| 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 | 39.9 | Very low | 53.8 | Low | 224 Ų | 224 | 113.3 Ų | 113.3 | 100% | 1.103 | 64% | 0.641 | S | S | * | * | 0 | 92.4 | 0 | -176.2 | 176.4 | -78.5 | 0 | 0 | 107.1 | L3 | M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 3.3Å | |||
| 2 | A | 48.5 | Very low | 55.1 | Low | 100 Ų | 100 | 108.5 Ų | 108.5 | 83% | 0.826 | 62% | 0.618 | S | S | * | * | trans | -67.8 | 97.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | P4 | A2-P4 VanDerWaalsContact O-N 3.13Š| ||
| 3 | L | 50.7 | Low | 56.8 | Low | 95 Ų | 95 | 114.5 Ų | 114.5 | 50% | 0.497 | 63% | 0.633 | S | S | . | * | trans | -54 | 125.2 | 168.5 | -128.1 | 70.4 | 0 | 0 | 0 | 105.4 | M1 R5 I6 W92 | M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 3.3Å; L3-R5 PolarHBondContact O-N 3.28Å; L3-I6 HydrophobicContact CD2-CD1 4.49Å; L3-W92 HydrophobicContact CB-CZ3 4.28Å; L3-W92 HydrophobicContact CD2-CH2 3.97Å; L3-W92 HydrophobicContact CD2-CZ3 4.2Å | ||
| 4 | P | 48.1 | Very low | 58.3 | Low | 101 Ų | 101 | 109.7 Ų | 109.7 | 66% | 0.656 | 61% | 0.611 | S | S | * | * | trans | -49.8 | 145.5 | -175.8 | 20.8 | -33.4 | 0 | 0 | 0 | 108.4 | A2 I6 | A2-P4 VanDerWaalsContact O-N 3.13Å; P4-I6 PolarHBondContact O-N 3.2Å | ||
| 5 | R | 51 | Low | 59.8 | Low | 203 Ų | 203 | 102.6 Ų | 102.6 | 77% | 0.766 | 57% | 0.571 | S | S | * | * | trans | -51.3 | 78.4 | 174.5 | -60.4 | -104.8 | -127.5 | 111.5 | 1.7 | 109.2 | L3 C7 | L3-R5 PolarHBondContact O-N 3.28Å; R5-C7 VanDerWaalsContact C-N 3.25Å; R5-C7 PolarHBondContact O-N 3.37Å | ||
| 6 | I | 53.4 | Low | 61.1 | Low | 135 Ų | 135 | 102.6 Ų | 102.6 | 69% | 0.692 | 57% | 0.569 | S | S | * | * | trans | -61.1 | 105.3 | 166.1 | -65.2 | 160.3 | 0 | 0 | 0 | 101.1 | L3 P4 | L3-I6 HydrophobicContact CD2-CD1 4.49Å; P4-I6 PolarHBondContact O-N 3.2Å | ||
| 7 | C | 50.1 | Low | 62.6 | Low | 95 Ų | 95 | 100.2 Ų | 100.2 | 64% | 0.642 | 56% | 0.56 | S | S | * | * | trans | -28.9 | 121 | -160.9 | -59.1 | 0 | 0 | 0 | 0 | 111 | R5 I9 | R5-C7 VanDerWaalsContact C-N 3.25Å; R5-C7 PolarHBondContact O-N 3.37Å; C7-I9 VanDerWaalsContact O-CG1 3.3Å; C7-I9 WeakPolarHBondContact O-CG1 3.38Å; C7-I9 PolarHBondContact O-N 3.07Å | ||
| 8 | P | 55.4 | Low | 63.8 | Low | 77 Ų | 77 | 98.2 Ų | 98.2 | 50% | 0.5 | 55% | 0.553 | S | S | . | * | trans | -59.9 | 93.9 | 168.2 | 25.7 | -31.4 | 0 | 0 | 0 | 106.1 | C10 | P8-C10 PolarHBondContact O-N 3.15Å; P8-C10 VanDerWaalsContact O-N 3.14Å | ||
| 9 | I | 60.4 | Low | 65 | Low | 135 Ų | 135 | 95.4 Ų | 95.4 | 69% | 0.692 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -58.2 | -34.9 | -170.9 | -59.3 | -177.1 | 0 | 0 | 0 | 108 | C7 | C7-I9 VanDerWaalsContact O-CG1 3.3Å; C7-I9 WeakPolarHBondContact O-CG1 3.38Å; C7-I9 PolarHBondContact O-N 3.07Å |
| 10 | C | 63.8 | Low | 66.2 | Low | 44 Ų | 44 | 95.3 Ų | 95.3 | 30% | 0.297 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -131.8 | 147.4 | 164.3 | -118.4 | 0 | 0 | 0 | 0 | 112.1 | P8 C14 | P8-C10 PolarHBondContact O-N 3.15Å; P8-C10 VanDerWaalsContact O-N 3.14Å; C10-C14 HydrophobicContact CB-CB 3.54Å; C10-C14 WeakPolarHBondContact CB-SG 3.16Å; C10-C14 WeakPolarHBondContact SG-CB 3.24Å; C10-C14 CovalentContact SG-SG 2.01Å; C10-C14 PolarHBondContact SG-SG 2.94Å |
| 11 | G | 70 | Confident | 67.3 | Low | 37 Ų | 37 | 97.3 Ų | 97.3 | 38% | 0.381 | 54% | 0.541 | S | S | . | . | trans | -67.3 | 172 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | K13 C14 S15 | G11-K13 VanDerWaalsContact C-N 3.28Å; G11-K13 PolarHBondContact O-N 3.26Å; G11-K13 VanDerWaalsContact O-N 3.11Å; G11-C14 PolarHBondContact O-N 3.25Å; G11-C14 VanDerWaalsContact O-N 3.07Å; G11-S15 PolarHBondContact O-N 3.11Å | ||
| 12 | P | 69.8 | Low | 69.8 | Low | 56 Ų | 56 | 87 Ų | 87 | 36% | 0.364 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -47.8 | -46.8 | -173.3 | 0.1 | -14.2 | 0 | 0 | 0 | 114.2 | L16 N93 | P12-L16 PolarHBondContact O-N 2.98Å; P12-N93 WeakPolarHBondContact CB-ND2 2.91Å |
| 13 | K | 77.6 | Confident | 71.9 | Confident | 186 Ų | 186 | 84 Ų | 84 | 81% | 0.809 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -70.4 | -37.9 | -174.2 | -59.3 | -170.4 | 176.5 | 82.5 | 0 | 112.1 | G11 C17 | G11-K13 VanDerWaalsContact C-N 3.28Å; G11-K13 PolarHBondContact O-N 3.26Å; G11-K13 VanDerWaalsContact O-N 3.11Å; K13-C17 PolarHBondContact O-N 3.43Å |
| 14 | C | 77.3 | Confident | 74 | Confident | 48 Ų | 48 | 87.8 Ų | 87.8 | 32% | 0.324 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -74 | -40 | 178.1 | 170.7 | 0 | 0 | 0 | 0 | 111.5 | C10 G11 L16 C17 C18 | C10-C14 HydrophobicContact CB-CB 3.54Å; C10-C14 WeakPolarHBondContact CB-SG 3.16Å; C10-C14 WeakPolarHBondContact SG-CB 3.24Å; C10-C14 CovalentContact SG-SG 2.01Å; C10-C14 PolarHBondContact SG-SG 2.94Å; G11-C14 PolarHBondContact O-N 3.25Å; G11-C14 VanDerWaalsContact O-N 3.07Å; C14-L16 VanDerWaalsContact C-N 3.3Å; C14-L16 PolarHBondContact O-N 2.87Å; C14-C17 WeakPolarHBondContact O-CB 3.33Å; C14-C17 PolarHBondContact O-N 2.85Å; C14-C17 VanDerWaalsContact O-N 3.09Å; C14-C18 PolarHBondContact O-N 2.97Å; C14-C18 PolarHBondContact O-SG 3.22Å; C14-C18 VanDerWaalsContact O-SG 3.33Å |
| 15 | S | 80.4 | Confident | 76.3 | Confident | 3 Ų | 3 | 83.5 Ų | 83.5 | 2% | 0.021 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -56.9 | -43.4 | 176.4 | -171.6 | 0 | 0 | 0 | 0 | 112 | G11 C18 M19 T90 | G11-S15 PolarHBondContact O-N 3.11Å; S15-C18 PolarHBondContact O-N 3.09Å; S15-M19 PolarHBondContact O-N 3.13Å; S15-T90 PolarHBondContact OG-OG1 3.45Å |
| 16 | L | 81.1 | Confident | 78.4 | Confident | 103 Ų | 103 | 74.7 Ų | 74.7 | 54% | 0.539 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 175.6 | -175.7 | 64.1 | 0 | 0 | 0 | 112.2 | P12 C14 M19 V20 | P12-L16 PolarHBondContact O-N 2.98Å; C14-L16 VanDerWaalsContact C-N 3.3Å; C14-L16 PolarHBondContact O-N 2.87Å; L16-M19 WeakPolarHBondContact O-CB 3.5Å; L16-M19 PolarHBondContact O-N 3.14Å; L16-V20 WeakPolarHBondContact O-CG2 3.07Å; L16-V20 PolarHBondContact O-N 2.59Å; L16-V20 VanDerWaalsContact O-N 3.13Å |
| 17 | C | 86 | Confident | 80.5 | Confident | 61 Ų | 61 | 72.9 Ų | 72.9 | 41% | 0.412 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -58.9 | -47.4 | 175.5 | -174.2 | 0 | 0 | 0 | 0 | 111.5 | K13 C14 M19 V20 F21 | K13-C17 PolarHBondContact O-N 3.43Å; C14-C17 WeakPolarHBondContact O-CB 3.33Å; C14-C17 PolarHBondContact O-N 2.85Å; C14-C17 VanDerWaalsContact O-N 3.09Å; C17-M19 VanDerWaalsContact C-N 3.28Å; C17-M19 PolarHBondContact O-N 3.47Å; C17-V20 PolarHBondContact O-N 3.36Å; C17-V20 VanDerWaalsContact O-N 3.16Å; C17-F21 WeakPolarHBondContact O-CD2 3.49Å; C17-F21 PolarHBondContact O-N 3.5Å; C17-F21 VanDerWaalsContact O-N 3.09Å; C17-F21 WeakPolarHBondContact SG-CE2 3.46Å |
| 18 | C | 84.3 | Confident | 82.6 | Confident | 65 Ų | 65 | 73.6 Ų | 73.6 | 44% | 0.439 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.6 | -35.6 | 176.1 | -65.6 | 0 | 0 | 0 | 0 | 112.6 | C14 S15 G22 | C14-C18 PolarHBondContact O-N 2.97Å; C14-C18 PolarHBondContact O-SG 3.22Å; C14-C18 VanDerWaalsContact O-SG 3.33Å; S15-C18 PolarHBondContact O-N 3.09Å; C18-G22 WeakPolarHBondContact O-CA 3.3Å; C18-G22 PolarHBondContact O-N 3.36Å |
| 19 | M | 86.7 | Confident | 84.5 | Confident | 45 Ų | 45 | 71.4 Ų | 71.4 | 22% | 0.222 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 174.3 | -76.5 | -179.4 | 58 | 0 | 0 | 112.4 | S15 L16 C17 G22 A23 A86 F87 T90 | S15-M19 PolarHBondContact O-N 3.13Å; L16-M19 WeakPolarHBondContact O-CB 3.5Å; L16-M19 PolarHBondContact O-N 3.14Å; C17-M19 VanDerWaalsContact C-N 3.28Å; C17-M19 PolarHBondContact O-N 3.47Å; M19-G22 PolarHBondContact O-N 3.34Å; M19-A23 WeakPolarHBondContact O-CB 3.43Å; M19-A23 PolarHBondContact O-N 3.33Å; M19-A86 HydrophobicContact CG-CB 3.72Å; M19-F87 HydrophobicContact CE-CD2 4Å; M19-T90 HydrophobicContact SD-CG2 4.15Å; M19-T90 PolarHBondContact SD-OG1 2.9Å |
| 20 | V | 89.6 | Confident | 86.2 | Confident | 92 Ų | 92 | 66.2 Ų | 66.2 | 56% | 0.558 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -65.3 | -49.4 | -179.3 | 175.7 | 0 | 0 | 0 | 0 | 110.7 | L16 C17 G22 A23 W24 | L16-V20 WeakPolarHBondContact O-CG2 3.07Å; L16-V20 PolarHBondContact O-N 2.59Å; L16-V20 VanDerWaalsContact O-N 3.13Å; C17-V20 PolarHBondContact O-N 3.36Å; C17-V20 VanDerWaalsContact O-N 3.16Å; V20-G22 VanDerWaalsContact C-N 3.35Å; V20-G22 PolarHBondContact O-N 2.01Å; V20-A23 PolarHBondContact O-N 2.77Å; V20-W24 WeakPolarHBondContact O-CB 3.41Å; V20-W24 PolarHBondContact O-N 2.84Å |
| 21 | F | 90.1 | Very high | 87.8 | Confident | 139 Ų | 139 | 68.4 Ų | 68.4 | 61% | 0.61 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -66.2 | -36.8 | 177 | -76.3 | -65.1 | 0 | 0 | 0 | 112.6 | C17 G25 | C17-F21 WeakPolarHBondContact O-CD2 3.49Å; C17-F21 PolarHBondContact O-N 3.5Å; C17-F21 VanDerWaalsContact O-N 3.09Å; C17-F21 WeakPolarHBondContact SG-CE2 3.46Å; F21-G25 PolarHBondContact O-N 2.98Å |
| 22 | G | 91.4 | Very high | 88.9 | Confident | 8 Ų | 8 | 68.2 Ų | 68.2 | 8% | 0.082 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.2 | -45.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | C18 M19 V20 T26 | C18-G22 WeakPolarHBondContact O-CA 3.3Å; C18-G22 PolarHBondContact O-N 3.36Å; M19-G22 PolarHBondContact O-N 3.34Å; V20-G22 VanDerWaalsContact C-N 3.35Å; V20-G22 PolarHBondContact O-N 2.01Å; G22-T26 WeakPolarHBondContact O-CB 3.49Å; G22-T26 PolarHBondContact O-N 2.92Å; G22-T26 PolarHBondContact O-OG1 3.4Å |
| 23 | A | 92.8 | Very high | 90.1 | Very high | 36 Ų | 36 | 65.8 Ų | 65.8 | 30% | 0.298 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64 | -47.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | M19 V20 T26 I27 M83 | M19-A23 WeakPolarHBondContact O-CB 3.43Å; M19-A23 PolarHBondContact O-N 3.33Å; V20-A23 PolarHBondContact O-N 2.77Å; A23-T26 PolarHBondContact O-N 3.39Å; A23-I27 VanDerWaalsContact O-CG1 3.31Å; A23-I27 WeakPolarHBondContact O-CG1 3.31Å; A23-I27 PolarHBondContact O-N 3.49Å; A23-M83 HydrophobicContact CB-SD 4.2Å |
| 24 | W | 95.5 | Very high | 90.9 | Very high | 175 Ų | 175 | 61.3 Ų | 61.3 | 66% | 0.663 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -60.3 | -48.9 | 177.3 | 179.9 | -105.3 | 0 | 0 | 0 | 112.2 | V20 T26 I27 F28 | V20-W24 WeakPolarHBondContact O-CB 3.41Å; V20-W24 PolarHBondContact O-N 2.84Å; W24-T26 VanDerWaalsContact C-N 3.32Å; W24-T26 PolarHBondContact O-N 3.04Å; W24-I27 PolarHBondContact O-N 3.25Å; W24-F28 WeakPolarHBondContact O-CB 3.43Å; W24-F28 PolarHBondContact O-N 3.42Å |
| 25 | G | 95.2 | Very high | 91.7 | Very high | 11 Ų | 11 | 62.5 Ų | 62.5 | 11% | 0.113 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.7 | -38.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | F21 F28 L29 | F21-G25 PolarHBondContact O-N 2.98Å; G25-F28 PolarHBondContact O-N 3.49Å; G25-L29 WeakPolarHBondContact O-CB 3.32Å; G25-L29 VanDerWaalsContact O-CG 3.31Å; G25-L29 WeakPolarHBondContact O-CG 3.46Å; G25-L29 PolarHBondContact O-N 2.65Å |
| 26 | T | 95.6 | Very high | 92.3 | Very high | 18 Ų | 18 | 62.8 Ų | 62.8 | 11% | 0.11 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.1 | -48.2 | 175.1 | -56.2 | 0 | 0 | 0 | 0 | 111.3 | G22 A23 W24 A30 T76 Y79 V80 | G22-T26 WeakPolarHBondContact O-CB 3.49Å; G22-T26 PolarHBondContact O-N 2.92Å; G22-T26 PolarHBondContact O-OG1 3.4Å; A23-T26 PolarHBondContact O-N 3.39Å; W24-T26 VanDerWaalsContact C-N 3.32Å; W24-T26 PolarHBondContact O-N 3.04Å; T26-A30 VanDerWaalsContact O-CB 3.27Å; T26-A30 WeakPolarHBondContact O-CB 3.39Å; T26-A30 PolarHBondContact O-N 3.09Å; T26-T76 HydrophobicContact CG2-CG2 4.15Å; T26-Y79 WeakPolarHBondContact OG1-CB 3.39Å; T26-V80 HydrophobicContact CG2-CG2 3.6Å |
| 27 | I | 96.4 | Very high | 92.8 | Very high | 97 Ų | 97 | 64.8 Ų | 64.8 | 50% | 0.497 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.5 | -45.8 | -178.8 | -67.1 | 164.8 | 0 | 0 | 0 | 110.3 | A23 W24 A30 I31 | A23-I27 VanDerWaalsContact O-CG1 3.31Å; A23-I27 WeakPolarHBondContact O-CG1 3.31Å; A23-I27 PolarHBondContact O-N 3.49Å; W24-I27 PolarHBondContact O-N 3.25Å; I27-A30 PolarHBondContact O-N 2.99Å; I27-I31 HydrophobicContact CG2-CD1 3.97Å; I27-I31 WeakPolarHBondContact O-CG1 3.42Å; I27-I31 PolarHBondContact O-N 2.89Å; I27-I31 VanDerWaalsContact O-N 3.08Å |
| 28 | F | 95.4 | Very high | 93.1 | Very high | 110 Ų | 110 | 65.9 Ų | 65.9 | 48% | 0.482 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.6 | -49.7 | 179.6 | 178.5 | -108 | 0 | 0 | 0 | 112.1 | W24 G25 A30 I31 L32 | W24-F28 WeakPolarHBondContact O-CB 3.43Å; W24-F28 PolarHBondContact O-N 3.42Å; G25-F28 PolarHBondContact O-N 3.49Å; F28-A30 VanDerWaalsContact C-N 3.33Å; F28-A30 PolarHBondContact O-N 3.16Å; F28-I31 PolarHBondContact O-N 3.45Å; F28-L32 HydrophobicContact CD1-CD1 3.97Å; F28-L32 HydrophobicContact CD1-CG 4.5Å; F28-L32 HydrophobicContact CE1-CD1 3.35Å; F28-L32 HydrophobicContact CE1-CG 4.14Å; F28-L32 HydrophobicContact CE2-CD1 4.29Å; F28-L32 HydrophobicContact CE2-CD2 4.42Å; F28-L32 HydrophobicContact CE2-CG 4.3Å; F28-L32 HydrophobicContact CZ-CD1 3.55Å; F28-L32 HydrophobicContact CZ-CD2 4.27Å; F28-L32 HydrophobicContact CZ-CG 4.03Å; F28-L32 WeakPolarHBondContact O-CG 3.47Å; F28-L32 PolarHBondContact O-N 3.42Å |
| 29 | L | 95.4 | Very high | 93.3 | Very high | 31 Ų | 31 | 67.3 Ų | 67.3 | 16% | 0.162 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.7 | -34.5 | 179.2 | -70.5 | 172.1 | 0 | 0 | 0 | 112.6 | G25 L32 G33 C72 A75 T76 Y79 | G25-L29 WeakPolarHBondContact O-CB 3.32Å; G25-L29 VanDerWaalsContact O-CG 3.31Å; G25-L29 WeakPolarHBondContact O-CG 3.46Å; G25-L29 PolarHBondContact O-N 2.65Å; L29-L32 PolarHBondContact O-N 2.85Å; L29-G33 PolarHBondContact O-N 3.35Å; L29-C72 PolarHBondContact O-SG 3.21Å; L29-A75 HydrophobicContact CD1-CB 4.22Å; L29-T76 VanDerWaalsContact CB-OG1 3.31Å; L29-T76 WeakPolarHBondContact CB-OG1 3.35Å; L29-Y79 HydrophobicContact CD1-CD2 3.64Å; L29-Y79 HydrophobicContact CD1-CE2 3.68Å; L29-Y79 HydrophobicContact CD1-CG 4.11Å |
| 30 | A | 96.3 | Very high | 93.5 | Very high | 25 Ų | 25 | 66.5 Ų | 66.5 | 21% | 0.207 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | T26 I27 F28 G33 I34 T76 | T26-A30 VanDerWaalsContact O-CB 3.27Å; T26-A30 WeakPolarHBondContact O-CB 3.39Å; T26-A30 PolarHBondContact O-N 3.09Å; I27-A30 PolarHBondContact O-N 2.99Å; F28-A30 VanDerWaalsContact C-N 3.33Å; F28-A30 PolarHBondContact O-N 3.16Å; A30-G33 PolarHBondContact O-N 3.41Å; A30-I34 WeakPolarHBondContact O-CG1 3.36Å; A30-I34 PolarHBondContact O-N 2.88Å; A30-I34 VanDerWaalsContact O-N 3.14Å; A30-T76 HydrophobicContact CB-CG2 4.02Å |
| 31 | I | 96.2 | Very high | 93.4 | Very high | 90 Ų | 90 | 68 Ų | 68 | 46% | 0.462 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.8 | -47.4 | 176 | -66.5 | 166.1 | 0 | 0 | 0 | 110.2 | I27 F28 G33 I34 M35 | I27-I31 HydrophobicContact CG2-CD1 3.97Å; I27-I31 WeakPolarHBondContact O-CG1 3.42Å; I27-I31 PolarHBondContact O-N 2.89Å; I27-I31 VanDerWaalsContact O-N 3.08Å; F28-I31 PolarHBondContact O-N 3.45Å; I31-G33 VanDerWaalsContact C-N 3.31Å; I31-G33 PolarHBondContact O-N 3.02Å; I31-I34 PolarHBondContact O-N 3.21Å; I31-I34 VanDerWaalsContact O-N 3.14Å; I31-M35 HydrophobicContact CG2-CG 4.21Å; I31-M35 VanDerWaalsContact O-CG 3.32Å; I31-M35 WeakPolarHBondContact O-CG 3.42Å; I31-M35 PolarHBondContact O-N 2.84Å |
| 32 | L | 93.9 | Very high | 93.4 | Very high | 33 Ų | 33 | 68.8 Ų | 68.8 | 17% | 0.173 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.5 | -42.5 | 176.5 | -70.3 | -175.3 | 0 | 0 | 0 | 112.2 | F28 L29 I34 M35 F36 L43 | F28-L32 HydrophobicContact CD1-CD1 3.97Å; F28-L32 HydrophobicContact CD1-CG 4.5Å; F28-L32 HydrophobicContact CE1-CD1 3.35Å; F28-L32 HydrophobicContact CE1-CG 4.14Å; F28-L32 HydrophobicContact CE2-CD1 4.29Å; F28-L32 HydrophobicContact CE2-CD2 4.42Å; F28-L32 HydrophobicContact CE2-CG 4.3Å; F28-L32 HydrophobicContact CZ-CD1 3.55Å; F28-L32 HydrophobicContact CZ-CD2 4.27Å; F28-L32 HydrophobicContact CZ-CG 4.03Å; F28-L32 WeakPolarHBondContact O-CG 3.47Å; F28-L32 PolarHBondContact O-N 3.42Å; L29-L32 PolarHBondContact O-N 2.85Å; L32-I34 VanDerWaalsContact C-N 3.28Å; L32-I34 PolarHBondContact O-N 3.25Å; L32-M35 PolarHBondContact O-N 3.05Å; L32-M35 VanDerWaalsContact O-N 3.14Å; L32-F36 HydrophobicContact CB-CD2 4.49Å; L32-F36 HydrophobicContact CB-CE2 4.35Å; L32-F36 WeakPolarHBondContact O-CD2 3.45Å; L32-F36 PolarHBondContact O-N 2.97Å; L32-L43 HydrophobicContact CD2-CD1 4.07Å; L32-L43 HydrophobicContact CD2-CD2 4.02Å |
| 33 | G | 94.7 | Very high | 93.2 | Very high | 6 Ų | 6 | 69.4 Ų | 69.4 | 6% | 0.062 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.1 | -39.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L29 A30 I31 Y37 | L29-G33 PolarHBondContact O-N 3.35Å; A30-G33 PolarHBondContact O-N 3.41Å; I31-G33 VanDerWaalsContact C-N 3.31Å; I31-G33 PolarHBondContact O-N 3.02Å; G33-Y37 PolarHBondContact O-N 3.33Å; G33-Y37 VanDerWaalsContact O-N 3.15Å |
| 34 | I | 95.1 | Very high | 92.8 | Very high | 92 Ų | 92 | 72.3 Ų | 72.3 | 47% | 0.472 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -69.8 | -42.3 | 175.1 | -62.5 | 164.3 | 0 | 0 | 0 | 110.9 | A30 I31 L32 F36 Y37 T38 | A30-I34 WeakPolarHBondContact O-CG1 3.36Å; A30-I34 PolarHBondContact O-N 2.88Å; A30-I34 VanDerWaalsContact O-N 3.14Å; I31-I34 PolarHBondContact O-N 3.21Å; I31-I34 VanDerWaalsContact O-N 3.14Å; L32-I34 VanDerWaalsContact C-N 3.28Å; L32-I34 PolarHBondContact O-N 3.25Å; I34-F36 PolarHBondContact O-N 3.35Å; I34-Y37 WeakPolarHBondContact O-CB 3.49Å; I34-Y37 PolarHBondContact O-N 2.9Å; I34-Y37 VanDerWaalsContact O-N 3.16Å; I34-T38 PolarHBondContact O-N 2.67Å; I34-T38 PolarHBondContact O-OG1 3.22Å |
| 35 | M | 94.1 | Very high | 92.3 | Very high | 73 Ų | 73 | 71.2 Ų | 71.2 | 36% | 0.36 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.6 | -40.4 | 178 | -66 | -63.2 | 97.8 | 0 | 0 | 112 | I31 L32 Y37 T38 Q39 S40 L43 | I31-M35 HydrophobicContact CG2-CG 4.21Å; I31-M35 VanDerWaalsContact O-CG 3.32Å; I31-M35 WeakPolarHBondContact O-CG 3.42Å; I31-M35 PolarHBondContact O-N 2.84Å; L32-M35 PolarHBondContact O-N 3.05Å; L32-M35 VanDerWaalsContact O-N 3.14Å; M35-Y37 VanDerWaalsContact C-N 3.33Å; M35-Y37 PolarHBondContact O-N 3.35Å; M35-T38 WeakPolarHBondContact CA-OG1 3.44Å; M35-T38 CarbonylContact O-C 3.57Å; M35-T38 PolarHBondContact O-N 2.84Å; M35-T38 PolarHBondContact O-OG1 3.36Å; M35-Q39 PolarHBondContact O-N 2.76Å; M35-S40 PolarHBondContact O-N 3.23Å; M35-S40 VanDerWaalsContact O-N 3.17Å; M35-S40 PolarHBondContact O-OG 3.24Å; M35-L43 HydrophobicContact CB-CD2 4.34Å |
| 36 | F | 92.8 | Very high | 91.9 | Very high | 9 Ų | 9 | 74.6 Ų | 74.6 | 4% | 0.039 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.3 | -37.7 | 172 | -77.2 | -64.8 | 0 | 0 | 0 | 112.5 | L32 I34 T38 Q39 L43 D46 I47 Y65 T68 A69 C72 | L32-F36 HydrophobicContact CB-CD2 4.49Å; L32-F36 HydrophobicContact CB-CE2 4.35Å; L32-F36 WeakPolarHBondContact O-CD2 3.45Å; L32-F36 PolarHBondContact O-N 2.97Å; I34-F36 PolarHBondContact O-N 3.35Å; F36-T38 VanDerWaalsContact C-N 3.28Å; F36-T38 PolarHBondContact O-N 2.89Å; F36-Q39 PolarHBondContact O-N 3.39Å; F36-Q39 VanDerWaalsContact O-N 3.1Å; F36-L43 HydrophobicContact CD1-CB 4.29Å; F36-L43 HydrophobicContact CD1-CD2 3.61Å; F36-L43 HydrophobicContact CD1-CG 4.12Å; F36-L43 HydrophobicContact CD2-CD2 3.58Å; F36-L43 HydrophobicContact CE1-CB 3.86Å; F36-L43 HydrophobicContact CE1-CD2 3.33Å; F36-L43 HydrophobicContact CE1-CG 3.44Å; F36-L43 VanDerWaalsContact CE1-CG 3.44Å; F36-L43 HydrophobicContact CE2-CD2 3.3Å; F36-L43 HydrophobicContact CE2-CG 4.05Å; F36-L43 HydrophobicContact CG-CD2 3.7Å; F36-L43 HydrophobicContact CZ-CB 4.32Å; F36-L43 HydrophobicContact CZ-CD1 4.49Å; F36-L43 HydrophobicContact CZ-CD2 3.16Å; F36-L43 HydrophobicContact CZ-CG 3.39Å; F36-D46 HydrophobicContact CE1-CB 3.76Å; F36-D46 HydrophobicContact CZ-CB 3.45Å; F36-D46 VanDerWaalsContact CZ-CB 3.45Å; F36-I47 HydrophobicContact CD1-CD1 4.11Å; F36-I47 HydrophobicContact CE1-CD1 4Å; F36-Y65 AromaticContact CD1-CD1 3.9Å; F36-Y65 HydrophobicContact CD1-CD1 3.9Å; F36-Y65 HydrophobicContact CD1-CE1 4.19Å; F36-T68 HydrophobicContact CD1-CG2 4.01Å; F36-T68 HydrophobicContact CD2-CG2 4.31Å; F36-T68 HydrophobicContact CE1-CG2 3.59Å; F36-T68 HydrophobicContact CE2-CG2 3.91Å; F36-T68 HydrophobicContact CG-CG2 4.37Å; F36-T68 HydrophobicContact CZ-CG2 3.54Å; F36-A69 HydrophobicContact CB-CB 3.57Å; F36-C72 HydrophobicContact CD2-CB 4.37Å |
| 37 | Y | 91.3 | Very high | 91.4 | Very high | 144 Ų | 144 | 74 Ų | 74 | 57% | 0.565 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -63 | -36.7 | 175.9 | -165.2 | -81.4 | 0 | 0 | 0 | 112.2 | G33 I34 M35 Q39 R66 | G33-Y37 PolarHBondContact O-N 3.33Å; G33-Y37 VanDerWaalsContact O-N 3.15Å; I34-Y37 WeakPolarHBondContact O-CB 3.49Å; I34-Y37 PolarHBondContact O-N 2.9Å; I34-Y37 VanDerWaalsContact O-N 3.16Å; M35-Y37 VanDerWaalsContact C-N 3.33Å; M35-Y37 PolarHBondContact O-N 3.35Å; Y37-Q39 PolarHBondContact O-N 3.41Å; Y37-R66 PolarHBondContact OH-NH1 2.92Å |
| 38 | T | 91.6 | Very high | 90.6 | Very high | 85 Ų | 85 | 76.6 Ų | 76.6 | 52% | 0.521 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 3.6 | 176.4 | 57.4 | 0 | 0 | 0 | 0 | 113.6 | I34 M35 F36 S40 | I34-T38 PolarHBondContact O-N 2.67Å; I34-T38 PolarHBondContact O-OG1 3.22Å; M35-T38 WeakPolarHBondContact CA-OG1 3.44Å; M35-T38 CarbonylContact O-C 3.57Å; M35-T38 PolarHBondContact O-N 2.84Å; M35-T38 PolarHBondContact O-OG1 3.36Å; F36-T38 VanDerWaalsContact C-N 3.28Å; F36-T38 PolarHBondContact O-N 2.89Å; T38-S40 VanDerWaalsContact C-N 3.3Å; T38-S40 PolarHBondContact O-N 3.5Å |
| 39 | Q | 89.4 | Confident | 89.5 | Confident | 95 Ų | 95 | 76.3 Ų | 76.3 | 44% | 0.444 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 43.7 | 179.7 | -49.6 | -177.5 | -87.8 | 0 | 0 | 112.7 | M35 F36 Y37 V41 Y65 | M35-Q39 PolarHBondContact O-N 2.76Å; F36-Q39 PolarHBondContact O-N 3.39Å; F36-Q39 VanDerWaalsContact O-N 3.1Å; Y37-Q39 PolarHBondContact O-N 3.41Å; Q39-V41 PolarHBondContact O-N 2.96Å; Q39-Y65 HydrophobicContact CB-CD1 4.3Å; Q39-Y65 HydrophobicContact CB-CG 4.32Å; Q39-Y65 HydrophobicContact CG-CG 4.3Å |
| 40 | S | 89.8 | Confident | 88.1 | Confident | 28 Ų | 28 | 82 Ų | 82 | 20% | 0.196 | 41% | 0.409 | C | S | . | . | trans | -60.3 | 128.5 | -178.5 | 65.1 | 0 | 0 | 0 | 0 | 111.7 | M35 T38 L42 L43 Y65 | M35-S40 PolarHBondContact O-N 3.23Å; M35-S40 VanDerWaalsContact O-N 3.17Å; M35-S40 PolarHBondContact O-OG 3.24Å; T38-S40 VanDerWaalsContact C-N 3.3Å; T38-S40 PolarHBondContact O-N 3.5Å; S40-L42 PolarHBondContact O-N 2.97Å; S40-L42 VanDerWaalsContact O-N 3.15Å; S40-L43 PolarHBondContact O-N 3.48Å; S40-L43 VanDerWaalsContact O-N 3.12Å; S40-Y65 PolarHBondContact O-OH 3.06Å | ||
| 41 | V | 87.9 | Confident | 86.6 | Confident | 124 Ų | 124 | 86.7 Ų | 86.7 | 75% | 0.752 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -60 | -27.2 | -178.8 | -176.3 | 0 | 0 | 0 | 0 | 112.7 | Q39 L43 F44 | Q39-V41 PolarHBondContact O-N 2.96Å; V41-L43 PolarHBondContact O-N 3.26Å; V41-F44 WeakPolarHBondContact O-CD1 3.27Å; V41-F44 PolarHBondContact O-N 3Å |
| 42 | L | 90.3 | Very high | 85 | Confident | 155 Ų | 155 | 90 Ų | 90 | 81% | 0.812 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -61.4 | -26 | 179.1 | -175.8 | 62.2 | 0 | 0 | 0 | 113.3 | S40 | S40-L42 PolarHBondContact O-N 2.97Å; S40-L42 VanDerWaalsContact O-N 3.15Å |
| 43 | L | 88.1 | Confident | 83.3 | Confident | 21 Ų | 21 | 92.7 Ų | 92.7 | 11% | 0.11 | 47% | 0.465 | C | S | . | . | G | 310 helix | trans | -103.5 | 20.8 | -169.3 | -133.5 | 59.4 | 0 | 0 | 0 | 112.5 | L32 M35 F36 S40 V41 E45 D46 | L32-L43 HydrophobicContact CD2-CD1 4.07Å; L32-L43 HydrophobicContact CD2-CD2 4.02Å; M35-L43 HydrophobicContact CB-CD2 4.34Å; F36-L43 HydrophobicContact CD1-CB 4.29Å; F36-L43 HydrophobicContact CD1-CD2 3.61Å; F36-L43 HydrophobicContact CD1-CG 4.12Å; F36-L43 HydrophobicContact CD2-CD2 3.58Å; F36-L43 HydrophobicContact CE1-CB 3.86Å; F36-L43 HydrophobicContact CE1-CD2 3.33Å; F36-L43 HydrophobicContact CE1-CG 3.44Å; F36-L43 VanDerWaalsContact CE1-CG 3.44Å; F36-L43 HydrophobicContact CE2-CD2 3.3Å; F36-L43 HydrophobicContact CE2-CG 4.05Å; F36-L43 HydrophobicContact CG-CD2 3.7Å; F36-L43 HydrophobicContact CZ-CB 4.32Å; F36-L43 HydrophobicContact CZ-CD1 4.49Å; F36-L43 HydrophobicContact CZ-CD2 3.16Å; F36-L43 HydrophobicContact CZ-CG 3.39Å; S40-L43 PolarHBondContact O-N 3.48Å; S40-L43 VanDerWaalsContact O-N 3.12Å; V41-L43 PolarHBondContact O-N 3.26Å; L43-E45 PolarHBondContact O-N 2.93Å; L43-D46 WeakPolarHBondContact CD1-OD2 3.44Å; L43-D46 HydrophobicContact CG-CB 4.47Å; L43-D46 WeakPolarHBondContact CG-OD2 3.38Å; L43-D46 PolarHBondContact O-N 3.2Å |
| 44 | F | 84.7 | Confident | 81.7 | Confident | 97 Ų | 97 | 97.2 Ų | 97.2 | 43% | 0.425 | 50% | 0.496 | S | S | . | . | G | 310 helix | trans | -64.3 | -29 | -179.3 | 77.2 | -79.1 | 0 | 0 | 0 | 112.9 | V41 D46 I47 Y49 Y65 | V41-F44 WeakPolarHBondContact O-CD1 3.27Å; V41-F44 PolarHBondContact O-N 3Å; F44-D46 VanDerWaalsContact C-N 3.33Å; F44-D46 PolarHBondContact O-N 3.39Å; F44-I47 WeakPolarHBondContact O-CB 3.31Å; F44-I47 PolarHBondContact O-N 2.96Å; F44-Y49 PolarHBondContact O-OH 2.95Å; F44-Y49 VanDerWaalsContact O-OH 3.12Å; F44-Y65 WeakPolarHBondContact CA-OH 3.31Å; F44-Y65 PolarHBondContact N-OH 3.42Å |
| 45 | E | 85 | Confident | 80.2 | Confident | 152 Ų | 152 | 99.7 Ų | 99.7 | 71% | 0.71 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -72.3 | -25.8 | -178.9 | -60.2 | -174.2 | 168.7 | 0 | 0 | 113.1 | L43 I47 | L43-E45 PolarHBondContact O-N 2.93Å; E45-I47 PolarHBondContact O-N 3.06Å |
| 46 | D | 86.2 | Confident | 78.8 | Confident | 81 Ų | 81 | 98 Ų | 98 | 43% | 0.433 | 50% | 0.496 | S | S | . | . | G | 310 helix | trans | -80.1 | -7.8 | 177.3 | -71.9 | -45.9 | 0 | 0 | 0 | 112.7 | F36 L43 F44 H48 | F36-D46 HydrophobicContact CE1-CB 3.76Å; F36-D46 HydrophobicContact CZ-CB 3.45Å; F36-D46 VanDerWaalsContact CZ-CB 3.45Å; L43-D46 WeakPolarHBondContact CD1-OD2 3.44Å; L43-D46 HydrophobicContact CG-CB 4.47Å; L43-D46 WeakPolarHBondContact CG-OD2 3.38Å; L43-D46 PolarHBondContact O-N 3.2Å; F44-D46 VanDerWaalsContact C-N 3.33Å; F44-D46 PolarHBondContact O-N 3.39Å; D46-H48 PolarHBondContact O-ND1 3.09Å |
| 47 | I | 85.2 | Confident | 78.1 | Confident | 6 Ų | 6 | 99.7 Ų | 99.7 | 3% | 0.031 | 51% | 0.509 | C | S | . | . | S | Bend | trans | -78.3 | 127.2 | 175 | -54.5 | -57 | 0 | 0 | 0 | 109 | F36 F44 E45 Y49 R64 Y65 | F36-I47 HydrophobicContact CD1-CD1 4.11Å; F36-I47 HydrophobicContact CE1-CD1 4Å; F44-I47 WeakPolarHBondContact O-CB 3.31Å; F44-I47 PolarHBondContact O-N 2.96Å; E45-I47 PolarHBondContact O-N 3.06Å; I47-Y49 HydrophobicContact CB-CE2 4.22Å; I47-Y49 HydrophobicContact CG2-CE1 4.14Å; I47-Y49 WeakPolarHBondContact O-CD2 3.37Å; I47-Y49 VanDerWaalsContact O-CE2 3.24Å; I47-Y49 WeakPolarHBondContact O-CE2 3.49Å; I47-Y49 PolarHBondContact O-N 3.21Å; I47-R64 HydrophobicContact CG2-CB 3.59Å; I47-Y65 HydrophobicContact CD1-CD1 3.69Å; I47-Y65 HydrophobicContact CD1-CD2 3.88Å; I47-Y65 HydrophobicContact CD1-CE1 3.9Å; I47-Y65 HydrophobicContact CD1-CE2 4.09Å; I47-Y65 HydrophobicContact CD1-CG 3.68Å; I47-Y65 HydrophobicContact CG1-CD1 4.32Å; I47-Y65 HydrophobicContact CG1-CD2 3.99Å; I47-Y65 HydrophobicContact CG1-CE1 4.07Å; I47-Y65 HydrophobicContact CG1-CE2 3.74Å; I47-Y65 HydrophobicContact CG1-CG 4.27Å |
| 48 | H | 79.3 | Confident | 77.5 | Confident | 151 Ų | 151 | 98.8 Ų | 98.8 | 70% | 0.699 | 52% | 0.519 | S | S | * | . | trans | -82.9 | 117.5 | 177.6 | -68.6 | 63.4 | 0 | 0 | 0 | 109.9 | D46 | D46-H48 PolarHBondContact O-ND1 3.09Š| ||
| 49 | Y | 72.4 | Confident | 77.2 | Confident | 105 Ų | 105 | 97.8 Ų | 97.8 | 41% | 0.412 | 52% | 0.515 | S | S | . | . | trans | -97.9 | 115.6 | 175.1 | -55 | -80.4 | 0 | 0 | 0 | 109.3 | F44 I47 F56 | F44-Y49 PolarHBondContact O-OH 2.95Å; F44-Y49 VanDerWaalsContact O-OH 3.12Å; I47-Y49 HydrophobicContact CB-CE2 4.22Å; I47-Y49 HydrophobicContact CG2-CE1 4.14Å; I47-Y49 WeakPolarHBondContact O-CD2 3.37Å; I47-Y49 VanDerWaalsContact O-CE2 3.24Å; I47-Y49 WeakPolarHBondContact O-CE2 3.49Å; I47-Y49 PolarHBondContact O-N 3.21Å; Y49-F56 HydrophobicContact CD1-CE1 4.05Å; Y49-F56 HydrophobicContact CD1-CE2 4.46Å; Y49-F56 HydrophobicContact CD1-CZ 4.02Å | ||
| 50 | E | 66.4 | Low | 77 | Confident | 151 Ų | 151 | 96.6 Ų | 96.6 | 71% | 0.706 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -82.7 | -19.8 | 173.7 | -82.4 | 180 | 109.3 | 0 | 0 | 113.1 | R64 | E50-R64 IonicContact OE2-CZ 3.48Å; E50-R64 IonicContact OE2-NH1 3.12Å; E50-R64 PolarHBondContact OE2-NH1 2.9Å; E50-R64 VanDerWaalsContact OE2-NH1 3.12Å; E50-R64 IonicContact OE2-NH2 2.91Å; E50-R64 PolarHBondContact OE2-NH2 3.14Å |
| 51 | K | 64.3 | Low | 76.7 | Confident | 122 Ų | 122 | 97.9 Ų | 97.9 | 53% | 0.53 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -122.3 | 163.8 | -174.9 | -66.5 | -178.1 | -179.4 | 174 | 0 | 110.6 | F56 | K51-F56 HydrophobicContact CB-CE2 3.62Å; K51-F56 HydrophobicContact CB-CZ 3.91Å; K51-F56 VanDerWaalsContact O-CE2 3.29Å; K51-F56 WeakPolarHBondContact O-CE2 3.43Å |
| 52 | E | 62.2 | Low | 76.7 | Confident | 160 Ų | 160 | 94.1 Ų | 94.1 | 75% | 0.748 | 49% | 0.492 | S | S | * | . | trans | -60.1 | 138.5 | 170.9 | -63.5 | -161.9 | 124.3 | 0 | 0 | 110 | S54 E55 F56 | E52-S54 PolarHBondContact O-N 3.48Å; E52-E55 PolarHBondContact O-N 3.32Å; E52-F56 WeakPolarHBondContact O-CD2 3.4Å; E52-F56 WeakPolarHBondContact O-CE2 3.33Å | ||
| 53 | A | 59 | Low | 76.6 | Confident | 89 Ų | 89 | 93 Ų | 93 | 74% | 0.736 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -57.3 | -13.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | E55 | A53-E55 VanDerWaalsContact C-N 3.3Å; A53-E55 PolarHBondContact O-N 2.95Å |
| 54 | S | 60.5 | Low | 76.6 | Confident | 102 Ų | 102 | 96.2 Ų | 96.2 | 71% | 0.713 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | -69.7 | -18.5 | -177.3 | 52.9 | 0 | 0 | 0 | 0 | 114.6 | E52 | E52-S54 PolarHBondContact O-N 3.48Š|
| 55 | E | 63.4 | Low | 76.9 | Confident | 143 Ų | 143 | 92.3 Ų | 92.3 | 67% | 0.668 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -109.3 | 0.1 | -173.7 | -63.7 | -164.7 | 124.7 | 0 | 0 | 115.4 | E52 A53 S57 | E52-E55 PolarHBondContact O-N 3.32Å; A53-E55 VanDerWaalsContact C-N 3.3Å; A53-E55 PolarHBondContact O-N 2.95Å; E55-S57 PolarHBondContact O-N 3.46Å |
| 56 | F | 65.2 | Low | 77.2 | Confident | 38 Ų | 38 | 90.1 Ų | 90.1 | 17% | 0.167 | 46% | 0.462 | C | S | . | . | trans | -78 | 123.7 | -170.4 | -77.9 | -107.1 | 0 | 0 | 0 | 112.7 | Y49 K51 E52 E60 I61 | Y49-F56 HydrophobicContact CD1-CE1 4.05Å; Y49-F56 HydrophobicContact CD1-CE2 4.46Å; Y49-F56 HydrophobicContact CD1-CZ 4.02Å; K51-F56 HydrophobicContact CB-CE2 3.62Å; K51-F56 HydrophobicContact CB-CZ 3.91Å; K51-F56 VanDerWaalsContact O-CE2 3.29Å; K51-F56 WeakPolarHBondContact O-CE2 3.43Å; E52-F56 WeakPolarHBondContact O-CD2 3.4Å; E52-F56 WeakPolarHBondContact O-CE2 3.33Å; F56-E60 HydrophobicContact CD1-CB 4.45Å; F56-I61 HydrophobicContact CB-CD1 4.21Å; F56-I61 HydrophobicContact CB-CG1 4.08Å; F56-I61 HydrophobicContact CD1-CG1 4.31Å | ||
| 57 | S | 78.6 | Confident | 77.5 | Confident | 44 Ų | 44 | 89.2 Ų | 89.2 | 31% | 0.308 | 46% | 0.462 | S | S | . | . | trans | -72.7 | 149.5 | 164.7 | 68 | 0 | 0 | 0 | 0 | 111.1 | E55 S59 E60 I61 | E55-S57 PolarHBondContact O-N 3.46Å; S57-S59 PolarHBondContact O-N 2.97Å; S57-S59 PolarHBondContact OG-OG 3.08Å; S57-E60 WeakPolarHBondContact CB-OE2 3.48Å; S57-E60 PolarHBondContact N-OE2 3.43Å; S57-E60 PolarHBondContact O-N 2.97Å; S57-E60 VanDerWaalsContact O-N 3.08Å; S57-E60 VanDerWaalsContact OG-CD 3.3Å; S57-E60 WeakPolarHBondContact OG-CG 3.31Å; S57-E60 PolarHBondContact OG-N 3.43Å; S57-E60 PolarHBondContact OG-OE2 3.25Å; S57-I61 PolarHBondContact O-N 3.41Å; S57-I61 VanDerWaalsContact O-N 3.17Å | ||
| 58 | T | 78.9 | Confident | 77.8 | Confident | 126 Ų | 126 | 89.9 Ų | 89.9 | 77% | 0.773 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -58.8 | -30.6 | 176 | 52 | 0 | 0 | 0 | 0 | 112.4 | S62 | T58-S62 PolarHBondContact O-N 3.41Å |
| 59 | S | 83.7 | Confident | 78.5 | Confident | 63 Ų | 63 | 83 Ų | 83 | 44% | 0.441 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.7 | -47.5 | 172.3 | 37.2 | 0 | 0 | 0 | 0 | 112.4 | S57 I61 S62 E63 | S57-S59 PolarHBondContact O-N 2.97Å; S57-S59 PolarHBondContact OG-OG 3.08Å; S59-I61 VanDerWaalsContact C-N 3.32Å; S59-I61 PolarHBondContact O-N 2.87Å; S59-S62 WeakPolarHBondContact O-CB 3.46Å; S59-S62 PolarHBondContact O-N 2.76Å; S59-S62 VanDerWaalsContact O-N 3.12Å; S59-S62 PolarHBondContact O-OG 3.16Å; S59-E63 PolarHBondContact O-N 2.86Å; S59-E63 VanDerWaalsContact O-N 3.12Å |
| 60 | E | 85.1 | Confident | 79.5 | Confident | 71 Ų | 71 | 83.1 Ų | 83.1 | 33% | 0.332 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.9 | -40.4 | 179.3 | -74.8 | 164.9 | 118.9 | 0 | 0 | 111.3 | F56 S57 S62 E63 R64 | F56-E60 HydrophobicContact CD1-CB 4.45Å; S57-E60 WeakPolarHBondContact CB-OE2 3.48Å; S57-E60 PolarHBondContact N-OE2 3.43Å; S57-E60 PolarHBondContact O-N 2.97Å; S57-E60 VanDerWaalsContact O-N 3.08Å; S57-E60 VanDerWaalsContact OG-CD 3.3Å; S57-E60 WeakPolarHBondContact OG-CG 3.31Å; S57-E60 PolarHBondContact OG-N 3.43Å; S57-E60 PolarHBondContact OG-OE2 3.25Å; E60-S62 VanDerWaalsContact C-N 3.27Å; E60-S62 PolarHBondContact O-N 3.28Å; E60-E63 PolarHBondContact O-N 3.5Å; E60-R64 WeakPolarHBondContact O-CG 3.42Å; E60-R64 PolarHBondContact O-N 3.43Å |
| 61 | I | 84.8 | Confident | 80.9 | Confident | 55 Ų | 55 | 80.7 Ų | 80.7 | 28% | 0.282 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -57.8 | -44 | 175.7 | -63.8 | 170.1 | 0 | 0 | 0 | 110.1 | F56 S57 S59 E63 R64 Y65 | F56-I61 HydrophobicContact CB-CD1 4.21Å; F56-I61 HydrophobicContact CB-CG1 4.08Å; F56-I61 HydrophobicContact CD1-CG1 4.31Å; S57-I61 PolarHBondContact O-N 3.41Å; S57-I61 VanDerWaalsContact O-N 3.17Å; S59-I61 VanDerWaalsContact C-N 3.32Å; S59-I61 PolarHBondContact O-N 2.87Å; I61-E63 VanDerWaalsContact C-N 3.33Å; I61-E63 PolarHBondContact O-N 2.92Å; I61-R64 PolarHBondContact O-N 3.22Å; I61-Y65 HydrophobicContact CG2-CD2 3.79Å; I61-Y65 HydrophobicContact CG2-CE2 3.77Å; I61-Y65 WeakPolarHBondContact O-CD2 3.47Å; I61-Y65 PolarHBondContact O-N 3.39Å |
| 62 | S | 87 | Confident | 82.3 | Confident | 44 Ų | 44 | 75.6 Ų | 75.6 | 31% | 0.308 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.6 | -38.1 | 178.9 | 78.4 | 0 | 0 | 0 | 0 | 113.7 | T58 S59 E60 R64 Y65 R66 | T58-S62 PolarHBondContact O-N 3.41Å; S59-S62 WeakPolarHBondContact O-CB 3.46Å; S59-S62 PolarHBondContact O-N 2.76Å; S59-S62 VanDerWaalsContact O-N 3.12Å; S59-S62 PolarHBondContact O-OG 3.16Å; E60-S62 VanDerWaalsContact C-N 3.27Å; E60-S62 PolarHBondContact O-N 3.28Å; S62-R64 VanDerWaalsContact C-N 3.35Å; S62-Y65 PolarHBondContact O-N 3.14Å; S62-R66 PolarHBondContact O-N 3.37Å |
| 63 | E | 88.9 | Confident | 83.9 | Confident | 132 Ų | 132 | 75.1 Ų | 75.1 | 62% | 0.617 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -66.9 | -37.6 | 175.9 | -68.1 | -179.7 | 178.9 | 0 | 0 | 111.6 | S59 E60 I61 R66 S67 | S59-E63 PolarHBondContact O-N 2.86Å; S59-E63 VanDerWaalsContact O-N 3.12Å; E60-E63 PolarHBondContact O-N 3.5Å; I61-E63 VanDerWaalsContact C-N 3.33Å; I61-E63 PolarHBondContact O-N 2.92Å; E63-R66 WeakPolarHBondContact O-CB 3.32Å; E63-R66 PolarHBondContact O-N 3.48Å; E63-S67 PolarHBondContact O-N 3.35Å |
| 64 | R | 88.1 | Confident | 85.7 | Confident | 88 Ų | 88 | 76.7 Ų | 76.7 | 33% | 0.332 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.9 | -42.3 | 176.9 | -60.3 | -58.9 | 179.3 | 154 | 6 | 112.2 | I47 E50 E60 I61 S62 R66 S67 T68 | I47-R64 HydrophobicContact CG2-CB 3.59Å; E50-R64 IonicContact OE2-CZ 3.48Å; E50-R64 IonicContact OE2-NH1 3.12Å; E50-R64 PolarHBondContact OE2-NH1 2.9Å; E50-R64 VanDerWaalsContact OE2-NH1 3.12Å; E50-R64 IonicContact OE2-NH2 2.91Å; E50-R64 PolarHBondContact OE2-NH2 3.14Å; E60-R64 WeakPolarHBondContact O-CG 3.42Å; E60-R64 PolarHBondContact O-N 3.43Å; I61-R64 PolarHBondContact O-N 3.22Å; S62-R64 VanDerWaalsContact C-N 3.35Å; R64-R66 VanDerWaalsContact C-N 3.25Å; R64-R66 PolarHBondContact O-N 2.95Å; R64-S67 PolarHBondContact O-N 3.2Å; R64-T68 PolarHBondContact O-N 3.12Å; R64-T68 PolarHBondContact O-OG1 3.44Å |
| 65 | Y | 91.4 | Very high | 87.4 | Confident | 15 Ų | 15 | 73.7 Ų | 73.7 | 6% | 0.059 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -54.7 | -44.6 | 169.8 | -92.7 | -86.8 | 0 | 0 | 0 | 111.4 | F36 Q39 S40 F44 I47 I61 S62 S67 T68 A69 | F36-Y65 AromaticContact CD1-CD1 3.9Å; F36-Y65 HydrophobicContact CD1-CD1 3.9Å; F36-Y65 HydrophobicContact CD1-CE1 4.19Å; Q39-Y65 HydrophobicContact CB-CD1 4.3Å; Q39-Y65 HydrophobicContact CB-CG 4.32Å; Q39-Y65 HydrophobicContact CG-CG 4.3Å; S40-Y65 PolarHBondContact O-OH 3.06Å; F44-Y65 WeakPolarHBondContact CA-OH 3.31Å; F44-Y65 PolarHBondContact N-OH 3.42Å; I47-Y65 HydrophobicContact CD1-CD1 3.69Å; I47-Y65 HydrophobicContact CD1-CD2 3.88Å; I47-Y65 HydrophobicContact CD1-CE1 3.9Å; I47-Y65 HydrophobicContact CD1-CE2 4.09Å; I47-Y65 HydrophobicContact CD1-CG 3.68Å; I47-Y65 HydrophobicContact CG1-CD1 4.32Å; I47-Y65 HydrophobicContact CG1-CD2 3.99Å; I47-Y65 HydrophobicContact CG1-CE1 4.07Å; I47-Y65 HydrophobicContact CG1-CE2 3.74Å; I47-Y65 HydrophobicContact CG1-CG 4.27Å; I61-Y65 HydrophobicContact CG2-CD2 3.79Å; I61-Y65 HydrophobicContact CG2-CE2 3.77Å; I61-Y65 WeakPolarHBondContact O-CD2 3.47Å; I61-Y65 PolarHBondContact O-N 3.39Å; S62-Y65 PolarHBondContact O-N 3.14Å; Y65-S67 PolarHBondContact O-N 2.84Å; Y65-T68 PolarHBondContact O-N 3.33Å; Y65-A69 WeakPolarHBondContact O-CB 3.35Å; Y65-A69 PolarHBondContact O-N 3.3Å |
| 66 | R | 91.2 | Very high | 89 | Confident | 106 Ų | 106 | 67.3 Ų | 67.3 | 40% | 0.4 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 178.9 | -173.7 | 56.9 | 177.3 | -121.3 | 6.3 | 112.3 | Y37 S62 E63 R64 A69 F70 | Y37-R66 PolarHBondContact OH-NH1 2.92Å; S62-R66 PolarHBondContact O-N 3.37Å; E63-R66 WeakPolarHBondContact O-CB 3.32Å; E63-R66 PolarHBondContact O-N 3.48Å; R64-R66 VanDerWaalsContact C-N 3.25Å; R64-R66 PolarHBondContact O-N 2.95Å; R66-A69 WeakPolarHBondContact O-CB 3.33Å; R66-A69 PolarHBondContact O-N 3.02Å; R66-F70 HydrophobicContact CG-CD2 4.05Å; R66-F70 HydrophobicContact CG-CE2 3.84Å; R66-F70 WeakPolarHBondContact O-CD2 3.46Å; R66-F70 PolarHBondContact O-N 3.36Å; R66-F70 VanDerWaalsContact O-N 3.08Å |
| 67 | S | 91.2 | Very high | 90.5 | Very high | 62 Ų | 62 | 67.3 Ų | 67.3 | 43% | 0.434 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.3 | -47.5 | 176.7 | -171.1 | 0 | 0 | 0 | 0 | 111.8 | E63 R64 Y65 A69 F70 N71 | E63-S67 PolarHBondContact O-N 3.35Å; R64-S67 PolarHBondContact O-N 3.2Å; Y65-S67 PolarHBondContact O-N 2.84Å; S67-A69 VanDerWaalsContact C-N 3.34Å; S67-A69 PolarHBondContact O-N 3.47Å; S67-F70 PolarHBondContact O-N 3.31Å; S67-N71 PolarHBondContact O-N 3.19Å |
| 68 | T | 91.5 | Very high | 91.3 | Very high | 21 Ų | 21 | 67 Ų | 67 | 13% | 0.129 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.2 | -39.6 | 175.7 | -57.5 | 0 | 0 | 0 | 0 | 111.8 | F36 R64 Y65 F70 N71 C72 | F36-T68 HydrophobicContact CD1-CG2 4.01Å; F36-T68 HydrophobicContact CD2-CG2 4.31Å; F36-T68 HydrophobicContact CE1-CG2 3.59Å; F36-T68 HydrophobicContact CE2-CG2 3.91Å; F36-T68 HydrophobicContact CG-CG2 4.37Å; F36-T68 HydrophobicContact CZ-CG2 3.54Å; R64-T68 PolarHBondContact O-N 3.12Å; R64-T68 PolarHBondContact O-OG1 3.44Å; Y65-T68 PolarHBondContact O-N 3.33Å; T68-F70 VanDerWaalsContact C-N 3.31Å; T68-F70 PolarHBondContact O-N 3.14Å; T68-N71 PolarHBondContact O-N 3.15Å; T68-C72 PolarHBondContact O-N 3.37Å |
| 69 | A | 94.4 | Very high | 92 | Very high | 7 Ų | 7 | 65.8 Ų | 65.8 | 6% | 0.058 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -56.8 | -43.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | F36 Y65 R66 S67 C72 W73 | F36-A69 HydrophobicContact CB-CB 3.57Å; Y65-A69 WeakPolarHBondContact O-CB 3.35Å; Y65-A69 PolarHBondContact O-N 3.3Å; R66-A69 WeakPolarHBondContact O-CB 3.33Å; R66-A69 PolarHBondContact O-N 3.02Å; S67-A69 VanDerWaalsContact C-N 3.34Å; S67-A69 PolarHBondContact O-N 3.47Å; A69-C72 PolarHBondContact O-N 2.92Å; A69-W73 PolarHBondContact O-N 3.45Å |
| 70 | F | 94.5 | Very high | 92.6 | Very high | 106 Ų | 106 | 65.3 Ų | 65.3 | 47% | 0.465 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.6 | -41.2 | 177.7 | -86.7 | -65.8 | 0 | 0 | 0 | 112.3 | R66 S67 T68 C72 W73 I74 | R66-F70 HydrophobicContact CG-CD2 4.05Å; R66-F70 HydrophobicContact CG-CE2 3.84Å; R66-F70 WeakPolarHBondContact O-CD2 3.46Å; R66-F70 PolarHBondContact O-N 3.36Å; R66-F70 VanDerWaalsContact O-N 3.08Å; S67-F70 PolarHBondContact O-N 3.31Å; T68-F70 VanDerWaalsContact C-N 3.31Å; T68-F70 PolarHBondContact O-N 3.14Å; F70-C72 VanDerWaalsContact C-N 3.34Å; F70-C72 PolarHBondContact O-N 3.37Å; F70-W73 PolarHBondContact O-N 3.17Å; F70-I74 VanDerWaalsContact O-CG1 3.3Å; F70-I74 WeakPolarHBondContact O-CG1 3.4Å; F70-I74 PolarHBondContact O-N 3.33Å |
| 71 | N | 94.2 | Very high | 93.1 | Very high | 101 Ų | 101 | 65.8 Ų | 65.8 | 54% | 0.54 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 175.7 | -67.2 | -28.1 | 0 | 0 | 0 | 111.6 | S67 T68 W73 I74 A75 | S67-N71 PolarHBondContact O-N 3.19Å; T68-N71 PolarHBondContact O-N 3.15Å; N71-W73 VanDerWaalsContact C-N 3.32Å; N71-W73 PolarHBondContact O-N 3.15Å; N71-I74 PolarHBondContact O-N 3.39Å; N71-A75 WeakPolarHBondContact O-CB 3.12Å; N71-A75 PolarHBondContact O-N 3.28Å |
| 72 | C | 95.3 | Very high | 93.3 | Very high | 14 Ų | 14 | 67 Ų | 67 | 10% | 0.095 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.5 | -36.6 | 176 | -164.6 | 0 | 0 | 0 | 0 | 112 | L29 F36 T68 A69 F70 A75 T76 | L29-C72 PolarHBondContact O-SG 3.21Å; F36-C72 HydrophobicContact CD2-CB 4.37Å; T68-C72 PolarHBondContact O-N 3.37Å; A69-C72 PolarHBondContact O-N 2.92Å; F70-C72 VanDerWaalsContact C-N 3.34Å; F70-C72 PolarHBondContact O-N 3.37Å; C72-A75 PolarHBondContact O-N 2.93Å; C72-T76 WeakPolarHBondContact O-CB 3.16Å; C72-T76 PolarHBondContact O-N 3.19Å; C72-T76 PolarHBondContact O-OG1 3.29Å |
| 73 | W | 95.7 | Very high | 93.5 | Very high | 150 Ų | 150 | 67.9 Ų | 67.9 | 57% | 0.568 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -68.8 | -41.4 | 176.5 | -161.9 | -106.3 | 0 | 0 | 0 | 112.5 | A69 F70 N71 A75 T76 G77 | A69-W73 PolarHBondContact O-N 3.45Å; F70-W73 PolarHBondContact O-N 3.17Å; N71-W73 VanDerWaalsContact C-N 3.32Å; N71-W73 PolarHBondContact O-N 3.15Å; W73-A75 VanDerWaalsContact C-N 3.34Å; W73-T76 WeakPolarHBondContact O-CB 3.36Å; W73-T76 PolarHBondContact O-N 3.43Å; W73-G77 PolarHBondContact O-N 3.47Å |
| 74 | I | 96.6 | Very high | 93.5 | Very high | 122 Ų | 122 | 65.4 Ų | 65.4 | 63% | 0.626 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -61.7 | -44.2 | 173.7 | -66.9 | 164.8 | 0 | 0 | 0 | 110.2 | F70 N71 T76 G77 G78 | F70-I74 VanDerWaalsContact O-CG1 3.3Å; F70-I74 WeakPolarHBondContact O-CG1 3.4Å; F70-I74 PolarHBondContact O-N 3.33Å; N71-I74 PolarHBondContact O-N 3.39Å; I74-T76 PolarHBondContact O-N 3.1Å; I74-G77 PolarHBondContact O-N 3.22Å; I74-G78 PolarHBondContact O-N 3.03Å |
| 75 | A | 95.6 | Very high | 93.5 | Very high | 39 Ų | 39 | 64.9 Ų | 64.9 | 32% | 0.322 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L29 N71 C72 W73 G77 G78 Y79 | L29-A75 HydrophobicContact CD1-CB 4.22Å; N71-A75 WeakPolarHBondContact O-CB 3.12Å; N71-A75 PolarHBondContact O-N 3.28Å; C72-A75 PolarHBondContact O-N 2.93Å; W73-A75 VanDerWaalsContact C-N 3.34Å; A75-G77 VanDerWaalsContact C-N 3.3Å; A75-G77 PolarHBondContact O-N 3.37Å; A75-G78 WeakPolarHBondContact O-CA 3.3Å; A75-G78 PolarHBondContact O-N 3.17Å; A75-G78 VanDerWaalsContact O-N 3.09Å; A75-Y79 WeakPolarHBondContact O-CD2 3.32Å; A75-Y79 PolarHBondContact O-N 3.42Å |
| 76 | T | 97.1 | Very high | 93.2 | Very high | 10 Ų | 10 | 64.5 Ų | 64.5 | 6% | 0.061 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -56 | -46.1 | 174.1 | -56.1 | 0 | 0 | 0 | 0 | 110.9 | T26 L29 A30 C72 W73 I74 G78 Y79 V80 | T26-T76 HydrophobicContact CG2-CG2 4.15Å; L29-T76 VanDerWaalsContact CB-OG1 3.31Å; L29-T76 WeakPolarHBondContact CB-OG1 3.35Å; A30-T76 HydrophobicContact CB-CG2 4.02Å; C72-T76 WeakPolarHBondContact O-CB 3.16Å; C72-T76 PolarHBondContact O-N 3.19Å; C72-T76 PolarHBondContact O-OG1 3.29Å; W73-T76 WeakPolarHBondContact O-CB 3.36Å; W73-T76 PolarHBondContact O-N 3.43Å; I74-T76 PolarHBondContact O-N 3.1Å; T76-G78 VanDerWaalsContact C-N 3.34Å; T76-G78 PolarHBondContact O-N 2.94Å; T76-Y79 PolarHBondContact O-N 3.45Å; T76-V80 WeakPolarHBondContact O-CG2 3.22Å; T76-V80 PolarHBondContact O-N 3.12Å |
| 77 | G | 96.4 | Very high | 92.9 | Very high | 37 Ų | 37 | 65.1 Ų | 65.1 | 38% | 0.381 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -57.9 | -43.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | W73 I74 A75 V80 V81 | W73-G77 PolarHBondContact O-N 3.47Å; I74-G77 PolarHBondContact O-N 3.22Å; A75-G77 VanDerWaalsContact C-N 3.3Å; A75-G77 PolarHBondContact O-N 3.37Å; G77-V80 PolarHBondContact O-N 3.31Å; G77-V81 WeakPolarHBondContact O-CG2 3.44Å; G77-V81 PolarHBondContact O-N 3.28Å |
| 78 | G | 95.5 | Very high | 92.6 | Very high | 37 Ų | 37 | 69.6 Ų | 69.6 | 38% | 0.381 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.5 | -45.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I74 A75 T76 V80 V81 T82 | I74-G78 PolarHBondContact O-N 3.03Å; A75-G78 WeakPolarHBondContact O-CA 3.3Å; A75-G78 PolarHBondContact O-N 3.17Å; A75-G78 VanDerWaalsContact O-N 3.09Å; T76-G78 VanDerWaalsContact C-N 3.34Å; T76-G78 PolarHBondContact O-N 2.94Å; G78-V80 PolarHBondContact O-N 3.43Å; G78-V81 PolarHBondContact O-N 3.35Å; G78-T82 WeakPolarHBondContact O-CG2 3.24Å; G78-T82 PolarHBondContact O-N 2.94Å |
| 79 | Y | 94.6 | Very high | 92.1 | Very high | 101 Ų | 101 | 71.4 Ų | 71.4 | 40% | 0.396 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 176.4 | -90.7 | -108.6 | 0 | 0 | 0 | 112.1 | T26 L29 A75 T76 V81 T82 M83 | T26-Y79 WeakPolarHBondContact OG1-CB 3.39Å; L29-Y79 HydrophobicContact CD1-CD2 3.64Å; L29-Y79 HydrophobicContact CD1-CE2 3.68Å; L29-Y79 HydrophobicContact CD1-CG 4.11Å; A75-Y79 WeakPolarHBondContact O-CD2 3.32Å; A75-Y79 PolarHBondContact O-N 3.42Å; T76-Y79 PolarHBondContact O-N 3.45Å; Y79-V81 VanDerWaalsContact C-N 3.34Å; Y79-V81 PolarHBondContact O-N 3.16Å; Y79-T82 WeakPolarHBondContact CA-OG1 3.45Å; Y79-T82 PolarHBondContact O-N 3.5Å; Y79-T82 PolarHBondContact O-OG1 3.41Å; Y79-M83 WeakPolarHBondContact O-CB 3.33Å; Y79-M83 PolarHBondContact O-N 2.88Å |
| 80 | V | 95.8 | Very high | 91.3 | Very high | 53 Ų | 53 | 72.1 Ų | 72.1 | 32% | 0.321 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -58 | -45.6 | 174.2 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | T26 T76 G77 G78 T82 M83 I84 | T26-V80 HydrophobicContact CG2-CG2 3.6Å; T76-V80 WeakPolarHBondContact O-CG2 3.22Å; T76-V80 PolarHBondContact O-N 3.12Å; G77-V80 PolarHBondContact O-N 3.31Å; G78-V80 PolarHBondContact O-N 3.43Å; V80-T82 PolarHBondContact O-N 3.45Å; V80-M83 WeakPolarHBondContact O-CB 3.2Å; V80-M83 PolarHBondContact O-N 3.45Å; V80-I84 HydrophobicContact CG1-CD1 4.1Å; V80-I84 WeakPolarHBondContact O-CG1 3.37Å; V80-I84 PolarHBondContact O-N 3.49Å |
| 81 | V | 95.2 | Very high | 90.5 | Very high | 82 Ų | 82 | 73.8 Ų | 73.8 | 50% | 0.497 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.9 | -46.4 | 177.5 | 173 | 0 | 0 | 0 | 0 | 111.1 | G77 G78 Y79 M83 I84 I85 | G77-V81 WeakPolarHBondContact O-CG2 3.44Å; G77-V81 PolarHBondContact O-N 3.28Å; G78-V81 PolarHBondContact O-N 3.35Å; Y79-V81 VanDerWaalsContact C-N 3.34Å; Y79-V81 PolarHBondContact O-N 3.16Å; V81-M83 VanDerWaalsContact C-N 3.27Å; V81-M83 PolarHBondContact O-N 3.45Å; V81-I84 PolarHBondContact O-N 2.9Å; V81-I85 HydrophobicContact CG1-CD1 4.07Å; V81-I85 WeakPolarHBondContact O-CG1 3.34Å; V81-I85 PolarHBondContact O-N 3.08Å |
| 82 | T | 90.1 | Very high | 89.4 | Confident | 79 Ų | 79 | 76.6 Ų | 76.6 | 49% | 0.485 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.8 | -35.2 | 177.6 | 63.6 | 0 | 0 | 0 | 0 | 112.4 | G78 Y79 V80 I85 A86 | G78-T82 WeakPolarHBondContact O-CG2 3.24Å; G78-T82 PolarHBondContact O-N 2.94Å; Y79-T82 WeakPolarHBondContact CA-OG1 3.45Å; Y79-T82 PolarHBondContact O-N 3.5Å; Y79-T82 PolarHBondContact O-OG1 3.41Å; V80-T82 PolarHBondContact O-N 3.45Å; T82-I85 PolarHBondContact O-N 3.17Å; T82-A86 WeakPolarHBondContact O-CB 3.5Å; T82-A86 PolarHBondContact O-N 3.18Å |
| 83 | M | 89.4 | Confident | 88.2 | Confident | 64 Ų | 64 | 77.6 Ų | 77.6 | 32% | 0.315 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.4 | -40.9 | 176.4 | -171.8 | -174.9 | 68.3 | 0 | 0 | 111.8 | A23 Y79 V80 V81 I85 A86 F87 | A23-M83 HydrophobicContact CB-SD 4.2Å; Y79-M83 WeakPolarHBondContact O-CB 3.33Å; Y79-M83 PolarHBondContact O-N 2.88Å; V80-M83 WeakPolarHBondContact O-CB 3.2Å; V80-M83 PolarHBondContact O-N 3.45Å; V81-M83 VanDerWaalsContact C-N 3.27Å; V81-M83 PolarHBondContact O-N 3.45Å; M83-I85 VanDerWaalsContact C-N 3.34Å; M83-I85 PolarHBondContact O-N 3.21Å; M83-A86 PolarHBondContact O-N 2.99Å; M83-F87 WeakPolarHBondContact O-CB 3.43Å; M83-F87 PolarHBondContact O-N 3.49Å |
| 84 | I | 90.7 | Very high | 86.7 | Confident | 79 Ų | 79 | 74.6 Ų | 74.6 | 41% | 0.405 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 174.6 | -66.7 | 170.4 | 0 | 0 | 0 | 110.3 | V80 V81 F87 W88 | V80-I84 HydrophobicContact CG1-CD1 4.1Å; V80-I84 WeakPolarHBondContact O-CG1 3.37Å; V80-I84 PolarHBondContact O-N 3.49Å; V81-I84 PolarHBondContact O-N 2.9Å; I84-F87 PolarHBondContact O-N 3.19Å; I84-W88 HydrophobicContact CG2-CD2 4.22Å; I84-W88 HydrophobicContact CG2-CE3 4.28Å; I84-W88 HydrophobicContact CG2-CH2 4.26Å; I84-W88 HydrophobicContact CG2-CZ2 4.19Å; I84-W88 HydrophobicContact CG2-CZ3 4.3Å; I84-W88 PolarHBondContact O-N 3.41Å |
| 85 | I | 87.3 | Confident | 84.8 | Confident | 77 Ų | 77 | 76 Ų | 76 | 40% | 0.395 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 177.5 | -65.8 | 169.5 | 0 | 0 | 0 | 110.6 | V81 T82 M83 F87 W88 Q89 | V81-I85 HydrophobicContact CG1-CD1 4.07Å; V81-I85 WeakPolarHBondContact O-CG1 3.34Å; V81-I85 PolarHBondContact O-N 3.08Å; T82-I85 PolarHBondContact O-N 3.17Å; M83-I85 VanDerWaalsContact C-N 3.34Å; M83-I85 PolarHBondContact O-N 3.21Å; I85-F87 VanDerWaalsContact C-N 3.31Å; I85-F87 PolarHBondContact O-N 3.02Å; I85-W88 PolarHBondContact O-N 3.19Å; I85-Q89 HydrophobicContact CG2-CG 4.37Å; I85-Q89 VanDerWaalsContact O-CG 3.31Å; I85-Q89 WeakPolarHBondContact O-CG 3.5Å; I85-Q89 PolarHBondContact O-N 3.12Å |
| 86 | A | 85.7 | Confident | 82.7 | Confident | 8 Ų | 8 | 80.7 Ų | 80.7 | 7% | 0.066 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.4 | -35.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | M19 T82 M83 Q89 T90 | M19-A86 HydrophobicContact CG-CB 3.72Å; T82-A86 WeakPolarHBondContact O-CB 3.5Å; T82-A86 PolarHBondContact O-N 3.18Å; M83-A86 PolarHBondContact O-N 2.99Å; A86-Q89 PolarHBondContact O-N 3.34Å; A86-T90 WeakPolarHBondContact O-CB 3.29Å; A86-T90 PolarHBondContact O-N 3.03Å; A86-T90 PolarHBondContact O-OG1 2.88Å |
| 87 | F | 85.1 | Confident | 80.5 | Confident | 119 Ų | 119 | 86.2 Ų | 86.2 | 52% | 0.522 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.8 | -45.2 | 173.9 | -178.7 | -99.8 | 0 | 0 | 0 | 111.7 | M19 M83 I84 I85 T90 K91 | M19-F87 HydrophobicContact CE-CD2 4Å; M83-F87 WeakPolarHBondContact O-CB 3.43Å; M83-F87 PolarHBondContact O-N 3.49Å; I84-F87 PolarHBondContact O-N 3.19Å; I85-F87 VanDerWaalsContact C-N 3.31Å; I85-F87 PolarHBondContact O-N 3.02Å; F87-T90 PolarHBondContact O-N 2.91Å; F87-K91 WeakPolarHBondContact O-CB 3.48Å; F87-K91 PolarHBondContact O-N 3.38Å |
| 88 | W | 84.6 | Confident | 78.1 | Confident | 155 Ų | 155 | 94.8 Ų | 94.8 | 59% | 0.587 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -60 | -45.5 | 172.5 | -77.6 | -18.3 | 0 | 0 | 0 | 111.7 | I84 I85 T90 K91 W92 | I84-W88 HydrophobicContact CG2-CD2 4.22Å; I84-W88 HydrophobicContact CG2-CE3 4.28Å; I84-W88 HydrophobicContact CG2-CH2 4.26Å; I84-W88 HydrophobicContact CG2-CZ2 4.19Å; I84-W88 HydrophobicContact CG2-CZ3 4.3Å; I84-W88 PolarHBondContact O-N 3.41Å; I85-W88 PolarHBondContact O-N 3.19Å; W88-T90 VanDerWaalsContact C-N 3.34Å; W88-T90 PolarHBondContact O-N 3.12Å; W88-K91 PolarHBondContact O-N 3.36Å; W88-W92 PolarHBondContact O-N 3.17Å |
| 89 | Q | 80.3 | Confident | 77.2 | Confident | 60 Ų | 60 | 97.7 Ų | 97.7 | 28% | 0.28 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.8 | -44.7 | 177.2 | -73.4 | 174.5 | 1.1 | 0 | 0 | 111.9 | I85 A86 K91 W92 N93 | I85-Q89 HydrophobicContact CG2-CG 4.37Å; I85-Q89 VanDerWaalsContact O-CG 3.31Å; I85-Q89 WeakPolarHBondContact O-CG 3.5Å; I85-Q89 PolarHBondContact O-N 3.12Å; A86-Q89 PolarHBondContact O-N 3.34Å; Q89-K91 PolarHBondContact O-N 3.12Å; Q89-W92 PolarHBondContact O-N 3.27Å; Q89-N93 WeakPolarHBondContact O-CB 3.21Å; Q89-N93 PolarHBondContact O-N 3.08Å |
| 90 | T | 77.5 | Confident | 76.3 | Confident | 21 Ų | 21 | 97.5 Ų | 97.5 | 13% | 0.129 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -64.9 | -40.9 | 178.6 | -56.7 | 0 | 0 | 0 | 0 | 111.8 | S15 M19 A86 F87 W88 W92 N93 N94 | S15-T90 PolarHBondContact OG-OG1 3.45Å; M19-T90 HydrophobicContact SD-CG2 4.15Å; M19-T90 PolarHBondContact SD-OG1 2.9Å; A86-T90 WeakPolarHBondContact O-CB 3.29Å; A86-T90 PolarHBondContact O-N 3.03Å; A86-T90 PolarHBondContact O-OG1 2.88Å; F87-T90 PolarHBondContact O-N 2.91Å; W88-T90 VanDerWaalsContact C-N 3.34Å; W88-T90 PolarHBondContact O-N 3.12Å; T90-W92 PolarHBondContact O-N 3.21Å; T90-N93 PolarHBondContact O-N 3.21Å; T90-N94 WeakPolarHBondContact O-CB 3.33Å; T90-N94 PolarHBondContact O-N 2.91Å; T90-N94 PolarHBondContact O-OD1 3.21Å |
| 91 | K | 77 | Confident | 75.2 | Confident | 141 Ų | 141 | 100 Ų | 100 | 61% | 0.613 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.6 | -43.9 | 177.2 | -173.1 | -179.4 | -178.7 | -178.8 | 0 | 112 | F87 W88 Q89 H95 | F87-K91 WeakPolarHBondContact O-CB 3.48Å; F87-K91 PolarHBondContact O-N 3.38Å; W88-K91 PolarHBondContact O-N 3.36Å; Q89-K91 PolarHBondContact O-N 3.12Å; K91-H95 PolarHBondContact O-N 2.65Å |
| 92 | W | 71.1 | Confident | 74.1 | Confident | 160 Ų | 160 | 101.1 Ų | 101.1 | 61% | 0.606 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -73 | -37.1 | -180 | -72.4 | 53 | 0 | 0 | 0 | 111.8 | L3 W88 Q89 T90 H95 | L3-W92 HydrophobicContact CB-CZ3 4.28Å; L3-W92 HydrophobicContact CD2-CH2 3.97Å; L3-W92 HydrophobicContact CD2-CZ3 4.2Å; W88-W92 PolarHBondContact O-N 3.17Å; Q89-W92 PolarHBondContact O-N 3.27Å; T90-W92 PolarHBondContact O-N 3.21Å; W92-H95 PolarHBondContact O-N 2.65Å |
| 93 | N | 70.6 | Confident | 73.1 | Confident | 36 Ų | 36 | 102.4 Ų | 102.4 | 19% | 0.193 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -65.8 | -40.5 | 176.4 | 179.6 | 85.1 | 0 | 0 | 0 | 112 | P12 Q89 T90 H95 L96 | P12-N93 WeakPolarHBondContact CB-ND2 2.91Å; Q89-N93 WeakPolarHBondContact O-CB 3.21Å; Q89-N93 PolarHBondContact O-N 3.08Å; T90-N93 PolarHBondContact O-N 3.21Å; N93-H95 VanDerWaalsContact C-N 3.34Å; N93-L96 PolarHBondContact O-N 2.91Å |
| 94 | N | 64.9 | Low | 72 | Confident | 87 Ų | 87 | 105 Ų | 105 | 47% | 0.465 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.7 | -30 | 178.6 | -69.9 | 2.1 | 0 | 0 | 0 | 112.5 | T90 L96 L97 | T90-N94 WeakPolarHBondContact O-CB 3.33Å; T90-N94 PolarHBondContact O-N 2.91Å; T90-N94 PolarHBondContact O-OD1 3.21Å; N94-L96 PolarHBondContact O-N 3.39Å; N94-L97 PolarHBondContact O-N 3.4Å; N94-L97 VanDerWaalsContact O-N 3.15Å |
| 95 | H | 57.1 | Low | 70.6 | Confident | 152 Ų | 152 | 106.9 Ų | 106.9 | 70% | 0.704 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -16.6 | 174.2 | -170.6 | -71.6 | 0 | 0 | 0 | 112.9 | K91 W92 N93 | K91-H95 PolarHBondContact O-N 2.65Å; W92-H95 PolarHBondContact O-N 2.65Å; N93-H95 VanDerWaalsContact C-N 3.34Å |
| 96 | L | 51.5 | Low | 69.3 | Low | 136 Ų | 136 | 109.2 Ų | 109.2 | 71% | 0.712 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -9.9 | 176 | -117.1 | 75.8 | 0 | 0 | 0 | 114 | N93 N94 | N93-L96 PolarHBondContact O-N 2.91Å; N94-L96 PolarHBondContact O-N 3.39Å |
| 97 | L | 50.6 | Low | 68 | Low | 127 Ų | 127 | 117.6 Ų | 117.6 | 67% | 0.665 | 55% | 0.551 | S | S | * | * | trans | -97.4 | -5.6 | -178.5 | -75.5 | 175.7 | 0 | 0 | 0 | 114 | N94 | N94-L97 PolarHBondContact O-N 3.4Å; N94-L97 VanDerWaalsContact O-N 3.15Å | ||
| 98 | L | 45.6 | Very low | 66.4 | Low | 217 Ų | 217 | 117.5 Ų | 117.5 | 100% | 1.136 | 55% | 0.554 | S | S | * | * | trans | -106.5 | 0 | 168.8 | -77.3 | 170.3 | 0 | 0 | 0 | 109.6 |
Retrieved 98 of 98 residues in 75.6 ms
(Link to these results)