| 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 | P | 52.3 | Low | 49.1 | Very low | 146 Ų | 146 | 129.6 Ų | 129.6 | 95% | 0.948 | 67% | 0.665 | S | S | * | * | 0 | -49.5 | 0 | -11.4 | 29.7 | 0 | 0 | 0 | 114.3 | |||||
| 2 | I | 53.7 | Low | 49 | Very low | 163 Ų | 163 | 130.8 Ų | 130.8 | 84% | 0.836 | 67% | 0.668 | S | S | * | * | trans | -87 | -22.4 | -179.3 | -69.2 | 160.9 | 0 | 0 | 0 | 113.1 | ||||
| 3 | L | 45.2 | Very low | 49.1 | Very low | 147 Ų | 147 | 132.1 Ų | 132.1 | 77% | 0.77 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -97.9 | 7.8 | 176.7 | -71.5 | 169.2 | 0 | 0 | 0 | 114.2 | M5 | L3-M5 PolarHBondContact O-N 3.37Å; L3-M5 VanDerWaalsContact O-N 3.07Å |
| 4 | H | 42.7 | Very low | 50 | Low | 148 Ų | 148 | 123.4 Ų | 123.4 | 69% | 0.685 | 62% | 0.622 | S | S | * | * | trans | -80.1 | 91.1 | 176.2 | -77.7 | -66.3 | 0 | 0 | 0 | 110.5 | ||||
| 5 | M | 57.8 | Low | 51 | Low | 172 Ų | 172 | 121.7 Ų | 121.7 | 85% | 0.847 | 62% | 0.623 | S | S | * | * | trans | -95.5 | 15 | 171.7 | -69.8 | -76.4 | 177.5 | 0 | 0 | 112.9 | L3 | L3-M5 PolarHBondContact O-N 3.37Å; L3-M5 VanDerWaalsContact O-N 3.07Å | ||
| 6 | S | 45.3 | Very low | 52.2 | Low | 39 Ų | 39 | 118.2 Ų | 118.2 | 27% | 0.273 | 61% | 0.605 | S | S | . | * | trans | -108 | 127.6 | -178 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | Q8 R14 | S6-Q8 VanDerWaalsContact C-N 3.27Å; S6-Q8 PolarHBondContact O-N 3.26Å; S6-Q8 PolarHBondContact OG-N 3.27Å; S6-Q8 PolarHBondContact OG-O 2.88Å; S6-R14 PolarHBondContact OG-NH1 3.11Å | ||
| 7 | K | 53.6 | Low | 53.4 | Low | 198 Ų | 198 | 112 Ų | 112 | 86% | 0.861 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -74.7 | -5.2 | 176 | -107.6 | -172 | 180 | -177.5 | 0 | 114.6 | ||
| 8 | Q | 42.8 | Very low | 54.6 | Low | 59 Ų | 59 | 110.3 Ų | 110.3 | 28% | 0.276 | 56% | 0.564 | S | S | . | * | trans | -114.1 | 127.8 | 173.7 | -83.4 | 175.8 | -56.9 | 0 | 0 | 110.5 | S6 S10 W75 | S6-Q8 VanDerWaalsContact C-N 3.27Å; S6-Q8 PolarHBondContact O-N 3.26Å; S6-Q8 PolarHBondContact OG-N 3.27Å; S6-Q8 PolarHBondContact OG-O 2.88Å; Q8-S10 VanDerWaalsContact C-N 3.3Å; Q8-W75 HydrophobicContact CG-CH2 4.12Å; Q8-W75 HydrophobicContact CG-CZ3 3.97Å | ||
| 9 | Q | 50.8 | Low | 56 | Low | 209 Ų | 209 | 108 Ų | 108 | 98% | 0.977 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -79.1 | -11.2 | 178.9 | -167.9 | 169.8 | -11.3 | 0 | 0 | 112.9 | ||
| 10 | S | 44 | Very low | 57.3 | Low | 61 Ų | 61 | 103.6 Ų | 103.6 | 43% | 0.427 | 54% | 0.536 | S | S | . | . | trans | -114.8 | 122.5 | -175.4 | -176.3 | 0 | 0 | 0 | 0 | 111.8 | Q8 M12 | Q8-S10 VanDerWaalsContact C-N 3.3Å; S10-M12 PolarHBondContact O-N 3.47Å; S10-M12 VanDerWaalsContact O-N 3.16Å; S10-M12 WeakPolarHBondContact OG-CB 3.46Å; S10-M12 PolarHBondContact OG-N 2.91Å | ||
| 11 | M | 52.1 | Low | 58.5 | Low | 84 Ų | 84 | 104.9 Ų | 104.9 | 41% | 0.414 | 54% | 0.535 | S | S | . | . | G | 310 helix | trans | -67.2 | 1.8 | 168.7 | -96.8 | 176 | -179.6 | 0 | 0 | 113.3 | F13 Q18 Y21 M62 | M11-F13 VanDerWaalsContact C-N 3.35Å; M11-F13 PolarHBondContact O-N 3.27Å; M11-Q18 WeakPolarHBondContact O-CG 3.26Å; M11-Q18 PolarHBondContact O-NE2 3.21Å; M11-Y21 HydrophobicContact CE-CD2 4.38Å; M11-M62 HydrophobicContact CE-CE 4.42Å |
| 12 | M | 47.2 | Very low | 60 | Low | 143 Ų | 143 | 106.8 Ų | 106.8 | 70% | 0.704 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -74.2 | -19.8 | -170.9 | -160.4 | 172.1 | -176 | 0 | 0 | 114.3 | S10 | S10-M12 PolarHBondContact O-N 3.47Å; S10-M12 VanDerWaalsContact O-N 3.16Å; S10-M12 WeakPolarHBondContact OG-CB 3.46Å; S10-M12 PolarHBondContact OG-N 2.91Å |
| 13 | F | 50.1 | Low | 61.5 | Low | 148 Ų | 148 | 103.3 Ų | 103.3 | 65% | 0.649 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -109.8 | 18.3 | -177.2 | -69.8 | -75.4 | 0 | 0 | 0 | 114.5 | M11 | M11-F13 VanDerWaalsContact C-N 3.35Å; M11-F13 PolarHBondContact O-N 3.27Å |
| 14 | R | 62 | Low | 63.6 | Low | 10 Ų | 10 | 97.9 Ų | 97.9 | 4% | 0.038 | 48% | 0.478 | C | S | . | . | trans | -134.5 | 81.4 | -169.5 | -66.4 | -176.3 | 71.4 | 152.7 | 22.1 | 111.4 | S6 L16 S17 Q18 S66 E69 | S6-R14 PolarHBondContact OG-NH1 3.11Å; R14-L16 PolarHBondContact O-N 2.92Å; R14-S17 PolarHBondContact NE-OG 3.19Å; R14-S17 PolarHBondContact O-N 3Å; R14-Q18 PolarHBondContact O-N 3.36Å; R14-S66 PolarHBondContact NH2-O 3.24Å; R14-E69 WeakPolarHBondContact CA-OE1 3.47Å; R14-E69 VanDerWaalsContact CB-OE1 3.26Å; R14-E69 WeakPolarHBondContact CB-OE1 3.4Å; R14-E69 IonicContact CZ-OE2 3.16Å; R14-E69 IonicContact NE-OE2 2.67Å; R14-E69 PolarHBondContact NE-OE2 2.74Å; R14-E69 IonicContact NH2-OE2 2.84Å; R14-E69 PolarHBondContact NH2-OE2 2.99Å | ||
| 15 | P | 65.7 | Low | 65.8 | Low | 98 Ų | 98 | 92.1 Ų | 92.1 | 64% | 0.636 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -61.9 | -29.6 | -174.3 | 24.4 | -33 | 0 | 0 | 0 | 112.8 | S19 | P15-S19 PolarHBondContact O-N 3.38Å; P15-S19 VanDerWaalsContact O-N 3.14Å |
| 16 | L | 70.3 | Confident | 67.4 | Low | 66 Ų | 66 | 86.1 Ų | 86.1 | 35% | 0.346 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -74.2 | -41.7 | 177 | -62.5 | 166.8 | 0 | 0 | 0 | 110.7 | R14 Q18 S19 L20 I65 E69 M72 | R14-L16 PolarHBondContact O-N 2.92Å; L16-Q18 VanDerWaalsContact C-N 3.32Å; L16-Q18 PolarHBondContact O-N 3.49Å; L16-S19 PolarHBondContact O-N 3.33Å; L16-S19 PolarHBondContact O-OG 3.02Å; L16-L20 PolarHBondContact O-N 3.39Å; L16-L20 VanDerWaalsContact O-N 3.08Å; L16-I65 HydrophobicContact CB-CD1 4.35Å; L16-I65 HydrophobicContact CB-CG2 3.61Å; L16-E69 WeakPolarHBondContact CA-OE1 3.28Å; L16-E69 HydrophobicContact CB-CG 4.06Å; L16-E69 VanDerWaalsContact CB-OE1 3.28Å; L16-E69 WeakPolarHBondContact CB-OE1 3.41Å; L16-E69 HydrophobicContact CD1-CG 3.84Å; L16-E69 HydrophobicContact CG-CG 4.39Å; L16-E69 PolarHBondContact N-OE1 2.73Å; L16-M72 HydrophobicContact CD1-SD 4.33Å |
| 17 | S | 72 | Confident | 69.5 | Low | 13 Ų | 13 | 84.9 Ų | 84.9 | 9% | 0.091 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -63.9 | -34.9 | 174.7 | -69.7 | 0 | 0 | 0 | 0 | 113 | R14 L20 Y21 E69 | R14-S17 PolarHBondContact NE-OG 3.19Å; R14-S17 PolarHBondContact O-N 3Å; S17-L20 PolarHBondContact O-N 3.36Å; S17-Y21 PolarHBondContact O-N 2.97Å; S17-Y21 VanDerWaalsContact O-N 3.09Å; S17-E69 PolarHBondContact N-OE1 3.47Å; S17-E69 VanDerWaalsContact N-OE1 3.15Å; S17-E69 PolarHBondContact OG-OE2 3.25Å |
| 18 | Q | 75.1 | Confident | 71.2 | Confident | 81 Ų | 81 | 78.9 Ų | 78.9 | 38% | 0.379 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 173.3 | -74.8 | -178 | 3.8 | 0 | 0 | 112.1 | M11 R14 L16 L20 Y21 W22 | M11-Q18 WeakPolarHBondContact O-CG 3.26Å; M11-Q18 PolarHBondContact O-NE2 3.21Å; R14-Q18 PolarHBondContact O-N 3.36Å; L16-Q18 VanDerWaalsContact C-N 3.32Å; L16-Q18 PolarHBondContact O-N 3.49Å; Q18-L20 VanDerWaalsContact C-N 3.29Å; Q18-L20 PolarHBondContact O-N 3.16Å; Q18-Y21 WeakPolarHBondContact O-CB 3.34Å; Q18-Y21 PolarHBondContact O-N 2.91Å; Q18-W22 VanDerWaalsContact O-CD1 3.31Å; Q18-W22 PolarHBondContact O-N 3.02Å; Q18-W22 VanDerWaalsContact O-N 3.1Å |
| 19 | S | 81.3 | Confident | 73.5 | Confident | 67 Ų | 67 | 82.1 Ų | 82.1 | 47% | 0.469 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.3 | -39.2 | 177.8 | 75.9 | 0 | 0 | 0 | 0 | 112 | P15 L16 W22 L23 | P15-S19 PolarHBondContact O-N 3.38Å; P15-S19 VanDerWaalsContact O-N 3.14Å; L16-S19 PolarHBondContact O-N 3.33Å; L16-S19 PolarHBondContact O-OG 3.02Å; S19-W22 PolarHBondContact O-N 2.94Å; S19-L23 WeakPolarHBondContact O-CB 3.39Å; S19-L23 PolarHBondContact O-N 3.38Å |
| 20 | L | 82.5 | Confident | 75.3 | Confident | 19 Ų | 19 | 76.1 Ų | 76.1 | 10% | 0.099 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 174.6 | -105.1 | 174.4 | 0 | 0 | 0 | 113 | L16 S17 Q18 W22 L23 L24 T57 L61 I65 | L16-L20 PolarHBondContact O-N 3.39Å; L16-L20 VanDerWaalsContact O-N 3.08Å; S17-L20 PolarHBondContact O-N 3.36Å; Q18-L20 VanDerWaalsContact C-N 3.29Å; Q18-L20 PolarHBondContact O-N 3.16Å; L20-W22 VanDerWaalsContact C-N 3.35Å; L20-L23 PolarHBondContact O-N 3.35Å; L20-L24 PolarHBondContact O-N 3.09Å; L20-T57 HydrophobicContact CD2-CG2 3.61Å; L20-L61 HydrophobicContact CD1-CB 4.16Å; L20-L61 HydrophobicContact CD2-CB 3.71Å; L20-L61 HydrophobicContact CD2-CD2 3.77Å; L20-L61 HydrophobicContact CD2-CG 4.34Å; L20-I65 HydrophobicContact CD1-CB 3.52Å; L20-I65 HydrophobicContact CD1-CD1 3.42Å; L20-I65 VanDerWaalsContact CD1-CD1 3.42Å; L20-I65 HydrophobicContact CD1-CG1 3.49Å; L20-I65 VanDerWaalsContact CD1-CG1 3.49Å; L20-I65 HydrophobicContact CD1-CG2 3.91Å; L20-I65 HydrophobicContact CG-CD1 3.94Å; L20-I65 HydrophobicContact CG-CG1 4.49Å |
| 21 | Y | 81.7 | Confident | 77.4 | Confident | 131 Ų | 131 | 75.2 Ų | 75.2 | 51% | 0.514 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.2 | -44.4 | 176.5 | 176.4 | -98.1 | 0 | 0 | 0 | 111.4 | M11 S17 Q18 L23 L24 A25 | M11-Y21 HydrophobicContact CE-CD2 4.38Å; S17-Y21 PolarHBondContact O-N 2.97Å; S17-Y21 VanDerWaalsContact O-N 3.09Å; Q18-Y21 WeakPolarHBondContact O-CB 3.34Å; Q18-Y21 PolarHBondContact O-N 2.91Å; Y21-L23 VanDerWaalsContact C-N 3.34Å; Y21-L23 PolarHBondContact O-N 3.28Å; Y21-L24 PolarHBondContact O-N 3.44Å; Y21-A25 WeakPolarHBondContact O-CB 3.19Å; Y21-A25 PolarHBondContact O-N 3.1Å |
| 22 | W | 83.9 | Confident | 79.1 | Confident | 186 Ų | 186 | 76.3 Ų | 76.3 | 71% | 0.705 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -65.1 | -36.7 | 175.5 | -81.6 | 106.4 | 0 | 0 | 0 | 112.8 | Q18 S19 L20 A25 A26 | Q18-W22 VanDerWaalsContact O-CD1 3.31Å; Q18-W22 PolarHBondContact O-N 3.02Å; Q18-W22 VanDerWaalsContact O-N 3.1Å; S19-W22 PolarHBondContact O-N 2.94Å; L20-W22 VanDerWaalsContact C-N 3.35Å; W22-A25 PolarHBondContact O-N 3.07Å; W22-A26 WeakPolarHBondContact O-CB 3.37Å; W22-A26 PolarHBondContact O-N 2.7Å |
| 23 | L | 86.4 | Confident | 81.1 | Confident | 90 Ų | 90 | 78.1 Ų | 78.1 | 47% | 0.471 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 174 | -171.3 | 147.9 | 0 | 0 | 0 | 111.4 | S19 L20 Y21 A26 D27 T57 | S19-L23 WeakPolarHBondContact O-CB 3.39Å; S19-L23 PolarHBondContact O-N 3.38Å; L20-L23 PolarHBondContact O-N 3.35Å; Y21-L23 VanDerWaalsContact C-N 3.34Å; Y21-L23 PolarHBondContact O-N 3.28Å; L23-A26 PolarHBondContact O-N 3.37Å; L23-D27 WeakPolarHBondContact O-CB 3.4Å; L23-D27 PolarHBondContact O-N 3.32Å; L23-T57 HydrophobicContact CD2-CG2 4.06Å |
| 24 | L | 87.8 | Confident | 82.9 | Confident | 34 Ų | 34 | 72.3 Ų | 72.3 | 18% | 0.178 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.9 | -37.9 | 175.9 | -176.1 | 136.7 | 0 | 0 | 0 | 112.6 | L20 Y21 D27 L28 Y54 T57 I58 | L20-L24 PolarHBondContact O-N 3.09Å; Y21-L24 PolarHBondContact O-N 3.44Å; L24-D27 PolarHBondContact O-N 2.84Å; L24-L28 HydrophobicContact CD2-CD1 3.87Å; L24-L28 WeakPolarHBondContact O-CG 3.13Å; L24-L28 PolarHBondContact O-N 3.23Å; L24-Y54 HydrophobicContact CD1-CE2 4.4Å; L24-Y54 HydrophobicContact CG-CE2 4.4Å; L24-T57 HydrophobicContact CB-CG2 4.31Å; L24-T57 HydrophobicContact CD1-CG2 4.2Å; L24-I58 HydrophobicContact CD1-CD1 3.86Å; L24-I58 HydrophobicContact CD1-CG1 3.36Å |
| 25 | A | 89.1 | Confident | 84.1 | Confident | 27 Ų | 27 | 75.1 Ų | 75.1 | 22% | 0.223 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y21 W22 L28 L29 | Y21-A25 WeakPolarHBondContact O-CB 3.19Å; Y21-A25 PolarHBondContact O-N 3.1Å; W22-A25 PolarHBondContact O-N 3.07Å; A25-L28 PolarHBondContact O-N 3.3Å; A25-L29 WeakPolarHBondContact O-CG 3.28Å; A25-L29 PolarHBondContact O-N 3Å; A25-L29 VanDerWaalsContact O-N 3.1Å |
| 26 | A | 91 | Very high | 85 | Confident | 46 Ų | 46 | 73.6 Ų | 73.6 | 38% | 0.38 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.6 | -42 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | W22 L23 L28 L29 I30 | W22-A26 WeakPolarHBondContact O-CB 3.37Å; W22-A26 PolarHBondContact O-N 2.7Å; L23-A26 PolarHBondContact O-N 3.37Å; A26-L28 PolarHBondContact O-N 3.39Å; A26-L29 WeakPolarHBondContact O-CB 3.38Å; A26-L29 PolarHBondContact O-N 2.69Å; A26-I30 WeakPolarHBondContact O-CG1 3.38Å; A26-I30 PolarHBondContact O-N 2.94Å |
| 27 | D | 89.8 | Confident | 85.6 | Confident | 12 Ų | 12 | 73.9 Ų | 73.9 | 6% | 0.064 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.9 | -40.5 | 177.5 | -170.1 | 74.8 | 0 | 0 | 0 | 112.2 | L23 L24 L29 I30 L31 Y54 | L23-D27 WeakPolarHBondContact O-CB 3.4Å; L23-D27 PolarHBondContact O-N 3.32Å; L24-D27 PolarHBondContact O-N 2.84Å; D27-L29 PolarHBondContact O-N 2.95Å; D27-I30 PolarHBondContact O-N 2.62Å; D27-L31 PolarHBondContact O-N 3.27Å; D27-Y54 WeakPolarHBondContact OD2-CA 3.31Å; D27-Y54 WeakPolarHBondContact OD2-CB 3.27Å |
| 28 | L | 89.5 | Confident | 86 | Confident | 72 Ų | 72 | 77.4 Ų | 77.4 | 38% | 0.377 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.1 | -39.1 | 172.4 | -77.9 | 173.4 | 0 | 0 | 0 | 113 | L24 A25 A26 I30 L31 T32 Y54 | L24-L28 HydrophobicContact CD2-CD1 3.87Å; L24-L28 WeakPolarHBondContact O-CG 3.13Å; L24-L28 PolarHBondContact O-N 3.23Å; A25-L28 PolarHBondContact O-N 3.3Å; A26-L28 PolarHBondContact O-N 3.39Å; L28-I30 VanDerWaalsContact C-N 3.34Å; L28-L31 PolarHBondContact O-N 3.19Å; L28-T32 WeakPolarHBondContact O-CB 3.42Å; L28-T32 PolarHBondContact O-N 3.44Å; L28-T32 PolarHBondContact O-OG1 2.87Å; L28-Y54 HydrophobicContact CD1-CE2 4.44Å; L28-Y54 HydrophobicContact CD2-CD2 4.12Å; L28-Y54 HydrophobicContact CD2-CE2 3.52Å; L28-Y54 HydrophobicContact CG-CD2 4.41Å; L28-Y54 HydrophobicContact CG-CE2 3.91Å |
| 29 | L | 92.3 | Very high | 85.8 | Confident | 127 Ų | 127 | 82 Ų | 82 | 67% | 0.665 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -64.1 | -41.3 | 174.6 | -72.1 | 171.6 | 0 | 0 | 0 | 111.2 | A25 A26 D27 T32 W33 | A25-L29 WeakPolarHBondContact O-CG 3.28Å; A25-L29 PolarHBondContact O-N 3Å; A25-L29 VanDerWaalsContact O-N 3.1Å; A26-L29 WeakPolarHBondContact O-CB 3.38Å; A26-L29 PolarHBondContact O-N 2.69Å; D27-L29 PolarHBondContact O-N 2.95Å; L29-T32 PolarHBondContact O-N 3.43Å; L29-W33 WeakPolarHBondContact O-CB 3.19Å; L29-W33 PolarHBondContact O-N 3.28Å |
| 30 | I | 87.8 | Confident | 85.7 | Confident | 83 Ų | 83 | 81.3 Ų | 81.3 | 43% | 0.426 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.1 | -45.7 | 176.5 | -67.8 | 165.3 | 0 | 0 | 0 | 110.8 | A26 D27 L28 T32 W33 I34 A50 | A26-I30 WeakPolarHBondContact O-CG1 3.38Å; A26-I30 PolarHBondContact O-N 2.94Å; D27-I30 PolarHBondContact O-N 2.62Å; L28-I30 VanDerWaalsContact C-N 3.34Å; I30-T32 VanDerWaalsContact C-N 3.34Å; I30-T32 PolarHBondContact O-N 2.84Å; I30-W33 WeakPolarHBondContact O-CB 3.28Å; I30-W33 PolarHBondContact O-N 2.67Å; I30-I34 HydrophobicContact CG2-CD1 3.6Å; I30-I34 HydrophobicContact CG2-CG1 4.42Å; I30-I34 VanDerWaalsContact O-CG1 3.26Å; I30-I34 WeakPolarHBondContact O-CG1 3.28Å; I30-I34 PolarHBondContact O-N 3.15Å; I30-A50 HydrophobicContact CG2-CB 4.4Å |
| 31 | L | 87.4 | Confident | 85.5 | Confident | 43 Ų | 43 | 89.7 Ų | 89.7 | 23% | 0.225 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -61 | -42.4 | 176.2 | -81.5 | 160.1 | 0 | 0 | 0 | 112.1 | D27 L28 W33 I34 G35 A50 Y54 | D27-L31 PolarHBondContact O-N 3.27Å; L28-L31 PolarHBondContact O-N 3.19Å; L31-W33 VanDerWaalsContact C-N 3.35Å; L31-I34 PolarHBondContact O-N 3.48Å; L31-G35 PolarHBondContact O-N 2.89Å; L31-A50 HydrophobicContact CD2-CB 3.94Å; L31-A50 HydrophobicContact CG-CB 3.99Å; L31-Y54 HydrophobicContact CD1-CD2 4.22Å; L31-Y54 HydrophobicContact CD1-CG 4.26Å |
| 32 | T | 89.1 | Confident | 85.4 | Confident | 106 Ų | 106 | 86.3 Ų | 86.3 | 65% | 0.65 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.1 | -42 | 177 | -55 | 0 | 0 | 0 | 0 | 111.1 | L28 L29 I30 G35 | L28-T32 WeakPolarHBondContact O-CB 3.42Å; L28-T32 PolarHBondContact O-N 3.44Å; L28-T32 PolarHBondContact O-OG1 2.87Å; L29-T32 PolarHBondContact O-N 3.43Å; I30-T32 VanDerWaalsContact C-N 3.34Å; I30-T32 PolarHBondContact O-N 2.84Å; T32-G35 PolarHBondContact O-N 3.17Å |
| 33 | W | 87.9 | Confident | 85.4 | Confident | 181 Ų | 181 | 80.5 Ų | 80.5 | 69% | 0.686 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -62.2 | -46.4 | 175.9 | -176.6 | -77.8 | 0 | 0 | 0 | 111.9 | L29 I30 L31 G35 G36 | L29-W33 WeakPolarHBondContact O-CB 3.19Å; L29-W33 PolarHBondContact O-N 3.28Å; I30-W33 WeakPolarHBondContact O-CB 3.28Å; I30-W33 PolarHBondContact O-N 2.67Å; L31-W33 VanDerWaalsContact C-N 3.35Å; W33-G35 VanDerWaalsContact C-N 3.33Å; W33-G35 PolarHBondContact O-N 3.13Å; W33-G36 PolarHBondContact O-N 3.4Å |
| 34 | I | 89.1 | Confident | 85.3 | Confident | 26 Ų | 26 | 78.9 Ų | 78.9 | 13% | 0.133 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -67.4 | -34.5 | -179.1 | -67.2 | 165.2 | 0 | 0 | 0 | 111.3 | I30 L31 G36 Q37 I46 | I30-I34 HydrophobicContact CG2-CD1 3.6Å; I30-I34 HydrophobicContact CG2-CG1 4.42Å; I30-I34 VanDerWaalsContact O-CG1 3.26Å; I30-I34 WeakPolarHBondContact O-CG1 3.28Å; I30-I34 PolarHBondContact O-N 3.15Å; L31-I34 PolarHBondContact O-N 3.48Å; I34-G36 PolarHBondContact O-N 2.98Å; I34-Q37 PolarHBondContact O-N 2.68Å; I34-I46 HydrophobicContact CD1-CB 3.98Å; I34-I46 HydrophobicContact CD1-CG2 3.43Å; I34-I46 VanDerWaalsContact CD1-CG2 3.43Å; I34-I46 HydrophobicContact CG1-CG2 4.48Å |
| 35 | G | 85.5 | Confident | 85.4 | Confident | 70 Ų | 70 | 81.1 Ų | 81.1 | 72% | 0.722 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -60.8 | -23.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L31 T32 W33 | L31-G35 PolarHBondContact O-N 2.89Å; T32-G35 PolarHBondContact O-N 3.17Å; W33-G35 VanDerWaalsContact C-N 3.33Å; W33-G35 PolarHBondContact O-N 3.13Å |
| 36 | G | 84.9 | Confident | 85.3 | Confident | 65 Ų | 65 | 83.5 Ų | 83.5 | 67% | 0.67 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -8.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | W33 I34 | W33-G36 PolarHBondContact O-N 3.4Å; I34-G36 PolarHBondContact O-N 2.98Å |
| 37 | Q | 82.9 | Confident | 85.2 | Confident | 72 Ų | 72 | 82 Ų | 82 | 34% | 0.336 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -87 | 147.4 | 178.7 | -64.8 | -60.7 | -49.7 | 0 | 0 | 110.8 | I34 M39 F43 | I34-Q37 PolarHBondContact O-N 2.68Å; Q37-M39 PolarHBondContact O-N 3.29Å; Q37-F43 HydrophobicContact CB-CD1 4.41Å; Q37-F43 HydrophobicContact CB-CD2 4.43Å; Q37-F43 HydrophobicContact CB-CG 4.23Å; Q37-F43 HydrophobicContact CG-CD1 4.37Å; Q37-F43 HydrophobicContact CG-CE1 4.39Å |
| 38 | P | 80.4 | Confident | 85.1 | Confident | 87 Ų | 87 | 87.1 Ų | 87.1 | 57% | 0.565 | 48% | 0.476 | S | S | * | . | trans | -61.4 | 137.8 | 172.8 | 26.1 | -32.8 | 0 | 0 | 0 | 109.8 | S40 | P38-S40 PolarHBondContact O-N 3.18Å; P38-S40 PolarHBondContact O-OG 3.41Å | ||
| 39 | M | 71.8 | Confident | 85.2 | Confident | 178 Ų | 178 | 87.4 Ų | 87.4 | 88% | 0.877 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -68.7 | 67.4 | 178.8 | -66.8 | -113 | -167.9 | 0 | 0 | 111.3 | Q37 | Q37-M39 PolarHBondContact O-N 3.29Š|
| 40 | S | 77.9 | Confident | 85.1 | Confident | 52 Ų | 52 | 81.6 Ų | 81.6 | 36% | 0.364 | 45% | 0.451 | S | S | . | . | trans | -114 | 149.3 | 176.3 | 55.4 | 0 | 0 | 0 | 0 | 109.1 | P38 F43 | P38-S40 PolarHBondContact O-N 3.18Å; P38-S40 PolarHBondContact O-OG 3.41Å; S40-F43 PolarHBondContact O-N 3.26Å | ||
| 41 | Y | 78.6 | Confident | 85.2 | Confident | 195 Ų | 195 | 80 Ų | 80 | 77% | 0.765 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 126.2 | 167.8 | -175.5 | -90.2 | 0 | 0 | 0 | 108 | I45 | Y41-I45 HydrophobicContact CD2-CD1 4.14Å; Y41-I45 HydrophobicContact CE2-CD1 3.56Å |
| 42 | P | 80.1 | Confident | 85.5 | Confident | 60 Ų | 60 | 82.5 Ų | 82.5 | 39% | 0.39 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -104.4 | 0.8 | 18.6 | 38.2 | -35.3 | 0 | 0 | 0 | 116.3 | T44 I45 I46 | P42-T44 VanDerWaalsContact C-N 3.27Å; P42-T44 PolarHBondContact O-N 3.4Å; P42-I45 PolarHBondContact O-N 2.72Å; P42-I46 PolarHBondContact O-N 2.96Å |
| 43 | F | 84.1 | Confident | 85.5 | Confident | 64 Ų | 64 | 81.6 Ų | 81.6 | 28% | 0.281 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.1 | -28.9 | -171.3 | -61.6 | -69.4 | 0 | 0 | 0 | 113.7 | Q37 S40 I45 I46 G47 | Q37-F43 HydrophobicContact CB-CD1 4.41Å; Q37-F43 HydrophobicContact CB-CD2 4.43Å; Q37-F43 HydrophobicContact CB-CG 4.23Å; Q37-F43 HydrophobicContact CG-CD1 4.37Å; Q37-F43 HydrophobicContact CG-CE1 4.39Å; S40-F43 PolarHBondContact O-N 3.26Å; F43-I45 VanDerWaalsContact C-N 3.34Å; F43-I45 PolarHBondContact O-N 3.14Å; F43-I46 HydrophobicContact CD1-CD1 4.49Å; F43-I46 PolarHBondContact O-N 3.08Å; F43-G47 PolarHBondContact O-N 3.48Å |
| 44 | T | 84.4 | Confident | 85.6 | Confident | 57 Ų | 57 | 76.1 Ų | 76.1 | 35% | 0.35 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.2 | -41.5 | 175.4 | -51.2 | 0 | 0 | 0 | 0 | 112.5 | P42 G47 Q48 | P42-T44 VanDerWaalsContact C-N 3.27Å; P42-T44 PolarHBondContact O-N 3.4Å; T44-G47 PolarHBondContact O-N 3.43Å; T44-Q48 WeakPolarHBondContact O-CG 3.45Å; T44-Q48 PolarHBondContact O-N 2.93Å; T44-Q48 VanDerWaalsContact O-N 3.08Å |
| 45 | I | 88.8 | Confident | 85.6 | Confident | 81 Ų | 81 | 81 Ų | 81 | 42% | 0.415 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -70.2 | -41.9 | 180 | -65.1 | 175.9 | 0 | 0 | 0 | 110 | Y41 P42 F43 G47 Q48 V49 | Y41-I45 HydrophobicContact CD2-CD1 4.14Å; Y41-I45 HydrophobicContact CE2-CD1 3.56Å; P42-I45 PolarHBondContact O-N 2.72Å; F43-I45 VanDerWaalsContact C-N 3.34Å; F43-I45 PolarHBondContact O-N 3.14Å; I45-G47 VanDerWaalsContact C-N 3.31Å; I45-G47 PolarHBondContact O-N 3.48Å; I45-Q48 PolarHBondContact O-N 3.34Å; I45-V49 HydrophobicContact CG2-CG2 4.34Å; I45-V49 WeakPolarHBondContact O-CG2 3.23Å; I45-V49 PolarHBondContact O-N 3.23Å |
| 46 | I | 87.8 | Confident | 85.8 | Confident | 77 Ų | 77 | 80.1 Ų | 80.1 | 40% | 0.395 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 178.3 | -53.2 | 174.1 | 0 | 0 | 0 | 110 | I34 P42 F43 Q48 V49 A50 | I34-I46 HydrophobicContact CD1-CB 3.98Å; I34-I46 HydrophobicContact CD1-CG2 3.43Å; I34-I46 VanDerWaalsContact CD1-CG2 3.43Å; I34-I46 HydrophobicContact CG1-CG2 4.48Å; P42-I46 PolarHBondContact O-N 2.96Å; F43-I46 HydrophobicContact CD1-CD1 4.49Å; F43-I46 PolarHBondContact O-N 3.08Å; I46-Q48 PolarHBondContact O-N 2.93Å; I46-V49 PolarHBondContact O-N 3.47Å; I46-A50 VanDerWaalsContact O-CB 3.25Å; I46-A50 WeakPolarHBondContact O-CB 3.35Å; I46-A50 PolarHBondContact O-N 2.82Å |
| 47 | G | 88.6 | Confident | 85.8 | Confident | 13 Ų | 13 | 77.3 Ų | 77.3 | 13% | 0.134 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | F43 T44 I45 S51 | F43-G47 PolarHBondContact O-N 3.48Å; T44-G47 PolarHBondContact O-N 3.43Å; I45-G47 VanDerWaalsContact C-N 3.31Å; I45-G47 PolarHBondContact O-N 3.48Å; G47-S51 WeakPolarHBondContact O-CB 3.47Å; G47-S51 PolarHBondContact O-N 2.95Å; G47-S51 PolarHBondContact O-OG 3.34Å |
| 48 | Q | 88.2 | Confident | 85.9 | Confident | 121 Ų | 121 | 76.4 Ų | 76.4 | 57% | 0.565 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -65.7 | -47.7 | 174.9 | -74.7 | 176.7 | -0.4 | 0 | 0 | 111.7 | T44 I45 I46 S51 V52 | T44-Q48 WeakPolarHBondContact O-CG 3.45Å; T44-Q48 PolarHBondContact O-N 2.93Å; T44-Q48 VanDerWaalsContact O-N 3.08Å; I45-Q48 PolarHBondContact O-N 3.34Å; I46-Q48 PolarHBondContact O-N 2.93Å; Q48-S51 PolarHBondContact O-N 3.44Å; Q48-V52 WeakPolarHBondContact O-CG2 3.21Å; Q48-V52 PolarHBondContact O-N 2.85Å |
| 49 | V | 91.8 | Very high | 86.1 | Confident | 78 Ų | 78 | 77.6 Ų | 77.6 | 47% | 0.473 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.4 | -44.4 | 178 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | I45 I46 S51 V52 L53 | I45-V49 HydrophobicContact CG2-CG2 4.34Å; I45-V49 WeakPolarHBondContact O-CG2 3.23Å; I45-V49 PolarHBondContact O-N 3.23Å; I46-V49 PolarHBondContact O-N 3.47Å; V49-S51 PolarHBondContact O-N 3.27Å; V49-V52 PolarHBondContact O-N 3.39Å; V49-L53 HydrophobicContact CG1-CD1 3.94Å; V49-L53 HydrophobicContact CG1-CG 4.41Å; V49-L53 WeakPolarHBondContact O-CB 3.39Å; V49-L53 WeakPolarHBondContact O-CG 3.45Å; V49-L53 PolarHBondContact O-N 2.95Å |
| 50 | A | 89.4 | Confident | 86.7 | Confident | 5 Ų | 5 | 73.7 Ų | 73.7 | 4% | 0.041 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I30 L31 I46 V52 L53 Y54 | I30-A50 HydrophobicContact CG2-CB 4.4Å; L31-A50 HydrophobicContact CD2-CB 3.94Å; L31-A50 HydrophobicContact CG-CB 3.99Å; I46-A50 VanDerWaalsContact O-CB 3.25Å; I46-A50 WeakPolarHBondContact O-CB 3.35Å; I46-A50 PolarHBondContact O-N 2.82Å; A50-V52 PolarHBondContact O-N 3.44Å; A50-L53 PolarHBondContact O-N 3.49Å; A50-Y54 WeakPolarHBondContact O-CB 3.25Å; A50-Y54 PolarHBondContact O-N 3.3Å |
| 51 | S | 89.7 | Confident | 86.9 | Confident | 50 Ų | 50 | 74 Ų | 74 | 35% | 0.35 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 176.1 | -59.2 | 0 | 0 | 0 | 0 | 112.3 | G47 Q48 V49 L53 Y54 F55 | G47-S51 WeakPolarHBondContact O-CB 3.47Å; G47-S51 PolarHBondContact O-N 2.95Å; G47-S51 PolarHBondContact O-OG 3.34Å; Q48-S51 PolarHBondContact O-N 3.44Å; V49-S51 PolarHBondContact O-N 3.27Å; S51-L53 VanDerWaalsContact C-N 3.35Å; S51-Y54 WeakPolarHBondContact O-CB 3.44Å; S51-Y54 PolarHBondContact O-N 2.94Å; S51-F55 VanDerWaalsContact O-CD2 3.31Å; S51-F55 WeakPolarHBondContact O-CD2 3.44Å; S51-F55 PolarHBondContact O-N 3.08Å |
| 52 | V | 93.5 | Very high | 87.1 | Confident | 94 Ų | 94 | 69.2 Ų | 69.2 | 57% | 0.57 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -64.6 | -41.9 | 175.5 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | Q48 V49 A50 T56 | Q48-V52 WeakPolarHBondContact O-CG2 3.21Å; Q48-V52 PolarHBondContact O-N 2.85Å; V49-V52 PolarHBondContact O-N 3.39Å; A50-V52 PolarHBondContact O-N 3.44Å; V52-T56 VanDerWaalsContact O-CB 3.23Å; V52-T56 WeakPolarHBondContact O-CB 3.36Å; V52-T56 PolarHBondContact O-N 3.31Å; V52-T56 PolarHBondContact O-OG1 3Å |
| 53 | L | 89.8 | Confident | 87 | Confident | 87 Ų | 87 | 69.7 Ų | 69.7 | 46% | 0.455 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 175.7 | -77 | 170.7 | 0 | 0 | 0 | 111.8 | V49 A50 S51 T56 T57 | V49-L53 HydrophobicContact CG1-CD1 3.94Å; V49-L53 HydrophobicContact CG1-CG 4.41Å; V49-L53 WeakPolarHBondContact O-CB 3.39Å; V49-L53 WeakPolarHBondContact O-CG 3.45Å; V49-L53 PolarHBondContact O-N 2.95Å; A50-L53 PolarHBondContact O-N 3.49Å; S51-L53 VanDerWaalsContact C-N 3.35Å; L53-T56 PolarHBondContact O-N 3.22Å; L53-T57 VanDerWaalsContact O-CB 3.25Å; L53-T57 WeakPolarHBondContact O-CB 3.26Å; L53-T57 PolarHBondContact O-N 3.09Å; L53-T57 PolarHBondContact O-OG1 3.42Å |
| 54 | Y | 89.4 | Confident | 87 | Confident | 67 Ų | 67 | 69.6 Ų | 69.6 | 26% | 0.263 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -54.9 | -55.7 | 176.1 | -176.4 | -103.1 | 0 | 0 | 0 | 112 | L24 D27 L28 L31 A50 S51 T56 T57 I58 | L24-Y54 HydrophobicContact CD1-CE2 4.4Å; L24-Y54 HydrophobicContact CG-CE2 4.4Å; D27-Y54 WeakPolarHBondContact OD2-CA 3.31Å; D27-Y54 WeakPolarHBondContact OD2-CB 3.27Å; L28-Y54 HydrophobicContact CD1-CE2 4.44Å; L28-Y54 HydrophobicContact CD2-CD2 4.12Å; L28-Y54 HydrophobicContact CD2-CE2 3.52Å; L28-Y54 HydrophobicContact CG-CD2 4.41Å; L28-Y54 HydrophobicContact CG-CE2 3.91Å; L31-Y54 HydrophobicContact CD1-CD2 4.22Å; L31-Y54 HydrophobicContact CD1-CG 4.26Å; A50-Y54 WeakPolarHBondContact O-CB 3.25Å; A50-Y54 PolarHBondContact O-N 3.3Å; S51-Y54 WeakPolarHBondContact O-CB 3.44Å; S51-Y54 PolarHBondContact O-N 2.94Å; Y54-T56 PolarHBondContact O-N 3.1Å; Y54-T57 PolarHBondContact O-N 3.39Å; Y54-I58 HydrophobicContact CD1-CD1 4.18Å; Y54-I58 HydrophobicContact CD2-CD1 4.41Å; Y54-I58 HydrophobicContact CE1-CD1 3.54Å; Y54-I58 HydrophobicContact CE2-CD1 3.79Å; Y54-I58 PolarHBondContact O-N 3.49Å; Y54-I58 VanDerWaalsContact O-N 3.13Å; Y54-I58 WeakPolarHBondContact OH-CD1 3.44Å |
| 55 | F | 88.9 | Confident | 86.9 | Confident | 129 Ų | 129 | 68.4 Ų | 68.4 | 57% | 0.566 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -65.1 | -41.4 | -179.2 | -82.4 | -72 | 0 | 0 | 0 | 112.3 | S51 T57 I58 L59 | S51-F55 VanDerWaalsContact O-CD2 3.31Å; S51-F55 WeakPolarHBondContact O-CD2 3.44Å; S51-F55 PolarHBondContact O-N 3.08Å; F55-T57 VanDerWaalsContact C-N 3.29Å; F55-T57 PolarHBondContact O-N 2.89Å; F55-I58 PolarHBondContact O-N 3.35Å; F55-L59 HydrophobicContact CD1-CD1 4.3Å; F55-L59 VanDerWaalsContact O-CB 3.28Å; F55-L59 WeakPolarHBondContact O-CB 3.45Å; F55-L59 PolarHBondContact O-N 3.25Å |
| 56 | T | 90.1 | Very high | 86.3 | Confident | 50 Ų | 50 | 65.7 Ų | 65.7 | 31% | 0.307 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.1 | -39.9 | 177.2 | -59.2 | 0 | 0 | 0 | 0 | 111.1 | V52 L53 Y54 I60 L61 | V52-T56 VanDerWaalsContact O-CB 3.23Å; V52-T56 WeakPolarHBondContact O-CB 3.36Å; V52-T56 PolarHBondContact O-N 3.31Å; V52-T56 PolarHBondContact O-OG1 3Å; L53-T56 PolarHBondContact O-N 3.22Å; Y54-T56 PolarHBondContact O-N 3.1Å; T56-I60 HydrophobicContact CG2-CB 4.47Å; T56-I60 HydrophobicContact CG2-CD1 4.31Å; T56-I60 WeakPolarHBondContact O-CA 3.37Å; T56-I60 WeakPolarHBondContact O-CB 3.44Å; T56-I60 PolarHBondContact O-N 3.43Å; T56-L61 HydrophobicContact CG2-CD1 4.11Å; T56-L61 PolarHBondContact O-N 3.16Å; T56-L61 VanDerWaalsContact O-N 3.11Å |
| 57 | T | 85.8 | Confident | 85.8 | Confident | 6 Ų | 6 | 67 Ų | 67 | 4% | 0.037 | 36% | 0.362 | C | S | . | . | I | π-helix | trans | -65 | -46.8 | -179.5 | -60.2 | 0 | 0 | 0 | 0 | 111.2 | L20 L23 L24 L53 Y54 F55 L61 M62 | L20-T57 HydrophobicContact CD2-CG2 3.61Å; L23-T57 HydrophobicContact CD2-CG2 4.06Å; L24-T57 HydrophobicContact CB-CG2 4.31Å; L24-T57 HydrophobicContact CD1-CG2 4.2Å; L53-T57 VanDerWaalsContact O-CB 3.25Å; L53-T57 WeakPolarHBondContact O-CB 3.26Å; L53-T57 PolarHBondContact O-N 3.09Å; L53-T57 PolarHBondContact O-OG1 3.42Å; Y54-T57 PolarHBondContact O-N 3.39Å; F55-T57 VanDerWaalsContact C-N 3.29Å; F55-T57 PolarHBondContact O-N 2.89Å; T57-L61 WeakPolarHBondContact O-CB 3.22Å; T57-L61 PolarHBondContact O-N 3.27Å; T57-M62 PolarHBondContact O-N 2.79Å |
| 58 | I | 84.1 | Confident | 85.4 | Confident | 53 Ų | 53 | 70.3 Ų | 70.3 | 27% | 0.272 | 38% | 0.376 | S | S | . | . | I | π-helix | trans | -71.3 | -49.4 | -180 | -64.8 | 177.8 | 0 | 0 | 0 | 111.8 | L24 Y54 F55 M62 | L24-I58 HydrophobicContact CD1-CD1 3.86Å; L24-I58 HydrophobicContact CD1-CG1 3.36Å; Y54-I58 HydrophobicContact CD1-CD1 4.18Å; Y54-I58 HydrophobicContact CD2-CD1 4.41Å; Y54-I58 HydrophobicContact CE1-CD1 3.54Å; Y54-I58 HydrophobicContact CE2-CD1 3.79Å; Y54-I58 PolarHBondContact O-N 3.49Å; Y54-I58 VanDerWaalsContact O-N 3.13Å; Y54-I58 WeakPolarHBondContact OH-CD1 3.44Å; F55-I58 PolarHBondContact O-N 3.35Å; I58-M62 VanDerWaalsContact O-CB 3.27Å; I58-M62 WeakPolarHBondContact O-CB 3.25Å |
| 59 | L | 84.3 | Confident | 84.8 | Confident | 113 Ų | 113 | 64.9 Ų | 64.9 | 59% | 0.592 | 35% | 0.35 | S | S | * | . | I | π-helix | trans | -79.2 | -34.9 | -171.3 | -70.9 | 170 | 0 | 0 | 0 | 113.1 | F55 P63 | F55-L59 HydrophobicContact CD1-CD1 4.3Å; F55-L59 VanDerWaalsContact O-CB 3.28Å; F55-L59 WeakPolarHBondContact O-CB 3.45Å; F55-L59 PolarHBondContact O-N 3.25Å; L59-P63 WeakPolarHBondContact O-CD 3.49Å; L59-P63 WeakPolarHBondContact O-CG 3.45Å |
| 60 | I | 85.5 | Confident | 83.9 | Confident | 96 Ų | 96 | 63.5 Ų | 63.5 | 49% | 0.492 | 34% | 0.34 | S | S | . | . | I | π-helix | trans | -111.8 | -53 | -170.9 | -57.9 | 176.1 | 0 | 0 | 0 | 111.3 | T56 M62 P63 T64 | T56-I60 HydrophobicContact CG2-CB 4.47Å; T56-I60 HydrophobicContact CG2-CD1 4.31Å; T56-I60 WeakPolarHBondContact O-CA 3.37Å; T56-I60 WeakPolarHBondContact O-CB 3.44Å; T56-I60 PolarHBondContact O-N 3.43Å; I60-M62 PolarHBondContact O-N 2.95Å; I60-P63 VanDerWaalsContact O-CD 3.28Å; I60-P63 WeakPolarHBondContact O-CD 3.39Å; I60-P63 WeakPolarHBondContact O-CG 3.48Å; I60-T64 HydrophobicContact CG2-CG2 4.38Å; I60-T64 WeakPolarHBondContact O-CB 3.38Å; I60-T64 WeakPolarHBondContact O-CG2 3.21Å; I60-T64 PolarHBondContact O-N 3.46Å; I60-T64 PolarHBondContact O-OG1 2.89Å |
| 61 | L | 82.7 | Confident | 83.1 | Confident | 57 Ų | 57 | 70.6 Ų | 70.6 | 30% | 0.298 | 37% | 0.37 | S | S | . | . | I | π-helix | trans | -68.4 | -39.1 | -175.7 | -88.6 | 63.8 | 0 | 0 | 0 | 112.1 | L20 T56 T57 T64 I65 | L20-L61 HydrophobicContact CD1-CB 4.16Å; L20-L61 HydrophobicContact CD2-CB 3.71Å; L20-L61 HydrophobicContact CD2-CD2 3.77Å; L20-L61 HydrophobicContact CD2-CG 4.34Å; T56-L61 HydrophobicContact CG2-CD1 4.11Å; T56-L61 PolarHBondContact O-N 3.16Å; T56-L61 VanDerWaalsContact O-N 3.11Å; T57-L61 WeakPolarHBondContact O-CB 3.22Å; T57-L61 PolarHBondContact O-N 3.27Å; L61-T64 VanDerWaalsContact CA-OG1 3.26Å; L61-T64 WeakPolarHBondContact CA-OG1 3.45Å; L61-T64 PolarHBondContact O-N 3.17Å; L61-T64 PolarHBondContact O-OG1 2.69Å; L61-I65 WeakPolarHBondContact O-CB 3.26Å; L61-I65 PolarHBondContact O-N 2.92Å |
| 62 | M | 82.3 | Confident | 82.3 | Confident | 96 Ų | 96 | 74.7 Ų | 74.7 | 47% | 0.473 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.2 | -49.3 | -179 | -153.2 | 165.5 | -169.6 | 0 | 0 | 113.4 | M11 T57 I58 I60 S66 | M11-M62 HydrophobicContact CE-CE 4.42Å; T57-M62 PolarHBondContact O-N 2.79Å; I58-M62 VanDerWaalsContact O-CB 3.27Å; I58-M62 WeakPolarHBondContact O-CB 3.25Å; I60-M62 PolarHBondContact O-N 2.95Å; M62-S66 WeakPolarHBondContact O-CB 3.49Å; M62-S66 PolarHBondContact O-N 3.28Å; M62-S66 VanDerWaalsContact O-N 3.09Å; M62-S66 PolarHBondContact O-OG 3.24Å |
| 63 | P | 78.6 | Confident | 81.2 | Confident | 69 Ų | 69 | 74.6 Ų | 74.6 | 45% | 0.448 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -71.6 | -33.3 | 175.5 | 26.1 | -33.9 | 0 | 0 | 0 | 113.5 | L59 I60 S66 L67 | L59-P63 WeakPolarHBondContact O-CD 3.49Å; L59-P63 WeakPolarHBondContact O-CG 3.45Å; I60-P63 VanDerWaalsContact O-CD 3.28Å; I60-P63 WeakPolarHBondContact O-CD 3.39Å; I60-P63 WeakPolarHBondContact O-CG 3.48Å; P63-S66 WeakPolarHBondContact O-CB 3.33Å; P63-S66 PolarHBondContact O-N 3.46Å; P63-L67 PolarHBondContact O-N 2.92Å |
| 64 | T | 82.6 | Confident | 79.7 | Confident | 63 Ų | 63 | 79.6 Ų | 79.6 | 39% | 0.387 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -70 | -48 | -178.8 | 50.9 | 0 | 0 | 0 | 0 | 112.1 | I60 L61 S66 L67 I68 | I60-T64 HydrophobicContact CG2-CG2 4.38Å; I60-T64 WeakPolarHBondContact O-CB 3.38Å; I60-T64 WeakPolarHBondContact O-CG2 3.21Å; I60-T64 PolarHBondContact O-N 3.46Å; I60-T64 PolarHBondContact O-OG1 2.89Å; L61-T64 VanDerWaalsContact CA-OG1 3.26Å; L61-T64 WeakPolarHBondContact CA-OG1 3.45Å; L61-T64 PolarHBondContact O-N 3.17Å; L61-T64 PolarHBondContact O-OG1 2.69Å; T64-S66 PolarHBondContact O-N 2.97Å; T64-L67 PolarHBondContact O-N 3.1Å; T64-L67 VanDerWaalsContact O-N 3.16Å; T64-I68 VanDerWaalsContact O-CG1 3.28Å; T64-I68 WeakPolarHBondContact O-CG1 3.46Å; T64-I68 PolarHBondContact O-N 2.94Å |
| 65 | I | 82.5 | Confident | 78.1 | Confident | 31 Ų | 31 | 83.8 Ų | 83.8 | 16% | 0.159 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -63.7 | -33.6 | 172.3 | -65.1 | -145.1 | 0 | 0 | 0 | 110.3 | L16 L20 L61 L67 I68 E69 | L16-I65 HydrophobicContact CB-CD1 4.35Å; L16-I65 HydrophobicContact CB-CG2 3.61Å; L20-I65 HydrophobicContact CD1-CB 3.52Å; L20-I65 HydrophobicContact CD1-CD1 3.42Å; L20-I65 VanDerWaalsContact CD1-CD1 3.42Å; L20-I65 HydrophobicContact CD1-CG1 3.49Å; L20-I65 VanDerWaalsContact CD1-CG1 3.49Å; L20-I65 HydrophobicContact CD1-CG2 3.91Å; L20-I65 HydrophobicContact CG-CD1 3.94Å; L20-I65 HydrophobicContact CG-CG1 4.49Å; L61-I65 WeakPolarHBondContact O-CB 3.26Å; L61-I65 PolarHBondContact O-N 2.92Å; I65-L67 VanDerWaalsContact C-N 3.3Å; I65-L67 PolarHBondContact O-N 3.47Å; I65-I68 PolarHBondContact O-N 3.38Å; I65-E69 HydrophobicContact CG2-CG 4.41Å; I65-E69 PolarHBondContact O-N 2.88Å |
| 66 | S | 75.8 | Confident | 76 | Confident | 25 Ų | 25 | 85.9 Ų | 85.9 | 18% | 0.175 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -57.1 | -44.7 | 174 | -69.8 | 0 | 0 | 0 | 0 | 112.5 | R14 M62 P63 T64 N70 | R14-S66 PolarHBondContact NH2-O 3.24Å; M62-S66 WeakPolarHBondContact O-CB 3.49Å; M62-S66 PolarHBondContact O-N 3.28Å; M62-S66 VanDerWaalsContact O-N 3.09Å; M62-S66 PolarHBondContact O-OG 3.24Å; P63-S66 WeakPolarHBondContact O-CB 3.33Å; P63-S66 PolarHBondContact O-N 3.46Å; T64-S66 PolarHBondContact O-N 2.97Å; S66-N70 PolarHBondContact O-N 3.2Å; S66-N70 PolarHBondContact O-ND2 3.48Å; S66-N70 PolarHBondContact O-OD1 3.38Å |
| 67 | L | 78.3 | Confident | 75.3 | Confident | 103 Ų | 103 | 87.7 Ų | 87.7 | 54% | 0.539 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -71.6 | -41.1 | 178.5 | -172.6 | 73 | 0 | 0 | 0 | 112.8 | P63 T64 I65 N70 K71 | P63-L67 PolarHBondContact O-N 2.92Å; T64-L67 PolarHBondContact O-N 3.1Å; T64-L67 VanDerWaalsContact O-N 3.16Å; I65-L67 VanDerWaalsContact C-N 3.3Å; I65-L67 PolarHBondContact O-N 3.47Å; L67-N70 PolarHBondContact O-N 3.36Å; L67-K71 WeakPolarHBondContact O-CG 3.45Å; L67-K71 PolarHBondContact O-N 2.89Å |
| 68 | I | 80.8 | Confident | 74.7 | Confident | 84 Ų | 84 | 91.9 Ų | 91.9 | 43% | 0.431 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.8 | -48.5 | -179.3 | -69.8 | 163.9 | 0 | 0 | 0 | 110.4 | T64 I65 N70 K71 M72 | T64-I68 VanDerWaalsContact O-CG1 3.28Å; T64-I68 WeakPolarHBondContact O-CG1 3.46Å; T64-I68 PolarHBondContact O-N 2.94Å; I65-I68 PolarHBondContact O-N 3.38Å; I68-N70 PolarHBondContact O-N 2.93Å; I68-K71 PolarHBondContact O-N 3.47Å; I68-M72 HydrophobicContact CG2-CG 4.45Å; I68-M72 HydrophobicContact CG2-SD 4.09Å; I68-M72 WeakPolarHBondContact O-CG 3.41Å; I68-M72 PolarHBondContact O-N 3.44Å |
| 69 | E | 74.4 | Confident | 74.2 | Confident | 7 Ų | 7 | 94.1 Ų | 94.1 | 3% | 0.033 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -66.3 | -36.3 | 178.5 | -81.4 | 177.4 | 141.3 | 0 | 0 | 112 | R14 L16 S17 I65 K71 M72 L73 | R14-E69 WeakPolarHBondContact CA-OE1 3.47Å; R14-E69 VanDerWaalsContact CB-OE1 3.26Å; R14-E69 WeakPolarHBondContact CB-OE1 3.4Å; R14-E69 IonicContact CZ-OE2 3.16Å; R14-E69 IonicContact NE-OE2 2.67Å; R14-E69 PolarHBondContact NE-OE2 2.74Å; R14-E69 IonicContact NH2-OE2 2.84Å; R14-E69 PolarHBondContact NH2-OE2 2.99Å; L16-E69 WeakPolarHBondContact CA-OE1 3.28Å; L16-E69 HydrophobicContact CB-CG 4.06Å; L16-E69 VanDerWaalsContact CB-OE1 3.28Å; L16-E69 WeakPolarHBondContact CB-OE1 3.41Å; L16-E69 HydrophobicContact CD1-CG 3.84Å; L16-E69 HydrophobicContact CG-CG 4.39Å; L16-E69 PolarHBondContact N-OE1 2.73Å; S17-E69 PolarHBondContact N-OE1 3.47Å; S17-E69 VanDerWaalsContact N-OE1 3.15Å; S17-E69 PolarHBondContact OG-OE2 3.25Å; I65-E69 HydrophobicContact CG2-CG 4.41Å; I65-E69 PolarHBondContact O-N 2.88Å; E69-K71 VanDerWaalsContact C-N 3.32Å; E69-K71 PolarHBondContact O-N 3.41Å; E69-M72 PolarHBondContact O-N 3.04Å; E69-L73 WeakPolarHBondContact O-CB 3.45Å; E69-L73 WeakPolarHBondContact O-CG 3.39Å; E69-L73 PolarHBondContact O-N 3.27Å |
| 70 | N | 73.3 | Confident | 73.6 | Confident | 48 Ų | 48 | 93 Ų | 93 | 26% | 0.257 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.3 | -42.6 | 173.1 | -73.6 | -8.7 | 0 | 0 | 0 | 111.5 | S66 L67 I68 | S66-N70 PolarHBondContact O-N 3.2Å; S66-N70 PolarHBondContact O-ND2 3.48Å; S66-N70 PolarHBondContact O-OD1 3.38Å; L67-N70 PolarHBondContact O-N 3.36Å; I68-N70 PolarHBondContact O-N 2.93Å |
| 71 | K | 73.6 | Confident | 72.9 | Confident | 154 Ų | 154 | 92.8 Ų | 92.8 | 67% | 0.67 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.3 | -40.7 | 175.4 | -74.7 | 178.2 | 177.7 | -72 | 0 | 112.2 | L67 I68 E69 K74 | L67-K71 WeakPolarHBondContact O-CG 3.45Å; L67-K71 PolarHBondContact O-N 2.89Å; I68-K71 PolarHBondContact O-N 3.47Å; E69-K71 VanDerWaalsContact C-N 3.32Å; E69-K71 PolarHBondContact O-N 3.41Å; K71-K74 PolarHBondContact O-N 2.94Å |
| 72 | M | 71.1 | Confident | 72.2 | Confident | 136 Ų | 136 | 95.2 Ų | 95.2 | 67% | 0.67 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.8 | -38.1 | 178 | -75.2 | -178.7 | 66.5 | 0 | 0 | 112.6 | L16 I68 E69 K74 | L16-M72 HydrophobicContact CD1-SD 4.33Å; I68-M72 HydrophobicContact CG2-CG 4.45Å; I68-M72 HydrophobicContact CG2-SD 4.09Å; I68-M72 WeakPolarHBondContact O-CG 3.41Å; I68-M72 PolarHBondContact O-N 3.44Å; E69-M72 PolarHBondContact O-N 3.04Å; M72-K74 PolarHBondContact O-N 3.18Å |
| 73 | L | 71.1 | Confident | 71.5 | Confident | 93 Ų | 93 | 95.1 Ų | 95.1 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 6.7 | -179.8 | -68.7 | 170.5 | 0 | 0 | 0 | 113.6 | E69 W75 | E69-L73 WeakPolarHBondContact O-CB 3.45Å; E69-L73 WeakPolarHBondContact O-CG 3.39Å; E69-L73 PolarHBondContact O-N 3.27Å; L73-W75 PolarHBondContact O-N 3.47Å; L73-W75 VanDerWaalsContact O-N 3.1Å |
| 74 | K | 57.6 | Low | 71 | Confident | 191 Ų | 191 | 97.2 Ų | 97.2 | 83% | 0.83 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 35.9 | 178.3 | -71.9 | -173.6 | 177.3 | -179.8 | 0 | 113.9 | K71 M72 A76 | K71-K74 PolarHBondContact O-N 2.94Å; M72-K74 PolarHBondContact O-N 3.18Å; K74-A76 PolarHBondContact O-N 3.45Å |
| 75 | W | 56.7 | Low | 70 | Confident | 155 Ų | 155 | 100 Ų | 100 | 59% | 0.587 | 52% | 0.522 | S | S | * | . | trans | -84 | 96.5 | 158 | -80.7 | 0 | 0 | 0 | 0 | 107.1 | Q8 L73 | Q8-W75 HydrophobicContact CG-CH2 4.12Å; Q8-W75 HydrophobicContact CG-CZ3 3.97Å; L73-W75 PolarHBondContact O-N 3.47Å; L73-W75 VanDerWaalsContact O-N 3.1Å | ||
| 76 | A | 44.6 | Very low | 68.9 | Low | 173 Ų | 173 | 106.3 Ų | 106.3 | 100% | 1.43 | 56% | 0.555 | S | S | * | * | trans | -62.1 | 0 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | K74 | K74-A76 PolarHBondContact O-N 3.45Š|
Retrieved 76 of 76 residues in 17.1 ms
(Link to these results)