| 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 | 29.5 | Very low | 52.1 | Low | 229 Ų | 229 | 107.6 Ų | 107.6 | 100% | 1.128 | 57% | 0.572 | S | S | * | * | 0 | 92.8 | 0 | -170.2 | 174 | -73.1 | 0 | 0 | 103.4 | |||||
| 2 | E | 34 | Very low | 54.9 | Low | 191 Ų | 191 | 107.6 Ų | 107.6 | 89% | 0.893 | 57% | 0.571 | S | S | * | * | trans | 39 | 75.1 | -155.9 | -67.9 | -178.9 | -174 | 0 | 0 | 113.7 | E4 | E2-E4 PolarHBondContact O-N 3.48Å; E2-E4 VanDerWaalsContact O-N 3.14Å | ||
| 3 | E | 33.3 | Very low | 57.3 | Low | 183 Ų | 183 | 100.5 Ų | 100.5 | 86% | 0.855 | 53% | 0.534 | S | S | * | . | trans | -61.4 | 116 | 159.8 | -74.6 | -177.8 | 169 | 0 | 0 | 106.6 | P5 | E3-P5 VanDerWaalsContact O-CD 3.26Å; E3-P5 WeakPolarHBondContact O-CD 3.42Å | ||
| 4 | E | 41.3 | Very low | 59.4 | Low | 125 Ų | 125 | 98.3 Ų | 98.3 | 58% | 0.584 | 52% | 0.519 | S | S | * | . | trans | -51.6 | 113.1 | -178.2 | -70.3 | -165.2 | 161.6 | 0 | 0 | 109.6 | E2 M6 L7 | E2-E4 PolarHBondContact O-N 3.48Å; E2-E4 VanDerWaalsContact O-N 3.14Å; E4-M6 PolarHBondContact O-N 3.19Å; E4-L7 HydrophobicContact CB-CB 4.41Å; E4-L7 PolarHBondContact O-N 3.17Å; E4-L7 VanDerWaalsContact O-N 3.14Å | ||
| 5 | P | 45.5 | Very low | 61.3 | Low | 124 Ų | 124 | 99.1 Ų | 99.1 | 81% | 0.805 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -10.2 | -178.4 | 24.6 | -33.2 | 0 | 0 | 0 | 112.8 | E3 | E3-P5 VanDerWaalsContact O-CD 3.26Å; E3-P5 WeakPolarHBondContact O-CD 3.42Å |
| 6 | M | 48.8 | Very low | 62.8 | Low | 48 Ų | 48 | 99.8 Ų | 99.8 | 24% | 0.236 | 52% | 0.516 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -31.5 | -179.5 | -63.6 | -68.5 | -78 | 0 | 0 | 113 | E4 G9 V10 I94 | E4-M6 PolarHBondContact O-N 3.19Å; M6-G9 PolarHBondContact O-N 3.45Å; M6-G9 VanDerWaalsContact O-N 3.15Å; M6-V10 PolarHBondContact O-N 3.02Å; M6-I94 HydrophobicContact CE-CB 4.15Å; M6-I94 HydrophobicContact CE-CG1 3.89Å; M6-I94 HydrophobicContact CE-CG2 3.75Å |
| 7 | L | 46.9 | Very low | 64.2 | Low | 83 Ų | 83 | 95.7 Ų | 95.7 | 44% | 0.435 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -70.4 | -42.1 | -171 | -138.2 | 126.7 | 0 | 0 | 0 | 111.4 | E4 G9 V10 | E4-L7 HydrophobicContact CB-CB 4.41Å; E4-L7 PolarHBondContact O-N 3.17Å; E4-L7 VanDerWaalsContact O-N 3.14Å; L7-G9 PolarHBondContact O-N 3.38Å; L7-V10 PolarHBondContact O-N 3.33Å |
| 8 | G | 51.1 | Low | 65.4 | Low | 42 Ų | 42 | 98.7 Ų | 98.7 | 43% | 0.433 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.7 | -20.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L12 | G8-L12 WeakPolarHBondContact O-CD1 3.45Å; G8-L12 VanDerWaalsContact O-CG 3.26Å; G8-L12 WeakPolarHBondContact O-CG 3.39Å |
| 9 | G | 75 | Confident | 66.2 | Low | 30 Ų | 30 | 102.4 Ų | 102.4 | 31% | 0.309 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -71.1 | -36.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | M6 L7 L13 | M6-G9 PolarHBondContact O-N 3.45Å; M6-G9 VanDerWaalsContact O-N 3.15Å; L7-G9 PolarHBondContact O-N 3.38Å; G9-L13 VanDerWaalsContact O-CG 3.27Å; G9-L13 WeakPolarHBondContact O-CG 3.31Å; G9-L13 PolarHBondContact O-N 3.35Å |
| 10 | V | 83.2 | Confident | 66.9 | Low | 10 Ų | 10 | 99.2 Ų | 99.2 | 6% | 0.061 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -69 | -50.3 | -177.6 | 179.4 | 0 | 0 | 0 | 0 | 111.3 | M6 L7 L12 L13 E14 L30 A33 Y34 | M6-V10 PolarHBondContact O-N 3.02Å; L7-V10 PolarHBondContact O-N 3.33Å; V10-L12 VanDerWaalsContact C-N 3.27Å; V10-L12 PolarHBondContact O-N 3.27Å; V10-L13 PolarHBondContact O-N 2.73Å; V10-E14 HydrophobicContact CG1-CG 4.19Å; V10-E14 WeakPolarHBondContact O-CG 3.47Å; V10-E14 PolarHBondContact O-N 3.18Å; V10-L30 HydrophobicContact CG1-CD1 3.9Å; V10-A33 HydrophobicContact CG2-CB 3.35Å; V10-Y34 HydrophobicContact CG1-CE1 4.04Å |
| 11 | E | 84.7 | Confident | 67.3 | Low | 119 Ų | 119 | 103.9 Ų | 103.9 | 56% | 0.556 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -56.8 | -42.3 | -180 | -67 | 179.3 | 172.3 | 0 | 0 | 111.6 | L13 E14 E15 | E11-L13 PolarHBondContact O-N 3.07Å; E11-E14 PolarHBondContact O-N 2.93Å; E11-E15 WeakPolarHBondContact O-CG 3.4Å; E11-E15 PolarHBondContact O-N 3.45Å |
| 12 | L | 85.5 | Confident | 69.8 | Low | 107 Ų | 107 | 93.6 Ų | 93.6 | 56% | 0.56 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.1 | -37 | 177.1 | -68.2 | 175.2 | 0 | 0 | 0 | 113 | G8 V10 K16 | G8-L12 WeakPolarHBondContact O-CD1 3.45Å; G8-L12 VanDerWaalsContact O-CG 3.26Å; G8-L12 WeakPolarHBondContact O-CG 3.39Å; V10-L12 VanDerWaalsContact C-N 3.27Å; V10-L12 PolarHBondContact O-N 3.27Å; L12-K16 WeakPolarHBondContact O-CB 3.38Å; L12-K16 VanDerWaalsContact O-CG 3.31Å; L12-K16 WeakPolarHBondContact O-CG 3.46Å; L12-K16 PolarHBondContact O-N 3.17Å; L12-K16 VanDerWaalsContact O-N 3.11Å |
| 13 | L | 85.9 | Confident | 72.3 | Confident | 16 Ų | 16 | 87.1 Ų | 87.1 | 8% | 0.084 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -71.9 | -37.8 | 176.5 | -72.3 | 173 | 0 | 0 | 0 | 111.3 | G9 V10 E11 K16 E17 E26 E29 L30 | G9-L13 VanDerWaalsContact O-CG 3.27Å; G9-L13 WeakPolarHBondContact O-CG 3.31Å; G9-L13 PolarHBondContact O-N 3.35Å; V10-L13 PolarHBondContact O-N 2.73Å; E11-L13 PolarHBondContact O-N 3.07Å; L13-K16 PolarHBondContact O-N 3.17Å; L13-E17 PolarHBondContact O-N 2.97Å; L13-E26 HydrophobicContact CD2-CB 3.85Å; L13-E26 HydrophobicContact CD2-CG 3.83Å; L13-E29 HydrophobicContact CD1-CB 4.13Å; L13-L30 HydrophobicContact CB-CB 4.45Å; L13-L30 HydrophobicContact CB-CD1 3.99Å; L13-L30 HydrophobicContact CD1-CB 4.14Å |
| 14 | E | 87.3 | Confident | 74.7 | Confident | 69 Ų | 69 | 80.9 Ų | 80.9 | 32% | 0.322 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.2 | -45.9 | 174.2 | -70.6 | -177.8 | 172.1 | 0 | 0 | 111.7 | V10 E11 K16 E17 L18 L30 Y34 | V10-E14 HydrophobicContact CG1-CG 4.19Å; V10-E14 WeakPolarHBondContact O-CG 3.47Å; V10-E14 PolarHBondContact O-N 3.18Å; E11-E14 PolarHBondContact O-N 2.93Å; E14-K16 VanDerWaalsContact C-N 3.33Å; E14-K16 PolarHBondContact O-N 3.03Å; E14-E17 WeakPolarHBondContact O-CB 3.4Å; E14-E17 PolarHBondContact O-N 3.47Å; E14-E17 VanDerWaalsContact O-N 3.14Å; E14-L18 WeakPolarHBondContact O-CG 3.44Å; E14-L18 PolarHBondContact O-N 3.16Å; E14-L30 HydrophobicContact CG-CD1 4.19Å; E14-Y34 WeakPolarHBondContact OE1-CE1 3.48Å; E14-Y34 PolarHBondContact OE1-OH 3.03Å |
| 15 | E | 87.5 | Confident | 76.9 | Confident | 111 Ų | 111 | 80.2 Ų | 80.2 | 52% | 0.519 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 175.9 | -76.7 | -173.7 | 166.3 | 0 | 0 | 111.6 | E11 E17 L18 H19 | E11-E15 WeakPolarHBondContact O-CG 3.4Å; E11-E15 PolarHBondContact O-N 3.45Å; E15-E17 VanDerWaalsContact C-N 3.31Å; E15-E17 PolarHBondContact O-N 3.42Å; E15-L18 WeakPolarHBondContact O-CB 3.08Å; E15-L18 PolarHBondContact O-N 2.93Å; E15-L18 VanDerWaalsContact O-N 3.16Å; E15-H19 PolarHBondContact O-CD2 3.11Å; E15-H19 PolarHBondContact O-N 3.23Å; E15-H19 VanDerWaalsContact O-N 3.11Å |
| 16 | K | 85.8 | Confident | 78.9 | Confident | 109 Ų | 109 | 76.3 Ų | 76.3 | 47% | 0.474 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.6 | -38.5 | 174.9 | -79.8 | 176.4 | 172.4 | -175.4 | 0 | 112.5 | L12 L13 E14 L18 H19 G20 L22 E26 | L12-K16 WeakPolarHBondContact O-CB 3.38Å; L12-K16 VanDerWaalsContact O-CG 3.31Å; L12-K16 WeakPolarHBondContact O-CG 3.46Å; L12-K16 PolarHBondContact O-N 3.17Å; L12-K16 VanDerWaalsContact O-N 3.11Å; L13-K16 PolarHBondContact O-N 3.17Å; E14-K16 VanDerWaalsContact C-N 3.33Å; E14-K16 PolarHBondContact O-N 3.03Å; K16-L18 VanDerWaalsContact C-N 3.3Å; K16-L18 PolarHBondContact O-N 3.34Å; K16-H19 PolarHBondContact O-N 2.97Å; K16-G20 PolarHBondContact O-N 3.48Å; K16-L22 HydrophobicContact CB-CD2 3.49Å; K16-L22 VanDerWaalsContact CB-CD2 3.49Å; K16-L22 HydrophobicContact CD-CD2 4.35Å; K16-E26 IonicContact NZ-OE1 2.84Å; K16-E26 PolarHBondContact NZ-OE1 2.98Å |
| 17 | E | 86.5 | Confident | 80.9 | Confident | 31 Ų | 31 | 74.6 Ų | 74.6 | 15% | 0.145 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.7 | -33.9 | 175.6 | -160.7 | -171.1 | -174.9 | 0 | 0 | 111.8 | L13 E14 E15 H19 G20 L22 Y27 R49 | L13-E17 PolarHBondContact O-N 2.97Å; E14-E17 WeakPolarHBondContact O-CB 3.4Å; E14-E17 PolarHBondContact O-N 3.47Å; E14-E17 VanDerWaalsContact O-N 3.14Å; E15-E17 VanDerWaalsContact C-N 3.31Å; E15-E17 PolarHBondContact O-N 3.42Å; E17-H19 VanDerWaalsContact C-N 3.29Å; E17-H19 PolarHBondContact O-N 3.05Å; E17-G20 CarbonylContact C-O 3.59Å; E17-G20 PolarHBondContact O-N 3.21Å; E17-L22 HydrophobicContact CB-CD1 3.87Å; E17-L22 HydrophobicContact CB-CD2 4.48Å; E17-L22 HydrophobicContact CB-CG 3.93Å; E17-L22 HydrophobicContact CG-CD1 4.12Å; E17-L22 HydrophobicContact CG-CG 4.17Å; E17-Y27 HydrophobicContact CG-CE1 4.31Å; E17-R49 IonicContact OE1-CZ 3.04Å; E17-R49 IonicContact OE1-NE 3.83Å; E17-R49 PolarHBondContact OE1-NE 2.85Å; E17-R49 IonicContact OE1-NH2 2.73Å; E17-R49 PolarHBondContact OE1-NH2 3.28Å; E17-R49 IonicContact OE2-CZ 3.61Å; E17-R49 IonicContact OE2-NH2 2.69Å; E17-R49 PolarHBondContact OE2-NH2 3.44Å |
| 18 | L | 84.9 | Confident | 82.9 | Confident | 150 Ų | 150 | 71 Ų | 71 | 79% | 0.785 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -66.8 | -33.3 | 173.6 | -69.9 | 169.2 | 0 | 0 | 0 | 112.1 | E14 E15 K16 | E14-L18 WeakPolarHBondContact O-CG 3.44Å; E14-L18 PolarHBondContact O-N 3.16Å; E15-L18 WeakPolarHBondContact O-CB 3.08Å; E15-L18 PolarHBondContact O-N 2.93Å; E15-L18 VanDerWaalsContact O-N 3.16Å; K16-L18 VanDerWaalsContact C-N 3.3Å; K16-L18 PolarHBondContact O-N 3.34Å |
| 19 | H | 81.1 | Confident | 84.8 | Confident | 169 Ų | 169 | 71.6 Ų | 71.6 | 78% | 0.782 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -83.4 | -8.9 | 180 | -69.9 | -55.3 | 0 | 0 | 0 | 114.5 | E15 K16 E17 | E15-H19 PolarHBondContact O-CD2 3.11Å; E15-H19 PolarHBondContact O-N 3.23Å; E15-H19 VanDerWaalsContact O-N 3.11Å; K16-H19 PolarHBondContact O-N 2.97Å; E17-H19 VanDerWaalsContact C-N 3.29Å; E17-H19 PolarHBondContact O-N 3.05Å |
| 20 | G | 79.7 | Confident | 85.6 | Confident | 37 Ų | 37 | 70.2 Ų | 70.2 | 38% | 0.381 | 35% | 0.348 | S | S | . | . | S | Bend | trans | 166.7 | -152.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | K16 E17 | K16-G20 PolarHBondContact O-N 3.48Å; E17-G20 CarbonylContact C-O 3.59Å; E17-G20 PolarHBondContact O-N 3.21Å |
| 21 | F | 76.6 | Confident | 86 | Confident | 199 Ų | 199 | 69.7 Ų | 69.7 | 87% | 0.873 | 35% | 0.345 | S | S | * | . | P | Polyproline II helix | trans | -93.3 | 127.5 | 177 | -62.7 | -81 | 0 | 0 | 0 | 110.1 | ||
| 22 | L | 81.8 | Confident | 86.4 | Confident | 12 Ų | 12 | 64 Ų | 64 | 6% | 0.063 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 153.5 | 169 | -64.4 | 178.2 | 0 | 0 | 0 | 111.2 | K16 E17 E26 Y27 L30 | K16-L22 HydrophobicContact CB-CD2 3.49Å; K16-L22 VanDerWaalsContact CB-CD2 3.49Å; K16-L22 HydrophobicContact CD-CD2 4.35Å; E17-L22 HydrophobicContact CB-CD1 3.87Å; E17-L22 HydrophobicContact CB-CD2 4.48Å; E17-L22 HydrophobicContact CB-CG 3.93Å; E17-L22 HydrophobicContact CG-CD1 4.12Å; E17-L22 HydrophobicContact CG-CG 4.17Å; L22-E26 HydrophobicContact CB-CB 3.97Å; L22-E26 HydrophobicContact CD1-CB 4.42Å; L22-E26 HydrophobicContact CD2-CB 4.22Å; L22-E26 HydrophobicContact CG-CB 4.45Å; L22-Y27 HydrophobicContact CB-CD1 4.21Å; L22-Y27 HydrophobicContact CB-CD2 3.79Å; L22-Y27 HydrophobicContact CB-CE1 4.03Å; L22-Y27 HydrophobicContact CB-CE2 3.6Å; L22-Y27 HydrophobicContact CB-CG 4.08Å; L22-Y27 HydrophobicContact CD1-CD1 3.95Å; L22-Y27 HydrophobicContact CD1-CE1 3.91Å; L22-Y27 HydrophobicContact CD1-CG 4.46Å; L22-Y27 HydrophobicContact CG-CE1 4.31Å; L22-Y27 WeakPolarHBondContact O-CE2 3.31Å; L22-L30 HydrophobicContact CD1-CD2 3.94Å |
| 23 | S | 85 | Confident | 86.6 | Confident | 55 Ų | 55 | 59.3 Ų | 59.3 | 39% | 0.385 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 161 | 166.5 | 66.1 | 0 | 0 | 0 | 0 | 111.2 | E25 E26 Y27 | S23-E25 VanDerWaalsContact C-N 3.25Å; S23-E25 PolarHBondContact O-N 3.17Å; S23-E26 WeakPolarHBondContact CB-OE2 3.39Å; S23-E26 PolarHBondContact N-OE2 2.76Å; S23-E26 PolarHBondContact O-N 2.87Å; S23-E26 WeakPolarHBondContact OG-CB 3.5Å; S23-E26 VanDerWaalsContact OG-CD 3.27Å; S23-E26 VanDerWaalsContact OG-CG 3.23Å; S23-E26 WeakPolarHBondContact OG-CG 3.49Å; S23-E26 PolarHBondContact OG-N 3.41Å; S23-E26 PolarHBondContact OG-OE2 3.16Å; S23-Y27 VanDerWaalsContact O-CD2 3.32Å; S23-Y27 WeakPolarHBondContact O-CD2 3.42Å; S23-Y27 PolarHBondContact O-N 2.99Å |
| 24 | Q | 84.8 | Confident | 87 | Confident | 52 Ų | 52 | 59.2 Ų | 59.2 | 24% | 0.243 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.4 | -35.5 | 178.4 | -173.7 | 176.5 | -80.8 | 0 | 0 | 112.8 | T28 L54 S58 | Q24-T28 PolarHBondContact O-N 3.5Å; Q24-T28 VanDerWaalsContact O-N 3.15Å; Q24-T28 PolarHBondContact O-OG1 3.46Å; Q24-L54 HydrophobicContact CB-CD2 4.45Å; Q24-S58 VanDerWaalsContact CD-CB 3.41Å; Q24-S58 VanDerWaalsContact CG-OG 3.24Å; Q24-S58 WeakPolarHBondContact CG-OG 3.29Å; Q24-S58 PolarHBondContact NE2-OG 3.15Å |
| 25 | E | 86.6 | Confident | 87.2 | Confident | 111 Ų | 111 | 56 Ų | 56 | 52% | 0.519 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.4 | -48 | 175.7 | -65 | -175.1 | -170.6 | 0 | 0 | 110.6 | S23 Y27 T28 E29 K90 | S23-E25 VanDerWaalsContact C-N 3.25Å; S23-E25 PolarHBondContact O-N 3.17Å; E25-Y27 VanDerWaalsContact C-N 3.33Å; E25-Y27 PolarHBondContact O-N 3.46Å; E25-T28 WeakPolarHBondContact O-CA 3.29Å; E25-T28 VanDerWaalsContact O-CB 3.32Å; E25-T28 WeakPolarHBondContact O-CB 3.48Å; E25-T28 PolarHBondContact O-N 2.9Å; E25-E29 PolarHBondContact O-N 3.29Å; E25-K90 IonicContact OE2-NZ 2.82Å; E25-K90 PolarHBondContact OE2-NZ 3.31Å |
| 26 | E | 88.6 | Confident | 87.4 | Confident | 43 Ų | 43 | 51.3 Ų | 51.3 | 20% | 0.201 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.4 | -38.8 | 178.6 | -74.9 | 168.5 | 138.5 | 0 | 0 | 112.3 | L13 K16 L22 S23 T28 E29 L30 | L13-E26 HydrophobicContact CD2-CB 3.85Å; L13-E26 HydrophobicContact CD2-CG 3.83Å; K16-E26 IonicContact NZ-OE1 2.84Å; K16-E26 PolarHBondContact NZ-OE1 2.98Å; L22-E26 HydrophobicContact CB-CB 3.97Å; L22-E26 HydrophobicContact CD1-CB 4.42Å; L22-E26 HydrophobicContact CD2-CB 4.22Å; L22-E26 HydrophobicContact CG-CB 4.45Å; S23-E26 WeakPolarHBondContact CB-OE2 3.39Å; S23-E26 PolarHBondContact N-OE2 2.76Å; S23-E26 PolarHBondContact O-N 2.87Å; S23-E26 WeakPolarHBondContact OG-CB 3.5Å; S23-E26 VanDerWaalsContact OG-CD 3.27Å; S23-E26 VanDerWaalsContact OG-CG 3.23Å; S23-E26 WeakPolarHBondContact OG-CG 3.49Å; S23-E26 PolarHBondContact OG-N 3.41Å; S23-E26 PolarHBondContact OG-OE2 3.16Å; E26-T28 VanDerWaalsContact C-N 3.29Å; E26-T28 PolarHBondContact O-N 3.26Å; E26-E29 PolarHBondContact O-N 2.94Å; E26-L30 WeakPolarHBondContact O-CB 3.46Å; E26-L30 PolarHBondContact O-N 2.98Å |
| 27 | Y | 90.1 | Very high | 87.6 | Confident | 12 Ų | 12 | 49.3 Ų | 49.3 | 5% | 0.047 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.4 | -34.7 | 172.4 | -82 | -60.2 | 0 | 0 | 0 | 113 | E17 L22 S23 E25 L31 L46 L50 L54 | E17-Y27 HydrophobicContact CG-CE1 4.31Å; L22-Y27 HydrophobicContact CB-CD1 4.21Å; L22-Y27 HydrophobicContact CB-CD2 3.79Å; L22-Y27 HydrophobicContact CB-CE1 4.03Å; L22-Y27 HydrophobicContact CB-CE2 3.6Å; L22-Y27 HydrophobicContact CB-CG 4.08Å; L22-Y27 HydrophobicContact CD1-CD1 3.95Å; L22-Y27 HydrophobicContact CD1-CE1 3.91Å; L22-Y27 HydrophobicContact CD1-CG 4.46Å; L22-Y27 HydrophobicContact CG-CE1 4.31Å; L22-Y27 WeakPolarHBondContact O-CE2 3.31Å; S23-Y27 VanDerWaalsContact O-CD2 3.32Å; S23-Y27 WeakPolarHBondContact O-CD2 3.42Å; S23-Y27 PolarHBondContact O-N 2.99Å; E25-Y27 VanDerWaalsContact C-N 3.33Å; E25-Y27 PolarHBondContact O-N 3.46Å; Y27-L31 VanDerWaalsContact O-CB 3.29Å; Y27-L31 WeakPolarHBondContact O-CB 3.32Å; Y27-L31 PolarHBondContact O-N 2.91Å; Y27-L46 HydrophobicContact CD1-CD1 4.3Å; Y27-L46 HydrophobicContact CE1-CD1 4.37Å; Y27-L50 HydrophobicContact CD1-CD2 3.98Å; Y27-L50 HydrophobicContact CD1-CG 4.34Å; Y27-L50 HydrophobicContact CD2-CD2 3.82Å; Y27-L50 HydrophobicContact CE1-CD2 4.36Å; Y27-L50 HydrophobicContact CE2-CD2 4.2Å; Y27-L50 HydrophobicContact CG-CD2 3.7Å; Y27-L54 HydrophobicContact CD2-CD1 4.11Å; Y27-L54 HydrophobicContact CE2-CD1 4Å |
| 28 | T | 90.1 | Very high | 87.7 | Confident | 8 Ų | 8 | 51.1 Ų | 51.1 | 5% | 0.049 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.5 | -43.9 | 178 | -54 | 0 | 0 | 0 | 0 | 110.3 | Q24 E25 E26 A32 D60 L61 I64 M91 | Q24-T28 PolarHBondContact O-N 3.5Å; Q24-T28 VanDerWaalsContact O-N 3.15Å; Q24-T28 PolarHBondContact O-OG1 3.46Å; E25-T28 WeakPolarHBondContact O-CA 3.29Å; E25-T28 VanDerWaalsContact O-CB 3.32Å; E25-T28 WeakPolarHBondContact O-CB 3.48Å; E25-T28 PolarHBondContact O-N 2.9Å; E26-T28 VanDerWaalsContact C-N 3.29Å; E26-T28 PolarHBondContact O-N 3.26Å; T28-A32 VanDerWaalsContact O-CB 3.26Å; T28-A32 WeakPolarHBondContact O-CB 3.48Å; T28-A32 PolarHBondContact O-N 2.91Å; T28-D60 HydrophobicContact CG2-CB 4.34Å; T28-L61 HydrophobicContact CG2-CB 4.46Å; T28-L61 WeakPolarHBondContact OG1-CB 3.48Å; T28-I64 HydrophobicContact CG2-CG2 4.36Å; T28-M91 HydrophobicContact CG2-CE 3.77Å; T28-M91 HydrophobicContact CG2-SD 3.82Å |
| 29 | E | 90.4 | Very high | 88 | Confident | 54 Ų | 54 | 48 Ų | 48 | 25% | 0.252 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.9 | -47.3 | 175 | -69.7 | 177.3 | -175.7 | 0 | 0 | 111.3 | L13 E25 E26 L31 A32 A33 M91 I94 | L13-E29 HydrophobicContact CD1-CB 4.13Å; E25-E29 PolarHBondContact O-N 3.29Å; E26-E29 PolarHBondContact O-N 2.94Å; E29-L31 PolarHBondContact O-N 3.42Å; E29-A32 PolarHBondContact O-N 3.14Å; E29-A33 WeakPolarHBondContact O-CB 3.48Å; E29-A33 PolarHBondContact O-N 3.13Å; E29-M91 HydrophobicContact CG-SD 4.19Å; E29-I94 HydrophobicContact CB-CD1 4.35Å; E29-I94 HydrophobicContact CG-CD1 4.01Å |
| 30 | L | 91.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.2 | -45.3 | 178.6 | -176.6 | 59.9 | 0 | 0 | 0 | 112 | V10 L13 E14 L22 E26 A32 A33 Y34 L46 | V10-L30 HydrophobicContact CG1-CD1 3.9Å; L13-L30 HydrophobicContact CB-CB 4.45Å; L13-L30 HydrophobicContact CB-CD1 3.99Å; L13-L30 HydrophobicContact CD1-CB 4.14Å; E14-L30 HydrophobicContact CG-CD1 4.19Å; L22-L30 HydrophobicContact CD1-CD2 3.94Å; E26-L30 WeakPolarHBondContact O-CB 3.46Å; E26-L30 PolarHBondContact O-N 2.98Å; L30-A32 VanDerWaalsContact C-N 3.33Å; L30-A32 PolarHBondContact O-N 3.43Å; L30-A33 PolarHBondContact O-N 3.45Å; L30-Y34 HydrophobicContact CD1-CE2 3.88Å; L30-Y34 HydrophobicContact CD2-CE2 4.31Å; L30-Y34 HydrophobicContact CG-CD2 4.32Å; L30-Y34 HydrophobicContact CG-CE2 3.77Å; L30-Y34 WeakPolarHBondContact O-CD2 3.3Å; L30-Y34 PolarHBondContact O-N 3.42Å; L30-Y34 VanDerWaalsContact O-N 3.09Å; L30-L46 HydrophobicContact CB-CD2 4.34Å; L30-L46 HydrophobicContact CD2-CD1 3.83Å; L30-L46 HydrophobicContact CD2-CD2 4.13Å; L30-L46 HydrophobicContact CG-CD2 4Å |
| 31 | L | 92 | Very high | 89.2 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.6 | -42.5 | 177.5 | -177.7 | 57.6 | 0 | 0 | 0 | 111.8 | Y27 E29 A33 Y34 I35 A43 L46 W47 L61 I64 W65 | Y27-L31 VanDerWaalsContact O-CB 3.29Å; Y27-L31 WeakPolarHBondContact O-CB 3.32Å; Y27-L31 PolarHBondContact O-N 2.91Å; E29-L31 PolarHBondContact O-N 3.42Å; L31-A33 VanDerWaalsContact C-N 3.32Å; L31-Y34 PolarHBondContact O-N 2.85Å; L31-I35 HydrophobicContact CD1-CD1 4.43Å; L31-I35 HydrophobicContact CG-CD1 4.27Å; L31-I35 WeakPolarHBondContact O-CG1 3.42Å; L31-I35 PolarHBondContact O-N 3.27Å; L31-I35 VanDerWaalsContact O-N 3.17Å; L31-A43 HydrophobicContact CD1-CB 3.64Å; L31-L46 HydrophobicContact CB-CD2 3.84Å; L31-L46 HydrophobicContact CD1-CD2 4.16Å; L31-W47 HydrophobicContact CD2-CE3 3.98Å; L31-W47 HydrophobicContact CD2-CZ3 4.37Å; L31-L61 HydrophobicContact CD2-CD1 3.84Å; L31-I64 HydrophobicContact CB-CG2 4.42Å; L31-I64 HydrophobicContact CD2-CG2 3.62Å; L31-I64 HydrophobicContact CG-CG2 4.02Å; L31-W65 HydrophobicContact CD1-CE3 4.29Å; L31-W65 HydrophobicContact CD2-CB 4.26Å; L31-W65 HydrophobicContact CD2-CE3 4.31Å |
| 32 | A | 92.1 | Very high | 90 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.8 | -36.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T28 E29 L30 I35 S36 I64 M91 I94 I98 | T28-A32 VanDerWaalsContact O-CB 3.26Å; T28-A32 WeakPolarHBondContact O-CB 3.48Å; T28-A32 PolarHBondContact O-N 2.91Å; E29-A32 PolarHBondContact O-N 3.14Å; L30-A32 VanDerWaalsContact C-N 3.33Å; L30-A32 PolarHBondContact O-N 3.43Å; A32-I35 PolarHBondContact O-N 3.31Å; A32-S36 PolarHBondContact O-N 3.45Å; A32-I64 HydrophobicContact CB-CD1 4.22Å; A32-I64 HydrophobicContact CB-CG1 3.98Å; A32-M91 HydrophobicContact CB-CE 3.67Å; A32-I94 HydrophobicContact CB-CG2 3.5Å; A32-I94 VanDerWaalsContact CB-CG2 3.5Å; A32-I98 HydrophobicContact CB-CD1 4Å; A32-I98 WeakPolarHBondContact O-CD1 3.36Å |
| 33 | A | 91.3 | Very high | 90.5 | Very high | 7 Ų | 7 | 40.2 Ų | 40.2 | 6% | 0.058 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67 | -41.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V10 E29 L30 L31 I35 S36 Q37 | V10-A33 HydrophobicContact CG2-CB 3.35Å; E29-A33 WeakPolarHBondContact O-CB 3.48Å; E29-A33 PolarHBondContact O-N 3.13Å; L30-A33 PolarHBondContact O-N 3.45Å; L31-A33 VanDerWaalsContact C-N 3.32Å; A33-I35 VanDerWaalsContact C-N 3.28Å; A33-I35 PolarHBondContact O-N 3.44Å; A33-S36 PolarHBondContact O-N 3.17Å; A33-S36 PolarHBondContact O-OG 3.11Å; A33-Q37 WeakPolarHBondContact O-CG 3.26Å; A33-Q37 PolarHBondContact O-N 3.32Å; A33-Q37 VanDerWaalsContact O-N 3.09Å |
| 34 | Y | 92.8 | Very high | 90.9 | Very high | 15 Ų | 15 | 40 Ų | 40 | 6% | 0.059 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.9 | -38.4 | 172.9 | -71.7 | -45.5 | 0 | 0 | 0 | 112.3 | V10 E14 L30 L31 Q37 N38 E39 L42 L46 | V10-Y34 HydrophobicContact CG1-CE1 4.04Å; E14-Y34 WeakPolarHBondContact OE1-CE1 3.48Å; E14-Y34 PolarHBondContact OE1-OH 3.03Å; L30-Y34 HydrophobicContact CD1-CE2 3.88Å; L30-Y34 HydrophobicContact CD2-CE2 4.31Å; L30-Y34 HydrophobicContact CG-CD2 4.32Å; L30-Y34 HydrophobicContact CG-CE2 3.77Å; L30-Y34 WeakPolarHBondContact O-CD2 3.3Å; L30-Y34 PolarHBondContact O-N 3.42Å; L30-Y34 VanDerWaalsContact O-N 3.09Å; L31-Y34 PolarHBondContact O-N 2.85Å; Y34-Q37 PolarHBondContact O-N 2.9Å; Y34-N38 PolarHBondContact O-N 2.7Å; Y34-E39 PolarHBondContact O-N 2.86Å; Y34-L42 HydrophobicContact CD1-CB 4.03Å; Y34-L42 HydrophobicContact CD1-CD1 4.17Å; Y34-L42 HydrophobicContact CD2-CB 4.38Å; Y34-L42 HydrophobicContact CE1-CB 4.15Å; Y34-L42 HydrophobicContact CE1-CD1 3.9Å; Y34-L42 HydrophobicContact CE2-CB 4.45Å; Y34-L42 HydrophobicContact CG-CB 4.18Å; Y34-L46 HydrophobicContact CD2-CD2 4.08Å; Y34-L46 HydrophobicContact CE2-CB 4.42Å; Y34-L46 HydrophobicContact CE2-CD2 4.05Å |
| 35 | I | 92.7 | Very high | 91.4 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.2 | -39.7 | 176.2 | -67.8 | 168.3 | 0 | 0 | 0 | 110.8 | L31 A32 A33 Q37 N38 A43 I64 L71 I98 | L31-I35 HydrophobicContact CD1-CD1 4.43Å; L31-I35 HydrophobicContact CG-CD1 4.27Å; L31-I35 WeakPolarHBondContact O-CG1 3.42Å; L31-I35 PolarHBondContact O-N 3.27Å; L31-I35 VanDerWaalsContact O-N 3.17Å; A32-I35 PolarHBondContact O-N 3.31Å; A33-I35 VanDerWaalsContact C-N 3.28Å; A33-I35 PolarHBondContact O-N 3.44Å; I35-Q37 VanDerWaalsContact C-N 3.3Å; I35-Q37 PolarHBondContact O-N 2.84Å; I35-N38 PolarHBondContact O-N 2.88Å; I35-N38 VanDerWaalsContact O-N 3.14Å; I35-A43 HydrophobicContact CG1-CB 4.16Å; I35-I64 HydrophobicContact CD1-CG1 4.06Å; I35-L71 HydrophobicContact CG2-CD1 3.57Å; I35-I98 HydrophobicContact CB-CD1 4.38Å; I35-I98 HydrophobicContact CG2-CD1 4.2Å; I35-I98 HydrophobicContact CG2-CG1 4.3Å; I35-I98 HydrophobicContact CG2-CG2 3.79Å |
| 36 | S | 90.6 | Very high | 91.6 | Very high | 11 Ų | 11 | 38.1 Ų | 38.1 | 8% | 0.077 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.9 | -33.6 | 178.7 | 69.4 | 0 | 0 | 0 | 0 | 112.6 | A32 A33 N38 S101 | A32-S36 PolarHBondContact O-N 3.45Å; A33-S36 PolarHBondContact O-N 3.17Å; A33-S36 PolarHBondContact O-OG 3.11Å; S36-N38 PolarHBondContact O-N 2.69Å; S36-S101 WeakPolarHBondContact O-CB 3.42Å; S36-S101 PolarHBondContact O-OG 3.14Å |
| 37 | Q | 90.4 | Very high | 91.7 | Very high | 68 Ų | 68 | 37.9 Ų | 37.9 | 32% | 0.318 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 1.7 | 176.3 | -63.9 | -178.7 | 39.1 | 0 | 0 | 113.7 | A33 Y34 I35 E39 | A33-Q37 WeakPolarHBondContact O-CG 3.26Å; A33-Q37 PolarHBondContact O-N 3.32Å; A33-Q37 VanDerWaalsContact O-N 3.09Å; Y34-Q37 PolarHBondContact O-N 2.9Å; I35-Q37 VanDerWaalsContact C-N 3.3Å; I35-Q37 PolarHBondContact O-N 2.84Å; Q37-E39 HydrophobicContact CB-CG 4.21Å; Q37-E39 PolarHBondContact O-N 2.55Å |
| 38 | N | 88.3 | Confident | 91.7 | Very high | 69 Ų | 69 | 45.9 Ų | 45.9 | 37% | 0.369 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 23.2 | -175.6 | -164.7 | 41.1 | 0 | 0 | 0 | 113.9 | Y34 I35 S36 L40 | Y34-N38 PolarHBondContact O-N 2.7Å; I35-N38 PolarHBondContact O-N 2.88Å; I35-N38 VanDerWaalsContact O-N 3.14Å; S36-N38 PolarHBondContact O-N 2.69Å; N38-L40 VanDerWaalsContact C-N 3.26Å; N38-L40 PolarHBondContact O-N 2.73Å; N38-L40 VanDerWaalsContact O-N 3.1Å |
| 39 | E | 91.8 | Very high | 91.7 | Very high | 83 Ų | 83 | 52.8 Ų | 52.8 | 39% | 0.388 | 24% | 0.238 | S | C | . | . | trans | -89 | 61 | 176 | -64 | -160.5 | 128.6 | 0 | 0 | 111.2 | Y34 Q37 Q41 L42 A43 | Y34-E39 PolarHBondContact O-N 2.86Å; Q37-E39 HydrophobicContact CB-CG 4.21Å; Q37-E39 PolarHBondContact O-N 2.55Å; E39-Q41 PolarHBondContact O-N 2.82Å; E39-Q41 VanDerWaalsContact O-N 3.1Å; E39-L42 HydrophobicContact CB-CB 4.34Å; E39-L42 HydrophobicContact CB-CD1 4.22Å; E39-L42 HydrophobicContact CB-CG 4.3Å; E39-L42 PolarHBondContact O-N 3.18Å; E39-L42 VanDerWaalsContact O-N 3.1Å; E39-L42 WeakPolarHBondContact OE2-CD1 3.4Å; E39-A43 PolarHBondContact O-N 3.26Å; E39-A43 VanDerWaalsContact O-N 3.15Å | ||
| 40 | L | 92.5 | Very high | 91.6 | Very high | 35 Ų | 35 | 50.4 Ų | 50.4 | 18% | 0.183 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.9 | -27.9 | -172.8 | -59.9 | 178.5 | 0 | 0 | 0 | 113.6 | N38 L44 L71 I72 | N38-L40 VanDerWaalsContact C-N 3.26Å; N38-L40 PolarHBondContact O-N 2.73Å; N38-L40 VanDerWaalsContact O-N 3.1Å; L40-L44 WeakPolarHBondContact O-CB 3.46Å; L40-L44 PolarHBondContact O-N 2.81Å; L40-L71 HydrophobicContact CD1-CB 4.24Å; L40-L71 HydrophobicContact CD2-CB 3.96Å; L40-L71 HydrophobicContact CD2-CD1 4.3Å; L40-I72 HydrophobicContact CB-CG1 3.98Å; L40-I72 HydrophobicContact CD1-CG1 4.27Å |
| 41 | Q | 93.2 | Very high | 91.2 | Very high | 149 Ų | 149 | 52.7 Ų | 52.7 | 70% | 0.696 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -70.8 | -43.1 | 177.6 | -66.1 | -174.5 | -20.7 | 0 | 0 | 111.9 | E39 L44 F45 | E39-Q41 PolarHBondContact O-N 2.82Å; E39-Q41 VanDerWaalsContact O-N 3.1Å; Q41-L44 WeakPolarHBondContact O-CB 3.37Å; Q41-L44 PolarHBondContact O-N 3.49Å; Q41-F45 HydrophobicContact CB-CE2 4.42Å; Q41-F45 WeakPolarHBondContact O-CD2 3.32Å; Q41-F45 WeakPolarHBondContact O-CG 3.21Å; Q41-F45 PolarHBondContact O-N 3.46Å |
| 42 | L | 92.7 | Very high | 90.9 | Very high | 70 Ų | 70 | 56.8 Ų | 56.8 | 37% | 0.366 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 176.7 | -61.7 | -172 | 0 | 0 | 0 | 110.6 | Y34 E39 L44 F45 L46 | Y34-L42 HydrophobicContact CD1-CB 4.03Å; Y34-L42 HydrophobicContact CD1-CD1 4.17Å; Y34-L42 HydrophobicContact CD2-CB 4.38Å; Y34-L42 HydrophobicContact CE1-CB 4.15Å; Y34-L42 HydrophobicContact CE1-CD1 3.9Å; Y34-L42 HydrophobicContact CE2-CB 4.45Å; Y34-L42 HydrophobicContact CG-CB 4.18Å; E39-L42 HydrophobicContact CB-CB 4.34Å; E39-L42 HydrophobicContact CB-CD1 4.22Å; E39-L42 HydrophobicContact CB-CG 4.3Å; E39-L42 PolarHBondContact O-N 3.18Å; E39-L42 VanDerWaalsContact O-N 3.1Å; E39-L42 WeakPolarHBondContact OE2-CD1 3.4Å; L42-L44 VanDerWaalsContact C-N 3.3Å; L42-L44 PolarHBondContact O-N 3.04Å; L42-F45 PolarHBondContact O-N 3.05Å; L42-F45 VanDerWaalsContact O-N 3.12Å; L42-L46 WeakPolarHBondContact O-CB 3.12Å; L42-L46 PolarHBondContact O-N 3.11Å |
| 43 | A | 93.3 | Very high | 90.4 | Very high | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.008 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -55.1 | -43.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L31 I35 E39 L46 W47 | L31-A43 HydrophobicContact CD1-CB 3.64Å; I35-A43 HydrophobicContact CG1-CB 4.16Å; E39-A43 PolarHBondContact O-N 3.26Å; E39-A43 VanDerWaalsContact O-N 3.15Å; A43-L46 PolarHBondContact O-N 3.23Å; A43-W47 PolarHBondContact O-N 3.29Å |
| 44 | L | 94.2 | Very high | 89.9 | Confident | 49 Ų | 49 | 62.9 Ų | 62.9 | 26% | 0.257 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 176.4 | 175.3 | 66.8 | 0 | 0 | 0 | 112.4 | L40 Q41 L42 W47 R48 W65 I72 | L40-L44 WeakPolarHBondContact O-CB 3.46Å; L40-L44 PolarHBondContact O-N 2.81Å; Q41-L44 WeakPolarHBondContact O-CB 3.37Å; Q41-L44 PolarHBondContact O-N 3.49Å; L42-L44 VanDerWaalsContact C-N 3.3Å; L42-L44 PolarHBondContact O-N 3.04Å; L44-W47 PolarHBondContact O-N 3.15Å; L44-R48 WeakPolarHBondContact O-CG 3.35Å; L44-R48 PolarHBondContact O-N 3.33Å; L44-W65 HydrophobicContact CB-CH2 4.13Å; L44-W65 HydrophobicContact CD1-CH2 3.57Å; L44-W65 HydrophobicContact CD1-CZ2 3.93Å; L44-W65 HydrophobicContact CG-CH2 4.47Å; L44-I72 HydrophobicContact CB-CD1 4.41Å |
| 45 | F | 93.7 | Very high | 89.5 | Confident | 122 Ų | 122 | 64.7 Ų | 64.7 | 54% | 0.535 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.5 | -40.6 | 178.5 | -67.3 | -46.5 | 0 | 0 | 0 | 112 | Q41 L42 W47 R48 R49 | Q41-F45 HydrophobicContact CB-CE2 4.42Å; Q41-F45 WeakPolarHBondContact O-CD2 3.32Å; Q41-F45 WeakPolarHBondContact O-CG 3.21Å; Q41-F45 PolarHBondContact O-N 3.46Å; L42-F45 PolarHBondContact O-N 3.05Å; L42-F45 VanDerWaalsContact O-N 3.12Å; F45-W47 VanDerWaalsContact C-N 3.34Å; F45-W47 PolarHBondContact O-N 3.18Å; F45-R48 PolarHBondContact O-N 3.08Å; F45-R49 PolarHBondContact O-N 3.03Å |
| 46 | L | 91.5 | Very high | 88.9 | Confident | 3 Ų | 3 | 73.4 Ų | 73.4 | 2% | 0.016 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -56.5 | -49.8 | 172.1 | -171.3 | 75.1 | 0 | 0 | 0 | 110.4 | Y27 L30 L31 Y34 L42 A43 R48 R49 L50 | Y27-L46 HydrophobicContact CD1-CD1 4.3Å; Y27-L46 HydrophobicContact CE1-CD1 4.37Å; L30-L46 HydrophobicContact CB-CD2 4.34Å; L30-L46 HydrophobicContact CD2-CD1 3.83Å; L30-L46 HydrophobicContact CD2-CD2 4.13Å; L30-L46 HydrophobicContact CG-CD2 4Å; L31-L46 HydrophobicContact CB-CD2 3.84Å; L31-L46 HydrophobicContact CD1-CD2 4.16Å; Y34-L46 HydrophobicContact CD2-CD2 4.08Å; Y34-L46 HydrophobicContact CE2-CB 4.42Å; Y34-L46 HydrophobicContact CE2-CD2 4.05Å; L42-L46 WeakPolarHBondContact O-CB 3.12Å; L42-L46 PolarHBondContact O-N 3.11Å; A43-L46 PolarHBondContact O-N 3.23Å; L46-R48 VanDerWaalsContact C-N 3.28Å; L46-R48 PolarHBondContact O-N 2.95Å; L46-R49 PolarHBondContact O-N 3.14Å; L46-R49 VanDerWaalsContact O-N 3.11Å; L46-L50 HydrophobicContact CG-CD1 4.27Å; L46-L50 WeakPolarHBondContact O-CD1 3.45Å; L46-L50 PolarHBondContact O-N 3.09Å |
| 47 | W | 91.2 | Very high | 88.1 | Confident | 37 Ų | 37 | 79.6 Ų | 79.6 | 14% | 0.14 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -58.6 | -37.3 | 177.9 | -174.7 | -99.8 | 0 | 0 | 0 | 113.2 | L31 A43 L44 F45 L50 K55 L61 W65 | L31-W47 HydrophobicContact CD2-CE3 3.98Å; L31-W47 HydrophobicContact CD2-CZ3 4.37Å; A43-W47 PolarHBondContact O-N 3.29Å; L44-W47 PolarHBondContact O-N 3.15Å; F45-W47 VanDerWaalsContact C-N 3.34Å; F45-W47 PolarHBondContact O-N 3.18Å; W47-L50 HydrophobicContact CE3-CD1 4.27Å; W47-K55 HydrophobicContact CH2-CB 4.42Å; W47-K55 HydrophobicContact CH2-CD 4.38Å; W47-K55 HydrophobicContact CH2-CG 3.96Å; W47-K55 HydrophobicContact CZ2-CB 4.46Å; W47-K55 HydrophobicContact CZ2-CD 3.83Å; W47-K55 HydrophobicContact CZ2-CG 3.92Å; W47-K55 WeakPolarHBondContact O-CE 3.47Å; W47-K55 PolarHBondContact O-NZ 2.94Å; W47-L61 HydrophobicContact CZ3-CD1 4.36Å; W47-L61 HydrophobicContact CZ3-CG 3.94Å; W47-W65 HydrophobicContact CB-CD2 4.02Å; W47-W65 HydrophobicContact CB-CE3 3.83Å; W47-W65 HydrophobicContact CB-CH2 3.92Å; W47-W65 HydrophobicContact CB-CZ2 4.06Å; W47-W65 HydrophobicContact CB-CZ3 3.79Å; W47-W65 AromaticContact CD1-CE2 3.43Å; W47-W65 VanDerWaalsContact CD1-CE2 3.43Å; W47-W65 AromaticContact CD1-CZ2 3.65Å; W47-W65 AromaticContact CD1-NE1 3.54Å; W47-W65 HydrophobicContact CD2-CB 4.12Å; W47-W65 AromaticContact CD2-CD1 3.64Å; W47-W65 AromaticContact CD2-CD2 3.49Å; W47-W65 HydrophobicContact CD2-CD2 3.49Å; W47-W65 VanDerWaalsContact CD2-CD2 3.49Å; W47-W65 AromaticContact CD2-CE2 3.72Å; W47-W65 HydrophobicContact CD2-CE3 4.09Å; W47-W65 AromaticContact CD2-CG 3.46Å; W47-W65 HydrophobicContact CD2-CG 3.46Å; W47-W65 VanDerWaalsContact CD2-CG 3.46Å; W47-W65 AromaticContact CD2-NE1 3.75Å; W47-W65 AromaticContact CE2-CD1 3.27Å; W47-W65 AromaticContact CE2-CD2 3.96Å; W47-W65 AromaticContact CE2-CE2 3.87Å; W47-W65 AromaticContact CE2-CG 3.61Å; W47-W65 AromaticContact CE2-NE1 3.4Å; W47-W65 HydrophobicContact CE3-CB 3.63Å; W47-W65 AromaticContact CE3-CD2 3.78Å; W47-W65 HydrophobicContact CE3-CD2 3.78Å; W47-W65 HydrophobicContact CE3-CE3 4.19Å; W47-W65 AromaticContact CE3-CG 3.49Å; W47-W65 HydrophobicContact CE3-CG 3.49Å; W47-W65 VanDerWaalsContact CE3-CG 3.49Å; W47-W65 AromaticContact CG-CD2 3.56Å; W47-W65 HydrophobicContact CG-CD2 3.56Å; W47-W65 AromaticContact CG-CE2 3.47Å; W47-W65 VanDerWaalsContact CG-CE2 3.47Å; W47-W65 AromaticContact CG-CE3 3.92Å; W47-W65 HydrophobicContact CG-CE3 3.92Å; W47-W65 HydrophobicContact CG-CG 4.07Å; W47-W65 HydrophobicContact CG-CH2 4.17Å; W47-W65 AromaticContact CG-CZ2 3.8Å; W47-W65 HydrophobicContact CG-CZ2 3.8Å; W47-W65 HydrophobicContact CG-CZ3 4.21Å; W47-W65 AromaticContact CG-NE1 3.85Å; W47-W65 HydrophobicContact CH2-CB 3.77Å; W47-W65 AromaticContact CH2-CD1 3.79Å; W47-W65 AromaticContact CH2-CG 3.84Å; W47-W65 HydrophobicContact CH2-CG 3.84Å; W47-W65 HydrophobicContact CZ2-CB 4.27Å; W47-W65 AromaticContact CZ2-CD1 3.39Å; W47-W65 AromaticContact CZ2-CG 3.83Å; W47-W65 HydrophobicContact CZ2-CG 3.83Å; W47-W65 AromaticContact CZ2-NE1 3.95Å; W47-W65 HydrophobicContact CZ3-CB 3.4Å; W47-W65 HydrophobicContact CZ3-CD2 4.41Å; W47-W65 AromaticContact CZ3-CG 3.65Å; W47-W65 HydrophobicContact CZ3-CG 3.65Å; W47-W65 AromaticContact NE1-CD1 3.66Å; W47-W65 AromaticContact NE1-CE2 3.67Å; W47-W65 AromaticContact NE1-NE1 3.25Å |
| 48 | R | 90.9 | Very high | 87.1 | Confident | 180 Ų | 180 | 76.8 Ų | 76.8 | 68% | 0.679 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -70.1 | -36 | 177.7 | -74.6 | -178.2 | 177.5 | -153.6 | 1.3 | 112.5 | L44 F45 L46 | L44-R48 WeakPolarHBondContact O-CG 3.35Å; L44-R48 PolarHBondContact O-N 3.33Å; F45-R48 PolarHBondContact O-N 3.08Å; L46-R48 VanDerWaalsContact C-N 3.28Å; L46-R48 PolarHBondContact O-N 2.95Å |
| 49 | R | 89.2 | Confident | 86.8 | Confident | 153 Ų | 153 | 77.3 Ų | 77.3 | 58% | 0.577 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -70.7 | -32.2 | 177.8 | -178.9 | 164.7 | 64 | -148.4 | -6.2 | 112.7 | E17 F45 L46 | E17-R49 IonicContact OE1-CZ 3.04Å; E17-R49 IonicContact OE1-NE 3.83Å; E17-R49 PolarHBondContact OE1-NE 2.85Å; E17-R49 IonicContact OE1-NH2 2.73Å; E17-R49 PolarHBondContact OE1-NH2 3.28Å; E17-R49 IonicContact OE2-CZ 3.61Å; E17-R49 IonicContact OE2-NH2 2.69Å; E17-R49 PolarHBondContact OE2-NH2 3.44Å; F45-R49 PolarHBondContact O-N 3.03Å; L46-R49 PolarHBondContact O-N 3.14Å; L46-R49 VanDerWaalsContact O-N 3.11Å |
| 50 | L | 87.9 | Confident | 86.7 | Confident | 5 Ų | 5 | 74.7 Ų | 74.7 | 3% | 0.026 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -56.6 | 123.9 | 179.8 | -88.3 | 147.1 | 0 | 0 | 0 | 112.5 | Y27 L46 W47 L54 K55 L61 | Y27-L50 HydrophobicContact CD1-CD2 3.98Å; Y27-L50 HydrophobicContact CD1-CG 4.34Å; Y27-L50 HydrophobicContact CD2-CD2 3.82Å; Y27-L50 HydrophobicContact CE1-CD2 4.36Å; Y27-L50 HydrophobicContact CE2-CD2 4.2Å; Y27-L50 HydrophobicContact CG-CD2 3.7Å; L46-L50 HydrophobicContact CG-CD1 4.27Å; L46-L50 WeakPolarHBondContact O-CD1 3.45Å; L46-L50 PolarHBondContact O-N 3.09Å; W47-L50 HydrophobicContact CE3-CD1 4.27Å; L50-L54 HydrophobicContact CD2-CB 4.37Å; L50-L54 HydrophobicContact CD2-CD1 4.08Å; L50-K55 WeakPolarHBondContact O-CE 3.47Å; L50-K55 PolarHBondContact O-NZ 3.29Å; L50-L61 HydrophobicContact CD2-CD2 4.25Å |
| 51 | P | 84.2 | Confident | 86.6 | Confident | 47 Ų | 47 | 73 Ų | 73 | 31% | 0.305 | 35% | 0.348 | S | S | . | . | trans | -67.1 | 151.4 | 177.7 | 25.5 | -32.2 | 0 | 0 | 0 | 111.9 | H53 L54 | P51-H53 VanDerWaalsContact C-N 3.26Å; P51-H53 VanDerWaalsContact CB-CE1 3.47Å; P51-H53 WeakPolarHBondContact CB-CE1 3.22Å; P51-H53 WeakPolarHBondContact CG-CE1 3.4Å; P51-H53 PolarHBondContact O-N 3.45Å; P51-L54 HydrophobicContact CG-CD1 3.92Å; P51-L54 HydrophobicContact CG-CG 4.25Å; P51-L54 PolarHBondContact O-N 2.9Å | ||
| 52 | S | 83.7 | Confident | 86.5 | Confident | 87 Ų | 87 | 68.1 Ų | 68.1 | 61% | 0.608 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -17.8 | -168.1 | 53.9 | 0 | 0 | 0 | 0 | 115.4 | ||
| 53 | H | 83 | Confident | 86.4 | Confident | 111 Ų | 111 | 65.3 Ų | 65.3 | 51% | 0.514 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -44.8 | 176.4 | 60.1 | -87.3 | 0 | 0 | 0 | 111.7 | P51 K55 K56 E57 | P51-H53 VanDerWaalsContact C-N 3.26Å; P51-H53 VanDerWaalsContact CB-CE1 3.47Å; P51-H53 WeakPolarHBondContact CB-CE1 3.22Å; P51-H53 WeakPolarHBondContact CG-CE1 3.4Å; P51-H53 PolarHBondContact O-N 3.45Å; H53-K55 PolarHBondContact O-N 3.35Å; H53-K56 PolarHBondContact O-N 2.98Å; H53-E57 PolarHBondContact O-N 3.41Å |
| 54 | L | 80.6 | Confident | 86.4 | Confident | 24 Ų | 24 | 65.3 Ų | 65.3 | 13% | 0.126 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.1 | -30 | 177.1 | -61.1 | 179.4 | 0 | 0 | 0 | 112.5 | Q24 Y27 L50 P51 K56 S58 | Q24-L54 HydrophobicContact CB-CD2 4.45Å; Y27-L54 HydrophobicContact CD2-CD1 4.11Å; Y27-L54 HydrophobicContact CE2-CD1 4Å; L50-L54 HydrophobicContact CD2-CB 4.37Å; L50-L54 HydrophobicContact CD2-CD1 4.08Å; P51-L54 HydrophobicContact CG-CD1 3.92Å; P51-L54 HydrophobicContact CG-CG 4.25Å; P51-L54 PolarHBondContact O-N 2.9Å; L54-K56 PolarHBondContact O-N 3.44Å; L54-S58 PolarHBondContact O-OG 3.23Å |
| 55 | K | 85 | Confident | 86.3 | Confident | 53 Ų | 53 | 63.8 Ų | 63.8 | 23% | 0.23 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.1 | -21.5 | 175.7 | -67 | 176.7 | 174.4 | 155.3 | 0 | 113.5 | W47 L50 H53 T62 | W47-K55 HydrophobicContact CH2-CB 4.42Å; W47-K55 HydrophobicContact CH2-CD 4.38Å; W47-K55 HydrophobicContact CH2-CG 3.96Å; W47-K55 HydrophobicContact CZ2-CB 4.46Å; W47-K55 HydrophobicContact CZ2-CD 3.83Å; W47-K55 HydrophobicContact CZ2-CG 3.92Å; W47-K55 WeakPolarHBondContact O-CE 3.47Å; W47-K55 PolarHBondContact O-NZ 2.94Å; L50-K55 WeakPolarHBondContact O-CE 3.47Å; L50-K55 PolarHBondContact O-NZ 3.29Å; H53-K55 PolarHBondContact O-N 3.35Å; K55-T62 PolarHBondContact O-OG1 2.97Å; K55-T62 VanDerWaalsContact O-OG1 3.1Å |
| 56 | K | 78.9 | Confident | 86.3 | Confident | 185 Ų | 185 | 62 Ų | 62 | 80% | 0.804 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -97.7 | -25.3 | -176.9 | -69.3 | -177.9 | -179.1 | -178.1 | 0 | 113.2 | H53 L54 | H53-K56 PolarHBondContact O-N 2.98Å; L54-K56 PolarHBondContact O-N 3.44Å |
| 57 | E | 73.5 | Confident | 86.4 | Confident | 140 Ų | 140 | 61.8 Ų | 61.8 | 65% | 0.654 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -80.9 | -44.2 | -175.2 | -83.6 | 177.5 | 149.3 | 0 | 0 | 112.9 | H53 | H53-E57 PolarHBondContact O-N 3.41Å |
| 58 | S | 70.8 | Confident | 86.5 | Confident | 9 Ų | 9 | 60.1 Ų | 60.1 | 6% | 0.063 | 29% | 0.293 | C | S | . | . | trans | -87.5 | 121.5 | 179.8 | 26.8 | 0 | 0 | 0 | 0 | 114.1 | Q24 L54 L61 T62 | Q24-S58 VanDerWaalsContact CD-CB 3.41Å; Q24-S58 VanDerWaalsContact CG-OG 3.24Å; Q24-S58 WeakPolarHBondContact CG-OG 3.29Å; Q24-S58 PolarHBondContact NE2-OG 3.15Å; L54-S58 PolarHBondContact O-OG 3.23Å; S58-L61 WeakPolarHBondContact OG-CB 3.26Å; S58-T62 PolarHBondContact O-N 3.33Å; S58-T62 PolarHBondContact O-OG1 3.37Å | ||
| 59 | S | 81.9 | Confident | 86.6 | Confident | 81 Ų | 81 | 54.8 Ų | 54.8 | 57% | 0.566 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -67.4 | -33.8 | 165.3 | 60.4 | 0 | 0 | 0 | 0 | 112.7 | A63 R85 | S59-A63 VanDerWaalsContact O-CB 3.26Å; S59-A63 WeakPolarHBondContact O-CB 3.16Å; S59-A63 PolarHBondContact O-N 3.15Å; S59-R85 PolarHBondContact O-NH2 3.1Å |
| 60 | D | 89 | Confident | 86.8 | Confident | 27 Ų | 27 | 48.1 Ų | 48.1 | 14% | 0.144 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -76.2 | -45.3 | -177.1 | -76.7 | -1.6 | 0 | 0 | 0 | 112.3 | T28 T62 A63 I64 R85 W87 S88 | T28-D60 HydrophobicContact CG2-CB 4.34Å; D60-T62 VanDerWaalsContact C-N 3.32Å; D60-T62 PolarHBondContact O-N 2.86Å; D60-A63 WeakPolarHBondContact O-CB 3.42Å; D60-A63 PolarHBondContact O-N 3Å; D60-A63 VanDerWaalsContact O-N 3.13Å; D60-I64 PolarHBondContact O-N 2.79Å; D60-R85 IonicContact OD1-CZ 3.7Å; D60-R85 IonicContact OD1-NH2 2.66Å; D60-R85 PolarHBondContact OD1-NH2 3.1Å; D60-W87 HydrophobicContact CB-CE3 4.41Å; D60-W87 HydrophobicContact CB-CZ3 4.36Å; D60-S88 WeakPolarHBondContact OD2-CB 3.3Å; D60-S88 PolarHBondContact OD2-OG 3.06Å |
| 61 | L | 90 | Very high | 87.1 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59 | -42.6 | 176.3 | -176 | 60.5 | 0 | 0 | 0 | 112.2 | T28 L31 W47 L50 S58 A63 I64 W65 | T28-L61 HydrophobicContact CG2-CB 4.46Å; T28-L61 WeakPolarHBondContact OG1-CB 3.48Å; L31-L61 HydrophobicContact CD2-CD1 3.84Å; W47-L61 HydrophobicContact CZ3-CD1 4.36Å; W47-L61 HydrophobicContact CZ3-CG 3.94Å; L50-L61 HydrophobicContact CD2-CD2 4.25Å; S58-L61 WeakPolarHBondContact OG-CB 3.26Å; L61-A63 VanDerWaalsContact C-N 3.31Å; L61-I64 WeakPolarHBondContact O-CG2 3.23Å; L61-W65 WeakPolarHBondContact O-CB 3.44Å; L61-W65 PolarHBondContact O-N 3.12Å; L61-W65 VanDerWaalsContact O-N 3.16Å |
| 62 | T | 90.5 | Very high | 87.5 | Confident | 47 Ų | 47 | 49.7 Ų | 49.7 | 29% | 0.288 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -67.3 | -39.3 | 178 | -51.9 | 0 | 0 | 0 | 0 | 110.5 | K55 S58 D60 W65 E66 | K55-T62 PolarHBondContact O-OG1 2.97Å; K55-T62 VanDerWaalsContact O-OG1 3.1Å; S58-T62 PolarHBondContact O-N 3.33Å; S58-T62 PolarHBondContact O-OG1 3.37Å; D60-T62 VanDerWaalsContact C-N 3.32Å; D60-T62 PolarHBondContact O-N 2.86Å; T62-W65 WeakPolarHBondContact O-CB 3.32Å; T62-W65 PolarHBondContact O-N 3.32Å; T62-E66 WeakPolarHBondContact O-CG 3.27Å; T62-E66 PolarHBondContact O-N 3.24Å |
| 63 | A | 91.7 | Very high | 87.9 | Confident | 11 Ų | 11 | 54.1 Ų | 54.1 | 9% | 0.091 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.9 | -41.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S59 D60 L61 W65 E66 V67 R85 W87 | S59-A63 VanDerWaalsContact O-CB 3.26Å; S59-A63 WeakPolarHBondContact O-CB 3.16Å; S59-A63 PolarHBondContact O-N 3.15Å; D60-A63 WeakPolarHBondContact O-CB 3.42Å; D60-A63 PolarHBondContact O-N 3Å; D60-A63 VanDerWaalsContact O-N 3.13Å; L61-A63 VanDerWaalsContact C-N 3.31Å; A63-W65 PolarHBondContact O-N 3Å; A63-E66 WeakPolarHBondContact O-CB 3.33Å; A63-E66 PolarHBondContact O-N 3.43Å; A63-E66 VanDerWaalsContact O-N 3.14Å; A63-V67 PolarHBondContact O-N 3.06Å; A63-R85 VanDerWaalsContact CB-CZ 3.46Å; A63-W87 HydrophobicContact CB-CH2 3.68Å; A63-W87 HydrophobicContact CB-CZ3 3.93Å |
| 64 | I | 92.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.1 | -33.3 | 176.5 | -157.7 | 76.5 | 0 | 0 | 0 | 110.4 | T28 L31 A32 I35 D60 L61 V67 G68 W87 V95 I98 | T28-I64 HydrophobicContact CG2-CG2 4.36Å; L31-I64 HydrophobicContact CB-CG2 4.42Å; L31-I64 HydrophobicContact CD2-CG2 3.62Å; L31-I64 HydrophobicContact CG-CG2 4.02Å; A32-I64 HydrophobicContact CB-CD1 4.22Å; A32-I64 HydrophobicContact CB-CG1 3.98Å; I35-I64 HydrophobicContact CD1-CG1 4.06Å; D60-I64 PolarHBondContact O-N 2.79Å; L61-I64 WeakPolarHBondContact O-CG2 3.23Å; I64-V67 WeakPolarHBondContact O-CB 3.48Å; I64-V67 PolarHBondContact O-N 3.18Å; I64-G68 PolarHBondContact O-N 3.26Å; I64-W87 HydrophobicContact CB-CH2 4.12Å; I64-W87 HydrophobicContact CB-CZ3 4.27Å; I64-W87 HydrophobicContact CD1-CH2 3.84Å; I64-W87 HydrophobicContact CD1-CZ2 4.4Å; I64-W87 HydrophobicContact CD1-CZ3 4.27Å; I64-V95 HydrophobicContact CD1-CG2 4.39Å; I64-I98 HydrophobicContact CD1-CD1 3.78Å |
| 65 | W | 92.5 | Very high | 88.9 | Confident | 18 Ų | 18 | 57.8 Ų | 57.8 | 7% | 0.068 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.6 | -35.6 | 172.4 | -178.5 | -115.4 | 0 | 0 | 0 | 113.3 | L31 L44 W47 L61 T62 A63 V67 G68 K69 I72 | L31-W65 HydrophobicContact CD1-CE3 4.29Å; L31-W65 HydrophobicContact CD2-CB 4.26Å; L31-W65 HydrophobicContact CD2-CE3 4.31Å; L44-W65 HydrophobicContact CB-CH2 4.13Å; L44-W65 HydrophobicContact CD1-CH2 3.57Å; L44-W65 HydrophobicContact CD1-CZ2 3.93Å; L44-W65 HydrophobicContact CG-CH2 4.47Å; W47-W65 HydrophobicContact CB-CD2 4.02Å; W47-W65 HydrophobicContact CB-CE3 3.83Å; W47-W65 HydrophobicContact CB-CH2 3.92Å; W47-W65 HydrophobicContact CB-CZ2 4.06Å; W47-W65 HydrophobicContact CB-CZ3 3.79Å; W47-W65 AromaticContact CD1-CE2 3.43Å; W47-W65 VanDerWaalsContact CD1-CE2 3.43Å; W47-W65 AromaticContact CD1-CZ2 3.65Å; W47-W65 AromaticContact CD1-NE1 3.54Å; W47-W65 HydrophobicContact CD2-CB 4.12Å; W47-W65 AromaticContact CD2-CD1 3.64Å; W47-W65 AromaticContact CD2-CD2 3.49Å; W47-W65 HydrophobicContact CD2-CD2 3.49Å; W47-W65 VanDerWaalsContact CD2-CD2 3.49Å; W47-W65 AromaticContact CD2-CE2 3.72Å; W47-W65 HydrophobicContact CD2-CE3 4.09Å; W47-W65 AromaticContact CD2-CG 3.46Å; W47-W65 HydrophobicContact CD2-CG 3.46Å; W47-W65 VanDerWaalsContact CD2-CG 3.46Å; W47-W65 AromaticContact CD2-NE1 3.75Å; W47-W65 AromaticContact CE2-CD1 3.27Å; W47-W65 AromaticContact CE2-CD2 3.96Å; W47-W65 AromaticContact CE2-CE2 3.87Å; W47-W65 AromaticContact CE2-CG 3.61Å; W47-W65 AromaticContact CE2-NE1 3.4Å; W47-W65 HydrophobicContact CE3-CB 3.63Å; W47-W65 AromaticContact CE3-CD2 3.78Å; W47-W65 HydrophobicContact CE3-CD2 3.78Å; W47-W65 HydrophobicContact CE3-CE3 4.19Å; W47-W65 AromaticContact CE3-CG 3.49Å; W47-W65 HydrophobicContact CE3-CG 3.49Å; W47-W65 VanDerWaalsContact CE3-CG 3.49Å; W47-W65 AromaticContact CG-CD2 3.56Å; W47-W65 HydrophobicContact CG-CD2 3.56Å; W47-W65 AromaticContact CG-CE2 3.47Å; W47-W65 VanDerWaalsContact CG-CE2 3.47Å; W47-W65 AromaticContact CG-CE3 3.92Å; W47-W65 HydrophobicContact CG-CE3 3.92Å; W47-W65 HydrophobicContact CG-CG 4.07Å; W47-W65 HydrophobicContact CG-CH2 4.17Å; W47-W65 AromaticContact CG-CZ2 3.8Å; W47-W65 HydrophobicContact CG-CZ2 3.8Å; W47-W65 HydrophobicContact CG-CZ3 4.21Å; W47-W65 AromaticContact CG-NE1 3.85Å; W47-W65 HydrophobicContact CH2-CB 3.77Å; W47-W65 AromaticContact CH2-CD1 3.79Å; W47-W65 AromaticContact CH2-CG 3.84Å; W47-W65 HydrophobicContact CH2-CG 3.84Å; W47-W65 HydrophobicContact CZ2-CB 4.27Å; W47-W65 AromaticContact CZ2-CD1 3.39Å; W47-W65 AromaticContact CZ2-CG 3.83Å; W47-W65 HydrophobicContact CZ2-CG 3.83Å; W47-W65 AromaticContact CZ2-NE1 3.95Å; W47-W65 HydrophobicContact CZ3-CB 3.4Å; W47-W65 HydrophobicContact CZ3-CD2 4.41Å; W47-W65 AromaticContact CZ3-CG 3.65Å; W47-W65 HydrophobicContact CZ3-CG 3.65Å; W47-W65 AromaticContact NE1-CD1 3.66Å; W47-W65 AromaticContact NE1-CE2 3.67Å; W47-W65 AromaticContact NE1-NE1 3.25Å; L61-W65 WeakPolarHBondContact O-CB 3.44Å; L61-W65 PolarHBondContact O-N 3.12Å; L61-W65 VanDerWaalsContact O-N 3.16Å; T62-W65 WeakPolarHBondContact O-CB 3.32Å; T62-W65 PolarHBondContact O-N 3.32Å; A63-W65 PolarHBondContact O-N 3Å; W65-V67 VanDerWaalsContact C-N 3.3Å; W65-V67 PolarHBondContact O-N 3.32Å; W65-G68 PolarHBondContact O-N 3.02Å; W65-K69 HydrophobicContact CD2-CG 4.29Å; W65-K69 HydrophobicContact CZ2-CG 3.85Å; W65-K69 WeakPolarHBondContact O-CG 3.45Å; W65-K69 PolarHBondContact O-N 3.14Å; W65-I72 HydrophobicContact CH2-CD1 4.05Å |
| 66 | E | 92.7 | Very high | 89.3 | Confident | 83 Ų | 83 | 56.6 Ų | 56.6 | 39% | 0.388 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.4 | -43.7 | 171 | -67.1 | -55.5 | 138.8 | 0 | 0 | 111.4 | T62 A63 G68 K69 S70 | T62-E66 WeakPolarHBondContact O-CG 3.27Å; T62-E66 PolarHBondContact O-N 3.24Å; A63-E66 WeakPolarHBondContact O-CB 3.33Å; A63-E66 PolarHBondContact O-N 3.43Å; A63-E66 VanDerWaalsContact O-N 3.14Å; E66-G68 PolarHBondContact O-N 3.4Å; E66-K69 PolarHBondContact O-N 3.08Å; E66-K69 WeakPolarHBondContact OE1-CE 3.29Å; E66-K69 IonicContact OE1-NZ 3.84Å; E66-K69 PolarHBondContact OE1-NZ 2.71Å; E66-K69 WeakPolarHBondContact OE2-CE 3.46Å; E66-K69 IonicContact OE2-NZ 2.71Å; E66-K69 PolarHBondContact OE2-NZ 3.33Å; E66-S70 PolarHBondContact O-N 2.99Å; E66-S70 VanDerWaalsContact O-N 3.09Å; E66-S70 PolarHBondContact O-OG 3.06Å |
| 67 | V | 94 | Very high | 90 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.8 | -49 | 173.3 | 179.6 | 0 | 0 | 0 | 0 | 110.4 | A63 I64 W65 K69 S70 L71 A79 A82 L83 | A63-V67 PolarHBondContact O-N 3.06Å; I64-V67 WeakPolarHBondContact O-CB 3.48Å; I64-V67 PolarHBondContact O-N 3.18Å; W65-V67 VanDerWaalsContact C-N 3.3Å; W65-V67 PolarHBondContact O-N 3.32Å; V67-K69 VanDerWaalsContact C-N 3.32Å; V67-K69 PolarHBondContact O-N 2.9Å; V67-S70 PolarHBondContact O-N 2.73Å; V67-L71 HydrophobicContact CG1-CD1 4.11Å; V67-L71 HydrophobicContact CG1-CG 4.49Å; V67-L71 WeakPolarHBondContact O-CG 3.47Å; V67-L71 PolarHBondContact O-N 3.14Å; V67-A79 HydrophobicContact CG1-CB 4.23Å; V67-A82 HydrophobicContact CG2-CB 3.77Å; V67-L83 HydrophobicContact CG1-CD1 4.36Å; V67-L83 HydrophobicContact CG1-CD2 4.07Å; V67-L83 HydrophobicContact CG1-CG 4.08Å; V67-L83 HydrophobicContact CG2-CD2 3.89Å; V67-L83 HydrophobicContact CG2-CG 4.03Å |
| 68 | G | 93.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.5 | -41.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | I64 W65 E66 L71 I72 | I64-G68 PolarHBondContact O-N 3.26Å; W65-G68 PolarHBondContact O-N 3.02Å; E66-G68 PolarHBondContact O-N 3.4Å; G68-L71 PolarHBondContact O-N 3.3Å; G68-I72 VanDerWaalsContact O-CG1 3.3Å; G68-I72 WeakPolarHBondContact O-CG1 3.41Å; G68-I72 PolarHBondContact O-N 3.42Å |
| 69 | K | 93.5 | Very high | 92 | Very high | 68 Ų | 68 | 45.3 Ų | 45.3 | 30% | 0.296 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.2 | -43.6 | 175.9 | -75.5 | -171.8 | -62.9 | 172.8 | 0 | 112.4 | W65 E66 V67 L71 I72 R73 | W65-K69 HydrophobicContact CD2-CG 4.29Å; W65-K69 HydrophobicContact CZ2-CG 3.85Å; W65-K69 WeakPolarHBondContact O-CG 3.45Å; W65-K69 PolarHBondContact O-N 3.14Å; E66-K69 PolarHBondContact O-N 3.08Å; E66-K69 WeakPolarHBondContact OE1-CE 3.29Å; E66-K69 IonicContact OE1-NZ 3.84Å; E66-K69 PolarHBondContact OE1-NZ 2.71Å; E66-K69 WeakPolarHBondContact OE2-CE 3.46Å; E66-K69 IonicContact OE2-NZ 2.71Å; E66-K69 PolarHBondContact OE2-NZ 3.33Å; V67-K69 VanDerWaalsContact C-N 3.32Å; V67-K69 PolarHBondContact O-N 2.9Å; K69-L71 VanDerWaalsContact C-N 3.31Å; K69-I72 PolarHBondContact O-N 3.09Å; K69-R73 PolarHBondContact O-N 2.96Å |
| 70 | S | 93.7 | Very high | 92.5 | Very high | 14 Ų | 14 | 42.1 Ų | 42.1 | 10% | 0.098 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.7 | -40.3 | 176.6 | -64.7 | 0 | 0 | 0 | 0 | 111.1 | E66 V67 R73 M74 E75 S78 | E66-S70 PolarHBondContact O-N 2.99Å; E66-S70 VanDerWaalsContact O-N 3.09Å; E66-S70 PolarHBondContact O-OG 3.06Å; V67-S70 PolarHBondContact O-N 2.73Å; S70-R73 CarbonylContact O-C 3.53Å; S70-R73 PolarHBondContact O-N 3.41Å; S70-M74 PolarHBondContact O-N 2.85Å; S70-E75 PolarHBondContact O-N 3.45Å; S70-S78 PolarHBondContact OG-OG 3.16Å |
| 71 | L | 93.5 | Very high | 92.6 | Very high | 10 Ų | 10 | 43.7 Ų | 43.7 | 5% | 0.052 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.7 | -42.2 | 175.9 | -68.9 | 173.3 | 0 | 0 | 0 | 112.8 | I35 L40 V67 G68 K69 R73 M74 Y76 A79 V102 | I35-L71 HydrophobicContact CG2-CD1 3.57Å; L40-L71 HydrophobicContact CD1-CB 4.24Å; L40-L71 HydrophobicContact CD2-CB 3.96Å; L40-L71 HydrophobicContact CD2-CD1 4.3Å; V67-L71 HydrophobicContact CG1-CD1 4.11Å; V67-L71 HydrophobicContact CG1-CG 4.49Å; V67-L71 WeakPolarHBondContact O-CG 3.47Å; V67-L71 PolarHBondContact O-N 3.14Å; G68-L71 PolarHBondContact O-N 3.3Å; K69-L71 VanDerWaalsContact C-N 3.31Å; L71-R73 PolarHBondContact O-N 3.43Å; L71-M74 PolarHBondContact O-N 3.2Å; L71-Y76 HydrophobicContact CD2-CD1 3.97Å; L71-Y76 HydrophobicContact CD2-CE1 4.43Å; L71-A79 HydrophobicContact CD2-CB 3.61Å; L71-A79 HydrophobicContact CG-CB 3.78Å; L71-V102 HydrophobicContact CD1-CG2 3.98Å; L71-V102 HydrophobicContact CD2-CG1 3.91Å; L71-V102 HydrophobicContact CD2-CG2 3.8Å |
| 72 | I | 92.4 | Very high | 92.7 | Very high | 75 Ų | 75 | 45.5 Ų | 45.5 | 39% | 0.385 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.7 | -31.3 | 175.7 | -70.2 | 164.4 | 0 | 0 | 0 | 111.7 | L40 L44 W65 G68 K69 M74 | L40-I72 HydrophobicContact CB-CG1 3.98Å; L40-I72 HydrophobicContact CD1-CG1 4.27Å; L44-I72 HydrophobicContact CB-CD1 4.41Å; W65-I72 HydrophobicContact CH2-CD1 4.05Å; G68-I72 VanDerWaalsContact O-CG1 3.3Å; G68-I72 WeakPolarHBondContact O-CG1 3.41Å; G68-I72 PolarHBondContact O-N 3.42Å; K69-I72 PolarHBondContact O-N 3.09Å; I72-M74 VanDerWaalsContact C-N 3.3Å |
| 73 | R | 92.4 | Very high | 92.8 | Very high | 179 Ų | 179 | 43.3 Ų | 43.3 | 68% | 0.675 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | 1.6 | 175.5 | -67.5 | 179.2 | 179.3 | -176.7 | -0.4 | 114 | K69 S70 L71 E75 | K69-R73 PolarHBondContact O-N 2.96Å; S70-R73 CarbonylContact O-C 3.53Å; S70-R73 PolarHBondContact O-N 3.41Å; L71-R73 PolarHBondContact O-N 3.43Å; R73-E75 HydrophobicContact CB-CG 4.11Å; R73-E75 PolarHBondContact O-N 3.38Å |
| 74 | M | 91 | Very high | 92.7 | Very high | 126 Ų | 126 | 48.4 Ų | 48.4 | 62% | 0.621 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62 | 23.4 | -174.7 | -47.6 | 179.1 | 79.4 | 0 | 0 | 113.6 | S70 L71 I72 Y76 | S70-M74 PolarHBondContact O-N 2.85Å; L71-M74 PolarHBondContact O-N 3.2Å; I72-M74 VanDerWaalsContact C-N 3.3Å; M74-Y76 HydrophobicContact CB-CE2 4.17Å; M74-Y76 WeakPolarHBondContact O-CD2 3.19Å; M74-Y76 WeakPolarHBondContact O-CE2 3.26Å; M74-Y76 PolarHBondContact O-N 2.93Å |
| 75 | E | 93.3 | Very high | 92.5 | Very high | 87 Ų | 87 | 52.9 Ų | 52.9 | 41% | 0.407 | 27% | 0.27 | S | S | . | . | trans | -89.4 | 71.7 | 176.1 | -66.1 | 179.1 | -174.1 | 0 | 0 | 110.1 | S70 R73 S77 S78 A79 | S70-E75 PolarHBondContact O-N 3.45Å; R73-E75 HydrophobicContact CB-CG 4.11Å; R73-E75 PolarHBondContact O-N 3.38Å; E75-S77 PolarHBondContact O-N 2.9Å; E75-S78 WeakPolarHBondContact O-CB 3.24Å; E75-S78 PolarHBondContact O-N 3.3Å; E75-A79 PolarHBondContact O-N 3.26Å | ||
| 76 | Y | 93.1 | Very high | 92.2 | Very high | 27 Ų | 27 | 59.4 Ų | 59.4 | 11% | 0.106 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.5 | -37.7 | -173.9 | -52.1 | -72.6 | 0 | 0 | 0 | 113.4 | L71 M74 S78 A79 L80 V102 Y105 V106 L125 | L71-Y76 HydrophobicContact CD2-CD1 3.97Å; L71-Y76 HydrophobicContact CD2-CE1 4.43Å; M74-Y76 HydrophobicContact CB-CE2 4.17Å; M74-Y76 WeakPolarHBondContact O-CD2 3.19Å; M74-Y76 WeakPolarHBondContact O-CE2 3.26Å; M74-Y76 PolarHBondContact O-N 2.93Å; Y76-S78 PolarHBondContact O-N 3.1Å; Y76-A79 PolarHBondContact O-N 3.38Å; Y76-L80 WeakPolarHBondContact O-CB 3.43Å; Y76-L80 WeakPolarHBondContact O-CG 3.26Å; Y76-L80 PolarHBondContact O-N 3.46Å; Y76-V102 HydrophobicContact CD1-CG1 4.21Å; Y76-Y105 HydrophobicContact CE1-CD1 4.07Å; Y76-Y105 AromaticContact CE1-CE1 3.92Å; Y76-Y105 HydrophobicContact CE1-CE1 3.92Å; Y76-Y105 AromaticContact CZ-CE1 3.96Å; Y76-Y105 WeakPolarHBondContact OH-CE1 3.26Å; Y76-V106 HydrophobicContact CD1-CG2 3.66Å; Y76-V106 HydrophobicContact CD2-CG2 3.88Å; Y76-V106 HydrophobicContact CE1-CG2 4.13Å; Y76-V106 HydrophobicContact CE2-CG2 4.31Å; Y76-V106 HydrophobicContact CG-CG2 3.53Å; Y76-L125 WeakPolarHBondContact CB-O 3.09Å |
| 77 | S | 93.3 | Very high | 92 | Very high | 48 Ų | 48 | 56.3 Ų | 56.3 | 34% | 0.336 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63 | -42.4 | 176.8 | 54.5 | 0 | 0 | 0 | 0 | 112 | E75 A81 A124 L125 | E75-S77 PolarHBondContact O-N 2.9Å; S77-A81 VanDerWaalsContact O-CB 3.29Å; S77-A81 WeakPolarHBondContact O-CB 3.37Å; S77-A81 PolarHBondContact O-N 2.98Å; S77-A124 WeakPolarHBondContact CB-O 3.43Å; S77-L125 PolarHBondContact N-O 2.89Å; S77-L125 VanDerWaalsContact N-O 3.08Å |
| 78 | S | 93.1 | Very high | 91.7 | Very high | 50 Ų | 50 | 58.7 Ų | 58.7 | 35% | 0.35 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 174 | -177.6 | 0 | 0 | 0 | 0 | 111.3 | S70 E75 Y76 A81 A82 | S70-S78 PolarHBondContact OG-OG 3.16Å; E75-S78 WeakPolarHBondContact O-CB 3.24Å; E75-S78 PolarHBondContact O-N 3.3Å; Y76-S78 PolarHBondContact O-N 3.1Å; S78-A81 PolarHBondContact O-N 3.17Å; S78-A82 WeakPolarHBondContact O-CB 3.43Å; S78-A82 PolarHBondContact O-N 3Å |
| 79 | A | 93.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.2 | -46.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V67 L71 E75 Y76 A81 A82 L83 | V67-A79 HydrophobicContact CG1-CB 4.23Å; L71-A79 HydrophobicContact CD2-CB 3.61Å; L71-A79 HydrophobicContact CG-CB 3.78Å; E75-A79 PolarHBondContact O-N 3.26Å; Y76-A79 PolarHBondContact O-N 3.38Å; A79-A81 VanDerWaalsContact C-N 3.34Å; A79-A81 PolarHBondContact O-N 3.49Å; A79-A82 PolarHBondContact O-N 3.33Å; A79-L83 WeakPolarHBondContact O-CG 3.32Å; A79-L83 PolarHBondContact O-N 3.1Å |
| 80 | L | 92.2 | Very high | 90.9 | Very high | 13 Ų | 13 | 67.3 Ų | 67.3 | 7% | 0.068 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.8 | -36.8 | 178.1 | -71.4 | 170.3 | 0 | 0 | 0 | 111.9 | Y76 L83 R99 V102 L126 | Y76-L80 WeakPolarHBondContact O-CB 3.43Å; Y76-L80 WeakPolarHBondContact O-CG 3.26Å; Y76-L80 PolarHBondContact O-N 3.46Å; L80-L83 HydrophobicContact CD2-CD1 4.26Å; L80-L83 PolarHBondContact O-N 2.85Å; L80-R99 HydrophobicContact CD2-CG 4.14Å; L80-V102 HydrophobicContact CD2-CB 4.41Å; L80-V102 HydrophobicContact CD2-CG1 4.14Å; L80-V102 HydrophobicContact CG-CG1 4.26Å; L80-L126 HydrophobicContact CD1-CB 4.5Å; L80-L126 HydrophobicContact CD1-CD2 4.14Å; L80-L126 WeakPolarHBondContact CD1-O 3.27Å |
| 81 | A | 92.2 | Very high | 90.6 | Very high | 61 Ų | 61 | 66.9 Ų | 66.9 | 50% | 0.504 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S77 S78 A79 L83 N84 | S77-A81 VanDerWaalsContact O-CB 3.29Å; S77-A81 WeakPolarHBondContact O-CB 3.37Å; S77-A81 PolarHBondContact O-N 2.98Å; S78-A81 PolarHBondContact O-N 3.17Å; A79-A81 VanDerWaalsContact C-N 3.34Å; A79-A81 PolarHBondContact O-N 3.49Å; A81-L83 PolarHBondContact O-N 2.78Å; A81-N84 WeakPolarHBondContact O-CB 3.46Å; A81-N84 PolarHBondContact O-N 3.07Å |
| 82 | A | 91.5 | Very high | 90.4 | Very high | 37 Ų | 37 | 71.4 Ų | 71.4 | 31% | 0.306 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.5 | -23.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V67 S78 A79 N84 | V67-A82 HydrophobicContact CG2-CB 3.77Å; S78-A82 WeakPolarHBondContact O-CB 3.43Å; S78-A82 PolarHBondContact O-N 3Å; A79-A82 PolarHBondContact O-N 3.33Å; A82-N84 VanDerWaalsContact C-N 3.3Å |
| 83 | L | 92.2 | Very high | 90.3 | Very high | 2 Ų | 2 | 71.5 Ų | 71.5 | 1% | 0.01 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -17.6 | 173.4 | -68.4 | 164.6 | 0 | 0 | 0 | 113 | V67 A79 L80 A81 R85 W87 V95 I98 R99 | V67-L83 HydrophobicContact CG1-CD1 4.36Å; V67-L83 HydrophobicContact CG1-CD2 4.07Å; V67-L83 HydrophobicContact CG1-CG 4.08Å; V67-L83 HydrophobicContact CG2-CD2 3.89Å; V67-L83 HydrophobicContact CG2-CG 4.03Å; A79-L83 WeakPolarHBondContact O-CG 3.32Å; A79-L83 PolarHBondContact O-N 3.1Å; L80-L83 HydrophobicContact CD2-CD1 4.26Å; L80-L83 PolarHBondContact O-N 2.85Å; A81-L83 PolarHBondContact O-N 2.78Å; L83-R85 PolarHBondContact O-N 2.83Å; L83-W87 HydrophobicContact CD2-CZ2 4.31Å; L83-W87 PolarHBondContact O-NE1 3.43Å; L83-V95 HydrophobicContact CB-CG1 4.41Å; L83-V95 HydrophobicContact CD2-CG1 3.81Å; L83-I98 HydrophobicContact CD1-CG2 4.11Å; L83-I98 HydrophobicContact CD2-CG2 4.32Å; L83-R99 HydrophobicContact CD1-CB 4.25Å |
| 84 | N | 90 | Very high | 90.1 | Very high | 118 Ų | 118 | 63.8 Ų | 63.8 | 63% | 0.631 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -80.6 | 39.1 | -178.8 | -64.6 | -20.5 | 0 | 0 | 0 | 113.7 | A81 A82 R99 | A81-N84 WeakPolarHBondContact O-CB 3.46Å; A81-N84 PolarHBondContact O-N 3.07Å; A82-N84 VanDerWaalsContact C-N 3.3Å; N84-R99 PolarHBondContact OD1-NH2 3.29Å |
| 85 | R | 88.1 | Confident | 90.1 | Very high | 93 Ų | 93 | 58 Ų | 58 | 35% | 0.351 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -106.6 | 167 | 172.8 | 65.1 | 173.4 | -85.1 | 164.6 | -21.9 | 111 | S59 D60 A63 L83 W87 | S59-R85 PolarHBondContact O-NH2 3.1Å; D60-R85 IonicContact OD1-CZ 3.7Å; D60-R85 IonicContact OD1-NH2 2.66Å; D60-R85 PolarHBondContact OD1-NH2 3.1Å; A63-R85 VanDerWaalsContact CB-CZ 3.46Å; L83-R85 PolarHBondContact O-N 2.83Å; R85-W87 HydrophobicContact CG-CD2 3.9Å; R85-W87 HydrophobicContact CG-CG 4.2Å; R85-W87 HydrophobicContact CG-CH2 4.47Å; R85-W87 HydrophobicContact CG-CZ2 3.68Å; R85-W87 VanDerWaalsContact CG-NE1 3.28Å; R85-W87 PolarHBondContact O-N 3.46Å |
| 86 | D | 87.3 | Confident | 90.1 | Very high | 156 Ų | 156 | 58 Ų | 58 | 83% | 0.834 | 32% | 0.316 | S | S | * | . | trans | -72.2 | 117.4 | 167 | -63.8 | -50.7 | 0 | 0 | 0 | 109.5 | ||||
| 87 | W | 88.4 | Confident | 90 | Very high | 18 Ų | 18 | 59.5 Ų | 59.5 | 7% | 0.068 | 33% | 0.328 | C | S | . | . | trans | -104.1 | 154.4 | 175 | -63.5 | 95.4 | 0 | 0 | 0 | 110.4 | D60 A63 I64 L83 R85 M91 K92 V95 | D60-W87 HydrophobicContact CB-CE3 4.41Å; D60-W87 HydrophobicContact CB-CZ3 4.36Å; A63-W87 HydrophobicContact CB-CH2 3.68Å; A63-W87 HydrophobicContact CB-CZ3 3.93Å; I64-W87 HydrophobicContact CB-CH2 4.12Å; I64-W87 HydrophobicContact CB-CZ3 4.27Å; I64-W87 HydrophobicContact CD1-CH2 3.84Å; I64-W87 HydrophobicContact CD1-CZ2 4.4Å; I64-W87 HydrophobicContact CD1-CZ3 4.27Å; L83-W87 HydrophobicContact CD2-CZ2 4.31Å; L83-W87 PolarHBondContact O-NE1 3.43Å; R85-W87 HydrophobicContact CG-CD2 3.9Å; R85-W87 HydrophobicContact CG-CG 4.2Å; R85-W87 HydrophobicContact CG-CH2 4.47Å; R85-W87 HydrophobicContact CG-CZ2 3.68Å; R85-W87 VanDerWaalsContact CG-NE1 3.28Å; R85-W87 PolarHBondContact O-N 3.46Å; W87-M91 HydrophobicContact CB-CB 4.19Å; W87-M91 HydrophobicContact CE3-CB 4.45Å; W87-K92 HydrophobicContact CB-CG 4.27Å; W87-K92 VanDerWaalsContact O-CE 3.23Å; W87-K92 WeakPolarHBondContact O-CE 3.05Å; W87-V95 HydrophobicContact CD2-CG2 3.63Å; W87-V95 HydrophobicContact CE3-CG2 4.13Å; W87-V95 HydrophobicContact CG-CG1 4.39Å; W87-V95 HydrophobicContact CG-CG2 3.82Å; W87-V95 HydrophobicContact CZ2-CG2 4.17Å | ||
| 88 | S | 87.3 | Confident | 90 | Very high | 50 Ų | 50 | 57.2 Ų | 57.2 | 35% | 0.35 | 31% | 0.312 | S | S | . | . | trans | -58.4 | 151.3 | 169.7 | 52.8 | 0 | 0 | 0 | 0 | 111.8 | D60 K90 M91 K92 | D60-S88 WeakPolarHBondContact OD2-CB 3.3Å; D60-S88 PolarHBondContact OD2-OG 3.06Å; S88-K90 PolarHBondContact O-N 2.7Å; S88-K90 VanDerWaalsContact O-N 3.14Å; S88-M91 PolarHBondContact O-N 2.91Å; S88-M91 VanDerWaalsContact OG-CG 3.26Å; S88-M91 WeakPolarHBondContact OG-CG 3.48Å; S88-K92 PolarHBondContact O-N 2.86Å; S88-K92 VanDerWaalsContact O-N 3.11Å | ||
| 89 | D | 86.3 | Confident | 90 | Very high | 126 Ų | 126 | 57.4 Ų | 57.4 | 67% | 0.674 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -31.3 | -172.9 | -68.5 | -38.6 | 0 | 0 | 0 | 113.5 | K92 P93 | D89-K92 IonicContact OD1-NZ 2.93Å; D89-K92 PolarHBondContact OD1-NZ 3.14Å; D89-P93 WeakPolarHBondContact O-CD 3.36Å |
| 90 | K | 84.5 | Confident | 90 | Very high | 123 Ų | 123 | 60.5 Ų | 60.5 | 54% | 0.535 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -35.3 | 173.9 | -65.5 | -174.4 | 179.8 | -179.3 | 0 | 113 | E25 S88 P93 | E25-K90 IonicContact OE2-NZ 2.82Å; E25-K90 PolarHBondContact OE2-NZ 3.31Å; S88-K90 PolarHBondContact O-N 2.7Å; S88-K90 VanDerWaalsContact O-N 3.14Å; K90-P93 WeakPolarHBondContact O-CD 3.5Å; K90-P93 WeakPolarHBondContact O-CG 3.33Å |
| 91 | M | 86.5 | Confident | 90 | Very high | 5 Ų | 5 | 61.5 Ų | 61.5 | 3% | 0.025 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -26.2 | -174.8 | -70.8 | -59.6 | -59.1 | 0 | 0 | 113.3 | T28 E29 A32 W87 S88 I94 V95 | T28-M91 HydrophobicContact CG2-CE 3.77Å; T28-M91 HydrophobicContact CG2-SD 3.82Å; E29-M91 HydrophobicContact CG-SD 4.19Å; A32-M91 HydrophobicContact CB-CE 3.67Å; W87-M91 HydrophobicContact CB-CB 4.19Å; W87-M91 HydrophobicContact CE3-CB 4.45Å; S88-M91 PolarHBondContact O-N 2.91Å; S88-M91 VanDerWaalsContact OG-CG 3.26Å; S88-M91 WeakPolarHBondContact OG-CG 3.48Å; M91-I94 PolarHBondContact O-N 2.79Å; M91-I94 HydrophobicContact SD-CD1 4.15Å; M91-V95 WeakPolarHBondContact O-CB 3.48Å; M91-V95 WeakPolarHBondContact O-CG2 3.4Å; M91-V95 PolarHBondContact O-N 2.95Å |
| 92 | K | 89.3 | Confident | 90 | Very high | 106 Ų | 106 | 59 Ų | 59 | 46% | 0.461 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -46.8 | -51.3 | 178.4 | -74.3 | 176.9 | -175.8 | 165.4 | 0 | 114.4 | W87 S88 D89 I94 V95 E96 | W87-K92 HydrophobicContact CB-CG 4.27Å; W87-K92 VanDerWaalsContact O-CE 3.23Å; W87-K92 WeakPolarHBondContact O-CE 3.05Å; S88-K92 PolarHBondContact O-N 2.86Å; S88-K92 VanDerWaalsContact O-N 3.11Å; D89-K92 IonicContact OD1-NZ 2.93Å; D89-K92 PolarHBondContact OD1-NZ 3.14Å; K92-I94 VanDerWaalsContact C-N 3.32Å; K92-I94 PolarHBondContact O-N 3.24Å; K92-V95 PolarHBondContact O-N 3.42Å; K92-E96 PolarHBondContact O-N 3.11Å |
| 93 | P | 90.3 | Very high | 90.1 | Very high | 77 Ų | 77 | 57.5 Ų | 57.5 | 50% | 0.5 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.5 | -36.7 | 179.4 | 24.3 | -34.6 | 0 | 0 | 0 | 112.8 | D89 K90 E96 T97 | D89-P93 WeakPolarHBondContact O-CD 3.36Å; K90-P93 WeakPolarHBondContact O-CD 3.5Å; K90-P93 WeakPolarHBondContact O-CG 3.33Å; P93-E96 PolarHBondContact O-N 2.91Å; P93-T97 PolarHBondContact O-N 2.75Å; P93-T97 PolarHBondContact O-OG1 2.85Å |
| 94 | I | 88.5 | Confident | 90.1 | Very high | 17 Ų | 17 | 60.6 Ų | 60.6 | 9% | 0.087 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.6 | -45 | 179.7 | -53.1 | 179.2 | 0 | 0 | 0 | 110.3 | M6 E29 A32 M91 K92 E96 T97 I98 | M6-I94 HydrophobicContact CE-CB 4.15Å; M6-I94 HydrophobicContact CE-CG1 3.89Å; M6-I94 HydrophobicContact CE-CG2 3.75Å; E29-I94 HydrophobicContact CB-CD1 4.35Å; E29-I94 HydrophobicContact CG-CD1 4.01Å; A32-I94 HydrophobicContact CB-CG2 3.5Å; A32-I94 VanDerWaalsContact CB-CG2 3.5Å; M91-I94 PolarHBondContact O-N 2.79Å; M91-I94 HydrophobicContact SD-CD1 4.15Å; K92-I94 VanDerWaalsContact C-N 3.32Å; K92-I94 PolarHBondContact O-N 3.24Å; I94-E96 VanDerWaalsContact C-N 3.31Å; I94-E96 PolarHBondContact O-N 2.95Å; I94-T97 WeakPolarHBondContact O-CB 3.39Å; I94-T97 PolarHBondContact O-N 3Å; I94-T97 VanDerWaalsContact O-N 3.14Å; I94-I98 HydrophobicContact CG2-CD1 4.31Å; I94-I98 WeakPolarHBondContact O-CG1 3.34Å; I94-I98 PolarHBondContact O-N 3.49Å |
| 95 | V | 91.8 | Very high | 90.2 | Very high | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.024 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60 | -41 | 176.5 | 163.3 | 0 | 0 | 0 | 0 | 111.6 | I64 L83 W87 M91 K92 T97 I98 R99 | I64-V95 HydrophobicContact CD1-CG2 4.39Å; L83-V95 HydrophobicContact CB-CG1 4.41Å; L83-V95 HydrophobicContact CD2-CG1 3.81Å; W87-V95 HydrophobicContact CD2-CG2 3.63Å; W87-V95 HydrophobicContact CE3-CG2 4.13Å; W87-V95 HydrophobicContact CG-CG1 4.39Å; W87-V95 HydrophobicContact CG-CG2 3.82Å; W87-V95 HydrophobicContact CZ2-CG2 4.17Å; M91-V95 WeakPolarHBondContact O-CB 3.48Å; M91-V95 WeakPolarHBondContact O-CG2 3.4Å; M91-V95 PolarHBondContact O-N 2.95Å; K92-V95 PolarHBondContact O-N 3.42Å; V95-T97 VanDerWaalsContact C-N 3.33Å; V95-I98 PolarHBondContact O-N 3.2Å; V95-R99 PolarHBondContact O-N 2.96Å |
| 96 | E | 91.9 | Very high | 90.4 | Very high | 88 Ų | 88 | 55.1 Ų | 55.1 | 41% | 0.411 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.6 | -40 | 176.1 | -168.7 | 56.5 | -146.9 | 0 | 0 | 111.2 | K92 P93 I94 I98 R99 T100 | K92-E96 PolarHBondContact O-N 3.11Å; P93-E96 PolarHBondContact O-N 2.91Å; I94-E96 VanDerWaalsContact C-N 3.31Å; I94-E96 PolarHBondContact O-N 2.95Å; E96-I98 VanDerWaalsContact C-N 3.33Å; E96-I98 PolarHBondContact O-N 3.38Å; E96-R99 WeakPolarHBondContact O-CB 3.34Å; E96-R99 PolarHBondContact O-N 3.26Å; E96-R99 VanDerWaalsContact O-N 3.15Å; E96-R99 IonicContact OE2-CZ 2.79Å; E96-R99 IonicContact OE2-NH1 2.69Å; E96-R99 PolarHBondContact OE2-NH1 3.46Å; E96-T100 PolarHBondContact O-N 3.31Å; E96-T100 PolarHBondContact O-OG1 3.37Å; E96-T100 VanDerWaalsContact O-OG1 3.11Å |
| 97 | T | 92.4 | Very high | 90.7 | Very high | 58 Ų | 58 | 47.7 Ų | 47.7 | 36% | 0.356 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60 | -43.8 | 174.2 | -53.2 | 0 | 0 | 0 | 0 | 111.3 | P93 I94 V95 T100 S101 | P93-T97 PolarHBondContact O-N 2.75Å; P93-T97 PolarHBondContact O-OG1 2.85Å; I94-T97 WeakPolarHBondContact O-CB 3.39Å; I94-T97 PolarHBondContact O-N 3Å; I94-T97 VanDerWaalsContact O-N 3.14Å; V95-T97 VanDerWaalsContact C-N 3.33Å; T97-T100 PolarHBondContact O-N 3.36Å; T97-S101 WeakPolarHBondContact O-CB 3.34Å; T97-S101 PolarHBondContact O-N 3.3Å |
| 98 | I | 92.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 174.4 | -66.3 | 166.9 | 0 | 0 | 0 | 110.5 | A32 I35 I64 L83 I94 V95 E96 T100 S101 V102 | A32-I98 HydrophobicContact CB-CD1 4Å; A32-I98 WeakPolarHBondContact O-CD1 3.36Å; I35-I98 HydrophobicContact CB-CD1 4.38Å; I35-I98 HydrophobicContact CG2-CD1 4.2Å; I35-I98 HydrophobicContact CG2-CG1 4.3Å; I35-I98 HydrophobicContact CG2-CG2 3.79Å; I64-I98 HydrophobicContact CD1-CD1 3.78Å; L83-I98 HydrophobicContact CD1-CG2 4.11Å; L83-I98 HydrophobicContact CD2-CG2 4.32Å; I94-I98 HydrophobicContact CG2-CD1 4.31Å; I94-I98 WeakPolarHBondContact O-CG1 3.34Å; I94-I98 PolarHBondContact O-N 3.49Å; V95-I98 PolarHBondContact O-N 3.2Å; E96-I98 VanDerWaalsContact C-N 3.33Å; E96-I98 PolarHBondContact O-N 3.38Å; I98-T100 VanDerWaalsContact C-N 3.33Å; I98-T100 PolarHBondContact O-N 3.17Å; I98-S101 PolarHBondContact O-N 3.09Å; I98-V102 HydrophobicContact CG2-CG2 4.09Å; I98-V102 WeakPolarHBondContact O-CB 3.26Å; I98-V102 VanDerWaalsContact O-CG2 3.31Å; I98-V102 WeakPolarHBondContact O-CG2 3.45Å; I98-V102 PolarHBondContact O-N 2.97Å |
| 99 | R | 93.3 | Very high | 91.1 | Very high | 53 Ų | 53 | 48.6 Ų | 48.6 | 20% | 0.2 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.3 | -48 | 178.3 | -179.8 | -178.7 | -75.2 | 144.1 | -5.5 | 110.5 | L80 L83 N84 V95 E96 N103 | L80-R99 HydrophobicContact CD2-CG 4.14Å; L83-R99 HydrophobicContact CD1-CB 4.25Å; N84-R99 PolarHBondContact OD1-NH2 3.29Å; V95-R99 PolarHBondContact O-N 2.96Å; E96-R99 WeakPolarHBondContact O-CB 3.34Å; E96-R99 PolarHBondContact O-N 3.26Å; E96-R99 VanDerWaalsContact O-N 3.15Å; E96-R99 IonicContact OE2-CZ 2.79Å; E96-R99 IonicContact OE2-NH1 2.69Å; E96-R99 PolarHBondContact OE2-NH1 3.46Å; R99-N103 WeakPolarHBondContact O-CB 3.48Å; R99-N103 PolarHBondContact O-N 3.39Å; R99-N103 VanDerWaalsContact O-N 3.08Å; R99-N103 PolarHBondContact O-ND2 3.18Å |
| 100 | T | 92.6 | Very high | 91.4 | Very high | 65 Ų | 65 | 42.9 Ų | 42.9 | 40% | 0.399 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.5 | -44.6 | 177.8 | -53 | 0 | 0 | 0 | 0 | 111.7 | E96 T97 I98 N103 N104 | E96-T100 PolarHBondContact O-N 3.31Å; E96-T100 PolarHBondContact O-OG1 3.37Å; E96-T100 VanDerWaalsContact O-OG1 3.11Å; T97-T100 PolarHBondContact O-N 3.36Å; I98-T100 VanDerWaalsContact C-N 3.33Å; I98-T100 PolarHBondContact O-N 3.17Å; T100-N103 PolarHBondContact O-N 3.31Å; T100-N104 WeakPolarHBondContact O-CB 3.42Å; T100-N104 VanDerWaalsContact O-CG 3.29Å; T100-N104 PolarHBondContact O-N 3.45Å; T100-N104 PolarHBondContact O-ND2 2.64Å |
| 101 | S | 92.6 | Very high | 91.7 | Very high | 35 Ų | 35 | 38.6 Ų | 38.6 | 25% | 0.245 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.2 | -49.7 | 178.9 | 179.2 | 0 | 0 | 0 | 0 | 112 | S36 T97 I98 N103 N104 Y105 | S36-S101 WeakPolarHBondContact O-CB 3.42Å; S36-S101 PolarHBondContact O-OG 3.14Å; T97-S101 WeakPolarHBondContact O-CB 3.34Å; T97-S101 PolarHBondContact O-N 3.3Å; I98-S101 PolarHBondContact O-N 3.09Å; S101-N103 PolarHBondContact O-N 2.87Å; S101-N104 PolarHBondContact O-N 3.19Å; S101-Y105 WeakPolarHBondContact O-CB 3.47Å; S101-Y105 PolarHBondContact O-N 3.12Å |
| 102 | V | 93.2 | Very high | 91.9 | Very high | 7 Ų | 7 | 45 Ų | 45 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.3 | -44.4 | 178.4 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | L71 Y76 L80 I98 Y105 V106 | L71-V102 HydrophobicContact CD1-CG2 3.98Å; L71-V102 HydrophobicContact CD2-CG1 3.91Å; L71-V102 HydrophobicContact CD2-CG2 3.8Å; Y76-V102 HydrophobicContact CD1-CG1 4.21Å; L80-V102 HydrophobicContact CD2-CB 4.41Å; L80-V102 HydrophobicContact CD2-CG1 4.14Å; L80-V102 HydrophobicContact CG-CG1 4.26Å; I98-V102 HydrophobicContact CG2-CG2 4.09Å; I98-V102 WeakPolarHBondContact O-CB 3.26Å; I98-V102 VanDerWaalsContact O-CG2 3.31Å; I98-V102 WeakPolarHBondContact O-CG2 3.45Å; I98-V102 PolarHBondContact O-N 2.97Å; V102-Y105 PolarHBondContact O-N 2.71Å; V102-V106 WeakPolarHBondContact O-CG2 3.41Å; V102-V106 PolarHBondContact O-N 3.11Å |
| 103 | N | 92.5 | Very high | 91.9 | Very high | 7 Ų | 7 | 43.4 Ų | 43.4 | 4% | 0.037 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.5 | -51.3 | 176.1 | -80.4 | -62.9 | 0 | 0 | 0 | 110.9 | R99 T100 S101 Y105 V106 F107 L126 R128 | R99-N103 WeakPolarHBondContact O-CB 3.48Å; R99-N103 PolarHBondContact O-N 3.39Å; R99-N103 VanDerWaalsContact O-N 3.08Å; R99-N103 PolarHBondContact O-ND2 3.18Å; T100-N103 PolarHBondContact O-N 3.31Å; S101-N103 PolarHBondContact O-N 2.87Å; N103-Y105 VanDerWaalsContact C-N 3.27Å; N103-Y105 PolarHBondContact O-N 2.8Å; N103-V106 PolarHBondContact O-N 3.35Å; N103-F107 WeakPolarHBondContact O-CD2 3.22Å; N103-F107 PolarHBondContact O-N 3.14Å; N103-L126 WeakPolarHBondContact OD1-CD2 3.43Å; N103-R128 PolarHBondContact ND2-NH2 3.13Å; N103-R128 PolarHBondContact OD1-NH2 3.2Å |
| 104 | N | 92.8 | Very high | 91.9 | Very high | 67 Ų | 67 | 45.1 Ų | 45.1 | 36% | 0.358 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.7 | -40.1 | 179.9 | -74.6 | -19.3 | 0 | 0 | 0 | 112.3 | T100 S101 F107 T108 R140 | T100-N104 WeakPolarHBondContact O-CB 3.42Å; T100-N104 VanDerWaalsContact O-CG 3.29Å; T100-N104 PolarHBondContact O-N 3.45Å; T100-N104 PolarHBondContact O-ND2 2.64Å; S101-N104 PolarHBondContact O-N 3.19Å; N104-F107 PolarHBondContact O-N 2.69Å; N104-T108 WeakPolarHBondContact O-CB 3.33Å; N104-T108 PolarHBondContact O-N 3.15Å; N104-T108 PolarHBondContact O-OG1 3.44Å; N104-R140 PolarHBondContact OD1-NH2 3.21Å |
| 105 | Y | 92.7 | Very high | 91.9 | Very high | 91 Ų | 91 | 48.4 Ų | 48.4 | 36% | 0.357 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.3 | -48.1 | 175.6 | 174.9 | -99 | 0 | 0 | 0 | 111.7 | Y76 S101 V102 N103 F107 T108 A109 | Y76-Y105 HydrophobicContact CE1-CD1 4.07Å; Y76-Y105 AromaticContact CE1-CE1 3.92Å; Y76-Y105 HydrophobicContact CE1-CE1 3.92Å; Y76-Y105 AromaticContact CZ-CE1 3.96Å; Y76-Y105 WeakPolarHBondContact OH-CE1 3.26Å; S101-Y105 WeakPolarHBondContact O-CB 3.47Å; S101-Y105 PolarHBondContact O-N 3.12Å; V102-Y105 PolarHBondContact O-N 2.71Å; N103-Y105 VanDerWaalsContact C-N 3.27Å; N103-Y105 PolarHBondContact O-N 2.8Å; Y105-F107 PolarHBondContact O-N 3.44Å; Y105-T108 PolarHBondContact O-N 3.43Å; Y105-A109 VanDerWaalsContact O-CB 3.31Å; Y105-A109 WeakPolarHBondContact O-CB 3.47Å; Y105-A109 PolarHBondContact O-N 2.72Å |
| 106 | V | 92.9 | Very high | 91.8 | Very high | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.024 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.5 | -46 | 178.6 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | Y76 V102 N103 T108 A109 V110 L126 | Y76-V106 HydrophobicContact CD1-CG2 3.66Å; Y76-V106 HydrophobicContact CD2-CG2 3.88Å; Y76-V106 HydrophobicContact CE1-CG2 4.13Å; Y76-V106 HydrophobicContact CE2-CG2 4.31Å; Y76-V106 HydrophobicContact CG-CG2 3.53Å; V102-V106 WeakPolarHBondContact O-CG2 3.41Å; V102-V106 PolarHBondContact O-N 3.11Å; N103-V106 PolarHBondContact O-N 3.35Å; V106-T108 PolarHBondContact O-N 3.04Å; V106-A109 PolarHBondContact O-N 3.3Å; V106-V110 VanDerWaalsContact O-CG2 3.3Å; V106-V110 WeakPolarHBondContact O-CG2 2.96Å; V106-V110 PolarHBondContact O-N 2.87Å; V106-L126 HydrophobicContact CB-CD2 3.85Å; V106-L126 HydrophobicContact CG1-CD2 3.66Å; V106-L126 HydrophobicContact CG1-CG 4.18Å; V106-L126 HydrophobicContact CG2-CD2 4.23Å |
| 107 | F | 92.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.9 | -46.8 | 176.5 | -81.7 | -75.2 | 0 | 0 | 0 | 112.1 | N103 N104 Y105 A109 V110 E111 L122 L126 E136 R140 W142 | N103-F107 WeakPolarHBondContact O-CD2 3.22Å; N103-F107 PolarHBondContact O-N 3.14Å; N104-F107 PolarHBondContact O-N 2.69Å; Y105-F107 PolarHBondContact O-N 3.44Å; F107-A109 VanDerWaalsContact C-N 3.29Å; F107-A109 PolarHBondContact O-N 3.34Å; F107-V110 PolarHBondContact O-N 2.88Å; F107-V110 VanDerWaalsContact O-N 3.15Å; F107-E111 WeakPolarHBondContact O-CG 3.41Å; F107-E111 PolarHBondContact O-N 3.31Å; F107-L122 HydrophobicContact CE1-CD2 4.19Å; F107-L126 HydrophobicContact CE1-CD1 4.49Å; F107-L126 HydrophobicContact CE2-CD1 3.77Å; F107-L126 HydrophobicContact CZ-CD1 3.71Å; F107-E136 HydrophobicContact CE1-CB 4.46Å; F107-E136 HydrophobicContact CE2-CB 4.35Å; F107-E136 WeakPolarHBondContact CE2-OE2 3.39Å; F107-E136 HydrophobicContact CZ-CB 3.76Å; F107-R140 VanDerWaalsContact CB-CZ 3.43Å; F107-W142 AromaticContact CD1-CH2 3.76Å; F107-W142 HydrophobicContact CD1-CH2 3.76Å; F107-W142 AromaticContact CD1-CZ2 3.69Å; F107-W142 HydrophobicContact CD1-CZ2 3.69Å; F107-W142 HydrophobicContact CE1-CH2 4.28Å; F107-W142 HydrophobicContact CE1-CZ2 4.46Å |
| 108 | T | 91.8 | Very high | 91.9 | Very high | 50 Ų | 50 | 45.9 Ų | 45.9 | 31% | 0.307 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.5 | -37.7 | 178.6 | -54.5 | 0 | 0 | 0 | 0 | 111.6 | N104 Y105 V106 K112 | N104-T108 WeakPolarHBondContact O-CB 3.33Å; N104-T108 PolarHBondContact O-N 3.15Å; N104-T108 PolarHBondContact O-OG1 3.44Å; Y105-T108 PolarHBondContact O-N 3.43Å; V106-T108 PolarHBondContact O-N 3.04Å; T108-K112 HydrophobicContact CG2-CD 4.34Å; T108-K112 WeakPolarHBondContact O-CG 3.33Å; T108-K112 PolarHBondContact O-N 3.5Å |
| 109 | A | 91.8 | Very high | 91.9 | Very high | 38 Ų | 38 | 46.3 Ų | 46.3 | 31% | 0.314 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.2 | -41.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y105 V106 F107 K112 A113 | Y105-A109 VanDerWaalsContact O-CB 3.31Å; Y105-A109 WeakPolarHBondContact O-CB 3.47Å; Y105-A109 PolarHBondContact O-N 2.72Å; V106-A109 PolarHBondContact O-N 3.3Å; F107-A109 VanDerWaalsContact C-N 3.29Å; F107-A109 PolarHBondContact O-N 3.34Å; A109-K112 PolarHBondContact O-N 3.28Å; A109-A113 VanDerWaalsContact O-CB 3.27Å; A109-A113 WeakPolarHBondContact O-CB 3.34Å; A109-A113 PolarHBondContact O-N 3.18Å |
| 110 | V | 92.9 | Very high | 91.9 | Very high | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.03 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66 | -42.3 | 177.1 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | V106 F107 K112 A113 Y114 I117 L122 L125 W142 P153 | V106-V110 VanDerWaalsContact O-CG2 3.3Å; V106-V110 WeakPolarHBondContact O-CG2 2.96Å; V106-V110 PolarHBondContact O-N 2.87Å; F107-V110 PolarHBondContact O-N 2.88Å; F107-V110 VanDerWaalsContact O-N 3.15Å; V110-K112 PolarHBondContact O-N 2.91Å; V110-A113 PolarHBondContact O-N 3.19Å; V110-Y114 HydrophobicContact CB-CD2 4.42Å; V110-Y114 HydrophobicContact CG1-CD2 4.09Å; V110-Y114 HydrophobicContact CG2-CD2 4.45Å; V110-Y114 PolarHBondContact O-N 3.37Å; V110-I117 HydrophobicContact CG1-CB 4.49Å; V110-I117 HydrophobicContact CG1-CD1 3.77Å; V110-I117 HydrophobicContact CG1-CG2 4.04Å; V110-I117 HydrophobicContact CG2-CD1 4.23Å; V110-L122 HydrophobicContact CG1-CD1 4.46Å; V110-L122 HydrophobicContact CG2-CD1 3.93Å; V110-L125 HydrophobicContact CG2-CD1 4.43Å; V110-W142 HydrophobicContact CB-CH2 4.03Å; V110-W142 HydrophobicContact CG1-CH2 3.5Å; V110-W142 VanDerWaalsContact CG1-CH2 3.5Å; V110-W142 HydrophobicContact CG1-CZ2 4.37Å; V110-W142 HydrophobicContact CG1-CZ3 4.05Å; V110-P153 HydrophobicContact CG1-CG 4.04Å |
| 111 | E | 91.4 | Very high | 91.9 | Very high | 33 Ų | 33 | 50.7 Ų | 50.7 | 15% | 0.154 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.3 | -36.9 | 175.1 | -75.4 | 164.3 | -178.3 | 0 | 0 | 112.9 | F107 R140 W142 P153 | F107-E111 WeakPolarHBondContact O-CG 3.41Å; F107-E111 PolarHBondContact O-N 3.31Å; E111-R140 IonicContact OE1-NE 2.8Å; E111-W142 HydrophobicContact CG-CZ2 3.51Å; E111-W142 PolarHBondContact OE1-NE1 2.83Å; E111-P153 HydrophobicContact CB-CB 4.31Å; E111-P153 HydrophobicContact CG-CB 3.92Å |
| 112 | K | 90.1 | Very high | 91.9 | Very high | 139 Ų | 139 | 49 Ų | 49 | 60% | 0.604 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -79.6 | -36 | 178.7 | -71.5 | 172.9 | -178.2 | 179.3 | 0 | 113 | T108 A109 V110 P156 | T108-K112 HydrophobicContact CG2-CD 4.34Å; T108-K112 WeakPolarHBondContact O-CG 3.33Å; T108-K112 PolarHBondContact O-N 3.5Å; A109-K112 PolarHBondContact O-N 3.28Å; V110-K112 PolarHBondContact O-N 2.91Å; K112-P156 HydrophobicContact CG-CG 3.76Å |
| 113 | A | 90.1 | Very high | 91.9 | Very high | 74 Ų | 74 | 49 Ų | 49 | 61% | 0.612 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -94.7 | -28.5 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A109 V110 | A109-A113 VanDerWaalsContact O-CB 3.27Å; A109-A113 WeakPolarHBondContact O-CB 3.34Å; A109-A113 PolarHBondContact O-N 3.18Å; V110-A113 PolarHBondContact O-N 3.19Å |
| 114 | Y | 89.3 | Confident | 92 | Very high | 112 Ų | 112 | 51.9 Ų | 51.9 | 44% | 0.439 | 30% | 0.295 | S | S | . | . | trans | -117.6 | 129.2 | -170.8 | -67.6 | -91.5 | 0 | 0 | 0 | 112.1 | V110 I117 P153 | V110-Y114 HydrophobicContact CB-CD2 4.42Å; V110-Y114 HydrophobicContact CG1-CD2 4.09Å; V110-Y114 HydrophobicContact CG2-CD2 4.45Å; V110-Y114 PolarHBondContact O-N 3.37Å; Y114-I117 HydrophobicContact CD1-CB 4.48Å; Y114-I117 HydrophobicContact CD2-CD1 4.38Å; Y114-I117 HydrophobicContact CG-CB 4.41Å; Y114-I117 HydrophobicContact CG-CD1 4.42Å; Y114-P153 WeakPolarHBondContact O-CG 3.31Å | ||
| 115 | S | 88.6 | Confident | 91.9 | Very high | 86 Ų | 86 | 51.5 Ų | 51.5 | 60% | 0.601 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -77.9 | -32.8 | 166.4 | -53 | 0 | 0 | 0 | 0 | 111.9 | ||
| 116 | C | 90.3 | Very high | 91.9 | Very high | 66 Ų | 66 | 47.2 Ų | 47.2 | 45% | 0.446 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -145.5 | 144.1 | 171.8 | 61.5 | 0 | 0 | 0 | 0 | 109.8 | L151 | C116-L151 CarbonylContact C-O 3.59Å; C116-L151 VanDerWaalsContact CA-O 3.31Å; C116-L151 WeakPolarHBondContact CA-O 3.19Å |
| 117 | I | 93 | Very high | 91.8 | Very high | 7 Ų | 7 | 49.7 Ų | 49.7 | 4% | 0.036 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 143.2 | 178.7 | -170.6 | 168 | 0 | 0 | 0 | 110 | V110 Y114 L122 L125 W142 Y150 L151 P153 | V110-I117 HydrophobicContact CG1-CB 4.49Å; V110-I117 HydrophobicContact CG1-CD1 3.77Å; V110-I117 HydrophobicContact CG1-CG2 4.04Å; V110-I117 HydrophobicContact CG2-CD1 4.23Å; Y114-I117 HydrophobicContact CD1-CB 4.48Å; Y114-I117 HydrophobicContact CD2-CD1 4.38Å; Y114-I117 HydrophobicContact CG-CB 4.41Å; Y114-I117 HydrophobicContact CG-CD1 4.42Å; I117-L122 HydrophobicContact CD1-CB 4.18Å; I117-L122 HydrophobicContact CD1-CD1 4.28Å; I117-L125 HydrophobicContact CD1-CD1 4.43Å; I117-W142 HydrophobicContact CG2-CZ3 4.1Å; I117-Y150 WeakPolarHBondContact O-CA 3.45Å; I117-L151 HydrophobicContact CG2-CB 4.34Å; I117-L151 PolarHBondContact N-O 2.94Å; I117-L151 PolarHBondContact O-N 2.85Å; I117-P153 HydrophobicContact CG2-CG 4.32Å |
| 118 | S | 93.3 | Very high | 91.6 | Very high | 25 Ų | 25 | 53 Ų | 53 | 18% | 0.175 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 142.4 | 173.7 | 85.6 | 0 | 0 | 0 | 0 | 110.8 | K120 S121 L122 S149 | S118-K120 PolarHBondContact O-N 3.33Å; S118-S121 PolarHBondContact O-N 2.98Å; S118-S121 VanDerWaalsContact O-N 3.15Å; S118-S121 VanDerWaalsContact OG-CB 3.3Å; S118-S121 WeakPolarHBondContact OG-CB 3.34Å; S118-S121 PolarHBondContact OG-N 3.36Å; S118-S121 PolarHBondContact OG-OG 2.83Å; S118-L122 PolarHBondContact O-N 3.47Å; S118-L122 VanDerWaalsContact O-N 3.12Å; S118-S149 CarbonylContact C-O 3.59Å; S118-S149 WeakPolarHBondContact CA-O 3.49Å |
| 119 | V | 92.1 | Very high | 91.6 | Very high | 8 Ų | 8 | 56.3 Ų | 56.3 | 5% | 0.048 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.8 | -40.4 | 177.4 | 179.5 | 0 | 0 | 0 | 0 | 110.5 | S121 L122 A123 E130 L134 S149 L151 | V119-S121 PolarHBondContact O-N 3.45Å; V119-L122 PolarHBondContact O-N 3.25Å; V119-A123 VanDerWaalsContact O-CB 3.31Å; V119-A123 WeakPolarHBondContact O-CB 3.48Å; V119-A123 PolarHBondContact O-N 3.38Å; V119-E130 HydrophobicContact CG1-CB 3.77Å; V119-E130 HydrophobicContact CG1-CG 4.18Å; V119-L134 HydrophobicContact CG2-CD1 4.44Å; V119-S149 WeakPolarHBondContact CG2-O 3.21Å; V119-S149 PolarHBondContact N-O 3.08Å; V119-L151 HydrophobicContact CG2-CD1 3.91Å; V119-L151 HydrophobicContact CG2-CG 3.86Å |
| 120 | K | 93.4 | Very high | 91.5 | Very high | 150 Ų | 150 | 59.1 Ų | 59.1 | 65% | 0.652 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -61.3 | -42.4 | 177.3 | -175.7 | 175.4 | -179.2 | 177.3 | 0 | 113.1 | S118 L122 A123 A124 | S118-K120 PolarHBondContact O-N 3.33Å; K120-L122 VanDerWaalsContact C-N 3.35Å; K120-A123 PolarHBondContact O-N 3.08Å; K120-A124 WeakPolarHBondContact O-CB 3.47Å; K120-A124 PolarHBondContact O-N 2.86Å |
| 121 | S | 92.5 | Very high | 91.4 | Very high | 61 Ų | 61 | 64.9 Ų | 64.9 | 43% | 0.427 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65 | -41.1 | 177 | -63.6 | 0 | 0 | 0 | 0 | 111.4 | S118 V119 A124 L125 | S118-S121 PolarHBondContact O-N 2.98Å; S118-S121 VanDerWaalsContact O-N 3.15Å; S118-S121 VanDerWaalsContact OG-CB 3.3Å; S118-S121 WeakPolarHBondContact OG-CB 3.34Å; S118-S121 PolarHBondContact OG-N 3.36Å; S118-S121 PolarHBondContact OG-OG 2.83Å; V119-S121 PolarHBondContact O-N 3.45Å; S121-A124 PolarHBondContact O-N 3.25Å; S121-L125 WeakPolarHBondContact O-CG 3.23Å; S121-L125 PolarHBondContact O-N 2.75Å |
| 122 | L | 92.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -68.6 | -40.9 | 178.2 | -172.1 | 60.3 | 0 | 0 | 0 | 111.9 | F107 V110 I117 S118 V119 K120 A124 L125 L126 V133 W142 L151 | F107-L122 HydrophobicContact CE1-CD2 4.19Å; V110-L122 HydrophobicContact CG1-CD1 4.46Å; V110-L122 HydrophobicContact CG2-CD1 3.93Å; I117-L122 HydrophobicContact CD1-CB 4.18Å; I117-L122 HydrophobicContact CD1-CD1 4.28Å; S118-L122 PolarHBondContact O-N 3.47Å; S118-L122 VanDerWaalsContact O-N 3.12Å; V119-L122 PolarHBondContact O-N 3.25Å; K120-L122 VanDerWaalsContact C-N 3.35Å; L122-A124 VanDerWaalsContact C-N 3.32Å; L122-A124 PolarHBondContact O-N 2.91Å; L122-L125 WeakPolarHBondContact O-CB 3.35Å; L122-L125 PolarHBondContact O-N 3.43Å; L122-L126 HydrophobicContact CD1-CD1 4.42Å; L122-L126 HydrophobicContact CG-CD1 4.41Å; L122-L126 PolarHBondContact O-N 2.98Å; L122-L126 VanDerWaalsContact O-N 3.08Å; L122-V133 HydrophobicContact CB-CG1 3.95Å; L122-V133 HydrophobicContact CD2-CG1 3.32Å; L122-V133 HydrophobicContact CG-CG1 3.39Å; L122-W142 HydrophobicContact CD2-CH2 4.03Å; L122-W142 HydrophobicContact CD2-CZ3 3.63Å; L122-L151 HydrophobicContact CD2-CD1 4.42Å |
| 123 | A | 93.7 | Very high | 91.4 | Very high | 7 Ų | 7 | 61.5 Ų | 61.5 | 6% | 0.058 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.3 | -42.4 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | V119 K120 L125 L126 G127 R128 E130 V133 | V119-A123 VanDerWaalsContact O-CB 3.31Å; V119-A123 WeakPolarHBondContact O-CB 3.48Å; V119-A123 PolarHBondContact O-N 3.38Å; K120-A123 PolarHBondContact O-N 3.08Å; A123-L125 VanDerWaalsContact C-N 3.34Å; A123-L125 PolarHBondContact O-N 3.41Å; A123-L126 PolarHBondContact O-N 2.98Å; A123-G127 WeakPolarHBondContact O-CA 3.47Å; A123-G127 PolarHBondContact O-N 2.99Å; A123-R128 WeakPolarHBondContact CB-O 3.31Å; A123-R128 PolarHBondContact O-N 3.29Å; A123-E130 HydrophobicContact CB-CG 3.82Å; A123-V133 HydrophobicContact CB-CG2 4.47Å |
| 124 | A | 93.1 | Very high | 91.4 | Very high | 67 Ų | 67 | 60.2 Ų | 60.2 | 55% | 0.554 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -65.3 | -35.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S77 K120 S121 L122 | S77-A124 WeakPolarHBondContact CB-O 3.43Å; K120-A124 WeakPolarHBondContact O-CB 3.47Å; K120-A124 PolarHBondContact O-N 2.86Å; S121-A124 PolarHBondContact O-N 3.25Å; L122-A124 VanDerWaalsContact C-N 3.32Å; L122-A124 PolarHBondContact O-N 2.91Å |
| 125 | L | 91.7 | Very high | 91.5 | Very high | 58 Ų | 58 | 60 Ų | 60 | 30% | 0.304 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.8 | -45 | 175.7 | -77.5 | 166.8 | 0 | 0 | 0 | 111.7 | Y76 S77 V110 I117 S121 L122 A123 | Y76-L125 WeakPolarHBondContact CB-O 3.09Å; S77-L125 PolarHBondContact N-O 2.89Å; S77-L125 VanDerWaalsContact N-O 3.08Å; V110-L125 HydrophobicContact CG2-CD1 4.43Å; I117-L125 HydrophobicContact CD1-CD1 4.43Å; S121-L125 WeakPolarHBondContact O-CG 3.23Å; S121-L125 PolarHBondContact O-N 2.75Å; L122-L125 WeakPolarHBondContact O-CB 3.35Å; L122-L125 PolarHBondContact O-N 3.43Å; A123-L125 VanDerWaalsContact C-N 3.34Å; A123-L125 PolarHBondContact O-N 3.41Å |
| 126 | L | 92.1 | Very high | 91.6 | Very high | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -85 | -17.1 | -177.8 | -67.1 | 170.6 | 0 | 0 | 0 | 113.4 | L80 N103 V106 F107 L122 A123 R128 V133 | L80-L126 HydrophobicContact CD1-CB 4.5Å; L80-L126 HydrophobicContact CD1-CD2 4.14Å; L80-L126 WeakPolarHBondContact CD1-O 3.27Å; N103-L126 WeakPolarHBondContact OD1-CD2 3.43Å; V106-L126 HydrophobicContact CB-CD2 3.85Å; V106-L126 HydrophobicContact CG1-CD2 3.66Å; V106-L126 HydrophobicContact CG1-CG 4.18Å; V106-L126 HydrophobicContact CG2-CD2 4.23Å; F107-L126 HydrophobicContact CE1-CD1 4.49Å; F107-L126 HydrophobicContact CE2-CD1 3.77Å; F107-L126 HydrophobicContact CZ-CD1 3.71Å; L122-L126 HydrophobicContact CD1-CD1 4.42Å; L122-L126 HydrophobicContact CG-CD1 4.41Å; L122-L126 PolarHBondContact O-N 2.98Å; L122-L126 VanDerWaalsContact O-N 3.08Å; A123-L126 PolarHBondContact O-N 2.98Å; L126-R128 VanDerWaalsContact C-N 3.3Å; L126-R128 HydrophobicContact CB-CB 4.42Å; L126-R128 HydrophobicContact CB-CG 4.31Å; L126-V133 HydrophobicContact CD1-CG1 4.34Å; L126-V133 HydrophobicContact CD1-CG2 3.93Å |
| 127 | G | 90.7 | Very high | 91.6 | Very high | 56 Ų | 56 | 55.4 Ų | 55.4 | 58% | 0.577 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | 29.2 | -173 | 0 | 0 | 0 | 0 | 0 | 113.4 | A123 | A123-G127 WeakPolarHBondContact O-CA 3.47Å; A123-G127 PolarHBondContact O-N 2.99Å |
| 128 | R | 89.1 | Confident | 91.4 | Very high | 70 Ų | 70 | 58.9 Ų | 58.9 | 26% | 0.264 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -113.9 | 169.6 | -178.2 | -71.4 | -175.9 | -179.5 | 179 | -6.6 | 111.6 | N103 A123 L126 V133 E136 | N103-R128 PolarHBondContact ND2-NH2 3.13Å; N103-R128 PolarHBondContact OD1-NH2 3.2Å; A123-R128 WeakPolarHBondContact CB-O 3.31Å; A123-R128 PolarHBondContact O-N 3.29Å; L126-R128 VanDerWaalsContact C-N 3.3Å; L126-R128 HydrophobicContact CB-CB 4.42Å; L126-R128 HydrophobicContact CB-CG 4.31Å; R128-V133 HydrophobicContact CB-CG2 3.79Å; R128-E136 IonicContact NH1-OE1 3.29Å; R128-E136 PolarHBondContact NH1-OE1 3.25Å; R128-E136 IonicContact NH1-OE2 2.68Å; R128-E136 PolarHBondContact NH1-OE2 3.26Å |
| 129 | L | 91.2 | Very high | 91.3 | Very high | 119 Ų | 119 | 66 Ų | 66 | 62% | 0.623 | 35% | 0.347 | S | S | * | . | trans | -70 | 147.3 | 173.6 | -66.4 | 172.1 | 0 | 0 | 0 | 110.7 | D131 E132 V133 | L129-D131 PolarHBondContact O-N 3.2Å; L129-E132 HydrophobicContact CB-CG 4.27Å; L129-E132 PolarHBondContact O-N 3.33Å; L129-V133 PolarHBondContact O-N 3.21Å | ||
| 130 | E | 91 | Very high | 91 | Very high | 96 Ų | 96 | 69.2 Ų | 69.2 | 45% | 0.449 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -57.3 | -39.1 | -179 | -67.3 | -176.8 | -172.7 | 0 | 0 | 111.9 | V119 A123 V133 L134 | V119-E130 HydrophobicContact CG1-CB 3.77Å; V119-E130 HydrophobicContact CG1-CG 4.18Å; A123-E130 HydrophobicContact CB-CG 3.82Å; E130-V133 PolarHBondContact O-N 3.35Å; E130-L134 WeakPolarHBondContact O-CB 3.44Å; E130-L134 PolarHBondContact O-N 3.27Å |
| 131 | D | 90.1 | Very high | 90.8 | Very high | 126 Ų | 126 | 64.1 Ų | 64.1 | 67% | 0.674 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -64 | -42 | 178.8 | -68.4 | -32.4 | 0 | 0 | 0 | 112.9 | L129 L134 Q135 | L129-D131 PolarHBondContact O-N 3.2Å; D131-L134 PolarHBondContact O-N 3.4Å; D131-Q135 VanDerWaalsContact O-CG 3.32Å; D131-Q135 WeakPolarHBondContact O-CG 3.37Å; D131-Q135 PolarHBondContact O-N 2.96Å |
| 132 | E | 91 | Very high | 90.7 | Very high | 102 Ų | 102 | 61.4 Ų | 61.4 | 48% | 0.477 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65 | -44.5 | -179.4 | -66.5 | -178.7 | 161.7 | 0 | 0 | 111 | L129 L134 Q135 E136 | L129-E132 HydrophobicContact CB-CG 4.27Å; L129-E132 PolarHBondContact O-N 3.33Å; E132-L134 VanDerWaalsContact C-N 3.33Å; E132-Q135 PolarHBondContact O-N 2.91Å; E132-E136 PolarHBondContact O-N 3.33Å |
| 133 | V | 91 | Very high | 90.5 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.2 | -38.6 | 179.6 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | L122 A123 L126 R128 L129 E130 E136 S137 | L122-V133 HydrophobicContact CB-CG1 3.95Å; L122-V133 HydrophobicContact CD2-CG1 3.32Å; L122-V133 HydrophobicContact CG-CG1 3.39Å; A123-V133 HydrophobicContact CB-CG2 4.47Å; L126-V133 HydrophobicContact CD1-CG1 4.34Å; L126-V133 HydrophobicContact CD1-CG2 3.93Å; R128-V133 HydrophobicContact CB-CG2 3.79Å; L129-V133 PolarHBondContact O-N 3.21Å; E130-V133 PolarHBondContact O-N 3.35Å; V133-E136 PolarHBondContact O-N 3.22Å; V133-S137 WeakPolarHBondContact O-CB 3.49Å; V133-S137 PolarHBondContact O-N 3.39Å; V133-S137 PolarHBondContact O-OG 3.27Å |
| 134 | L | 89.7 | Confident | 90 | Very high | 47 Ų | 47 | 67.9 Ų | 67.9 | 25% | 0.246 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.9 | -46.5 | 176 | -166.7 | 157.8 | 0 | 0 | 0 | 110.4 | V119 E130 D131 E132 E136 S137 L138 | V119-L134 HydrophobicContact CG2-CD1 4.44Å; E130-L134 WeakPolarHBondContact O-CB 3.44Å; E130-L134 PolarHBondContact O-N 3.27Å; D131-L134 PolarHBondContact O-N 3.4Å; E132-L134 VanDerWaalsContact C-N 3.33Å; L134-E136 PolarHBondContact O-N 3.49Å; L134-S137 PolarHBondContact O-N 2.92Å; L134-L138 HydrophobicContact CD2-CD1 3.49Å; L134-L138 VanDerWaalsContact CD2-CD1 3.49Å; L134-L138 HydrophobicContact CD2-CG 3.96Å; L134-L138 WeakPolarHBondContact O-CG 3.5Å; L134-L138 PolarHBondContact O-N 3.18Å |
| 135 | Q | 91 | Very high | 89.4 | Confident | 108 Ų | 108 | 67.1 Ų | 67.1 | 51% | 0.505 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62 | -42.7 | 177.1 | -67.4 | -61.2 | -41.3 | 0 | 0 | 112.7 | D131 E132 L138 K139 | D131-Q135 VanDerWaalsContact O-CG 3.32Å; D131-Q135 WeakPolarHBondContact O-CG 3.37Å; D131-Q135 PolarHBondContact O-N 2.96Å; E132-Q135 PolarHBondContact O-N 2.91Å; Q135-L138 PolarHBondContact O-N 2.8Å; Q135-K139 VanDerWaalsContact O-CG 3.31Å; Q135-K139 WeakPolarHBondContact O-CG 3.4Å; Q135-K139 PolarHBondContact O-N 2.89Å; Q135-K139 VanDerWaalsContact O-N 3.09Å |
| 136 | E | 90.6 | Very high | 88.5 | Confident | 55 Ų | 55 | 72 Ų | 72 | 26% | 0.257 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.2 | -41 | 174.8 | -102 | 175.7 | 165.5 | 0 | 0 | 112.3 | F107 R128 E132 V133 L134 K139 R140 | F107-E136 HydrophobicContact CE1-CB 4.46Å; F107-E136 HydrophobicContact CE2-CB 4.35Å; F107-E136 WeakPolarHBondContact CE2-OE2 3.39Å; F107-E136 HydrophobicContact CZ-CB 3.76Å; R128-E136 IonicContact NH1-OE1 3.29Å; R128-E136 PolarHBondContact NH1-OE1 3.25Å; R128-E136 IonicContact NH1-OE2 2.68Å; R128-E136 PolarHBondContact NH1-OE2 3.26Å; E132-E136 PolarHBondContact O-N 3.33Å; V133-E136 PolarHBondContact O-N 3.22Å; L134-E136 PolarHBondContact O-N 3.49Å; E136-K139 PolarHBondContact O-N 2.92Å; E136-R140 PolarHBondContact O-N 3.15Å; E136-R140 VanDerWaalsContact O-N 3.16Å |
| 137 | S | 90.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 178.6 | -56.5 | 0 | 0 | 0 | 0 | 111.6 | V133 L134 K139 R140 G141 W142 | V133-S137 WeakPolarHBondContact O-CB 3.49Å; V133-S137 PolarHBondContact O-N 3.39Å; V133-S137 PolarHBondContact O-OG 3.27Å; L134-S137 PolarHBondContact O-N 2.92Å; S137-K139 VanDerWaalsContact C-N 3.34Å; S137-K139 PolarHBondContact O-N 3.25Å; S137-R140 WeakPolarHBondContact O-CB 3.5Å; S137-R140 PolarHBondContact O-N 2.95Å; S137-R140 VanDerWaalsContact O-N 3.16Å; S137-G141 PolarHBondContact O-N 3.47Å; S137-W142 VanDerWaalsContact O-CB 3.32Å; S137-W142 WeakPolarHBondContact O-CB 3.3Å; S137-W142 PolarHBondContact O-N 2.66Å; S137-W142 VanDerWaalsContact O-N 3.11Å |
| 138 | L | 88.7 | Confident | 87.2 | Confident | 80 Ų | 80 | 78.8 Ų | 78.8 | 42% | 0.419 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.7 | -38.7 | 175.8 | -69.8 | 179.2 | 0 | 0 | 0 | 112.1 | L134 Q135 R140 G141 | L134-L138 HydrophobicContact CD2-CD1 3.49Å; L134-L138 VanDerWaalsContact CD2-CD1 3.49Å; L134-L138 HydrophobicContact CD2-CG 3.96Å; L134-L138 WeakPolarHBondContact O-CG 3.5Å; L134-L138 PolarHBondContact O-N 3.18Å; Q135-L138 PolarHBondContact O-N 2.8Å; L138-R140 PolarHBondContact O-N 3.01Å; L138-G141 PolarHBondContact O-N 3.03Å |
| 139 | K | 90.9 | Very high | 87.1 | Confident | 173 Ų | 173 | 79 Ų | 79 | 75% | 0.752 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -62.4 | -30.7 | 174.8 | -73.5 | 173.7 | -174.3 | 178.2 | 0 | 112.7 | Q135 E136 S137 G141 | Q135-K139 VanDerWaalsContact O-CG 3.31Å; Q135-K139 WeakPolarHBondContact O-CG 3.4Å; Q135-K139 PolarHBondContact O-N 2.89Å; Q135-K139 VanDerWaalsContact O-N 3.09Å; E136-K139 PolarHBondContact O-N 2.92Å; S137-K139 VanDerWaalsContact C-N 3.34Å; S137-K139 PolarHBondContact O-N 3.25Å; K139-G141 PolarHBondContact O-N 2.83Å |
| 140 | R | 87.4 | Confident | 87 | Confident | 76 Ų | 76 | 78.3 Ų | 78.3 | 29% | 0.287 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -2.2 | 173.9 | -70.5 | -179.6 | 133.8 | 93.2 | 7.5 | 113.6 | N104 F107 E111 E136 S137 L138 | N104-R140 PolarHBondContact OD1-NH2 3.21Å; F107-R140 VanDerWaalsContact CB-CZ 3.43Å; E111-R140 IonicContact OE1-NE 2.8Å; E136-R140 PolarHBondContact O-N 3.15Å; E136-R140 VanDerWaalsContact O-N 3.16Å; S137-R140 WeakPolarHBondContact O-CB 3.5Å; S137-R140 PolarHBondContact O-N 2.95Å; S137-R140 VanDerWaalsContact O-N 3.16Å; L138-R140 PolarHBondContact O-N 3.01Å |
| 141 | G | 88.3 | Confident | 86.9 | Confident | 43 Ų | 43 | 73.8 Ų | 73.8 | 44% | 0.443 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | 14.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S137 L138 K139 V154 | S137-G141 PolarHBondContact O-N 3.47Å; L138-G141 PolarHBondContact O-N 3.03Å; K139-G141 PolarHBondContact O-N 2.83Å; G141-V154 WeakPolarHBondContact O-CG2 3.38Å |
| 142 | W | 90.6 | Very high | 86.9 | Confident | 5 Ų | 5 | 71.7 Ų | 71.7 | 2% | 0.019 | 38% | 0.381 | C | S | . | . | trans | -70.1 | 147.4 | 175.5 | -62.4 | 15.4 | 0 | 0 | 0 | 110.4 | F107 V110 E111 I117 L122 S137 L151 K152 P153 | F107-W142 AromaticContact CD1-CH2 3.76Å; F107-W142 HydrophobicContact CD1-CH2 3.76Å; F107-W142 AromaticContact CD1-CZ2 3.69Å; F107-W142 HydrophobicContact CD1-CZ2 3.69Å; F107-W142 HydrophobicContact CE1-CH2 4.28Å; F107-W142 HydrophobicContact CE1-CZ2 4.46Å; V110-W142 HydrophobicContact CB-CH2 4.03Å; V110-W142 HydrophobicContact CG1-CH2 3.5Å; V110-W142 VanDerWaalsContact CG1-CH2 3.5Å; V110-W142 HydrophobicContact CG1-CZ2 4.37Å; V110-W142 HydrophobicContact CG1-CZ3 4.05Å; E111-W142 HydrophobicContact CG-CZ2 3.51Å; E111-W142 PolarHBondContact OE1-NE1 2.83Å; I117-W142 HydrophobicContact CG2-CZ3 4.1Å; L122-W142 HydrophobicContact CD2-CH2 4.03Å; L122-W142 HydrophobicContact CD2-CZ3 3.63Å; S137-W142 VanDerWaalsContact O-CB 3.32Å; S137-W142 WeakPolarHBondContact O-CB 3.3Å; S137-W142 PolarHBondContact O-N 2.66Å; S137-W142 VanDerWaalsContact O-N 3.11Å; W142-L151 HydrophobicContact CE3-CB 4.01Å; W142-L151 HydrophobicContact CE3-CD1 4.18Å; W142-K152 WeakPolarHBondContact CB-O 3.33Å; W142-P153 HydrophobicContact CD2-CB 3.95Å; W142-P153 HydrophobicContact CD2-CG 4.3Å; W142-P153 HydrophobicContact CE3-CB 4.21Å; W142-P153 HydrophobicContact CE3-CG 4.03Å; W142-P153 HydrophobicContact CH2-CB 4.26Å; W142-P153 HydrophobicContact CH2-CG 4.11Å; W142-P153 HydrophobicContact CZ2-CB 4Å; W142-P153 HydrophobicContact CZ2-CG 4.36Å; W142-P153 HydrophobicContact CZ3-CB 4.34Å; W142-P153 HydrophobicContact CZ3-CG 3.92Å | ||
| 143 | T | 87.7 | Confident | 86.8 | Confident | 84 Ų | 84 | 67.3 Ų | 67.3 | 52% | 0.515 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 137.8 | 179.9 | 57.4 | 0 | 0 | 0 | 0 | 110.9 | K152 | T143-K152 PolarHBondContact N-O 3.42Å; T143-K152 VanDerWaalsContact N-O 3.16Å; T143-K152 PolarHBondContact O-N 2.98Å |
| 144 | A | 83.8 | Confident | 86.6 | Confident | 58 Ų | 58 | 71 Ų | 71 | 48% | 0.479 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 140.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 145 | D | 80 | Confident | 86.2 | Confident | 51 Ų | 51 | 73.9 Ų | 73.9 | 27% | 0.273 | 40% | 0.396 | S | S | . | . | trans | -75.1 | -177.3 | 172 | -152.3 | -9 | 0 | 0 | 0 | 110.8 | D147 Y150 K152 | D145-D147 CarbonylContact O-C 3.6Å; D145-D147 PolarHBondContact O-N 3.08Å; D145-D147 VanDerWaalsContact O-N 3.12Å; D145-Y150 PolarHBondContact N-O 3.49Å; D145-K152 WeakPolarHBondContact OD1-CE 3.41Å; D145-K152 IonicContact OD1-NZ 2.72Å; D145-K152 PolarHBondContact OD1-NZ 3.42Å; D145-K152 WeakPolarHBondContact OD2-CE 3.4Å; D145-K152 IonicContact OD2-NZ 2.64Å; D145-K152 PolarHBondContact OD2-NZ 3.34Å | ||
| 146 | N | 74.3 | Confident | 85.3 | Confident | 160 Ų | 160 | 72 Ų | 72 | 86% | 0.856 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -53 | -31.5 | 173.5 | -69.4 | -29.2 | 0 | 0 | 0 | 112.7 | ||
| 147 | D | 79.2 | Confident | 84.2 | Confident | 102 Ų | 102 | 73.4 Ų | 73.4 | 55% | 0.545 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -98 | 125.6 | 169.8 | -71.7 | -38.3 | 0 | 0 | 0 | 109.9 | D145 S149 Y150 | D145-D147 CarbonylContact O-C 3.6Å; D145-D147 PolarHBondContact O-N 3.08Å; D145-D147 VanDerWaalsContact O-N 3.12Å; D147-S149 PolarHBondContact O-N 3.4Å; D147-Y150 HydrophobicContact CB-CD2 4Å; D147-Y150 PolarHBondContact O-N 3.06Å |
| 148 | P | 75.6 | Confident | 83.1 | Confident | 99 Ų | 99 | 79.6 Ų | 79.6 | 64% | 0.643 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -12.5 | -176.7 | 27 | -35 | 0 | 0 | 0 | 113.5 | Y150 | P148-Y150 VanDerWaalsContact C-N 3.3Š|
| 149 | S | 85.8 | Confident | 81.8 | Confident | 74 Ų | 74 | 81.8 Ų | 81.8 | 52% | 0.517 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -8.9 | 176.6 | -53.1 | 0 | 0 | 0 | 0 | 113.9 | S118 V119 D147 | S118-S149 CarbonylContact C-O 3.59Å; S118-S149 WeakPolarHBondContact CA-O 3.49Å; V119-S149 WeakPolarHBondContact CG2-O 3.21Å; V119-S149 PolarHBondContact N-O 3.08Å; D147-S149 PolarHBondContact O-N 3.4Å |
| 150 | Y | 89.5 | Confident | 80.4 | Confident | 106 Ų | 106 | 81.4 Ų | 81.4 | 42% | 0.416 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 138.6 | 179.6 | -68.8 | -86 | 0 | 0 | 0 | 111.6 | I117 D145 D147 P148 | I117-Y150 WeakPolarHBondContact O-CA 3.45Å; D145-Y150 PolarHBondContact N-O 3.49Å; D147-Y150 HydrophobicContact CB-CD2 4Å; D147-Y150 PolarHBondContact O-N 3.06Å; P148-Y150 VanDerWaalsContact C-N 3.3Å |
| 151 | L | 89.9 | Confident | 79.4 | Confident | 1 Ų | 1 | 82.7 Ų | 82.7 | 1% | 0.005 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 144 | 176.6 | -62.1 | 171.6 | 0 | 0 | 0 | 109.7 | C116 I117 V119 L122 W142 P153 | C116-L151 CarbonylContact C-O 3.59Å; C116-L151 VanDerWaalsContact CA-O 3.31Å; C116-L151 WeakPolarHBondContact CA-O 3.19Å; I117-L151 HydrophobicContact CG2-CB 4.34Å; I117-L151 PolarHBondContact N-O 2.94Å; I117-L151 PolarHBondContact O-N 2.85Å; V119-L151 HydrophobicContact CG2-CD1 3.91Å; V119-L151 HydrophobicContact CG2-CG 3.86Å; L122-L151 HydrophobicContact CD2-CD1 4.42Å; W142-L151 HydrophobicContact CE3-CB 4.01Å; W142-L151 HydrophobicContact CE3-CD1 4.18Å; L151-P153 WeakPolarHBondContact O-CD 3.43Å |
| 152 | K | 89.8 | Confident | 78.4 | Confident | 81 Ų | 81 | 86 Ų | 86 | 35% | 0.352 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 106.2 | 171.1 | -70.8 | 179 | 175.7 | 157 | 0 | 108.7 | W142 T143 D145 | W142-K152 WeakPolarHBondContact CB-O 3.33Å; T143-K152 PolarHBondContact N-O 3.42Å; T143-K152 VanDerWaalsContact N-O 3.16Å; T143-K152 PolarHBondContact O-N 2.98Å; D145-K152 WeakPolarHBondContact OD1-CE 3.41Å; D145-K152 IonicContact OD1-NZ 2.72Å; D145-K152 PolarHBondContact OD1-NZ 3.42Å; D145-K152 WeakPolarHBondContact OD2-CE 3.4Å; D145-K152 IonicContact OD2-NZ 2.64Å; D145-K152 PolarHBondContact OD2-NZ 3.34Å |
| 153 | P | 89.6 | Confident | 77.4 | Confident | 11 Ų | 11 | 90.5 Ų | 90.5 | 7% | 0.071 | 52% | 0.52 | C | S | . | . | trans | -62.5 | 147.2 | 174.8 | -20 | 32.7 | 0 | 0 | 0 | 111.6 | V110 E111 Y114 I117 W142 L151 Q155 | V110-P153 HydrophobicContact CG1-CG 4.04Å; E111-P153 HydrophobicContact CB-CB 4.31Å; E111-P153 HydrophobicContact CG-CB 3.92Å; Y114-P153 WeakPolarHBondContact O-CG 3.31Å; I117-P153 HydrophobicContact CG2-CG 4.32Å; W142-P153 HydrophobicContact CD2-CB 3.95Å; W142-P153 HydrophobicContact CD2-CG 4.3Å; W142-P153 HydrophobicContact CE3-CB 4.21Å; W142-P153 HydrophobicContact CE3-CG 4.03Å; W142-P153 HydrophobicContact CH2-CB 4.26Å; W142-P153 HydrophobicContact CH2-CG 4.11Å; W142-P153 HydrophobicContact CZ2-CB 4Å; W142-P153 HydrophobicContact CZ2-CG 4.36Å; W142-P153 HydrophobicContact CZ3-CB 4.34Å; W142-P153 HydrophobicContact CZ3-CG 3.92Å; L151-P153 WeakPolarHBondContact O-CD 3.43Å; P153-Q155 PolarHBondContact O-N 3.16Å | ||
| 154 | V | 85.8 | Confident | 76.6 | Confident | 77 Ų | 77 | 94 Ų | 94 | 47% | 0.467 | 53% | 0.528 | S | S | . | . | trans | -74.8 | 107.6 | 169.7 | -179.4 | 0 | 0 | 0 | 0 | 107.2 | G141 | G141-V154 WeakPolarHBondContact O-CG2 3.38Š| ||
| 155 | Q | 80.6 | Confident | 76.1 | Confident | 107 Ų | 107 | 98.9 Ų | 98.9 | 50% | 0.5 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 134.7 | 175.3 | -69.5 | -165.9 | -6.9 | 0 | 0 | 109.1 | P153 A157 | P153-Q155 PolarHBondContact O-N 3.16Å; Q155-A157 PolarHBondContact O-N 3.16Å; Q155-A157 VanDerWaalsContact O-N 3.12Å |
| 156 | P | 73 | Confident | 75.9 | Confident | 69 Ų | 69 | 100.9 Ų | 100.9 | 45% | 0.448 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -58.1 | 124.7 | 172.5 | 22.7 | -29.5 | 0 | 0 | 0 | 107.5 | K112 V158 | K112-P156 HydrophobicContact CG-CG 3.76Å; P156-V158 PolarHBondContact O-N 3.09Å |
| 157 | A | 67.2 | Low | 76.3 | Confident | 85 Ų | 85 | 98 Ų | 98 | 70% | 0.702 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -51.4 | 130.5 | 176 | 0 | 0 | 0 | 0 | 0 | 107.9 | Q155 V159 | Q155-A157 PolarHBondContact O-N 3.16Å; Q155-A157 VanDerWaalsContact O-N 3.12Å; A157-V159 PolarHBondContact O-N 3.31Å |
| 158 | V | 66.5 | Low | 76.5 | Confident | 130 Ų | 130 | 99.5 Ų | 99.5 | 79% | 0.788 | 54% | 0.538 | S | S | * | . | trans | -62 | 98.4 | 168.4 | -180 | 0 | 0 | 0 | 0 | 104.9 | P156 E160 | P156-V158 PolarHBondContact O-N 3.09Å; V158-E160 HydrophobicContact CG1-CG 4.27Å; V158-E160 PolarHBondContact O-N 3.46Å | ||
| 159 | V | 63.2 | Low | 77 | Confident | 125 Ų | 125 | 98.3 Ų | 98.3 | 76% | 0.758 | 53% | 0.529 | S | S | * | . | trans | -69.9 | 90.7 | 171.6 | -176.9 | 0 | 0 | 0 | 0 | 104.5 | A157 D161 | A157-V159 PolarHBondContact O-N 3.31Å; V159-D161 PolarHBondContact O-N 3.16Å; V159-D161 VanDerWaalsContact O-N 3.08Å | ||
| 160 | E | 61.5 | Low | 77.1 | Confident | 165 Ų | 165 | 100.8 Ų | 100.8 | 77% | 0.771 | 53% | 0.53 | S | S | * | . | trans | -60.4 | 112.3 | 164.5 | -69.8 | -168.1 | 157.8 | 0 | 0 | 106.2 | V158 P162 | V158-E160 HydrophobicContact CG1-CG 4.27Å; V158-E160 PolarHBondContact O-N 3.46Å; E160-P162 WeakPolarHBondContact O-CD 3.49Å | ||
| 161 | D | 66.4 | Low | 77.2 | Confident | 104 Ų | 104 | 98.9 Ų | 98.9 | 56% | 0.556 | 53% | 0.53 | S | S | * | . | trans | -60.4 | 110.7 | -177.4 | -156.2 | -20.2 | 0 | 0 | 0 | 107.9 | V159 N163 K164 | V159-D161 PolarHBondContact O-N 3.16Å; V159-D161 VanDerWaalsContact O-N 3.08Å; D161-N163 PolarHBondContact O-N 3.11Å; D161-K164 HydrophobicContact CB-CB 4.23Å; D161-K164 VanDerWaalsContact O-CB 3.26Å; D161-K164 WeakPolarHBondContact O-CB 3.29Å; D161-K164 PolarHBondContact O-N 3.25Å | ||
| 162 | P | 65.5 | Low | 77.1 | Confident | 113 Ų | 113 | 103 Ų | 103 | 73% | 0.734 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -17 | -170.7 | 24.8 | -33.3 | 0 | 0 | 0 | 112.2 | E160 | E160-P162 WeakPolarHBondContact O-CD 3.49Š|
| 163 | N | 70.2 | Confident | 77.2 | Confident | 99 Ų | 99 | 103.3 Ų | 103.3 | 53% | 0.529 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.8 | 6.2 | 176.7 | -74 | -20.8 | 0 | 0 | 0 | 113.9 | D161 E165 D166 D167 | D161-N163 PolarHBondContact O-N 3.11Å; N163-E165 PolarHBondContact O-N 2.9Å; N163-D166 PolarHBondContact O-N 2.93Å; N163-D166 VanDerWaalsContact O-N 3.08Å; N163-D167 WeakPolarHBondContact O-CB 3.18Å; N163-D167 PolarHBondContact O-N 3.12Å |
| 164 | K | 72 | Confident | 77.3 | Confident | 157 Ų | 157 | 112.5 Ų | 112.5 | 68% | 0.683 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -58.7 | -37.3 | -175.7 | -152.4 | 176.7 | -173.3 | -179.7 | 0 | 112.5 | D161 F168 | D161-K164 HydrophobicContact CB-CB 4.23Å; D161-K164 VanDerWaalsContact O-CB 3.26Å; D161-K164 WeakPolarHBondContact O-CB 3.29Å; D161-K164 PolarHBondContact O-N 3.25Å; K164-F168 WeakPolarHBondContact O-CB 3.31Å; K164-F168 PolarHBondContact O-N 3.25Å; K164-F168 VanDerWaalsContact O-N 3.13Å |
| 165 | E | 72.4 | Confident | 77.6 | Confident | 161 Ų | 161 | 113.7 Ų | 113.7 | 75% | 0.752 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -69.7 | -44 | 175 | -68.4 | -170.1 | 161.9 | 0 | 0 | 111.8 | N163 D167 F168 V169 | N163-E165 PolarHBondContact O-N 2.9Å; E165-D167 VanDerWaalsContact C-N 3.34Å; E165-D167 PolarHBondContact O-N 2.93Å; E165-F168 WeakPolarHBondContact O-CB 3.49Å; E165-F168 PolarHBondContact O-N 2.84Å; E165-V169 VanDerWaalsContact O-CG2 3.3Å; E165-V169 WeakPolarHBondContact O-CG2 3.32Å; E165-V169 PolarHBondContact O-N 3.5Å |
| 166 | D | 76.5 | Confident | 78.1 | Confident | 92 Ų | 92 | 111.8 Ų | 111.8 | 49% | 0.492 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.3 | -39.7 | 179.1 | -107.6 | 24 | 0 | 0 | 0 | 112.2 | N163 V169 K170 | N163-D166 PolarHBondContact O-N 2.93Å; N163-D166 VanDerWaalsContact O-N 3.08Å; D166-V169 PolarHBondContact O-N 2.68Å; D166-K170 WeakPolarHBondContact O-CB 3.47Å; D166-K170 VanDerWaalsContact O-CG 3.29Å; D166-K170 WeakPolarHBondContact O-CG 3.5Å; D166-K170 PolarHBondContact O-N 2.8Å |
| 167 | D | 81.4 | Confident | 78.9 | Confident | 101 Ų | 101 | 114.3 Ų | 114.3 | 54% | 0.54 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -73.1 | -35 | 179.2 | -137.8 | 34.5 | 0 | 0 | 0 | 111.6 | N163 E165 T171 | N163-D167 WeakPolarHBondContact O-CB 3.18Å; N163-D167 PolarHBondContact O-N 3.12Å; E165-D167 VanDerWaalsContact C-N 3.34Å; E165-D167 PolarHBondContact O-N 2.93Å; D167-T171 VanDerWaalsContact O-CB 3.32Å; D167-T171 WeakPolarHBondContact O-CB 3.31Å; D167-T171 PolarHBondContact O-N 3.21Å; D167-T171 PolarHBondContact O-OG1 2.81Å |
| 168 | F | 84.7 | Confident | 80 | Confident | 133 Ų | 133 | 116.4 Ų | 116.4 | 58% | 0.583 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -62.2 | -46.6 | 170 | 179.1 | -100.1 | 0 | 0 | 0 | 111.5 | K164 E165 T171 M172 | K164-F168 WeakPolarHBondContact O-CB 3.31Å; K164-F168 PolarHBondContact O-N 3.25Å; K164-F168 VanDerWaalsContact O-N 3.13Å; E165-F168 WeakPolarHBondContact O-CB 3.49Å; E165-F168 PolarHBondContact O-N 2.84Å; F168-T171 PolarHBondContact O-N 3.46Å; F168-M172 HydrophobicContact CD1-CG 4.32Å; F168-M172 HydrophobicContact CE1-CG 3.84Å; F168-M172 HydrophobicContact CE2-CG 4.36Å; F168-M172 HydrophobicContact CZ-CG 3.86Å; F168-M172 HydrophobicContact CZ-SD 4.32Å; F168-M172 WeakPolarHBondContact O-CB 3.48Å; F168-M172 PolarHBondContact O-N 3.03Å |
| 169 | V | 86.1 | Confident | 81.1 | Confident | 74 Ų | 74 | 116.1 Ų | 116.1 | 45% | 0.448 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64 | -43.7 | 178.3 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | E165 D166 T171 M172 I173 | E165-V169 VanDerWaalsContact O-CG2 3.3Å; E165-V169 WeakPolarHBondContact O-CG2 3.32Å; E165-V169 PolarHBondContact O-N 3.5Å; D166-V169 PolarHBondContact O-N 2.68Å; V169-T171 VanDerWaalsContact C-N 3.3Å; V169-T171 PolarHBondContact O-N 3.24Å; V169-M172 WeakPolarHBondContact O-CB 3.3Å; V169-M172 PolarHBondContact O-N 3.47Å; V169-I173 HydrophobicContact CG1-CD1 3.82Å; V169-I173 HydrophobicContact CG1-CG1 4.42Å; V169-I173 VanDerWaalsContact O-CG1 3.29Å; V169-I173 WeakPolarHBondContact O-CG1 3.36Å; V169-I173 PolarHBondContact O-N 3.36Å |
| 170 | K | 88.2 | Confident | 82.2 | Confident | 125 Ų | 125 | 116.2 Ų | 116.2 | 54% | 0.543 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.4 | -41.1 | 174.8 | -75 | 171.2 | -169.2 | 166.8 | 0 | 111.8 | D166 I173 R174 | D166-K170 WeakPolarHBondContact O-CB 3.47Å; D166-K170 VanDerWaalsContact O-CG 3.29Å; D166-K170 WeakPolarHBondContact O-CG 3.5Å; D166-K170 PolarHBondContact O-N 2.8Å; K170-I173 PolarHBondContact O-N 2.93Å; K170-R174 WeakPolarHBondContact O-CB 3.38Å; K170-R174 PolarHBondContact O-N 2.79Å |
| 171 | T | 89.7 | Confident | 83 | Confident | 66 Ų | 66 | 115.2 Ų | 115.2 | 41% | 0.405 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.6 | -45.7 | 177.2 | -59.6 | 0 | 0 | 0 | 0 | 111 | D167 F168 V169 R174 Q175 | D167-T171 VanDerWaalsContact O-CB 3.32Å; D167-T171 WeakPolarHBondContact O-CB 3.31Å; D167-T171 PolarHBondContact O-N 3.21Å; D167-T171 PolarHBondContact O-OG1 2.81Å; F168-T171 PolarHBondContact O-N 3.46Å; V169-T171 VanDerWaalsContact C-N 3.3Å; V169-T171 PolarHBondContact O-N 3.24Å; T171-R174 PolarHBondContact O-N 3.49Å; T171-Q175 WeakPolarHBondContact O-CG 3.33Å; T171-Q175 PolarHBondContact O-N 3.48Å |
| 172 | M | 89.8 | Confident | 83.4 | Confident | 88 Ų | 88 | 113.4 Ų | 113.4 | 43% | 0.433 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -57.6 | -49.3 | 174.4 | -83.8 | -76.6 | -65.8 | 0 | 0 | 111.7 | F168 V169 R174 Q175 T176 | F168-M172 HydrophobicContact CD1-CG 4.32Å; F168-M172 HydrophobicContact CE1-CG 3.84Å; F168-M172 HydrophobicContact CE2-CG 4.36Å; F168-M172 HydrophobicContact CZ-CG 3.86Å; F168-M172 HydrophobicContact CZ-SD 4.32Å; F168-M172 WeakPolarHBondContact O-CB 3.48Å; F168-M172 PolarHBondContact O-N 3.03Å; V169-M172 WeakPolarHBondContact O-CB 3.3Å; V169-M172 PolarHBondContact O-N 3.47Å; M172-R174 VanDerWaalsContact C-N 3.29Å; M172-R174 PolarHBondContact O-N 2.95Å; M172-Q175 PolarHBondContact O-N 3.44Å; M172-Q175 VanDerWaalsContact O-N 3.16Å; M172-T176 PolarHBondContact O-N 3Å; M172-T176 PolarHBondContact O-OG1 2.68Å |
| 173 | I | 91.9 | Very high | 83.5 | Confident | 88 Ų | 88 | 113.8 Ų | 113.8 | 45% | 0.451 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -59.1 | -42.2 | 177.6 | -68.3 | 166.2 | 0 | 0 | 0 | 111 | V169 K170 Q175 T176 K177 | V169-I173 HydrophobicContact CG1-CD1 3.82Å; V169-I173 HydrophobicContact CG1-CG1 4.42Å; V169-I173 VanDerWaalsContact O-CG1 3.29Å; V169-I173 WeakPolarHBondContact O-CG1 3.36Å; V169-I173 PolarHBondContact O-N 3.36Å; K170-I173 PolarHBondContact O-N 2.93Å; I173-Q175 VanDerWaalsContact C-N 3.34Å; I173-T176 PolarHBondContact O-N 3.33Å; I173-K177 HydrophobicContact CG2-CD 4.29Å; I173-K177 WeakPolarHBondContact O-CB 3.32Å; I173-K177 WeakPolarHBondContact O-CG 3.11Å; I173-K177 PolarHBondContact O-N 2.8Å |
| 174 | R | 90.3 | Very high | 83 | Confident | 204 Ų | 204 | 113.1 Ų | 113.1 | 77% | 0.77 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.2 | -40.7 | 178.6 | -161 | 180 | -165.4 | 177.4 | 3.6 | 111.4 | K170 T171 M172 F178 | K170-R174 WeakPolarHBondContact O-CB 3.38Å; K170-R174 PolarHBondContact O-N 2.79Å; T171-R174 PolarHBondContact O-N 3.49Å; M172-R174 VanDerWaalsContact C-N 3.29Å; M172-R174 PolarHBondContact O-N 2.95Å; R174-F178 WeakPolarHBondContact O-CB 3.35Å; R174-F178 PolarHBondContact O-N 2.94Å; R174-F178 VanDerWaalsContact O-N 3.07Å |
| 175 | Q | 91.9 | Very high | 82 | Confident | 101 Ų | 101 | 116.6 Ų | 116.6 | 47% | 0.472 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67 | -44.7 | 175.6 | -71.6 | -179.2 | -0.2 | 0 | 0 | 111.8 | T171 M172 I173 K177 F178 F179 | T171-Q175 WeakPolarHBondContact O-CG 3.33Å; T171-Q175 PolarHBondContact O-N 3.48Å; M172-Q175 PolarHBondContact O-N 3.44Å; M172-Q175 VanDerWaalsContact O-N 3.16Å; I173-Q175 VanDerWaalsContact C-N 3.34Å; Q175-K177 PolarHBondContact O-N 2.85Å; Q175-F178 WeakPolarHBondContact O-CB 3.35Å; Q175-F178 PolarHBondContact O-N 2.97Å; Q175-F179 HydrophobicContact CB-CE2 4.47Å; Q175-F179 WeakPolarHBondContact O-CD2 3.32Å; Q175-F179 PolarHBondContact O-N 3.4Å |
| 176 | T | 92.1 | Very high | 82.4 | Confident | 67 Ų | 67 | 114.4 Ų | 114.4 | 41% | 0.411 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.6 | -46.7 | 177.5 | -50.8 | 0 | 0 | 0 | 0 | 111.4 | M172 I173 F178 F179 E180 | M172-T176 PolarHBondContact O-N 3Å; M172-T176 PolarHBondContact O-OG1 2.68Å; I173-T176 PolarHBondContact O-N 3.33Å; T176-F178 VanDerWaalsContact C-N 3.29Å; T176-F178 PolarHBondContact O-N 3.05Å; T176-F179 PolarHBondContact O-N 3.29Å; T176-F179 VanDerWaalsContact O-N 3.17Å; T176-E180 WeakPolarHBondContact O-CG 3.42Å; T176-E180 PolarHBondContact O-N 3.2Å |
| 177 | K | 89.7 | Confident | 82.7 | Confident | 123 Ų | 123 | 115.6 Ų | 115.6 | 54% | 0.535 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -59.1 | -39.6 | 175 | -75.1 | -177.1 | 178 | -175.5 | 0 | 112.5 | I173 Q175 E180 H181 | I173-K177 HydrophobicContact CG2-CD 4.29Å; I173-K177 WeakPolarHBondContact O-CB 3.32Å; I173-K177 WeakPolarHBondContact O-CG 3.11Å; I173-K177 PolarHBondContact O-N 2.8Å; Q175-K177 PolarHBondContact O-N 2.85Å; K177-E180 PolarHBondContact O-N 2.89Å; K177-H181 PolarHBondContact O-CD2 3.12Å; K177-H181 PolarHBondContact O-N 3.15Å |
| 178 | F | 90.9 | Very high | 82.8 | Confident | 129 Ų | 129 | 116.4 Ų | 116.4 | 57% | 0.566 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.1 | -45 | 176.5 | 176.5 | -94.8 | 0 | 0 | 0 | 111.7 | R174 Q175 T176 H181 T182 | R174-F178 WeakPolarHBondContact O-CB 3.35Å; R174-F178 PolarHBondContact O-N 2.94Å; R174-F178 VanDerWaalsContact O-N 3.07Å; Q175-F178 WeakPolarHBondContact O-CB 3.35Å; Q175-F178 PolarHBondContact O-N 2.97Å; T176-F178 VanDerWaalsContact C-N 3.29Å; T176-F178 PolarHBondContact O-N 3.05Å; F178-H181 PolarHBondContact O-N 3.46Å; F178-T182 HydrophobicContact CE1-CG2 4.42Å; F178-T182 HydrophobicContact CZ-CG2 4.19Å; F178-T182 PolarHBondContact O-N 3.04Å; F178-T182 PolarHBondContact O-OG1 2.99Å |
| 179 | F | 88.5 | Confident | 82.7 | Confident | 124 Ų | 124 | 115.4 Ų | 115.4 | 54% | 0.544 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.8 | -38.9 | 177.6 | -71.7 | -62 | 0 | 0 | 0 | 113.1 | Q175 T176 H181 T182 V183 | Q175-F179 HydrophobicContact CB-CE2 4.47Å; Q175-F179 WeakPolarHBondContact O-CD2 3.32Å; Q175-F179 PolarHBondContact O-N 3.4Å; T176-F179 PolarHBondContact O-N 3.29Å; T176-F179 VanDerWaalsContact O-N 3.17Å; F179-H181 VanDerWaalsContact C-N 3.29Å; F179-H181 PolarHBondContact O-N 3.04Å; F179-T182 WeakPolarHBondContact CA-OG1 3.49Å; F179-T182 PolarHBondContact O-N 3.47Å; F179-T182 PolarHBondContact O-OG1 3.26Å; F179-V183 WeakPolarHBondContact O-CB 3.35Å; F179-V183 VanDerWaalsContact O-CG2 3.31Å; F179-V183 WeakPolarHBondContact O-CG2 3.31Å; F179-V183 PolarHBondContact O-N 3.28Å |
| 180 | E | 86 | Confident | 82.5 | Confident | 127 Ų | 127 | 118 Ų | 118 | 59% | 0.593 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -59.9 | -40 | 176.1 | -74.9 | 176.3 | 168.4 | 0 | 0 | 112.1 | T176 K177 A184 | T176-E180 WeakPolarHBondContact O-CG 3.42Å; T176-E180 PolarHBondContact O-N 3.2Å; K177-E180 PolarHBondContact O-N 2.89Å; E180-A184 WeakPolarHBondContact O-CB 3.46Å; E180-A184 PolarHBondContact O-N 3.3Å |
| 181 | H | 79.8 | Confident | 82.1 | Confident | 143 Ų | 143 | 117.5 Ų | 117.5 | 66% | 0.662 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -74.3 | -29.5 | 178 | -79.4 | -66.7 | 0 | 0 | 0 | 114 | K177 F178 F179 | K177-H181 PolarHBondContact O-CD2 3.12Å; K177-H181 PolarHBondContact O-N 3.15Å; F178-H181 PolarHBondContact O-N 3.46Å; F179-H181 VanDerWaalsContact C-N 3.29Å; F179-H181 PolarHBondContact O-N 3.04Å |
| 182 | T | 75 | Confident | 81.6 | Confident | 67 Ų | 67 | 121.2 Ų | 121.2 | 41% | 0.411 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -86 | -21.8 | -179.6 | 32 | 0 | 0 | 0 | 0 | 114 | F178 F179 | F178-T182 HydrophobicContact CE1-CG2 4.42Å; F178-T182 HydrophobicContact CZ-CG2 4.19Å; F178-T182 PolarHBondContact O-N 3.04Å; F178-T182 PolarHBondContact O-OG1 2.99Å; F179-T182 WeakPolarHBondContact CA-OG1 3.49Å; F179-T182 PolarHBondContact O-N 3.47Å; F179-T182 PolarHBondContact O-OG1 3.26Å |
| 183 | V | 66 | Low | 80.9 | Confident | 120 Ų | 120 | 123.8 Ų | 123.8 | 73% | 0.727 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -87.6 | -14.3 | 175.6 | 176.2 | 0 | 0 | 0 | 0 | 112 | F179 | F179-V183 WeakPolarHBondContact O-CB 3.35Å; F179-V183 VanDerWaalsContact O-CG2 3.31Å; F179-V183 WeakPolarHBondContact O-CG2 3.31Å; F179-V183 PolarHBondContact O-N 3.28Å |
| 184 | A | 60.1 | Low | 80 | Confident | 86 Ų | 86 | 126.8 Ų | 126.8 | 71% | 0.711 | 62% | 0.623 | S | S | * | * | trans | -87.4 | -3.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | E180 | E180-A184 WeakPolarHBondContact O-CB 3.46Å; E180-A184 PolarHBondContact O-N 3.3Å | ||
| 185 | E | 50.2 | Low | 79.1 | Confident | 230 Ų | 230 | 119.7 Ų | 119.7 | 100% | 1.075 | 61% | 0.61 | S | S | * | * | trans | -100.2 | 0 | 169.2 | -69.3 | -174 | 162.4 | 0 | 0 | 111.1 |
Retrieved 185 of 185 residues in 81.8 ms
(Link to these results)