83 WeakPolarHBondContact O-CB 3.35Å; V79-L83 VanDerWaalsContact O-CG 3.32Å; V79-L83 WeakPolarHBondContact O-CG 3.45Å; V79-L83 PolarHBondContact O-N 3.21Å |
| 80 | L | 96.3 | Very high | 94.8 | Very high | 114 Ų | 114 | 66.3 Ų | 66.3 | 60% | 0.597 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -63.9 | -42.9 | 178.6 | -71.8 | 172.5 | 0 | 0 | 0 | 112 | P76 F78 L82 L83 F84 | P76-L80 VanDerWaalsContact O-CB 3.29Å; P76-L80 WeakPolarHBondContact O-CB 2.98Å; P76-L80 WeakPolarHBondContact O-CG 3.12Å; P76-L80 PolarHBondContact O-N 3.49Å; F78-L80 PolarHBondContact O-N 2.73Å; L80-L82 VanDerWaalsContact C-N 3.3Å; L80-L82 PolarHBondContact O-N 3.04Å; L80-L83 PolarHBondContact O-N 2.97Å; L80-F84 VanDerWaalsContact O-CB 3.29Å; L80-F84 WeakPolarHBondContact O-CB 3.23Å; L80-F84 PolarHBondContact O-N 3.42Å |
| 81 | S | 96.9 | Very high | 95 | Very high | 10 Ų | 10 | 70.8 Ų | 70.8 | 7% | 0.07 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 176.6 | 77.3 | 0 | 0 | 0 | 0 | 111.8 | H50 E77 F78 F84 L85 | H50-S81 PolarHBondContact ND1-OG 3.49Å; E77-S81 WeakPolarHBondContact O-CB 3.47Å; E77-S81 PolarHBondContact O-N 3.41Å; E77-S81 PolarHBondContact O-OG 2.86Å; F78-S81 PolarHBondContact O-N 3.32Å; F78-S81 PolarHBondContact O-OG 3.41Å; S81-F84 PolarHBondContact O-N 2.88Å; S81-L85 WeakPolarHBondContact O-CB 3.45Å; S81-L85 PolarHBondContact O-N 2.89Å |
| 82 | L | 97.1 | Very high | 95 | Very high | 64 Ų | 64 | 71.3 Ų | 71.3 | 34% | 0.335 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -67.3 | -47.1 | 178.6 | 179.5 | 60.5 | 0 | 0 | 0 | 111 | F78 V79 L80 F84 L85 M86 | F78-L82 HydrophobicContact CE1-CD2 4.37Å; F78-L82 HydrophobicContact CZ-CD2 4.38Å; F78-L82 WeakPolarHBondContact O-CB 3.38Å; F78-L82 PolarHBondContact O-N 3.36Å; V79-L82 PolarHBondContact O-N 2.84Å; L80-L82 VanDerWaalsContact C-N 3.3Å; L80-L82 PolarHBondContact O-N 3.04Å; L82-F84 VanDerWaalsContact C-N 3.32Å; L82-F84 PolarHBondContact O-N 2.93Å; L82-L85 PolarHBondContact O-N 3.31Å; L82-M86 HydrophobicContact CD1-CG 4.48Å; L82-M86 HydrophobicContact CG-SD 4.27Å; L82-M86 WeakPolarHBondContact O-CB 3.3Å; L82-M86 VanDerWaalsContact O-CG 3.31Å; L82-M86 WeakPolarHBondContact O-CG 3.37Å; L82-M86 PolarHBondContact O-N 3.32Å |
| 83 | L | 97.1 | Very high | 95.1 | Very high | 97 Ų | 97 | 69.7 Ų | 69.7 | 51% | 0.508 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.2 | -41.8 | 176.8 | -72.2 | 177.6 | 0 | 0 | 0 | 111.6 | V79 L80 M86 A87 | V79-L83 HydrophobicContact CG1-CD1 4.06Å; V79-L83 HydrophobicContact CG1-CG 4.38Å; V79-L83 WeakPolarHBondContact O-CB 3.35Å; V79-L83 VanDerWaalsContact O-CG 3.32Å; V79-L83 WeakPolarHBondContact O-CG 3.45Å; V79-L83 PolarHBondContact O-N 3.21Å; L80-L83 PolarHBondContact O-N 2.97Å; L83-M86 PolarHBondContact O-N 3.04Å; L83-A87 WeakPolarHBondContact O-CB 3.39Å; L83-A87 PolarHBondContact O-N 2.94Å |
| 84 | F | 96.8 | Very high | 95.3 | Very high | 109 Ų | 109 | 67.2 Ų | 67.2 | 48% | 0.478 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 175.8 | -180 | -111.5 | 0 | 0 | 0 | 111.7 | A46 L80 S81 L82 A87 L88 | A46-F84 HydrophobicContact CB-CD1 4.15Å; A46-F84 HydrophobicContact CB-CE1 3.89Å; L80-F84 VanDerWaalsContact O-CB 3.29Å; L80-F84 WeakPolarHBondContact O-CB 3.23Å; L80-F84 PolarHBondContact O-N 3.42Å; S81-F84 PolarHBondContact O-N 2.88Å; L82-F84 VanDerWaalsContact C-N 3.32Å; L82-F84 PolarHBondContact O-N 2.93Å; F84-A87 PolarHBondContact O-N 3.06Å; F84-L88 HydrophobicContact CD1-CD1 4Å; F84-L88 HydrophobicContact CE1-CD1 3.55Å; F84-L88 HydrophobicContact CE1-CG 4.28Å; F84-L88 HydrophobicContact CE2-CG 4.47Å; F84-L88 HydrophobicContact CZ-CD1 3.88Å; F84-L88 HydrophobicContact CZ-CD2 4.32Å; F84-L88 HydrophobicContact CZ-CG 4.2Å; F84-L88 WeakPolarHBondContact O-CG 3.49Å; F84-L88 PolarHBondContact O-N 3.48Å |
| 85 | L | 97.3 | Very high | 95.4 | Very high | 21 Ų | 21 | 69.2 Ų | 69.2 | 11% | 0.11 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 176.5 | -172.8 | 64.6 | 0 | 0 | 0 | 111.1 | A46 V47 H50 S81 L82 A87 L88 F89 | A46-L85 HydrophobicContact CB-CD1 4.15Å; V47-L85 HydrophobicContact CG2-CD1 4.01Å; H50-L85 HydrophobicContact CB-CD2 4.39Å; S81-L85 WeakPolarHBondContact O-CB 3.45Å; S81-L85 PolarHBondContact O-N 2.89Å; L82-L85 PolarHBondContact O-N 3.31Å; L85-A87 PolarHBondContact O-N 2.66Å; L85-L88 WeakPolarHBondContact O-CB 3.41Å; L85-L88 PolarHBondContact O-N 2.93Å; L85-F89 HydrophobicContact CD1-CD2 4.34Å; L85-F89 HydrophobicContact CD1-CE2 3.8Å; L85-F89 HydrophobicContact CD2-CE2 4.37Å; L85-F89 HydrophobicContact CG-CD2 4.11Å; L85-F89 HydrophobicContact CG-CE2 3.79Å; L85-F89 WeakPolarHBondContact O-CD2 3.26Å; L85-F89 PolarHBondContact O-N 3.19Å; L85-F89 VanDerWaalsContact O-N 3.11Å |
| 86 | M | 97.4 | Very high | 95.5 | Very high | 84 Ų | 84 | 72.2 Ų | 72.2 | 41% | 0.414 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -57.7 | -47.4 | 174.3 | -73 | 176.5 | 65.9 | 0 | 0 | 111.3 | L82 L83 L88 F89 F90 | L82-M86 HydrophobicContact CD1-CG 4.48Å; L82-M86 HydrophobicContact CG-SD 4.27Å; L82-M86 WeakPolarHBondContact O-CB 3.3Å; L82-M86 VanDerWaalsContact O-CG 3.31Å; L82-M86 WeakPolarHBondContact O-CG 3.37Å; L82-M86 PolarHBondContact O-N 3.32Å; L83-M86 PolarHBondContact O-N 3.04Å; M86-L88 VanDerWaalsContact C-N 3.32Å; M86-L88 PolarHBondContact O-N 3.33Å; M86-F89 PolarHBondContact O-N 2.78Å; M86-F89 VanDerWaalsContact O-N 3.11Å; M86-F90 HydrophobicContact CB-CD2 4.39Å; M86-F90 HydrophobicContact CB-CE2 4.3Å; M86-F90 HydrophobicContact CE-CE2 4.09Å; M86-F90 WeakPolarHBondContact O-CD2 3.25Å; M86-F90 PolarHBondContact O-N 3.33Å |
| 87 | A | 97.2 | Very high | 95.6 | Very high | 42 Ų | 42 | 69.6 Ų | 69.6 | 35% | 0.347 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.9 | -42.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L83 F84 L85 F89 F90 L91 | L83-A87 WeakPolarHBondContact O-CB 3.39Å; L83-A87 PolarHBondContact O-N 2.94Å; F84-A87 PolarHBondContact O-N 3.06Å; L85-A87 PolarHBondContact O-N 2.66Å; A87-F89 VanDerWaalsContact C-N 3.33Å; A87-F89 PolarHBondContact O-N 3.46Å; A87-F90 PolarHBondContact O-N 3.12Å; A87-L91 WeakPolarHBondContact O-CB 3.33Å; A87-L91 WeakPolarHBondContact O-CG 3.34Å; A87-L91 PolarHBondContact O-N 3.02Å |
| 88 | L | 97 | Very high | 95.6 | Very high | 11 Ų | 11 | 67.6 Ų | 67.6 | 6% | 0.058 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.2 | -42.9 | 174.7 | -73 | 172.1 | 0 | 0 | 0 | 112.1 | W39 V42 L43 A46 F84 L85 M86 L91 G92 A93 | W39-L88 HydrophobicContact CZ3-CD2 3.96Å; V42-L88 HydrophobicContact CG1-CD1 4.24Å; V42-L88 HydrophobicContact CG1-CD2 4.02Å; L43-L88 HydrophobicContact CD2-CB 4.16Å; L43-L88 HydrophobicContact CD2-CD1 4.27Å; A46-L88 HydrophobicContact CB-CD1 3.57Å; F84-L88 HydrophobicContact CD1-CD1 4Å; F84-L88 HydrophobicContact CE1-CD1 3.55Å; F84-L88 HydrophobicContact CE1-CG 4.28Å; F84-L88 HydrophobicContact CE2-CG 4.47Å; F84-L88 HydrophobicContact CZ-CD1 3.88Å; F84-L88 HydrophobicContact CZ-CD2 4.32Å; F84-L88 HydrophobicContact CZ-CG 4.2Å; F84-L88 WeakPolarHBondContact O-CG 3.49Å; F84-L88 PolarHBondContact O-N 3.48Å; L85-L88 WeakPolarHBondContact O-CB 3.41Å; L85-L88 PolarHBondContact O-N 2.93Å; M86-L88 VanDerWaalsContact C-N 3.32Å; M86-L88 PolarHBondContact O-N 3.33Å; L88-L91 PolarHBondContact O-N 3.37Å; L88-G92 PolarHBondContact O-N 2.95Å; L88-A93 HydrophobicContact CB-CB 4.14Å; L88-A93 WeakPolarHBondContact O-CB 3.4Å; L88-A93 PolarHBondContact O-N 2.9Å |
| 89 | F | 95.8 | Very high | 95.6 | Very high | 108 Ų | 108 | 70.1 Ų | 70.1 | 47% | 0.474 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.8 | -45 | 176.2 | -79.7 | -70.6 | 0 | 0 | 0 | 112.2 | L85 M86 A87 L91 G92 H94 | L85-F89 HydrophobicContact CD1-CD2 4.34Å; L85-F89 HydrophobicContact CD1-CE2 3.8Å; L85-F89 HydrophobicContact CD2-CE2 4.37Å; L85-F89 HydrophobicContact CG-CD2 4.11Å; L85-F89 HydrophobicContact CG-CE2 3.79Å; L85-F89 WeakPolarHBondContact O-CD2 3.26Å; L85-F89 PolarHBondContact O-N 3.19Å; L85-F89 VanDerWaalsContact O-N 3.11Å; M86-F89 PolarHBondContact O-N 2.78Å; M86-F89 VanDerWaalsContact O-N 3.11Å; A87-F89 VanDerWaalsContact C-N 3.33Å; A87-F89 PolarHBondContact O-N 3.46Å; F89-L91 PolarHBondContact O-N 3.03Å; F89-G92 WeakPolarHBondContact O-CA 3.34Å; F89-G92 PolarHBondContact O-N 3.43Å; F89-H94 HydrophobicContact CD1-CB 4.05Å; F89-H94 HydrophobicContact CE1-CB 4.12Å |
| 90 | F | 96 | Very high | 95.5 | Very high | 175 Ų | 175 | 68.5 Ų | 68.5 | 77% | 0.768 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -64.1 | -37.1 | 176.9 | -75.8 | -63.9 | 0 | 0 | 0 | 112.9 | M86 A87 G92 | M86-F90 HydrophobicContact CB-CD2 4.39Å; M86-F90 HydrophobicContact CB-CE2 4.3Å; M86-F90 HydrophobicContact CE-CE2 4.09Å; M86-F90 WeakPolarHBondContact O-CD2 3.25Å; M86-F90 PolarHBondContact O-N 3.33Å; A87-F90 PolarHBondContact O-N 3.12Å; F90-G92 PolarHBondContact O-N 3.26Å; F90-G92 VanDerWaalsContact O-N 3.07Å |
| 91 | L | 94.5 | Very high | 95.3 | Very high | 118 Ų | 118 | 65.7 Ų | 65.7 | 62% | 0.618 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | 4.6 | 172.2 | -67.3 | 174.3 | 0 | 0 | 0 | 113.5 | A87 L88 F89 A93 K96 | A87-L91 WeakPolarHBondContact O-CB 3.33Å; A87-L91 WeakPolarHBondContact O-CG 3.34Å; A87-L91 PolarHBondContact O-N 3.02Å; L88-L91 PolarHBondContact O-N 3.37Å; F89-L91 PolarHBondContact O-N 3.03Å; L91-A93 PolarHBondContact O-N 3.4Å; L91-K96 PolarHBondContact O-NZ 3.48Å |
| 92 | G | 92.7 | Very high | 95.2 | Very high | 14 Ų | 14 | 68.4 Ų | 68.4 | 14% | 0.144 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 26.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L88 F89 F90 H94 K95 K96 | L88-G92 PolarHBondContact O-N 2.95Å; F89-G92 WeakPolarHBondContact O-CA 3.34Å; F89-G92 PolarHBondContact O-N 3.43Å; F90-G92 PolarHBondContact O-N 3.26Å; F90-G92 VanDerWaalsContact O-N 3.07Å; G92-H94 PolarHBondContact O-N 2.86Å; G92-K95 WeakPolarHBondContact O-CB 3.19Å; G92-K95 PolarHBondContact O-N 3.39Å; G92-K95 VanDerWaalsContact O-N 3.08Å; G92-K96 WeakPolarHBondContact O-CG 3.38Å; G92-K96 PolarHBondContact O-N 3.27Å |
| 93 | A | 93.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -52.8 | -42.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | W39 L43 L88 L91 K95 K96 V97 | W39-A93 HydrophobicContact CE3-CB 3.52Å; W39-A93 HydrophobicContact CZ3-CB 3.62Å; L43-A93 HydrophobicContact CD1-CB 4.05Å; L43-A93 HydrophobicContact CD2-CB 3.82Å; L43-A93 HydrophobicContact CG-CB 4.05Å; L88-A93 HydrophobicContact CB-CB 4.14Å; L88-A93 WeakPolarHBondContact O-CB 3.4Å; L88-A93 PolarHBondContact O-N 2.9Å; L91-A93 PolarHBondContact O-N 3.4Å; A93-K95 PolarHBondContact O-N 3.19Å; A93-K96 WeakPolarHBondContact O-CB 3.39Å; A93-K96 PolarHBondContact O-N 3.37Å; A93-K96 VanDerWaalsContact O-N 3.15Å; A93-V97 PolarHBondContact O-N 2.91Å; A93-V97 VanDerWaalsContact O-N 3.1Å |
| 94 | H | 93.5 | Very high | 94.9 | Very high | 101 Ų | 101 | 62.8 Ų | 62.8 | 47% | 0.468 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -56.7 | -50.8 | 175 | -178.1 | -100.5 | 0 | 0 | 0 | 112 | F89 G92 K96 V97 V98 | F89-H94 HydrophobicContact CD1-CB 4.05Å; F89-H94 HydrophobicContact CE1-CB 4.12Å; G92-H94 PolarHBondContact O-N 2.86Å; H94-K96 PolarHBondContact O-N 2.86Å; H94-V97 WeakPolarHBondContact O-CG2 3.41Å; H94-V97 PolarHBondContact O-N 3.23Å; H94-V97 VanDerWaalsContact O-N 3.13Å; H94-V98 WeakPolarHBondContact O-CG2 3.39Å; H94-V98 PolarHBondContact O-N 3.06Å |
| 95 | K | 93.8 | Very high | 94.9 | Very high | 162 Ų | 162 | 62.5 Ų | 62.5 | 70% | 0.704 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -56.9 | -38.7 | 177.5 | -66.9 | -179.9 | 179.3 | 175.5 | 0 | 111.8 | G92 A93 L99 | G92-K95 WeakPolarHBondContact O-CB 3.19Å; G92-K95 PolarHBondContact O-N 3.39Å; G92-K95 VanDerWaalsContact O-N 3.08Å; A93-K95 PolarHBondContact O-N 3.19Å; K95-L99 WeakPolarHBondContact O-CB 3.31Å; K95-L99 PolarHBondContact O-N 2.8Å; K95-L99 VanDerWaalsContact O-N 3.17Å |
| 96 | K | 94.2 | Very high | 94.8 | Very high | 70 Ų | 70 | 69.8 Ų | 69.8 | 30% | 0.304 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.9 | -34.7 | 179.6 | -65.1 | 171.4 | -170.4 | 163.6 | 0 | 112.9 | W39 L91 G92 A93 H94 | W39-K96 HydrophobicContact CB-CB 4.41Å; W39-K96 HydrophobicContact CD2-CB 4.28Å; W39-K96 HydrophobicContact CD2-CD 3.83Å; W39-K96 HydrophobicContact CE3-CD 4.49Å; W39-K96 HydrophobicContact CG-CB 3.9Å; W39-K96 HydrophobicContact CG-CD 4.23Å; W39-K96 HydrophobicContact CH2-CD 4.27Å; W39-K96 HydrophobicContact CZ2-CD 3.59Å; W39-K96 VanDerWaalsContact CZ2-NZ 3.27Å; L91-K96 PolarHBondContact O-NZ 3.48Å; G92-K96 WeakPolarHBondContact O-CG 3.38Å; G92-K96 PolarHBondContact O-N 3.27Å; A93-K96 WeakPolarHBondContact O-CB 3.39Å; A93-K96 PolarHBondContact O-N 3.37Å; A93-K96 VanDerWaalsContact O-N 3.15Å; H94-K96 PolarHBondContact O-N 2.86Å |
| 97 | V | 95.4 | Very high | 94.7 | Very high | 15 Ų | 15 | 66.7 Ų | 66.7 | 9% | 0.091 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -77.8 | -29.9 | 178.9 | -64 | 0 | 0 | 0 | 0 | 114 | W39 R40 L43 A93 H94 | W39-V97 VanDerWaalsContact C-CG1 3.41Å; W39-V97 HydrophobicContact CB-CG1 3.38Å; R40-V97 HydrophobicContact CB-CG1 4.37Å; R40-V97 HydrophobicContact CG-CB 3.89Å; R40-V97 HydrophobicContact CG-CG1 3.67Å; R40-V97 PolarHBondContact NH2-O 2.97Å; L43-V97 HydrophobicContact CD1-CG1 3.88Å; L43-V97 HydrophobicContact CD1-CG2 4.02Å; A93-V97 PolarHBondContact O-N 2.91Å; A93-V97 VanDerWaalsContact O-N 3.1Å; H94-V97 WeakPolarHBondContact O-CG2 3.41Å; H94-V97 PolarHBondContact O-N 3.23Å; H94-V97 VanDerWaalsContact O-N 3.13Å |
| 98 | V | 94.7 | Very high | 94.6 | Very high | 36 Ų | 36 | 67.7 Ų | 67.7 | 22% | 0.218 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -91.6 | -11.5 | -178.6 | -58.7 | 0 | 0 | 0 | 0 | 113.9 | H94 S101 I102 | H94-V98 WeakPolarHBondContact O-CG2 3.39Å; H94-V98 PolarHBondContact O-N 3.06Å; V98-S101 PolarHBondContact O-N 3.09Å; V98-S101 PolarHBondContact O-OG 2.84Å; V98-I102 HydrophobicContact CB-CD1 4.1Å; V98-I102 HydrophobicContact CB-CG1 4.44Å; V98-I102 HydrophobicContact CG2-CD1 3.5Å; V98-I102 HydrophobicContact CG2-CG1 4.36Å; V98-I102 WeakPolarHBondContact O-CG1 3.5Å; V98-I102 PolarHBondContact O-N 3.44Å |
| 99 | L | 94.5 | Very high | 94.6 | Very high | 73 Ų | 73 | 71.7 Ų | 71.7 | 38% | 0.382 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -55.9 | -45.4 | -174.6 | -172.4 | 63.2 | 0 | 0 | 0 | 114.2 | L32 K95 S101 I102 I103 | L32-L99 HydrophobicContact CD1-CD2 4.03Å; L32-L99 HydrophobicContact CD1-CG 4.03Å; L32-L99 HydrophobicContact CD2-CD2 3.87Å; K95-L99 WeakPolarHBondContact O-CB 3.31Å; K95-L99 PolarHBondContact O-N 2.8Å; K95-L99 VanDerWaalsContact O-N 3.17Å; L99-S101 VanDerWaalsContact C-N 3.35Å; L99-S101 PolarHBondContact O-N 2.78Å; L99-I102 PolarHBondContact O-N 3.23Å; L99-I103 HydrophobicContact CD1-CD1 4.3Å; L99-I103 HydrophobicContact CD1-CG1 4.5Å; L99-I103 HydrophobicContact CG-CD1 4.2Å; L99-I103 WeakPolarHBondContact O-CG1 3.42Å; L99-I103 PolarHBondContact O-N 3.15Å; L99-I103 VanDerWaalsContact O-N 3.11Å |
| 100 | P | 92.8 | Very high | 94.5 | Very high | 14 Ų | 14 | 70.6 Ų | 70.6 | 9% | 0.091 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62 | -40.9 | 179 | -17.9 | 28.4 | 0 | 0 | 0 | 112.9 | L32 A36 I103 A104 | L32-P100 HydrophobicContact CB-CB 4.46Å; L32-P100 HydrophobicContact CB-CG 3.93Å; A36-P100 HydrophobicContact CB-CG 3.56Å; P100-I103 PolarHBondContact O-N 2.88Å; P100-A104 PolarHBondContact O-N 3.35Å |
| 101 | S | 92.9 | Very high | 94.4 | Very high | 55 Ų | 55 | 62.8 Ų | 62.8 | 39% | 0.385 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -71.5 | -35.1 | -179 | 53.5 | 0 | 0 | 0 | 0 | 111.9 | V98 L99 H105 | V98-S101 PolarHBondContact O-N 3.09Å; V98-S101 PolarHBondContact O-OG 2.84Å; L99-S101 VanDerWaalsContact C-N 3.35Å; L99-S101 PolarHBondContact O-N 2.78Å; S101-H105 WeakPolarHBondContact O-CB 3.4Å; S101-H105 PolarHBondContact O-N 3.21Å |
| 102 | I | 95 | Very high | 94.3 | Very high | 67 Ų | 67 | 59.3 Ų | 59.3 | 34% | 0.344 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.5 | -46 | 174 | -69 | 169.6 | 0 | 0 | 0 | 110.5 | V98 L99 H105 R106 | V98-I102 HydrophobicContact CB-CD1 4.1Å; V98-I102 HydrophobicContact CB-CG1 4.44Å; V98-I102 HydrophobicContact CG2-CD1 3.5Å; V98-I102 HydrophobicContact CG2-CG1 4.36Å; V98-I102 WeakPolarHBondContact O-CG1 3.5Å; V98-I102 PolarHBondContact O-N 3.44Å; L99-I102 PolarHBondContact O-N 3.23Å; I102-H105 PolarHBondContact O-N 3.08Å; I102-R106 HydrophobicContact CG2-CG 4.41Å; I102-R106 WeakPolarHBondContact O-CG 3.41Å; I102-R106 PolarHBondContact O-N 3.25Å |
| 103 | I | 94.9 | Very high | 94.2 | Very high | 42 Ų | 42 | 65.6 Ų | 65.6 | 22% | 0.215 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62 | -51.8 | 178.9 | -67.7 | 172.5 | 0 | 0 | 0 | 110.2 | L25 I28 L32 L99 P100 H105 R106 S107 | L25-I103 HydrophobicContact CD1-CG2 4.09Å; I28-I103 HydrophobicContact CG2-CD1 3.84Å; I28-I103 HydrophobicContact CG2-CG2 4.32Å; L32-I103 HydrophobicContact CD1-CD1 3.39Å; L99-I103 HydrophobicContact CD1-CD1 4.3Å; L99-I103 HydrophobicContact CD1-CG1 4.5Å; L99-I103 HydrophobicContact CG-CD1 4.2Å; L99-I103 WeakPolarHBondContact O-CG1 3.42Å; L99-I103 PolarHBondContact O-N 3.15Å; L99-I103 VanDerWaalsContact O-N 3.11Å; P100-I103 PolarHBondContact O-N 2.88Å; I103-H105 VanDerWaalsContact C-N 3.25Å; I103-H105 PolarHBondContact O-N 3.01Å; I103-R106 PolarHBondContact O-N 2.82Å; I103-S107 PolarHBondContact O-N 3.14Å; I103-S107 PolarHBondContact O-OG 2.7Å; I103-S107 VanDerWaalsContact O-OG 3.12Å |
| 104 | A | 94.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 73.2 Ų | 73.2 | 1% | 0.008 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.2 | -38.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I29 P100 R108 | I29-A104 HydrophobicContact CD1-CB 4.04Å; P100-A104 PolarHBondContact O-N 3.35Å; A104-R108 WeakPolarHBondContact O-CG 3.16Å; A104-R108 PolarHBondContact O-N 3.4Å |
| 105 | H | 95.5 | Very high | 94 | Very high | 104 Ų | 104 | 71.8 Ų | 71.8 | 48% | 0.481 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.8 | -44.8 | 177.1 | -178.6 | 74 | 0 | 0 | 0 | 112.6 | S101 I102 I103 S107 R108 I109 | S101-H105 WeakPolarHBondContact O-CB 3.4Å; S101-H105 PolarHBondContact O-N 3.21Å; I102-H105 PolarHBondContact O-N 3.08Å; I103-H105 VanDerWaalsContact C-N 3.25Å; I103-H105 PolarHBondContact O-N 3.01Å; H105-S107 VanDerWaalsContact C-N 3.32Å; H105-S107 PolarHBondContact O-N 3.47Å; H105-R108 WeakPolarHBondContact O-CB 3.41Å; H105-R108 PolarHBondContact O-N 2.83Å; H105-R108 VanDerWaalsContact O-N 3.15Å; H105-I109 PolarHBondContact O-N 3.36Å; H105-I109 VanDerWaalsContact O-N 3.08Å |
| 106 | R | 95.4 | Very high | 93.9 | Very high | 173 Ų | 173 | 64.8 Ų | 64.8 | 65% | 0.653 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.6 | -41.9 | 175.9 | -72.5 | 179.7 | -179.4 | -162.3 | -0.5 | 111.7 | I102 I103 R108 I109 V110 | I102-R106 HydrophobicContact CG2-CG 4.41Å; I102-R106 WeakPolarHBondContact O-CG 3.41Å; I102-R106 PolarHBondContact O-N 3.25Å; I103-R106 PolarHBondContact O-N 2.82Å; R106-R108 VanDerWaalsContact C-N 3.32Å; R106-R108 PolarHBondContact O-N 3.33Å; R106-I109 PolarHBondContact O-N 3.02Å; R106-V110 PolarHBondContact O-N 2.9Å |
| 107 | S | 95.6 | Very high | 93.9 | Very high | 19 Ų | 19 | 61.8 Ų | 61.8 | 13% | 0.133 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.7 | -42.4 | 173.7 | -60.4 | 0 | 0 | 0 | 0 | 111.5 | L25 I103 H105 I109 V110 L111 | L25-S107 WeakPolarHBondContact CD1-OG 3.17Å; I103-S107 PolarHBondContact O-N 3.14Å; I103-S107 PolarHBondContact O-OG 2.7Å; I103-S107 VanDerWaalsContact O-OG 3.12Å; H105-S107 VanDerWaalsContact C-N 3.32Å; H105-S107 PolarHBondContact O-N 3.47Å; S107-I109 VanDerWaalsContact C-N 3.33Å; S107-I109 PolarHBondContact O-N 2.92Å; S107-V110 PolarHBondContact O-N 3.31Å; S107-L111 VanDerWaalsContact O-CB 3.29Å; S107-L111 WeakPolarHBondContact O-CB 3.49Å; S107-L111 WeakPolarHBondContact O-CG 3.33Å; S107-L111 PolarHBondContact O-N 2.78Å |
| 108 | R | 95.5 | Very high | 93.9 | Very high | 64 Ų | 64 | 61.3 Ų | 61.3 | 24% | 0.242 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.7 | -37.9 | 175.2 | -79.1 | -176 | -75.3 | -100.3 | 6.2 | 113.6 | A104 H105 R106 A112 C118 N120 | A104-R108 WeakPolarHBondContact O-CG 3.16Å; A104-R108 PolarHBondContact O-N 3.4Å; H105-R108 WeakPolarHBondContact O-CB 3.41Å; H105-R108 PolarHBondContact O-N 2.83Å; H105-R108 VanDerWaalsContact O-N 3.15Å; R106-R108 VanDerWaalsContact C-N 3.32Å; R106-R108 PolarHBondContact O-N 3.33Å; R108-A112 WeakPolarHBondContact O-CB 3.29Å; R108-A112 PolarHBondContact O-N 3.33Å; R108-C118 WeakPolarHBondContact CD-O 3.38Å; R108-C118 WeakPolarHBondContact CG-O 3.42Å; R108-C118 PolarHBondContact NH1-O 3.29Å; R108-C118 VanDerWaalsContact NH1-O 3.09Å; R108-N120 PolarHBondContact NH1-OD1 3.01Å; R108-N120 PolarHBondContact NH2-OD1 3.32Å |
| 109 | I | 95.7 | Very high | 93.8 | Very high | 95 Ų | 95 | 62 Ų | 62 | 49% | 0.487 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.7 | -50.7 | 177.7 | -66.8 | 169.1 | 0 | 0 | 0 | 109.7 | H105 R106 S107 A112 | H105-I109 PolarHBondContact O-N 3.36Å; H105-I109 VanDerWaalsContact O-N 3.08Å; R106-I109 PolarHBondContact O-N 3.02Å; S107-I109 VanDerWaalsContact C-N 3.33Å; S107-I109 PolarHBondContact O-N 2.92Å; I109-A112 WeakPolarHBondContact O-CB 3.33Å; I109-A112 PolarHBondContact O-N 3.04Å |
| 110 | V | 94 | Very high | 93.7 | Very high | 84 Ų | 84 | 64.2 Ų | 64.2 | 51% | 0.509 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.8 | -43.9 | 179.8 | 178.2 | 0 | 0 | 0 | 0 | 111.3 | R106 S107 A112 E113 Y114 | R106-V110 PolarHBondContact O-N 2.9Å; S107-V110 PolarHBondContact O-N 3.31Å; V110-A112 PolarHBondContact O-N 3.37Å; V110-E113 PolarHBondContact O-N 3.11Å; V110-Y114 WeakPolarHBondContact O-CD2 3.35Å |
| 111 | L | 94.1 | Very high | 93.6 | Very high | 11 Ų | 11 | 65.3 Ų | 65.3 | 6% | 0.058 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.2 | -27 | 180 | -72 | 171.9 | 0 | 0 | 0 | 113.1 | F21 S107 E113 Y114 M116 C118 L124 | F21-L111 HydrophobicContact CE1-CD1 4.3Å; F21-L111 HydrophobicContact CE1-CD2 4.09Å; F21-L111 HydrophobicContact CE1-CG 4.5Å; S107-L111 VanDerWaalsContact O-CB 3.29Å; S107-L111 WeakPolarHBondContact O-CB 3.49Å; S107-L111 WeakPolarHBondContact O-CG 3.33Å; S107-L111 PolarHBondContact O-N 2.78Å; L111-E113 PolarHBondContact O-N 3.17Å; L111-Y114 PolarHBondContact O-N 2.91Å; L111-M116 CarbonylContact C-O 3.51Å; L111-M116 HydrophobicContact CB-CB 3.92Å; L111-M116 HydrophobicContact CD2-CB 4.02Å; L111-M116 HydrophobicContact CD2-CE 4.46Å; L111-M116 HydrophobicContact CD2-SD 4.46Å; L111-M116 HydrophobicContact CG-CB 4.48Å; L111-M116 CarbonylContact O-C 3.6Å; L111-M116 WeakPolarHBondContact O-CA 3.28Å; L111-M116 WeakPolarHBondContact O-CB 3.05Å; L111-M116 PolarHBondContact O-N 3Å; L111-C118 HydrophobicContact CD1-CB 3.8Å; L111-L124 HydrophobicContact CD1-CD2 3.53Å; L111-L124 HydrophobicContact CD2-CD2 4.04Å; L111-L124 HydrophobicContact CG-CD2 4.46Å |
| 112 | A | 92.3 | Very high | 93.5 | Very high | 45 Ų | 45 | 62.7 Ų | 62.7 | 37% | 0.372 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.4 | -31.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R108 I109 V110 Y114 N115 M116 | R108-A112 WeakPolarHBondContact O-CB 3.29Å; R108-A112 PolarHBondContact O-N 3.33Å; I109-A112 WeakPolarHBondContact O-CB 3.33Å; I109-A112 PolarHBondContact O-N 3.04Å; V110-A112 PolarHBondContact O-N 3.37Å; A112-Y114 PolarHBondContact O-N 3.32Å; A112-N115 PolarHBondContact O-N 2.96Å; A112-M116 WeakPolarHBondContact CA-O 3.42Å; A112-M116 PolarHBondContact N-O 2.78Å |
| 113 | E | 91.5 | Very high | 93.5 | Very high | 146 Ų | 146 | 64.6 Ų | 64.6 | 68% | 0.682 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -25.6 | 175.7 | -61.5 | 178.1 | -170.5 | 0 | 0 | 112.3 | V110 L111 | V110-E113 PolarHBondContact O-N 3.11Å; L111-E113 PolarHBondContact O-N 3.17Å |
| 114 | Y | 90.4 | Very high | 93.5 | Very high | 161 Ų | 161 | 63.6 Ų | 63.6 | 63% | 0.631 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | 14.9 | -178.6 | -60.1 | -81 | 0 | 0 | 0 | 113.3 | V110 L111 A112 M116 | V110-Y114 WeakPolarHBondContact O-CD2 3.35Å; L111-Y114 PolarHBondContact O-N 2.91Å; A112-Y114 PolarHBondContact O-N 3.32Å; Y114-M116 WeakPolarHBondContact O-CG 3.4Å; Y114-M116 PolarHBondContact O-N 2.87Å |
| 115 | N | 91.3 | Very high | 93.4 | Very high | 71 Ų | 71 | 67.4 Ų | 67.4 | 38% | 0.38 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 37.7 | -170 | -59.2 | -67.9 | 0 | 0 | 0 | 112.2 | A112 R127 | A112-N115 PolarHBondContact O-N 2.96Å; N115-R127 WeakPolarHBondContact O-CA 3.45Å; N115-R127 VanDerWaalsContact O-CB 3.25Å; N115-R127 WeakPolarHBondContact O-CB 3.44Å; N115-R127 PolarHBondContact O-N 2.98Å |
| 116 | M | 93.1 | Very high | 93.2 | Very high | 14 Ų | 14 | 68.7 Ų | 68.7 | 7% | 0.069 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 164.5 | 176.2 | -60.1 | -173.8 | 61.8 | 0 | 0 | 110.2 | L18 L111 A112 Y114 L124 I125 L126 | L18-M116 HydrophobicContact CD1-CE 4.19Å; L18-M116 HydrophobicContact CD1-SD 4.29Å; L18-M116 HydrophobicContact CD2-CE 3.72Å; L18-M116 HydrophobicContact CD2-SD 3.84Å; L111-M116 CarbonylContact C-O 3.51Å; L111-M116 HydrophobicContact CB-CB 3.92Å; L111-M116 HydrophobicContact CD2-CB 4.02Å; L111-M116 HydrophobicContact CD2-CE 4.46Å; L111-M116 HydrophobicContact CD2-SD 4.46Å; L111-M116 HydrophobicContact CG-CB 4.48Å; L111-M116 CarbonylContact O-C 3.6Å; L111-M116 WeakPolarHBondContact O-CA 3.28Å; L111-M116 WeakPolarHBondContact O-CB 3.05Å; L111-M116 PolarHBondContact O-N 3Å; A112-M116 WeakPolarHBondContact CA-O 3.42Å; A112-M116 PolarHBondContact N-O 2.78Å; Y114-M116 WeakPolarHBondContact O-CG 3.4Å; Y114-M116 PolarHBondContact O-N 2.87Å; M116-L124 HydrophobicContact CE-CB 4.13Å; M116-L124 HydrophobicContact CE-CD1 3.82Å; M116-L124 HydrophobicContact CE-CD2 4.24Å; M116-L124 HydrophobicContact CE-CG 4.3Å; M116-I125 CarbonylContact C-O 3.46Å; M116-I125 WeakPolarHBondContact CA-O 3.46Å; M116-L126 HydrophobicContact CE-CD2 3.68Å; M116-L126 HydrophobicContact CG-CD2 3.89Å; M116-L126 HydrophobicContact SD-CD2 3.99Å |
| 117 | A | 94.3 | Very high | 92.8 | Very high | 8 Ų | 8 | 67 Ų | 67 | 7% | 0.066 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 173.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | L124 I125 | A117-L124 CarbonylContact O-C 3.5Å; A117-L124 WeakPolarHBondContact O-CA 3.47Å; A117-I125 HydrophobicContact CB-CB 4.39Å; A117-I125 PolarHBondContact N-O 2.85Å; A117-I125 PolarHBondContact O-N 3.22Å |
| 118 | C | 94.4 | Very high | 92.2 | Very high | 4 Ų | 4 | 71.7 Ų | 71.7 | 3% | 0.027 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 148.6 | 166.3 | 72.6 | 0 | 0 | 0 | 0 | 112.1 | L25 R108 L111 K123 L124 | L25-C118 HydrophobicContact CD2-CB 4.05Å; R108-C118 WeakPolarHBondContact CD-O 3.38Å; R108-C118 WeakPolarHBondContact CG-O 3.42Å; R108-C118 PolarHBondContact NH1-O 3.29Å; R108-C118 VanDerWaalsContact NH1-O 3.09Å; L111-C118 HydrophobicContact CD1-CB 3.8Å; C118-K123 CarbonylContact C-O 3.42Å; C118-K123 WeakPolarHBondContact CA-O 3.49Å; C118-K123 VanDerWaalsContact CB-O 3.28Å; C118-K123 WeakPolarHBondContact CB-O 3.35Å; C118-L124 HydrophobicContact CB-CD2 4.28Å |
| 119 | D | 93.4 | Very high | 91.2 | Very high | 51 Ų | 51 | 76.4 Ų | 76.4 | 27% | 0.273 | 39% | 0.387 | S | S | . | . | trans | -75.4 | -179.3 | 172.5 | 73.9 | 12.3 | 0 | 0 | 0 | 111.7 | S121 G122 K123 I125 | D119-S121 VanDerWaalsContact CG-OG 3.23Å; D119-S121 PolarHBondContact O-N 2.75Å; D119-S121 VanDerWaalsContact OD1-CA 3.25Å; D119-S121 WeakPolarHBondContact OD1-CA 3.23Å; D119-S121 WeakPolarHBondContact OD1-CB 3.32Å; D119-S121 PolarHBondContact OD1-N 2.96Å; D119-S121 PolarHBondContact OD1-OG 2.83Å; D119-S121 PolarHBondContact OD2-OG 3.06Å; D119-S121 VanDerWaalsContact OD2-OG 3.06Å; D119-G122 PolarHBondContact O-N 3.49Å; D119-G122 PolarHBondContact OD1-N 2.99Å; D119-K123 HydrophobicContact CB-CB 4.47Å; D119-K123 PolarHBondContact N-O 3.25Å; D119-K123 WeakPolarHBondContact OD1-CB 3.42Å; D119-K123 PolarHBondContact OD1-N 3.02Å; D119-K123 WeakPolarHBondContact OD2-CB 3.38Å; D119-I125 HydrophobicContact CB-CD1 4.2Å | ||
| 120 | N | 91.1 | Very high | 90.1 | Very high | 119 Ų | 119 | 75.9 Ų | 75.9 | 64% | 0.636 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -7.2 | 178.5 | -67.4 | -30.6 | 0 | 0 | 0 | 113.9 | I29 R108 | I29-N120 WeakPolarHBondContact CG2-O 3.49Å; R108-N120 PolarHBondContact NH1-OD1 3.01Å; R108-N120 PolarHBondContact NH2-OD1 3.32Å |
| 121 | S | 91.2 | Very high | 89 | Confident | 38 Ų | 38 | 79.5 Ų | 79.5 | 27% | 0.266 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -8.4 | 171.8 | 80.4 | 0 | 0 | 0 | 0 | 112.7 | R26 D119 | R26-S121 WeakPolarHBondContact CG-O 3.48Å; R26-S121 PolarHBondContact NH1-OG 3.49Å; D119-S121 VanDerWaalsContact CG-OG 3.23Å; D119-S121 PolarHBondContact O-N 2.75Å; D119-S121 VanDerWaalsContact OD1-CA 3.25Å; D119-S121 WeakPolarHBondContact OD1-CA 3.23Å; D119-S121 WeakPolarHBondContact OD1-CB 3.32Å; D119-S121 PolarHBondContact OD1-N 2.96Å; D119-S121 PolarHBondContact OD1-OG 2.83Å; D119-S121 PolarHBondContact OD2-OG 3.06Å; D119-S121 VanDerWaalsContact OD2-OG 3.06Å |
| 122 | G | 91.5 | Very high | 87 | Confident | 0 Ų | 0 | 90.4 Ų | 90.4 | 0% | 0 | 46% | 0.463 | C | S | . | . | trans | 90.6 | 6.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | D119 L124 | D119-G122 PolarHBondContact O-N 3.49Å; D119-G122 PolarHBondContact OD1-N 2.99Å; G122-L124 PolarHBondContact O-N 2.72Å | ||
| 123 | K | 94.1 | Very high | 86.8 | Confident | 106 Ų | 106 | 92.7 Ų | 92.7 | 46% | 0.461 | 47% | 0.468 | S | S | . | . | trans | -63.6 | 132.1 | 173.9 | -170.1 | 163.4 | -174.5 | 177.8 | 0 | 110 | R26 C118 D119 | R26-K123 VanDerWaalsContact NH2-CD 3.35Å; C118-K123 CarbonylContact C-O 3.42Å; C118-K123 WeakPolarHBondContact CA-O 3.49Å; C118-K123 VanDerWaalsContact CB-O 3.28Å; C118-K123 WeakPolarHBondContact CB-O 3.35Å; D119-K123 HydrophobicContact CB-CB 4.47Å; D119-K123 PolarHBondContact N-O 3.25Å; D119-K123 WeakPolarHBondContact OD1-CB 3.42Å; D119-K123 PolarHBondContact OD1-N 3.02Å; D119-K123 WeakPolarHBondContact OD2-CB 3.38Å | ||
| 124 | L | 95 | Very high | 86.5 | Confident | 22 Ų | 22 | 89.9 Ų | 89.9 | 12% | 0.115 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 140.9 | 172.1 | -65.5 | 178.5 | 0 | 0 | 0 | 111 | L18 F21 E22 L111 M116 A117 C118 G122 | L18-L124 HydrophobicContact CB-CD1 4.3Å; L18-L124 HydrophobicContact CD2-CD1 4.3Å; L18-L124 WeakPolarHBondContact O-CD1 3.25Å; F21-L124 HydrophobicContact CD1-CD1 4.09Å; F21-L124 HydrophobicContact CD1-CD2 3.98Å; F21-L124 HydrophobicContact CD1-CG 4.47Å; F21-L124 HydrophobicContact CE1-CD2 3.94Å; E22-L124 HydrophobicContact CB-CD1 3.79Å; E22-L124 HydrophobicContact CB-CG 3.83Å; E22-L124 HydrophobicContact CG-CG 4.14Å; L111-L124 HydrophobicContact CD1-CD2 3.53Å; L111-L124 HydrophobicContact CD2-CD2 4.04Å; L111-L124 HydrophobicContact CG-CD2 4.46Å; M116-L124 HydrophobicContact CE-CB 4.13Å; M116-L124 HydrophobicContact CE-CD1 3.82Å; M116-L124 HydrophobicContact CE-CD2 4.24Å; M116-L124 HydrophobicContact CE-CG 4.3Å; A117-L124 CarbonylContact O-C 3.5Å; A117-L124 WeakPolarHBondContact O-CA 3.47Å; C118-L124 HydrophobicContact CB-CD2 4.28Å; G122-L124 PolarHBondContact O-N 2.72Å |
| 125 | I | 92.3 | Very high | 86.3 | Confident | 81 Ų | 81 | 85.9 Ų | 85.9 | 42% | 0.415 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 117.7 | 177.4 | -59.2 | 169.5 | 0 | 0 | 0 | 106.6 | M116 A117 D119 | M116-I125 CarbonylContact C-O 3.46Å; M116-I125 WeakPolarHBondContact CA-O 3.46Å; A117-I125 HydrophobicContact CB-CB 4.39Å; A117-I125 PolarHBondContact N-O 2.85Å; A117-I125 PolarHBondContact O-N 3.22Å; D119-I125 HydrophobicContact CB-CD1 4.2Å |
| 126 | L | 91.1 | Very high | 86 | Confident | 131 Ų | 131 | 86.8 Ų | 86.8 | 69% | 0.686 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 129.6 | 171.8 | -62.4 | 173.8 | 0 | 0 | 0 | 108.6 | M116 | M116-L126 HydrophobicContact CE-CD2 3.68Å; M116-L126 HydrophobicContact CG-CD2 3.89Å; M116-L126 HydrophobicContact SD-CD2 3.99Å |
| 127 | R | 87 | Confident | 85.5 | Confident | 136 Ų | 136 | 91.4 Ų | 91.4 | 51% | 0.513 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -92 | 146.4 | 171.5 | -61.1 | -176.1 | 172.7 | 179.3 | 0.3 | 108.9 | N115 K129 | N115-R127 WeakPolarHBondContact O-CA 3.45Å; N115-R127 VanDerWaalsContact O-CB 3.25Å; N115-R127 WeakPolarHBondContact O-CB 3.44Å; N115-R127 PolarHBondContact O-N 2.98Å; R127-K129 PolarHBondContact O-N 2.72Å |
| 128 | P | 82.9 | Confident | 85 | Confident | 118 Ų | 118 | 96.9 Ų | 96.9 | 77% | 0.766 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 141.9 | 172.9 | 23.9 | -31.6 | 0 | 0 | 0 | 109.6 | ||
| 129 | K | 75.2 | Confident | 84.3 | Confident | 163 Ų | 163 | 103.6 Ų | 103.6 | 71% | 0.709 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 134.7 | 172.9 | -170.6 | 176.8 | -179.8 | -179.6 | 0 | 108 | R127 N131 | R127-K129 PolarHBondContact O-N 2.72Å; K129-N131 PolarHBondContact O-N 3.2Å |
| 130 | P | 71.2 | Confident | 83.6 | Confident | 85 Ų | 85 | 107.6 Ų | 107.6 | 55% | 0.552 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -57 | 118.8 | 172.6 | 19.5 | -28 | 0 | 0 | 0 | 108.2 | L132 | P130-L132 PolarHBondContact O-N 3.04Š|
| 131 | N | 71.2 | Confident | 83 | Confident | 160 Ų | 160 | 106.7 Ų | 106.7 | 86% | 0.856 | 55% | 0.55 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 116.2 | 172.3 | -64.6 | -28.8 | 0 | 0 | 0 | 106.4 | K129 | K129-N131 PolarHBondContact O-N 3.2Š|
| 132 | L | 53 | Low | 82.2 | Confident | 240 Ų | 240 | 112.9 Ų | 112.9 | 100% | 1.257 | 58% | 0.575 | S | S | * | * | trans | -67.9 | 0 | 162.9 | -86.7 | 144 | 0 | 0 | 0 | 109.1 | P130 | P130-L132 PolarHBondContact O-N 3.04Š|
Retrieved 132 of 132 residues in 231.8 ms
(Link to these results)