| 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 | H | 47.8 | Very low | 58.7 | Low | 230 Ų | 230 | 128.2 Ų | 128.2 | 100% | 1.065 | 65% | 0.653 | S | S | * | * | 0 | -0.1 | 0 | -88.7 | -62.2 | 0 | 0 | 0 | 115.1 | |||||
| 2 | T | 45.9 | Very low | 60 | Low | 127 Ų | 127 | 126.1 Ų | 126.1 | 78% | 0.779 | 65% | 0.651 | S | S | * | * | trans | -94.9 | -18.6 | -175.8 | 40.5 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 3 | M | 47.6 | Very low | 61.4 | Low | 170 Ų | 170 | 126.1 Ų | 126.1 | 84% | 0.837 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -85.5 | -11.1 | -177.3 | -65.2 | -169.6 | 94.1 | 0 | 0 | 115.4 | ||
| 4 | S | 55 | Low | 62.5 | Low | 79 Ų | 79 | 125.5 Ų | 125.5 | 55% | 0.552 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -84.7 | -22.4 | -179.6 | 171.3 | 0 | 0 | 0 | 0 | 113.9 | ||
| 5 | L | 54.9 | Low | 63.4 | Low | 114 Ų | 114 | 123.9 Ų | 123.9 | 60% | 0.597 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -78.9 | -31.6 | 176.4 | -93.7 | 97 | 0 | 0 | 0 | 112.6 | K8 F9 | L5-K8 PolarHBondContact O-N 3.07Å; L5-F9 PolarHBondContact O-N 3.32Å; L5-F9 VanDerWaalsContact O-N 3.1Å |
| 6 | S | 58.9 | Low | 64 | Low | 77 Ų | 77 | 117.9 Ų | 117.9 | 54% | 0.538 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -64.4 | -41.5 | -178 | -163.5 | 0 | 0 | 0 | 0 | 112.3 | F9 Q10 | S6-F9 PolarHBondContact O-N 3.28Å; S6-Q10 PolarHBondContact O-N 3.1Å; S6-Q10 VanDerWaalsContact O-N 3.07Å |
| 7 | H | 61 | Low | 65 | Low | 124 Ų | 124 | 118.9 Ų | 118.9 | 57% | 0.574 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -67.5 | -38.4 | 178.7 | -161.7 | -68.3 | 0 | 0 | 0 | 112.2 | F9 Q10 D11 | H7-F9 VanDerWaalsContact C-N 3.32Å; H7-F9 PolarHBondContact O-N 3.27Å; H7-Q10 PolarHBondContact O-N 2.89Å; H7-D11 IonicContact CE1-OD1 2.64Å; H7-D11 IonicContact CE1-OD2 3.46Å; H7-D11 PolarHBondContact CE1-OD2 3.34Å; H7-D11 IonicContact ND1-OD1 3.68Å; H7-D11 IonicContact ND1-OD2 2.93Å; H7-D11 PolarHBondContact ND1-OD2 2.94Å; H7-D11 PolarHBondContact O-N 3.39Å |
| 8 | K | 63.2 | Low | 65.6 | Low | 144 Ų | 144 | 119.2 Ų | 119.2 | 63% | 0.626 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -66.6 | -33 | 175.4 | -72 | -170.3 | 175.5 | -172.6 | 0 | 112.8 | L5 V12 | L5-K8 PolarHBondContact O-N 3.07Å; K8-V12 WeakPolarHBondContact O-CB 3.12Å; K8-V12 WeakPolarHBondContact O-CG2 3.47Å; K8-V12 PolarHBondContact O-N 3.38Å |
| 9 | F | 64.5 | Low | 66 | Low | 152 Ų | 152 | 118.6 Ų | 118.6 | 67% | 0.667 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70.3 | -38 | 174.4 | -106.1 | -88.6 | 0 | 0 | 0 | 111.6 | L5 S6 H7 V12 E13 | L5-F9 PolarHBondContact O-N 3.32Å; L5-F9 VanDerWaalsContact O-N 3.1Å; S6-F9 PolarHBondContact O-N 3.28Å; H7-F9 VanDerWaalsContact C-N 3.32Å; H7-F9 PolarHBondContact O-N 3.27Å; F9-V12 PolarHBondContact O-N 3.29Å; F9-E13 WeakPolarHBondContact O-CB 3.32Å; F9-E13 PolarHBondContact O-N 2.96Å |
| 10 | Q | 73.8 | Confident | 66.6 | Low | 122 Ų | 122 | 116.7 Ų | 116.7 | 57% | 0.57 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -71.7 | -39.4 | 179.7 | -161.7 | 151 | 3.2 | 0 | 0 | 112.7 | S6 H7 V12 E13 E14 | S6-Q10 PolarHBondContact O-N 3.1Å; S6-Q10 VanDerWaalsContact O-N 3.07Å; H7-Q10 PolarHBondContact O-N 2.89Å; Q10-V12 VanDerWaalsContact C-N 3.27Å; Q10-V12 PolarHBondContact O-N 3.28Å; Q10-E13 PolarHBondContact O-N 2.93Å; Q10-E14 WeakPolarHBondContact O-CB 3.41Å; Q10-E14 PolarHBondContact O-N 3.39Å |
| 11 | D | 73.4 | Confident | 67 | Low | 71 Ų | 71 | 113.8 Ų | 113.8 | 38% | 0.38 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.2 | -33.6 | 171.9 | -68.8 | -34.5 | 0 | 0 | 0 | 112 | H7 N15 | H7-D11 IonicContact CE1-OD1 2.64Å; H7-D11 IonicContact CE1-OD2 3.46Å; H7-D11 PolarHBondContact CE1-OD2 3.34Å; H7-D11 IonicContact ND1-OD1 3.68Å; H7-D11 IonicContact ND1-OD2 2.93Å; H7-D11 PolarHBondContact ND1-OD2 2.94Å; H7-D11 PolarHBondContact O-N 3.39Å; D11-N15 VanDerWaalsContact O-CB 3.24Å; D11-N15 WeakPolarHBondContact O-CB 3.48Å; D11-N15 PolarHBondContact O-N 2.82Å |
| 12 | V | 74.5 | Confident | 68.1 | Low | 103 Ų | 103 | 109.5 Ų | 109.5 | 62% | 0.624 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -74.3 | -36.2 | 177.1 | 169.2 | 0 | 0 | 0 | 0 | 111.3 | K8 F9 Q10 G16 | K8-V12 WeakPolarHBondContact O-CB 3.12Å; K8-V12 WeakPolarHBondContact O-CG2 3.47Å; K8-V12 PolarHBondContact O-N 3.38Å; F9-V12 PolarHBondContact O-N 3.29Å; Q10-V12 VanDerWaalsContact C-N 3.27Å; Q10-V12 PolarHBondContact O-N 3.28Å; V12-G16 PolarHBondContact O-N 3.46Å |
| 13 | E | 77.8 | Confident | 69.3 | Low | 126 Ų | 126 | 108 Ų | 108 | 59% | 0.589 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -69 | -44.8 | 175.6 | -168.5 | 166.4 | -147.5 | 0 | 0 | 111.2 | F9 Q10 G16 E17 | F9-E13 WeakPolarHBondContact O-CB 3.32Å; F9-E13 PolarHBondContact O-N 2.96Å; Q10-E13 PolarHBondContact O-N 2.93Å; E13-G16 CarbonylContact O-C 3.44Å; E13-G16 WeakPolarHBondContact O-CA 3.47Å; E13-G16 PolarHBondContact O-N 2.96Å; E13-G16 VanDerWaalsContact O-N 3.08Å; E13-E17 PolarHBondContact O-N 2.99Å |
| 14 | E | 76.9 | Confident | 70.4 | Confident | 118 Ų | 118 | 105.8 Ų | 105.8 | 55% | 0.551 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.4 | -41.5 | 176.4 | -170 | 170.3 | -169.9 | 0 | 0 | 112 | Q10 G16 E17 M18 | Q10-E14 WeakPolarHBondContact O-CB 3.41Å; Q10-E14 PolarHBondContact O-N 3.39Å; E14-G16 VanDerWaalsContact C-N 3.27Å; E14-G16 PolarHBondContact O-N 3.41Å; E14-E17 PolarHBondContact O-N 2.88Å; E14-M18 WeakPolarHBondContact O-CB 3.39Å; E14-M18 PolarHBondContact O-N 2.94Å |
| 15 | N | 75.4 | Confident | 71.1 | Confident | 101 Ų | 101 | 105.9 Ų | 105.9 | 54% | 0.54 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.2 | -34.8 | 169.9 | -89.4 | 9.9 | 0 | 0 | 0 | 112.1 | D11 L19 | D11-N15 VanDerWaalsContact O-CB 3.24Å; D11-N15 WeakPolarHBondContact O-CB 3.48Å; D11-N15 PolarHBondContact O-N 2.82Å; N15-L19 WeakPolarHBondContact O-CB 3.24Å; N15-L19 PolarHBondContact O-N 3.34Å |
| 16 | G | 74.1 | Confident | 71.6 | Confident | 29 Ų | 29 | 102.8 Ų | 102.8 | 30% | 0.299 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.2 | -46.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V12 E13 E14 L19 V20 | V12-G16 PolarHBondContact O-N 3.46Å; E13-G16 CarbonylContact O-C 3.44Å; E13-G16 WeakPolarHBondContact O-CA 3.47Å; E13-G16 PolarHBondContact O-N 2.96Å; E13-G16 VanDerWaalsContact O-N 3.08Å; E14-G16 VanDerWaalsContact C-N 3.27Å; E14-G16 PolarHBondContact O-N 3.41Å; G16-L19 PolarHBondContact O-N 3.08Å; G16-V20 VanDerWaalsContact O-CG2 3.32Å; G16-V20 WeakPolarHBondContact O-CG2 3.48Å; G16-V20 PolarHBondContact O-N 3Å |
| 17 | E | 80.4 | Confident | 72.4 | Confident | 135 Ų | 135 | 103.9 Ų | 103.9 | 63% | 0.631 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64 | -41.5 | 175.6 | -73.6 | -172.8 | 169 | 0 | 0 | 111.8 | E13 E14 L19 V20 A21 | E13-E17 PolarHBondContact O-N 2.99Å; E14-E17 PolarHBondContact O-N 2.88Å; E17-L19 VanDerWaalsContact C-N 3.34Å; E17-L19 PolarHBondContact O-N 3.34Å; E17-V20 PolarHBondContact O-N 2.88Å; E17-A21 WeakPolarHBondContact O-CB 3.37Å; E17-A21 PolarHBondContact O-N 3.26Å |
| 18 | M | 75.9 | Confident | 73.1 | Confident | 124 Ų | 124 | 101 Ų | 101 | 61% | 0.611 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.7 | -39.5 | 176.4 | -160.5 | -167.4 | -59.7 | 0 | 0 | 111.7 | E14 F22 | E14-M18 WeakPolarHBondContact O-CB 3.39Å; E14-M18 PolarHBondContact O-N 2.94Å; M18-F22 WeakPolarHBondContact O-CB 3.39Å; M18-F22 PolarHBondContact O-N 3.48Å |
| 19 | L | 73.6 | Confident | 73.9 | Confident | 107 Ų | 107 | 100.6 Ų | 100.6 | 56% | 0.56 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.5 | -43.4 | 173.6 | -94 | 155.7 | 0 | 0 | 0 | 112.1 | N15 G16 E17 F22 I23 | N15-L19 WeakPolarHBondContact O-CB 3.24Å; N15-L19 PolarHBondContact O-N 3.34Å; G16-L19 PolarHBondContact O-N 3.08Å; E17-L19 VanDerWaalsContact C-N 3.34Å; E17-L19 PolarHBondContact O-N 3.34Å; L19-F22 PolarHBondContact O-N 3.34Å; L19-I23 WeakPolarHBondContact O-CB 3.22Å; L19-I23 WeakPolarHBondContact O-CD1 3.39Å; L19-I23 WeakPolarHBondContact O-CG1 3.49Å; L19-I23 PolarHBondContact O-N 3.33Å |
| 20 | V | 76.7 | Confident | 74.5 | Confident | 81 Ų | 81 | 99.1 Ų | 99.1 | 49% | 0.491 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.7 | -40.9 | 177.9 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | G16 E17 F22 I23 N24 | G16-V20 VanDerWaalsContact O-CG2 3.32Å; G16-V20 WeakPolarHBondContact O-CG2 3.48Å; G16-V20 PolarHBondContact O-N 3Å; E17-V20 PolarHBondContact O-N 2.88Å; V20-F22 VanDerWaalsContact C-N 3.34Å; V20-I23 PolarHBondContact O-N 2.94Å; V20-N24 WeakPolarHBondContact CG1-ND2 3.32Å; V20-N24 VanDerWaalsContact O-CB 3.32Å; V20-N24 WeakPolarHBondContact O-CB 3.45Å; V20-N24 VanDerWaalsContact O-CG 3.25Å; V20-N24 PolarHBondContact O-N 3.46Å; V20-N24 PolarHBondContact O-ND2 2.93Å |
| 21 | A | 75.1 | Confident | 74.8 | Confident | 56 Ų | 56 | 99 Ų | 99 | 46% | 0.463 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64 | -38.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | E17 S25 | E17-A21 WeakPolarHBondContact O-CB 3.37Å; E17-A21 PolarHBondContact O-N 3.26Å; A21-S25 VanDerWaalsContact O-CB 3.28Å; A21-S25 WeakPolarHBondContact O-CB 3.32Å; A21-S25 PolarHBondContact O-N 3.38Å; A21-S25 PolarHBondContact O-OG 3.15Å |
| 22 | F | 72.3 | Confident | 75.3 | Confident | 139 Ų | 139 | 104.8 Ų | 104.8 | 61% | 0.61 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.3 | -42.8 | 174 | -175.4 | -99.2 | 0 | 0 | 0 | 112 | M18 L19 V20 S25 S26 | M18-F22 WeakPolarHBondContact O-CB 3.39Å; M18-F22 PolarHBondContact O-N 3.48Å; L19-F22 PolarHBondContact O-N 3.34Å; V20-F22 VanDerWaalsContact C-N 3.34Å; F22-S25 WeakPolarHBondContact CA-OG 3.39Å; F22-S25 PolarHBondContact O-N 2.92Å; F22-S25 PolarHBondContact O-OG 3.41Å; F22-S26 VanDerWaalsContact O-CB 3.31Å; F22-S26 WeakPolarHBondContact O-CB 3.35Å; F22-S26 PolarHBondContact O-N 3.5Å; F22-S26 VanDerWaalsContact O-N 3.07Å; F22-S26 PolarHBondContact O-OG 2.89Å |
| 23 | I | 71.4 | Confident | 75.9 | Confident | 97 Ų | 97 | 106.3 Ų | 106.3 | 50% | 0.497 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.4 | -45 | 176.4 | -69.9 | 164.4 | 0 | 0 | 0 | 111.1 | L19 V20 S25 S26 | L19-I23 WeakPolarHBondContact O-CB 3.22Å; L19-I23 WeakPolarHBondContact O-CD1 3.39Å; L19-I23 WeakPolarHBondContact O-CG1 3.49Å; L19-I23 PolarHBondContact O-N 3.33Å; V20-I23 PolarHBondContact O-N 2.94Å; I23-S25 PolarHBondContact O-N 2.86Å; I23-S26 PolarHBondContact O-N 3.27Å |
| 24 | N | 69.4 | Low | 76.4 | Confident | 122 Ų | 122 | 104.5 Ų | 104.5 | 65% | 0.652 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -68.7 | -31.8 | 179.4 | -73.3 | -24.5 | 0 | 0 | 0 | 112.9 | V20 | V20-N24 WeakPolarHBondContact CG1-ND2 3.32Å; V20-N24 VanDerWaalsContact O-CB 3.32Å; V20-N24 WeakPolarHBondContact O-CB 3.45Å; V20-N24 VanDerWaalsContact O-CG 3.25Å; V20-N24 PolarHBondContact O-N 3.46Å; V20-N24 PolarHBondContact O-ND2 2.93Å |
| 25 | S | 69.8 | Low | 76.9 | Confident | 82 Ų | 82 | 106.4 Ų | 106.4 | 57% | 0.573 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -78.4 | -19.2 | 174.8 | 58 | 0 | 0 | 0 | 0 | 113.6 | A21 F22 I23 Q27 | A21-S25 VanDerWaalsContact O-CB 3.28Å; A21-S25 WeakPolarHBondContact O-CB 3.32Å; A21-S25 PolarHBondContact O-N 3.38Å; A21-S25 PolarHBondContact O-OG 3.15Å; F22-S25 WeakPolarHBondContact CA-OG 3.39Å; F22-S25 PolarHBondContact O-N 2.92Å; F22-S25 PolarHBondContact O-OG 3.41Å; I23-S25 PolarHBondContact O-N 2.86Å; S25-Q27 VanDerWaalsContact C-N 3.31Å; S25-Q27 PolarHBondContact O-N 3.4Å |
| 26 | S | 66.1 | Low | 77.7 | Confident | 48 Ų | 48 | 106.2 Ų | 106.2 | 34% | 0.336 | 55% | 0.55 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.5 | 2.8 | -175 | -67.2 | 0 | 0 | 0 | 0 | 115.8 | F22 I23 P28 | F22-S26 VanDerWaalsContact O-CB 3.31Å; F22-S26 WeakPolarHBondContact O-CB 3.35Å; F22-S26 PolarHBondContact O-N 3.5Å; F22-S26 VanDerWaalsContact O-N 3.07Å; F22-S26 PolarHBondContact O-OG 2.89Å; I23-S26 PolarHBondContact O-N 3.27Å; S26-P28 VanDerWaalsContact O-N 3.16Å |
| 27 | Q | 74.6 | Confident | 78.5 | Confident | 100 Ų | 100 | 111.5 Ų | 111.5 | 47% | 0.467 | 57% | 0.567 | S | S | . | * | trans | 34 | 59.4 | 175.8 | -62.3 | -174.3 | 6.7 | 0 | 0 | 115.2 | S25 E29 K30 L31 | S25-Q27 VanDerWaalsContact C-N 3.31Å; S25-Q27 PolarHBondContact O-N 3.4Å; Q27-E29 PolarHBondContact O-N 3.3Å; Q27-E29 VanDerWaalsContact O-N 3.16Å; Q27-K30 HydrophobicContact CB-CB 4.5Å; Q27-K30 HydrophobicContact CB-CG 4.48Å; Q27-K30 PolarHBondContact O-N 3.07Å; Q27-K30 VanDerWaalsContact O-N 3.13Å; Q27-L31 PolarHBondContact O-N 3.44Å | ||
| 28 | P | 76.8 | Confident | 79 | Confident | 63 Ų | 63 | 113.5 Ų | 113.5 | 41% | 0.409 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.7 | -26.7 | -171.1 | 21.1 | -28.4 | 0 | 0 | 0 | 114.1 | S26 L31 R32 | S26-P28 VanDerWaalsContact O-N 3.16Å; P28-L31 WeakPolarHBondContact O-CB 3.38Å; P28-L31 PolarHBondContact O-N 3.13Å; P28-R32 WeakPolarHBondContact O-CB 3.28Å; P28-R32 PolarHBondContact O-N 3.16Å |
| 29 | E | 78.8 | Confident | 79.7 | Confident | 136 Ų | 136 | 112.2 Ų | 112.2 | 64% | 0.636 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.1 | -42 | 176.4 | -73.9 | 62.2 | -142.3 | 0 | 0 | 111.9 | Q27 L31 R32 E33 | Q27-E29 PolarHBondContact O-N 3.3Å; Q27-E29 VanDerWaalsContact O-N 3.16Å; E29-L31 VanDerWaalsContact C-N 3.33Å; E29-L31 PolarHBondContact O-N 2.92Å; E29-R32 WeakPolarHBondContact O-CB 3.31Å; E29-R32 PolarHBondContact O-N 2.98Å; E29-R32 VanDerWaalsContact O-N 3.15Å; E29-E33 PolarHBondContact O-N 2.66Å |
| 30 | K | 78.6 | Confident | 80.7 | Confident | 122 Ų | 122 | 109.7 Ų | 109.7 | 53% | 0.53 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.4 | -38.1 | 175 | -68.4 | -167.4 | -172.9 | 167.2 | 0 | 111.5 | Q27 R32 E33 V34 | Q27-K30 HydrophobicContact CB-CB 4.5Å; Q27-K30 HydrophobicContact CB-CG 4.48Å; Q27-K30 PolarHBondContact O-N 3.07Å; Q27-K30 VanDerWaalsContact O-N 3.13Å; K30-R32 VanDerWaalsContact C-N 3.25Å; K30-R32 PolarHBondContact O-N 2.8Å; K30-E33 PolarHBondContact O-N 3.43Å; K30-V34 WeakPolarHBondContact O-CB 3.48Å; K30-V34 VanDerWaalsContact O-CG2 3.22Å; K30-V34 WeakPolarHBondContact O-CG2 3.37Å; K30-V34 PolarHBondContact O-N 2.9Å |
| 31 | L | 80 | Confident | 81.6 | Confident | 120 Ų | 120 | 111.6 Ų | 111.6 | 63% | 0.628 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -60.7 | -37.1 | 172.7 | -109 | 154.3 | 0 | 0 | 0 | 111.7 | Q27 P28 E29 K35 | Q27-L31 PolarHBondContact O-N 3.44Å; P28-L31 WeakPolarHBondContact O-CB 3.38Å; P28-L31 PolarHBondContact O-N 3.13Å; E29-L31 VanDerWaalsContact C-N 3.33Å; E29-L31 PolarHBondContact O-N 2.92Å; L31-K35 WeakPolarHBondContact O-CB 3.15Å; L31-K35 PolarHBondContact O-N 3.32Å |
| 32 | R | 84.3 | Confident | 82.5 | Confident | 191 Ų | 191 | 112.8 Ų | 112.8 | 72% | 0.721 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -71.7 | -42.4 | 177 | -164.1 | 177.4 | 172.4 | -170.9 | -3.3 | 112.1 | P28 E29 K30 K35 V36 | P28-R32 WeakPolarHBondContact O-CB 3.28Å; P28-R32 PolarHBondContact O-N 3.16Å; E29-R32 WeakPolarHBondContact O-CB 3.31Å; E29-R32 PolarHBondContact O-N 2.98Å; E29-R32 VanDerWaalsContact O-N 3.15Å; K30-R32 VanDerWaalsContact C-N 3.25Å; K30-R32 PolarHBondContact O-N 2.8Å; R32-K35 WeakPolarHBondContact O-CB 3.41Å; R32-K35 PolarHBondContact O-N 3.44Å; R32-V36 WeakPolarHBondContact O-CG2 3.22Å; R32-V36 PolarHBondContact O-N 3.16Å; R32-V36 VanDerWaalsContact O-N 3.07Å |
| 33 | E | 87 | Confident | 83.6 | Confident | 135 Ų | 135 | 110 Ų | 110 | 63% | 0.631 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -59.6 | -50.1 | 171.5 | -91 | 179.9 | 160 | 0 | 0 | 111.8 | E29 K30 K35 V36 E37 | E29-E33 PolarHBondContact O-N 2.66Å; K30-E33 PolarHBondContact O-N 3.43Å; E33-K35 PolarHBondContact O-N 2.88Å; E33-V36 PolarHBondContact O-N 3Å; E33-E37 PolarHBondContact O-N 3.01Å |
| 34 | V | 87.2 | Confident | 84.7 | Confident | 88 Ų | 88 | 112.5 Ų | 112.5 | 53% | 0.533 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -58.2 | -36.1 | 176.9 | 169.8 | 0 | 0 | 0 | 0 | 111.4 | K30 R38 | K30-V34 WeakPolarHBondContact O-CB 3.48Å; K30-V34 VanDerWaalsContact O-CG2 3.22Å; K30-V34 WeakPolarHBondContact O-CG2 3.37Å; K30-V34 PolarHBondContact O-N 2.9Å; V34-R38 WeakPolarHBondContact O-CB 3.4Å; V34-R38 PolarHBondContact O-N 3.22Å |
| 35 | K | 87.6 | Confident | 86 | Confident | 158 Ų | 158 | 113 Ų | 113 | 69% | 0.687 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.7 | -40.1 | 175.1 | -173.5 | 178.8 | 177.3 | -177.8 | 0 | 112.2 | L31 R32 E33 Q39 | L31-K35 WeakPolarHBondContact O-CB 3.15Å; L31-K35 PolarHBondContact O-N 3.32Å; R32-K35 WeakPolarHBondContact O-CB 3.41Å; R32-K35 PolarHBondContact O-N 3.44Å; E33-K35 PolarHBondContact O-N 2.88Å; K35-Q39 WeakPolarHBondContact O-CB 3.46Å; K35-Q39 PolarHBondContact O-N 2.86Å |
| 36 | V | 92.2 | Very high | 87.2 | Confident | 97 Ų | 97 | 114.8 Ų | 114.8 | 59% | 0.588 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -68.1 | -46.6 | 176.7 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | R32 E33 R38 Q39 A40 | R32-V36 WeakPolarHBondContact O-CG2 3.22Å; R32-V36 PolarHBondContact O-N 3.16Å; R32-V36 VanDerWaalsContact O-N 3.07Å; E33-V36 PolarHBondContact O-N 3Å; V36-R38 VanDerWaalsContact C-N 3.33Å; V36-R38 PolarHBondContact O-N 3.3Å; V36-Q39 PolarHBondContact O-N 3.07Å; V36-Q39 VanDerWaalsContact O-N 3.16Å; V36-A40 PolarHBondContact O-N 2.9Å |
| 37 | E | 90 | Very high | 88.7 | Confident | 140 Ų | 140 | 118.9 Ų | 118.9 | 65% | 0.654 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -60.9 | -42.2 | 175.3 | -73.3 | -170.7 | 159.6 | 0 | 0 | 111.8 | E33 Q39 A40 L41 | E33-E37 PolarHBondContact O-N 3.01Å; E37-Q39 VanDerWaalsContact C-N 3.32Å; E37-Q39 PolarHBondContact O-N 3.04Å; E37-A40 PolarHBondContact O-N 2.96Å; E37-L41 WeakPolarHBondContact O-CB 3.36Å; E37-L41 PolarHBondContact O-N 2.96Å |
| 38 | R | 90.8 | Very high | 89.6 | Confident | 177 Ų | 177 | 117.4 Ų | 117.4 | 67% | 0.668 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -60.3 | -42.8 | 174.5 | -176.4 | -176.6 | 179.6 | -155.3 | -0.5 | 111.3 | V34 V36 L41 I42 | V34-R38 WeakPolarHBondContact O-CB 3.4Å; V34-R38 PolarHBondContact O-N 3.22Å; V36-R38 VanDerWaalsContact C-N 3.33Å; V36-R38 PolarHBondContact O-N 3.3Å; R38-L41 PolarHBondContact O-N 3.19Å; R38-I42 HydrophobicContact CG-CD1 4.27Å; R38-I42 VanDerWaalsContact O-CG1 3.28Å; R38-I42 WeakPolarHBondContact O-CG1 3.5Å; R38-I42 PolarHBondContact O-N 3.47Å |
| 39 | Q | 92.6 | Very high | 90.5 | Very high | 97 Ų | 97 | 120 Ų | 120 | 45% | 0.453 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65 | -45.5 | 177.7 | -172 | 59.5 | 51.4 | 0 | 0 | 111.2 | K35 V36 E37 L41 I42 D43 | K35-Q39 WeakPolarHBondContact O-CB 3.46Å; K35-Q39 PolarHBondContact O-N 2.86Å; V36-Q39 PolarHBondContact O-N 3.07Å; V36-Q39 VanDerWaalsContact O-N 3.16Å; E37-Q39 VanDerWaalsContact C-N 3.32Å; E37-Q39 PolarHBondContact O-N 3.04Å; Q39-L41 VanDerWaalsContact C-N 3.27Å; Q39-L41 PolarHBondContact O-N 3.37Å; Q39-I42 WeakPolarHBondContact O-CB 3.28Å; Q39-I42 PolarHBondContact O-N 2.92Å; Q39-I42 VanDerWaalsContact O-N 3.09Å; Q39-D43 PolarHBondContact NE2-OD1 2.71Å; Q39-D43 VanDerWaalsContact O-CG 3.24Å; Q39-D43 PolarHBondContact O-N 2.99Å |
| 40 | A | 93.9 | Very high | 91.3 | Very high | 55 Ų | 55 | 120.6 Ų | 120.6 | 46% | 0.455 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -60 | -37.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V36 E37 D43 K44 | V36-A40 PolarHBondContact O-N 2.9Å; E37-A40 PolarHBondContact O-N 2.96Å; A40-D43 PolarHBondContact O-N 3.33Å; A40-K44 WeakPolarHBondContact O-CB 3.32Å; A40-K44 PolarHBondContact O-N 2.91Å |
| 41 | L | 94.8 | Very high | 92.1 | Very high | 120 Ų | 120 | 118.1 Ų | 118.1 | 63% | 0.628 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65.5 | -41.2 | 174.4 | -170.7 | 73.2 | 0 | 0 | 0 | 111.8 | E37 R38 Q39 H45 | E37-L41 WeakPolarHBondContact O-CB 3.36Å; E37-L41 PolarHBondContact O-N 2.96Å; R38-L41 PolarHBondContact O-N 3.19Å; Q39-L41 VanDerWaalsContact C-N 3.27Å; Q39-L41 PolarHBondContact O-N 3.37Å; L41-H45 WeakPolarHBondContact O-CB 3.45Å; L41-H45 PolarHBondContact O-N 2.95Å |
| 42 | I | 94.1 | Very high | 92.8 | Very high | 82 Ų | 82 | 115.9 Ų | 115.9 | 42% | 0.421 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.2 | -46.1 | 175.7 | -69.6 | 169.8 | 0 | 0 | 0 | 110.5 | R38 Q39 H45 L46 | R38-I42 HydrophobicContact CG-CD1 4.27Å; R38-I42 VanDerWaalsContact O-CG1 3.28Å; R38-I42 WeakPolarHBondContact O-CG1 3.5Å; R38-I42 PolarHBondContact O-N 3.47Å; Q39-I42 WeakPolarHBondContact O-CB 3.28Å; Q39-I42 PolarHBondContact O-N 2.92Å; Q39-I42 VanDerWaalsContact O-N 3.09Å; I42-H45 PolarHBondContact O-N 3.09Å; I42-L46 PolarHBondContact O-N 3.06Å |
| 43 | D | 95.4 | Very high | 93.3 | Very high | 81 Ų | 81 | 112.8 Ų | 112.8 | 43% | 0.433 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.9 | -45 | -179.2 | -62.2 | -20.2 | 0 | 0 | 0 | 110.5 | Q39 A40 H45 L46 E47 | Q39-D43 PolarHBondContact NE2-OD1 2.71Å; Q39-D43 VanDerWaalsContact O-CG 3.24Å; Q39-D43 PolarHBondContact O-N 2.99Å; A40-D43 PolarHBondContact O-N 3.33Å; D43-H45 VanDerWaalsContact C-N 3.3Å; D43-H45 PolarHBondContact O-N 3.36Å; D43-L46 WeakPolarHBondContact O-CB 3.34Å; D43-L46 PolarHBondContact O-N 2.85Å; D43-E47 PolarHBondContact O-N 3.44Å |
| 44 | K | 95.8 | Very high | 93.7 | Very high | 149 Ų | 149 | 111.4 Ų | 111.4 | 65% | 0.648 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -60 | -39.5 | 173.5 | -172.5 | 178.3 | -179.5 | 177.9 | 0 | 112.1 | A40 T48 | A40-K44 WeakPolarHBondContact O-CB 3.32Å; A40-K44 PolarHBondContact O-N 2.91Å; K44-T48 WeakPolarHBondContact O-CB 3.36Å; K44-T48 PolarHBondContact O-N 2.93Å; K44-T48 PolarHBondContact O-OG1 2.98Å |
| 45 | H | 95.1 | Very high | 94.1 | Very high | 131 Ų | 131 | 111.9 Ų | 111.9 | 61% | 0.606 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67.8 | -39.2 | 177.3 | -172.7 | 62.6 | 0 | 0 | 0 | 111.9 | L41 I42 D43 T48 K49 | L41-H45 WeakPolarHBondContact O-CB 3.45Å; L41-H45 PolarHBondContact O-N 2.95Å; I42-H45 PolarHBondContact O-N 3.09Å; D43-H45 VanDerWaalsContact C-N 3.3Å; D43-H45 PolarHBondContact O-N 3.36Å; H45-T48 PolarHBondContact O-N 3.33Å; H45-K49 VanDerWaalsContact O-CB 3.31Å; H45-K49 WeakPolarHBondContact O-CB 3.39Å; H45-K49 PolarHBondContact O-N 3.17Å |
| 46 | L | 96.3 | Very high | 94.4 | Very high | 120 Ų | 120 | 109.1 Ų | 109.1 | 63% | 0.628 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.7 | -45.3 | 175.7 | -171.7 | 77.2 | 0 | 0 | 0 | 111.3 | I42 D43 K49 K50 | I42-L46 PolarHBondContact O-N 3.06Å; D43-L46 WeakPolarHBondContact O-CB 3.34Å; D43-L46 PolarHBondContact O-N 2.85Å; L46-K49 PolarHBondContact O-N 3.4Å; L46-K50 PolarHBondContact O-N 3.11Å |
| 47 | E | 96.1 | Very high | 94.5 | Very high | 134 Ų | 134 | 111.9 Ų | 111.9 | 63% | 0.626 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.3 | -45.5 | 177.7 | -171.6 | 143.2 | -144.1 | 0 | 0 | 111.5 | D43 K49 K50 T51 | D43-E47 PolarHBondContact O-N 3.44Å; E47-K49 VanDerWaalsContact C-N 3.3Å; E47-K49 PolarHBondContact O-N 2.97Å; E47-K50 WeakPolarHBondContact O-CB 3.44Å; E47-K50 PolarHBondContact O-N 3.38Å; E47-T51 PolarHBondContact O-N 3.32Å; E47-T51 PolarHBondContact O-OG1 3.28Å; E47-T51 VanDerWaalsContact O-OG1 3.11Å |
| 48 | T | 94.2 | Very high | 94.7 | Very high | 70 Ų | 70 | 110.3 Ų | 110.3 | 43% | 0.429 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -57 | -44.6 | 173.7 | -55 | 0 | 0 | 0 | 0 | 111.1 | K44 H45 K50 T51 V52 | K44-T48 WeakPolarHBondContact O-CB 3.36Å; K44-T48 PolarHBondContact O-N 2.93Å; K44-T48 PolarHBondContact O-OG1 2.98Å; H45-T48 PolarHBondContact O-N 3.33Å; T48-K50 VanDerWaalsContact C-N 3.31Å; T48-K50 PolarHBondContact O-N 2.96Å; T48-T51 PolarHBondContact O-N 3.33Å; T48-V52 HydrophobicContact CG2-CG2 4.29Å; T48-V52 WeakPolarHBondContact O-CB 3.34Å; T48-V52 VanDerWaalsContact O-CG2 3.25Å; T48-V52 WeakPolarHBondContact O-CG2 3.41Å; T48-V52 PolarHBondContact O-N 2.88Å |
| 49 | K | 95.1 | Very high | 94.9 | Very high | 117 Ų | 117 | 104.6 Ų | 104.6 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.4 | -37.6 | 177 | -175.3 | 178.9 | -177.1 | 175.5 | 0 | 112.2 | H45 L46 E47 K53 | H45-K49 VanDerWaalsContact O-CB 3.31Å; H45-K49 WeakPolarHBondContact O-CB 3.39Å; H45-K49 PolarHBondContact O-N 3.17Å; L46-K49 PolarHBondContact O-N 3.4Å; E47-K49 VanDerWaalsContact C-N 3.3Å; E47-K49 PolarHBondContact O-N 2.97Å; K49-K53 WeakPolarHBondContact O-CB 3.37Å; K49-K53 WeakPolarHBondContact O-CG 3.46Å; K49-K53 PolarHBondContact O-N 3.05Å; K49-K53 VanDerWaalsContact O-N 3.09Å |
| 50 | K | 96.6 | Very high | 95 | Very high | 148 Ų | 148 | 104.5 Ų | 104.5 | 64% | 0.643 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.8 | -48.3 | 175.9 | -174.5 | -175 | 175.6 | -170.9 | 0 | 110.7 | L46 E47 T48 K53 Q54 | L46-K50 PolarHBondContact O-N 3.11Å; E47-K50 WeakPolarHBondContact O-CB 3.44Å; E47-K50 PolarHBondContact O-N 3.38Å; T48-K50 VanDerWaalsContact C-N 3.31Å; T48-K50 PolarHBondContact O-N 2.96Å; K50-K53 WeakPolarHBondContact O-CB 3.49Å; K50-K53 PolarHBondContact O-N 3.08Å; K50-Q54 PolarHBondContact O-N 2.9Å |
| 51 | T | 95.4 | Very high | 95.1 | Very high | 70 Ų | 70 | 108.3 Ų | 108.3 | 43% | 0.429 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.6 | -46.7 | 178.4 | -54.8 | 0 | 0 | 0 | 0 | 111.5 | E47 T48 K53 Q54 I55 | E47-T51 PolarHBondContact O-N 3.32Å; E47-T51 PolarHBondContact O-OG1 3.28Å; E47-T51 VanDerWaalsContact O-OG1 3.11Å; T48-T51 PolarHBondContact O-N 3.33Å; T51-K53 VanDerWaalsContact C-N 3.32Å; T51-K53 PolarHBondContact O-N 2.89Å; T51-Q54 PolarHBondContact O-N 2.87Å; T51-Q54 VanDerWaalsContact O-N 3.08Å; T51-I55 HydrophobicContact CG2-CD1 3.96Å; T51-I55 WeakPolarHBondContact O-CG1 3.25Å; T51-I55 PolarHBondContact O-N 3.48Å |
| 52 | V | 94.8 | Very high | 95.1 | Very high | 73 Ų | 73 | 105.2 Ų | 105.2 | 44% | 0.442 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.9 | -42.2 | 177 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | T48 Q54 I55 L56 | T48-V52 HydrophobicContact CG2-CG2 4.29Å; T48-V52 WeakPolarHBondContact O-CB 3.34Å; T48-V52 VanDerWaalsContact O-CG2 3.25Å; T48-V52 WeakPolarHBondContact O-CG2 3.41Å; T48-V52 PolarHBondContact O-N 2.88Å; V52-Q54 VanDerWaalsContact C-N 3.29Å; V52-Q54 PolarHBondContact O-N 2.96Å; V52-I55 PolarHBondContact O-N 3.42Å; V52-L56 HydrophobicContact CG1-CD1 3.99Å; V52-L56 HydrophobicContact CG1-CG 4.48Å; V52-L56 WeakPolarHBondContact O-CG 3.31Å; V52-L56 PolarHBondContact O-N 3.4Å |
| 53 | K | 95.2 | Very high | 95.2 | Very high | 126 Ų | 126 | 105.3 Ų | 105.3 | 55% | 0.548 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.7 | -37.2 | 175.1 | -83 | -176.5 | 175.9 | -169.9 | 0 | 112.9 | K49 K50 T51 K57 | K49-K53 WeakPolarHBondContact O-CB 3.37Å; K49-K53 WeakPolarHBondContact O-CG 3.46Å; K49-K53 PolarHBondContact O-N 3.05Å; K49-K53 VanDerWaalsContact O-N 3.09Å; K50-K53 WeakPolarHBondContact O-CB 3.49Å; K50-K53 PolarHBondContact O-N 3.08Å; T51-K53 VanDerWaalsContact C-N 3.32Å; T51-K53 PolarHBondContact O-N 2.89Å; K53-K57 WeakPolarHBondContact O-CG 3.43Å; K53-K57 PolarHBondContact O-N 3.31Å |
| 54 | Q | 95.1 | Very high | 95.2 | Very high | 106 Ų | 106 | 106.9 Ų | 106.9 | 50% | 0.495 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69.5 | -46.8 | 178.8 | -177.8 | 171.1 | -12.7 | 0 | 0 | 111.1 | K50 T51 V52 L56 K57 E58 | K50-Q54 PolarHBondContact O-N 2.9Å; T51-Q54 PolarHBondContact O-N 2.87Å; T51-Q54 VanDerWaalsContact O-N 3.08Å; V52-Q54 VanDerWaalsContact C-N 3.29Å; V52-Q54 PolarHBondContact O-N 2.96Å; Q54-L56 VanDerWaalsContact C-N 3.3Å; Q54-L56 PolarHBondContact O-N 3.19Å; Q54-K57 WeakPolarHBondContact O-CB 3.47Å; Q54-K57 PolarHBondContact O-N 3.36Å; Q54-K57 VanDerWaalsContact O-N 3.11Å; Q54-E58 WeakPolarHBondContact CG-OE1 3.39Å; Q54-E58 PolarHBondContact NE2-OE1 3Å; Q54-E58 PolarHBondContact O-N 3.41Å |
| 55 | I | 94.9 | Very high | 95.3 | Very high | 98 Ų | 98 | 106.5 Ų | 106.5 | 50% | 0.503 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58 | -43.7 | 176.7 | -66.6 | 167.7 | 0 | 0 | 0 | 111 | T51 V52 K57 E58 A59 | T51-I55 HydrophobicContact CG2-CD1 3.96Å; T51-I55 WeakPolarHBondContact O-CG1 3.25Å; T51-I55 PolarHBondContact O-N 3.48Å; V52-I55 PolarHBondContact O-N 3.42Å; I55-K57 VanDerWaalsContact C-N 3.35Å; I55-K57 PolarHBondContact O-N 2.95Å; I55-E58 PolarHBondContact O-N 2.99Å; I55-A59 WeakPolarHBondContact O-CB 3.34Å; I55-A59 PolarHBondContact O-N 3.11Å |
| 56 | L | 94.4 | Very high | 95.3 | Very high | 100 Ų | 100 | 107.1 Ų | 107.1 | 52% | 0.524 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 177.1 | -73.9 | 169.4 | 0 | 0 | 0 | 112.1 | V52 Q54 A59 D60 | V52-L56 HydrophobicContact CG1-CD1 3.99Å; V52-L56 HydrophobicContact CG1-CG 4.48Å; V52-L56 WeakPolarHBondContact O-CG 3.31Å; V52-L56 PolarHBondContact O-N 3.4Å; Q54-L56 VanDerWaalsContact C-N 3.3Å; Q54-L56 PolarHBondContact O-N 3.19Å; L56-A59 PolarHBondContact O-N 3.09Å; L56-D60 PolarHBondContact O-N 2.92Å |
| 57 | K | 95.2 | Very high | 95.4 | Very high | 155 Ų | 155 | 108.3 Ų | 108.3 | 67% | 0.674 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.2 | -41.4 | 176.2 | -76.3 | 179.9 | 176.3 | -169.1 | 0 | 112.8 | K53 Q54 I55 A59 D60 M61 | K53-K57 WeakPolarHBondContact O-CG 3.43Å; K53-K57 PolarHBondContact O-N 3.31Å; Q54-K57 WeakPolarHBondContact O-CB 3.47Å; Q54-K57 PolarHBondContact O-N 3.36Å; Q54-K57 VanDerWaalsContact O-N 3.11Å; I55-K57 VanDerWaalsContact C-N 3.35Å; I55-K57 PolarHBondContact O-N 2.95Å; K57-A59 VanDerWaalsContact C-N 3.34Å; K57-D60 PolarHBondContact O-N 3.17Å; K57-M61 WeakPolarHBondContact O-CB 3.37Å; K57-M61 PolarHBondContact O-N 3.47Å |
| 58 | E | 94.3 | Very high | 95.5 | Very high | 108 Ų | 108 | 104.2 Ų | 104.2 | 51% | 0.505 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.1 | -40.6 | 177.5 | -73.4 | 169.5 | -168.1 | 0 | 0 | 110.7 | Q54 I55 M61 A62 | Q54-E58 WeakPolarHBondContact CG-OE1 3.39Å; Q54-E58 PolarHBondContact NE2-OE1 3Å; Q54-E58 PolarHBondContact O-N 3.41Å; I55-E58 PolarHBondContact O-N 2.99Å; E58-M61 PolarHBondContact O-N 3.46Å; E58-A62 WeakPolarHBondContact O-CB 3.44Å; E58-A62 PolarHBondContact O-N 3.35Å |
| 59 | A | 93.9 | Very high | 95.6 | Very high | 57 Ų | 57 | 102.3 Ų | 102.3 | 47% | 0.471 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.7 | -44.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | I55 L56 K57 M61 A62 Q63 | I55-A59 WeakPolarHBondContact O-CB 3.34Å; I55-A59 PolarHBondContact O-N 3.11Å; L56-A59 PolarHBondContact O-N 3.09Å; K57-A59 VanDerWaalsContact C-N 3.34Å; A59-M61 VanDerWaalsContact C-N 3.3Å; A59-M61 PolarHBondContact O-N 2.97Å; A59-A62 PolarHBondContact O-N 3.49Å; A59-Q63 PolarHBondContact O-N 3.4Å |
| 60 | D | 95.5 | Very high | 95.8 | Very high | 95 Ų | 95 | 101.8 Ų | 101.8 | 51% | 0.508 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.6 | -40.8 | 175.4 | -71.3 | -21.8 | 0 | 0 | 0 | 111.2 | L56 K57 Q63 I64 | L56-D60 PolarHBondContact O-N 2.92Å; K57-D60 PolarHBondContact O-N 3.17Å; D60-Q63 PolarHBondContact O-N 3.45Å; D60-I64 VanDerWaalsContact O-CG1 3.31Å; D60-I64 WeakPolarHBondContact O-CG1 3.37Å; D60-I64 PolarHBondContact O-N 3.33Å; D60-I64 VanDerWaalsContact O-N 3.09Å |
| 61 | M | 94.7 | Very high | 95.8 | Very high | 135 Ų | 135 | 103.1 Ų | 103.1 | 67% | 0.665 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.2 | -44 | 178.5 | -171.3 | 161.8 | -73.2 | 0 | 0 | 111.9 | K57 E58 A59 Q63 I64 E65 | K57-M61 WeakPolarHBondContact O-CB 3.37Å; K57-M61 PolarHBondContact O-N 3.47Å; E58-M61 PolarHBondContact O-N 3.46Å; A59-M61 VanDerWaalsContact C-N 3.3Å; A59-M61 PolarHBondContact O-N 2.97Å; M61-Q63 VanDerWaalsContact C-N 3.3Å; M61-Q63 PolarHBondContact O-N 3.37Å; M61-I64 PolarHBondContact O-N 3.06Å; M61-E65 PolarHBondContact O-N 2.91Å |
| 62 | A | 95.5 | Very high | 96 | Very high | 54 Ų | 54 | 105.4 Ų | 105.4 | 45% | 0.446 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.1 | -40 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E58 A59 I64 E65 E66 | E58-A62 WeakPolarHBondContact O-CB 3.44Å; E58-A62 PolarHBondContact O-N 3.35Å; A59-A62 PolarHBondContact O-N 3.49Å; A62-I64 PolarHBondContact O-N 3.39Å; A62-E65 PolarHBondContact O-N 2.92Å; A62-E66 WeakPolarHBondContact O-CB 3.45Å; A62-E66 PolarHBondContact O-N 3.09Å |
| 63 | Q | 96.2 | Very high | 96.1 | Very high | 84 Ų | 84 | 107.3 Ų | 107.3 | 39% | 0.393 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.2 | -38.8 | 176 | -169.5 | -172.5 | 41.9 | 0 | 0 | 112.3 | A59 D60 M61 R67 | A59-Q63 PolarHBondContact O-N 3.4Å; D60-Q63 PolarHBondContact O-N 3.45Å; M61-Q63 VanDerWaalsContact C-N 3.3Å; M61-Q63 PolarHBondContact O-N 3.37Å; Q63-R67 WeakPolarHBondContact O-CB 3.43Å; Q63-R67 VanDerWaalsContact O-CG 3.3Å; Q63-R67 WeakPolarHBondContact O-CG 3.31Å; Q63-R67 PolarHBondContact O-N 3.45Å; Q63-R67 VanDerWaalsContact O-N 3.07Å |
| 64 | I | 95.8 | Very high | 96.3 | Very high | 114 Ų | 114 | 104.6 Ų | 104.6 | 59% | 0.585 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.8 | -43.2 | 176.7 | -68.7 | 165.1 | 0 | 0 | 0 | 110.2 | D60 M61 A62 R67 A68 | D60-I64 VanDerWaalsContact O-CG1 3.31Å; D60-I64 WeakPolarHBondContact O-CG1 3.37Å; D60-I64 PolarHBondContact O-N 3.33Å; D60-I64 VanDerWaalsContact O-N 3.09Å; M61-I64 PolarHBondContact O-N 3.06Å; A62-I64 PolarHBondContact O-N 3.39Å; I64-R67 PolarHBondContact O-N 3.28Å; I64-A68 WeakPolarHBondContact O-CB 3.45Å; I64-A68 PolarHBondContact O-N 2.81Å |
| 65 | E | 96.3 | Very high | 96.4 | Very high | 142 Ų | 142 | 105.4 Ų | 105.4 | 66% | 0.664 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.2 | -46.1 | 177.1 | -173.2 | 175.8 | -178.3 | 0 | 0 | 111.7 | M61 A62 R67 A68 G69 | M61-E65 PolarHBondContact O-N 2.91Å; A62-E65 PolarHBondContact O-N 2.92Å; E65-R67 PolarHBondContact O-N 3.19Å; E65-A68 PolarHBondContact O-N 3.44Å; E65-G69 PolarHBondContact O-N 2.93Å |
| 66 | E | 96.8 | Very high | 96.6 | Very high | 143 Ų | 143 | 104.3 Ų | 104.3 | 67% | 0.668 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -57.9 | -46.6 | 175.7 | -176.9 | -177.3 | -167.8 | 0 | 0 | 111.5 | A62 A68 G69 Q70 | A62-E66 WeakPolarHBondContact O-CB 3.45Å; A62-E66 PolarHBondContact O-N 3.09Å; E66-A68 VanDerWaalsContact C-N 3.34Å; E66-A68 PolarHBondContact O-N 3.18Å; E66-G69 PolarHBondContact O-N 2.9Å; E66-Q70 PolarHBondContact O-N 3.02Å |
| 67 | R | 97.4 | Very high | 96.7 | Very high | 145 Ų | 145 | 106.1 Ų | 106.1 | 55% | 0.547 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.8 | -38.3 | 177.2 | -74.1 | 175.3 | 178 | -178.4 | 3.1 | 112.5 | Q63 I64 E65 R71 | Q63-R67 WeakPolarHBondContact O-CB 3.43Å; Q63-R67 VanDerWaalsContact O-CG 3.3Å; Q63-R67 WeakPolarHBondContact O-CG 3.31Å; Q63-R67 PolarHBondContact O-N 3.45Å; Q63-R67 VanDerWaalsContact O-N 3.07Å; I64-R67 PolarHBondContact O-N 3.28Å; E65-R67 PolarHBondContact O-N 3.19Å; R67-R71 VanDerWaalsContact O-CG 3.31Å; R67-R71 WeakPolarHBondContact O-CG 3.25Å; R67-R71 PolarHBondContact O-N 3.35Å |
| 68 | A | 97.6 | Very high | 96.9 | Very high | 48 Ų | 48 | 104.5 Ų | 104.5 | 40% | 0.397 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.4 | -43 | 176 | 0 | 0 | 0 | 0 | 0 | 110.9 | I64 E65 E66 R71 L72 | I64-A68 WeakPolarHBondContact O-CB 3.45Å; I64-A68 PolarHBondContact O-N 2.81Å; E65-A68 PolarHBondContact O-N 3.44Å; E66-A68 VanDerWaalsContact C-N 3.34Å; E66-A68 PolarHBondContact O-N 3.18Å; A68-R71 PolarHBondContact O-N 3.14Å; A68-L72 WeakPolarHBondContact O-CG 3.39Å; A68-L72 PolarHBondContact O-N 3.41Å |
| 69 | G | 97.9 | Very high | 97.1 | Very high | 31 Ų | 31 | 105 Ų | 105 | 32% | 0.32 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.8 | -47.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E65 E66 R71 L72 L73 | E65-G69 PolarHBondContact O-N 2.93Å; E66-G69 PolarHBondContact O-N 2.9Å; G69-R71 PolarHBondContact O-N 3.42Å; G69-L72 PolarHBondContact O-N 3.39Å; G69-L73 WeakPolarHBondContact O-CG 3.3Å; G69-L73 PolarHBondContact O-N 3.07Å |
| 70 | Q | 97.8 | Very high | 97.3 | Very high | 105 Ų | 105 | 107 Ų | 107 | 49% | 0.491 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.8 | -45.6 | 177.7 | -171.8 | 59.8 | 50.7 | 0 | 0 | 111.9 | E66 L72 L73 D74 | E66-Q70 PolarHBondContact O-N 3.02Å; Q70-L72 VanDerWaalsContact C-N 3.28Å; Q70-L72 PolarHBondContact O-N 3.34Å; Q70-L73 PolarHBondContact O-N 2.97Å; Q70-D74 PolarHBondContact NE2-OD1 3.18Å; Q70-D74 PolarHBondContact O-N 3.36Å |
| 71 | R | 98 | Very high | 97.4 | Very high | 176 Ų | 176 | 107.8 Ų | 107.8 | 66% | 0.664 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.7 | -38 | 176.8 | -72.6 | 176.1 | -173 | -169.8 | 1.9 | 112.5 | R67 A68 G69 D74 M75 | R67-R71 VanDerWaalsContact O-CG 3.31Å; R67-R71 WeakPolarHBondContact O-CG 3.25Å; R67-R71 PolarHBondContact O-N 3.35Å; A68-R71 PolarHBondContact O-N 3.14Å; G69-R71 PolarHBondContact O-N 3.42Å; R71-D74 PolarHBondContact O-N 2.94Å; R71-M75 WeakPolarHBondContact O-CB 3.49Å; R71-M75 VanDerWaalsContact O-CG 3.25Å; R71-M75 WeakPolarHBondContact O-CG 3.45Å; R71-M75 PolarHBondContact O-N 3.17Å |
| 72 | L | 98.3 | Very high | 97.6 | Very high | 119 Ų | 119 | 108.5 Ų | 108.5 | 62% | 0.623 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.8 | -40.9 | 177.1 | -75.5 | 171.1 | 0 | 0 | 0 | 111.6 | A68 G69 Q70 M75 E76 | A68-L72 WeakPolarHBondContact O-CG 3.39Å; A68-L72 PolarHBondContact O-N 3.41Å; G69-L72 PolarHBondContact O-N 3.39Å; Q70-L72 VanDerWaalsContact C-N 3.28Å; Q70-L72 PolarHBondContact O-N 3.34Å; L72-M75 PolarHBondContact O-N 3Å; L72-E76 WeakPolarHBondContact O-CB 3.31Å; L72-E76 PolarHBondContact O-N 2.93Å |
| 73 | L | 98.2 | Very high | 97.7 | Very high | 113 Ų | 113 | 110.4 Ų | 110.4 | 59% | 0.592 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.5 | -47.9 | 174.8 | -68.5 | 172.8 | 0 | 0 | 0 | 111.3 | G69 Q70 M75 E76 E77 | G69-L73 WeakPolarHBondContact O-CG 3.3Å; G69-L73 PolarHBondContact O-N 3.07Å; Q70-L73 PolarHBondContact O-N 2.97Å; L73-M75 VanDerWaalsContact C-N 3.29Å; L73-M75 PolarHBondContact O-N 3.5Å; L73-E76 PolarHBondContact O-N 3.35Å; L73-E77 PolarHBondContact O-N 2.94Å |
| 74 | D | 98.3 | Very high | 97.8 | Very high | 68 Ų | 68 | 113.1 Ų | 113.1 | 36% | 0.364 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.6 | -41.3 | 178.2 | -58.5 | -17.7 | 0 | 0 | 0 | 111.1 | Q70 R71 Q78 | Q70-D74 PolarHBondContact NE2-OD1 3.18Å; Q70-D74 PolarHBondContact O-N 3.36Å; R71-D74 PolarHBondContact O-N 2.94Å; D74-Q78 WeakPolarHBondContact O-CG 3.33Å; D74-Q78 PolarHBondContact O-N 3.48Å |
| 75 | M | 97.9 | Very high | 97.9 | Very high | 124 Ų | 124 | 112.6 Ų | 112.6 | 61% | 0.611 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.3 | -40.5 | 176.9 | -76.9 | -178.1 | 72.5 | 0 | 0 | 112.6 | R71 L72 L73 Q78 K79 | R71-M75 WeakPolarHBondContact O-CB 3.49Å; R71-M75 VanDerWaalsContact O-CG 3.25Å; R71-M75 WeakPolarHBondContact O-CG 3.45Å; R71-M75 PolarHBondContact O-N 3.17Å; L72-M75 PolarHBondContact O-N 3Å; L73-M75 VanDerWaalsContact C-N 3.29Å; L73-M75 PolarHBondContact O-N 3.5Å; M75-Q78 PolarHBondContact O-N 2.89Å; M75-K79 WeakPolarHBondContact O-CB 3.43Å; M75-K79 PolarHBondContact O-N 3.28Å |
| 76 | E | 97.8 | Very high | 98 | Very high | 75 Ų | 75 | 110.8 Ų | 110.8 | 35% | 0.35 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.8 | -39.3 | 178 | -176.3 | 57.7 | -150.5 | 0 | 0 | 111 | L72 L73 K79 Q80 | L72-E76 WeakPolarHBondContact O-CB 3.31Å; L72-E76 PolarHBondContact O-N 2.93Å; L73-E76 PolarHBondContact O-N 3.35Å; E76-K79 PolarHBondContact O-N 2.85Å; E76-K79 IonicContact OE1-NZ 3.56Å; E76-K79 IonicContact OE2-NZ 3.43Å; E76-K79 PolarHBondContact OE2-NZ 3.16Å; E76-Q80 WeakPolarHBondContact O-CG 3.33Å; E76-Q80 PolarHBondContact O-N 2.95Å; E76-Q80 PolarHBondContact OE1-NE2 3.18Å; E76-Q80 VanDerWaalsContact OE1-NE2 3.14Å |
| 77 | E | 98.3 | Very high | 98.1 | Very high | 138 Ų | 138 | 108.9 Ų | 108.9 | 65% | 0.645 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.6 | -47.2 | 174 | -173.5 | 175.4 | -165.8 | 0 | 0 | 111.5 | L73 K79 Q80 H81 | L73-E77 PolarHBondContact O-N 2.94Å; E77-K79 VanDerWaalsContact C-N 3.3Å; E77-K79 PolarHBondContact O-N 2.94Å; E77-Q80 PolarHBondContact O-N 3.17Å; E77-H81 PolarHBondContact O-N 3.3Å |
| 78 | Q | 98.2 | Very high | 98.2 | Very high | 120 Ų | 120 | 105.9 Ų | 105.9 | 56% | 0.561 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.6 | -37.8 | 175.7 | -73.9 | 178.2 | 8.4 | 0 | 0 | 112.9 | D74 M75 R82 | D74-Q78 WeakPolarHBondContact O-CG 3.33Å; D74-Q78 PolarHBondContact O-N 3.48Å; M75-Q78 PolarHBondContact O-N 2.89Å; Q78-R82 WeakPolarHBondContact O-CG 3.34Å; Q78-R82 PolarHBondContact O-N 3.45Å |
| 79 | K | 98.3 | Very high | 98.2 | Very high | 118 Ų | 118 | 109 Ų | 109 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.5 | -45.8 | 176.1 | 177.5 | -167.9 | 161.2 | -154.6 | 0 | 110.6 | M75 E76 E77 H81 R82 Q83 | M75-K79 WeakPolarHBondContact O-CB 3.43Å; M75-K79 PolarHBondContact O-N 3.28Å; E76-K79 PolarHBondContact O-N 2.85Å; E76-K79 IonicContact OE1-NZ 3.56Å; E76-K79 IonicContact OE2-NZ 3.43Å; E76-K79 PolarHBondContact OE2-NZ 3.16Å; E77-K79 VanDerWaalsContact C-N 3.3Å; E77-K79 PolarHBondContact O-N 2.94Å; K79-H81 VanDerWaalsContact C-N 3.32Å; K79-H81 PolarHBondContact O-N 2.99Å; K79-R82 PolarHBondContact O-N 2.88Å; K79-Q83 WeakPolarHBondContact O-CB 3.49Å; K79-Q83 PolarHBondContact O-N 3.11Å |
| 80 | Q | 98.3 | Very high | 98.2 | Very high | 101 Ų | 101 | 113.1 Ų | 113.1 | 47% | 0.472 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.4 | -38.8 | 177.7 | -73.2 | 178.9 | 14.8 | 0 | 0 | 112.1 | E76 E77 Q83 K84 | E76-Q80 WeakPolarHBondContact O-CG 3.33Å; E76-Q80 PolarHBondContact O-N 2.95Å; E76-Q80 PolarHBondContact OE1-NE2 3.18Å; E76-Q80 VanDerWaalsContact OE1-NE2 3.14Å; E77-Q80 PolarHBondContact O-N 3.17Å; Q80-Q83 PolarHBondContact O-N 3.38Å; Q80-K84 WeakPolarHBondContact O-CG 3.37Å; Q80-K84 PolarHBondContact O-N 3.37Å; Q80-K84 VanDerWaalsContact O-N 3.17Å |
| 81 | H | 98.2 | Very high | 98.2 | Very high | 111 Ų | 111 | 112.3 Ų | 112.3 | 51% | 0.514 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.5 | -51.6 | 175.4 | -175.9 | 44.8 | 0 | 0 | 0 | 111.5 | E77 K79 Q83 K84 E85 | E77-H81 PolarHBondContact O-N 3.3Å; K79-H81 VanDerWaalsContact C-N 3.32Å; K79-H81 PolarHBondContact O-N 2.99Å; H81-Q83 VanDerWaalsContact C-N 3.27Å; H81-Q83 PolarHBondContact O-N 3.05Å; H81-K84 PolarHBondContact O-N 3.06Å; H81-K84 VanDerWaalsContact O-N 3.16Å; H81-E85 IonicContact CE1-OE1 3.75Å; H81-E85 IonicContact NE2-OE1 3.44Å; H81-E85 PolarHBondContact NE2-OE1 3.02Å; H81-E85 PolarHBondContact O-N 3.33Å; H81-E85 VanDerWaalsContact O-N 3.11Å |
| 82 | R | 98.1 | Very high | 98.2 | Very high | 149 Ų | 149 | 108.6 Ų | 108.6 | 56% | 0.562 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.4 | -35 | 177.2 | -75.4 | -171.1 | -72.2 | -179.8 | -4.5 | 113.1 | Q78 K79 K84 E85 L86 | Q78-R82 WeakPolarHBondContact O-CG 3.34Å; Q78-R82 PolarHBondContact O-N 3.45Å; K79-R82 PolarHBondContact O-N 2.88Å; R82-K84 VanDerWaalsContact C-N 3.35Å; R82-E85 PolarHBondContact O-N 3.28Å; R82-L86 WeakPolarHBondContact O-CG 3.33Å; R82-L86 PolarHBondContact O-N 3.41Å |
| 83 | Q | 98.3 | Very high | 98.2 | Very high | 95 Ų | 95 | 108.4 Ų | 108.4 | 44% | 0.444 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 176.4 | -177.7 | 58.4 | 35.1 | 0 | 0 | 111.3 | K79 Q80 H81 L86 E87 | K79-Q83 WeakPolarHBondContact O-CB 3.49Å; K79-Q83 PolarHBondContact O-N 3.11Å; Q80-Q83 PolarHBondContact O-N 3.38Å; H81-Q83 VanDerWaalsContact C-N 3.27Å; H81-Q83 PolarHBondContact O-N 3.05Å; Q83-L86 PolarHBondContact O-N 3.46Å; Q83-E87 WeakPolarHBondContact CG-OE1 3.38Å; Q83-E87 PolarHBondContact NE2-OE1 3.24Å; Q83-E87 WeakPolarHBondContact O-CG 3.39Å; Q83-E87 PolarHBondContact O-N 2.91Å |
| 84 | K | 98.3 | Very high | 98.2 | Very high | 140 Ų | 140 | 108.7 Ų | 108.7 | 61% | 0.609 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.7 | -40.1 | 175.5 | -70.3 | 176.3 | -177.1 | 175.4 | 0 | 112.5 | Q80 H81 R82 L86 E87 D88 | Q80-K84 WeakPolarHBondContact O-CG 3.37Å; Q80-K84 PolarHBondContact O-N 3.37Å; Q80-K84 VanDerWaalsContact O-N 3.17Å; H81-K84 PolarHBondContact O-N 3.06Å; H81-K84 VanDerWaalsContact O-N 3.16Å; R82-K84 VanDerWaalsContact C-N 3.35Å; K84-L86 VanDerWaalsContact C-N 3.32Å; K84-E87 PolarHBondContact O-N 2.87Å; K84-D88 PolarHBondContact O-N 3.45Å |
| 85 | E | 98.4 | Very high | 98.2 | Very high | 103 Ų | 103 | 112.1 Ų | 112.1 | 48% | 0.481 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.5 | -40.5 | 175.4 | -67.3 | 179.3 | 146.8 | 0 | 0 | 111.7 | H81 R82 D88 L89 | H81-E85 IonicContact CE1-OE1 3.75Å; H81-E85 IonicContact NE2-OE1 3.44Å; H81-E85 PolarHBondContact NE2-OE1 3.02Å; H81-E85 PolarHBondContact O-N 3.33Å; H81-E85 VanDerWaalsContact O-N 3.11Å; R82-E85 PolarHBondContact O-N 3.28Å; E85-D88 PolarHBondContact O-N 3.32Å; E85-L89 WeakPolarHBondContact O-CB 3.45Å; E85-L89 PolarHBondContact O-N 3.49Å |
| 86 | L | 98.4 | Very high | 98.2 | Very high | 105 Ų | 105 | 110.2 Ų | 110.2 | 55% | 0.55 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 175.7 | -77.6 | 170 | 0 | 0 | 0 | 111.9 | R82 Q83 K84 L89 E90 | R82-L86 WeakPolarHBondContact O-CG 3.33Å; R82-L86 PolarHBondContact O-N 3.41Å; Q83-L86 PolarHBondContact O-N 3.46Å; K84-L86 VanDerWaalsContact C-N 3.32Å; L86-L89 PolarHBondContact O-N 3.02Å; L86-E90 WeakPolarHBondContact O-CB 3.36Å; L86-E90 PolarHBondContact O-N 2.94Å |
| 87 | E | 98.4 | Very high | 98.2 | Very high | 103 Ų | 103 | 109.6 Ų | 109.6 | 48% | 0.481 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.3 | -44.3 | 177.2 | -74.5 | 165.3 | -166.9 | 0 | 0 | 111.8 | Q83 K84 E90 E91 | Q83-E87 WeakPolarHBondContact CG-OE1 3.38Å; Q83-E87 PolarHBondContact NE2-OE1 3.24Å; Q83-E87 WeakPolarHBondContact O-CG 3.39Å; Q83-E87 PolarHBondContact O-N 2.91Å; K84-E87 PolarHBondContact O-N 2.87Å; E87-E90 PolarHBondContact O-N 3.34Å; E87-E91 PolarHBondContact O-N 2.64Å |
| 88 | D | 98.4 | Very high | 98.2 | Very high | 82 Ų | 82 | 105.1 Ų | 105.1 | 44% | 0.439 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63 | -43.9 | 175.7 | -178 | 76.3 | 0 | 0 | 0 | 111.6 | K84 E85 E90 E91 Q92 | K84-D88 PolarHBondContact O-N 3.45Å; E85-D88 PolarHBondContact O-N 3.32Å; D88-E90 VanDerWaalsContact C-N 3.34Å; D88-E90 PolarHBondContact O-N 3.46Å; D88-E91 PolarHBondContact O-N 2.95Å; D88-Q92 WeakPolarHBondContact O-CG 3.36Å; D88-Q92 PolarHBondContact O-N 2.98Å; D88-Q92 PolarHBondContact OD2-NE2 3.45Å |
| 89 | L | 98.3 | Very high | 98.2 | Very high | 113 Ų | 113 | 106.5 Ų | 106.5 | 59% | 0.592 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.6 | -37.9 | 179.3 | -156.5 | 75 | 0 | 0 | 0 | 112 | E85 L86 Q92 L93 | E85-L89 WeakPolarHBondContact O-CB 3.45Å; E85-L89 PolarHBondContact O-N 3.49Å; L86-L89 PolarHBondContact O-N 3.02Å; L89-Q92 PolarHBondContact O-N 3.37Å; L89-L93 WeakPolarHBondContact O-CB 3.37Å; L89-L93 PolarHBondContact O-N 3.3Å |
| 90 | E | 98.3 | Very high | 98.2 | Very high | 118 Ų | 118 | 103.7 Ų | 103.7 | 55% | 0.551 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.2 | -42 | 175.4 | -171.9 | 171.4 | -173.8 | 0 | 0 | 111.2 | L86 E87 D88 L93 Q94 | L86-E90 WeakPolarHBondContact O-CB 3.36Å; L86-E90 PolarHBondContact O-N 2.94Å; E87-E90 PolarHBondContact O-N 3.34Å; D88-E90 VanDerWaalsContact C-N 3.34Å; D88-E90 PolarHBondContact O-N 3.46Å; E90-L93 PolarHBondContact O-N 2.91Å; E90-Q94 WeakPolarHBondContact O-CG 3.38Å; E90-Q94 PolarHBondContact O-N 2.98Å |
| 91 | E | 98.3 | Very high | 98.2 | Very high | 88 Ų | 88 | 104.7 Ų | 104.7 | 41% | 0.411 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 175.1 | -167 | -177.5 | -175.3 | 0 | 0 | 111.5 | E87 D88 L93 Q94 R95 | E87-E91 PolarHBondContact O-N 2.64Å; D88-E91 PolarHBondContact O-N 2.95Å; E91-L93 VanDerWaalsContact C-N 3.34Å; E91-L93 PolarHBondContact O-N 3.5Å; E91-Q94 PolarHBondContact O-N 3.31Å; E91-R95 WeakPolarHBondContact O-CG 3.36Å; E91-R95 PolarHBondContact O-N 2.91Å; E91-R95 IonicContact OE1-CZ 3.76Å; E91-R95 IonicContact OE1-NE 3.35Å; E91-R95 IonicContact OE1-NH2 3.69Å; E91-R95 PolarHBondContact OE1-NH2 3.4Å; E91-R95 IonicContact OE2-NH2 3.4Å; E91-R95 PolarHBondContact OE2-NH2 2.92Å |
| 92 | Q | 98.3 | Very high | 98.2 | Very high | 98 Ų | 98 | 104 Ų | 104 | 46% | 0.458 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 174.8 | -70.5 | -174 | 40.5 | 0 | 0 | 112 | D88 L89 R95 C96 | D88-Q92 WeakPolarHBondContact O-CG 3.36Å; D88-Q92 PolarHBondContact O-N 2.98Å; D88-Q92 PolarHBondContact OD2-NE2 3.45Å; L89-Q92 PolarHBondContact O-N 3.37Å; Q92-R95 PolarHBondContact O-N 2.86Å; Q92-C96 WeakPolarHBondContact O-CB 3.46Å; Q92-C96 PolarHBondContact O-N 3.28Å |
| 93 | L | 98.4 | Very high | 98.1 | Very high | 114 Ų | 114 | 100.1 Ų | 100.1 | 60% | 0.597 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.3 | -44.1 | 177.4 | -177.2 | 65.6 | 0 | 0 | 0 | 111.5 | L89 E90 E91 R95 C96 T97 | L89-L93 WeakPolarHBondContact O-CB 3.37Å; L89-L93 PolarHBondContact O-N 3.3Å; E90-L93 PolarHBondContact O-N 2.91Å; E91-L93 VanDerWaalsContact C-N 3.34Å; E91-L93 PolarHBondContact O-N 3.5Å; L93-R95 PolarHBondContact O-N 3.47Å; L93-C96 PolarHBondContact O-N 2.91Å; L93-T97 WeakPolarHBondContact O-CB 3.34Å; L93-T97 PolarHBondContact O-N 3.36Å; L93-T97 PolarHBondContact O-OG1 2.73Å |
| 94 | Q | 98.2 | Very high | 98.1 | Very high | 120 Ų | 120 | 99.4 Ų | 99.4 | 56% | 0.561 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.3 | -45.8 | 175.6 | -74.4 | -179.6 | 7.1 | 0 | 0 | 111.5 | E90 E91 C96 T97 A98 | E90-Q94 WeakPolarHBondContact O-CG 3.38Å; E90-Q94 PolarHBondContact O-N 2.98Å; E91-Q94 PolarHBondContact O-N 3.31Å; Q94-C96 PolarHBondContact O-N 3.41Å; Q94-T97 PolarHBondContact O-N 3.37Å; Q94-A98 WeakPolarHBondContact O-CB 3.34Å; Q94-A98 PolarHBondContact O-N 2.75Å |
| 95 | R | 98.1 | Very high | 98.1 | Very high | 140 Ų | 140 | 96.2 Ų | 96.2 | 53% | 0.528 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 176.4 | -70.9 | 173.7 | -174.1 | 171.2 | 1.9 | 112 | E91 Q92 L93 K99 | E91-R95 WeakPolarHBondContact O-CG 3.36Å; E91-R95 PolarHBondContact O-N 2.91Å; E91-R95 IonicContact OE1-CZ 3.76Å; E91-R95 IonicContact OE1-NE 3.35Å; E91-R95 IonicContact OE1-NH2 3.69Å; E91-R95 PolarHBondContact OE1-NH2 3.4Å; E91-R95 IonicContact OE2-NH2 3.4Å; E91-R95 PolarHBondContact OE2-NH2 2.92Å; Q92-R95 PolarHBondContact O-N 2.86Å; L93-R95 PolarHBondContact O-N 3.47Å; R95-K99 WeakPolarHBondContact O-CG 3.42Å; R95-K99 PolarHBondContact O-N 2.78Å; R95-K99 VanDerWaalsContact O-N 3.07Å |
| 96 | C | 97.6 | Very high | 98.1 | Very high | 83 Ų | 83 | 96.6 Ų | 96.6 | 56% | 0.561 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.8 | -43.5 | 177.7 | -168.9 | 0 | 0 | 0 | 0 | 111.5 | Q92 L93 Q94 K99 S100 | Q92-C96 WeakPolarHBondContact O-CB 3.46Å; Q92-C96 PolarHBondContact O-N 3.28Å; L93-C96 PolarHBondContact O-N 2.91Å; Q94-C96 PolarHBondContact O-N 3.41Å; C96-K99 PolarHBondContact O-N 3.35Å; C96-S100 PolarHBondContact O-N 3.47Å |
| 97 | T | 98.1 | Very high | 98.1 | Very high | 63 Ų | 63 | 95.5 Ų | 95.5 | 39% | 0.387 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 178.4 | -56.1 | 0 | 0 | 0 | 0 | 111.2 | L93 Q94 K99 S100 Q101 | L93-T97 WeakPolarHBondContact O-CB 3.34Å; L93-T97 PolarHBondContact O-N 3.36Å; L93-T97 PolarHBondContact O-OG1 2.73Å; Q94-T97 PolarHBondContact O-N 3.37Å; T97-K99 VanDerWaalsContact C-N 3.35Å; T97-K99 PolarHBondContact O-N 3.32Å; T97-S100 WeakPolarHBondContact O-CB 3.4Å; T97-S100 PolarHBondContact O-N 3.37Å; T97-Q101 WeakPolarHBondContact O-CG 3.48Å; T97-Q101 PolarHBondContact O-N 2.97Å |
| 98 | A | 97.9 | Very high | 98.1 | Very high | 44 Ų | 44 | 96.5 Ų | 96.5 | 36% | 0.364 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.3 | -43 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q94 Q101 I102 | Q94-A98 WeakPolarHBondContact O-CB 3.34Å; Q94-A98 PolarHBondContact O-N 2.75Å; A98-Q101 PolarHBondContact O-N 3.23Å; A98-I102 VanDerWaalsContact O-CG1 3.31Å; A98-I102 WeakPolarHBondContact O-CG1 3.39Å; A98-I102 PolarHBondContact O-N 3Å; A98-I102 VanDerWaalsContact O-N 3.08Å |
| 99 | K | 98 | Very high | 98.1 | Very high | 148 Ų | 148 | 99 Ų | 99 | 64% | 0.643 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.2 | -44.3 | 174.6 | -74.1 | 177.7 | -179.2 | -176.7 | 0 | 111.9 | R95 C96 T97 Q101 I102 T103 | R95-K99 WeakPolarHBondContact O-CG 3.42Å; R95-K99 PolarHBondContact O-N 2.78Å; R95-K99 VanDerWaalsContact O-N 3.07Å; C96-K99 PolarHBondContact O-N 3.35Å; T97-K99 VanDerWaalsContact C-N 3.35Å; T97-K99 PolarHBondContact O-N 3.32Å; K99-Q101 PolarHBondContact O-N 2.89Å; K99-I102 PolarHBondContact O-N 3.46Å; K99-T103 PolarHBondContact O-N 3.08Å; K99-T103 PolarHBondContact O-OG1 3.09Å; K99-T103 VanDerWaalsContact O-OG1 3.06Å |
| 100 | S | 98.1 | Very high | 98.1 | Very high | 60 Ų | 60 | 98.4 Ų | 98.4 | 42% | 0.42 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.2 | -48.3 | 176.8 | -167.5 | 0 | 0 | 0 | 0 | 111.2 | C96 T97 I102 T103 D104 | C96-S100 PolarHBondContact O-N 3.47Å; T97-S100 WeakPolarHBondContact O-CB 3.4Å; T97-S100 PolarHBondContact O-N 3.37Å; S100-I102 VanDerWaalsContact C-N 3.31Å; S100-I102 PolarHBondContact O-N 3.07Å; S100-T103 PolarHBondContact O-N 3.27Å; S100-D104 WeakPolarHBondContact O-CB 3.31Å; S100-D104 PolarHBondContact O-N 3.44Å; S100-D104 PolarHBondContact OG-OD2 3.44Å |
| 101 | Q | 97.9 | Very high | 98.1 | Very high | 121 Ų | 121 | 98.7 Ų | 98.7 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.1 | -38.7 | -179.8 | -72.2 | 175.9 | -13.4 | 0 | 0 | 112.9 | T97 A98 K99 S105 | T97-Q101 WeakPolarHBondContact O-CG 3.48Å; T97-Q101 PolarHBondContact O-N 2.97Å; A98-Q101 PolarHBondContact O-N 3.23Å; K99-Q101 PolarHBondContact O-N 2.89Å; Q101-S105 WeakPolarHBondContact O-CB 3.37Å; Q101-S105 PolarHBondContact O-N 3.06Å; Q101-S105 VanDerWaalsContact O-N 3.09Å; Q101-S105 PolarHBondContact O-OG 3.38Å |
| 102 | I | 97.6 | Very high | 98.1 | Very high | 98 Ų | 98 | 99.1 Ų | 99.1 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.4 | -51.5 | 175.4 | -67.9 | 165.1 | 0 | 0 | 0 | 109.8 | A98 K99 S100 D104 S105 E106 | A98-I102 VanDerWaalsContact O-CG1 3.31Å; A98-I102 WeakPolarHBondContact O-CG1 3.39Å; A98-I102 PolarHBondContact O-N 3Å; A98-I102 VanDerWaalsContact O-N 3.08Å; K99-I102 PolarHBondContact O-N 3.46Å; S100-I102 VanDerWaalsContact C-N 3.31Å; S100-I102 PolarHBondContact O-N 3.07Å; I102-D104 VanDerWaalsContact C-N 3.32Å; I102-D104 PolarHBondContact O-N 3.32Å; I102-S105 WeakPolarHBondContact O-CB 3.39Å; I102-S105 PolarHBondContact O-N 2.91Å; I102-S105 VanDerWaalsContact O-N 3.12Å; I102-E106 PolarHBondContact O-N 3.46Å |
| 103 | T | 97.8 | Very high | 98.1 | Very high | 67 Ų | 67 | 99 Ų | 99 | 41% | 0.411 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.8 | -40.7 | 179.5 | -55.2 | 0 | 0 | 0 | 0 | 112 | K99 S100 S105 E106 I107 | K99-T103 PolarHBondContact O-N 3.08Å; K99-T103 PolarHBondContact O-OG1 3.09Å; K99-T103 VanDerWaalsContact O-OG1 3.06Å; S100-T103 PolarHBondContact O-N 3.27Å; T103-S105 VanDerWaalsContact C-N 3.28Å; T103-S105 PolarHBondContact O-N 3.25Å; T103-E106 PolarHBondContact O-N 2.89Å; T103-I107 HydrophobicContact CG2-CD1 4.07Å; T103-I107 HydrophobicContact CG2-CG1 4.5Å; T103-I107 VanDerWaalsContact O-CG1 3.32Å; T103-I107 WeakPolarHBondContact O-CG1 3.47Å; T103-I107 PolarHBondContact O-N 3.12Å |
| 104 | D | 98.3 | Very high | 98.1 | Very high | 80 Ų | 80 | 97.6 Ų | 97.6 | 43% | 0.428 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.1 | -39.2 | 177.1 | -69.7 | -29.3 | 0 | 0 | 0 | 111.2 | S100 I102 I107 Q108 | S100-D104 WeakPolarHBondContact O-CB 3.31Å; S100-D104 PolarHBondContact O-N 3.44Å; S100-D104 PolarHBondContact OG-OD2 3.44Å; I102-D104 VanDerWaalsContact C-N 3.32Å; I102-D104 PolarHBondContact O-N 3.32Å; D104-I107 PolarHBondContact O-N 3.07Å; D104-Q108 WeakPolarHBondContact O-CG 3.32Å; D104-Q108 PolarHBondContact O-N 2.97Å; D104-Q108 VanDerWaalsContact O-N 3.07Å |
| 105 | S | 97.9 | Very high | 98.1 | Very high | 73 Ų | 73 | 95.8 Ų | 95.8 | 51% | 0.51 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.3 | -41.8 | 175.5 | -55.7 | 0 | 0 | 0 | 0 | 111.8 | Q101 I102 T103 Q108 F109 | Q101-S105 WeakPolarHBondContact O-CB 3.37Å; Q101-S105 PolarHBondContact O-N 3.06Å; Q101-S105 VanDerWaalsContact O-N 3.09Å; Q101-S105 PolarHBondContact O-OG 3.38Å; I102-S105 WeakPolarHBondContact O-CB 3.39Å; I102-S105 PolarHBondContact O-N 2.91Å; I102-S105 VanDerWaalsContact O-N 3.12Å; T103-S105 VanDerWaalsContact C-N 3.28Å; T103-S105 PolarHBondContact O-N 3.25Å; S105-Q108 PolarHBondContact O-N 2.92Å; S105-F109 WeakPolarHBondContact O-CB 3.42Å; S105-F109 PolarHBondContact O-N 3.38Å |
| 106 | E | 98 | Very high | 98 | Very high | 111 Ų | 111 | 92 Ų | 92 | 52% | 0.519 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 174.8 | -73.1 | 178 | -175.6 | 0 | 0 | 111.7 | I102 T103 F109 L110 | I102-E106 PolarHBondContact O-N 3.46Å; T103-E106 PolarHBondContact O-N 2.89Å; E106-F109 PolarHBondContact O-N 2.81Å; E106-L110 WeakPolarHBondContact O-CB 3.45Å; E106-L110 WeakPolarHBondContact O-CG 3.32Å; E106-L110 PolarHBondContact O-N 3.41Å |
| 107 | I | 98.3 | Very high | 98.1 | Very high | 81 Ų | 81 | 91.8 Ų | 91.8 | 42% | 0.415 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.5 | -46.9 | 176.5 | -72 | 168.8 | 0 | 0 | 0 | 110.7 | T103 D104 F109 L110 Q111 | T103-I107 HydrophobicContact CG2-CD1 4.07Å; T103-I107 HydrophobicContact CG2-CG1 4.5Å; T103-I107 VanDerWaalsContact O-CG1 3.32Å; T103-I107 WeakPolarHBondContact O-CG1 3.47Å; T103-I107 PolarHBondContact O-N 3.12Å; D104-I107 PolarHBondContact O-N 3.07Å; I107-F109 VanDerWaalsContact C-N 3.31Å; I107-F109 PolarHBondContact O-N 3.22Å; I107-L110 PolarHBondContact O-N 3.43Å; I107-Q111 HydrophobicContact CG2-CG 4.35Å; I107-Q111 WeakPolarHBondContact O-CB 3.41Å; I107-Q111 VanDerWaalsContact O-CG 3.25Å; I107-Q111 WeakPolarHBondContact O-CG 3.49Å; I107-Q111 PolarHBondContact O-N 3.36Å |
| 108 | Q | 98.2 | Very high | 98.1 | Very high | 125 Ų | 125 | 94.8 Ų | 94.8 | 58% | 0.584 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.2 | -40 | 178.2 | -73.2 | 178.4 | 3.8 | 0 | 0 | 112.1 | D104 S105 T112 | D104-Q108 WeakPolarHBondContact O-CG 3.32Å; D104-Q108 PolarHBondContact O-N 2.97Å; D104-Q108 VanDerWaalsContact O-N 3.07Å; S105-Q108 PolarHBondContact O-N 2.92Å; Q108-T112 PolarHBondContact O-N 2.98Å; Q108-T112 VanDerWaalsContact O-N 3.09Å; Q108-T112 PolarHBondContact O-OG1 3.37Å |
| 109 | F | 98.2 | Very high | 98 | Very high | 133 Ų | 133 | 95.6 Ų | 95.6 | 58% | 0.583 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.5 | -52.9 | 175 | 176 | -95.3 | 0 | 0 | 0 | 111.2 | S105 E106 I107 Q111 T112 E113 | S105-F109 WeakPolarHBondContact O-CB 3.42Å; S105-F109 PolarHBondContact O-N 3.38Å; E106-F109 PolarHBondContact O-N 2.81Å; I107-F109 VanDerWaalsContact C-N 3.31Å; I107-F109 PolarHBondContact O-N 3.22Å; F109-Q111 VanDerWaalsContact C-N 3.32Å; F109-Q111 PolarHBondContact O-N 2.86Å; F109-T112 WeakPolarHBondContact O-CB 3.25Å; F109-T112 PolarHBondContact O-N 3.1Å; F109-T112 VanDerWaalsContact O-N 3.1Å; F109-E113 WeakPolarHBondContact CE1-OE2 3.42Å; F109-E113 PolarHBondContact O-N 2.9Å |
| 110 | L | 98.3 | Very high | 98 | Very high | 101 Ų | 101 | 91.9 Ų | 91.9 | 53% | 0.529 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63 | -36.3 | -179.6 | -69.9 | 174.3 | 0 | 0 | 0 | 112.7 | E106 I107 T112 E113 L114 | E106-L110 WeakPolarHBondContact O-CB 3.45Å; E106-L110 WeakPolarHBondContact O-CG 3.32Å; E106-L110 PolarHBondContact O-N 3.41Å; I107-L110 PolarHBondContact O-N 3.43Å; L110-T112 VanDerWaalsContact C-N 3.32Å; L110-E113 PolarHBondContact O-N 3.35Å; L110-L114 WeakPolarHBondContact O-CB 3.22Å; L110-L114 PolarHBondContact O-N 2.95Å |
| 111 | Q | 98.3 | Very high | 97.9 | Very high | 125 Ų | 125 | 95 Ų | 95 | 58% | 0.584 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.5 | -41.6 | 174.1 | -77.3 | 174.8 | -12 | 0 | 0 | 111.8 | I107 F109 L114 E115 | I107-Q111 HydrophobicContact CG2-CG 4.35Å; I107-Q111 WeakPolarHBondContact O-CB 3.41Å; I107-Q111 VanDerWaalsContact O-CG 3.25Å; I107-Q111 WeakPolarHBondContact O-CG 3.49Å; I107-Q111 PolarHBondContact O-N 3.36Å; F109-Q111 VanDerWaalsContact C-N 3.32Å; F109-Q111 PolarHBondContact O-N 2.86Å; Q111-L114 PolarHBondContact O-N 3.5Å; Q111-E115 PolarHBondContact O-N 3.42Å |
| 112 | T | 98.1 | Very high | 97.9 | Very high | 97 Ų | 97 | 94.7 Ų | 94.7 | 60% | 0.595 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -66.2 | -44.2 | 177.6 | -55.4 | 0 | 0 | 0 | 0 | 111 | Q108 F109 L110 E115 S116 | Q108-T112 PolarHBondContact O-N 2.98Å; Q108-T112 VanDerWaalsContact O-N 3.09Å; Q108-T112 PolarHBondContact O-OG1 3.37Å; F109-T112 WeakPolarHBondContact O-CB 3.25Å; F109-T112 PolarHBondContact O-N 3.1Å; F109-T112 VanDerWaalsContact O-N 3.1Å; L110-T112 VanDerWaalsContact C-N 3.32Å; T112-E115 PolarHBondContact O-N 3.09Å; T112-S116 PolarHBondContact O-N 2.89Å |
| 113 | E | 98.1 | Very high | 97.9 | Very high | 95 Ų | 95 | 96.1 Ų | 96.1 | 44% | 0.444 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 177 | -167.7 | 175.4 | -170.8 | 0 | 0 | 111.1 | F109 L110 E115 S116 V117 | F109-E113 WeakPolarHBondContact CE1-OE2 3.42Å; F109-E113 PolarHBondContact O-N 2.9Å; L110-E113 PolarHBondContact O-N 3.35Å; E113-E115 PolarHBondContact O-N 3.31Å; E113-S116 WeakPolarHBondContact O-CB 3.44Å; E113-S116 PolarHBondContact O-N 3.01Å; E113-S116 VanDerWaalsContact O-N 3.16Å; E113-S116 PolarHBondContact O-OG 3.38Å; E113-V117 WeakPolarHBondContact O-CG2 3.46Å; E113-V117 PolarHBondContact O-N 3.42Å |
| 114 | L | 98.2 | Very high | 97.8 | Very high | 85 Ų | 85 | 98.3 Ų | 98.3 | 45% | 0.445 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 177.9 | -176.6 | 145.2 | 0 | 0 | 0 | 112.6 | L110 Q111 S116 V117 R118 | L110-L114 WeakPolarHBondContact O-CB 3.22Å; L110-L114 PolarHBondContact O-N 2.95Å; Q111-L114 PolarHBondContact O-N 3.5Å; L114-S116 VanDerWaalsContact C-N 3.35Å; L114-V117 PolarHBondContact O-N 3.01Å; L114-R118 WeakPolarHBondContact O-CG 3.48Å; L114-R118 PolarHBondContact O-N 2.94Å |
| 115 | E | 98.1 | Very high | 97.7 | Very high | 82 Ų | 82 | 100.1 Ų | 100.1 | 38% | 0.383 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.4 | -37.6 | 175 | -165.3 | 59.5 | -150.4 | 0 | 0 | 111.6 | Q111 T112 E113 V117 R118 N119 R122 | Q111-E115 PolarHBondContact O-N 3.42Å; T112-E115 PolarHBondContact O-N 3.09Å; E113-E115 PolarHBondContact O-N 3.31Å; E115-V117 PolarHBondContact O-N 3.02Å; E115-R118 PolarHBondContact O-N 2.64Å; E115-R118 IonicContact OE2-NH1 2.83Å; E115-N119 VanDerWaalsContact O-CG 3.25Å; E115-N119 PolarHBondContact O-N 3.2Å; E115-N119 PolarHBondContact O-ND2 3.29Å; E115-R122 IonicContact OE1-NH2 3.52Å; E115-R122 PolarHBondContact OE1-NH2 3.4Å |
| 116 | S | 97.9 | Very high | 97.5 | Very high | 59 Ų | 59 | 100.4 Ų | 100.4 | 41% | 0.413 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62 | -43.6 | 174.7 | 80.1 | 0 | 0 | 0 | 0 | 111.8 | T112 E113 L114 N119 T120 | T112-S116 PolarHBondContact O-N 2.89Å; E113-S116 WeakPolarHBondContact O-CB 3.44Å; E113-S116 PolarHBondContact O-N 3.01Å; E113-S116 VanDerWaalsContact O-N 3.16Å; E113-S116 PolarHBondContact O-OG 3.38Å; L114-S116 VanDerWaalsContact C-N 3.35Å; S116-N119 WeakPolarHBondContact O-CB 3.37Å; S116-N119 PolarHBondContact O-N 3.16Å; S116-T120 WeakPolarHBondContact O-CG2 3.46Å; S116-T120 PolarHBondContact O-N 2.97Å |
| 117 | V | 97.9 | Very high | 97.3 | Very high | 80 Ų | 80 | 99.6 Ų | 99.6 | 49% | 0.485 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 177.7 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | E113 L114 E115 N119 T120 E121 | E113-V117 WeakPolarHBondContact O-CG2 3.46Å; E113-V117 PolarHBondContact O-N 3.42Å; L114-V117 PolarHBondContact O-N 3.01Å; E115-V117 PolarHBondContact O-N 3.02Å; V117-N119 VanDerWaalsContact C-N 3.27Å; V117-N119 PolarHBondContact O-N 3.44Å; V117-T120 WeakPolarHBondContact CA-OG1 3.47Å; V117-T120 PolarHBondContact O-N 2.92Å; V117-T120 VanDerWaalsContact O-N 3.15Å; V117-T120 PolarHBondContact O-OG1 3.48Å; V117-E121 WeakPolarHBondContact O-CB 3.4Å; V117-E121 PolarHBondContact O-N 3.38Å |
| 118 | R | 98 | Very high | 97 | Very high | 125 Ų | 125 | 101.6 Ų | 101.6 | 47% | 0.472 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.8 | -36.4 | 175.1 | -76.3 | 175.5 | 170.3 | 168.6 | -1.9 | 113.1 | L114 E115 R122 | L114-R118 WeakPolarHBondContact O-CG 3.48Å; L114-R118 PolarHBondContact O-N 2.94Å; E115-R118 PolarHBondContact O-N 2.64Å; E115-R118 IonicContact OE2-NH1 2.83Å; R118-R122 PolarHBondContact O-N 2.82Å; R118-R122 VanDerWaalsContact O-N 3.09Å |
| 119 | N | 97.8 | Very high | 96.5 | Very high | 61 Ų | 61 | 100.1 Ų | 100.1 | 33% | 0.326 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.2 | -47.4 | 174.7 | -70 | -25.4 | 0 | 0 | 0 | 110.8 | E115 S116 V117 E121 R122 E123 | E115-N119 VanDerWaalsContact O-CG 3.25Å; E115-N119 PolarHBondContact O-N 3.2Å; E115-N119 PolarHBondContact O-ND2 3.29Å; S116-N119 WeakPolarHBondContact O-CB 3.37Å; S116-N119 PolarHBondContact O-N 3.16Å; V117-N119 VanDerWaalsContact C-N 3.27Å; V117-N119 PolarHBondContact O-N 3.44Å; N119-E121 VanDerWaalsContact C-N 3.31Å; N119-E121 PolarHBondContact O-N 2.97Å; N119-R122 PolarHBondContact O-N 2.75Å; N119-R122 PolarHBondContact OD1-NH1 3.48Å; N119-R122 PolarHBondContact OD1-NH2 2.85Å; N119-E123 WeakPolarHBondContact O-CG 3.47Å; N119-E123 PolarHBondContact O-N 3.15Å |
| 120 | T | 96.8 | Very high | 96 | Very high | 70 Ų | 70 | 99.2 Ų | 99.2 | 43% | 0.429 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.5 | -35.7 | 177.1 | 59.7 | 0 | 0 | 0 | 0 | 112.9 | S116 V117 E123 L124 | S116-T120 WeakPolarHBondContact O-CG2 3.46Å; S116-T120 PolarHBondContact O-N 2.97Å; V117-T120 WeakPolarHBondContact CA-OG1 3.47Å; V117-T120 PolarHBondContact O-N 2.92Å; V117-T120 VanDerWaalsContact O-N 3.15Å; V117-T120 PolarHBondContact O-OG1 3.48Å; T120-E123 PolarHBondContact O-N 3.26Å; T120-L124 WeakPolarHBondContact O-CB 3.41Å; T120-L124 VanDerWaalsContact O-CG 3.31Å; T120-L124 WeakPolarHBondContact O-CG 3.45Å; T120-L124 PolarHBondContact O-N 3.09Å |
| 121 | E | 97.1 | Very high | 95.4 | Very high | 125 Ų | 125 | 98 Ų | 98 | 58% | 0.584 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.3 | -46.2 | 175.6 | -177.4 | 177.4 | -152.9 | 0 | 0 | 111.1 | V117 N119 E123 L124 E125 | V117-E121 WeakPolarHBondContact O-CB 3.4Å; V117-E121 PolarHBondContact O-N 3.38Å; N119-E121 VanDerWaalsContact C-N 3.31Å; N119-E121 PolarHBondContact O-N 2.97Å; E121-E123 PolarHBondContact O-N 3.33Å; E121-L124 PolarHBondContact O-N 2.71Å; E121-E125 WeakPolarHBondContact O-CB 3.35Å; E121-E125 PolarHBondContact O-N 3.04Å |
| 122 | R | 97.3 | Very high | 94.8 | Very high | 116 Ų | 116 | 95.4 Ų | 95.4 | 44% | 0.438 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 174.9 | -81.3 | -174.1 | -99.2 | 97.9 | -2.6 | 112.4 | E115 R118 N119 E125 T126 | E115-R122 IonicContact OE1-NH2 3.52Å; E115-R122 PolarHBondContact OE1-NH2 3.4Å; R118-R122 PolarHBondContact O-N 2.82Å; R118-R122 VanDerWaalsContact O-N 3.09Å; N119-R122 PolarHBondContact O-N 2.75Å; N119-R122 PolarHBondContact OD1-NH1 3.48Å; N119-R122 PolarHBondContact OD1-NH2 2.85Å; R122-E125 PolarHBondContact O-N 3.41Å; R122-T126 WeakPolarHBondContact O-CG2 3.5Å; R122-T126 PolarHBondContact O-N 3.32Å; R122-T126 PolarHBondContact O-OG1 3.5Å |
| 123 | E | 96.9 | Very high | 93.9 | Very high | 127 Ų | 127 | 96.8 Ų | 96.8 | 59% | 0.593 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.8 | -43.4 | 176 | -72.7 | 172.1 | -168.9 | 0 | 0 | 111.6 | N119 T120 E121 T126 L127 | N119-E123 WeakPolarHBondContact O-CG 3.47Å; N119-E123 PolarHBondContact O-N 3.15Å; T120-E123 PolarHBondContact O-N 3.26Å; E121-E123 PolarHBondContact O-N 3.33Å; E123-T126 WeakPolarHBondContact CA-OG1 3.31Å; E123-T126 PolarHBondContact O-N 2.68Å; E123-T126 PolarHBondContact O-OG1 3.02Å; E123-L127 PolarHBondContact O-N 3.37Å |
| 124 | L | 96.4 | Very high | 92.9 | Very high | 114 Ų | 114 | 96.9 Ų | 96.9 | 60% | 0.597 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.9 | -40.4 | 176.4 | -74 | 173.7 | 0 | 0 | 0 | 112.4 | T120 E121 T126 L127 Q128 | T120-L124 WeakPolarHBondContact O-CB 3.41Å; T120-L124 VanDerWaalsContact O-CG 3.31Å; T120-L124 WeakPolarHBondContact O-CG 3.45Å; T120-L124 PolarHBondContact O-N 3.09Å; E121-L124 PolarHBondContact O-N 2.71Å; L124-T126 VanDerWaalsContact C-N 3.34Å; L124-T126 PolarHBondContact O-N 3.33Å; L124-L127 PolarHBondContact O-N 2.9Å; L124-Q128 WeakPolarHBondContact O-CB 3.46Å; L124-Q128 PolarHBondContact O-N 3.01Å |
| 125 | E | 95.7 | Very high | 91.7 | Very high | 118 Ų | 118 | 96.3 Ų | 96.3 | 55% | 0.551 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.9 | -42.3 | 175.8 | -173.5 | 178.3 | -162 | 0 | 0 | 111.2 | E121 R122 Q128 N129 | E121-E125 WeakPolarHBondContact O-CB 3.35Å; E121-E125 PolarHBondContact O-N 3.04Å; R122-E125 PolarHBondContact O-N 3.41Å; E125-Q128 PolarHBondContact O-N 3.02Å; E125-N129 PolarHBondContact O-N 2.85Å; E125-N129 PolarHBondContact O-ND2 3.1Å; E125-N129 VanDerWaalsContact O-ND2 3.12Å |
| 126 | T | 94.6 | Very high | 90.4 | Very high | 79 Ų | 79 | 96.4 Ų | 96.4 | 49% | 0.485 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.5 | -45.6 | 175.1 | 52.3 | 0 | 0 | 0 | 0 | 112.1 | R122 E123 L124 Q128 N129 E130 | R122-T126 WeakPolarHBondContact O-CG2 3.5Å; R122-T126 PolarHBondContact O-N 3.32Å; R122-T126 PolarHBondContact O-OG1 3.5Å; E123-T126 WeakPolarHBondContact CA-OG1 3.31Å; E123-T126 PolarHBondContact O-N 2.68Å; E123-T126 PolarHBondContact O-OG1 3.02Å; L124-T126 VanDerWaalsContact C-N 3.34Å; L124-T126 PolarHBondContact O-N 3.33Å; T126-Q128 VanDerWaalsContact C-N 3.31Å; T126-Q128 PolarHBondContact O-N 3.35Å; T126-N129 PolarHBondContact O-N 3.29Å; T126-E130 WeakPolarHBondContact O-CG 3.47Å; T126-E130 PolarHBondContact O-N 3.45Å |
| 127 | L | 93 | Very high | 89.1 | Confident | 94 Ų | 94 | 100.1 Ų | 100.1 | 49% | 0.492 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.8 | -37.3 | 179 | -173.3 | 67 | 0 | 0 | 0 | 111.7 | E123 L124 E130 V131 | E123-L127 PolarHBondContact O-N 3.37Å; L124-L127 PolarHBondContact O-N 2.9Å; L127-E130 PolarHBondContact O-N 2.85Å; L127-V131 WeakPolarHBondContact O-CG2 3.36Å; L127-V131 PolarHBondContact O-N 3.16Å |
| 128 | Q | 91.1 | Very high | 88 | Confident | 122 Ų | 122 | 100 Ų | 100 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.3 | -45.1 | 176 | -178.2 | 165.7 | 16.8 | 0 | 0 | 111.3 | L124 E125 T126 E130 V131 D132 | L124-Q128 WeakPolarHBondContact O-CB 3.46Å; L124-Q128 PolarHBondContact O-N 3.01Å; E125-Q128 PolarHBondContact O-N 3.02Å; T126-Q128 VanDerWaalsContact C-N 3.31Å; T126-Q128 PolarHBondContact O-N 3.35Å; Q128-E130 VanDerWaalsContact C-N 3.34Å; Q128-E130 PolarHBondContact O-N 3.06Å; Q128-V131 PolarHBondContact O-N 3.26Å; Q128-D132 WeakPolarHBondContact O-CB 3.37Å; Q128-D132 PolarHBondContact O-N 3.42Å |
| 129 | N | 89.1 | Confident | 86.8 | Confident | 94 Ų | 94 | 98.7 Ų | 98.7 | 50% | 0.503 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 176.9 | -70.6 | -36.8 | 0 | 0 | 0 | 112.3 | E125 T126 D132 E133 | E125-N129 PolarHBondContact O-N 2.85Å; E125-N129 PolarHBondContact O-ND2 3.1Å; E125-N129 VanDerWaalsContact O-ND2 3.12Å; T126-N129 PolarHBondContact O-N 3.29Å; N129-D132 PolarHBondContact O-N 3.38Å; N129-E133 PolarHBondContact O-N 3.48Å |
| 130 | E | 87.8 | Confident | 85.8 | Confident | 114 Ų | 114 | 98.9 Ų | 98.9 | 53% | 0.533 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.1 | -46.2 | 175.2 | -71.7 | 175.9 | -174.9 | 0 | 0 | 111.7 | T126 L127 Q128 D132 E133 D134 | T126-E130 WeakPolarHBondContact O-CG 3.47Å; T126-E130 PolarHBondContact O-N 3.45Å; L127-E130 PolarHBondContact O-N 2.85Å; Q128-E130 VanDerWaalsContact C-N 3.34Å; Q128-E130 PolarHBondContact O-N 3.06Å; E130-D132 VanDerWaalsContact C-N 3.34Å; E130-D132 PolarHBondContact O-N 2.93Å; E130-E133 PolarHBondContact O-N 3.37Å; E130-D134 PolarHBondContact O-N 3.12Å; E130-D134 VanDerWaalsContact O-N 3.1Å |
| 131 | V | 85.9 | Confident | 85 | Confident | 75 Ų | 75 | 98.8 Ų | 98.8 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.7 | -39.8 | 177.6 | 170.5 | 0 | 0 | 0 | 0 | 111.5 | L127 Q128 D134 T135 | L127-V131 WeakPolarHBondContact O-CG2 3.36Å; L127-V131 PolarHBondContact O-N 3.16Å; Q128-V131 PolarHBondContact O-N 3.26Å; V131-D134 PolarHBondContact O-N 2.75Å; V131-T135 WeakPolarHBondContact O-CB 3.22Å; V131-T135 PolarHBondContact O-N 3.03Å; V131-T135 PolarHBondContact O-OG1 2.92Å |
| 132 | D | 84.1 | Confident | 84.4 | Confident | 72 Ų | 72 | 95.6 Ų | 95.6 | 39% | 0.385 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.5 | -42.8 | 177.8 | -77 | -19.4 | 0 | 0 | 0 | 110.7 | Q128 N129 E130 T135 T136 | Q128-D132 WeakPolarHBondContact O-CB 3.37Å; Q128-D132 PolarHBondContact O-N 3.42Å; N129-D132 PolarHBondContact O-N 3.38Å; E130-D132 VanDerWaalsContact C-N 3.34Å; E130-D132 PolarHBondContact O-N 2.93Å; D132-T135 PolarHBondContact O-N 2.87Å; D132-T136 VanDerWaalsContact O-CB 3.26Å; D132-T136 WeakPolarHBondContact O-CB 3.4Å; D132-T136 WeakPolarHBondContact O-CG2 3.41Å; D132-T136 PolarHBondContact O-N 2.83Å; D132-T136 PolarHBondContact O-OG1 3.29Å |
| 133 | E | 80.3 | Confident | 83.8 | Confident | 126 Ų | 126 | 93.5 Ų | 93.5 | 59% | 0.589 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58.1 | -50.2 | 174.4 | -176 | 174.4 | -177 | 0 | 0 | 111.6 | N129 E130 T135 E137 V138 | N129-E133 PolarHBondContact O-N 3.48Å; E130-E133 PolarHBondContact O-N 3.37Å; E133-T135 VanDerWaalsContact C-N 3.35Å; E133-T135 PolarHBondContact O-N 3.38Å; E133-E137 WeakPolarHBondContact O-CB 3.32Å; E133-E137 PolarHBondContact O-N 3.22Å; E133-V138 PolarHBondContact O-N 3.21Å |
| 134 | D | 76.8 | Confident | 83.3 | Confident | 97 Ų | 97 | 94.7 Ų | 94.7 | 52% | 0.519 | 51% | 0.508 | S | S | . | . | I | π-helix | trans | -61.7 | -42.7 | 179.1 | -81 | -15.7 | 0 | 0 | 0 | 112.1 | E130 V131 I139 | E130-D134 PolarHBondContact O-N 3.12Å; E130-D134 VanDerWaalsContact O-N 3.1Å; V131-D134 PolarHBondContact O-N 2.75Å; D134-I139 VanDerWaalsContact O-CG1 3.31Å; D134-I139 WeakPolarHBondContact O-CG1 3.29Å; D134-I139 PolarHBondContact O-N 3.06Å |
| 135 | T | 73 | Confident | 83 | Confident | 73 Ų | 73 | 92.4 Ų | 92.4 | 45% | 0.448 | 50% | 0.498 | S | S | . | . | I | π-helix | trans | -82.2 | -32.9 | -172.7 | -52.3 | 0 | 0 | 0 | 0 | 113.1 | V131 D132 E133 P140 | V131-T135 WeakPolarHBondContact O-CB 3.22Å; V131-T135 PolarHBondContact O-N 3.03Å; V131-T135 PolarHBondContact O-OG1 2.92Å; D132-T135 PolarHBondContact O-N 2.87Å; E133-T135 VanDerWaalsContact C-N 3.35Å; E133-T135 PolarHBondContact O-N 3.38Å; T135-P140 VanDerWaalsContact O-CD 3.24Å; T135-P140 WeakPolarHBondContact O-CD 3.34Å; T135-P140 WeakPolarHBondContact O-CG 3.43Å |
| 136 | T | 70.4 | Confident | 82.6 | Confident | 84 Ų | 84 | 89.7 Ų | 89.7 | 52% | 0.515 | 50% | 0.496 | S | S | . | . | I | π-helix | trans | -98.7 | -28.1 | -173.2 | 65.5 | 0 | 0 | 0 | 0 | 113.7 | D132 P140 | D132-T136 VanDerWaalsContact O-CB 3.26Å; D132-T136 WeakPolarHBondContact O-CB 3.4Å; D132-T136 WeakPolarHBondContact O-CG2 3.41Å; D132-T136 PolarHBondContact O-N 2.83Å; D132-T136 PolarHBondContact O-OG1 3.29Å; T136-P140 WeakPolarHBondContact O-CG 3.24Å |
| 137 | E | 72.2 | Confident | 82.3 | Confident | 136 Ų | 136 | 91 Ų | 91 | 64% | 0.636 | 50% | 0.497 | S | S | * | . | I | π-helix | trans | -106.7 | -52 | -179.3 | -65 | -69.4 | 149.9 | 0 | 0 | 111.5 | E133 S141 | E133-E137 WeakPolarHBondContact O-CB 3.32Å; E133-E137 PolarHBondContact O-N 3.22Å; E137-S141 WeakPolarHBondContact O-CB 3.47Å; E137-S141 PolarHBondContact O-N 2.64Å |
| 138 | V | 73.7 | Confident | 82.2 | Confident | 78 Ų | 78 | 88.6 Ų | 88.6 | 47% | 0.473 | 49% | 0.486 | S | S | . | . | I | π-helix | trans | -77.5 | -51.3 | -168.8 | -176.1 | 0 | 0 | 0 | 0 | 112.5 | E133 S141 A142 | E133-V138 PolarHBondContact O-N 3.21Å; V138-S141 PolarHBondContact O-N 2.96Å; V138-A142 WeakPolarHBondContact O-CB 3.39Å; V138-A142 PolarHBondContact O-N 3.5Å |
| 139 | I | 73.3 | Confident | 82.2 | Confident | 97 Ų | 97 | 89.8 Ų | 89.8 | 50% | 0.497 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.5 | -49 | -177.3 | -66.8 | 172.4 | 0 | 0 | 0 | 111.8 | D134 S141 A142 V143 | D134-I139 VanDerWaalsContact O-CG1 3.31Å; D134-I139 WeakPolarHBondContact O-CG1 3.29Å; D134-I139 PolarHBondContact O-N 3.06Å; I139-S141 VanDerWaalsContact C-N 3.32Å; I139-S141 PolarHBondContact O-N 2.77Å; I139-A142 PolarHBondContact O-N 3.38Å; I139-V143 HydrophobicContact CG2-CG2 4.37Å; I139-V143 WeakPolarHBondContact O-CB 3.26Å; I139-V143 VanDerWaalsContact O-CG2 3.28Å; I139-V143 WeakPolarHBondContact O-CG2 3.18Å; I139-V143 PolarHBondContact O-N 2.84Å |
| 140 | P | 76.1 | Confident | 82.3 | Confident | 65 Ų | 65 | 89 Ų | 89 | 42% | 0.422 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.4 | -37.8 | 179.1 | -24.4 | 37.5 | 0 | 0 | 0 | 112.4 | T135 T136 V143 Y144 | T135-P140 VanDerWaalsContact O-CD 3.24Å; T135-P140 WeakPolarHBondContact O-CD 3.34Å; T135-P140 WeakPolarHBondContact O-CG 3.43Å; T136-P140 WeakPolarHBondContact O-CG 3.24Å; P140-V143 PolarHBondContact O-N 3.02Å; P140-Y144 WeakPolarHBondContact O-CB 3.31Å; P140-Y144 PolarHBondContact O-N 2.77Å |
| 141 | S | 80.3 | Confident | 82.4 | Confident | 69 Ų | 69 | 88.5 Ų | 88.5 | 48% | 0.483 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.9 | -47.8 | 175.6 | -179.4 | 0 | 0 | 0 | 0 | 112 | E137 V138 I139 V143 Y144 V145 | E137-S141 WeakPolarHBondContact O-CB 3.47Å; E137-S141 PolarHBondContact O-N 2.64Å; V138-S141 PolarHBondContact O-N 2.96Å; I139-S141 VanDerWaalsContact C-N 3.32Å; I139-S141 PolarHBondContact O-N 2.77Å; S141-V143 VanDerWaalsContact C-N 3.35Å; S141-V143 PolarHBondContact O-N 2.82Å; S141-Y144 PolarHBondContact O-N 3.34Å; S141-V145 WeakPolarHBondContact O-CG2 3.08Å; S141-V145 PolarHBondContact O-N 3.5Å |
| 142 | A | 84.2 | Confident | 82.6 | Confident | 58 Ų | 58 | 88.8 Ų | 88.8 | 48% | 0.479 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.7 | -41.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V138 I139 V145 A146 | V138-A142 WeakPolarHBondContact O-CB 3.39Å; V138-A142 PolarHBondContact O-N 3.5Å; I139-A142 PolarHBondContact O-N 3.38Å; A142-V145 PolarHBondContact O-N 3.06Å; A142-A146 WeakPolarHBondContact O-CB 3.38Å; A142-A146 PolarHBondContact O-N 3.41Å |
| 143 | V | 85.5 | Confident | 82.9 | Confident | 72 Ų | 72 | 86.4 Ų | 86.4 | 44% | 0.436 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.4 | -45 | 174.4 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | I139 P140 S141 A146 Q147 | I139-V143 HydrophobicContact CG2-CG2 4.37Å; I139-V143 WeakPolarHBondContact O-CB 3.26Å; I139-V143 VanDerWaalsContact O-CG2 3.28Å; I139-V143 WeakPolarHBondContact O-CG2 3.18Å; I139-V143 PolarHBondContact O-N 2.84Å; P140-V143 PolarHBondContact O-N 3.02Å; S141-V143 VanDerWaalsContact C-N 3.35Å; S141-V143 PolarHBondContact O-N 2.82Å; V143-A146 PolarHBondContact O-N 3.36Å; V143-Q147 HydrophobicContact CG1-CG 4.39Å; V143-Q147 WeakPolarHBondContact O-CB 2.98Å; V143-Q147 VanDerWaalsContact O-CG 3.23Å; V143-Q147 WeakPolarHBondContact O-CG 3.41Å; V143-Q147 PolarHBondContact O-N 2.59Å |
| 144 | Y | 86.5 | Confident | 83.4 | Confident | 152 Ų | 152 | 84 Ų | 84 | 60% | 0.596 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -62.2 | -46.7 | 177.5 | 179.2 | -101.2 | 0 | 0 | 0 | 111.8 | P140 S141 A146 Q147 V148 | P140-Y144 WeakPolarHBondContact O-CB 3.31Å; P140-Y144 PolarHBondContact O-N 2.77Å; S141-Y144 PolarHBondContact O-N 3.34Å; Y144-A146 PolarHBondContact O-N 2.77Å; Y144-Q147 CarbonylContact O-C 3.58Å; Y144-Q147 WeakPolarHBondContact O-CB 3.45Å; Y144-Q147 PolarHBondContact O-N 2.87Å; Y144-Q147 VanDerWaalsContact O-N 3.15Å; Y144-V148 HydrophobicContact CD1-CG2 4.02Å; Y144-V148 HydrophobicContact CD2-CG2 4.37Å; Y144-V148 HydrophobicContact CE1-CG2 3.56Å; Y144-V148 HydrophobicContact CE2-CG2 3.96Å; Y144-V148 HydrophobicContact CG-CG2 4.41Å; Y144-V148 WeakPolarHBondContact O-CG2 3.13Å; Y144-V148 PolarHBondContact O-N 3.35Å |
| 145 | V | 88.8 | Confident | 84.2 | Confident | 65 Ų | 65 | 79.8 Ų | 79.8 | 39% | 0.394 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -59.1 | -47 | 177.2 | 171 | 0 | 0 | 0 | 0 | 110.8 | S141 A142 Q147 V148 Y149 | S141-V145 WeakPolarHBondContact O-CG2 3.08Å; S141-V145 PolarHBondContact O-N 3.5Å; A142-V145 PolarHBondContact O-N 3.06Å; V145-Q147 VanDerWaalsContact C-N 3.32Å; V145-Q147 PolarHBondContact O-N 2.94Å; V145-V148 PolarHBondContact O-N 2.89Å; V145-Y149 HydrophobicContact CG1-CD2 3.72Å; V145-Y149 HydrophobicContact CG1-CE2 3.52Å; V145-Y149 WeakPolarHBondContact O-CD2 3.28Å; V145-Y149 PolarHBondContact O-N 3.41Å |
| 146 | A | 87.9 | Confident | 85.1 | Confident | 62 Ų | 62 | 81.6 Ų | 81.6 | 51% | 0.512 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.9 | -40.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A142 V143 Y144 Y150 | A142-A146 WeakPolarHBondContact O-CB 3.38Å; A142-A146 PolarHBondContact O-N 3.41Å; V143-A146 PolarHBondContact O-N 3.36Å; Y144-A146 PolarHBondContact O-N 2.77Å; A146-Y150 PolarHBondContact O-N 3.43Å |
| 147 | Q | 88.3 | Confident | 86.2 | Confident | 107 Ų | 107 | 81.1 Ų | 81.1 | 50% | 0.5 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 174.9 | -75.4 | 175.8 | 7.4 | 0 | 0 | 112.1 | V143 Y144 V145 Y150 L151 | V143-Q147 HydrophobicContact CG1-CG 4.39Å; V143-Q147 WeakPolarHBondContact O-CB 2.98Å; V143-Q147 VanDerWaalsContact O-CG 3.23Å; V143-Q147 WeakPolarHBondContact O-CG 3.41Å; V143-Q147 PolarHBondContact O-N 2.59Å; Y144-Q147 CarbonylContact O-C 3.58Å; Y144-Q147 WeakPolarHBondContact O-CB 3.45Å; Y144-Q147 PolarHBondContact O-N 2.87Å; Y144-Q147 VanDerWaalsContact O-N 3.15Å; V145-Q147 VanDerWaalsContact C-N 3.32Å; V145-Q147 PolarHBondContact O-N 2.94Å; Q147-Y150 CarbonylContact O-C 3.55Å; Q147-Y150 PolarHBondContact O-N 3.46Å; Q147-L151 WeakPolarHBondContact O-CB 3.23Å; Q147-L151 VanDerWaalsContact O-CG 3.28Å; Q147-L151 WeakPolarHBondContact O-CG 3.4Å; Q147-L151 PolarHBondContact O-N 3.39Å |
| 148 | V | 90.9 | Very high | 87.3 | Confident | 43 Ų | 43 | 78.7 Ų | 78.7 | 26% | 0.261 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.4 | -46.7 | 177.5 | 169.9 | 0 | 0 | 0 | 0 | 110.7 | Y144 V145 Y150 L151 I152 | Y144-V148 HydrophobicContact CD1-CG2 4.02Å; Y144-V148 HydrophobicContact CD2-CG2 4.37Å; Y144-V148 HydrophobicContact CE1-CG2 3.56Å; Y144-V148 HydrophobicContact CE2-CG2 3.96Å; Y144-V148 HydrophobicContact CG-CG2 4.41Å; Y144-V148 WeakPolarHBondContact O-CG2 3.13Å; Y144-V148 PolarHBondContact O-N 3.35Å; V145-V148 PolarHBondContact O-N 2.89Å; V148-Y150 VanDerWaalsContact C-N 3.29Å; V148-Y150 PolarHBondContact O-N 2.98Å; V148-L151 PolarHBondContact O-N 2.76Å; V148-L151 VanDerWaalsContact O-N 3.08Å; V148-I152 HydrophobicContact CG1-CD1 3.63Å; V148-I152 HydrophobicContact CG1-CG1 4.35Å; V148-I152 VanDerWaalsContact O-CG1 3.31Å; V148-I152 WeakPolarHBondContact O-CG1 3.48Å; V148-I152 PolarHBondContact O-N 2.97Å |
| 149 | Y | 90.4 | Very high | 88 | Confident | 147 Ų | 147 | 84.6 Ų | 84.6 | 58% | 0.576 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -58.3 | -42.8 | 174.8 | -82.5 | -65.7 | 0 | 0 | 0 | 111.9 | V145 T153 | V145-Y149 HydrophobicContact CG1-CD2 3.72Å; V145-Y149 HydrophobicContact CG1-CE2 3.52Å; V145-Y149 WeakPolarHBondContact O-CD2 3.28Å; V145-Y149 PolarHBondContact O-N 3.41Å; Y149-T153 WeakPolarHBondContact O-CB 3.49Å; Y149-T153 WeakPolarHBondContact O-CG2 3.34Å; Y149-T153 PolarHBondContact O-N 2.89Å; Y149-T153 PolarHBondContact O-OG1 3.21Å |
| 150 | Y | 91.1 | Very high | 88.8 | Confident | 77 Ų | 77 | 87.3 Ų | 87.3 | 30% | 0.302 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.9 | -38.4 | 174.2 | 176.3 | -107.4 | 0 | 0 | 0 | 112.6 | A146 Q147 V148 I152 K154 I155 K156 | A146-Y150 PolarHBondContact O-N 3.43Å; Q147-Y150 CarbonylContact O-C 3.55Å; Q147-Y150 PolarHBondContact O-N 3.46Å; V148-Y150 VanDerWaalsContact C-N 3.29Å; V148-Y150 PolarHBondContact O-N 2.98Å; Y150-I152 VanDerWaalsContact C-N 3.34Å; Y150-I152 PolarHBondContact O-N 3.46Å; Y150-K154 WeakPolarHBondContact O-CA 3.33Å; Y150-K154 PolarHBondContact O-N 3.4Å; Y150-I155 WeakPolarHBondContact CD2-O 3.26Å; Y150-K156 HydrophobicContact CD2-CG 3.92Å; Y150-K156 HydrophobicContact CE2-CD 4.15Å; Y150-K156 HydrophobicContact CE2-CG 3.46Å; Y150-K156 VanDerWaalsContact CE2-CG 3.46Å; Y150-K156 WeakPolarHBondContact OH-CE 3.21Å |
| 151 | L | 89.9 | Confident | 89.5 | Confident | 103 Ų | 103 | 86.5 Ų | 86.5 | 54% | 0.539 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.7 | -39.3 | 179.9 | -78.1 | 173 | 0 | 0 | 0 | 112.1 | Q147 V148 K154 | Q147-L151 WeakPolarHBondContact O-CB 3.23Å; Q147-L151 VanDerWaalsContact O-CG 3.28Å; Q147-L151 WeakPolarHBondContact O-CG 3.4Å; Q147-L151 PolarHBondContact O-N 3.39Å; V148-L151 PolarHBondContact O-N 2.76Å; V148-L151 VanDerWaalsContact O-N 3.08Å; L151-K154 WeakPolarHBondContact O-CE 3.46Å; L151-K154 PolarHBondContact O-NZ 2.87Å; L151-K154 VanDerWaalsContact O-NZ 3.13Å |
| 152 | I | 90.4 | Very high | 89.9 | Confident | 82 Ų | 82 | 89 Ų | 89 | 42% | 0.421 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -73 | -54.2 | 178.4 | -65.1 | 167.1 | 0 | 0 | 0 | 110.1 | V148 Y150 W196 | V148-I152 HydrophobicContact CG1-CD1 3.63Å; V148-I152 HydrophobicContact CG1-CG1 4.35Å; V148-I152 VanDerWaalsContact O-CG1 3.31Å; V148-I152 WeakPolarHBondContact O-CG1 3.48Å; V148-I152 PolarHBondContact O-N 2.97Å; Y150-I152 VanDerWaalsContact C-N 3.34Å; Y150-I152 PolarHBondContact O-N 3.46Å; I152-W196 HydrophobicContact CG2-CH2 4.12Å; I152-W196 HydrophobicContact CG2-CZ3 3.87Å |
| 153 | T | 90.9 | Very high | 90.1 | Very high | 22 Ų | 22 | 92.9 Ų | 92.9 | 14% | 0.135 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -86.8 | -24.6 | -169.9 | 64.8 | 0 | 0 | 0 | 0 | 113.4 | Y149 I155 H170 V199 | Y149-T153 WeakPolarHBondContact O-CB 3.49Å; Y149-T153 WeakPolarHBondContact O-CG2 3.34Å; Y149-T153 PolarHBondContact O-N 2.89Å; Y149-T153 PolarHBondContact O-OG1 3.21Å; T153-I155 WeakPolarHBondContact O-CG1 3.46Å; T153-I155 PolarHBondContact O-N 2.85Å; T153-I155 VanDerWaalsContact O-N 3.12Å; T153-I155 PolarHBondContact OG1-N 2.63Å; T153-H170 PolarHBondContact O-CD2 3.34Å; T153-H170 PolarHBondContact O-NE2 2.86Å; T153-V199 HydrophobicContact CG2-CG2 4.47Å |
| 154 | K | 91.6 | Very high | 90.3 | Very high | 75 Ų | 75 | 92 Ų | 92 | 33% | 0.326 | 45% | 0.449 | S | S | . | . | trans | 54.5 | 20.4 | -168.4 | -53.4 | -62.2 | -177.5 | -167.2 | 0 | 114.3 | Y150 L151 Y171 | Y150-K154 WeakPolarHBondContact O-CA 3.33Å; Y150-K154 PolarHBondContact O-N 3.4Å; L151-K154 WeakPolarHBondContact O-CE 3.46Å; L151-K154 PolarHBondContact O-NZ 2.87Å; L151-K154 VanDerWaalsContact O-NZ 3.13Å; K154-Y171 VanDerWaalsContact CB-O 3.29Å; K154-Y171 WeakPolarHBondContact CB-O 3.36Å; K154-Y171 PolarHBondContact O-N 3.49Å | ||
| 155 | I | 93.2 | Very high | 90.6 | Very high | 9 Ų | 9 | 86.9 Ų | 86.9 | 5% | 0.046 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 130.8 | 179.3 | -60.3 | 170 | 0 | 0 | 0 | 110.2 | Y150 T153 W157 V169 H170 I179 L195 | Y150-I155 WeakPolarHBondContact CD2-O 3.26Å; T153-I155 WeakPolarHBondContact O-CG1 3.46Å; T153-I155 PolarHBondContact O-N 2.85Å; T153-I155 VanDerWaalsContact O-N 3.12Å; T153-I155 PolarHBondContact OG1-N 2.63Å; I155-W157 HydrophobicContact CB-CZ2 4.49Å; I155-W157 HydrophobicContact CD1-CZ2 4.3Å; I155-W157 HydrophobicContact CG2-CD2 3.84Å; I155-W157 HydrophobicContact CG2-CE3 4.09Å; I155-W157 HydrophobicContact CG2-CG 4.49Å; I155-W157 HydrophobicContact CG2-CH2 3.91Å; I155-W157 HydrophobicContact CG2-CZ2 3.65Å; I155-W157 HydrophobicContact CG2-CZ3 4.1Å; I155-V169 WeakPolarHBondContact CA-O 3.31Å; I155-H170 HydrophobicContact CG1-CB 4.14Å; I155-I179 HydrophobicContact CD1-CD1 3.74Å; I155-I179 HydrophobicContact CG1-CD1 3.92Å; I155-I179 HydrophobicContact CG2-CD1 3.8Å; I155-L195 HydrophobicContact CD1-CD2 4.24Å |
| 156 | K | 92.4 | Very high | 90.8 | Very high | 110 Ų | 110 | 86 Ų | 86 | 48% | 0.478 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 125.1 | 165 | -62 | -169.9 | 177.6 | 178.3 | 0 | 110 | Y150 G168 V169 Y171 | Y150-K156 HydrophobicContact CD2-CG 3.92Å; Y150-K156 HydrophobicContact CE2-CD 4.15Å; Y150-K156 HydrophobicContact CE2-CG 3.46Å; Y150-K156 VanDerWaalsContact CE2-CG 3.46Å; Y150-K156 WeakPolarHBondContact OH-CE 3.21Å; K156-G168 CarbonylContact O-C 3.58Å; K156-G168 WeakPolarHBondContact O-CA 3.28Å; K156-V169 PolarHBondContact N-O 3.02Å; K156-V169 PolarHBondContact O-N 3.18Å; K156-Y171 HydrophobicContact CB-CE2 4.06Å; K156-Y171 HydrophobicContact CD-CD2 4.37Å; K156-Y171 HydrophobicContact CD-CE2 3.85Å; K156-Y171 HydrophobicContact CG-CD2 4.12Å; K156-Y171 HydrophobicContact CG-CE2 3.86Å |
| 157 | W | 93.6 | Very high | 91 | Very high | 75 Ų | 75 | 86.7 Ų | 86.7 | 28% | 0.284 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 145.7 | 178.4 | -62.3 | 115 | 0 | 0 | 0 | 112 | I155 Y159 L166 I179 L195 | I155-W157 HydrophobicContact CB-CZ2 4.49Å; I155-W157 HydrophobicContact CD1-CZ2 4.3Å; I155-W157 HydrophobicContact CG2-CD2 3.84Å; I155-W157 HydrophobicContact CG2-CE3 4.09Å; I155-W157 HydrophobicContact CG2-CG 4.49Å; I155-W157 HydrophobicContact CG2-CH2 3.91Å; I155-W157 HydrophobicContact CG2-CZ2 3.65Å; I155-W157 HydrophobicContact CG2-CZ3 4.1Å; W157-Y159 HydrophobicContact CB-CE1 4.09Å; W157-L166 HydrophobicContact CD2-CD1 4.16Å; W157-L166 HydrophobicContact CE3-CD1 3.72Å; W157-L166 HydrophobicContact CE3-CG 4.04Å; W157-L166 HydrophobicContact CH2-CD1 3.91Å; W157-L166 HydrophobicContact CH2-CD2 3.66Å; W157-L166 HydrophobicContact CH2-CG 3.69Å; W157-L166 HydrophobicContact CZ2-CD1 4.31Å; W157-L166 HydrophobicContact CZ2-CD2 4.37Å; W157-L166 HydrophobicContact CZ3-CD1 3.62Å; W157-L166 HydrophobicContact CZ3-CD2 3.96Å; W157-L166 HydrophobicContact CZ3-CG 3.43Å; W157-L166 VanDerWaalsContact CZ3-CG 3.43Å; W157-I179 HydrophobicContact CH2-CD1 4.25Å; W157-I179 HydrophobicContact CH2-CG2 4.18Å; W157-I179 HydrophobicContact CZ3-CB 4.37Å; W157-I179 HydrophobicContact CZ3-CD1 4.4Å; W157-I179 HydrophobicContact CZ3-CG2 3.89Å; W157-L195 HydrophobicContact CH2-CD1 4Å; W157-L195 HydrophobicContact CH2-CD2 3.7Å; W157-L195 HydrophobicContact CZ2-CD1 4.12Å; W157-L195 HydrophobicContact CZ2-CD2 4.33Å |
| 158 | E | 93.8 | Very high | 91.3 | Very high | 84 Ų | 84 | 81.8 Ų | 81.8 | 39% | 0.393 | 39% | 0.394 | S | S | . | . | trans | -96.1 | 110 | 171.2 | -172.2 | 178.4 | 156.5 | 0 | 0 | 108.6 | T161 K167 | E158-T161 HydrophobicContact CB-CG2 4.32Å; E158-T161 HydrophobicContact CG-CG2 4.02Å; E158-T161 PolarHBondContact O-OG1 3.31Å; E158-K167 HydrophobicContact CB-CB 4.41Å; E158-K167 PolarHBondContact N-O 3.37Å; E158-K167 IonicContact OE1-NZ 2.77Å; E158-K167 PolarHBondContact OE1-NZ 3.35Å; E158-K167 WeakPolarHBondContact OE2-CD 3.42Å; E158-K167 WeakPolarHBondContact OE2-CE 3.37Å; E158-K167 IonicContact OE2-NZ 3.37Å; E158-K167 PolarHBondContact OE2-NZ 3.19Å | ||
| 159 | Y | 88.9 | Confident | 91.4 | Very high | 203 Ų | 203 | 81.8 Ų | 81.8 | 80% | 0.796 | 39% | 0.394 | S | S | * | . | trans | -83.1 | -15.8 | -172.6 | -58.9 | -74.9 | 0 | 0 | 0 | 113.9 | W157 T161 | W157-Y159 HydrophobicContact CB-CE1 4.09Å; Y159-T161 VanDerWaalsContact C-N 3.32Å; Y159-T161 PolarHBondContact O-N 3.34Å | ||
| 160 | D | 90.9 | Very high | 91.6 | Very high | 153 Ų | 153 | 75.6 Ų | 75.6 | 82% | 0.818 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -91.5 | 63.5 | 178.8 | -167.4 | 22 | 0 | 0 | 0 | 110.9 | ||
| 161 | T | 88.9 | Confident | 91.5 | Very high | 49 Ų | 49 | 76.9 Ų | 76.9 | 30% | 0.301 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -138.9 | 169.6 | -178 | 56.8 | 0 | 0 | 0 | 0 | 112.3 | E158 Y159 I165 K167 | E158-T161 HydrophobicContact CB-CG2 4.32Å; E158-T161 HydrophobicContact CG-CG2 4.02Å; E158-T161 PolarHBondContact O-OG1 3.31Å; Y159-T161 VanDerWaalsContact C-N 3.32Å; Y159-T161 PolarHBondContact O-N 3.34Å; T161-I165 PolarHBondContact OG1-O 3.23Å; T161-K167 HydrophobicContact CG2-CB 3.88Å; T161-K167 HydrophobicContact CG2-CD 3.79Å; T161-K167 HydrophobicContact CG2-CG 4.48Å |
| 162 | Q | 90.8 | Very high | 91.1 | Very high | 122 Ų | 122 | 73 Ų | 73 | 57% | 0.57 | 36% | 0.361 | S | S | * | . | trans | -65.1 | 145.4 | 178 | -64.3 | 179.3 | -2.1 | 0 | 0 | 110.6 | N164 I165 | Q162-N164 PolarHBondContact O-N 2.87Å; Q162-I165 HydrophobicContact CB-CB 4.35Å; Q162-I165 HydrophobicContact CB-CD1 3.95Å; Q162-I165 HydrophobicContact CB-CG1 4.02Å; Q162-I165 HydrophobicContact CG-CD1 4.19Å; Q162-I165 PolarHBondContact O-N 3.07Å | ||
| 163 | P | 86.8 | Confident | 90.5 | Very high | 139 Ų | 139 | 75 Ų | 75 | 90% | 0.903 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -25.5 | -174.8 | -26.7 | 34.5 | 0 | 0 | 0 | 115.4 | ||
| 164 | N | 91.3 | Very high | 89.8 | Confident | 52 Ų | 52 | 80.5 Ų | 80.5 | 28% | 0.278 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 1.6 | 177.7 | 65.1 | -60.9 | 0 | 0 | 0 | 113.6 | Q162 D182 T183 | Q162-N164 PolarHBondContact O-N 2.87Å; N164-D182 PolarHBondContact ND2-OD1 3.11Å; N164-D182 VanDerWaalsContact ND2-OD1 3.16Å; N164-D182 CarbonylContact O-C 3.56Å; N164-D182 WeakPolarHBondContact O-CA 3.49Å; N164-T183 WeakPolarHBondContact CA-OG1 3.33Å; N164-T183 PolarHBondContact O-N 3.25Å; N164-T183 PolarHBondContact O-OG1 2.81Å; N164-T183 VanDerWaalsContact O-OG1 3.06Å |
| 165 | I | 92.3 | Very high | 89.4 | Confident | 46 Ų | 46 | 84.1 Ų | 84.1 | 24% | 0.236 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 114.8 | 179.8 | -60.5 | -179.7 | 0 | 0 | 0 | 108.9 | T161 Q162 K167 N180 | T161-I165 PolarHBondContact OG1-O 3.23Å; Q162-I165 HydrophobicContact CB-CB 4.35Å; Q162-I165 HydrophobicContact CB-CD1 3.95Å; Q162-I165 HydrophobicContact CB-CG1 4.02Å; Q162-I165 HydrophobicContact CG-CD1 4.19Å; Q162-I165 PolarHBondContact O-N 3.07Å; I165-K167 HydrophobicContact CG2-CB 4.31Å; I165-N180 WeakPolarHBondContact CG2-OD1 3.48Å |
| 166 | L | 91.8 | Very high | 89.2 | Confident | 47 Ų | 47 | 85.9 Ų | 85.9 | 25% | 0.246 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 104 | 172.5 | -174.9 | 66.7 | 0 | 0 | 0 | 109.3 | W157 N180 V181 T183 I191 L195 | W157-L166 HydrophobicContact CD2-CD1 4.16Å; W157-L166 HydrophobicContact CE3-CD1 3.72Å; W157-L166 HydrophobicContact CE3-CG 4.04Å; W157-L166 HydrophobicContact CH2-CD1 3.91Å; W157-L166 HydrophobicContact CH2-CD2 3.66Å; W157-L166 HydrophobicContact CH2-CG 3.69Å; W157-L166 HydrophobicContact CZ2-CD1 4.31Å; W157-L166 HydrophobicContact CZ2-CD2 4.37Å; W157-L166 HydrophobicContact CZ3-CD1 3.62Å; W157-L166 HydrophobicContact CZ3-CD2 3.96Å; W157-L166 HydrophobicContact CZ3-CG 3.43Å; W157-L166 VanDerWaalsContact CZ3-CG 3.43Å; L166-N180 WeakPolarHBondContact O-CA 3.43Å; L166-V181 HydrophobicContact CB-CB 4.4Å; L166-V181 PolarHBondContact N-O 3.37Å; L166-V181 PolarHBondContact O-N 3.02Å; L166-T183 HydrophobicContact CB-CG2 3.98Å; L166-I191 HydrophobicContact CD2-CG2 4.06Å; L166-L195 HydrophobicContact CD2-CD1 3.89Å |
| 167 | K | 93.8 | Very high | 89.1 | Confident | 76 Ų | 76 | 83.3 Ų | 83.3 | 33% | 0.33 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 134.9 | -175.6 | -166 | -179.2 | 173.6 | -149.5 | 0 | 111.7 | E158 T161 I165 I179 | E158-K167 HydrophobicContact CB-CB 4.41Å; E158-K167 PolarHBondContact N-O 3.37Å; E158-K167 IonicContact OE1-NZ 2.77Å; E158-K167 PolarHBondContact OE1-NZ 3.35Å; E158-K167 WeakPolarHBondContact OE2-CD 3.42Å; E158-K167 WeakPolarHBondContact OE2-CE 3.37Å; E158-K167 IonicContact OE2-NZ 3.37Å; E158-K167 PolarHBondContact OE2-NZ 3.19Å; T161-K167 HydrophobicContact CG2-CB 3.88Å; T161-K167 HydrophobicContact CG2-CD 3.79Å; T161-K167 HydrophobicContact CG2-CG 4.48Å; I165-K167 HydrophobicContact CG2-CB 4.31Å; K167-I179 CarbonylContact C-O 3.54Å; K167-I179 VanDerWaalsContact CA-O 3.29Å; K167-I179 WeakPolarHBondContact CA-O 3.42Å |
| 168 | G | 93.8 | Very high | 89.1 | Confident | 4 Ų | 4 | 84.7 Ų | 84.7 | 4% | 0.041 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.2 | -171.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | K156 I179 | K156-G168 CarbonylContact O-C 3.58Å; K156-G168 WeakPolarHBondContact O-CA 3.28Å; G168-I179 PolarHBondContact N-O 3.25Å; G168-I179 PolarHBondContact O-N 2.91Å |
| 169 | V | 93.8 | Very high | 89 | Confident | 43 Ų | 43 | 81 Ų | 81 | 26% | 0.261 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 129.1 | 176.8 | -176.6 | 0 | 0 | 0 | 0 | 109.3 | I155 K156 Y171 A176 | I155-V169 WeakPolarHBondContact CA-O 3.31Å; K156-V169 PolarHBondContact N-O 3.02Å; K156-V169 PolarHBondContact O-N 3.18Å; V169-Y171 HydrophobicContact CB-CE2 3.82Å; V169-Y171 HydrophobicContact CG1-CD2 4.32Å; V169-Y171 HydrophobicContact CG1-CE1 4.1Å; V169-Y171 HydrophobicContact CG1-CE2 3.78Å; V169-Y171 WeakPolarHBondContact O-CD2 3.43Å; V169-A176 HydrophobicContact CG1-CB 3.96Å |
| 170 | H | 93.2 | Very high | 89.2 | Confident | 16 Ų | 16 | 76.9 Ų | 76.9 | 7% | 0.074 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 128.6 | 172.3 | 177.2 | -117.3 | 0 | 0 | 0 | 110.9 | T153 I155 G172 A176 T177 I179 F198 | T153-H170 PolarHBondContact O-CD2 3.34Å; T153-H170 PolarHBondContact O-NE2 2.86Å; I155-H170 HydrophobicContact CG1-CB 4.14Å; H170-G172 VanDerWaalsContact CE1-CA 3.49Å; H170-G172 WeakPolarHBondContact CE1-CA 3.29Å; H170-G172 PolarHBondContact CE1-N 3.21Å; H170-A176 CarbonylContact O-C 3.56Å; H170-A176 VanDerWaalsContact O-CA 3.29Å; H170-A176 WeakPolarHBondContact O-CA 3.42Å; H170-T177 PolarHBondContact N-O 3.12Å; H170-T177 PolarHBondContact O-N 3.33Å; H170-I179 HydrophobicContact CB-CD1 4.21Å; H170-F198 HydrophobicContact CB-CD1 4.39Å; H170-F198 HydrophobicContact CB-CG 4.49Å; H170-F198 PolarHBondContact CE1-O 3.49Å; H170-F198 AromaticContact ND1-CD1 3.81Å; H170-F198 PolarHBondContact NE2-O 3.38Å |
| 171 | Y | 89.4 | Confident | 89.2 | Confident | 104 Ų | 104 | 69.9 Ų | 69.9 | 41% | 0.408 | 40% | 0.395 | S | S | . | . | trans | -112.6 | 63 | -179.7 | -64.2 | -85.7 | 0 | 0 | 0 | 111.4 | K154 K156 V169 A176 | K154-Y171 VanDerWaalsContact CB-O 3.29Å; K154-Y171 WeakPolarHBondContact CB-O 3.36Å; K154-Y171 PolarHBondContact O-N 3.49Å; K156-Y171 HydrophobicContact CB-CE2 4.06Å; K156-Y171 HydrophobicContact CD-CD2 4.37Å; K156-Y171 HydrophobicContact CD-CE2 3.85Å; K156-Y171 HydrophobicContact CG-CD2 4.12Å; K156-Y171 HydrophobicContact CG-CE2 3.86Å; V169-Y171 HydrophobicContact CB-CE2 3.82Å; V169-Y171 HydrophobicContact CG1-CD2 4.32Å; V169-Y171 HydrophobicContact CG1-CE1 4.1Å; V169-Y171 HydrophobicContact CG1-CE2 3.78Å; V169-Y171 WeakPolarHBondContact O-CD2 3.43Å; Y171-A176 HydrophobicContact CD1-CB 3.97Å; Y171-A176 HydrophobicContact CE1-CB 4.02Å | ||
| 172 | G | 81.7 | Confident | 89.3 | Confident | 22 Ų | 22 | 70.3 Ų | 70.3 | 23% | 0.227 | 40% | 0.395 | C | S | . | . | trans | -71.5 | -172.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | H170 D174 | H170-G172 VanDerWaalsContact CE1-CA 3.49Å; H170-G172 WeakPolarHBondContact CE1-CA 3.29Å; H170-G172 PolarHBondContact CE1-N 3.21Å; G172-D174 PolarHBondContact O-N 3.42Å | ||
| 173 | P | 76.9 | Confident | 89.2 | Confident | 123 Ų | 123 | 67.3 Ų | 67.3 | 80% | 0.799 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -64.6 | -21.3 | 174.2 | 27.2 | -34.2 | 0 | 0 | 0 | 113.2 | ||
| 174 | D | 76.8 | Confident | 89.4 | Confident | 138 Ų | 138 | 64.7 Ų | 64.7 | 74% | 0.738 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -92.9 | -170.5 | 176.8 | -64 | -45.7 | 0 | 0 | 0 | 112.7 | G172 A176 | G172-D174 PolarHBondContact O-N 3.42Å; D174-A176 PolarHBondContact O-N 3.02Å |
| 175 | L | 84.3 | Confident | 89.4 | Confident | 152 Ų | 152 | 67.4 Ų | 67.4 | 80% | 0.796 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -58.5 | 136.8 | 177.3 | -173.1 | 67.5 | 0 | 0 | 0 | 111.5 | T177 | L175-T177 PolarHBondContact O-N 3.28Å; L175-T177 PolarHBondContact O-OG1 2.68Å |
| 176 | A | 88.9 | Confident | 89.2 | Confident | 46 Ų | 46 | 69.8 Ų | 69.8 | 38% | 0.38 | 40% | 0.395 | S | S | . | . | trans | -54.1 | 124 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V169 H170 Y171 D174 | V169-A176 HydrophobicContact CG1-CB 3.96Å; H170-A176 CarbonylContact O-C 3.56Å; H170-A176 VanDerWaalsContact O-CA 3.29Å; H170-A176 WeakPolarHBondContact O-CA 3.42Å; Y171-A176 HydrophobicContact CD1-CB 3.97Å; Y171-A176 HydrophobicContact CE1-CB 4.02Å; D174-A176 PolarHBondContact O-N 3.02Å | ||
| 177 | T | 90.4 | Very high | 89.2 | Confident | 56 Ų | 56 | 70 Ų | 70 | 34% | 0.344 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 122.5 | -172.8 | -59.9 | 0 | 0 | 0 | 0 | 110.4 | H170 L175 F198 | H170-T177 PolarHBondContact N-O 3.12Å; H170-T177 PolarHBondContact O-N 3.33Å; L175-T177 PolarHBondContact O-N 3.28Å; L175-T177 PolarHBondContact O-OG1 2.68Å; T177-F198 HydrophobicContact CG2-CE1 3.86Å; T177-F198 HydrophobicContact CG2-CZ 4.37Å |
| 178 | P | 92.3 | Very high | 89 | Confident | 104 Ų | 104 | 77 Ų | 77 | 68% | 0.675 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 140.7 | 177.9 | 30.1 | -34 | 0 | 0 | 0 | 111.2 | ||
| 179 | I | 92.3 | Very high | 88.8 | Confident | 6 Ų | 6 | 80 Ų | 80 | 3% | 0.031 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 128.5 | 174.6 | -59.1 | 172.3 | 0 | 0 | 0 | 107.5 | I155 W157 K167 G168 H170 V181 L195 F198 | I155-I179 HydrophobicContact CD1-CD1 3.74Å; I155-I179 HydrophobicContact CG1-CD1 3.92Å; I155-I179 HydrophobicContact CG2-CD1 3.8Å; W157-I179 HydrophobicContact CH2-CD1 4.25Å; W157-I179 HydrophobicContact CH2-CG2 4.18Å; W157-I179 HydrophobicContact CZ3-CB 4.37Å; W157-I179 HydrophobicContact CZ3-CD1 4.4Å; W157-I179 HydrophobicContact CZ3-CG2 3.89Å; K167-I179 CarbonylContact C-O 3.54Å; K167-I179 VanDerWaalsContact CA-O 3.29Å; K167-I179 WeakPolarHBondContact CA-O 3.42Å; G168-I179 PolarHBondContact N-O 3.25Å; G168-I179 PolarHBondContact O-N 2.91Å; H170-I179 HydrophobicContact CB-CD1 4.21Å; I179-V181 HydrophobicContact CG2-CG2 4.17Å; I179-L195 HydrophobicContact CD1-CD2 4.05Å; I179-L195 HydrophobicContact CG2-CD2 4.13Å; I179-F198 HydrophobicContact CD1-CD2 4.3Å; I179-F198 HydrophobicContact CD1-CE2 4.11Å; I179-F198 HydrophobicContact CG1-CE2 4.07Å; I179-F198 HydrophobicContact CG1-CZ 4.29Å |
| 180 | N | 92.6 | Very high | 88.7 | Confident | 116 Ų | 116 | 81.8 Ų | 81.8 | 62% | 0.62 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 106.4 | 172.7 | -176.2 | 5.5 | 0 | 0 | 0 | 108.7 | I165 L166 | I165-N180 WeakPolarHBondContact CG2-OD1 3.48Å; L166-N180 WeakPolarHBondContact O-CA 3.43Å |
| 181 | V | 90.8 | Very high | 88.7 | Confident | 7 Ų | 7 | 81.7 Ų | 81.7 | 4% | 0.042 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 126.4 | -174.4 | -179.5 | 0 | 0 | 0 | 0 | 109.4 | L166 I179 I191 | L166-V181 HydrophobicContact CB-CB 4.4Å; L166-V181 PolarHBondContact N-O 3.37Å; L166-V181 PolarHBondContact O-N 3.02Å; I179-V181 HydrophobicContact CG2-CG2 4.17Å; V181-I191 HydrophobicContact CG1-CD1 4.16Å; V181-I191 HydrophobicContact CG1-CG1 4.01Å; V181-I191 HydrophobicContact CG1-CG2 4.42Å |
| 182 | D | 91.9 | Very high | 88.8 | Confident | 57 Ų | 57 | 79.4 Ų | 79.4 | 31% | 0.305 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 117.8 | 168.3 | -171.5 | -14.4 | 0 | 0 | 0 | 109.2 | N164 S184 V185 | N164-D182 PolarHBondContact ND2-OD1 3.11Å; N164-D182 VanDerWaalsContact ND2-OD1 3.16Å; N164-D182 CarbonylContact O-C 3.56Å; N164-D182 WeakPolarHBondContact O-CA 3.49Å; D182-S184 VanDerWaalsContact C-N 3.28Å; D182-S184 VanDerWaalsContact CG-OG 3.24Å; D182-S184 PolarHBondContact O-N 2.76Å; D182-S184 VanDerWaalsContact OD1-CB 3.32Å; D182-S184 WeakPolarHBondContact OD1-CB 3.42Å; D182-S184 PolarHBondContact OD1-N 2.99Å; D182-S184 PolarHBondContact OD1-OG 3.42Å; D182-S184 PolarHBondContact OD2-OG 3.15Å; D182-V185 HydrophobicContact CB-CG2 3.97Å |
| 183 | T | 88.9 | Confident | 89.3 | Confident | 60 Ų | 60 | 82.9 Ų | 82.9 | 37% | 0.368 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -11.1 | -177.8 | 65.5 | 0 | 0 | 0 | 0 | 112.6 | N164 L166 I191 | N164-T183 WeakPolarHBondContact CA-OG1 3.33Å; N164-T183 PolarHBondContact O-N 3.25Å; N164-T183 PolarHBondContact O-OG1 2.81Å; N164-T183 VanDerWaalsContact O-OG1 3.06Å; L166-T183 HydrophobicContact CB-CG2 3.98Å; T183-I191 HydrophobicContact CG2-CD1 4.14Å |
| 184 | S | 90.4 | Very high | 89.9 | Confident | 84 Ų | 84 | 79.9 Ų | 79.9 | 59% | 0.587 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -23.9 | 177.9 | 70.8 | 0 | 0 | 0 | 0 | 113.6 | D182 | D182-S184 VanDerWaalsContact C-N 3.28Å; D182-S184 VanDerWaalsContact CG-OG 3.24Å; D182-S184 PolarHBondContact O-N 2.76Å; D182-S184 VanDerWaalsContact OD1-CB 3.32Å; D182-S184 WeakPolarHBondContact OD1-CB 3.42Å; D182-S184 PolarHBondContact OD1-N 2.99Å; D182-S184 PolarHBondContact OD1-OG 3.42Å; D182-S184 PolarHBondContact OD2-OG 3.15Å |
| 185 | V | 90.4 | Very high | 90.6 | Very high | 108 Ų | 108 | 74.7 Ų | 74.7 | 66% | 0.655 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -105 | -3.2 | -173.2 | -57.8 | 0 | 0 | 0 | 0 | 113.8 | D182 | D182-V185 HydrophobicContact CB-CG2 3.97Š|
| 186 | R | 88.6 | Confident | 90.9 | Very high | 96 Ų | 96 | 74.1 Ų | 74.1 | 36% | 0.362 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -135.1 | 151.2 | -175.1 | -68 | -177.9 | 66.1 | -168.3 | -4.3 | 111.6 | D190 I191 | R186-D190 PolarHBondContact NH2-O 3.44Å; R186-I191 HydrophobicContact CB-CD1 3.99Å; R186-I191 HydrophobicContact CB-CG1 3.91Å |
| 187 | S | 91.4 | Very high | 90.9 | Very high | 51 Ų | 51 | 78.5 Ų | 78.5 | 36% | 0.357 | 42% | 0.417 | S | S | . | . | trans | -75.8 | 154.2 | 178.4 | 84.3 | 0 | 0 | 0 | 0 | 111.2 | S189 D190 I191 | S187-S189 VanDerWaalsContact C-N 3.3Å; S187-S189 PolarHBondContact O-N 2.87Å; S187-S189 PolarHBondContact OG-OG 3.16Å; S187-S189 VanDerWaalsContact OG-OG 3.07Å; S187-D190 WeakPolarHBondContact CB-OD2 3.29Å; S187-D190 PolarHBondContact O-N 2.98Å; S187-D190 PolarHBondContact OG-N 3.12Å; S187-D190 PolarHBondContact OG-OD1 3.44Å; S187-D190 PolarHBondContact OG-OD2 3.24Å; S187-I191 VanDerWaalsContact O-CG1 3.31Å; S187-I191 WeakPolarHBondContact O-CG1 3.31Å; S187-I191 PolarHBondContact O-N 2.85Å | ||
| 188 | R | 89.4 | Confident | 90.7 | Very high | 223 Ų | 223 | 78.4 Ų | 78.4 | 84% | 0.842 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -61.6 | -36.6 | -179.6 | -69.9 | -174.1 | -69.3 | 177.2 | -1.3 | 112.7 | I191 S192 | R188-I191 PolarHBondContact O-N 2.95Å; R188-S192 PolarHBondContact O-N 3.2Å; R188-S192 PolarHBondContact O-OG 2.84Å |
| 189 | S | 90.9 | Very high | 90.4 | Very high | 68 Ų | 68 | 75 Ų | 75 | 48% | 0.476 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.4 | -47.2 | 176.8 | 45.7 | 0 | 0 | 0 | 0 | 111.4 | S187 I191 S192 D193 | S187-S189 VanDerWaalsContact C-N 3.3Å; S187-S189 PolarHBondContact O-N 2.87Å; S187-S189 PolarHBondContact OG-OG 3.16Å; S187-S189 VanDerWaalsContact OG-OG 3.07Å; S189-I191 PolarHBondContact O-N 3.45Å; S189-S192 PolarHBondContact O-N 3.01Å; S189-S192 VanDerWaalsContact O-N 3.11Å; S189-D193 VanDerWaalsContact O-CG 3.28Å; S189-D193 PolarHBondContact O-N 3.32Å |
| 190 | D | 91.8 | Very high | 89.9 | Confident | 81 Ų | 81 | 78.1 Ų | 78.1 | 43% | 0.433 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.5 | -30.9 | -178 | -53 | -30.1 | 0 | 0 | 0 | 112.2 | R186 S187 Q194 | R186-D190 PolarHBondContact NH2-O 3.44Å; S187-D190 WeakPolarHBondContact CB-OD2 3.29Å; S187-D190 PolarHBondContact O-N 2.98Å; S187-D190 PolarHBondContact OG-N 3.12Å; S187-D190 PolarHBondContact OG-OD1 3.44Å; S187-D190 PolarHBondContact OG-OD2 3.24Å; D190-Q194 WeakPolarHBondContact O-CB 3.49Å; D190-Q194 PolarHBondContact O-N 3.45Å |
| 191 | I | 91.5 | Very high | 89.5 | Confident | 13 Ų | 13 | 78.4 Ų | 78.4 | 7% | 0.067 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -73 | -46 | 175.3 | -62.7 | 169.3 | 0 | 0 | 0 | 109.7 | L166 V181 T183 R186 S187 R188 S189 Q194 L195 | L166-I191 HydrophobicContact CD2-CG2 4.06Å; V181-I191 HydrophobicContact CG1-CD1 4.16Å; V181-I191 HydrophobicContact CG1-CG1 4.01Å; V181-I191 HydrophobicContact CG1-CG2 4.42Å; T183-I191 HydrophobicContact CG2-CD1 4.14Å; R186-I191 HydrophobicContact CB-CD1 3.99Å; R186-I191 HydrophobicContact CB-CG1 3.91Å; S187-I191 VanDerWaalsContact O-CG1 3.31Å; S187-I191 WeakPolarHBondContact O-CG1 3.31Å; S187-I191 PolarHBondContact O-N 2.85Å; R188-I191 PolarHBondContact O-N 2.95Å; S189-I191 PolarHBondContact O-N 3.45Å; I191-Q194 PolarHBondContact O-N 3.04Å; I191-L195 HydrophobicContact CG2-CD1 4.06Å; I191-L195 HydrophobicContact CG2-CG 4.46Å; I191-L195 VanDerWaalsContact O-CG 3.26Å; I191-L195 WeakPolarHBondContact O-CG 3.1Å; I191-L195 PolarHBondContact O-N 2.77Å |
| 192 | S | 91.6 | Very high | 88.9 | Confident | 56 Ų | 56 | 86.3 Ų | 86.3 | 39% | 0.392 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.1 | -45.4 | 177.7 | -69.6 | 0 | 0 | 0 | 0 | 112.4 | R188 S189 Q194 L195 W196 | R188-S192 PolarHBondContact O-N 3.2Å; R188-S192 PolarHBondContact O-OG 2.84Å; S189-S192 PolarHBondContact O-N 3.01Å; S189-S192 VanDerWaalsContact O-N 3.11Å; S192-Q194 VanDerWaalsContact C-N 3.34Å; S192-Q194 PolarHBondContact O-N 3.13Å; S192-L195 PolarHBondContact O-N 2.94Å; S192-L195 VanDerWaalsContact O-N 3.12Å; S192-W196 PolarHBondContact O-N 3.49Å |
| 193 | D | 92.4 | Very high | 87.8 | Confident | 96 Ų | 96 | 98.7 Ų | 98.7 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.5 | -46.8 | 179 | -66.9 | -18.9 | 0 | 0 | 0 | 110.5 | S189 L195 W196 D197 | S189-D193 VanDerWaalsContact O-CG 3.28Å; S189-D193 PolarHBondContact O-N 3.32Å; D193-L195 VanDerWaalsContact C-N 3.3Å; D193-L195 PolarHBondContact O-N 3.08Å; D193-W196 PolarHBondContact O-N 3.16Å; D193-W196 VanDerWaalsContact O-N 3.16Å; D193-D197 PolarHBondContact O-N 3.46Å |
| 194 | Q | 90.1 | Very high | 87.7 | Confident | 59 Ų | 59 | 100.7 Ų | 100.7 | 28% | 0.276 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.5 | -37.9 | 175.5 | -175.9 | -169.6 | -6.5 | 0 | 0 | 112.9 | D190 I191 S192 W196 D197 F198 | D190-Q194 WeakPolarHBondContact O-CB 3.49Å; D190-Q194 PolarHBondContact O-N 3.45Å; I191-Q194 PolarHBondContact O-N 3.04Å; S192-Q194 VanDerWaalsContact C-N 3.34Å; S192-Q194 PolarHBondContact O-N 3.13Å; Q194-W196 VanDerWaalsContact C-N 3.33Å; Q194-D197 PolarHBondContact O-N 3.15Å; Q194-F198 WeakPolarHBondContact O-CD2 3.11Å |
| 195 | L | 90.9 | Very high | 87.6 | Confident | 30 Ų | 30 | 101.5 Ų | 101.5 | 16% | 0.157 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -70.2 | -34.1 | 179.1 | -68.5 | 175 | 0 | 0 | 0 | 111.8 | I155 W157 L166 I179 I191 S192 D193 F198 | I155-L195 HydrophobicContact CD1-CD2 4.24Å; W157-L195 HydrophobicContact CH2-CD1 4Å; W157-L195 HydrophobicContact CH2-CD2 3.7Å; W157-L195 HydrophobicContact CZ2-CD1 4.12Å; W157-L195 HydrophobicContact CZ2-CD2 4.33Å; L166-L195 HydrophobicContact CD2-CD1 3.89Å; I179-L195 HydrophobicContact CD1-CD2 4.05Å; I179-L195 HydrophobicContact CG2-CD2 4.13Å; I191-L195 HydrophobicContact CG2-CD1 4.06Å; I191-L195 HydrophobicContact CG2-CG 4.46Å; I191-L195 VanDerWaalsContact O-CG 3.26Å; I191-L195 WeakPolarHBondContact O-CG 3.1Å; I191-L195 PolarHBondContact O-N 2.77Å; S192-L195 PolarHBondContact O-N 2.94Å; S192-L195 VanDerWaalsContact O-N 3.12Å; D193-L195 VanDerWaalsContact C-N 3.3Å; D193-L195 PolarHBondContact O-N 3.08Å; L195-F198 PolarHBondContact O-N 3.47Å |
| 196 | W | 91.2 | Very high | 87.4 | Confident | 140 Ų | 140 | 101.2 Ų | 101.2 | 53% | 0.53 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -72.2 | -28.3 | 175.1 | -77.7 | 115.8 | 0 | 0 | 0 | 113 | I152 S192 D193 Q194 F198 V199 | I152-W196 HydrophobicContact CG2-CH2 4.12Å; I152-W196 HydrophobicContact CG2-CZ3 3.87Å; S192-W196 PolarHBondContact O-N 3.49Å; D193-W196 PolarHBondContact O-N 3.16Å; D193-W196 VanDerWaalsContact O-N 3.16Å; Q194-W196 VanDerWaalsContact C-N 3.33Å; W196-F198 PolarHBondContact O-N 3.31Å; W196-F198 VanDerWaalsContact O-N 3.15Å; W196-V199 HydrophobicContact CE3-CB 4.19Å; W196-V199 HydrophobicContact CE3-CG2 3.78Å; W196-V199 HydrophobicContact CZ3-CG2 4.08Å; W196-V199 WeakPolarHBondContact O-CB 3.45Å; W196-V199 PolarHBondContact O-N 2.96Å |
| 197 | D | 89.2 | Confident | 87.3 | Confident | 137 Ų | 137 | 101.5 Ų | 101.5 | 73% | 0.733 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -22.7 | 173.7 | -70.8 | -23.2 | 0 | 0 | 0 | 113.2 | D193 Q194 V199 | D193-D197 PolarHBondContact O-N 3.46Å; Q194-D197 PolarHBondContact O-N 3.15Å; D197-V199 VanDerWaalsContact C-N 3.3Å |
| 198 | F | 86.2 | Confident | 87.1 | Confident | 55 Ų | 55 | 104.6 Ų | 104.6 | 24% | 0.241 | 51% | 0.507 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -22 | 174.2 | -72.5 | -66.1 | 0 | 0 | 0 | 113.5 | H170 T177 I179 Q194 L195 W196 S200 | H170-F198 HydrophobicContact CB-CD1 4.39Å; H170-F198 HydrophobicContact CB-CG 4.49Å; H170-F198 PolarHBondContact CE1-O 3.49Å; H170-F198 AromaticContact ND1-CD1 3.81Å; H170-F198 PolarHBondContact NE2-O 3.38Å; T177-F198 HydrophobicContact CG2-CE1 3.86Å; T177-F198 HydrophobicContact CG2-CZ 4.37Å; I179-F198 HydrophobicContact CD1-CD2 4.3Å; I179-F198 HydrophobicContact CD1-CE2 4.11Å; I179-F198 HydrophobicContact CG1-CE2 4.07Å; I179-F198 HydrophobicContact CG1-CZ 4.29Å; Q194-F198 WeakPolarHBondContact O-CD2 3.11Å; L195-F198 PolarHBondContact O-N 3.47Å; W196-F198 PolarHBondContact O-N 3.31Å; W196-F198 VanDerWaalsContact O-N 3.15Å; F198-S200 PolarHBondContact O-N 3.16Å |
| 199 | V | 86.6 | Confident | 86.9 | Confident | 31 Ų | 31 | 96.7 Ų | 96.7 | 19% | 0.188 | 49% | 0.485 | C | S | . | . | S | Bend | trans | -84.5 | 117.4 | -176.3 | -174.6 | 0 | 0 | 0 | 0 | 108.9 | T153 W196 D197 T201 | T153-V199 HydrophobicContact CG2-CG2 4.47Å; W196-V199 HydrophobicContact CE3-CB 4.19Å; W196-V199 HydrophobicContact CE3-CG2 3.78Å; W196-V199 HydrophobicContact CZ3-CG2 4.08Å; W196-V199 WeakPolarHBondContact O-CB 3.45Å; W196-V199 PolarHBondContact O-N 2.96Å; D197-V199 VanDerWaalsContact C-N 3.3Å; V199-T201 PolarHBondContact O-N 3.38Å |
| 200 | S | 81.8 | Confident | 86.7 | Confident | 73 Ų | 73 | 98.8 Ų | 98.8 | 51% | 0.51 | 49% | 0.485 | S | S | . | . | trans | -62.2 | 132.4 | 177.5 | -177 | 0 | 0 | 0 | 0 | 111 | F198 E202 | F198-S200 PolarHBondContact O-N 3.16Å; S200-E202 PolarHBondContact OG-N 3.28Å | ||
| 201 | T | 83.4 | Confident | 86.3 | Confident | 121 Ų | 121 | 100.2 Ų | 100.2 | 74% | 0.742 | 49% | 0.489 | S | S | * | . | trans | -97.5 | 8.4 | 174.4 | 59.4 | 0 | 0 | 0 | 0 | 112.7 | V199 | V199-T201 PolarHBondContact O-N 3.38Š| ||
| 202 | E | 78.6 | Confident | 85.8 | Confident | 174 Ų | 174 | 107.4 Ų | 107.4 | 81% | 0.813 | 53% | 0.525 | S | S | * | . | trans | -78.7 | 132.9 | 175.8 | -59.6 | -174 | 162.8 | 0 | 0 | 110 | S200 | S200-E202 PolarHBondContact OG-N 3.28Š| ||
| 203 | W | 67.7 | Low | 85.3 | Confident | 317 Ų | 317 | 112.1 Ų | 112.1 | 100% | 1.201 | 54% | 0.537 | S | S | * | . | trans | -115.8 | 0 | -175.5 | -67.7 | 89.9 | 0 | 0 | 0 | 112.3 |
Retrieved 203 of 203 residues in 111.5 ms
(Link to these results)