| 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 | 42 | Very low | 56 | Low | 249 Ų | 249 | 122.7 Ų | 122.7 | 100% | 1.227 | 77% | 0.772 | S | S | * | * | 0 | 93.9 | 0 | -74.5 | 178.7 | 152.1 | 0 | 0 | 107.6 | |||||
| 2 | A | 40.7 | Very low | 57.3 | Low | 99 Ų | 99 | 118.8 Ų | 118.8 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | -94.6 | 115 | 179.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | V4 | A2-V4 PolarHBondContact O-N 3.02Š| ||
| 3 | G | 47.9 | Very low | 58.6 | Low | 81 Ų | 81 | 112 Ų | 112 | 84% | 0.835 | 71% | 0.71 | S | S | * | * | trans | -69.1 | 114.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | A5 | G3-A5 PolarHBondContact O-N 2.74Š| ||
| 4 | V | 49.3 | Very low | 60 | Low | 139 Ų | 139 | 111.1 Ų | 111.1 | 84% | 0.842 | 70% | 0.697 | S | S | * | * | trans | -74.8 | 102.3 | 172.3 | 176.4 | 0 | 0 | 0 | 0 | 107.5 | A2 | A2-V4 PolarHBondContact O-N 3.02Š| ||
| 5 | A | 57.6 | Low | 61.5 | Low | 84 Ų | 84 | 111.1 Ų | 111.1 | 69% | 0.694 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -74 | 131 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109 | G3 | G3-A5 PolarHBondContact O-N 2.74Š|
| 6 | P | 63.3 | Low | 62.8 | Low | 112 Ų | 112 | 111.1 Ų | 111.1 | 73% | 0.727 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -69 | 141.2 | 175.8 | 27.6 | -32.2 | 0 | 0 | 0 | 110.2 | ||
| 7 | P | 63.2 | Low | 64.2 | Low | 111 Ų | 111 | 114 Ų | 114 | 72% | 0.721 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 150.1 | 178.3 | 27.2 | -33.8 | 0 | 0 | 0 | 110.8 | A9 | P7-A9 PolarHBondContact O-N 3.29Š|
| 8 | P | 58.7 | Low | 65.3 | Low | 129 Ų | 129 | 112.1 Ų | 112.1 | 84% | 0.838 | 67% | 0.673 | S | S | * | * | trans | -63.8 | 104.9 | 175.7 | 27 | -32.8 | 0 | 0 | 0 | 108.5 | S10 | P8-S10 PolarHBondContact O-N 3.05Š| ||
| 9 | A | 60.1 | Low | 66.3 | Low | 59 Ų | 59 | 112.1 Ų | 112.1 | 49% | 0.488 | 67% | 0.668 | S | S | . | * | trans | -58.9 | 116.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | P7 R11 L14 | P7-A9 PolarHBondContact O-N 3.29Å; A9-R11 PolarHBondContact O-N 2.72Å; A9-L14 HydrophobicContact CB-CD1 4.43Å; A9-L14 HydrophobicContact CB-CD2 4.1Å; A9-L14 HydrophobicContact CB-CG 3.92Å | ||
| 10 | S | 68.4 | Low | 67.2 | Low | 69 Ų | 69 | 112.3 Ų | 112.3 | 48% | 0.483 | 66% | 0.664 | S | S | . | * | trans | -56.3 | 137.7 | 174.9 | 57.9 | 0 | 0 | 0 | 0 | 108.1 | P8 A13 L14 | P8-S10 PolarHBondContact O-N 3.05Å; S10-A13 WeakPolarHBondContact O-CA 3.34Å; S10-A13 VanDerWaalsContact O-CB 3.28Å; S10-A13 WeakPolarHBondContact O-CB 3.06Å; S10-A13 PolarHBondContact O-N 2.94Å; S10-L14 PolarHBondContact O-N 3.09Å | ||
| 11 | R | 64.8 | Low | 67.8 | Low | 218 Ų | 218 | 109.4 Ų | 109.4 | 82% | 0.823 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -42.8 | -38.9 | 177.4 | -65.6 | -179.6 | 177.1 | -175.6 | -1.6 | 114.4 | A9 L14 L15 | A9-R11 PolarHBondContact O-N 2.72Å; R11-L14 PolarHBondContact O-N 3.24Å; R11-L15 WeakPolarHBondContact O-CG 3.19Å; R11-L15 PolarHBondContact O-N 2.93Å |
| 12 | P | 71.1 | Confident | 69.5 | Low | 76 Ų | 76 | 103.8 Ų | 103.8 | 49% | 0.494 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -67 | -31.7 | 173.4 | 26 | -36.9 | 0 | 0 | 0 | 114.3 | L15 L16 | P12-L15 PolarHBondContact O-N 2.76Å; P12-L16 WeakPolarHBondContact O-CB 3.42Å; P12-L16 WeakPolarHBondContact O-CG 3.28Å; P12-L16 PolarHBondContact O-N 2.84Å |
| 13 | A | 74.9 | Confident | 71.2 | Confident | 30 Ų | 30 | 102.6 Ų | 102.6 | 25% | 0.248 | 61% | 0.607 | C | S | . | * | H | α-helix | trans | -68.3 | -38.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S10 L16 F17 | S10-A13 WeakPolarHBondContact O-CA 3.34Å; S10-A13 VanDerWaalsContact O-CB 3.28Å; S10-A13 WeakPolarHBondContact O-CB 3.06Å; S10-A13 PolarHBondContact O-N 2.94Å; A13-L16 PolarHBondContact O-N 2.8Å; A13-F17 WeakPolarHBondContact O-CB 3.41Å; A13-F17 WeakPolarHBondContact O-CD2 3.34Å; A13-F17 PolarHBondContact O-N 3.34Å |
| 14 | L | 78.3 | Confident | 72.2 | Confident | 100 Ų | 100 | 104.2 Ų | 104.2 | 52% | 0.524 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.2 | -42.4 | 173.3 | -73.2 | 170.3 | 0 | 0 | 0 | 111.5 | A9 S10 R11 F17 T18 | A9-L14 HydrophobicContact CB-CD1 4.43Å; A9-L14 HydrophobicContact CB-CD2 4.1Å; A9-L14 HydrophobicContact CB-CG 3.92Å; S10-L14 PolarHBondContact O-N 3.09Å; R11-L14 PolarHBondContact O-N 3.24Å; L14-F17 PolarHBondContact O-N 2.92Å; L14-T18 WeakPolarHBondContact O-CG2 3.32Å; L14-T18 PolarHBondContact O-N 2.87Å; L14-T18 PolarHBondContact O-OG1 2.74Å |
| 15 | L | 81.7 | Confident | 73.1 | Confident | 110 Ų | 110 | 102.8 Ų | 102.8 | 58% | 0.576 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.1 | -39.1 | 175.3 | -68.5 | 174.1 | 0 | 0 | 0 | 112.4 | R11 P12 T18 L19 | R11-L15 WeakPolarHBondContact O-CG 3.19Å; R11-L15 PolarHBondContact O-N 2.93Å; P12-L15 PolarHBondContact O-N 2.76Å; L15-T18 WeakPolarHBondContact CA-OG1 3.37Å; L15-T18 PolarHBondContact O-N 2.78Å; L15-T18 PolarHBondContact O-OG1 2.78Å; L15-L19 WeakPolarHBondContact O-CB 3.39Å; L15-L19 VanDerWaalsContact O-CG 3.25Å; L15-L19 WeakPolarHBondContact O-CG 3.32Å; L15-L19 PolarHBondContact O-N 3.5Å |
| 16 | L | 83.4 | Confident | 73.3 | Confident | 111 Ų | 111 | 103 Ų | 103 | 58% | 0.581 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64.4 | -42.5 | 173.9 | -79.3 | 165.9 | 0 | 0 | 0 | 111.4 | P12 A13 L19 M20 | P12-L16 WeakPolarHBondContact O-CB 3.42Å; P12-L16 WeakPolarHBondContact O-CG 3.28Å; P12-L16 PolarHBondContact O-N 2.84Å; A13-L16 PolarHBondContact O-N 2.8Å; L16-L19 PolarHBondContact O-N 3.13Å; L16-M20 WeakPolarHBondContact O-CB 3.34Å; L16-M20 WeakPolarHBondContact O-CG 3.27Å; L16-M20 PolarHBondContact O-N 3.46Å |
| 17 | F | 85.3 | Confident | 73 | Confident | 161 Ų | 161 | 101.5 Ų | 101.5 | 71% | 0.706 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.4 | -40.8 | 176.6 | -99 | -79 | 0 | 0 | 0 | 112.6 | A13 L14 M20 A21 | A13-F17 WeakPolarHBondContact O-CB 3.41Å; A13-F17 WeakPolarHBondContact O-CD2 3.34Å; A13-F17 PolarHBondContact O-N 3.34Å; L14-F17 PolarHBondContact O-N 2.92Å; F17-M20 PolarHBondContact O-N 3.36Å; F17-A21 WeakPolarHBondContact O-CB 3.42Å; F17-A21 PolarHBondContact O-N 2.85Å |
| 18 | T | 84.4 | Confident | 72.5 | Confident | 79 Ų | 79 | 101 Ų | 101 | 49% | 0.485 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -68.4 | -40.5 | 177.3 | 56.1 | 0 | 0 | 0 | 0 | 111.7 | L14 L15 A21 M22 | L14-T18 WeakPolarHBondContact O-CG2 3.32Å; L14-T18 PolarHBondContact O-N 2.87Å; L14-T18 PolarHBondContact O-OG1 2.74Å; L15-T18 WeakPolarHBondContact CA-OG1 3.37Å; L15-T18 PolarHBondContact O-N 2.78Å; L15-T18 PolarHBondContact O-OG1 2.78Å; T18-A21 PolarHBondContact O-N 3.07Å; T18-M22 VanDerWaalsContact O-CG 3.32Å; T18-M22 WeakPolarHBondContact O-CG 3.48Å; T18-M22 PolarHBondContact O-N 3.42Å |
| 19 | L | 84.8 | Confident | 72.2 | Confident | 112 Ų | 112 | 104 Ų | 104 | 59% | 0.586 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.5 | -44.6 | 174.1 | -74.8 | 170.6 | 0 | 0 | 0 | 111.6 | L15 L16 A21 M22 T23 | L15-L19 WeakPolarHBondContact O-CB 3.39Å; L15-L19 VanDerWaalsContact O-CG 3.25Å; L15-L19 WeakPolarHBondContact O-CG 3.32Å; L15-L19 PolarHBondContact O-N 3.5Å; L16-L19 PolarHBondContact O-N 3.13Å; L19-A21 VanDerWaalsContact C-N 3.34Å; L19-A21 PolarHBondContact O-N 3.18Å; L19-M22 PolarHBondContact O-N 3.25Å; L19-T23 WeakPolarHBondContact O-CG2 3.38Å; L19-T23 PolarHBondContact O-N 3.04Å; L19-T23 PolarHBondContact O-OG1 3.3Å |
| 20 | M | 83.7 | Confident | 71.7 | Confident | 117 Ų | 117 | 106.6 Ų | 106.6 | 58% | 0.576 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.6 | -37.3 | 176.9 | -71 | -67.5 | -76.1 | 0 | 0 | 112.3 | L16 F17 T23 L24 | L16-M20 WeakPolarHBondContact O-CB 3.34Å; L16-M20 WeakPolarHBondContact O-CG 3.27Å; L16-M20 PolarHBondContact O-N 3.46Å; F17-M20 PolarHBondContact O-N 3.36Å; M20-T23 WeakPolarHBondContact CA-OG1 3.43Å; M20-T23 PolarHBondContact O-OG1 2.91Å; M20-L24 WeakPolarHBondContact O-CB 3.39Å; M20-L24 WeakPolarHBondContact O-CD1 3.47Å; M20-L24 VanDerWaalsContact O-CG 3.29Å; M20-L24 WeakPolarHBondContact O-CG 3.18Å; M20-L24 PolarHBondContact O-N 3.08Å |
| 21 | A | 79.8 | Confident | 70.7 | Confident | 51 Ų | 51 | 110.7 Ų | 110.7 | 42% | 0.421 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.5 | -41.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F17 T18 L19 L24 V25 | F17-A21 WeakPolarHBondContact O-CB 3.42Å; F17-A21 PolarHBondContact O-N 2.85Å; T18-A21 PolarHBondContact O-N 3.07Å; L19-A21 VanDerWaalsContact C-N 3.34Å; L19-A21 PolarHBondContact O-N 3.18Å; A21-L24 PolarHBondContact O-N 3.06Å; A21-V25 VanDerWaalsContact O-CG2 3.3Å; A21-V25 WeakPolarHBondContact O-CG2 3.49Å; A21-V25 PolarHBondContact O-N 3.09Å; A21-V25 VanDerWaalsContact O-N 3.08Å |
| 22 | M | 79.1 | Confident | 69.6 | Low | 132 Ų | 132 | 106 Ų | 106 | 65% | 0.65 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.9 | -38.1 | 177.5 | -70 | -62.9 | 176.6 | 0 | 0 | 112.6 | T18 L19 T26 | T18-M22 VanDerWaalsContact O-CG 3.32Å; T18-M22 WeakPolarHBondContact O-CG 3.48Å; T18-M22 PolarHBondContact O-N 3.42Å; L19-M22 PolarHBondContact O-N 3.25Å; M22-T26 WeakPolarHBondContact O-CG2 3.45Å; M22-T26 PolarHBondContact O-N 2.94Å; M22-T26 VanDerWaalsContact O-N 3.11Å; M22-T26 PolarHBondContact O-OG1 3.44Å |
| 23 | T | 75 | Confident | 68.6 | Low | 74 Ų | 74 | 112.2 Ų | 112.2 | 45% | 0.454 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68.3 | -36.5 | 174.3 | 56.9 | 0 | 0 | 0 | 0 | 111.9 | L19 M20 T26 S27 | L19-T23 WeakPolarHBondContact O-CG2 3.38Å; L19-T23 PolarHBondContact O-N 3.04Å; L19-T23 PolarHBondContact O-OG1 3.3Å; M20-T23 WeakPolarHBondContact CA-OG1 3.43Å; M20-T23 PolarHBondContact O-OG1 2.91Å; T23-T26 WeakPolarHBondContact CA-OG1 3.35Å; T23-T26 CarbonylContact O-C 3.6Å; T23-T26 PolarHBondContact O-N 3.46Å; T23-T26 PolarHBondContact O-OG1 3.2Å; T23-S27 WeakPolarHBondContact O-CB 3.18Å; T23-S27 PolarHBondContact O-N 2.91Å |
| 24 | L | 69.1 | Low | 67.4 | Low | 114 Ų | 114 | 118.9 Ų | 118.9 | 60% | 0.597 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -63.8 | -44.9 | 175.6 | -79.6 | 158.7 | 0 | 0 | 0 | 112 | M20 A21 T26 S27 | M20-L24 WeakPolarHBondContact O-CB 3.39Å; M20-L24 WeakPolarHBondContact O-CD1 3.47Å; M20-L24 VanDerWaalsContact O-CG 3.29Å; M20-L24 WeakPolarHBondContact O-CG 3.18Å; M20-L24 PolarHBondContact O-N 3.08Å; A21-L24 PolarHBondContact O-N 3.06Å; L24-T26 VanDerWaalsContact C-N 3.27Å; L24-T26 PolarHBondContact O-N 2.93Å; L24-S27 PolarHBondContact O-N 3.42Å; L24-S27 PolarHBondContact O-OG 3.47Å |
| 25 | V | 68.9 | Low | 66 | Low | 109 Ų | 109 | 124.8 Ų | 124.8 | 66% | 0.661 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -67.1 | -27.2 | 178.3 | 174.2 | 0 | 0 | 0 | 0 | 112.3 | A21 S28 | A21-V25 VanDerWaalsContact O-CG2 3.3Å; A21-V25 WeakPolarHBondContact O-CG2 3.49Å; A21-V25 PolarHBondContact O-N 3.09Å; A21-V25 VanDerWaalsContact O-N 3.08Å; V25-S28 PolarHBondContact O-OG 2.88Å |
| 26 | T | 61.6 | Low | 64.4 | Low | 90 Ų | 90 | 125.4 Ų | 125.4 | 55% | 0.552 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -93.2 | -15 | 175.7 | 53.5 | 0 | 0 | 0 | 0 | 113.6 | M22 T23 L24 S28 Y29 | M22-T26 WeakPolarHBondContact O-CG2 3.45Å; M22-T26 PolarHBondContact O-N 2.94Å; M22-T26 VanDerWaalsContact O-N 3.11Å; M22-T26 PolarHBondContact O-OG1 3.44Å; T23-T26 WeakPolarHBondContact CA-OG1 3.35Å; T23-T26 CarbonylContact O-C 3.6Å; T23-T26 PolarHBondContact O-N 3.46Å; T23-T26 PolarHBondContact O-OG1 3.2Å; L24-T26 VanDerWaalsContact C-N 3.27Å; L24-T26 PolarHBondContact O-N 2.93Å; T26-S28 VanDerWaalsContact C-N 3.26Å; T26-S28 PolarHBondContact O-N 3.26Å; T26-Y29 WeakPolarHBondContact O-CD2 3.45Å |
| 27 | S | 56.4 | Low | 62.5 | Low | 80 Ų | 80 | 127.8 Ų | 127.8 | 56% | 0.559 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -7.2 | 179.4 | 76.5 | 0 | 0 | 0 | 0 | 114.5 | T23 L24 Y29 | T23-S27 WeakPolarHBondContact O-CB 3.18Å; T23-S27 PolarHBondContact O-N 2.91Å; L24-S27 PolarHBondContact O-N 3.42Å; L24-S27 PolarHBondContact O-OG 3.47Å; S27-Y29 PolarHBondContact O-N 3.03Å |
| 28 | S | 54 | Low | 60.2 | Low | 99 Ų | 99 | 128.8 Ų | 128.8 | 69% | 0.692 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | 9.9 | 175 | 51.1 | 0 | 0 | 0 | 0 | 114 | V25 T26 | V25-S28 PolarHBondContact O-OG 2.88Å; T26-S28 VanDerWaalsContact C-N 3.26Å; T26-S28 PolarHBondContact O-N 3.26Å |
| 29 | Y | 52.2 | Low | 58.1 | Low | 192 Ų | 192 | 135.7 Ų | 135.7 | 75% | 0.753 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -64.8 | 135.9 | 162.1 | -90.8 | -92.1 | 0 | 0 | 0 | 109.7 | T26 S27 Q31 | T26-Y29 WeakPolarHBondContact O-CD2 3.45Å; S27-Y29 PolarHBondContact O-N 3.03Å; Y29-Q31 PolarHBondContact O-N 3.41Å |
| 30 | P | 48.6 | Very low | 56 | Low | 115 Ų | 115 | 133.4 Ų | 133.4 | 75% | 0.747 | 70% | 0.697 | S | S | * | * | trans | -63.7 | 111.3 | -171.6 | 25.8 | -33 | 0 | 0 | 0 | 109.4 | P32 | P30-P32 VanDerWaalsContact O-CD 3.28Å; P30-P32 WeakPolarHBondContact O-CD 3.33Å; P30-P32 VanDerWaalsContact O-N 3.14Å | ||
| 31 | Q | 46.9 | Very low | 54 | Low | 155 Ų | 155 | 133.7 Ų | 133.7 | 72% | 0.724 | 71% | 0.711 | S | S | * | * | trans | -47.9 | 117.9 | 164 | -118.3 | 174.2 | -24.9 | 0 | 0 | 108.2 | Y29 R33 | Y29-Q31 PolarHBondContact O-N 3.41Å; Q31-R33 PolarHBondContact O-N 3.4Å | ||
| 32 | P | 43.4 | Very low | 51.8 | Low | 118 Ų | 118 | 136.6 Ų | 136.6 | 77% | 0.766 | 73% | 0.728 | S | S | * | * | trans | -71.1 | 86.4 | 169.8 | 27.7 | -29.4 | 0 | 0 | 0 | 106.5 | P30 L34 | P30-P32 VanDerWaalsContact O-CD 3.28Å; P30-P32 WeakPolarHBondContact O-CD 3.33Å; P30-P32 VanDerWaalsContact O-N 3.14Å; P32-L34 VanDerWaalsContact C-N 3.3Å; P32-L34 PolarHBondContact O-N 3.43Å | ||
| 33 | R | 48.5 | Very low | 50.5 | Low | 208 Ų | 208 | 136.1 Ų | 136.1 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | trans | -63.5 | 99.1 | 170.2 | -73.9 | -165.5 | 172.9 | -179.7 | -0.3 | 106.7 | Q31 R35 | Q31-R33 PolarHBondContact O-N 3.4Å; R33-R35 VanDerWaalsContact C-N 3.28Å; R33-R35 PolarHBondContact O-N 2.89Å | ||
| 34 | L | 50.3 | Low | 49.1 | Very low | 169 Ų | 169 | 137.9 Ų | 137.9 | 89% | 0.885 | 75% | 0.75 | S | S | * | * | trans | -55.8 | 95.9 | 164.6 | -67.6 | 168.7 | 0 | 0 | 0 | 107.2 | P32 | P32-L34 VanDerWaalsContact C-N 3.3Å; P32-L34 PolarHBondContact O-N 3.43Å | ||
| 35 | R | 49.8 | Very low | 47.7 | Very low | 224 Ų | 224 | 139.6 Ų | 139.6 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | trans | -72.2 | 131.7 | 167 | -75.7 | -171.5 | 177.4 | -175.2 | 0.5 | 107.1 | R33 I37 | R33-R35 VanDerWaalsContact C-N 3.28Å; R33-R35 PolarHBondContact O-N 2.89Å; R35-I37 PolarHBondContact O-N 2.85Å | ||
| 36 | P | 46.5 | Very low | 46.9 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 81% | 0.805 | 77% | 0.769 | S | S | * | * | trans | -60.9 | 124.9 | 171.7 | -17.9 | 30.3 | 0 | 0 | 0 | 109.1 | H38 | P36-H38 PolarHBondContact O-N 2.96Å; P36-H38 VanDerWaalsContact O-N 3.09Å | ||
| 37 | I | 43.8 | Very low | 46.4 | Very low | 161 Ų | 161 | 138.9 Ų | 138.9 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | trans | -59.7 | 110.6 | 170.5 | -65.4 | 178.3 | 0 | 0 | 0 | 107.4 | R35 R39 | R35-I37 PolarHBondContact O-N 2.85Å; I37-R39 VanDerWaalsContact C-N 3.27Å; I37-R39 PolarHBondContact O-N 3.45Å | ||
| 38 | H | 37.6 | Very low | 45.7 | Very low | 182 Ų | 182 | 142.9 Ų | 142.9 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | -70.8 | 92.5 | 165.7 | -168.5 | -8.3 | 0 | 0 | 0 | 107.5 | P36 G40 | P36-H38 PolarHBondContact O-N 2.96Å; P36-H38 VanDerWaalsContact O-N 3.09Å; H38-G40 PolarHBondContact O-N 2.93Å | ||
| 39 | R | 39.9 | Very low | 45.6 | Very low | 224 Ų | 224 | 143.4 Ų | 143.4 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | trans | -53.9 | 121.7 | 167.1 | 179.2 | -178.2 | -105.1 | -155.3 | -5.5 | 108.3 | I37 | I37-R39 VanDerWaalsContact C-N 3.27Å; I37-R39 PolarHBondContact O-N 3.45Å | ||
| 40 | G | 41.8 | Very low | 45.3 | Very low | 63 Ų | 63 | 140.5 Ų | 140.5 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | trans | -72 | 158.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | H38 | H38-G40 PolarHBondContact O-N 2.93Š| ||
| 41 | S | 40.6 | Very low | 45.3 | Very low | 124 Ų | 124 | 144.5 Ų | 144.5 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | trans | -171.2 | 110.5 | 142.3 | 44.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 42 | S | 33.2 | Very low | 45.3 | Very low | 111 Ų | 111 | 147.1 Ų | 147.1 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | -176.9 | 132.4 | 129.7 | -160.6 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 43 | P | 51.6 | Low | 45.7 | Very low | 123 Ų | 123 | 149.1 Ų | 149.1 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | trans | -104.8 | 108.2 | 179.5 | 34.6 | -21.9 | 0 | 0 | 0 | 111.1 | ||||
| 44 | S | 46.2 | Very low | 46.1 | Very low | 110 Ų | 110 | 147 Ų | 147 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | 173.7 | 97.7 | 154.2 | 47.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 45 | D | 41 | Very low | 46.2 | Very low | 150 Ų | 150 | 149.6 Ų | 149.6 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | trans | -164.1 | 123.7 | 139.8 | -143.2 | -4.5 | 0 | 0 | 0 | 110.5 | ||||
| 46 | P | 51.2 | Low | 46.6 | Very low | 132 Ų | 132 | 146.4 Ų | 146.4 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | trans | -99.1 | 84.8 | 176.8 | 35.6 | -24.6 | 0 | 0 | 0 | 109.4 | ||||
| 47 | G | 51.1 | Low | 47.3 | Very low | 53 Ų | 53 | 144.6 Ų | 144.6 | 55% | 0.546 | 77% | 0.771 | S | S | . | * | trans | 169.9 | 77.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 48 | D | 41.7 | Very low | 48.2 | Very low | 163 Ų | 163 | 144 Ų | 144 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | -173.1 | 128.6 | 119.9 | -102.6 | -25.9 | 0 | 0 | 0 | 111.9 | N50 | D48-N50 PolarHBondContact O-N 3.38Š| |||
| 49 | S | 51.3 | Low | 49.1 | Very low | 111 Ų | 111 | 144.3 Ų | 144.3 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | -59.2 | 99.3 | 165.7 | 48.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 50 | N | 45.9 | Very low | 50.2 | Low | 130 Ų | 130 | 139.2 Ų | 139.2 | 70% | 0.695 | 76% | 0.76 | S | S | * | * | trans | -150.3 | 84.5 | 149.3 | -117.1 | -18.3 | 0 | 0 | 0 | 108.3 | D48 R52 | D48-N50 PolarHBondContact O-N 3.38Å; N50-R52 PolarHBondContact O-N 3.02Å | ||
| 51 | K | 48.7 | Very low | 51.1 | Low | 199 Ų | 199 | 141.4 Ų | 141.4 | 87% | 0.865 | 77% | 0.765 | S | S | * | * | trans | -61.6 | 79.4 | 159.9 | -70.7 | -173.9 | 177.6 | -179.5 | 0 | 107.2 | E53 | K51-E53 VanDerWaalsContact C-N 3.28Å; K51-E53 PolarHBondContact O-N 2.61Å | ||
| 52 | R | 46.2 | Very low | 52.2 | Low | 211 Ų | 211 | 142.6 Ų | 142.6 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | trans | -63.9 | 106.2 | 154.8 | -66.4 | -175.4 | -166.4 | -120.8 | 1.8 | 103.2 | N50 E54 | N50-R52 PolarHBondContact O-N 3.02Å; R52-E54 PolarHBondContact O-N 2.89Å | ||
| 53 | E | 53.1 | Low | 53.6 | Low | 160 Ų | 160 | 139.8 Ų | 139.8 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | trans | -58.7 | 84.7 | 161.7 | -72.6 | 162.4 | 169.8 | 0 | 0 | 105.8 | K51 W55 | K51-E53 VanDerWaalsContact C-N 3.28Å; K51-E53 PolarHBondContact O-N 2.61Å; E53-W55 PolarHBondContact O-N 3.49Å | ||
| 54 | E | 57 | Low | 53.7 | Low | 164 Ų | 164 | 140.8 Ų | 140.8 | 77% | 0.766 | 74% | 0.738 | S | S | * | * | trans | -64.5 | 92.8 | 167.3 | -175.3 | 167.8 | -155.1 | 0 | 0 | 103.8 | R52 E56 | R52-E54 PolarHBondContact O-N 2.89Å; E54-E56 PolarHBondContact O-N 3.38Å | ||
| 55 | W | 51.8 | Low | 54.2 | Low | 223 Ų | 223 | 145.4 Ų | 145.4 | 85% | 0.845 | 74% | 0.739 | S | S | * | * | trans | -54.4 | 99.3 | 167.7 | -70.2 | 93.7 | 0 | 0 | 0 | 105.9 | E53 V57 | E53-W55 PolarHBondContact O-N 3.49Å; W55-V57 HydrophobicContact CB-CG2 4.37Å; W55-V57 PolarHBondContact O-N 3.22Å | ||
| 56 | E | 57.8 | Low | 55 | Low | 156 Ų | 156 | 143.8 Ų | 143.8 | 73% | 0.729 | 73% | 0.73 | S | S | * | * | trans | -64.9 | 85.2 | 167.8 | -73.3 | -174.7 | 176.4 | 0 | 0 | 105.7 | E54 L58 | E54-E56 PolarHBondContact O-N 3.38Å; E56-L58 PolarHBondContact O-N 2.8Å | ||
| 57 | V | 62.7 | Low | 55.4 | Low | 86 Ų | 86 | 145.2 Ų | 145.2 | 52% | 0.521 | 72% | 0.719 | S | S | . | * | trans | -68.6 | 87.5 | 168.5 | -173.7 | 0 | 0 | 0 | 0 | 104.8 | W55 Y59 | W55-V57 HydrophobicContact CB-CG2 4.37Å; W55-V57 PolarHBondContact O-N 3.22Å; V57-Y59 HydrophobicContact CB-CD2 4.15Å; V57-Y59 HydrophobicContact CB-CE2 3.71Å; V57-Y59 HydrophobicContact CG1-CD1 4.28Å; V57-Y59 HydrophobicContact CG1-CD2 3.75Å; V57-Y59 HydrophobicContact CG1-CE1 3.91Å; V57-Y59 HydrophobicContact CG1-CE2 3.33Å; V57-Y59 HydrophobicContact CG1-CG 4.21Å; V57-Y59 VanDerWaalsContact CG1-CZ 3.42Å; V57-Y59 WeakPolarHBondContact O-CD2 3.46Å; V57-Y59 PolarHBondContact O-N 3.17Å | ||
| 58 | L | 62 | Low | 55.4 | Low | 148 Ų | 148 | 146.7 Ų | 146.7 | 78% | 0.775 | 72% | 0.721 | S | S | * | * | trans | -65 | 85.6 | 169.4 | -73.9 | 163.8 | 0 | 0 | 0 | 106.5 | E56 P60 | E56-L58 PolarHBondContact O-N 2.8Å; L58-P60 WeakPolarHBondContact O-CD 3.4Å | ||
| 59 | Y | 56.5 | Low | 56 | Low | 189 Ų | 189 | 147.1 Ų | 147.1 | 74% | 0.741 | 72% | 0.72 | S | S | * | * | trans | -64 | 121.6 | 168.7 | -73.2 | -81.5 | 0 | 0 | 0 | 106.8 | V57 S61 | V57-Y59 HydrophobicContact CB-CD2 4.15Å; V57-Y59 HydrophobicContact CB-CE2 3.71Å; V57-Y59 HydrophobicContact CG1-CD1 4.28Å; V57-Y59 HydrophobicContact CG1-CD2 3.75Å; V57-Y59 HydrophobicContact CG1-CE1 3.91Å; V57-Y59 HydrophobicContact CG1-CE2 3.33Å; V57-Y59 HydrophobicContact CG1-CG 4.21Å; V57-Y59 VanDerWaalsContact CG1-CZ 3.42Å; V57-Y59 WeakPolarHBondContact O-CD2 3.46Å; V57-Y59 PolarHBondContact O-N 3.17Å; Y59-S61 PolarHBondContact O-N 3.29Å | ||
| 60 | P | 62.7 | Low | 56.2 | Low | 117 Ų | 117 | 149.9 Ų | 149.9 | 76% | 0.76 | 72% | 0.72 | S | S | * | * | trans | -58.8 | 112 | 170.1 | -13.4 | 26.1 | 0 | 0 | 0 | 106.4 | L58 I62 | L58-P60 WeakPolarHBondContact O-CD 3.4Å; P60-I62 PolarHBondContact O-N 3.39Å | ||
| 61 | S | 60 | Low | 56.6 | Low | 110 Ų | 110 | 152.2 Ų | 152.2 | 77% | 0.769 | 73% | 0.729 | S | S | * | * | trans | -70.9 | 88 | 174.2 | 55.6 | 0 | 0 | 0 | 0 | 107.1 | Y59 S63 | Y59-S61 PolarHBondContact O-N 3.29Å; S61-S63 PolarHBondContact O-N 2.95Å | ||
| 62 | I | 64.6 | Low | 56.7 | Low | 149 Ų | 149 | 150.6 Ų | 150.6 | 76% | 0.764 | 73% | 0.727 | S | S | * | * | trans | -68.3 | 107.5 | 173.5 | -171.2 | 154.8 | 0 | 0 | 0 | 107.6 | P60 | P60-I62 PolarHBondContact O-N 3.39Š| ||
| 63 | S | 62.3 | Low | 57.3 | Low | 51 Ų | 51 | 145.8 Ų | 145.8 | 36% | 0.357 | 73% | 0.726 | S | S | . | * | trans | -77.3 | 141.3 | 179.2 | 167.9 | 0 | 0 | 0 | 0 | 108.9 | S61 R65 D66 | S61-S63 PolarHBondContact O-N 2.95Å; S63-R65 PolarHBondContact O-N 3.46Å; S63-R65 PolarHBondContact OG-N 3.39Å; S63-R65 VanDerWaalsContact OG-N 3.08Å; S63-D66 WeakPolarHBondContact CB-OD2 3.17Å; S63-D66 PolarHBondContact N-OD2 3.46Å; S63-D66 VanDerWaalsContact N-OD2 3.09Å; S63-D66 PolarHBondContact O-N 2.99Å | ||
| 64 | L | 53.8 | Low | 57.5 | Low | 144 Ų | 144 | 142.2 Ų | 142.2 | 75% | 0.754 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | 11.7 | 165.9 | -104.8 | 151.4 | 0 | 0 | 0 | 112.5 | W67 | L64-W67 VanDerWaalsContact CA-NE1 3.28Å; L64-W67 VanDerWaalsContact CD2-CE2 3.49Å; L64-W67 HydrophobicContact CD2-CZ2 3.67Å; L64-W67 PolarHBondContact O-NE1 3.41Å |
| 65 | R | 56.3 | Low | 57.2 | Low | 207 Ų | 207 | 139 Ų | 139 | 78% | 0.781 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | -20.9 | 166.3 | -62.8 | -171.8 | -178.8 | -142.5 | 1.6 | 112.5 | S63 W67 S68 | S63-R65 PolarHBondContact O-N 3.46Å; S63-R65 PolarHBondContact OG-N 3.39Å; S63-R65 VanDerWaalsContact OG-N 3.08Å; R65-W67 VanDerWaalsContact C-N 3.32Å; R65-W67 PolarHBondContact O-N 3.27Å; R65-S68 PolarHBondContact O-N 3.24Å; R65-S68 PolarHBondContact O-OG 3.4Å |
| 66 | D | 58.6 | Low | 57.2 | Low | 116 Ų | 116 | 139 Ų | 139 | 62% | 0.62 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -20.1 | -177 | -54.3 | -24.7 | 0 | 0 | 0 | 112 | S63 S68 | S63-D66 WeakPolarHBondContact CB-OD2 3.17Å; S63-D66 PolarHBondContact N-OD2 3.46Å; S63-D66 VanDerWaalsContact N-OD2 3.09Å; S63-D66 PolarHBondContact O-N 2.99Å; D66-S68 VanDerWaalsContact C-N 3.35Å |
| 67 | W | 58.8 | Low | 57 | Low | 162 Ų | 162 | 140.2 Ų | 140.2 | 61% | 0.614 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | 0.9 | 174.8 | 73.5 | -73.1 | 0 | 0 | 0 | 113.7 | L64 R65 M69 | L64-W67 VanDerWaalsContact CA-NE1 3.28Å; L64-W67 VanDerWaalsContact CD2-CE2 3.49Å; L64-W67 HydrophobicContact CD2-CZ2 3.67Å; L64-W67 PolarHBondContact O-NE1 3.41Å; R65-W67 VanDerWaalsContact C-N 3.32Å; R65-W67 PolarHBondContact O-N 3.27Å; W67-M69 PolarHBondContact O-N 2.92Å |
| 68 | S | 52.3 | Low | 56.2 | Low | 85 Ų | 85 | 138.7 Ų | 138.7 | 59% | 0.594 | 72% | 0.723 | S | S | * | * | trans | -68.1 | 87.3 | 175.1 | 74.8 | 0 | 0 | 0 | 0 | 108.1 | R65 D66 Q70 | R65-S68 PolarHBondContact O-N 3.24Å; R65-S68 PolarHBondContact O-OG 3.4Å; D66-S68 VanDerWaalsContact C-N 3.35Å; S68-Q70 PolarHBondContact O-N 2.98Å | ||
| 69 | M | 54.6 | Low | 55.3 | Low | 172 Ų | 172 | 140.2 Ų | 140.2 | 85% | 0.847 | 73% | 0.726 | S | S | * | * | trans | -62.3 | 92.1 | 162.5 | -77 | -174.8 | -109 | 0 | 0 | 105.5 | W67 M71 | W67-M69 PolarHBondContact O-N 2.92Å; M69-M71 VanDerWaalsContact C-N 3.3Å; M69-M71 PolarHBondContact O-N 2.93Å | ||
| 70 | Q | 54.2 | Low | 55 | Low | 168 Ų | 168 | 136.3 Ų | 136.3 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | trans | -58.9 | 104.1 | 165.5 | -171.7 | 164.4 | 32.6 | 0 | 0 | 104.8 | S68 M72 | S68-Q70 PolarHBondContact O-N 2.98Å; Q70-M72 PolarHBondContact O-N 3.18Å | ||
| 71 | M | 54 | Low | 53.9 | Low | 180 Ų | 180 | 140.4 Ų | 140.4 | 89% | 0.887 | 74% | 0.739 | S | S | * | * | trans | -61 | 91.9 | 167.5 | -72.5 | -137.9 | -62.3 | 0 | 0 | 105.5 | M69 S73 | M69-M71 VanDerWaalsContact C-N 3.3Å; M69-M71 PolarHBondContact O-N 2.93Å; M71-S73 PolarHBondContact O-N 2.7Å | ||
| 72 | M | 52.1 | Low | 53.7 | Low | 165 Ų | 165 | 140.5 Ų | 140.5 | 81% | 0.813 | 74% | 0.739 | S | S | * | * | trans | -56 | 117.4 | 165.7 | -62.6 | -164.7 | 79.1 | 0 | 0 | 104.1 | Q70 A74 | Q70-M72 PolarHBondContact O-N 3.18Å; M72-A74 PolarHBondContact O-N 2.9Å | ||
| 73 | S | 58.9 | Low | 52.6 | Low | 110 Ų | 110 | 140.7 Ų | 140.7 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | trans | -33.3 | 130.2 | -179.9 | 45.8 | 0 | 0 | 0 | 0 | 110.5 | M71 | M71-S73 PolarHBondContact O-N 2.7Š| ||
| 74 | A | 55.8 | Low | 51.8 | Low | 84 Ų | 84 | 143.9 Ų | 143.9 | 69% | 0.694 | 76% | 0.764 | S | S | * | * | trans | -42.4 | 138.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | M72 Y76 | M72-A74 PolarHBondContact O-N 2.9Å; A74-Y76 PolarHBondContact O-N 2.73Å | ||
| 75 | P | 52.1 | Low | 51.3 | Low | 98 Ų | 98 | 143.4 Ų | 143.4 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | trans | -49.3 | 124 | 177.1 | -21.8 | 31.1 | 0 | 0 | 0 | 107.7 | F77 | P75-F77 HydrophobicContact CB-CD2 4.38Å; P75-F77 HydrophobicContact CB-CE2 3.97Å; P75-F77 HydrophobicContact CB-CZ 4.39Å; P75-F77 HydrophobicContact CG-CE2 4.34Å; P75-F77 VanDerWaalsContact O-CD2 3.24Å; P75-F77 WeakPolarHBondContact O-CD2 3.28Å; P75-F77 PolarHBondContact O-N 3.03Å | ||
| 76 | Y | 51.7 | Low | 50.9 | Low | 222 Ų | 222 | 141.4 Ų | 141.4 | 87% | 0.871 | 76% | 0.762 | S | S | * | * | trans | -65.6 | 89.5 | 179.1 | -165.4 | -93.3 | 0 | 0 | 0 | 107.3 | A74 G78 | A74-Y76 PolarHBondContact O-N 2.73Å; Y76-G78 PolarHBondContact O-N 2.9Å | ||
| 77 | F | 52.9 | Low | 50.2 | Low | 181 Ų | 181 | 144.1 Ų | 144.1 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | trans | -70.8 | 102.6 | 167.5 | -72.4 | -77.7 | 0 | 0 | 0 | 105.6 | P75 E79 | P75-F77 HydrophobicContact CB-CD2 4.38Å; P75-F77 HydrophobicContact CB-CE2 3.97Å; P75-F77 HydrophobicContact CB-CZ 4.39Å; P75-F77 HydrophobicContact CG-CE2 4.34Å; P75-F77 VanDerWaalsContact O-CD2 3.24Å; P75-F77 WeakPolarHBondContact O-CD2 3.28Å; P75-F77 PolarHBondContact O-N 3.03Å; F77-E79 PolarHBondContact O-N 3.19Å | ||
| 78 | G | 45.8 | Very low | 49.5 | Very low | 54 Ų | 54 | 139 Ų | 139 | 56% | 0.557 | 77% | 0.773 | S | S | * | * | trans | -48.1 | 135.8 | -179 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y76 | Y76-G78 PolarHBondContact O-N 2.9Š| ||
| 79 | E | 43 | Very low | 49.2 | Very low | 181 Ų | 181 | 143.5 Ų | 143.5 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 38 | 104 | 154 | -151.5 | 166.2 | -161.3 | 0 | 0 | 116.5 | F77 K81 | F77-E79 PolarHBondContact O-N 3.19Å; E79-K81 PolarHBondContact O-N 2.81Å |
| 80 | A | 50.8 | Low | 48.5 | Very low | 106 Ų | 106 | 143.3 Ų | 143.3 | 88% | 0.876 | 78% | 0.782 | S | S | * | * | trans | -49.4 | 98.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 81 | K | 39.6 | Very low | 47.8 | Very low | 203 Ų | 203 | 146.4 Ų | 146.4 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | -94.7 | 105.5 | 152.7 | -92.5 | 176 | 177.2 | 167.5 | 0 | 107.9 | E79 | E79-K81 PolarHBondContact O-N 2.81Š| ||
| 82 | S | 56 | Low | 47.3 | Very low | 112 Ų | 112 | 144.8 Ų | 144.8 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | trans | -48.3 | 162.1 | 166.6 | 56.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 83 | K | 40.3 | Very low | 46.6 | Very low | 154 Ų | 154 | 142.5 Ų | 142.5 | 67% | 0.67 | 78% | 0.778 | S | S | * | * | trans | 102.7 | 83.1 | 165.7 | -147.9 | -177.5 | -175.3 | -146.6 | 0 | 111.6 | E85 | K83-E85 WeakPolarHBondContact CD-OE2 3.49Å; K83-E85 WeakPolarHBondContact CE-OE2 3.4Å; K83-E85 HydrophobicContact CG-CB 4.33Å; K83-E85 IonicContact NZ-OE2 2.67Å; K83-E85 PolarHBondContact NZ-OE2 3.21Å; K83-E85 PolarHBondContact O-N 3.35Å | ||
| 84 | A | 47 | Very low | 46.2 | Very low | 118 Ų | 118 | 144 Ų | 144 | 98% | 0.975 | 78% | 0.783 | S | S | * | * | 56.7 | 9.1 | 82.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 85 | E | 43.5 | Very low | 45.6 | Very low | 134 Ų | 134 | 146.1 Ų | 146.1 | 63% | 0.626 | 79% | 0.787 | S | S | * | * | trans | -130.9 | 8.5 | -168.7 | -159.8 | 167.8 | 175.8 | 0 | 0 | 115.6 | K83 | K83-E85 WeakPolarHBondContact CD-OE2 3.49Å; K83-E85 WeakPolarHBondContact CE-OE2 3.4Å; K83-E85 HydrophobicContact CG-CB 4.33Å; K83-E85 IonicContact NZ-OE2 2.67Å; K83-E85 PolarHBondContact NZ-OE2 3.21Å; K83-E85 PolarHBondContact O-N 3.35Å | ||
| 86 | L | 46.6 | Very low | 45.4 | Very low | 164 Ų | 164 | 144.3 Ų | 144.3 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -132.4 | -5.8 | -176 | -91.9 | 170.7 | 0 | 0 | 0 | 119.2 | ||
| 87 | L | 43.6 | Very low | 44.6 | Very low | 173 Ų | 173 | 142.3 Ų | 142.3 | 91% | 0.906 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -141.4 | 33.8 | -176.9 | -80.8 | 165.8 | 0 | 0 | 0 | 113.7 | ||
| 88 | G | 45.1 | Very low | 44.1 | Very low | 55 Ų | 55 | 144.2 Ų | 144.2 | 57% | 0.567 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -87 | -22.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 89 | E | 45.9 | Very low | 44.1 | Very low | 179 Ų | 179 | 149.2 Ų | 149.2 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -122 | 16.7 | -154.6 | -59.1 | -55.9 | 151.4 | 0 | 0 | 116.5 | ||
| 90 | Q | 40.6 | Very low | 44 | Very low | 169 Ų | 169 | 149.2 Ų | 149.2 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -112.1 | -3.4 | -176.8 | -160.4 | 160.2 | 30.1 | 0 | 0 | 116 | ||
| 91 | W | 38.2 | Very low | 43.7 | Very low | 232 Ų | 232 | 148.8 Ų | 148.8 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -130.5 | 35.7 | -172.9 | -71.7 | 105.9 | 0 | 0 | 0 | 116.1 | ||
| 92 | L | 44.1 | Very low | 44.2 | Very low | 147 Ų | 147 | 145.4 Ų | 145.4 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | trans | -110.5 | 116 | 170 | -65.3 | 177.1 | 0 | 0 | 0 | 111 | V94 | L92-V94 PolarHBondContact O-N 3.35Š| ||
| 93 | P | 36.8 | Very low | 43.8 | Very low | 116 Ų | 116 | 146.5 Ų | 146.5 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | trans | -65.5 | 128.8 | 161.8 | -11.5 | 26.7 | 0 | 0 | 0 | 108.9 | V95 | P93-V95 PolarHBondContact O-N 3.27Å; P93-V95 VanDerWaalsContact O-N 3.08Å | ||
| 94 | V | 51.6 | Low | 44.4 | Very low | 143 Ų | 143 | 144.8 Ų | 144.8 | 87% | 0.867 | 76% | 0.76 | S | S | * | * | trans | -53.2 | 110.1 | 167.3 | 169.8 | 0 | 0 | 0 | 0 | 109.4 | L92 | L92-V94 PolarHBondContact O-N 3.35Š| ||
| 95 | V | 43.1 | Very low | 44.6 | Very low | 128 Ų | 128 | 140.9 Ų | 140.9 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | trans | -137.9 | 82.3 | 153 | -177.3 | 0 | 0 | 0 | 0 | 107.8 | P93 | P93-V95 PolarHBondContact O-N 3.27Å; P93-V95 VanDerWaalsContact O-N 3.08Å | ||
| 96 | G | 46.4 | Very low | 45 | Very low | 60 Ų | 60 | 141 Ų | 141 | 62% | 0.619 | 73% | 0.726 | S | S | * | * | trans | -81.3 | 101.7 | 154.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 97 | Q | 35.8 | Very low | 45.1 | Very low | 179 Ų | 179 | 135 Ų | 135 | 84% | 0.836 | 71% | 0.705 | S | S | * | * | trans | -148.7 | 107.1 | 154.8 | -159.2 | 153 | -4.4 | 0 | 0 | 108.8 | ||||
| 98 | W | 42.7 | Very low | 45.3 | Very low | 221 Ų | 221 | 135.9 Ų | 135.9 | 84% | 0.837 | 70% | 0.696 | S | S | * | * | trans | -80 | 150.5 | -166.7 | -66.9 | 73.4 | 0 | 0 | 0 | 112.1 | M100 | W98-M100 PolarHBondContact O-N 3.39Š| ||
| 99 | Q | 45.9 | Very low | 45.3 | Very low | 160 Ų | 160 | 140 Ų | 140 | 75% | 0.748 | 70% | 0.704 | S | S | * | * | S | Bend | trans | 83.9 | -9.3 | 144.3 | -90.8 | 169.9 | -34.8 | 0 | 0 | 123 | ||
| 100 | M | 40.4 | Very low | 45.6 | Very low | 181 Ų | 181 | 133.7 Ų | 133.7 | 89% | 0.892 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -99.7 | -4.4 | 171.5 | -80.5 | -80.4 | 154.7 | 0 | 0 | 114 | W98 | W98-M100 PolarHBondContact O-N 3.39Š|
| 101 | D | 45 | Very low | 46.2 | Very low | 96 Ų | 96 | 132.7 Ų | 132.7 | 51% | 0.513 | 69% | 0.688 | S | S | . | * | S | Bend | trans | -104.1 | 0.6 | -169.6 | -137.8 | 2.4 | 0 | 0 | 0 | 113.8 | A105 | D101-A105 WeakPolarHBondContact O-CA 3.32Å; D101-A105 WeakPolarHBondContact O-CB 3.29Å; D101-A105 PolarHBondContact O-N 2.94Å |
| 102 | E | 50.1 | Low | 46.7 | Very low | 133 Ų | 133 | 131.5 Ų | 131.5 | 62% | 0.621 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -71.2 | -33.5 | 179.7 | -84.8 | -177.2 | 138.4 | 0 | 0 | 112.7 | K106 | E102-K106 WeakPolarHBondContact O-CB 3.42Å; E102-K106 WeakPolarHBondContact O-CD 3.36Å; E102-K106 WeakPolarHBondContact O-CE 3.24Å; E102-K106 WeakPolarHBondContact O-CG 3.17Å; E102-K106 PolarHBondContact O-N 3.09Å |
| 103 | D | 48.3 | Very low | 46.7 | Very low | 134 Ų | 134 | 128 Ų | 128 | 72% | 0.717 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -86.4 | -30.7 | 177.9 | -77.2 | -15.3 | 0 | 0 | 0 | 112.5 | ||
| 104 | M | 52.6 | Low | 47.2 | Very low | 118 Ų | 118 | 127.1 Ų | 127.1 | 58% | 0.581 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -75.3 | -42.2 | 173.1 | -101 | -177.8 | 50.8 | 0 | 0 | 112.1 | K106 G107 W108 | M104-K106 VanDerWaalsContact C-N 3.27Å; M104-K106 PolarHBondContact O-N 3.11Å; M104-G107 PolarHBondContact O-N 3.04Å; M104-W108 PolarHBondContact O-N 3.35Å |
| 105 | A | 49.7 | Very low | 47.1 | Very low | 36 Ų | 36 | 130.3 Ų | 130.3 | 30% | 0.298 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -64.8 | -31.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D101 G107 W108 L109 | D101-A105 WeakPolarHBondContact O-CA 3.32Å; D101-A105 WeakPolarHBondContact O-CB 3.29Å; D101-A105 PolarHBondContact O-N 2.94Å; A105-G107 VanDerWaalsContact C-N 3.32Å; A105-G107 PolarHBondContact O-N 3.41Å; A105-W108 PolarHBondContact O-N 3.28Å; A105-L109 WeakPolarHBondContact O-CB 3.42Å; A105-L109 PolarHBondContact O-N 3.5Å |
| 106 | K | 52.8 | Low | 47.3 | Very low | 136 Ų | 136 | 127.4 Ų | 127.4 | 59% | 0.591 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -65.2 | -34.3 | 175.1 | -77.7 | 172.1 | -157 | -178.4 | 0 | 112.8 | E102 M104 G110 | E102-K106 WeakPolarHBondContact O-CB 3.42Å; E102-K106 WeakPolarHBondContact O-CD 3.36Å; E102-K106 WeakPolarHBondContact O-CE 3.24Å; E102-K106 WeakPolarHBondContact O-CG 3.17Å; E102-K106 PolarHBondContact O-N 3.09Å; M104-K106 VanDerWaalsContact C-N 3.27Å; M104-K106 PolarHBondContact O-N 3.11Å; K106-G110 PolarHBondContact O-N 2.99Å |
| 107 | G | 47.8 | Very low | 47.3 | Very low | 39 Ų | 39 | 127.3 Ų | 127.3 | 40% | 0.402 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -72.7 | -35.9 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | M104 A105 | M104-G107 PolarHBondContact O-N 3.04Å; A105-G107 VanDerWaalsContact C-N 3.32Å; A105-G107 PolarHBondContact O-N 3.41Å |
| 108 | W | 48.2 | Very low | 47.9 | Very low | 191 Ų | 191 | 126.1 Ų | 126.1 | 72% | 0.723 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -82.1 | -29 | -178.3 | -77.3 | 69.2 | 0 | 0 | 0 | 114.1 | M104 A105 W112 | M104-W108 PolarHBondContact O-N 3.35Å; A105-W108 PolarHBondContact O-N 3.28Å; W108-W112 VanDerWaalsContact O-CD1 3.26Å |
| 109 | L | 46.5 | Very low | 48.3 | Very low | 141 Ų | 141 | 121.7 Ų | 121.7 | 74% | 0.738 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -88.6 | -22.4 | 176.6 | -103.4 | 135.6 | 0 | 0 | 0 | 113.6 | A105 | A105-L109 WeakPolarHBondContact O-CB 3.42Å; A105-L109 PolarHBondContact O-N 3.5Å |
| 110 | G | 50.3 | Low | 48.7 | Very low | 48 Ų | 48 | 119.7 Ų | 119.7 | 50% | 0.495 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -74.6 | -35.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | K106 | K106-G110 PolarHBondContact O-N 2.99Å |
| 111 | D | 54 | Low | 49.3 | Very low | 148 Ų | 148 | 119.7 Ų | 119.7 | 79% | 0.791 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -10.9 | -171 | -73.3 | -11.4 | 0 | 0 | 0 | 114.3 | ||
| 112 | W | 49 | Very low | 49.8 | Very low | 207 Ų | 207 | 124.6 Ų | 124.6 | 78% | 0.784 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -3 | 177.4 | -70.9 | 88.5 | 0 | 0 | 0 | 113.9 | W108 P114 | W108-W112 VanDerWaalsContact O-CD1 3.26Å; W112-P114 WeakPolarHBondContact O-CD 3.4Å |
| 113 | A | 44.3 | Very low | 50.1 | Low | 74 Ų | 74 | 126 Ų | 126 | 61% | 0.612 | 66% | 0.658 | S | S | * | * | trans | -75.9 | 107.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q115 | A113-Q115 PolarHBondContact O-N 3.28Å; A113-Q115 VanDerWaalsContact O-N 3.11Å | ||
| 114 | P | 46 | Very low | 50.5 | Low | 96 Ų | 96 | 125.2 Ų | 125.2 | 62% | 0.623 | 65% | 0.654 | S | S | * | * | trans | -72.1 | 113.6 | 169.2 | 1.6 | 18.8 | 0 | 0 | 0 | 105.5 | W112 G116 | W112-P114 WeakPolarHBondContact O-CD 3.4Å; P114-G116 PolarHBondContact O-N 3.05Å | ||
| 115 | Q | 50.8 | Low | 50.9 | Low | 211 Ų | 211 | 125.3 Ų | 125.3 | 99% | 0.986 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -63.6 | 87.5 | 166.2 | -171.8 | 170.6 | -0.6 | 0 | 0 | 108.2 | A113 | A113-Q115 PolarHBondContact O-N 3.28Å; A113-Q115 VanDerWaalsContact O-N 3.11Å |
| 116 | G | 47.7 | Very low | 51.4 | Low | 67 Ų | 67 | 128 Ų | 128 | 69% | 0.691 | 67% | 0.668 | S | S | * | * | S | Bend | trans | 111.9 | 85.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | P114 | P114-G116 PolarHBondContact O-N 3.05Š|
| 117 | S | 45.5 | Very low | 51.8 | Low | 58 Ų | 58 | 125.8 Ų | 125.8 | 41% | 0.406 | 67% | 0.666 | S | S | . | * | trans | 162.2 | 75.9 | 145.7 | 51.2 | 0 | 0 | 0 | 0 | 110.4 | N119 | S117-N119 PolarHBondContact O-N 2.86Š| ||
| 118 | N | 48 | Very low | 52.7 | Low | 154 Ų | 154 | 126.5 Ų | 126.5 | 82% | 0.824 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | 31.9 | 179.5 | 56.5 | -14.6 | 0 | 0 | 0 | 115.4 | ||
| 119 | N | 51.7 | Low | 53.8 | Low | 127 Ų | 127 | 122.5 Ų | 122.5 | 68% | 0.679 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.7 | 9 | -176.5 | -78.2 | -37 | 0 | 0 | 0 | 115.2 | S117 | S117-N119 PolarHBondContact O-N 2.86Š|
| 120 | E | 53.5 | Low | 55.2 | Low | 118 Ų | 118 | 120.8 Ų | 120.8 | 55% | 0.551 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -108.2 | -20.6 | -171.8 | -51.2 | -159.2 | -168.7 | 0 | 0 | 113.9 | ||
| 121 | E | 54 | Low | 56.6 | Low | 182 Ų | 182 | 120.9 Ų | 120.9 | 85% | 0.85 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -86.3 | -24.7 | -168.1 | -149.5 | 170 | -162.3 | 0 | 0 | 114.3 | R123 | E121-R123 PolarHBondContact O-N 3.22Š|
| 122 | K | 56 | Low | 57.9 | Low | 199 Ų | 199 | 116.6 Ų | 116.6 | 87% | 0.865 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -76.2 | 1.8 | 177.7 | -70.7 | -179.2 | 177.2 | 178.6 | 0 | 114.4 | ||
| 123 | R | 55.2 | Low | 59.2 | Low | 162 Ų | 162 | 113.9 Ų | 113.9 | 61% | 0.611 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -106.7 | -0.7 | -169.9 | -50.3 | -171.7 | -62.8 | -168.2 | -1.7 | 114.4 | E121 V127 | E121-R123 PolarHBondContact O-N 3.22Å; R123-V127 WeakPolarHBondContact O-CG2 3.3Å |
| 124 | N | 57.4 | Low | 61.3 | Low | 117 Ų | 117 | 118.3 Ų | 118.3 | 63% | 0.626 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -107.8 | -15.5 | -171.2 | -160.3 | 1.8 | 0 | 0 | 0 | 114.7 | A128 | N124-A128 PolarHBondContact O-N 2.9Š|
| 125 | I | 60.1 | Low | 63.3 | Low | 121 Ų | 121 | 119.9 Ų | 119.9 | 62% | 0.621 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -77.3 | -41.7 | -179.1 | -166.2 | 165.2 | 0 | 0 | 0 | 112.9 | V127 A128 D129 | I125-V127 VanDerWaalsContact C-N 3.25Å; I125-V127 PolarHBondContact O-N 2.98Å; I125-A128 PolarHBondContact O-N 3.32Å; I125-D129 PolarHBondContact O-N 3.03Å |
| 126 | V | 60 | Low | 65.1 | Low | 93 Ų | 93 | 116.3 Ų | 116.3 | 56% | 0.564 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64.6 | -32.6 | 176.6 | 180 | 0 | 0 | 0 | 0 | 111.2 | D130 | V126-D130 WeakPolarHBondContact O-CB 3.42Å; V126-D130 PolarHBondContact O-N 2.75Å |
| 127 | V | 61.5 | Low | 67 | Low | 88 Ų | 88 | 115.2 Ų | 115.2 | 53% | 0.533 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -74.1 | -35.1 | -179.4 | -179.9 | 0 | 0 | 0 | 0 | 111.9 | R123 I125 A131 | R123-V127 WeakPolarHBondContact O-CG2 3.3Å; I125-V127 VanDerWaalsContact C-N 3.25Å; I125-V127 PolarHBondContact O-N 2.98Å; V127-A131 PolarHBondContact O-N 3.05Å |
| 128 | A | 66.9 | Low | 69.4 | Low | 54 Ų | 54 | 118 Ų | 118 | 45% | 0.446 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -68.3 | -42.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | N124 I125 A131 A132 | N124-A128 PolarHBondContact O-N 2.9Å; I125-A128 PolarHBondContact O-N 3.32Å; A128-A131 PolarHBondContact O-N 3Å; A128-A132 PolarHBondContact O-N 2.95Å |
| 129 | D | 70.4 | Confident | 71.6 | Confident | 108 Ų | 108 | 116.7 Ų | 116.7 | 58% | 0.578 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -65.6 | -38.5 | 175.6 | -76 | -18.2 | 0 | 0 | 0 | 111.9 | I125 A131 A132 F133 | I125-D129 PolarHBondContact O-N 3.03Å; D129-A131 VanDerWaalsContact C-N 3.33Å; D129-A131 PolarHBondContact O-N 3.38Å; D129-A132 PolarHBondContact O-N 3.08Å; D129-F133 WeakPolarHBondContact O-CB 3.42Å; D129-F133 PolarHBondContact O-N 2.97Å |
| 130 | D | 76.2 | Confident | 73.6 | Confident | 104 Ų | 104 | 114.4 Ų | 114.4 | 56% | 0.556 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.4 | -39.1 | 173.3 | -86.8 | 5.6 | 0 | 0 | 0 | 112 | V126 R134 | V126-D130 WeakPolarHBondContact O-CB 3.42Å; V126-D130 PolarHBondContact O-N 2.75Å; D130-R134 WeakPolarHBondContact O-CB 3.4Å; D130-R134 PolarHBondContact O-N 3.29Å |
| 131 | A | 81.3 | Confident | 75.6 | Confident | 51 Ų | 51 | 113.1 Ų | 113.1 | 42% | 0.421 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.8 | -47.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V127 A128 D129 F133 R134 E135 | V127-A131 PolarHBondContact O-N 3.05Å; A128-A131 PolarHBondContact O-N 3Å; D129-A131 VanDerWaalsContact C-N 3.33Å; D129-A131 PolarHBondContact O-N 3.38Å; A131-F133 PolarHBondContact O-N 2.95Å; A131-R134 PolarHBondContact O-N 3.29Å; A131-E135 WeakPolarHBondContact O-CG 3.4Å; A131-E135 PolarHBondContact O-N 3.25Å |
| 132 | A | 80.3 | Confident | 77.5 | Confident | 58 Ų | 58 | 107.1 Ų | 107.1 | 48% | 0.479 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.3 | -40.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A128 D129 R134 E135 K136 | A128-A132 PolarHBondContact O-N 2.95Å; D129-A132 PolarHBondContact O-N 3.08Å; A132-R134 VanDerWaalsContact C-N 3.34Å; A132-R134 PolarHBondContact O-N 3.49Å; A132-E135 PolarHBondContact O-N 3.45Å; A132-K136 PolarHBondContact O-N 2.8Å |
| 133 | F | 76.7 | Confident | 79.4 | Confident | 150 Ų | 150 | 101.4 Ų | 101.4 | 66% | 0.658 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.2 | -38.1 | 176.5 | -173.7 | -99.8 | 0 | 0 | 0 | 112.1 | D129 A131 E135 K136 S137 | D129-F133 WeakPolarHBondContact O-CB 3.42Å; D129-F133 PolarHBondContact O-N 2.97Å; A131-F133 PolarHBondContact O-N 2.95Å; F133-E135 VanDerWaalsContact C-N 3.34Å; F133-K136 PolarHBondContact O-N 3.32Å; F133-S137 WeakPolarHBondContact O-CB 3.38Å; F133-S137 PolarHBondContact O-N 3.5Å; F133-S137 PolarHBondContact O-OG 2.99Å |
| 134 | R | 88.7 | Confident | 81.4 | Confident | 166 Ų | 166 | 99.6 Ų | 99.6 | 63% | 0.626 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68 | -33.4 | 176.1 | -163.9 | 171.9 | -178.1 | -137.7 | 2.4 | 112.3 | D130 A131 A132 S137 K138 | D130-R134 WeakPolarHBondContact O-CB 3.4Å; D130-R134 PolarHBondContact O-N 3.29Å; A131-R134 PolarHBondContact O-N 3.29Å; A132-R134 VanDerWaalsContact C-N 3.34Å; A132-R134 PolarHBondContact O-N 3.49Å; R134-S137 VanDerWaalsContact CA-OG 3.28Å; R134-S137 WeakPolarHBondContact CA-OG 3.38Å; R134-S137 PolarHBondContact O-OG 3.45Å; R134-K138 WeakPolarHBondContact O-CD 3.46Å; R134-K138 WeakPolarHBondContact O-CG 3.35Å; R134-K138 PolarHBondContact O-N 3.04Å; R134-K138 VanDerWaalsContact O-N 3.09Å |
| 135 | E | 88.3 | Confident | 83.2 | Confident | 129 Ų | 129 | 103 Ų | 103 | 60% | 0.603 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -71.7 | -42.9 | 174.2 | -72.8 | -175.6 | 173.8 | 0 | 0 | 112.6 | A131 A132 F133 S137 K138 L139 | A131-E135 WeakPolarHBondContact O-CG 3.4Å; A131-E135 PolarHBondContact O-N 3.25Å; A132-E135 PolarHBondContact O-N 3.45Å; F133-E135 VanDerWaalsContact C-N 3.34Å; E135-S137 VanDerWaalsContact C-N 3.35Å; E135-S137 PolarHBondContact O-N 3.01Å; E135-K138 WeakPolarHBondContact O-CB 3.38Å; E135-K138 PolarHBondContact O-N 3.46Å; E135-L139 PolarHBondContact O-N 2.91Å |
| 136 | K | 88.2 | Confident | 84.9 | Confident | 137 Ų | 137 | 102.9 Ų | 102.9 | 60% | 0.596 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.4 | -44.2 | 174.6 | -176.7 | -178.6 | 176.5 | -177.7 | 0 | 111.9 | A132 F133 L139 L140 | A132-K136 PolarHBondContact O-N 2.8Å; F133-K136 PolarHBondContact O-N 3.32Å; K136-L139 PolarHBondContact O-N 3.01Å; K136-L140 HydrophobicContact CG-CD1 4.32Å; K136-L140 WeakPolarHBondContact O-CG 3.49Å; K136-L140 PolarHBondContact O-N 3.42Å |
| 137 | S | 87.9 | Confident | 86.6 | Confident | 44 Ų | 44 | 104.7 Ų | 104.7 | 31% | 0.308 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 177 | 50.6 | 0 | 0 | 0 | 0 | 112.1 | F133 R134 E135 L139 L140 T141 | F133-S137 WeakPolarHBondContact O-CB 3.38Å; F133-S137 PolarHBondContact O-N 3.5Å; F133-S137 PolarHBondContact O-OG 2.99Å; R134-S137 VanDerWaalsContact CA-OG 3.28Å; R134-S137 WeakPolarHBondContact CA-OG 3.38Å; R134-S137 PolarHBondContact O-OG 3.45Å; E135-S137 VanDerWaalsContact C-N 3.35Å; E135-S137 PolarHBondContact O-N 3.01Å; S137-L139 VanDerWaalsContact C-N 3.35Å; S137-L139 PolarHBondContact O-N 3.37Å; S137-L140 PolarHBondContact O-N 3.27Å; S137-T141 PolarHBondContact O-N 2.91Å; S137-T141 PolarHBondContact O-OG1 3.47Å |
| 138 | K | 94 | Very high | 88.2 | Confident | 117 Ų | 117 | 108.8 Ų | 108.8 | 51% | 0.509 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -55.8 | -47 | 172.7 | -76.5 | 168.2 | -175.4 | 173.4 | 0 | 112.2 | R134 E135 T141 A142 | R134-K138 WeakPolarHBondContact O-CD 3.46Å; R134-K138 WeakPolarHBondContact O-CG 3.35Å; R134-K138 PolarHBondContact O-N 3.04Å; R134-K138 VanDerWaalsContact O-N 3.09Å; E135-K138 WeakPolarHBondContact O-CB 3.38Å; E135-K138 PolarHBondContact O-N 3.46Å; K138-T141 PolarHBondContact O-N 2.9Å; K138-A142 WeakPolarHBondContact O-CB 3.32Å; K138-A142 PolarHBondContact O-N 3.35Å |
| 139 | L | 94.4 | Very high | 89.6 | Confident | 126 Ų | 126 | 109.5 Ų | 109.5 | 66% | 0.66 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.4 | -45.3 | 179 | 177.7 | 63.6 | 0 | 0 | 0 | 111.7 | E135 K136 S137 A142 M143 | E135-L139 PolarHBondContact O-N 2.91Å; K136-L139 PolarHBondContact O-N 3.01Å; S137-L139 VanDerWaalsContact C-N 3.35Å; S137-L139 PolarHBondContact O-N 3.37Å; L139-A142 PolarHBondContact O-N 2.92Å; L139-M143 WeakPolarHBondContact O-CB 3.41Å; L139-M143 PolarHBondContact O-N 3.04Å |
| 140 | L | 94.3 | Very high | 90.6 | Very high | 79 Ų | 79 | 108.2 Ų | 108.2 | 41% | 0.414 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.7 | -46.2 | 179.4 | -72.3 | 173.3 | 0 | 0 | 0 | 111.8 | K136 S137 A142 M143 E144 | K136-L140 HydrophobicContact CG-CD1 4.32Å; K136-L140 WeakPolarHBondContact O-CG 3.49Å; K136-L140 PolarHBondContact O-N 3.42Å; S137-L140 PolarHBondContact O-N 3.27Å; L140-A142 PolarHBondContact O-N 3.45Å; L140-M143 HydrophobicContact CD2-CE 3.92Å; L140-M143 WeakPolarHBondContact O-CB 3.28Å; L140-M143 PolarHBondContact O-N 2.96Å; L140-E144 PolarHBondContact O-N 2.91Å |
| 141 | T | 95.1 | Very high | 91.5 | Very high | 91 Ų | 91 | 105.9 Ų | 105.9 | 56% | 0.558 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.7 | -41.2 | 175.5 | -57.9 | 0 | 0 | 0 | 0 | 112 | S137 K138 M143 E144 R145 | S137-T141 PolarHBondContact O-N 2.91Å; S137-T141 PolarHBondContact O-OG1 3.47Å; K138-T141 PolarHBondContact O-N 2.9Å; T141-M143 VanDerWaalsContact C-N 3.31Å; T141-M143 PolarHBondContact O-N 3.44Å; T141-E144 PolarHBondContact O-N 3.29Å; T141-R145 WeakPolarHBondContact O-CB 3.36Å; T141-R145 PolarHBondContact O-N 3Å |
| 142 | A | 94.3 | Very high | 92.1 | Very high | 56 Ų | 56 | 109.2 Ų | 109.2 | 46% | 0.463 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.5 | -40 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | K138 L139 L140 R145 Q146 | K138-A142 WeakPolarHBondContact O-CB 3.32Å; K138-A142 PolarHBondContact O-N 3.35Å; L139-A142 PolarHBondContact O-N 2.92Å; L140-A142 PolarHBondContact O-N 3.45Å; A142-R145 PolarHBondContact O-N 3.35Å; A142-Q146 WeakPolarHBondContact O-CB 3.25Å; A142-Q146 PolarHBondContact O-N 3.34Å |
| 143 | M | 97 | Very high | 92.8 | Very high | 78 Ų | 78 | 111 Ų | 111 | 38% | 0.384 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.8 | -44 | 176.9 | -175.6 | -171.6 | 59.6 | 0 | 0 | 112 | L139 L140 T141 Q146 K147 | L139-M143 WeakPolarHBondContact O-CB 3.41Å; L139-M143 PolarHBondContact O-N 3.04Å; L140-M143 HydrophobicContact CD2-CE 3.92Å; L140-M143 WeakPolarHBondContact O-CB 3.28Å; L140-M143 PolarHBondContact O-N 2.96Å; T141-M143 VanDerWaalsContact C-N 3.31Å; T141-M143 PolarHBondContact O-N 3.44Å; M143-Q146 PolarHBondContact O-N 2.85Å; M143-K147 WeakPolarHBondContact O-CG 3.38Å; M143-K147 PolarHBondContact O-N 3.46Å |
| 144 | E | 95.3 | Very high | 93.4 | Very high | 124 Ų | 124 | 109.1 Ų | 109.1 | 58% | 0.579 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.4 | -43.5 | 175.7 | -73 | 176.1 | 178 | 0 | 0 | 111.6 | L140 T141 Q146 K147 W148 | L140-E144 PolarHBondContact O-N 2.91Å; T141-E144 PolarHBondContact O-N 3.29Å; E144-Q146 VanDerWaalsContact C-N 3.3Å; E144-Q146 PolarHBondContact O-N 2.75Å; E144-K147 PolarHBondContact O-N 3.18Å; E144-W148 WeakPolarHBondContact O-CB 3.42Å; E144-W148 PolarHBondContact O-N 2.9Å |
| 145 | R | 96.1 | Very high | 93.3 | Very high | 189 Ų | 189 | 107.9 Ų | 107.9 | 71% | 0.713 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -58.9 | -42.2 | 174.3 | -172.5 | 179.7 | -179.4 | 104.4 | -0 | 111.6 | T141 A142 W148 L149 | T141-R145 WeakPolarHBondContact O-CB 3.36Å; T141-R145 PolarHBondContact O-N 3Å; A142-R145 PolarHBondContact O-N 3.35Å; R145-W148 PolarHBondContact O-N 3.33Å; R145-L149 WeakPolarHBondContact O-CB 3.36Å; R145-L149 PolarHBondContact O-N 3.23Å |
| 146 | Q | 95.2 | Very high | 93.1 | Very high | 118 Ų | 118 | 105.6 Ų | 105.6 | 55% | 0.551 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.3 | -43.4 | 177 | -174.4 | 62.9 | 16.2 | 0 | 0 | 112 | A142 M143 E144 W148 L149 N150 | A142-Q146 WeakPolarHBondContact O-CB 3.25Å; A142-Q146 PolarHBondContact O-N 3.34Å; M143-Q146 PolarHBondContact O-N 2.85Å; E144-Q146 VanDerWaalsContact C-N 3.3Å; E144-Q146 PolarHBondContact O-N 2.75Å; Q146-W148 VanDerWaalsContact C-N 3.34Å; Q146-L149 PolarHBondContact O-N 3.37Å; Q146-N150 WeakPolarHBondContact O-CB 3.42Å; Q146-N150 PolarHBondContact O-N 3.17Å |
| 147 | K | 96.7 | Very high | 92.6 | Very high | 131 Ų | 131 | 104.9 Ų | 104.9 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.3 | -44.5 | 176.1 | -73.8 | 176.4 | -178.9 | 178.8 | 0 | 111.4 | M143 E144 N150 S151 | M143-K147 WeakPolarHBondContact O-CG 3.38Å; M143-K147 PolarHBondContact O-N 3.46Å; E144-K147 PolarHBondContact O-N 3.18Å; K147-N150 PolarHBondContact O-N 3.27Å; K147-S151 PolarHBondContact O-N 2.85Å |
| 148 | W | 94.8 | Very high | 91.8 | Very high | 174 Ų | 174 | 107.8 Ų | 107.8 | 66% | 0.659 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.5 | -48 | 177.4 | -179.2 | 84.5 | 0 | 0 | 0 | 111.4 | E144 R145 Q146 N150 S151 Y152 | E144-W148 WeakPolarHBondContact O-CB 3.42Å; E144-W148 PolarHBondContact O-N 2.9Å; R145-W148 PolarHBondContact O-N 3.33Å; Q146-W148 VanDerWaalsContact C-N 3.34Å; W148-N150 PolarHBondContact O-N 3.43Å; W148-S151 PolarHBondContact O-N 3.31Å; W148-Y152 WeakPolarHBondContact O-CB 3.09Å; W148-Y152 PolarHBondContact O-N 3.19Å |
| 149 | L | 96.5 | Very high | 90.4 | Very high | 69 Ų | 69 | 107.6 Ų | 107.6 | 36% | 0.361 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 179.1 | -172 | 144.1 | 0 | 0 | 0 | 112 | R145 Q146 Y152 M153 | R145-L149 WeakPolarHBondContact O-CB 3.36Å; R145-L149 PolarHBondContact O-N 3.23Å; Q146-L149 PolarHBondContact O-N 3.37Å; L149-Y152 PolarHBondContact O-N 2.94Å; L149-M153 HydrophobicContact CD2-CG 4.11Å; L149-M153 HydrophobicContact CD2-SD 3.55Å; L149-M153 VanDerWaalsContact CD2-SD 3.55Å; L149-M153 WeakPolarHBondContact O-CG 3.12Å; L149-M153 PolarHBondContact O-N 3.4Å |
| 150 | N | 92.3 | Very high | 88.7 | Confident | 82 Ų | 82 | 108.2 Ų | 108.2 | 44% | 0.439 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 178.5 | -164.7 | -4.7 | 0 | 0 | 0 | 111.5 | Q146 K147 W148 Y152 M153 Q154 | Q146-N150 WeakPolarHBondContact O-CB 3.42Å; Q146-N150 PolarHBondContact O-N 3.17Å; K147-N150 PolarHBondContact O-N 3.27Å; W148-N150 PolarHBondContact O-N 3.43Å; N150-Y152 VanDerWaalsContact C-N 3.32Å; N150-Y152 PolarHBondContact O-N 3.22Å; N150-M153 PolarHBondContact O-N 3.05Å; N150-Q154 WeakPolarHBondContact O-CG 3.32Å; N150-Q154 PolarHBondContact O-N 3.41Å |
| 151 | S | 93.4 | Very high | 87 | Confident | 55 Ų | 55 | 109.3 Ų | 109.3 | 39% | 0.385 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.6 | -40.8 | 174.3 | -176.3 | 0 | 0 | 0 | 0 | 112.2 | K147 W148 Q154 K155 | K147-S151 PolarHBondContact O-N 2.85Å; W148-S151 PolarHBondContact O-N 3.31Å; S151-Q154 PolarHBondContact O-N 2.76Å; S151-K155 WeakPolarHBondContact O-CG 3.44Å; S151-K155 PolarHBondContact O-N 2.91Å |
| 152 | Y | 95 | Very high | 85 | Confident | 121 Ų | 121 | 117 Ų | 117 | 48% | 0.475 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.1 | -45.8 | 178 | -177.5 | -102.1 | 0 | 0 | 0 | 112.3 | W148 L149 N150 Q154 K155 L156 | W148-Y152 WeakPolarHBondContact O-CB 3.09Å; W148-Y152 PolarHBondContact O-N 3.19Å; L149-Y152 PolarHBondContact O-N 2.94Å; N150-Y152 VanDerWaalsContact C-N 3.32Å; N150-Y152 PolarHBondContact O-N 3.22Å; Y152-Q154 VanDerWaalsContact C-N 3.35Å; Y152-Q154 PolarHBondContact O-N 2.91Å; Y152-K155 PolarHBondContact O-N 2.67Å; Y152-L156 HydrophobicContact CD1-CD1 3.93Å; Y152-L156 HydrophobicContact CE1-CD1 3.36Å; Y152-L156 HydrophobicContact CE1-CG 4.16Å; Y152-L156 PolarHBondContact O-N 3.31Å; Y152-L156 VanDerWaalsContact O-N 3.07Å |
| 153 | M | 94.5 | Very high | 84.5 | Confident | 96 Ų | 96 | 120.1 Ų | 120.1 | 47% | 0.473 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -59.4 | -44.6 | 175.2 | -75.6 | -176 | 64.1 | 0 | 0 | 112 | L149 N150 K155 L156 L157 | L149-M153 HydrophobicContact CD2-CG 4.11Å; L149-M153 HydrophobicContact CD2-SD 3.55Å; L149-M153 VanDerWaalsContact CD2-SD 3.55Å; L149-M153 WeakPolarHBondContact O-CG 3.12Å; L149-M153 PolarHBondContact O-N 3.4Å; N150-M153 PolarHBondContact O-N 3.05Å; M153-K155 VanDerWaalsContact C-N 3.33Å; M153-K155 PolarHBondContact O-N 3.11Å; M153-L156 PolarHBondContact O-N 3.17Å; M153-L157 WeakPolarHBondContact O-CB 3.06Å; M153-L157 WeakPolarHBondContact O-CG 3.45Å; M153-L157 PolarHBondContact O-N 2.93Å |
| 154 | Q | 88.5 | Confident | 83.9 | Confident | 109 Ų | 109 | 122.3 Ų | 122.3 | 51% | 0.509 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -60.2 | -43 | 177.2 | -73.2 | 176.7 | -4.5 | 0 | 0 | 111.8 | N150 S151 Y152 L156 L157 V158 | N150-Q154 WeakPolarHBondContact O-CG 3.32Å; N150-Q154 PolarHBondContact O-N 3.41Å; S151-Q154 PolarHBondContact O-N 2.76Å; Y152-Q154 VanDerWaalsContact C-N 3.35Å; Y152-Q154 PolarHBondContact O-N 2.91Å; Q154-L156 VanDerWaalsContact C-N 3.32Å; Q154-L156 PolarHBondContact O-N 3.27Å; Q154-L157 PolarHBondContact O-N 3.08Å; Q154-V158 WeakPolarHBondContact O-CB 2.94Å; Q154-V158 VanDerWaalsContact O-CG2 3.27Å; Q154-V158 WeakPolarHBondContact O-CG2 3.46Å; Q154-V158 PolarHBondContact O-N 3.46Å |
| 155 | K | 88.2 | Confident | 83.2 | Confident | 141 Ų | 141 | 122.2 Ų | 122.2 | 61% | 0.613 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -59.5 | -42.5 | 175 | -73.2 | -178.8 | -180 | -173.2 | 0 | 111.9 | S151 Y152 M153 V159 | S151-K155 WeakPolarHBondContact O-CG 3.44Å; S151-K155 PolarHBondContact O-N 2.91Å; Y152-K155 PolarHBondContact O-N 2.67Å; M153-K155 VanDerWaalsContact C-N 3.33Å; M153-K155 PolarHBondContact O-N 3.11Å; K155-V159 VanDerWaalsContact O-CB 3.32Å; K155-V159 WeakPolarHBondContact O-CB 3.17Å; K155-V159 WeakPolarHBondContact O-CG2 3.2Å; K155-V159 PolarHBondContact O-N 3.18Å |
| 156 | L | 84.2 | Confident | 82.5 | Confident | 81 Ų | 81 | 118.2 Ų | 118.2 | 42% | 0.424 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -68.4 | -37.7 | 177.8 | -70.6 | 177.6 | 0 | 0 | 0 | 113.3 | Y152 M153 Q154 N160 | Y152-L156 HydrophobicContact CD1-CD1 3.93Å; Y152-L156 HydrophobicContact CE1-CD1 3.36Å; Y152-L156 HydrophobicContact CE1-CG 4.16Å; Y152-L156 PolarHBondContact O-N 3.31Å; Y152-L156 VanDerWaalsContact O-N 3.07Å; M153-L156 PolarHBondContact O-N 3.17Å; Q154-L156 VanDerWaalsContact C-N 3.32Å; Q154-L156 PolarHBondContact O-N 3.27Å; L156-N160 PolarHBondContact O-N 3.35Å; L156-N160 PolarHBondContact O-ND2 2.83Å; L156-N160 VanDerWaalsContact O-ND2 3.13Å |
| 157 | L | 77.6 | Confident | 81.7 | Confident | 121 Ų | 121 | 118.3 Ų | 118.3 | 63% | 0.634 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -72.6 | -41.5 | -179.6 | -72.2 | 170.9 | 0 | 0 | 0 | 112.1 | M153 Q154 V159 N160 | M153-L157 WeakPolarHBondContact O-CB 3.06Å; M153-L157 WeakPolarHBondContact O-CG 3.45Å; M153-L157 PolarHBondContact O-N 2.93Å; Q154-L157 PolarHBondContact O-N 3.08Å; L157-V159 VanDerWaalsContact C-N 3.32Å; L157-V159 PolarHBondContact O-N 3.44Å; L157-N160 PolarHBondContact O-N 3.42Å |
| 158 | V | 70.4 | Confident | 80.7 | Confident | 105 Ų | 105 | 117.4 Ų | 117.4 | 64% | 0.636 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -69.6 | -30.5 | 178.3 | 172.7 | 0 | 0 | 0 | 0 | 111.9 | Q154 S161 | Q154-V158 WeakPolarHBondContact O-CB 2.94Å; Q154-V158 VanDerWaalsContact O-CG2 3.27Å; Q154-V158 WeakPolarHBondContact O-CG2 3.46Å; Q154-V158 PolarHBondContact O-N 3.46Å; V158-S161 PolarHBondContact O-OG 3.46Å |
| 159 | V | 64.8 | Low | 79.7 | Confident | 114 Ų | 114 | 113.4 Ų | 113.4 | 69% | 0.691 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -80.1 | -21.1 | 179.7 | 174.1 | 0 | 0 | 0 | 0 | 112.8 | K155 L157 | K155-V159 VanDerWaalsContact O-CB 3.32Å; K155-V159 WeakPolarHBondContact O-CB 3.17Å; K155-V159 WeakPolarHBondContact O-CG2 3.2Å; K155-V159 PolarHBondContact O-N 3.18Å; L157-V159 VanDerWaalsContact C-N 3.32Å; L157-V159 PolarHBondContact O-N 3.44Å |
| 160 | N | 58.2 | Low | 78.4 | Confident | 139 Ų | 139 | 116.8 Ų | 116.8 | 74% | 0.743 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -3 | 178.5 | -89.7 | -54.9 | 0 | 0 | 0 | 114.8 | L156 L157 | L156-N160 PolarHBondContact O-N 3.35Å; L156-N160 PolarHBondContact O-ND2 2.83Å; L156-N160 VanDerWaalsContact O-ND2 3.13Å; L157-N160 PolarHBondContact O-N 3.42Å |
| 161 | S | 59.8 | Low | 77.2 | Confident | 102 Ų | 102 | 119.7 Ų | 119.7 | 71% | 0.713 | 62% | 0.623 | S | S | * | * | trans | -99.6 | 17.8 | -178.8 | 70.6 | 0 | 0 | 0 | 0 | 114 | V158 | V158-S161 PolarHBondContact O-OG 3.46Š| ||
| 162 | Q | 51.8 | Low | 75.7 | Confident | 252 Ų | 252 | 125.5 Ų | 125.5 | 100% | 1.178 | 64% | 0.644 | S | S | * | * | trans | -116.5 | 0 | -178.1 | -140.2 | 178.1 | 43.4 | 0 | 0 | 111.6 |
Retrieved 162 of 162 residues in 401.4 ms
(Link to these results)