| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 58.7 | Low | 79.3 | Confident | 205 Ų | 205 | 119.4 Ų | 119.4 | 100% | 1.01 | 61% | 0.607 | S | S | * | * | 0 | -39.8 | 0 | -69 | -58.6 | -172.9 | 0 | 0 | 113 | Y3 R4 | M1-Y3 PolarHBondContact O-N 3.22Å; M1-R4 PolarHBondContact O-N 3.11Å | |||
| 2 | S | 65.2 | Low | 80.5 | Confident | 100 Ų | 100 | 119.3 Ų | 119.3 | 70% | 0.699 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -54 | -39.4 | -177.4 | -155.8 | 0 | 0 | 0 | 0 | 116.1 | R4 H5 A6 | S2-R4 VanDerWaalsContact C-N 3.34Å; S2-R4 PolarHBondContact O-N 3.16Å; S2-H5 PolarHBondContact O-N 2.92Å; S2-A6 PolarHBondContact O-N 3.39Å |
| 3 | Y | 73.1 | Confident | 81.5 | Confident | 215 Ų | 215 | 119.6 Ų | 119.6 | 84% | 0.843 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -66.1 | -30.5 | -179.2 | -76.8 | -80.7 | 0 | 0 | 0 | 114.2 | M1 S7 | M1-Y3 PolarHBondContact O-N 3.22Å; Y3-S7 WeakPolarHBondContact O-CB 3.4Å; Y3-S7 PolarHBondContact O-N 2.99Å; Y3-S7 VanDerWaalsContact O-N 3.16Å |
| 4 | R | 74.5 | Confident | 82.4 | Confident | 194 Ų | 194 | 117.2 Ų | 117.2 | 73% | 0.732 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -71.4 | -38.2 | 177.2 | -90.5 | -169.1 | -175.3 | 164.8 | 1.1 | 111.8 | M1 S2 S7 L8 | M1-R4 PolarHBondContact O-N 3.11Å; S2-R4 VanDerWaalsContact C-N 3.34Å; S2-R4 PolarHBondContact O-N 3.16Å; R4-S7 PolarHBondContact O-N 3.02Å; R4-L8 WeakPolarHBondContact O-CG 3.42Å; R4-L8 PolarHBondContact O-N 3.45Å |
| 5 | H | 76.8 | Confident | 83.3 | Confident | 125 Ų | 125 | 116.7 Ų | 116.7 | 58% | 0.579 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66.1 | -48.3 | 178.7 | -151.3 | -54.9 | 0 | 0 | 0 | 110.5 | S2 S7 L8 D9 | S2-H5 PolarHBondContact O-N 2.92Å; H5-S7 VanDerWaalsContact C-N 3.28Å; H5-S7 PolarHBondContact O-N 3.32Å; H5-L8 PolarHBondContact O-N 2.99Å; H5-D9 IonicContact CE1-OD1 3.6Å; H5-D9 PolarHBondContact CE1-OD1 3.03Å; H5-D9 IonicContact CE1-OD2 2.98Å; H5-D9 IonicContact CG-OD2 3.36Å; H5-D9 IonicContact ND1-OD1 2.83Å; H5-D9 PolarHBondContact ND1-OD1 2.83Å; H5-D9 IonicContact ND1-OD2 2.6Å; H5-D9 PolarHBondContact ND1-OD2 3.41Å; H5-D9 PolarHBondContact O-N 3.13Å; H5-D9 VanDerWaalsContact O-OD2 3.11Å |
| 6 | A | 82 | Confident | 84.1 | Confident | 59 Ų | 59 | 115.9 Ų | 115.9 | 49% | 0.488 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -59.7 | -35.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S2 C10 | S2-A6 PolarHBondContact O-N 3.39Å; A6-C10 WeakPolarHBondContact O-CB 3.5Å; A6-C10 PolarHBondContact O-N 3.44Å; A6-C10 VanDerWaalsContact O-N 3.14Å |
| 7 | S | 85.3 | Confident | 84.8 | Confident | 66 Ų | 66 | 115 Ų | 115 | 46% | 0.462 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -70 | -36.8 | 175.4 | -175.5 | 0 | 0 | 0 | 0 | 112.8 | Y3 R4 H5 Q11 | Y3-S7 WeakPolarHBondContact O-CB 3.4Å; Y3-S7 PolarHBondContact O-N 2.99Å; Y3-S7 VanDerWaalsContact O-N 3.16Å; R4-S7 PolarHBondContact O-N 3.02Å; H5-S7 VanDerWaalsContact C-N 3.28Å; H5-S7 PolarHBondContact O-N 3.32Å; S7-Q11 WeakPolarHBondContact O-CG 3.28Å; S7-Q11 PolarHBondContact O-N 3.41Å |
| 8 | L | 86.4 | Confident | 85.5 | Confident | 86 Ų | 86 | 117.5 Ų | 117.5 | 45% | 0.45 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70.1 | -43.5 | 176 | -77 | 166.1 | 0 | 0 | 0 | 110.6 | R4 H5 C10 Q11 H12 | R4-L8 WeakPolarHBondContact O-CG 3.42Å; R4-L8 PolarHBondContact O-N 3.45Å; H5-L8 PolarHBondContact O-N 2.99Å; L8-C10 VanDerWaalsContact C-N 3.33Å; L8-C10 PolarHBondContact O-N 3.3Å; L8-Q11 WeakPolarHBondContact O-CB 3.31Å; L8-Q11 PolarHBondContact O-N 3.43Å; L8-Q11 VanDerWaalsContact O-N 3.11Å; L8-H12 PolarHBondContact O-N 3.27Å; L8-H12 PolarHBondContact O-ND1 3.45Å |
| 9 | D | 88.8 | Confident | 86.1 | Confident | 81 Ų | 81 | 114.7 Ų | 114.7 | 43% | 0.433 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -60 | -44.3 | 178.7 | -61.5 | -29 | 0 | 0 | 0 | 111 | H5 Q11 H12 E13 | H5-D9 IonicContact CE1-OD1 3.6Å; H5-D9 PolarHBondContact CE1-OD1 3.03Å; H5-D9 IonicContact CE1-OD2 2.98Å; H5-D9 IonicContact CG-OD2 3.36Å; H5-D9 IonicContact ND1-OD1 2.83Å; H5-D9 PolarHBondContact ND1-OD1 2.83Å; H5-D9 IonicContact ND1-OD2 2.6Å; H5-D9 PolarHBondContact ND1-OD2 3.41Å; H5-D9 PolarHBondContact O-N 3.13Å; H5-D9 VanDerWaalsContact O-OD2 3.11Å; D9-Q11 VanDerWaalsContact C-N 3.33Å; D9-Q11 PolarHBondContact O-N 3.3Å; D9-H12 PolarHBondContact O-N 3.28Å; D9-E13 WeakPolarHBondContact O-CB 3.19Å; D9-E13 PolarHBondContact O-N 3.4Å |
| 10 | C | 90.6 | Very high | 86.7 | Confident | 65 Ų | 65 | 113.9 Ų | 113.9 | 44% | 0.439 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.1 | -36.6 | 174.5 | 178.9 | 0 | 0 | 0 | 0 | 113 | A6 L8 L14 | A6-C10 WeakPolarHBondContact O-CB 3.5Å; A6-C10 PolarHBondContact O-N 3.44Å; A6-C10 VanDerWaalsContact O-N 3.14Å; L8-C10 VanDerWaalsContact C-N 3.33Å; L8-C10 PolarHBondContact O-N 3.3Å; C10-L14 WeakPolarHBondContact O-CB 3.47Å; C10-L14 WeakPolarHBondContact O-CG 3.13Å; C10-L14 PolarHBondContact O-N 3.36Å |
| 11 | Q | 91.5 | Very high | 87.2 | Confident | 117 Ų | 117 | 113.6 Ų | 113.6 | 55% | 0.547 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -68.6 | -41.1 | 175.5 | -78.4 | 179.4 | -13.8 | 0 | 0 | 112.5 | S7 L8 D9 L14 E15 | S7-Q11 WeakPolarHBondContact O-CG 3.28Å; S7-Q11 PolarHBondContact O-N 3.41Å; L8-Q11 WeakPolarHBondContact O-CB 3.31Å; L8-Q11 PolarHBondContact O-N 3.43Å; L8-Q11 VanDerWaalsContact O-N 3.11Å; D9-Q11 VanDerWaalsContact C-N 3.33Å; D9-Q11 PolarHBondContact O-N 3.3Å; Q11-L14 PolarHBondContact O-N 2.9Å; Q11-E15 PolarHBondContact O-N 3.45Å |
| 12 | H | 92.7 | Very high | 89 | Confident | 118 Ų | 118 | 106.6 Ų | 106.6 | 55% | 0.546 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.5 | -44.3 | 175.3 | -71.2 | 85.3 | 0 | 0 | 0 | 110.7 | L8 D9 L14 E15 D16 | L8-H12 PolarHBondContact O-N 3.27Å; L8-H12 PolarHBondContact O-ND1 3.45Å; D9-H12 PolarHBondContact O-N 3.28Å; H12-L14 VanDerWaalsContact C-N 3.33Å; H12-L14 PolarHBondContact O-N 2.9Å; H12-E15 PolarHBondContact O-N 3.21Å; H12-E15 VanDerWaalsContact O-N 3.13Å; H12-D16 PolarHBondContact O-N 3.36Å |
| 13 | E | 94.7 | Very high | 90.6 | Very high | 124 Ų | 124 | 105.7 Ų | 105.7 | 58% | 0.579 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -59.9 | -42 | 175.9 | -174.6 | 178.4 | -174.4 | 0 | 0 | 112 | D9 E15 D16 L17 | D9-E13 WeakPolarHBondContact O-CB 3.19Å; D9-E13 PolarHBondContact O-N 3.4Å; E13-E15 VanDerWaalsContact C-N 3.34Å; E13-E15 PolarHBondContact O-N 2.93Å; E13-D16 PolarHBondContact O-N 2.85Å; E13-L17 HydrophobicContact CG-CD1 4.27Å; E13-L17 WeakPolarHBondContact O-CB 3.4Å; E13-L17 VanDerWaalsContact O-CG 3.25Å; E13-L17 WeakPolarHBondContact O-CG 3.29Å; E13-L17 PolarHBondContact O-N 3.37Å |
| 14 | L | 94 | Very high | 91.7 | Very high | 86 Ų | 86 | 97.6 Ų | 97.6 | 45% | 0.45 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.5 | -39.5 | 174.4 | -82.6 | 168.6 | 0 | 0 | 0 | 112.7 | C10 Q11 H12 R18 | C10-L14 WeakPolarHBondContact O-CB 3.47Å; C10-L14 WeakPolarHBondContact O-CG 3.13Å; C10-L14 PolarHBondContact O-N 3.36Å; Q11-L14 PolarHBondContact O-N 2.9Å; H12-L14 VanDerWaalsContact C-N 3.33Å; H12-L14 PolarHBondContact O-N 2.9Å; L14-R18 WeakPolarHBondContact O-CB 3.45Å; L14-R18 VanDerWaalsContact O-CG 3.25Å; L14-R18 WeakPolarHBondContact O-CG 3.21Å; L14-R18 PolarHBondContact O-N 3.01Å |
| 15 | E | 95 | Very high | 92.9 | Very high | 110 Ų | 110 | 92.7 Ų | 92.7 | 51% | 0.514 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.8 | -41 | 178.7 | -165.9 | 58.7 | -152.1 | 0 | 0 | 111.6 | Q11 H12 E13 L17 R18 S19 | Q11-E15 PolarHBondContact O-N 3.45Å; H12-E15 PolarHBondContact O-N 3.21Å; H12-E15 VanDerWaalsContact O-N 3.13Å; E13-E15 VanDerWaalsContact C-N 3.34Å; E13-E15 PolarHBondContact O-N 2.93Å; E15-L17 PolarHBondContact O-N 3.02Å; E15-R18 WeakPolarHBondContact O-CB 3.47Å; E15-R18 PolarHBondContact O-N 3.25Å; E15-R18 IonicContact OE2-NH1 3.93Å; E15-S19 WeakPolarHBondContact O-CB 3.17Å; E15-S19 PolarHBondContact O-N 3.37Å |
| 16 | D | 95.8 | Very high | 93.9 | Very high | 104 Ų | 104 | 90.6 Ų | 90.6 | 56% | 0.556 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.7 | -44.6 | 173.5 | -75 | -16.9 | 0 | 0 | 0 | 111.2 | H12 E13 R18 S19 N20 | H12-D16 PolarHBondContact O-N 3.36Å; E13-D16 PolarHBondContact O-N 2.85Å; D16-R18 VanDerWaalsContact C-N 3.34Å; D16-R18 PolarHBondContact O-N 3.35Å; D16-S19 PolarHBondContact O-N 3.04Å; D16-N20 WeakPolarHBondContact O-CB 3.28Å; D16-N20 PolarHBondContact O-N 2.96Å; D16-N20 PolarHBondContact O-ND2 3.02Å |
| 17 | L | 96.6 | Very high | 94.6 | Very high | 100 Ų | 100 | 92.3 Ų | 92.3 | 52% | 0.524 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63 | -39.1 | 175.4 | -74.2 | 172.6 | 0 | 0 | 0 | 112.3 | E13 E15 N20 L21 | E13-L17 HydrophobicContact CG-CD1 4.27Å; E13-L17 WeakPolarHBondContact O-CB 3.4Å; E13-L17 VanDerWaalsContact O-CG 3.25Å; E13-L17 WeakPolarHBondContact O-CG 3.29Å; E13-L17 PolarHBondContact O-N 3.37Å; E15-L17 PolarHBondContact O-N 3.02Å; L17-N20 PolarHBondContact O-N 3.29Å; L17-L21 WeakPolarHBondContact O-CB 3.47Å; L17-L21 PolarHBondContact O-N 3.13Å |
| 18 | R | 97.3 | Very high | 95.3 | Very high | 160 Ų | 160 | 93.1 Ų | 93.1 | 60% | 0.604 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.9 | -43.2 | 175.4 | -78.4 | 172 | 174.3 | 175.3 | -0.7 | 112.1 | L14 E15 D16 L21 A22 | L14-R18 WeakPolarHBondContact O-CB 3.45Å; L14-R18 VanDerWaalsContact O-CG 3.25Å; L14-R18 WeakPolarHBondContact O-CG 3.21Å; L14-R18 PolarHBondContact O-N 3.01Å; E15-R18 WeakPolarHBondContact O-CB 3.47Å; E15-R18 PolarHBondContact O-N 3.25Å; E15-R18 IonicContact OE2-NH1 3.93Å; D16-R18 VanDerWaalsContact C-N 3.34Å; D16-R18 PolarHBondContact O-N 3.35Å; R18-L21 PolarHBondContact O-N 3.23Å; R18-A22 WeakPolarHBondContact O-CB 3.4Å; R18-A22 PolarHBondContact O-N 2.89Å |
| 19 | S | 96.6 | Very high | 95.8 | Very high | 64 Ų | 64 | 91.2 Ų | 91.2 | 45% | 0.448 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61 | -46.4 | 174.6 | -177.8 | 0 | 0 | 0 | 0 | 111.1 | E15 D16 L21 A22 T23 | E15-S19 WeakPolarHBondContact O-CB 3.17Å; E15-S19 PolarHBondContact O-N 3.37Å; D16-S19 PolarHBondContact O-N 3.04Å; S19-L21 PolarHBondContact O-N 2.92Å; S19-A22 PolarHBondContact O-N 3.5Å; S19-T23 WeakPolarHBondContact O-CG2 3.48Å; S19-T23 PolarHBondContact O-N 2.89Å; S19-T23 PolarHBondContact O-OG1 3.36Å |
| 20 | N | 97.6 | Very high | 96.3 | Very high | 99 Ų | 99 | 91.5 Ų | 91.5 | 53% | 0.529 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62 | -40 | 176.4 | -72.6 | -25.8 | 0 | 0 | 0 | 112.5 | D16 L17 T23 A24 | D16-N20 WeakPolarHBondContact O-CB 3.28Å; D16-N20 PolarHBondContact O-N 2.96Å; D16-N20 PolarHBondContact O-ND2 3.02Å; L17-N20 PolarHBondContact O-N 3.29Å; N20-T23 WeakPolarHBondContact CA-OG1 3.38Å; N20-T23 PolarHBondContact O-OG1 2.97Å; N20-A24 VanDerWaalsContact O-CB 3.3Å; N20-A24 WeakPolarHBondContact O-CB 3.48Å; N20-A24 PolarHBondContact O-N 3.42Å |
| 21 | L | 97.6 | Very high | 96.6 | Very high | 108 Ų | 108 | 92.6 Ų | 92.6 | 57% | 0.565 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -67.5 | -39.8 | 175.4 | -176.7 | 143.6 | 0 | 0 | 0 | 112 | L17 R18 S19 A24 N25 | L17-L21 WeakPolarHBondContact O-CB 3.47Å; L17-L21 PolarHBondContact O-N 3.13Å; R18-L21 PolarHBondContact O-N 3.23Å; S19-L21 PolarHBondContact O-N 2.92Å; L21-A24 PolarHBondContact O-N 3.39Å; L21-N25 VanDerWaalsContact CD2-ND2 3.31Å; L21-N25 WeakPolarHBondContact CD2-ND2 3.39Å; L21-N25 WeakPolarHBondContact O-CB 3.47Å; L21-N25 VanDerWaalsContact O-CG 3.26Å; L21-N25 PolarHBondContact O-N 2.6Å; L21-N25 PolarHBondContact O-ND2 2.9Å |
| 22 | A | 97.4 | Very high | 97 | Very high | 57 Ų | 57 | 92.9 Ų | 92.9 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | R18 S19 N25 S26 | R18-A22 WeakPolarHBondContact O-CB 3.4Å; R18-A22 PolarHBondContact O-N 2.89Å; S19-A22 PolarHBondContact O-N 3.5Å; A22-N25 PolarHBondContact O-N 3.46Å; A22-S26 PolarHBondContact O-N 3.17Å |
| 23 | T | 97.6 | Very high | 97.2 | Very high | 82 Ų | 82 | 91 Ų | 91 | 50% | 0.503 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.6 | -42.5 | 175.5 | 55.8 | 0 | 0 | 0 | 0 | 111.9 | S19 N20 S26 L27 | S19-T23 WeakPolarHBondContact O-CG2 3.48Å; S19-T23 PolarHBondContact O-N 2.89Å; S19-T23 PolarHBondContact O-OG1 3.36Å; N20-T23 WeakPolarHBondContact CA-OG1 3.38Å; N20-T23 PolarHBondContact O-OG1 2.97Å; T23-S26 WeakPolarHBondContact O-CB 3.41Å; T23-S26 PolarHBondContact O-N 3.29Å; T23-L27 PolarHBondContact O-N 2.92Å |
| 24 | A | 97.8 | Very high | 97.4 | Very high | 45 Ų | 45 | 90.5 Ų | 90.5 | 37% | 0.372 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.4 | -44.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | N20 L21 S26 L27 I28 | N20-A24 VanDerWaalsContact O-CB 3.3Å; N20-A24 WeakPolarHBondContact O-CB 3.48Å; N20-A24 PolarHBondContact O-N 3.42Å; L21-A24 PolarHBondContact O-N 3.39Å; A24-S26 VanDerWaalsContact C-N 3.33Å; A24-S26 PolarHBondContact O-N 2.85Å; A24-L27 PolarHBondContact O-N 3.42Å; A24-I28 VanDerWaalsContact O-CG1 3.27Å; A24-I28 WeakPolarHBondContact O-CG1 3.47Å; A24-I28 PolarHBondContact O-N 2.88Å |
| 25 | N | 98.3 | Very high | 97.6 | Very high | 90 Ų | 90 | 92 Ų | 92 | 48% | 0.481 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.7 | -39.4 | 175.7 | -75 | -19.9 | 0 | 0 | 0 | 112.2 | L21 A22 I28 A29 | L21-N25 VanDerWaalsContact CD2-ND2 3.31Å; L21-N25 WeakPolarHBondContact CD2-ND2 3.39Å; L21-N25 WeakPolarHBondContact O-CB 3.47Å; L21-N25 VanDerWaalsContact O-CG 3.26Å; L21-N25 PolarHBondContact O-N 2.6Å; L21-N25 PolarHBondContact O-ND2 2.9Å; A22-N25 PolarHBondContact O-N 3.46Å; N25-I28 PolarHBondContact O-N 2.9Å; N25-A29 WeakPolarHBondContact O-CB 3.37Å; N25-A29 PolarHBondContact O-N 3.26Å |
| 26 | S | 97.7 | Very high | 97.8 | Very high | 81 Ų | 81 | 89.9 Ų | 89.9 | 57% | 0.566 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.8 | -42.3 | 174.5 | -172.7 | 0 | 0 | 0 | 0 | 111.9 | A22 T23 A24 A29 E30 | A22-S26 PolarHBondContact O-N 3.17Å; T23-S26 WeakPolarHBondContact O-CB 3.41Å; T23-S26 PolarHBondContact O-N 3.29Å; A24-S26 VanDerWaalsContact C-N 3.33Å; A24-S26 PolarHBondContact O-N 2.85Å; S26-A29 PolarHBondContact O-N 3Å; S26-E30 PolarHBondContact O-N 3.5Å |
| 27 | L | 98.3 | Very high | 97.9 | Very high | 95 Ų | 95 | 90.3 Ų | 90.3 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.2 | -40.3 | 177.3 | -179.2 | 66 | 0 | 0 | 0 | 111.7 | T23 A24 E30 L31 | T23-L27 PolarHBondContact O-N 2.92Å; A24-L27 PolarHBondContact O-N 3.42Å; L27-E30 PolarHBondContact O-N 3.19Å; L27-L31 HydrophobicContact CG-CD1 4.21Å; L27-L31 WeakPolarHBondContact O-CG 3.38Å; L27-L31 PolarHBondContact O-N 3.37Å |
| 28 | I | 98.2 | Very high | 98 | Very high | 84 Ų | 84 | 90.8 Ų | 90.8 | 43% | 0.431 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.6 | -48.1 | 174.8 | -70.8 | 165.3 | 0 | 0 | 0 | 109.8 | A24 N25 E30 L31 E32 | A24-I28 VanDerWaalsContact O-CG1 3.27Å; A24-I28 WeakPolarHBondContact O-CG1 3.47Å; A24-I28 PolarHBondContact O-N 2.88Å; N25-I28 PolarHBondContact O-N 2.9Å; I28-E30 VanDerWaalsContact C-N 3.31Å; I28-E30 PolarHBondContact O-N 3.43Å; I28-L31 PolarHBondContact O-N 2.98Å; I28-L31 VanDerWaalsContact O-N 3.12Å; I28-E32 HydrophobicContact CG2-CG 4.23Å; I28-E32 WeakPolarHBondContact O-CB 3.35Å; I28-E32 VanDerWaalsContact O-CG 3.3Å; I28-E32 WeakPolarHBondContact O-CG 3.2Å; I28-E32 PolarHBondContact O-N 2.98Å |
| 29 | A | 98.1 | Very high | 98 | Very high | 46 Ų | 46 | 91.7 Ų | 91.7 | 38% | 0.38 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.6 | -39.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | N25 S26 E32 T33 | N25-A29 WeakPolarHBondContact O-CB 3.37Å; N25-A29 PolarHBondContact O-N 3.26Å; S26-A29 PolarHBondContact O-N 3Å; A29-E32 PolarHBondContact O-N 3.32Å; A29-T33 WeakPolarHBondContact O-CG2 3.3Å; A29-T33 PolarHBondContact O-N 3.41Å; A29-T33 PolarHBondContact O-OG1 3.46Å |
| 30 | E | 98.3 | Very high | 98.1 | Very high | 87 Ų | 87 | 93.6 Ų | 93.6 | 41% | 0.407 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.2 | -40.3 | 174 | -168.5 | -169.8 | 153.8 | 0 | 0 | 112.2 | S26 L27 I28 T33 K34 | S26-E30 PolarHBondContact O-N 3.5Å; L27-E30 PolarHBondContact O-N 3.19Å; I28-E30 VanDerWaalsContact C-N 3.31Å; I28-E30 PolarHBondContact O-N 3.43Å; E30-T33 WeakPolarHBondContact CA-OG1 3.33Å; E30-T33 PolarHBondContact O-OG1 3.38Å; E30-K34 HydrophobicContact CG-CD 4.39Å; E30-K34 WeakPolarHBondContact O-CB 3.46Å; E30-K34 WeakPolarHBondContact O-CG 3.35Å; E30-K34 PolarHBondContact O-N 2.98Å; E30-K34 VanDerWaalsContact OE1-CE 3.31Å; E30-K34 WeakPolarHBondContact OE1-CE 3.4Å; E30-K34 IonicContact OE1-NZ 3.41Å; E30-K34 PolarHBondContact OE1-NZ 3.49Å |
| 31 | L | 98.4 | Very high | 98.1 | Very high | 88 Ų | 88 | 95 Ų | 95 | 46% | 0.461 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.5 | -38.4 | 176.3 | -71.7 | 173.3 | 0 | 0 | 0 | 112.1 | L27 I28 K34 L35 | L27-L31 HydrophobicContact CG-CD1 4.21Å; L27-L31 WeakPolarHBondContact O-CG 3.38Å; L27-L31 PolarHBondContact O-N 3.37Å; I28-L31 PolarHBondContact O-N 2.98Å; I28-L31 VanDerWaalsContact O-N 3.12Å; L31-K34 PolarHBondContact O-N 3.48Å; L31-L35 WeakPolarHBondContact O-CB 3.27Å; L31-L35 VanDerWaalsContact O-CG 3.31Å; L31-L35 WeakPolarHBondContact O-CG 3.44Å; L31-L35 PolarHBondContact O-N 3.41Å |
| 32 | E | 98.4 | Very high | 98.2 | Very high | 122 Ų | 122 | 97.4 Ų | 97.4 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.5 | -44.1 | 175.5 | -75 | 175.4 | 163.8 | 0 | 0 | 111.5 | I28 A29 L35 S36 | I28-E32 HydrophobicContact CG2-CG 4.23Å; I28-E32 WeakPolarHBondContact O-CB 3.35Å; I28-E32 VanDerWaalsContact O-CG 3.3Å; I28-E32 WeakPolarHBondContact O-CG 3.2Å; I28-E32 PolarHBondContact O-N 2.98Å; A29-E32 PolarHBondContact O-N 3.32Å; E32-L35 PolarHBondContact O-N 2.97Å; E32-S36 WeakPolarHBondContact O-CB 3.47Å; E32-S36 PolarHBondContact O-N 3.48Å |
| 33 | T | 98.1 | Very high | 98.2 | Very high | 79 Ų | 79 | 97.5 Ų | 97.5 | 49% | 0.485 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.9 | -47 | 174.3 | 49.3 | 0 | 0 | 0 | 0 | 111.8 | A29 E30 L35 S36 D37 | A29-T33 WeakPolarHBondContact O-CG2 3.3Å; A29-T33 PolarHBondContact O-N 3.41Å; A29-T33 PolarHBondContact O-OG1 3.46Å; E30-T33 WeakPolarHBondContact CA-OG1 3.33Å; E30-T33 PolarHBondContact O-OG1 3.38Å; T33-L35 VanDerWaalsContact C-N 3.34Å; T33-L35 PolarHBondContact O-N 3.29Å; T33-S36 WeakPolarHBondContact O-CB 3.49Å; T33-S36 PolarHBondContact O-N 3.27Å; T33-D37 PolarHBondContact O-N 3.05Å |
| 34 | K | 98.5 | Very high | 98.3 | Very high | 113 Ų | 113 | 97 Ų | 97 | 49% | 0.491 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.9 | -40.1 | 175.2 | -76.4 | 171.2 | 172.8 | 171.1 | 0 | 113.2 | E30 L31 L38 | E30-K34 HydrophobicContact CG-CD 4.39Å; E30-K34 WeakPolarHBondContact O-CB 3.46Å; E30-K34 WeakPolarHBondContact O-CG 3.35Å; E30-K34 PolarHBondContact O-N 2.98Å; E30-K34 VanDerWaalsContact OE1-CE 3.31Å; E30-K34 WeakPolarHBondContact OE1-CE 3.4Å; E30-K34 IonicContact OE1-NZ 3.41Å; E30-K34 PolarHBondContact OE1-NZ 3.49Å; L31-K34 PolarHBondContact O-N 3.48Å; K34-L38 WeakPolarHBondContact O-CB 3.5Å; K34-L38 PolarHBondContact O-N 3.38Å |
| 35 | L | 98.3 | Very high | 98.3 | Very high | 117 Ų | 117 | 97 Ų | 97 | 61% | 0.613 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.8 | -40.4 | 175.8 | -77.9 | 173.8 | 0 | 0 | 0 | 111.5 | L31 E32 T33 L38 R39 | L31-L35 WeakPolarHBondContact O-CB 3.27Å; L31-L35 VanDerWaalsContact O-CG 3.31Å; L31-L35 WeakPolarHBondContact O-CG 3.44Å; L31-L35 PolarHBondContact O-N 3.41Å; E32-L35 PolarHBondContact O-N 2.97Å; T33-L35 VanDerWaalsContact C-N 3.34Å; T33-L35 PolarHBondContact O-N 3.29Å; L35-L38 PolarHBondContact O-N 3.04Å; L35-R39 WeakPolarHBondContact O-CB 3.39Å; L35-R39 PolarHBondContact O-N 2.88Å |
| 36 | S | 98.2 | Very high | 98.3 | Very high | 67 Ų | 67 | 94.5 Ų | 94.5 | 47% | 0.469 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.1 | -46.8 | 174.5 | -171.9 | 0 | 0 | 0 | 0 | 111.6 | E32 T33 R39 M40 | E32-S36 WeakPolarHBondContact O-CB 3.47Å; E32-S36 PolarHBondContact O-N 3.48Å; T33-S36 WeakPolarHBondContact O-CB 3.49Å; T33-S36 PolarHBondContact O-N 3.27Å; S36-R39 PolarHBondContact O-N 3.4Å; S36-M40 WeakPolarHBondContact O-CG 3.42Å; S36-M40 PolarHBondContact O-N 2.86Å |
| 37 | D | 98.3 | Very high | 98.3 | Very high | 113 Ų | 113 | 94.4 Ų | 94.4 | 60% | 0.604 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.2 | -43.2 | 177.5 | -71.4 | -15.1 | 0 | 0 | 0 | 112.1 | T33 R39 M40 K41 | T33-D37 PolarHBondContact O-N 3.05Å; D37-R39 VanDerWaalsContact C-N 3.34Å; D37-M40 PolarHBondContact O-N 3Å; D37-K41 WeakPolarHBondContact O-CB 3.47Å; D37-K41 PolarHBondContact O-N 3.41Å |
| 38 | L | 98.4 | Very high | 98.3 | Very high | 110 Ų | 110 | 95.3 Ų | 95.3 | 58% | 0.576 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.1 | -39.9 | 177.9 | -174.3 | 62.2 | 0 | 0 | 0 | 111.6 | K34 L35 K41 Y42 | K34-L38 WeakPolarHBondContact O-CB 3.5Å; K34-L38 PolarHBondContact O-N 3.38Å; L35-L38 PolarHBondContact O-N 3.04Å; L38-K41 PolarHBondContact O-N 2.93Å; L38-Y42 WeakPolarHBondContact O-CB 3.45Å; L38-Y42 PolarHBondContact O-N 3.32Å |
| 39 | R | 98.5 | Very high | 98.4 | Very high | 178 Ų | 178 | 98.2 Ų | 98.2 | 67% | 0.672 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.9 | -47.1 | 174.1 | -178.5 | 178.4 | 179.9 | -173.3 | 1.6 | 111 | L35 S36 D37 K41 Y42 D43 | L35-R39 WeakPolarHBondContact O-CB 3.39Å; L35-R39 PolarHBondContact O-N 2.88Å; S36-R39 PolarHBondContact O-N 3.4Å; D37-R39 VanDerWaalsContact C-N 3.34Å; R39-K41 VanDerWaalsContact C-N 3.33Å; R39-K41 PolarHBondContact O-N 2.98Å; R39-Y42 PolarHBondContact O-N 3.14Å; R39-D43 PolarHBondContact O-N 3.38Å |
| 40 | M | 98.3 | Very high | 98.4 | Very high | 104 Ų | 104 | 102.2 Ų | 102.2 | 51% | 0.512 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.7 | -39.8 | 178.4 | -73.5 | -79.8 | 72.8 | 0 | 0 | 112.9 | S36 D37 D43 T44 | S36-M40 WeakPolarHBondContact O-CG 3.42Å; S36-M40 PolarHBondContact O-N 2.86Å; D37-M40 PolarHBondContact O-N 3Å; M40-D43 HydrophobicContact CE-CB 4.18Å; M40-D43 WeakPolarHBondContact CE-OD2 3.36Å; M40-T44 VanDerWaalsContact O-CB 3.3Å; M40-T44 WeakPolarHBondContact O-CB 3.23Å; M40-T44 PolarHBondContact O-N 3.05Å; M40-T44 PolarHBondContact O-OG1 2.86Å |
| 41 | K | 98.3 | Very high | 98.4 | Very high | 130 Ų | 130 | 103.7 Ų | 103.7 | 57% | 0.565 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.1 | -45.9 | 173.4 | -175.9 | -174.9 | 174 | -172.1 | 0 | 111.6 | D37 L38 R39 T44 D45 | D37-K41 WeakPolarHBondContact O-CB 3.47Å; D37-K41 PolarHBondContact O-N 3.41Å; L38-K41 PolarHBondContact O-N 2.93Å; R39-K41 VanDerWaalsContact C-N 3.33Å; R39-K41 PolarHBondContact O-N 2.98Å; K41-T44 PolarHBondContact O-N 3.32Å; K41-D45 WeakPolarHBondContact O-CB 3.22Å; K41-D45 PolarHBondContact O-N 3.41Å |
| 42 | Y | 98.4 | Very high | 98.4 | Very high | 158 Ų | 158 | 105.4 Ų | 105.4 | 62% | 0.62 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.3 | -49.5 | 178.3 | 179.6 | -94 | 0 | 0 | 0 | 111.6 | L38 R39 T44 D45 C46 | L38-Y42 WeakPolarHBondContact O-CB 3.45Å; L38-Y42 PolarHBondContact O-N 3.32Å; R39-Y42 PolarHBondContact O-N 3.14Å; Y42-T44 VanDerWaalsContact C-N 3.29Å; Y42-T44 PolarHBondContact O-N 3.48Å; Y42-D45 PolarHBondContact O-N 3.17Å; Y42-C46 WeakPolarHBondContact CE1-SG 3.4Å; Y42-C46 WeakPolarHBondContact O-CB 3.35Å; Y42-C46 PolarHBondContact O-N 3.33Å; Y42-C46 PolarHBondContact O-SG 2.92Å |
| 43 | D | 98.3 | Very high | 98.4 | Very high | 59 Ų | 59 | 104.7 Ų | 104.7 | 32% | 0.316 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.4 | -42.4 | 178.4 | -68.6 | -18.7 | 0 | 0 | 0 | 110.9 | R39 M40 C46 C47 | R39-D43 PolarHBondContact O-N 3.38Å; M40-D43 HydrophobicContact CE-CB 4.18Å; M40-D43 WeakPolarHBondContact CE-OD2 3.36Å; D43-C46 PolarHBondContact O-N 2.86Å; D43-C47 PolarHBondContact O-N 3.14Å; D43-C47 PolarHBondContact O-SG 3.5Å |
| 44 | T | 98.4 | Very high | 98.4 | Very high | 70 Ų | 70 | 107.6 Ų | 107.6 | 43% | 0.429 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62 | -45.1 | 176.4 | -60.2 | 0 | 0 | 0 | 0 | 112.1 | M40 K41 Y42 C47 K48 | M40-T44 VanDerWaalsContact O-CB 3.3Å; M40-T44 WeakPolarHBondContact O-CB 3.23Å; M40-T44 PolarHBondContact O-N 3.05Å; M40-T44 PolarHBondContact O-OG1 2.86Å; K41-T44 PolarHBondContact O-N 3.32Å; Y42-T44 VanDerWaalsContact C-N 3.29Å; Y42-T44 PolarHBondContact O-N 3.48Å; T44-C47 PolarHBondContact O-N 3.22Å; T44-K48 WeakPolarHBondContact O-CG 3.42Å; T44-K48 PolarHBondContact O-N 2.8Å; T44-K48 VanDerWaalsContact O-N 3.13Å |
| 45 | D | 98.5 | Very high | 98.4 | Very high | 47 Ų | 47 | 106.8 Ų | 106.8 | 25% | 0.251 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.8 | -36.5 | -179.7 | -72.6 | -17.4 | 0 | 0 | 0 | 111.5 | K41 Y42 K48 Y49 | K41-D45 WeakPolarHBondContact O-CB 3.22Å; K41-D45 PolarHBondContact O-N 3.41Å; Y42-D45 PolarHBondContact O-N 3.17Å; D45-K48 PolarHBondContact O-N 2.91Å; D45-K48 IonicContact OD1-NZ 3.88Å; D45-K48 PolarHBondContact OD1-NZ 2.93Å; D45-Y49 HydrophobicContact CB-CD2 4.47Å; D45-Y49 HydrophobicContact CB-CE2 4.19Å; D45-Y49 WeakPolarHBondContact O-CD2 3.31Å; D45-Y49 PolarHBondContact O-N 3.48Å |
| 46 | C | 98.4 | Very high | 98.4 | Very high | 37 Ų | 37 | 105.6 Ų | 105.6 | 25% | 0.25 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -55.6 | -51.8 | 170.3 | -78 | 0 | 0 | 0 | 0 | 111.5 | Y42 D43 K48 Y49 E50 | Y42-C46 WeakPolarHBondContact CE1-SG 3.4Å; Y42-C46 WeakPolarHBondContact O-CB 3.35Å; Y42-C46 PolarHBondContact O-N 3.33Å; Y42-C46 PolarHBondContact O-SG 2.92Å; D43-C46 PolarHBondContact O-N 2.86Å; C46-K48 VanDerWaalsContact C-N 3.32Å; C46-K48 PolarHBondContact O-N 3.09Å; C46-Y49 PolarHBondContact O-N 3.15Å; C46-Y49 VanDerWaalsContact O-N 3.16Å; C46-E50 WeakPolarHBondContact O-CG 3.38Å; C46-E50 PolarHBondContact O-N 3.39Å |
| 47 | C | 98.3 | Very high | 98.5 | Very high | 78 Ų | 78 | 105.9 Ų | 105.9 | 53% | 0.527 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.5 | -41.9 | 177.8 | -66.5 | 0 | 0 | 0 | 0 | 112.5 | D43 T44 Y49 E50 E51 | D43-C47 PolarHBondContact O-N 3.14Å; D43-C47 PolarHBondContact O-SG 3.5Å; T44-C47 PolarHBondContact O-N 3.22Å; C47-Y49 PolarHBondContact O-N 3.15Å; C47-E50 PolarHBondContact O-N 2.73Å; C47-E51 PolarHBondContact O-N 2.99Å |
| 48 | K | 98.5 | Very high | 98.5 | Very high | 115 Ų | 115 | 105.2 Ų | 105.2 | 50% | 0.5 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.5 | -41 | 176.7 | -70.9 | 171.6 | -168.6 | 155.4 | 0 | 112.6 | T44 D45 C46 K52 | T44-K48 WeakPolarHBondContact O-CG 3.42Å; T44-K48 PolarHBondContact O-N 2.8Å; T44-K48 VanDerWaalsContact O-N 3.13Å; D45-K48 PolarHBondContact O-N 2.91Å; D45-K48 IonicContact OD1-NZ 3.88Å; D45-K48 PolarHBondContact OD1-NZ 2.93Å; C46-K48 VanDerWaalsContact C-N 3.32Å; C46-K48 PolarHBondContact O-N 3.09Å; K48-K52 WeakPolarHBondContact O-CB 3.18Å; K48-K52 PolarHBondContact O-N 3.4Å |
| 49 | Y | 98.5 | Very high | 98.5 | Very high | 145 Ų | 145 | 108.7 Ų | 108.7 | 57% | 0.569 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -72.9 | -36.9 | -179.9 | -71.8 | -57.2 | 0 | 0 | 0 | 112 | D45 C46 C47 K52 I53 | D45-Y49 HydrophobicContact CB-CD2 4.47Å; D45-Y49 HydrophobicContact CB-CE2 4.19Å; D45-Y49 WeakPolarHBondContact O-CD2 3.31Å; D45-Y49 PolarHBondContact O-N 3.48Å; C46-Y49 PolarHBondContact O-N 3.15Å; C46-Y49 VanDerWaalsContact O-N 3.16Å; C47-Y49 PolarHBondContact O-N 3.15Å; Y49-K52 PolarHBondContact O-N 2.89Å; Y49-I53 WeakPolarHBondContact O-CB 3.39Å; Y49-I53 VanDerWaalsContact O-CG1 3.24Å; Y49-I53 WeakPolarHBondContact O-CG1 3.33Å; Y49-I53 PolarHBondContact O-N 3.34Å |
| 50 | E | 98.6 | Very high | 98.5 | Very high | 130 Ų | 130 | 105.3 Ų | 105.3 | 61% | 0.607 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60 | -47.5 | 172.6 | -73.5 | 173.9 | 175.2 | 0 | 0 | 111.4 | C46 C47 K52 I53 Q54 | C46-E50 WeakPolarHBondContact O-CG 3.38Å; C46-E50 PolarHBondContact O-N 3.39Å; C47-E50 PolarHBondContact O-N 2.73Å; E50-K52 PolarHBondContact O-N 2.86Å; E50-I53 PolarHBondContact O-N 3.45Å; E50-Q54 WeakPolarHBondContact O-CB 3.46Å; E50-Q54 PolarHBondContact O-N 3.05Å |
| 51 | E | 98.6 | Very high | 98.5 | Very high | 117 Ų | 117 | 105.2 Ų | 105.2 | 55% | 0.547 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 175.4 | -176.1 | -179.1 | -164.9 | 0 | 0 | 111.6 | C47 I53 Q54 I55 | C47-E51 PolarHBondContact O-N 2.99Å; E51-I53 PolarHBondContact O-N 3.24Å; E51-Q54 WeakPolarHBondContact O-CB 3.44Å; E51-Q54 PolarHBondContact O-N 3.35Å; E51-I55 HydrophobicContact CG-CD1 4.03Å; E51-I55 WeakPolarHBondContact O-CG1 3.45Å; E51-I55 PolarHBondContact O-N 2.95Å |
| 52 | K | 98.6 | Very high | 98.5 | Very high | 124 Ų | 124 | 106.7 Ų | 106.7 | 54% | 0.539 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 178 | -175.1 | 175.9 | -179.7 | 179.1 | 0 | 112.3 | K48 Y49 E50 Q54 I55 L56 | K48-K52 WeakPolarHBondContact O-CB 3.18Å; K48-K52 PolarHBondContact O-N 3.4Å; Y49-K52 PolarHBondContact O-N 2.89Å; E50-K52 PolarHBondContact O-N 2.86Å; K52-Q54 VanDerWaalsContact C-N 3.33Å; K52-I55 PolarHBondContact O-N 3.38Å; K52-L56 HydrophobicContact CG-CD1 4.21Å; K52-L56 WeakPolarHBondContact O-CB 3.42Å; K52-L56 WeakPolarHBondContact O-CG 3.5Å; K52-L56 PolarHBondContact O-N 2.93Å |
| 53 | I | 98.7 | Very high | 98.5 | Very high | 107 Ų | 107 | 104.7 Ų | 104.7 | 55% | 0.549 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 176 | -71.7 | 166.1 | 0 | 0 | 0 | 109.9 | Y49 E50 E51 L56 T57 | Y49-I53 WeakPolarHBondContact O-CB 3.39Å; Y49-I53 VanDerWaalsContact O-CG1 3.24Å; Y49-I53 WeakPolarHBondContact O-CG1 3.33Å; Y49-I53 PolarHBondContact O-N 3.34Å; E50-I53 PolarHBondContact O-N 3.45Å; E51-I53 PolarHBondContact O-N 3.24Å; I53-L56 PolarHBondContact O-N 2.68Å; I53-T57 WeakPolarHBondContact O-CB 3.38Å; I53-T57 PolarHBondContact O-N 2.91Å; I53-T57 PolarHBondContact O-OG1 3.48Å |
| 54 | Q | 98.6 | Very high | 98.5 | Very high | 141 Ų | 141 | 104.5 Ų | 104.5 | 66% | 0.659 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.8 | -47.9 | 177.2 | -172 | 177.5 | 15.6 | 0 | 0 | 111.8 | E50 E51 K52 L56 T57 E58 | E50-Q54 WeakPolarHBondContact O-CB 3.46Å; E50-Q54 PolarHBondContact O-N 3.05Å; E51-Q54 WeakPolarHBondContact O-CB 3.44Å; E51-Q54 PolarHBondContact O-N 3.35Å; K52-Q54 VanDerWaalsContact C-N 3.33Å; Q54-L56 PolarHBondContact O-N 2.94Å; Q54-T57 PolarHBondContact O-N 2.97Å; Q54-E58 PolarHBondContact O-N 3.42Å |
| 55 | I | 98.6 | Very high | 98.5 | Very high | 95 Ų | 95 | 104.3 Ų | 104.3 | 49% | 0.487 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 177.3 | -68.5 | 166.7 | 0 | 0 | 0 | 111.4 | E51 K52 T57 E58 R59 | E51-I55 HydrophobicContact CG-CD1 4.03Å; E51-I55 WeakPolarHBondContact O-CG1 3.45Å; E51-I55 PolarHBondContact O-N 2.95Å; K52-I55 PolarHBondContact O-N 3.38Å; I55-T57 VanDerWaalsContact C-N 3.35Å; I55-E58 PolarHBondContact O-N 2.98Å; I55-R59 WeakPolarHBondContact O-CB 3.5Å; I55-R59 PolarHBondContact O-N 3.28Å |
| 56 | L | 98.4 | Very high | 98.5 | Very high | 92 Ų | 92 | 104 Ų | 104 | 48% | 0.482 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.5 | -38.4 | 179 | -74.5 | 173.5 | 0 | 0 | 0 | 112.1 | K52 I53 Q54 R59 H60 | K52-L56 HydrophobicContact CG-CD1 4.21Å; K52-L56 WeakPolarHBondContact O-CB 3.42Å; K52-L56 WeakPolarHBondContact O-CG 3.5Å; K52-L56 PolarHBondContact O-N 2.93Å; I53-L56 PolarHBondContact O-N 2.68Å; Q54-L56 PolarHBondContact O-N 2.94Å; L56-R59 PolarHBondContact O-N 3.34Å; L56-H60 WeakPolarHBondContact O-CB 3.49Å; L56-H60 PolarHBondContact O-N 3.18Å |
| 57 | T | 98.7 | Very high | 98.5 | Very high | 73 Ų | 73 | 108.3 Ų | 108.3 | 45% | 0.448 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.3 | -49.2 | 176 | -56.8 | 0 | 0 | 0 | 0 | 110.2 | I53 Q54 I55 R59 H60 E61 | I53-T57 WeakPolarHBondContact O-CB 3.38Å; I53-T57 PolarHBondContact O-N 2.91Å; I53-T57 PolarHBondContact O-OG1 3.48Å; Q54-T57 PolarHBondContact O-N 2.97Å; I55-T57 VanDerWaalsContact C-N 3.35Å; T57-R59 VanDerWaalsContact C-N 3.32Å; T57-R59 PolarHBondContact O-N 3.17Å; T57-H60 WeakPolarHBondContact O-CB 3.46Å; T57-H60 PolarHBondContact O-N 2.89Å; T57-H60 VanDerWaalsContact O-N 3.09Å; T57-E61 WeakPolarHBondContact O-CG 3.48Å; T57-E61 PolarHBondContact O-N 3.38Å |
| 58 | E | 98.6 | Very high | 98.5 | Very high | 100 Ų | 100 | 110.3 Ų | 110.3 | 47% | 0.467 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.3 | -42.4 | 176.9 | -171.5 | -176.6 | -174.7 | 0 | 0 | 112 | Q54 I55 H60 E61 R62 | Q54-E58 PolarHBondContact O-N 3.42Å; I55-E58 PolarHBondContact O-N 2.98Å; E58-H60 VanDerWaalsContact C-N 3.31Å; E58-H60 PolarHBondContact O-N 3.14Å; E58-E61 PolarHBondContact O-N 3.11Å; E58-R62 VanDerWaalsContact CD-NH2 3.32Å; E58-R62 WeakPolarHBondContact O-CG 3.36Å; E58-R62 PolarHBondContact O-N 3.45Å; E58-R62 IonicContact OE1-CZ 2.73Å; E58-R62 IonicContact OE1-NE 3.76Å; E58-R62 PolarHBondContact OE1-NE 3.18Å; E58-R62 IonicContact OE1-NH2 3.41Å; E58-R62 PolarHBondContact OE1-NH2 2.81Å; E58-R62 IonicContact OE2-NH2 2.65Å |
| 59 | R | 98.6 | Very high | 98.5 | Very high | 183 Ų | 183 | 111.8 Ų | 111.8 | 69% | 0.691 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.6 | -41.2 | 174.9 | -177.9 | 179.3 | 178.4 | 177.3 | 0.3 | 111.8 | I55 L56 T57 L63 | I55-R59 WeakPolarHBondContact O-CB 3.5Å; I55-R59 PolarHBondContact O-N 3.28Å; L56-R59 PolarHBondContact O-N 3.34Å; T57-R59 VanDerWaalsContact C-N 3.32Å; T57-R59 PolarHBondContact O-N 3.17Å; R59-L63 WeakPolarHBondContact O-CB 3.25Å; R59-L63 PolarHBondContact O-N 2.77Å |
| 60 | H | 98.8 | Very high | 98.5 | Very high | 107 Ų | 107 | 108.6 Ų | 108.6 | 50% | 0.495 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.5 | -45.9 | 178.1 | -173.8 | 63.5 | 0 | 0 | 0 | 111.5 | L56 T57 E58 R62 L63 I64 | L56-H60 WeakPolarHBondContact O-CB 3.49Å; L56-H60 PolarHBondContact O-N 3.18Å; T57-H60 WeakPolarHBondContact O-CB 3.46Å; T57-H60 PolarHBondContact O-N 2.89Å; T57-H60 VanDerWaalsContact O-N 3.09Å; E58-H60 VanDerWaalsContact C-N 3.31Å; E58-H60 PolarHBondContact O-N 3.14Å; H60-R62 PolarHBondContact O-N 3Å; H60-L63 WeakPolarHBondContact O-CB 3.48Å; H60-L63 PolarHBondContact O-N 3.33Å; H60-L63 VanDerWaalsContact O-N 3.12Å; H60-I64 VanDerWaalsContact NE2-CD1 3.31Å; H60-I64 WeakPolarHBondContact NE2-CD1 3.37Å; H60-I64 WeakPolarHBondContact O-CG1 3.47Å; H60-I64 PolarHBondContact O-N 3.32Å |
| 61 | E | 98.6 | Very high | 98.5 | Very high | 101 Ų | 101 | 105.7 Ų | 105.7 | 47% | 0.472 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 177 | -69.7 | -53.8 | 135.7 | 0 | 0 | 112.4 | T57 E58 L63 I64 S65 | T57-E61 WeakPolarHBondContact O-CG 3.48Å; T57-E61 PolarHBondContact O-N 3.38Å; E58-E61 PolarHBondContact O-N 3.11Å; E61-L63 VanDerWaalsContact C-N 3.32Å; E61-L63 PolarHBondContact O-N 2.87Å; E61-I64 PolarHBondContact O-N 3.42Å; E61-S65 WeakPolarHBondContact O-CB 3.36Å; E61-S65 PolarHBondContact O-N 3.23Å; E61-S65 PolarHBondContact O-OG 3.46Å |
| 62 | R | 98.4 | Very high | 98.5 | Very high | 162 Ų | 162 | 106.7 Ų | 106.7 | 61% | 0.611 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.8 | -40.1 | 173.9 | -70.5 | 179.4 | -167.2 | -167.7 | 7.2 | 111.7 | E58 H60 S66 | E58-R62 VanDerWaalsContact CD-NH2 3.32Å; E58-R62 WeakPolarHBondContact O-CG 3.36Å; E58-R62 PolarHBondContact O-N 3.45Å; E58-R62 IonicContact OE1-CZ 2.73Å; E58-R62 IonicContact OE1-NE 3.76Å; E58-R62 PolarHBondContact OE1-NE 3.18Å; E58-R62 IonicContact OE1-NH2 3.41Å; E58-R62 PolarHBondContact OE1-NH2 2.81Å; E58-R62 IonicContact OE2-NH2 2.65Å; H60-R62 PolarHBondContact O-N 3Å; R62-S66 WeakPolarHBondContact O-CB 3.4Å; R62-S66 PolarHBondContact O-N 2.87Å |
| 63 | L | 98.5 | Very high | 98.5 | Very high | 115 Ų | 115 | 104.5 Ų | 104.5 | 60% | 0.602 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.8 | -46 | 178 | -178.2 | 63 | 0 | 0 | 0 | 111.6 | R59 H60 E61 S65 S66 H67 | R59-L63 WeakPolarHBondContact O-CB 3.25Å; R59-L63 PolarHBondContact O-N 2.77Å; H60-L63 WeakPolarHBondContact O-CB 3.48Å; H60-L63 PolarHBondContact O-N 3.33Å; H60-L63 VanDerWaalsContact O-N 3.12Å; E61-L63 VanDerWaalsContact C-N 3.32Å; E61-L63 PolarHBondContact O-N 2.87Å; L63-S65 VanDerWaalsContact C-N 3.33Å; L63-S65 PolarHBondContact O-N 3.42Å; L63-S66 PolarHBondContact O-N 2.8Å; L63-H67 WeakPolarHBondContact O-CB 3.37Å; L63-H67 PolarHBondContact O-N 3.37Å |
| 64 | I | 98.6 | Very high | 98.5 | Very high | 55 Ų | 55 | 103.3 Ų | 103.3 | 28% | 0.282 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.5 | -48.4 | 174.9 | -71.9 | 171.3 | 0 | 0 | 0 | 110.1 | H60 E61 S66 H67 Q68 | H60-I64 VanDerWaalsContact NE2-CD1 3.31Å; H60-I64 WeakPolarHBondContact NE2-CD1 3.37Å; H60-I64 WeakPolarHBondContact O-CG1 3.47Å; H60-I64 PolarHBondContact O-N 3.32Å; E61-I64 PolarHBondContact O-N 3.42Å; I64-S66 VanDerWaalsContact C-N 3.32Å; I64-S66 PolarHBondContact O-N 3Å; I64-H67 PolarHBondContact O-N 2.95Å; I64-Q68 HydrophobicContact CG2-CG 4.31Å; I64-Q68 WeakPolarHBondContact O-CG 3.44Å; I64-Q68 PolarHBondContact O-N 2.93Å |
| 65 | S | 98.2 | Very high | 98.5 | Very high | 66 Ų | 66 | 102.3 Ų | 102.3 | 46% | 0.462 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.4 | -42.6 | 178.8 | -61.9 | 0 | 0 | 0 | 0 | 111.9 | E61 L63 R69 | E61-S65 WeakPolarHBondContact O-CB 3.36Å; E61-S65 PolarHBondContact O-N 3.23Å; E61-S65 PolarHBondContact O-OG 3.46Å; L63-S65 VanDerWaalsContact C-N 3.33Å; L63-S65 PolarHBondContact O-N 3.42Å; S65-R69 WeakPolarHBondContact O-CB 3.36Å; S65-R69 PolarHBondContact O-N 3.29Å; S65-R69 VanDerWaalsContact O-N 3.07Å |
| 66 | S | 98.2 | Very high | 98.4 | Very high | 42 Ų | 42 | 101 Ų | 101 | 29% | 0.294 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.4 | -42.1 | 175.7 | -168.9 | 0 | 0 | 0 | 0 | 112.3 | R62 L63 I64 R69 L70 | R62-S66 WeakPolarHBondContact O-CB 3.4Å; R62-S66 PolarHBondContact O-N 2.87Å; L63-S66 PolarHBondContact O-N 2.8Å; I64-S66 VanDerWaalsContact C-N 3.32Å; I64-S66 PolarHBondContact O-N 3Å; S66-R69 PolarHBondContact O-N 3.17Å; S66-R69 PolarHBondContact OG-NH2 2.89Å; S66-L70 WeakPolarHBondContact O-CG 3.33Å; S66-L70 PolarHBondContact O-N 3.37Å |
| 67 | H | 98.5 | Very high | 98.5 | Very high | 126 Ų | 126 | 101 Ų | 101 | 58% | 0.583 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.6 | -45.1 | 176.4 | 176.2 | -84.9 | 0 | 0 | 0 | 111.6 | L63 I64 R69 L70 S71 | L63-H67 WeakPolarHBondContact O-CB 3.37Å; L63-H67 PolarHBondContact O-N 3.37Å; I64-H67 PolarHBondContact O-N 2.95Å; H67-R69 VanDerWaalsContact C-N 3.33Å; H67-R69 PolarHBondContact O-N 3.18Å; H67-L70 PolarHBondContact O-N 2.86Å; H67-S71 WeakPolarHBondContact O-CB 3.49Å; H67-S71 PolarHBondContact O-N 3.48Å |
| 68 | Q | 98.5 | Very high | 98.4 | Very high | 121 Ų | 121 | 102.1 Ų | 102.1 | 57% | 0.565 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -59.8 | -43.5 | 176.3 | -73.7 | 172.7 | -11.6 | 0 | 0 | 111.7 | I64 S71 K72 | I64-Q68 HydrophobicContact CG2-CG 4.31Å; I64-Q68 WeakPolarHBondContact O-CG 3.44Å; I64-Q68 PolarHBondContact O-N 2.93Å; Q68-S71 PolarHBondContact O-N 2.93Å; Q68-K72 WeakPolarHBondContact O-CB 3.35Å; Q68-K72 PolarHBondContact O-N 3.3Å |
| 69 | R | 98.5 | Very high | 98.4 | Very high | 145 Ų | 145 | 102.5 Ų | 102.5 | 55% | 0.547 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 175.2 | -177.8 | -175.6 | 57.4 | 77.3 | 9.5 | 112.2 | S65 S66 H67 K72 L73 | S65-R69 WeakPolarHBondContact O-CB 3.36Å; S65-R69 PolarHBondContact O-N 3.29Å; S65-R69 VanDerWaalsContact O-N 3.07Å; S66-R69 PolarHBondContact O-N 3.17Å; S66-R69 PolarHBondContact OG-NH2 2.89Å; H67-R69 VanDerWaalsContact C-N 3.33Å; H67-R69 PolarHBondContact O-N 3.18Å; R69-K72 PolarHBondContact O-N 3.45Å; R69-L73 PolarHBondContact O-N 2.76Å |
| 70 | L | 98.4 | Very high | 98.4 | Very high | 79 Ų | 79 | 101.3 Ų | 101.3 | 41% | 0.414 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.7 | -42.2 | 176.2 | -78 | 170.8 | 0 | 0 | 0 | 111.9 | S66 H67 K72 L73 N74 | S66-L70 WeakPolarHBondContact O-CG 3.33Å; S66-L70 PolarHBondContact O-N 3.37Å; H67-L70 PolarHBondContact O-N 2.86Å; L70-K72 VanDerWaalsContact C-N 3.3Å; L70-K72 PolarHBondContact O-N 2.83Å; L70-L73 PolarHBondContact O-N 3.3Å; L70-N74 WeakPolarHBondContact O-CB 3.29Å; L70-N74 PolarHBondContact O-N 3.01Å |
| 71 | S | 98.1 | Very high | 98.4 | Very high | 68 Ų | 68 | 101.2 Ų | 101.2 | 48% | 0.476 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.9 | -40.7 | 176.2 | -173.2 | 0 | 0 | 0 | 0 | 111.4 | H67 Q68 N74 H75 | H67-S71 WeakPolarHBondContact O-CB 3.49Å; H67-S71 PolarHBondContact O-N 3.48Å; Q68-S71 PolarHBondContact O-N 2.93Å; S71-N74 PolarHBondContact O-N 3.42Å; S71-H75 WeakPolarHBondContact O-CB 3.45Å; S71-H75 PolarHBondContact O-N 2.96Å |
| 72 | K | 98.3 | Very high | 98.4 | Very high | 138 Ų | 138 | 101.9 Ų | 101.9 | 60% | 0.6 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.9 | -48.1 | 175.2 | -172.3 | -179.8 | 179.9 | -172.1 | 0 | 111.6 | Q68 R69 L70 N74 H75 E76 | Q68-K72 WeakPolarHBondContact O-CB 3.35Å; Q68-K72 PolarHBondContact O-N 3.3Å; R69-K72 PolarHBondContact O-N 3.45Å; L70-K72 VanDerWaalsContact C-N 3.3Å; L70-K72 PolarHBondContact O-N 2.83Å; K72-N74 VanDerWaalsContact C-N 3.3Å; K72-N74 PolarHBondContact O-N 2.79Å; K72-H75 PolarHBondContact O-N 3.14Å; K72-E76 WeakPolarHBondContact CE-OE1 3.25Å; K72-E76 WeakPolarHBondContact O-CG 3.5Å; K72-E76 PolarHBondContact O-N 2.94Å |
| 73 | L | 98.5 | Very high | 98.4 | Very high | 79 Ų | 79 | 98.4 Ų | 98.4 | 41% | 0.414 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.9 | -41.6 | 176.5 | 177.9 | 63.3 | 0 | 0 | 0 | 111.7 | R69 L70 E76 L77 | R69-L73 PolarHBondContact O-N 2.76Å; L70-L73 PolarHBondContact O-N 3.3Å; L73-E76 PolarHBondContact O-N 3.3Å; L73-L77 HydrophobicContact CD1-CD1 4.37Å; L73-L77 HydrophobicContact CD1-CG 4.35Å; L73-L77 HydrophobicContact CG-CD1 4.16Å; L73-L77 WeakPolarHBondContact O-CB 3.49Å; L73-L77 VanDerWaalsContact O-CG 3.29Å; L73-L77 WeakPolarHBondContact O-CG 3.41Å; L73-L77 PolarHBondContact O-N 2.97Å |
| 74 | N | 98.2 | Very high | 98.4 | Very high | 81 Ų | 81 | 97.2 Ų | 97.2 | 43% | 0.433 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.8 | -44 | 178 | -170.4 | 54.9 | 0 | 0 | 0 | 111.2 | L70 S71 K72 E76 L77 E78 | L70-N74 WeakPolarHBondContact O-CB 3.29Å; L70-N74 PolarHBondContact O-N 3.01Å; S71-N74 PolarHBondContact O-N 3.42Å; K72-N74 VanDerWaalsContact C-N 3.3Å; K72-N74 PolarHBondContact O-N 2.79Å; N74-E76 PolarHBondContact O-N 3.28Å; N74-L77 PolarHBondContact O-N 3.31Å; N74-E78 PolarHBondContact ND2-OE1 3.15Å; N74-E78 WeakPolarHBondContact O-CG 3.37Å; N74-E78 PolarHBondContact O-N 3.38Å |
| 75 | H | 98.3 | Very high | 98.4 | Very high | 120 Ų | 120 | 98.9 Ų | 98.9 | 56% | 0.556 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60 | -45.2 | 174.8 | -176.6 | 59.3 | 0 | 0 | 0 | 112.3 | S71 K72 L77 E78 E79 | S71-H75 WeakPolarHBondContact O-CB 3.45Å; S71-H75 PolarHBondContact O-N 2.96Å; K72-H75 PolarHBondContact O-N 3.14Å; H75-L77 VanDerWaalsContact C-N 3.29Å; H75-L77 PolarHBondContact O-N 2.88Å; H75-E78 PolarHBondContact O-N 3.19Å; H75-E79 PolarHBondContact O-N 3.45Å |
| 76 | E | 98.4 | Very high | 98.4 | Very high | 68 Ų | 68 | 102 Ų | 102 | 32% | 0.318 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.5 | -34.2 | 175.9 | -71.3 | 173.8 | -168.2 | 0 | 0 | 112.5 | K72 L73 N74 R80 | K72-E76 WeakPolarHBondContact CE-OE1 3.25Å; K72-E76 WeakPolarHBondContact O-CG 3.5Å; K72-E76 PolarHBondContact O-N 2.94Å; L73-E76 PolarHBondContact O-N 3.3Å; N74-E76 PolarHBondContact O-N 3.28Å; E76-R80 VanDerWaalsContact O-CG 3.25Å; E76-R80 WeakPolarHBondContact O-CG 3.34Å; E76-R80 PolarHBondContact O-N 3Å; E76-R80 VanDerWaalsContact O-N 3.15Å |
| 77 | L | 98.6 | Very high | 98.4 | Very high | 91 Ų | 91 | 107.1 Ų | 107.1 | 48% | 0.476 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -74.1 | -39.1 | 176.3 | -72.8 | 173.9 | 0 | 0 | 0 | 112.3 | L73 N74 H75 R80 L81 | L73-L77 HydrophobicContact CD1-CD1 4.37Å; L73-L77 HydrophobicContact CD1-CG 4.35Å; L73-L77 HydrophobicContact CG-CD1 4.16Å; L73-L77 WeakPolarHBondContact O-CB 3.49Å; L73-L77 VanDerWaalsContact O-CG 3.29Å; L73-L77 WeakPolarHBondContact O-CG 3.41Å; L73-L77 PolarHBondContact O-N 2.97Å; N74-L77 PolarHBondContact O-N 3.31Å; H75-L77 VanDerWaalsContact C-N 3.29Å; H75-L77 PolarHBondContact O-N 2.88Å; L77-R80 PolarHBondContact O-N 3.46Å; L77-L81 WeakPolarHBondContact O-CB 3.45Å; L77-L81 PolarHBondContact O-N 3.26Å |
| 78 | E | 98.4 | Very high | 98.4 | Very high | 98 Ų | 98 | 103.5 Ų | 103.5 | 46% | 0.458 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 174 | -74.5 | 170.1 | -173.9 | 0 | 0 | 111 | N74 H75 L81 L82 | N74-E78 PolarHBondContact ND2-OE1 3.15Å; N74-E78 WeakPolarHBondContact O-CG 3.37Å; N74-E78 PolarHBondContact O-N 3.38Å; H75-E78 PolarHBondContact O-N 3.19Å; E78-L81 PolarHBondContact O-N 2.96Å; E78-L82 WeakPolarHBondContact O-CG 3.45Å; E78-L82 PolarHBondContact O-N 2.91Å |
| 79 | E | 98.4 | Very high | 98.4 | Very high | 107 Ų | 107 | 101 Ų | 101 | 50% | 0.5 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.2 | -50.2 | 175.2 | -173.7 | 179.5 | -161.2 | 0 | 0 | 111.4 | H75 L81 L82 D83 | H75-E79 PolarHBondContact O-N 3.45Å; E79-L81 VanDerWaalsContact C-N 3.28Å; E79-L81 PolarHBondContact O-N 3.49Å; E79-L82 WeakPolarHBondContact O-CB 3.46Å; E79-L82 PolarHBondContact O-N 3.41Å; E79-L82 VanDerWaalsContact O-N 3.14Å; E79-D83 PolarHBondContact O-N 2.96Å |
| 80 | R | 98.5 | Very high | 98.4 | Very high | 158 Ų | 158 | 97.1 Ų | 97.1 | 60% | 0.596 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.2 | -35.7 | 177.1 | -72.9 | 174.5 | -175.1 | -164.7 | 4.2 | 113.4 | E76 L77 T84 | E76-R80 VanDerWaalsContact O-CG 3.25Å; E76-R80 WeakPolarHBondContact O-CG 3.34Å; E76-R80 PolarHBondContact O-N 3Å; E76-R80 VanDerWaalsContact O-N 3.15Å; L77-R80 PolarHBondContact O-N 3.46Å; R80-T84 WeakPolarHBondContact O-CB 3.49Å; R80-T84 PolarHBondContact O-N 3.3Å; R80-T84 PolarHBondContact O-OG1 3Å |
| 81 | L | 98.6 | Very high | 98.4 | Very high | 106 Ų | 106 | 98.4 Ų | 98.4 | 56% | 0.555 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.5 | -44.9 | 176.4 | 178.7 | 63.1 | 0 | 0 | 0 | 110.3 | L77 E78 E79 T84 I85 | L77-L81 WeakPolarHBondContact O-CB 3.45Å; L77-L81 PolarHBondContact O-N 3.26Å; E78-L81 PolarHBondContact O-N 2.96Å; E79-L81 VanDerWaalsContact C-N 3.28Å; E79-L81 PolarHBondContact O-N 3.49Å; L81-T84 PolarHBondContact O-N 3.49Å; L81-I85 HydrophobicContact CD1-CD1 4.07Å; L81-I85 HydrophobicContact CD1-CG1 4.35Å; L81-I85 HydrophobicContact CG-CD1 3.88Å; L81-I85 WeakPolarHBondContact O-CB 3.5Å; L81-I85 VanDerWaalsContact O-CG1 3.25Å; L81-I85 WeakPolarHBondContact O-CG1 3.19Å; L81-I85 PolarHBondContact O-N 3.26Å |
| 82 | L | 98.5 | Very high | 98.4 | Very high | 114 Ų | 114 | 100.2 Ų | 100.2 | 60% | 0.597 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.5 | -46.6 | 175.7 | -70.1 | 172.2 | 0 | 0 | 0 | 111.4 | E78 E79 T84 I85 E86 | E78-L82 WeakPolarHBondContact O-CG 3.45Å; E78-L82 PolarHBondContact O-N 2.91Å; E79-L82 WeakPolarHBondContact O-CB 3.46Å; E79-L82 PolarHBondContact O-N 3.41Å; E79-L82 VanDerWaalsContact O-N 3.14Å; L82-T84 VanDerWaalsContact C-N 3.31Å; L82-T84 PolarHBondContact O-N 2.82Å; L82-I85 PolarHBondContact O-N 3.42Å; L82-E86 PolarHBondContact O-N 3.38Å |
| 83 | D | 98.4 | Very high | 98.4 | Very high | 89 Ų | 89 | 99.1 Ų | 99.1 | 48% | 0.476 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.3 | -42.9 | 175.9 | -71.9 | -12.6 | 0 | 0 | 0 | 112.1 | E79 E86 K87 | E79-D83 PolarHBondContact O-N 2.96Å; D83-E86 PolarHBondContact O-N 3.38Å; D83-K87 WeakPolarHBondContact O-CB 3.31Å; D83-K87 PolarHBondContact O-N 3.44Å |
| 84 | T | 98.5 | Very high | 98.4 | Very high | 90 Ų | 90 | 100.9 Ų | 100.9 | 55% | 0.552 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.5 | -40.9 | 178.7 | -57.3 | 0 | 0 | 0 | 0 | 111 | R80 L81 L82 S88 | R80-T84 WeakPolarHBondContact O-CB 3.49Å; R80-T84 PolarHBondContact O-N 3.3Å; R80-T84 PolarHBondContact O-OG1 3Å; L81-T84 PolarHBondContact O-N 3.49Å; L82-T84 VanDerWaalsContact C-N 3.31Å; L82-T84 PolarHBondContact O-N 2.82Å; T84-S88 WeakPolarHBondContact O-CB 3.37Å; T84-S88 PolarHBondContact O-N 3.26Å; T84-S88 PolarHBondContact O-OG 2.95Å |
| 85 | I | 98.5 | Very high | 98.5 | Very high | 90 Ų | 90 | 101.5 Ų | 101.5 | 46% | 0.462 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.5 | -47.2 | 176.1 | -71.4 | 166.9 | 0 | 0 | 0 | 110 | L81 L82 K87 S88 S89 | L81-I85 HydrophobicContact CD1-CD1 4.07Å; L81-I85 HydrophobicContact CD1-CG1 4.35Å; L81-I85 HydrophobicContact CG-CD1 3.88Å; L81-I85 WeakPolarHBondContact O-CB 3.5Å; L81-I85 VanDerWaalsContact O-CG1 3.25Å; L81-I85 WeakPolarHBondContact O-CG1 3.19Å; L81-I85 PolarHBondContact O-N 3.26Å; L82-I85 PolarHBondContact O-N 3.42Å; I85-K87 PolarHBondContact O-N 2.95Å; I85-S88 WeakPolarHBondContact CA-OG 3.46Å; I85-S88 PolarHBondContact O-N 3.38Å; I85-S88 PolarHBondContact O-OG 3.43Å; I85-S89 WeakPolarHBondContact O-CB 3.41Å; I85-S89 PolarHBondContact O-N 3.36Å |
| 86 | E | 98.5 | Very high | 98.5 | Very high | 131 Ų | 131 | 99.3 Ų | 99.3 | 61% | 0.612 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.3 | -48.1 | 177.6 | -176 | 176 | -172.6 | 0 | 0 | 111.3 | L82 D83 S88 S89 T90 | L82-E86 PolarHBondContact O-N 3.38Å; D83-E86 PolarHBondContact O-N 3.38Å; E86-S88 PolarHBondContact O-N 2.98Å; E86-S89 WeakPolarHBondContact O-CB 3.35Å; E86-S89 PolarHBondContact O-N 3.07Å; E86-T90 WeakPolarHBondContact O-CG2 3.47Å; E86-T90 PolarHBondContact O-N 3.41Å; E86-T90 PolarHBondContact O-OG1 2.8Å |
| 87 | K | 98.5 | Very high | 98.5 | Very high | 151 Ų | 151 | 101.7 Ų | 101.7 | 66% | 0.657 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.5 | -45.7 | 175 | -174 | -179.5 | 176 | -175 | 0 | 111.9 | D83 I85 S89 T90 E91 | D83-K87 WeakPolarHBondContact O-CB 3.31Å; D83-K87 PolarHBondContact O-N 3.44Å; I85-K87 PolarHBondContact O-N 2.95Å; K87-S89 VanDerWaalsContact C-N 3.32Å; K87-S89 PolarHBondContact O-N 2.84Å; K87-T90 PolarHBondContact O-N 3.43Å; K87-T90 PolarHBondContact O-OG1 2.87Å; K87-E91 WeakPolarHBondContact O-CB 3.32Å; K87-E91 PolarHBondContact O-N 3.17Å |
| 88 | S | 98.3 | Very high | 98.5 | Very high | 49 Ų | 49 | 103.1 Ų | 103.1 | 34% | 0.343 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.1 | -36.6 | 177.8 | 73.3 | 0 | 0 | 0 | 0 | 112.3 | T84 I85 E86 E91 I92 | T84-S88 WeakPolarHBondContact O-CB 3.37Å; T84-S88 PolarHBondContact O-N 3.26Å; T84-S88 PolarHBondContact O-OG 2.95Å; I85-S88 WeakPolarHBondContact CA-OG 3.46Å; I85-S88 PolarHBondContact O-N 3.38Å; I85-S88 PolarHBondContact O-OG 3.43Å; E86-S88 PolarHBondContact O-N 2.98Å; S88-E91 PolarHBondContact O-N 3.47Å; S88-I92 WeakPolarHBondContact O-CB 3.37Å; S88-I92 WeakPolarHBondContact O-CD1 3.45Å; S88-I92 WeakPolarHBondContact O-CG1 3.32Å; S88-I92 PolarHBondContact O-N 3.24Å |
| 89 | S | 98.5 | Very high | 98.5 | Very high | 70 Ų | 70 | 102.7 Ų | 102.7 | 49% | 0.49 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66 | -42.2 | 177.5 | -172.7 | 0 | 0 | 0 | 0 | 111.3 | I85 E86 K87 Q93 | I85-S89 WeakPolarHBondContact O-CB 3.41Å; I85-S89 PolarHBondContact O-N 3.36Å; E86-S89 WeakPolarHBondContact O-CB 3.35Å; E86-S89 PolarHBondContact O-N 3.07Å; K87-S89 VanDerWaalsContact C-N 3.32Å; K87-S89 PolarHBondContact O-N 2.84Å; S89-Q93 WeakPolarHBondContact O-CB 3.35Å; S89-Q93 PolarHBondContact O-N 3.04Å |
| 90 | T | 98.3 | Very high | 98.5 | Very high | 63 Ų | 63 | 101.6 Ų | 101.6 | 39% | 0.387 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.4 | -40.8 | 175.9 | 56.3 | 0 | 0 | 0 | 0 | 111.9 | E86 K87 Q93 Q94 | E86-T90 WeakPolarHBondContact O-CG2 3.47Å; E86-T90 PolarHBondContact O-N 3.41Å; E86-T90 PolarHBondContact O-OG1 2.8Å; K87-T90 PolarHBondContact O-N 3.43Å; K87-T90 PolarHBondContact O-OG1 2.87Å; T90-Q93 PolarHBondContact O-N 3.44Å; T90-Q94 WeakPolarHBondContact O-CG 3.36Å; T90-Q94 PolarHBondContact O-N 3.45Å |
| 91 | E | 98.6 | Very high | 98.5 | Very high | 106 Ų | 106 | 97.9 Ų | 97.9 | 50% | 0.495 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.9 | -45 | 175.1 | -177.3 | 174.4 | -166.8 | 0 | 0 | 111.9 | K87 S88 Q93 Q94 L95 | K87-E91 WeakPolarHBondContact O-CB 3.32Å; K87-E91 PolarHBondContact O-N 3.17Å; S88-E91 PolarHBondContact O-N 3.47Å; E91-Q93 VanDerWaalsContact C-N 3.28Å; E91-Q93 PolarHBondContact O-N 2.93Å; E91-Q94 PolarHBondContact O-N 2.9Å; E91-L95 HydrophobicContact CG-CD1 3.99Å; E91-L95 HydrophobicContact CG-CG 4.42Å; E91-L95 WeakPolarHBondContact O-CB 3.43Å; E91-L95 WeakPolarHBondContact O-CG 3.35Å; E91-L95 PolarHBondContact O-N 3.12Å |
| 92 | I | 98.6 | Very high | 98.5 | Very high | 106 Ų | 106 | 96.8 Ų | 96.8 | 54% | 0.544 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.6 | -42.9 | 174.8 | -72.5 | 165 | 0 | 0 | 0 | 110.6 | S88 T96 | S88-I92 WeakPolarHBondContact O-CB 3.37Å; S88-I92 WeakPolarHBondContact O-CD1 3.45Å; S88-I92 WeakPolarHBondContact O-CG1 3.32Å; S88-I92 PolarHBondContact O-N 3.24Å; I92-T96 VanDerWaalsContact O-CB 3.31Å; I92-T96 WeakPolarHBondContact O-CB 3.45Å; I92-T96 PolarHBondContact O-N 2.89Å; I92-T96 PolarHBondContact O-OG1 2.92Å |
| 93 | Q | 98.4 | Very high | 98.5 | Very high | 115 Ų | 115 | 95.5 Ų | 95.5 | 54% | 0.537 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63 | -48.9 | 177.7 | -176.3 | 177.6 | -11.1 | 0 | 0 | 111.4 | S89 T90 E91 L95 T96 E97 | S89-Q93 WeakPolarHBondContact O-CB 3.35Å; S89-Q93 PolarHBondContact O-N 3.04Å; T90-Q93 PolarHBondContact O-N 3.44Å; E91-Q93 VanDerWaalsContact C-N 3.28Å; E91-Q93 PolarHBondContact O-N 2.93Å; Q93-L95 PolarHBondContact O-N 3.37Å; Q93-T96 WeakPolarHBondContact O-CB 2.98Å; Q93-T96 PolarHBondContact O-N 3.09Å; Q93-E97 WeakPolarHBondContact CG-OE1 3.45Å; Q93-E97 PolarHBondContact NE2-OE1 2.95Å; Q93-E97 VanDerWaalsContact NE2-OE1 3.11Å; Q93-E97 WeakPolarHBondContact O-CG 3.24Å; Q93-E97 PolarHBondContact O-N 3.42Å |
| 94 | Q | 98.5 | Very high | 98.5 | Very high | 115 Ų | 115 | 96.5 Ų | 96.5 | 54% | 0.537 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.7 | -48.5 | 177.8 | -73.3 | 173.6 | 3.8 | 0 | 0 | 111.9 | T90 E91 T96 E97 E98 | T90-Q94 WeakPolarHBondContact O-CG 3.36Å; T90-Q94 PolarHBondContact O-N 3.45Å; E91-Q94 PolarHBondContact O-N 2.9Å; Q94-T96 VanDerWaalsContact C-N 3.26Å; Q94-T96 PolarHBondContact O-N 3.43Å; Q94-E97 PolarHBondContact O-N 2.87Å; Q94-E97 VanDerWaalsContact O-N 3.17Å; Q94-E98 WeakPolarHBondContact O-CG 3.46Å; Q94-E98 PolarHBondContact O-N 3.48Å |
| 95 | L | 98.5 | Very high | 98.5 | Very high | 95 Ų | 95 | 95.6 Ų | 95.6 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.4 | -33.5 | 178 | -70.2 | 174.5 | 0 | 0 | 0 | 112.3 | E91 Q93 L99 | E91-L95 HydrophobicContact CG-CD1 3.99Å; E91-L95 HydrophobicContact CG-CG 4.42Å; E91-L95 WeakPolarHBondContact O-CB 3.43Å; E91-L95 WeakPolarHBondContact O-CG 3.35Å; E91-L95 PolarHBondContact O-N 3.12Å; Q93-L95 PolarHBondContact O-N 3.37Å; L95-L99 WeakPolarHBondContact O-CB 3.37Å; L95-L99 PolarHBondContact O-N 2.99Å |
| 96 | T | 98.6 | Very high | 98.5 | Very high | 74 Ų | 74 | 96.2 Ų | 96.2 | 45% | 0.454 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.6 | -42 | 175 | -58.9 | 0 | 0 | 0 | 0 | 111.1 | I92 Q93 Q94 L99 E100 | I92-T96 VanDerWaalsContact O-CB 3.31Å; I92-T96 WeakPolarHBondContact O-CB 3.45Å; I92-T96 PolarHBondContact O-N 2.89Å; I92-T96 PolarHBondContact O-OG1 2.92Å; Q93-T96 WeakPolarHBondContact O-CB 2.98Å; Q93-T96 PolarHBondContact O-N 3.09Å; Q94-T96 VanDerWaalsContact C-N 3.26Å; Q94-T96 PolarHBondContact O-N 3.43Å; T96-L99 PolarHBondContact O-N 2.65Å; T96-E100 PolarHBondContact O-N 3.07Å |
| 97 | E | 98.5 | Very high | 98.5 | Very high | 117 Ų | 117 | 95.2 Ų | 95.2 | 55% | 0.547 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64 | -44.1 | 175.4 | -70.6 | 173 | -165.2 | 0 | 0 | 111.6 | Q93 Q94 E100 S101 | Q93-E97 WeakPolarHBondContact CG-OE1 3.45Å; Q93-E97 PolarHBondContact NE2-OE1 2.95Å; Q93-E97 VanDerWaalsContact NE2-OE1 3.11Å; Q93-E97 WeakPolarHBondContact O-CG 3.24Å; Q93-E97 PolarHBondContact O-N 3.42Å; Q94-E97 PolarHBondContact O-N 2.87Å; Q94-E97 VanDerWaalsContact O-N 3.17Å; E97-E100 PolarHBondContact O-N 3.27Å; E97-S101 WeakPolarHBondContact O-CB 3.37Å; E97-S101 PolarHBondContact O-N 3.27Å |
| 98 | E | 98.6 | Very high | 98.5 | Very high | 121 Ų | 121 | 90.4 Ų | 90.4 | 57% | 0.565 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62.8 | -41.3 | 174.5 | -73 | -177.2 | -166.3 | 0 | 0 | 112.4 | Q94 S101 T102 | Q94-E98 WeakPolarHBondContact O-CG 3.46Å; Q94-E98 PolarHBondContact O-N 3.48Å; E98-S101 PolarHBondContact O-N 2.88Å; E98-T102 WeakPolarHBondContact O-CB 3.41Å; E98-T102 WeakPolarHBondContact O-CG2 3.45Å; E98-T102 PolarHBondContact O-N 3.37Å; E98-T102 PolarHBondContact O-OG1 3.28Å |
| 99 | L | 98.5 | Very high | 98.5 | Very high | 89 Ų | 89 | 90.7 Ų | 90.7 | 47% | 0.466 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 176 | -179.8 | 66.2 | 0 | 0 | 0 | 111.4 | L95 T96 T102 K103 | L95-L99 WeakPolarHBondContact O-CB 3.37Å; L95-L99 PolarHBondContact O-N 2.99Å; T96-L99 PolarHBondContact O-N 2.65Å; L99-T102 WeakPolarHBondContact CA-OG1 3.5Å; L99-T102 PolarHBondContact O-OG1 3.41Å; L99-K103 HydrophobicContact CG-CD 4.36Å; L99-K103 WeakPolarHBondContact O-CB 3.46Å; L99-K103 VanDerWaalsContact O-CG 3.23Å; L99-K103 WeakPolarHBondContact O-CG 3.3Å; L99-K103 PolarHBondContact O-N 2.9Å |
| 100 | E | 98.6 | Very high | 98.5 | Very high | 85 Ų | 85 | 92.1 Ų | 92.1 | 40% | 0.397 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -70 | -37.4 | 177.6 | -73.3 | -52.8 | 128.2 | 0 | 0 | 112.4 | T96 E97 K103 H104 R107 | T96-E100 PolarHBondContact O-N 3.07Å; E97-E100 PolarHBondContact O-N 3.27Å; E100-K103 PolarHBondContact O-N 3.02Å; E100-K103 WeakPolarHBondContact OE1-CD 3.49Å; E100-K103 IonicContact OE1-NZ 3.18Å; E100-K103 PolarHBondContact OE1-NZ 2.72Å; E100-H104 WeakPolarHBondContact O-CB 3.41Å; E100-H104 PolarHBondContact O-N 3.49Å; E100-R107 IonicContact OE2-NH2 3.8Å |
| 101 | S | 98.6 | Very high | 98.5 | Very high | 79 Ų | 79 | 95.4 Ų | 95.4 | 55% | 0.552 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.2 | -48 | 173 | -179.8 | 0 | 0 | 0 | 0 | 112 | E97 E98 H104 S105 | E97-S101 WeakPolarHBondContact O-CB 3.37Å; E97-S101 PolarHBondContact O-N 3.27Å; E98-S101 PolarHBondContact O-N 2.88Å; S101-H104 WeakPolarHBondContact O-CB 3.31Å; S101-H104 PolarHBondContact O-N 3.45Å; S101-S105 PolarHBondContact O-N 2.93Å |
| 102 | T | 98.3 | Very high | 98.5 | Very high | 84 Ų | 84 | 94.2 Ų | 94.2 | 52% | 0.515 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66 | -40.7 | 177.6 | 47.4 | 0 | 0 | 0 | 0 | 112.2 | E98 L99 H104 S105 L106 | E98-T102 WeakPolarHBondContact O-CB 3.41Å; E98-T102 WeakPolarHBondContact O-CG2 3.45Å; E98-T102 PolarHBondContact O-N 3.37Å; E98-T102 PolarHBondContact O-OG1 3.28Å; L99-T102 WeakPolarHBondContact CA-OG1 3.5Å; L99-T102 PolarHBondContact O-OG1 3.41Å; T102-H104 VanDerWaalsContact C-N 3.29Å; T102-H104 PolarHBondContact O-N 3.34Å; T102-S105 PolarHBondContact O-N 3.44Å; T102-L106 WeakPolarHBondContact O-CB 3.33Å; T102-L106 PolarHBondContact O-N 3.45Å |
| 103 | K | 98.5 | Very high | 98.5 | Very high | 86 Ų | 86 | 94.1 Ų | 94.1 | 37% | 0.374 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.6 | -39.2 | 171 | -77 | 173.8 | -174 | 167.5 | 0 | 112 | L99 E100 L106 R107 | L99-K103 HydrophobicContact CG-CD 4.36Å; L99-K103 WeakPolarHBondContact O-CB 3.46Å; L99-K103 VanDerWaalsContact O-CG 3.23Å; L99-K103 WeakPolarHBondContact O-CG 3.3Å; L99-K103 PolarHBondContact O-N 2.9Å; E100-K103 PolarHBondContact O-N 3.02Å; E100-K103 WeakPolarHBondContact OE1-CD 3.49Å; E100-K103 IonicContact OE1-NZ 3.18Å; E100-K103 PolarHBondContact OE1-NZ 2.72Å; K103-L106 PolarHBondContact O-N 3.36Å; K103-R107 WeakPolarHBondContact O-CG 3.35Å; K103-R107 PolarHBondContact O-N 3.2Å |
| 104 | H | 98.5 | Very high | 98.4 | Very high | 111 Ų | 111 | 93.2 Ų | 93.2 | 51% | 0.514 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.3 | -48.1 | 176.1 | -179.3 | 77.2 | 0 | 0 | 0 | 111.9 | E100 S101 T102 L106 R107 T108 | E100-H104 WeakPolarHBondContact O-CB 3.41Å; E100-H104 PolarHBondContact O-N 3.49Å; S101-H104 WeakPolarHBondContact O-CB 3.31Å; S101-H104 PolarHBondContact O-N 3.45Å; T102-H104 VanDerWaalsContact C-N 3.29Å; T102-H104 PolarHBondContact O-N 3.34Å; H104-L106 VanDerWaalsContact C-N 3.29Å; H104-L106 PolarHBondContact O-N 3.05Å; H104-R107 WeakPolarHBondContact O-CB 3.46Å; H104-R107 PolarHBondContact O-N 3.21Å; H104-R107 VanDerWaalsContact O-N 3.14Å; H104-T108 WeakPolarHBondContact O-CG2 3.32Å; H104-T108 PolarHBondContact O-N 2.98Å; H104-T108 PolarHBondContact O-OG1 2.93Å |
| 105 | S | 98.4 | Very high | 98.4 | Very high | 71 Ų | 71 | 91 Ų | 91 | 50% | 0.497 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.4 | -38.7 | 175.1 | -170.8 | 0 | 0 | 0 | 0 | 112.6 | S101 T102 T108 A109 | S101-S105 PolarHBondContact O-N 2.93Å; T102-S105 PolarHBondContact O-N 3.44Å; S105-T108 WeakPolarHBondContact CA-OG1 3.39Å; S105-T108 PolarHBondContact O-N 3.29Å; S105-T108 PolarHBondContact O-OG1 2.95Å; S105-A109 WeakPolarHBondContact O-CB 3.4Å; S105-A109 PolarHBondContact O-N 2.93Å |
| 106 | L | 98.5 | Very high | 98.4 | Very high | 102 Ų | 102 | 91.4 Ų | 91.4 | 53% | 0.534 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 174.5 | -179.1 | 62.4 | 0 | 0 | 0 | 111.7 | T102 K103 H104 A109 Q110 | T102-L106 WeakPolarHBondContact O-CB 3.33Å; T102-L106 PolarHBondContact O-N 3.45Å; K103-L106 PolarHBondContact O-N 3.36Å; H104-L106 VanDerWaalsContact C-N 3.29Å; H104-L106 PolarHBondContact O-N 3.05Å; L106-A109 PolarHBondContact O-N 3.44Å; L106-Q110 HydrophobicContact CD1-CG 4.48Å; L106-Q110 WeakPolarHBondContact O-CB 3.42Å; L106-Q110 VanDerWaalsContact O-CG 3.27Å; L106-Q110 WeakPolarHBondContact O-CG 3.4Å; L106-Q110 PolarHBondContact O-N 3.47Å |
| 107 | R | 98.6 | Very high | 98.4 | Very high | 110 Ų | 110 | 90.4 Ų | 90.4 | 42% | 0.415 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62 | -42.2 | 177 | -76 | -177.4 | -115.3 | 108.7 | -3.9 | 112 | E100 K103 H104 Q110 Q111 | E100-R107 IonicContact OE2-NH2 3.8Å; K103-R107 WeakPolarHBondContact O-CG 3.35Å; K103-R107 PolarHBondContact O-N 3.2Å; H104-R107 WeakPolarHBondContact O-CB 3.46Å; H104-R107 PolarHBondContact O-N 3.21Å; H104-R107 VanDerWaalsContact O-N 3.14Å; R107-Q110 PolarHBondContact O-N 2.98Å; R107-Q111 WeakPolarHBondContact O-CG 3.5Å; R107-Q111 PolarHBondContact O-N 3.03Å |
| 108 | T | 98.4 | Very high | 98.4 | Very high | 51 Ų | 51 | 90.3 Ų | 90.3 | 31% | 0.313 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.4 | -39.1 | 178.5 | 57.7 | 0 | 0 | 0 | 0 | 112 | H104 S105 Q111 T112 | H104-T108 WeakPolarHBondContact O-CG2 3.32Å; H104-T108 PolarHBondContact O-N 2.98Å; H104-T108 PolarHBondContact O-OG1 2.93Å; S105-T108 WeakPolarHBondContact CA-OG1 3.39Å; S105-T108 PolarHBondContact O-N 3.29Å; S105-T108 PolarHBondContact O-OG1 2.95Å; T108-Q111 PolarHBondContact O-N 2.94Å; T108-T112 PolarHBondContact O-N 3.19Å; T108-T112 PolarHBondContact O-OG1 3.18Å |
| 109 | A | 98.1 | Very high | 98.4 | Very high | 55 Ų | 55 | 89.3 Ų | 89.3 | 46% | 0.455 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | S105 L106 T112 L113 | S105-A109 WeakPolarHBondContact O-CB 3.4Å; S105-A109 PolarHBondContact O-N 2.93Å; L106-A109 PolarHBondContact O-N 3.44Å; A109-T112 PolarHBondContact O-N 3.4Å; A109-L113 WeakPolarHBondContact O-CB 3.3Å; A109-L113 PolarHBondContact O-N 3.16Å |
| 110 | Q | 98.5 | Very high | 98.3 | Very high | 100 Ų | 100 | 90.8 Ų | 90.8 | 47% | 0.467 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 175.2 | -75.2 | 173.5 | -28.8 | 0 | 0 | 112.3 | L106 R107 T112 L113 N114 | L106-Q110 HydrophobicContact CD1-CG 4.48Å; L106-Q110 WeakPolarHBondContact O-CB 3.42Å; L106-Q110 VanDerWaalsContact O-CG 3.27Å; L106-Q110 WeakPolarHBondContact O-CG 3.4Å; L106-Q110 PolarHBondContact O-N 3.47Å; R107-Q110 PolarHBondContact O-N 2.98Å; Q110-T112 VanDerWaalsContact C-N 3.33Å; Q110-T112 PolarHBondContact O-N 3.34Å; Q110-L113 PolarHBondContact O-N 3.13Å; Q110-N114 VanDerWaalsContact O-CG 3.25Å; Q110-N114 PolarHBondContact O-N 2.92Å; Q110-N114 PolarHBondContact O-ND2 3.41Å |
| 111 | Q | 98.4 | Very high | 98.3 | Very high | 132 Ų | 132 | 89.6 Ų | 89.6 | 62% | 0.617 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -61.6 | -42.3 | 175 | -74.5 | 172 | -17.6 | 0 | 0 | 112 | R107 T108 N114 S115 | R107-Q111 WeakPolarHBondContact O-CG 3.5Å; R107-Q111 PolarHBondContact O-N 3.03Å; T108-Q111 PolarHBondContact O-N 2.94Å; Q111-N114 PolarHBondContact O-N 3.44Å; Q111-S115 PolarHBondContact O-N 2.85Å |
| 112 | T | 98.5 | Very high | 98.3 | Very high | 81 Ų | 81 | 90.9 Ų | 90.9 | 50% | 0.497 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.3 | -43.3 | 177.9 | -55.7 | 0 | 0 | 0 | 0 | 111 | T108 A109 Q110 N114 S115 I116 | T108-T112 PolarHBondContact O-N 3.19Å; T108-T112 PolarHBondContact O-OG1 3.18Å; A109-T112 PolarHBondContact O-N 3.4Å; Q110-T112 VanDerWaalsContact C-N 3.33Å; Q110-T112 PolarHBondContact O-N 3.34Å; T112-N114 PolarHBondContact O-N 3.42Å; T112-S115 PolarHBondContact O-N 3.32Å; T112-I116 HydrophobicContact CG2-CD1 4.01Å; T112-I116 WeakPolarHBondContact O-CG1 3.35Å; T112-I116 PolarHBondContact O-N 2.88Å |
| 113 | L | 98.2 | Very high | 98.2 | Very high | 104 Ų | 104 | 90 Ų | 90 | 55% | 0.545 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58.9 | -47.2 | 175.5 | 178.2 | 63 | 0 | 0 | 0 | 111.4 | A109 Q110 S115 I116 V117 | A109-L113 WeakPolarHBondContact O-CB 3.3Å; A109-L113 PolarHBondContact O-N 3.16Å; Q110-L113 PolarHBondContact O-N 3.13Å; L113-S115 VanDerWaalsContact C-N 3.35Å; L113-S115 PolarHBondContact O-N 3.03Å; L113-I116 PolarHBondContact O-N 3.36Å; L113-V117 HydrophobicContact CD1-CG2 4.26Å; L113-V117 HydrophobicContact CG-CG2 4.48Å; L113-V117 VanDerWaalsContact O-CG2 3.3Å; L113-V117 WeakPolarHBondContact O-CG2 3.31Å; L113-V117 PolarHBondContact O-N 3.33Å |
| 114 | N | 98.2 | Very high | 98.2 | Very high | 95 Ų | 95 | 90.7 Ų | 90.7 | 51% | 0.508 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.4 | -45 | 178.4 | -69 | -13.5 | 0 | 0 | 0 | 111.4 | Q110 Q111 T112 I116 V117 E118 | Q110-N114 VanDerWaalsContact O-CG 3.25Å; Q110-N114 PolarHBondContact O-N 2.92Å; Q110-N114 PolarHBondContact O-ND2 3.41Å; Q111-N114 PolarHBondContact O-N 3.44Å; T112-N114 PolarHBondContact O-N 3.42Å; N114-I116 PolarHBondContact O-N 3.46Å; N114-V117 PolarHBondContact O-N 2.92Å; N114-E118 WeakPolarHBondContact O-CG 3.37Å; N114-E118 PolarHBondContact O-N 3.39Å |
| 115 | S | 98.3 | Very high | 98.2 | Very high | 68 Ų | 68 | 91.4 Ų | 91.4 | 48% | 0.476 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.1 | -43.5 | 176.1 | -179.8 | 0 | 0 | 0 | 0 | 112.6 | Q111 T112 L113 E118 E119 | Q111-S115 PolarHBondContact O-N 2.85Å; T112-S115 PolarHBondContact O-N 3.32Å; L113-S115 VanDerWaalsContact C-N 3.35Å; L113-S115 PolarHBondContact O-N 3.03Å; S115-E118 PolarHBondContact O-N 2.6Å; S115-E119 PolarHBondContact O-N 3.04Å |
| 116 | I | 98.2 | Very high | 98.1 | Very high | 104 Ų | 104 | 93.2 Ų | 93.2 | 53% | 0.533 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 176.1 | -68.5 | 168.6 | 0 | 0 | 0 | 111.2 | T112 L113 N114 E119 R120 | T112-I116 HydrophobicContact CG2-CD1 4.01Å; T112-I116 WeakPolarHBondContact O-CG1 3.35Å; T112-I116 PolarHBondContact O-N 2.88Å; L113-I116 PolarHBondContact O-N 3.36Å; N114-I116 PolarHBondContact O-N 3.46Å; I116-E119 PolarHBondContact O-N 2.8Å; I116-R120 WeakPolarHBondContact O-CB 3.49Å; I116-R120 PolarHBondContact O-N 3.4Å |
| 117 | V | 98.2 | Very high | 98.1 | Very high | 54 Ų | 54 | 91.7 Ų | 91.7 | 33% | 0.327 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.9 | -44.2 | 177.8 | 169.5 | 0 | 0 | 0 | 0 | 110.8 | L113 N114 R120 D121 | L113-V117 HydrophobicContact CD1-CG2 4.26Å; L113-V117 HydrophobicContact CG-CG2 4.48Å; L113-V117 VanDerWaalsContact O-CG2 3.3Å; L113-V117 WeakPolarHBondContact O-CG2 3.31Å; L113-V117 PolarHBondContact O-N 3.33Å; N114-V117 PolarHBondContact O-N 2.92Å; V117-R120 WeakPolarHBondContact O-CB 3.46Å; V117-R120 PolarHBondContact O-N 2.74Å; V117-D121 WeakPolarHBondContact O-CB 3.39Å; V117-D121 VanDerWaalsContact O-CG 3.28Å; V117-D121 PolarHBondContact O-N 2.98Å |
| 118 | E | 98 | Very high | 98 | Very high | 114 Ų | 114 | 90.9 Ų | 90.9 | 53% | 0.533 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 175.7 | -71.5 | 173.2 | -167.1 | 0 | 0 | 112.2 | N114 S115 D121 R122 | N114-E118 WeakPolarHBondContact O-CG 3.37Å; N114-E118 PolarHBondContact O-N 3.39Å; S115-E118 PolarHBondContact O-N 2.6Å; E118-D121 PolarHBondContact O-N 3.39Å; E118-R122 PolarHBondContact O-N 2.91Å; E118-R122 PolarHBondContact O-NH1 3.42Å |
| 119 | E | 98 | Very high | 97.8 | Very high | 100 Ų | 100 | 91.3 Ų | 91.3 | 47% | 0.467 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.8 | -41.1 | 175.1 | -177.1 | 59.1 | -139.7 | 0 | 0 | 112 | S115 I116 D121 R122 C123 | S115-E119 PolarHBondContact O-N 3.04Å; I116-E119 PolarHBondContact O-N 2.8Å; E119-D121 VanDerWaalsContact C-N 3.29Å; E119-D121 PolarHBondContact O-N 3.46Å; E119-R122 PolarHBondContact O-N 3.18Å; E119-R122 IonicContact OE2-CZ 3.26Å; E119-R122 VanDerWaalsContact OE2-CZ 3.26Å; E119-R122 IonicContact OE2-NE 3.17Å; E119-R122 PolarHBondContact OE2-NE 2.92Å; E119-R122 VanDerWaalsContact OE2-NE 3.17Å; E119-R122 IonicContact OE2-NH2 2.6Å; E119-R122 PolarHBondContact OE2-NH2 3.33Å; E119-C123 WeakPolarHBondContact O-CB 3.4Å; E119-C123 PolarHBondContact O-N 2.86Å |
| 120 | R | 97.7 | Very high | 97.7 | Very high | 120 Ų | 120 | 91 Ų | 91 | 45% | 0.453 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.3 | -42.3 | 175.4 | -173.3 | -76.6 | -53 | -110.9 | 4.6 | 110.8 | I116 V117 K124 | I116-R120 WeakPolarHBondContact O-CB 3.49Å; I116-R120 PolarHBondContact O-N 3.4Å; V117-R120 WeakPolarHBondContact O-CB 3.46Å; V117-R120 PolarHBondContact O-N 2.74Å; R120-K124 VanDerWaalsContact CZ-NZ 3.31Å; R120-K124 VanDerWaalsContact NH1-NZ 3.11Å; R120-K124 WeakPolarHBondContact O-CG 3.41Å; R120-K124 PolarHBondContact O-N 2.91Å |
| 121 | D | 98 | Very high | 97.5 | Very high | 61 Ų | 61 | 89.9 Ų | 89.9 | 33% | 0.326 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -69.6 | -41.3 | 179 | -68.9 | -18.4 | 0 | 0 | 0 | 111.6 | V117 E118 E119 K124 E125 | V117-D121 WeakPolarHBondContact O-CB 3.39Å; V117-D121 VanDerWaalsContact O-CG 3.28Å; V117-D121 PolarHBondContact O-N 2.98Å; E118-D121 PolarHBondContact O-N 3.39Å; E119-D121 VanDerWaalsContact C-N 3.29Å; E119-D121 PolarHBondContact O-N 3.46Å; D121-K124 WeakPolarHBondContact O-CB 3.3Å; D121-K124 PolarHBondContact O-N 2.97Å; D121-E125 WeakPolarHBondContact O-CG 3.43Å; D121-E125 PolarHBondContact O-N 3.24Å |
| 122 | R | 97.9 | Very high | 97.3 | Very high | 106 Ų | 106 | 89.2 Ų | 89.2 | 40% | 0.4 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -57 | -49.6 | 169.4 | -77.5 | -171.5 | -63.8 | -84.2 | 7.6 | 112.7 | E118 E119 K124 E125 D126 | E118-R122 PolarHBondContact O-N 2.91Å; E118-R122 PolarHBondContact O-NH1 3.42Å; E119-R122 PolarHBondContact O-N 3.18Å; E119-R122 IonicContact OE2-CZ 3.26Å; E119-R122 VanDerWaalsContact OE2-CZ 3.26Å; E119-R122 IonicContact OE2-NE 3.17Å; E119-R122 PolarHBondContact OE2-NE 2.92Å; E119-R122 VanDerWaalsContact OE2-NE 3.17Å; E119-R122 IonicContact OE2-NH2 2.6Å; E119-R122 PolarHBondContact OE2-NH2 3.33Å; R122-K124 PolarHBondContact O-N 2.93Å; R122-E125 WeakPolarHBondContact O-CA 3.49Å; R122-E125 WeakPolarHBondContact O-CB 3.42Å; R122-E125 PolarHBondContact O-N 2.96Å; R122-D126 PolarHBondContact O-N 3.12Å |
| 123 | C | 97.7 | Very high | 96.9 | Very high | 64 Ų | 64 | 89.7 Ų | 89.7 | 43% | 0.432 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.2 | -35 | 179.5 | 179.5 | 0 | 0 | 0 | 0 | 111.9 | E119 D126 C127 | E119-C123 WeakPolarHBondContact O-CB 3.4Å; E119-C123 PolarHBondContact O-N 2.86Å; C123-D126 PolarHBondContact O-N 2.88Å; C123-C127 WeakPolarHBondContact O-CB 3.27Å; C123-C127 PolarHBondContact O-N 3.37Å; C123-C127 PolarHBondContact O-SG 3.03Å |
| 124 | K | 98 | Very high | 96.5 | Very high | 102 Ų | 102 | 89 Ų | 89 | 44% | 0.443 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64 | -44.5 | 171.2 | -79.4 | 175.1 | 171.2 | 176.1 | 0 | 111.9 | R120 D121 R122 D126 C127 I128 | R120-K124 VanDerWaalsContact CZ-NZ 3.31Å; R120-K124 VanDerWaalsContact NH1-NZ 3.11Å; R120-K124 WeakPolarHBondContact O-CG 3.41Å; R120-K124 PolarHBondContact O-N 2.91Å; D121-K124 WeakPolarHBondContact O-CB 3.3Å; D121-K124 PolarHBondContact O-N 2.97Å; R122-K124 PolarHBondContact O-N 2.93Å; K124-D126 VanDerWaalsContact C-N 3.34Å; K124-C127 PolarHBondContact O-N 2.81Å; K124-I128 WeakPolarHBondContact O-CB 3.34Å; K124-I128 WeakPolarHBondContact O-CD1 3.5Å; K124-I128 WeakPolarHBondContact O-CG1 3.41Å; K124-I128 PolarHBondContact O-N 3.29Å |
| 125 | E | 97.8 | Very high | 96.1 | Very high | 126 Ų | 126 | 91.3 Ų | 91.3 | 59% | 0.589 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -61.6 | -42.2 | 176.8 | -70.4 | 175.7 | -175.4 | 0 | 0 | 111.8 | D121 R122 I128 S129 | D121-E125 WeakPolarHBondContact O-CG 3.43Å; D121-E125 PolarHBondContact O-N 3.24Å; R122-E125 WeakPolarHBondContact O-CA 3.49Å; R122-E125 WeakPolarHBondContact O-CB 3.42Å; R122-E125 PolarHBondContact O-N 2.96Å; E125-I128 PolarHBondContact O-N 3.47Å; E125-S129 WeakPolarHBondContact O-CB 3.31Å; E125-S129 PolarHBondContact O-N 3.03Å; E125-S129 PolarHBondContact O-OG 2.86Å |
| 126 | D | 97.6 | Very high | 95.6 | Very high | 108 Ų | 108 | 94.6 Ų | 94.6 | 58% | 0.578 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.6 | -46.8 | 174.9 | -71.6 | -20.8 | 0 | 0 | 0 | 111.5 | R122 C123 K124 I128 S129 A130 | R122-D126 PolarHBondContact O-N 3.12Å; C123-D126 PolarHBondContact O-N 2.88Å; K124-D126 VanDerWaalsContact C-N 3.34Å; D126-I128 PolarHBondContact O-N 3.4Å; D126-S129 PolarHBondContact O-N 3.01Å; D126-A130 WeakPolarHBondContact O-CB 3.48Å; D126-A130 PolarHBondContact O-N 3.42Å |
| 127 | C | 97 | Very high | 94.9 | Very high | 71 Ų | 71 | 93 Ų | 93 | 48% | 0.48 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -58.7 | -45.8 | 175.3 | -72.7 | 0 | 0 | 0 | 0 | 111.8 | C123 K124 S129 A130 V131 | C123-C127 WeakPolarHBondContact O-CB 3.27Å; C123-C127 PolarHBondContact O-N 3.37Å; C123-C127 PolarHBondContact O-SG 3.03Å; K124-C127 PolarHBondContact O-N 2.81Å; C127-S129 VanDerWaalsContact C-N 3.3Å; C127-S129 PolarHBondContact O-N 3.44Å; C127-A130 PolarHBondContact O-N 3.23Å; C127-V131 VanDerWaalsContact O-CG2 3.29Å; C127-V131 WeakPolarHBondContact O-CG2 3.35Å; C127-V131 PolarHBondContact O-N 2.91Å |
| 128 | I | 96.3 | Very high | 94 | Very high | 93 Ų | 93 | 93.3 Ų | 93.3 | 48% | 0.477 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 177.8 | -70.6 | 163.7 | 0 | 0 | 0 | 110.3 | K124 E125 D126 V131 K132 | K124-I128 WeakPolarHBondContact O-CB 3.34Å; K124-I128 WeakPolarHBondContact O-CD1 3.5Å; K124-I128 WeakPolarHBondContact O-CG1 3.41Å; K124-I128 PolarHBondContact O-N 3.29Å; E125-I128 PolarHBondContact O-N 3.47Å; D126-I128 PolarHBondContact O-N 3.4Å; I128-V131 PolarHBondContact O-N 3.44Å; I128-K132 HydrophobicContact CG2-CD 4.42Å; I128-K132 WeakPolarHBondContact O-CG 3.25Å; I128-K132 PolarHBondContact O-N 3.42Å |
| 129 | S | 95.8 | Very high | 92.8 | Very high | 60 Ų | 60 | 94 Ų | 94 | 42% | 0.42 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.8 | -43.6 | 178.3 | -59.5 | 0 | 0 | 0 | 0 | 111.8 | E125 D126 C127 K132 L133 | E125-S129 WeakPolarHBondContact O-CB 3.31Å; E125-S129 PolarHBondContact O-N 3.03Å; E125-S129 PolarHBondContact O-OG 2.86Å; D126-S129 PolarHBondContact O-N 3.01Å; C127-S129 VanDerWaalsContact C-N 3.3Å; C127-S129 PolarHBondContact O-N 3.44Å; S129-K132 PolarHBondContact O-N 2.98Å; S129-L133 WeakPolarHBondContact O-CG 3.25Å; S129-L133 PolarHBondContact O-N 3.19Å |
| 130 | A | 95 | Very high | 91.7 | Very high | 49 Ų | 49 | 95.9 Ų | 95.9 | 41% | 0.405 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.3 | -44.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D126 C127 K132 L133 L134 | D126-A130 WeakPolarHBondContact O-CB 3.48Å; D126-A130 PolarHBondContact O-N 3.42Å; C127-A130 PolarHBondContact O-N 3.23Å; A130-K132 VanDerWaalsContact C-N 3.34Å; A130-K132 PolarHBondContact O-N 3.46Å; A130-L133 PolarHBondContact O-N 3.45Å; A130-L134 VanDerWaalsContact O-CG 3.28Å; A130-L134 WeakPolarHBondContact O-CG 3.48Å; A130-L134 PolarHBondContact O-N 2.95Å |
| 131 | V | 94.4 | Very high | 90.2 | Very high | 75 Ų | 75 | 95.1 Ų | 95.1 | 46% | 0.455 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.4 | -42.6 | 175.9 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | C127 I128 L134 Q135 | C127-V131 VanDerWaalsContact O-CG2 3.29Å; C127-V131 WeakPolarHBondContact O-CG2 3.35Å; C127-V131 PolarHBondContact O-N 2.91Å; I128-V131 PolarHBondContact O-N 3.44Å; V131-L134 PolarHBondContact O-N 2.92Å; V131-Q135 HydrophobicContact CG1-CG 4.49Å; V131-Q135 VanDerWaalsContact O-CG 3.28Å; V131-Q135 WeakPolarHBondContact O-CG 3.41Å; V131-Q135 PolarHBondContact O-N 3.28Å |
| 132 | K | 93.7 | Very high | 88.6 | Confident | 118 Ų | 118 | 97.8 Ų | 97.8 | 51% | 0.513 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.3 | -47.3 | 176 | -74 | 175 | -178.5 | 176.6 | 0 | 112.1 | I128 S129 A130 L134 Q135 E136 | I128-K132 HydrophobicContact CG2-CD 4.42Å; I128-K132 WeakPolarHBondContact O-CG 3.25Å; I128-K132 PolarHBondContact O-N 3.42Å; S129-K132 PolarHBondContact O-N 2.98Å; A130-K132 VanDerWaalsContact C-N 3.34Å; A130-K132 PolarHBondContact O-N 3.46Å; K132-L134 VanDerWaalsContact C-N 3.32Å; K132-L134 PolarHBondContact O-N 2.88Å; K132-Q135 WeakPolarHBondContact O-CB 3.46Å; K132-Q135 PolarHBondContact O-N 3.42Å; K132-Q135 VanDerWaalsContact O-N 3.11Å; K132-E136 WeakPolarHBondContact O-CG 3.39Å; K132-E136 PolarHBondContact O-N 3.22Å |
| 133 | L | 91.8 | Very high | 86.8 | Confident | 92 Ų | 92 | 97.8 Ų | 97.8 | 48% | 0.482 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60 | -42.4 | 178 | -72 | 172.6 | 0 | 0 | 0 | 112.2 | S129 A130 Q135 E136 N137 | S129-L133 WeakPolarHBondContact O-CG 3.25Å; S129-L133 PolarHBondContact O-N 3.19Å; A130-L133 PolarHBondContact O-N 3.45Å; L133-Q135 VanDerWaalsContact C-N 3.3Å; L133-Q135 PolarHBondContact O-N 2.98Å; L133-E136 PolarHBondContact O-N 2.93Å; L133-N137 PolarHBondContact O-N 3.48Å; L133-N137 VanDerWaalsContact O-N 3.16Å |
| 134 | L | 89.5 | Confident | 84.9 | Confident | 88 Ų | 88 | 103.2 Ų | 103.2 | 46% | 0.461 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.3 | -37.1 | 175.5 | -71.4 | 171.4 | 0 | 0 | 0 | 112.1 | A130 V131 K132 F141 | A130-L134 VanDerWaalsContact O-CG 3.28Å; A130-L134 WeakPolarHBondContact O-CG 3.48Å; A130-L134 PolarHBondContact O-N 2.95Å; V131-L134 PolarHBondContact O-N 2.92Å; K132-L134 VanDerWaalsContact C-N 3.32Å; K132-L134 PolarHBondContact O-N 2.88Å; L134-F141 HydrophobicContact CD2-CB 3.74Å; L134-F141 HydrophobicContact CD2-CD1 4.15Å; L134-F141 HydrophobicContact CD2-CD2 3.68Å; L134-F141 HydrophobicContact CD2-CE2 4.29Å; L134-F141 HydrophobicContact CD2-CG 3.58Å |
| 135 | Q | 89.4 | Confident | 83 | Confident | 144 Ų | 144 | 104.3 Ų | 104.3 | 67% | 0.673 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -73 | -37.3 | 177.6 | -73.5 | 174.7 | -3.7 | 0 | 0 | 112.9 | V131 K132 L133 | V131-Q135 HydrophobicContact CG1-CG 4.49Å; V131-Q135 VanDerWaalsContact O-CG 3.28Å; V131-Q135 WeakPolarHBondContact O-CG 3.41Å; V131-Q135 PolarHBondContact O-N 3.28Å; K132-Q135 WeakPolarHBondContact O-CB 3.46Å; K132-Q135 PolarHBondContact O-N 3.42Å; K132-Q135 VanDerWaalsContact O-N 3.11Å; L133-Q135 VanDerWaalsContact C-N 3.3Å; L133-Q135 PolarHBondContact O-N 2.98Å |
| 136 | E | 88 | Confident | 81.2 | Confident | 137 Ų | 137 | 102.8 Ų | 102.8 | 64% | 0.64 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -71.6 | -32.9 | -179.9 | -72.4 | -179.9 | 170.6 | 0 | 0 | 112.8 | K132 L133 | K132-E136 WeakPolarHBondContact O-CG 3.39Å; K132-E136 PolarHBondContact O-N 3.22Å; L133-E136 PolarHBondContact O-N 2.93Å |
| 137 | N | 82.5 | Confident | 79.1 | Confident | 70 Ų | 70 | 103.9 Ų | 103.9 | 37% | 0.374 | 57% | 0.565 | S | S | . | * | trans | -132.8 | 62.4 | -175.5 | -61 | -77 | 0 | 0 | 0 | 113.1 | L133 N139 Q140 F141 | L133-N137 PolarHBondContact O-N 3.48Å; L133-N137 VanDerWaalsContact O-N 3.16Å; N137-N139 VanDerWaalsContact C-N 3.31Å; N137-N139 PolarHBondContact O-N 3.35Å; N137-Q140 HydrophobicContact CB-CB 4.11Å; N137-Q140 PolarHBondContact O-N 2.86Å; N137-Q140 VanDerWaalsContact O-N 3.13Å; N137-F141 HydrophobicContact CB-CE2 4.24Å; N137-F141 VanDerWaalsContact O-CD2 3.31Å; N137-F141 WeakPolarHBondContact O-CD2 3.38Å | ||
| 138 | P | 79.2 | Confident | 77.1 | Confident | 62 Ų | 62 | 106.9 Ų | 106.9 | 40% | 0.403 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -59.1 | -40.9 | -172 | 22.9 | -33.6 | 0 | 0 | 0 | 112.7 | Q140 F141 I142 | P138-Q140 PolarHBondContact O-N 3.47Å; P138-F141 PolarHBondContact O-N 3.46Å; P138-I142 HydrophobicContact CB-CD1 4.31Å; P138-I142 WeakPolarHBondContact O-CD1 3.35Å; P138-I142 WeakPolarHBondContact O-CG1 3.46Å; P138-I142 PolarHBondContact O-N 2.86Å |
| 139 | N | 74.1 | Confident | 75.1 | Confident | 129 Ų | 129 | 111.2 Ų | 111.2 | 69% | 0.69 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67 | -26.9 | -176.2 | -60.1 | -26.3 | 0 | 0 | 0 | 112.9 | N137 S143 | N137-N139 VanDerWaalsContact C-N 3.31Å; N137-N139 PolarHBondContact O-N 3.35Å; N139-S143 PolarHBondContact O-OG 2.91Å |
| 140 | Q | 73.8 | Confident | 73 | Confident | 138 Ų | 138 | 113.2 Ų | 113.2 | 65% | 0.645 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -75.6 | -28.4 | -174.7 | -158.4 | 159 | 29.8 | 0 | 0 | 112.3 | N137 P138 | N137-Q140 HydrophobicContact CB-CB 4.11Å; N137-Q140 PolarHBondContact O-N 2.86Å; N137-Q140 VanDerWaalsContact O-N 3.13Å; P138-Q140 PolarHBondContact O-N 3.47Å |
| 141 | F | 67.3 | Low | 71.3 | Confident | 105 Ų | 105 | 115.9 Ų | 115.9 | 46% | 0.461 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -97.4 | -15.8 | 179.6 | -60.4 | -75.9 | 0 | 0 | 0 | 113.6 | L134 N137 P138 | L134-F141 HydrophobicContact CD2-CB 3.74Å; L134-F141 HydrophobicContact CD2-CD1 4.15Å; L134-F141 HydrophobicContact CD2-CD2 3.68Å; L134-F141 HydrophobicContact CD2-CE2 4.29Å; L134-F141 HydrophobicContact CD2-CG 3.58Å; N137-F141 HydrophobicContact CB-CE2 4.24Å; N137-F141 VanDerWaalsContact O-CD2 3.31Å; N137-F141 WeakPolarHBondContact O-CD2 3.38Å; P138-F141 PolarHBondContact O-N 3.46Å |
| 142 | I | 64.3 | Low | 69.5 | Low | 117 Ų | 117 | 117.2 Ų | 117.2 | 60% | 0.6 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -79.4 | -26.8 | 178.3 | -66.6 | 164.7 | 0 | 0 | 0 | 111.7 | P138 E144 | P138-I142 HydrophobicContact CB-CD1 4.31Å; P138-I142 WeakPolarHBondContact O-CD1 3.35Å; P138-I142 WeakPolarHBondContact O-CG1 3.46Å; P138-I142 PolarHBondContact O-N 2.86Å; I142-E144 VanDerWaalsContact C-N 3.32Å; I142-E144 PolarHBondContact O-N 3.36Å |
| 143 | S | 59.4 | Low | 67.7 | Low | 106 Ų | 106 | 116.8 Ų | 116.8 | 74% | 0.741 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -13.9 | -174.7 | -64.6 | 0 | 0 | 0 | 0 | 115.6 | N139 | N139-S143 PolarHBondContact O-OG 2.91Š|
| 144 | E | 57.7 | Low | 65.9 | Low | 178 Ų | 178 | 119.4 Ų | 119.4 | 83% | 0.832 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | 3.3 | 179.9 | -80.8 | -173.7 | 168.5 | 0 | 0 | 114.3 | I142 P146 | I142-E144 VanDerWaalsContact C-N 3.32Å; I142-E144 PolarHBondContact O-N 3.36Å; E144-P146 WeakPolarHBondContact O-CD 3.36Å |
| 145 | L | 59.1 | Low | 64.1 | Low | 124 Ų | 124 | 123.5 Ų | 123.5 | 65% | 0.649 | 67% | 0.668 | S | S | * | * | trans | -74.9 | 115.3 | -179.1 | -153.1 | 75.4 | 0 | 0 | 0 | 110.5 | I148 | L145-I148 HydrophobicContact CD2-CD1 4.09Š| ||
| 146 | P | 59.5 | Low | 62.3 | Low | 95 Ų | 95 | 123.8 Ų | 123.8 | 62% | 0.617 | 67% | 0.673 | S | S | * | * | trans | -63.6 | 151.2 | 173.7 | 25.4 | -31.2 | 0 | 0 | 0 | 110.2 | E144 I148 | E144-P146 WeakPolarHBondContact O-CD 3.36Å; P146-I148 PolarHBondContact O-N 3.47Å | ||
| 147 | P | 54.2 | Low | 60.5 | Low | 130 Ų | 130 | 125.1 Ų | 125.1 | 84% | 0.844 | 68% | 0.679 | S | S | * | * | trans | -55.9 | 117.2 | 178.7 | -18.9 | 29.6 | 0 | 0 | 0 | 109.8 | E149 | P147-E149 PolarHBondContact O-N 2.99Š| ||
| 148 | I | 55 | Low | 59 | Low | 134 Ų | 134 | 127.9 Ų | 127.9 | 69% | 0.687 | 69% | 0.692 | S | S | * | * | trans | -66.6 | 101.2 | 174.9 | -67.1 | 167.4 | 0 | 0 | 0 | 107.3 | L145 P146 S150 | L145-I148 HydrophobicContact CD2-CD1 4.09Å; P146-I148 PolarHBondContact O-N 3.47Å; I148-S150 PolarHBondContact O-N 3.21Å | ||
| 149 | E | 53.6 | Low | 57.5 | Low | 184 Ų | 184 | 132.2 Ų | 132.2 | 86% | 0.86 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 120.1 | 161.4 | -159 | 170.1 | -164.7 | 0 | 0 | 107.2 | P147 | P147-E149 PolarHBondContact O-N 2.99Š|
| 150 | S | 51.5 | Low | 56.1 | Low | 103 Ų | 103 | 131.3 Ų | 131.3 | 72% | 0.72 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -51 | 123.6 | -172.7 | 53.7 | 0 | 0 | 0 | 0 | 113.4 | I148 | I148-S150 PolarHBondContact O-N 3.21Š|
| 151 | P | 59.9 | Low | 54.7 | Low | 105 Ų | 105 | 131.6 Ų | 131.6 | 68% | 0.682 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 143.3 | 164.3 | 30.4 | -29.8 | 0 | 0 | 0 | 110.4 | ||
| 152 | P | 55.5 | Low | 53.9 | Low | 103 Ų | 103 | 134.3 Ų | 134.3 | 67% | 0.669 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 151.7 | -174.1 | 26.5 | -33.9 | 0 | 0 | 0 | 112.9 | D154 | P152-D154 VanDerWaalsContact C-N 3.26Å; P152-D154 PolarHBondContact O-N 3.39Å |
| 153 | P | 55.9 | Low | 52.8 | Low | 109 Ų | 109 | 133.5 Ų | 133.5 | 71% | 0.708 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -82 | 57.1 | -169.7 | 37.1 | -37.3 | 0 | 0 | 0 | 112.3 | ||
| 154 | D | 54.7 | Low | 51.9 | Low | 146 Ų | 146 | 135.8 Ų | 135.8 | 78% | 0.781 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -131 | 10 | -177.3 | -76.2 | -31.7 | 0 | 0 | 0 | 115.1 | P152 | P152-D154 VanDerWaalsContact C-N 3.26Å; P152-D154 PolarHBondContact O-N 3.39Å |
| 155 | K | 51.4 | Low | 51.1 | Low | 174 Ų | 174 | 131.2 Ų | 131.2 | 76% | 0.757 | 74% | 0.744 | S | S | * | * | trans | -132.6 | 26.7 | -177.3 | -73.7 | -174.3 | 179.2 | 178.7 | 0 | 116.2 | H157 | K155-H157 PolarHBondContact O-N 2.85Š| ||
| 156 | I | 53 | Low | 50 | Low | 151 Ų | 151 | 132.4 Ų | 132.4 | 77% | 0.774 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | 1.4 | -177.7 | -61.7 | 176.9 | 0 | 0 | 0 | 113.5 | ||
| 157 | H | 49 | Very low | 49.1 | Very low | 164 Ų | 164 | 134.5 Ų | 134.5 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | 4.3 | -174.4 | -82.8 | -69.4 | 0 | 0 | 0 | 117.7 | K155 | K155-H157 PolarHBondContact O-N 2.85Š|
| 158 | I | 51.9 | Low | 48.5 | Very low | 129 Ų | 129 | 132.5 Ų | 132.5 | 66% | 0.662 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -97.1 | -12.8 | -168 | -52.6 | -178.1 | 0 | 0 | 0 | 114.1 | ||
| 159 | L | 47.5 | Very low | 48 | Very low | 153 Ų | 153 | 135 Ų | 135 | 80% | 0.801 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -97.6 | 3.8 | -173.5 | -75.6 | 164.8 | 0 | 0 | 0 | 116.1 | ||
| 160 | T | 44.6 | Very low | 47.1 | Very low | 109 Ų | 109 | 129.5 Ų | 129.5 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -93.4 | 2.9 | -177.9 | 30 | 0 | 0 | 0 | 0 | 115.9 | ||
| 161 | N | 43.4 | Very low | 46.6 | Very low | 145 Ų | 145 | 128.6 Ų | 128.6 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | trans | -104 | 15.1 | -172.2 | -72.9 | -15.4 | 0 | 0 | 0 | 115.9 | ||||
| 162 | L | 50.7 | Low | 45.7 | Very low | 161 Ų | 161 | 131.5 Ų | 131.5 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -92.4 | 8.6 | -177.4 | -70 | 161.7 | 0 | 0 | 0 | 114.6 | ||
| 163 | S | 41.8 | Very low | 45.1 | Very low | 100 Ų | 100 | 134.4 Ų | 134.4 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -107.5 | 4 | -166.2 | -167.6 | 0 | 0 | 0 | 0 | 117 | ||
| 164 | N | 39.3 | Very low | 44.6 | Very low | 154 Ų | 154 | 133.7 Ų | 133.7 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | trans | -130.8 | 71.1 | -172.1 | -65.6 | 35.4 | 0 | 0 | 0 | 111.9 | ||||
| 165 | G | 40.9 | Very low | 44.1 | Very low | 82 Ų | 82 | 132.6 Ų | 132.6 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | trans | -95.5 | 85.2 | 167 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 166 | D | 36.5 | Very low | 43.6 | Very low | 150 Ų | 150 | 133.5 Ų | 133.5 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | trans | -110.6 | 96.9 | 176.2 | -147.4 | -2.3 | 0 | 0 | 0 | 108.3 | ||||
| 167 | C | 41.7 | Very low | 42.9 | Very low | 139 Ų | 139 | 131.8 Ų | 131.8 | 94% | 0.939 | 77% | 0.773 | S | S | * | * | trans | -116.4 | 67.9 | 175.9 | -70.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 168 | S | 41.6 | Very low | 42.5 | Very low | 88 Ų | 88 | 129.3 Ų | 129.3 | 62% | 0.615 | 77% | 0.774 | S | S | * | * | trans | -111.7 | 109.1 | 164.7 | 170.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 169 | H | 44 | Very low | 42.1 | Very low | 187 Ų | 187 | 128 Ų | 128 | 87% | 0.866 | 78% | 0.777 | S | S | * | * | trans | -171.1 | 98 | 140.1 | -97.2 | -56.1 | 0 | 0 | 0 | 109.7 | ||||
| 170 | G | 34.3 | Very low | 41.9 | Very low | 67 Ų | 67 | 124.5 Ų | 124.5 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | trans | -69.3 | 121.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | H172 | G170-H172 PolarHBondContact O-N 3.36Å; G170-H172 PolarHBondContact O-ND1 2.91Å | ||
| 171 | A | 40.5 | Very low | 41.9 | Very low | 84 Ų | 84 | 123.5 Ų | 123.5 | 69% | 0.694 | 77% | 0.767 | S | S | * | * | trans | -94.8 | 86.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109 | N173 | A171-N173 PolarHBondContact O-N 3.18Š| ||
| 172 | H | 41.1 | Very low | 42.2 | Very low | 167 Ų | 167 | 123.4 Ų | 123.4 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | trans | -17.7 | 108.4 | 146.1 | 48.1 | -80.9 | 0 | 0 | 0 | 114.7 | G170 | G170-H172 PolarHBondContact O-N 3.36Å; G170-H172 PolarHBondContact O-ND1 2.91Å | ||
| 173 | N | 43.1 | Very low | 42.1 | Very low | 164 Ų | 164 | 124 Ų | 124 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 117.9 | 155 | -77.6 | -32.2 | 0 | 0 | 0 | 108 | A171 | A171-N173 PolarHBondContact O-N 3.18Š|
| 174 | S | 44.8 | Very low | 42.3 | Very low | 93 Ų | 93 | 124 Ų | 124 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -63 | 140.4 | 178.2 | 47.1 | 0 | 0 | 0 | 0 | 111.7 | F176 | S174-F176 PolarHBondContact O-N 2.76Š|
| 175 | P | 45.1 | Very low | 43.1 | Very low | 123 Ų | 123 | 122 Ų | 122 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 116.2 | 166.4 | 28.3 | -27.4 | 0 | 0 | 0 | 108.5 | S177 | P175-S177 PolarHBondContact O-N 3.11Š|
| 176 | F | 40.1 | Very low | 43.6 | Very low | 194 Ų | 194 | 125.9 Ų | 125.9 | 85% | 0.851 | 75% | 0.749 | S | S | * | * | trans | -55 | 112.2 | 165.3 | -96.7 | -93 | 0 | 0 | 0 | 109 | S174 S178 | S174-F176 PolarHBondContact O-N 2.76Å; F176-S178 PolarHBondContact O-N 3.42Å; F176-S178 VanDerWaalsContact O-N 3.15Å | ||
| 177 | S | 38 | Very low | 44.5 | Very low | 115 Ų | 115 | 123.3 Ų | 123.3 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | trans | -75.8 | 92.7 | 171.1 | -169.2 | 0 | 0 | 0 | 0 | 108.4 | P175 S179 | P175-S177 PolarHBondContact O-N 3.11Å; S177-S179 PolarHBondContact O-N 2.94Å; S177-S179 VanDerWaalsContact O-N 3.15Å | ||
| 178 | S | 41.1 | Very low | 45.5 | Very low | 111 Ų | 111 | 122.5 Ų | 122.5 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | trans | -75.5 | 94.4 | 168.6 | -66.8 | 0 | 0 | 0 | 0 | 109 | F176 A180 | F176-S178 PolarHBondContact O-N 3.42Å; F176-S178 VanDerWaalsContact O-N 3.15Å; S178-A180 PolarHBondContact O-N 2.93Å; S178-A180 VanDerWaalsContact O-N 3.09Å | ||
| 179 | S | 44.1 | Very low | 46.5 | Very low | 103 Ų | 103 | 121.4 Ų | 121.4 | 72% | 0.72 | 72% | 0.717 | S | S | * | * | trans | -68.2 | 103.2 | 162.3 | 53.3 | 0 | 0 | 0 | 0 | 108.5 | S177 S181 | S177-S179 PolarHBondContact O-N 2.94Å; S177-S179 VanDerWaalsContact O-N 3.15Å; S179-S181 PolarHBondContact O-N 3.13Å | ||
| 180 | A | 42.3 | Very low | 46.9 | Very low | 79 Ų | 79 | 122.2 Ų | 122.2 | 65% | 0.653 | 72% | 0.718 | S | S | * | * | trans | -66.3 | 94.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | S178 I182 | S178-A180 PolarHBondContact O-N 2.93Å; S178-A180 VanDerWaalsContact O-N 3.09Å; A180-I182 PolarHBondContact O-N 3.28Å | ||
| 181 | S | 45.9 | Very low | 48.3 | Very low | 88 Ų | 88 | 123.6 Ų | 123.6 | 62% | 0.615 | 72% | 0.715 | S | S | * | * | trans | -76.9 | 101.5 | 163.5 | -67.6 | 0 | 0 | 0 | 0 | 108 | S179 F183 | S179-S181 PolarHBondContact O-N 3.13Å; S181-F183 PolarHBondContact O-N 3.4Å | ||
| 182 | I | 48.6 | Very low | 49.3 | Very low | 143 Ų | 143 | 123.8 Ų | 123.8 | 73% | 0.733 | 71% | 0.709 | S | S | * | * | trans | -68.1 | 97.4 | 177.4 | -53.3 | 166.1 | 0 | 0 | 0 | 107.7 | A180 S184 | A180-I182 PolarHBondContact O-N 3.28Å; I182-S184 PolarHBondContact O-N 3.41Å | ||
| 183 | F | 48.4 | Very low | 50.3 | Low | 173 Ų | 173 | 120.3 Ų | 120.3 | 76% | 0.759 | 70% | 0.7 | S | S | * | * | trans | -86.6 | 103.7 | 167.9 | -78 | -79.5 | 0 | 0 | 0 | 109.1 | S181 T185 | S181-F183 PolarHBondContact O-N 3.4Å; F183-T185 PolarHBondContact O-N 3.48Å; F183-T185 VanDerWaalsContact O-N 3.14Å | ||
| 184 | S | 47.6 | Very low | 51.1 | Low | 99 Ų | 99 | 114.8 Ų | 114.8 | 69% | 0.692 | 68% | 0.681 | S | S | * | * | trans | -71.1 | 95.3 | 168.3 | 169 | 0 | 0 | 0 | 0 | 109.3 | I182 | I182-S184 PolarHBondContact O-N 3.41Š| ||
| 185 | T | 55.6 | Low | 51.8 | Low | 113 Ų | 113 | 116.3 Ų | 116.3 | 69% | 0.693 | 68% | 0.682 | S | S | * | * | trans | -106.5 | 114.6 | 169 | 48.6 | 0 | 0 | 0 | 0 | 109.9 | F183 L187 | F183-T185 PolarHBondContact O-N 3.48Å; F183-T185 VanDerWaalsContact O-N 3.14Å; T185-L187 PolarHBondContact O-N 3.02Å | ||
| 186 | F | 51.1 | Low | 52.1 | Low | 163 Ų | 163 | 120.5 Ų | 120.5 | 72% | 0.715 | 69% | 0.688 | S | S | * | * | trans | -65.7 | 117.9 | 162.1 | -75.3 | -83.6 | 0 | 0 | 0 | 107.9 | ||||
| 187 | L | 55.6 | Low | 52.4 | Low | 96 Ų | 96 | 116.6 Ų | 116.6 | 50% | 0.503 | 68% | 0.68 | S | S | . | * | trans | -67.6 | 134.4 | 170.1 | -78.1 | 150 | 0 | 0 | 0 | 108.7 | T185 T189 L195 | T185-L187 PolarHBondContact O-N 3.02Å; L187-T189 HydrophobicContact CB-CG2 4.28Å; L187-T189 PolarHBondContact O-N 2.98Å; L187-L195 HydrophobicContact CD1-CD1 4Å | ||
| 188 | P | 61.9 | Low | 52.6 | Low | 123 Ų | 123 | 114.2 Ų | 114.2 | 80% | 0.799 | 67% | 0.673 | S | S | * | * | trans | -76.8 | 65.7 | 174.3 | 33.5 | -34.2 | 0 | 0 | 0 | 109.7 | ||||
| 189 | T | 64.1 | Low | 52.9 | Low | 64 Ų | 64 | 116.6 Ų | 116.6 | 39% | 0.393 | 68% | 0.676 | S | S | . | * | trans | -103 | 150.2 | 166.4 | 62.1 | 0 | 0 | 0 | 0 | 109.1 | L187 P191 P192 | L187-T189 HydrophobicContact CB-CG2 4.28Å; L187-T189 PolarHBondContact O-N 2.98Å; T189-P191 CarbonylContact O-C 3.33Å; T189-P191 PolarHBondContact OG1-O 3.41Å; T189-P192 WeakPolarHBondContact O-CA 3.47Å | ||
| 190 | F | 51.4 | Low | 52.5 | Low | 204 Ų | 204 | 120 Ų | 120 | 90% | 0.895 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -119.9 | 118.1 | 173.1 | -146.2 | -93 | 0 | 0 | 0 | 108.4 | ||
| 191 | P | 64.8 | Low | 52.2 | Low | 97 Ų | 97 | 125.4 Ų | 125.4 | 63% | 0.63 | 69% | 0.694 | S | S | * | * | S | Bend | cis | -73.9 | 148.8 | 0.8 | 31.8 | -32.8 | 0 | 0 | 0 | 112.1 | T189 V193 | T189-P191 CarbonylContact O-C 3.33Å; T189-P191 PolarHBondContact OG1-O 3.41Å; P191-V193 PolarHBondContact O-N 2.83Å |
| 192 | P | 60.6 | Low | 52 | Low | 87 Ų | 87 | 128.8 Ų | 128.8 | 57% | 0.565 | 70% | 0.7 | S | S | * | * | trans | -58.9 | 119 | 177.2 | -22.5 | 32.5 | 0 | 0 | 0 | 111.1 | T189 | T189-P192 WeakPolarHBondContact O-CA 3.47Š| ||
| 193 | V | 62.3 | Low | 51.5 | Low | 94 Ų | 94 | 128.9 Ų | 128.9 | 57% | 0.57 | 70% | 0.702 | S | S | * | * | trans | -96.6 | 109.9 | 170.3 | -177 | 0 | 0 | 0 | 0 | 107.8 | P191 L195 | P191-V193 PolarHBondContact O-N 2.83Å; V193-L195 PolarHBondContact O-N 3.44Å | ||
| 194 | G | 60.3 | Low | 50.8 | Low | 48 Ų | 48 | 127.3 Ų | 127.3 | 50% | 0.495 | 70% | 0.702 | S | S | . | * | trans | -71.9 | 122 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 195 | L | 58.2 | Low | 50.3 | Low | 126 Ų | 126 | 130.7 Ų | 130.7 | 66% | 0.66 | 71% | 0.711 | S | S | * | * | trans | -92.3 | 106.2 | 169.9 | -67 | 172.4 | 0 | 0 | 0 | 108.4 | L187 V193 T197 | L187-L195 HydrophobicContact CD1-CD1 4Å; V193-L195 PolarHBondContact O-N 3.44Å; L195-T197 PolarHBondContact O-N 3.06Å | ||
| 196 | F | 52.8 | Low | 49.4 | Very low | 211 Ų | 211 | 133.8 Ų | 133.8 | 93% | 0.925 | 72% | 0.718 | S | S | * | * | trans | -84.3 | 99.9 | 166.1 | -92.6 | -85.9 | 0 | 0 | 0 | 108.7 | G198 | F196-G198 PolarHBondContact O-N 2.88Š| ||
| 197 | T | 46.4 | Very low | 48.6 | Very low | 112 Ų | 112 | 131.1 Ų | 131.1 | 69% | 0.687 | 72% | 0.715 | S | S | * | * | trans | -92 | 81.6 | 168.1 | -29.5 | 0 | 0 | 0 | 0 | 108.1 | L195 | L195-T197 PolarHBondContact O-N 3.06Š| ||
| 198 | G | 40.8 | Very low | 47.6 | Very low | 64 Ų | 64 | 132.4 Ų | 132.4 | 66% | 0.66 | 73% | 0.732 | S | S | * | * | trans | -108 | 99.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | F196 Q200 | F196-G198 PolarHBondContact O-N 2.88Å; G198-Q200 PolarHBondContact O-N 3.07Å | ||
| 199 | I | 47.6 | Very low | 46.3 | Very low | 161 Ų | 161 | 135 Ų | 135 | 83% | 0.826 | 73% | 0.733 | S | S | * | * | trans | -75.8 | 102.7 | 174.1 | -42.6 | 164.4 | 0 | 0 | 0 | 106.7 | ||||
| 200 | Q | 35.5 | Very low | 45.1 | Very low | 174 Ų | 174 | 141.5 Ų | 141.5 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | trans | 168.6 | 89.9 | 143 | -166.3 | 175.1 | 66.4 | 0 | 0 | 108.3 | G198 | G198-Q200 PolarHBondContact O-N 3.07Š| ||
| 201 | M | 37.3 | Very low | 44.1 | Very low | 194 Ų | 194 | 136.9 Ų | 136.9 | 96% | 0.956 | 75% | 0.749 | S | S | * | * | trans | -111.7 | 80.9 | 166.3 | -76.4 | -93 | -98.8 | 0 | 0 | 107.2 | ||||
| 202 | E | 41.2 | Very low | 42.8 | Very low | 159 Ų | 159 | 138 Ų | 138 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | trans | -109.9 | 129.2 | 156.5 | -79.2 | -173.7 | 163 | 0 | 0 | 107.6 | ||||
| 203 | N | 38.6 | Very low | 41.7 | Very low | 145 Ų | 145 | 138.4 Ų | 138.4 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 95.9 | 112.8 | 166.1 | -51.5 | -38.5 | 0 | 0 | 0 | 118.4 | ||
| 204 | N | 32.9 | Very low | 40.6 | Very low | 139 Ų | 139 | 140.7 Ų | 140.7 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | trans | 91.1 | 75.2 | 157.8 | -59.3 | -24.6 | 0 | 0 | 0 | 118.3 | Q206 | N204-Q206 PolarHBondContact O-N 3.19Å; N204-Q206 VanDerWaalsContact O-N 3.14Å | ||
| 205 | L | 38.4 | Very low | 39.5 | Very low | 170 Ų | 170 | 145.3 Ų | 145.3 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | trans | -59.7 | 100.6 | 134.1 | -86.8 | 91 | 0 | 0 | 0 | 108.6 | ||||
| 206 | Q | 35.7 | Very low | 38.6 | Very low | 179 Ų | 179 | 144.1 Ų | 144.1 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | trans | -91.7 | 99.3 | 152.6 | -90.7 | -171.8 | 33.1 | 0 | 0 | 108.7 | N204 S208 | N204-Q206 PolarHBondContact O-N 3.19Å; N204-Q206 VanDerWaalsContact O-N 3.14Å; Q206-S208 PolarHBondContact O-N 3.14Å | ||
| 207 | V | 33.6 | Very low | 37.9 | Very low | 107 Ų | 107 | 143.8 Ų | 143.8 | 65% | 0.648 | 78% | 0.778 | S | S | * | * | trans | -50.3 | 121.4 | 153.9 | 169.1 | 0 | 0 | 0 | 0 | 108.8 | Q209 | V207-Q209 HydrophobicContact CG1-CG 3.94Š| ||
| 208 | S | 34.9 | Very low | 37.4 | Very low | 123 Ų | 123 | 145.6 Ų | 145.6 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | -125 | 89.9 | 155.1 | -142.1 | 0 | 0 | 0 | 0 | 108.1 | Q206 | Q206-S208 PolarHBondContact O-N 3.14Š| ||
| 209 | Q | 35.5 | Very low | 37.4 | Very low | 176 Ų | 176 | 154 Ų | 154 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | -63.9 | 124.9 | 162.9 | -76.2 | 175.2 | -38.5 | 0 | 0 | 108.4 | V207 | V207-Q209 HydrophobicContact CG1-CG 3.94Š| ||
| 210 | K | 37.2 | Very low | 36.7 | Very low | 202 Ų | 202 | 152.8 Ų | 152.8 | 88% | 0.878 | 79% | 0.791 | S | S | * | * | trans | -127 | 109.8 | 148.9 | -151.5 | 164.5 | -173.3 | 173.6 | 0 | 108.8 | ||||
| 211 | S | 32 | Very low | 37.1 | Very low | 107 Ų | 107 | 152.2 Ų | 152.2 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -53.5 | 137.9 | 175 | 38.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 212 | S | 36.2 | Very low | 37.2 | Very low | 119 Ų | 119 | 150 Ų | 150 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | -168.7 | 102.9 | 128.5 | -101.5 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 213 | S | 38.5 | Very low | 36.8 | Very low | 96 Ų | 96 | 147.6 Ų | 147.6 | 67% | 0.671 | 79% | 0.785 | S | S | * | * | trans | -24.1 | 130.5 | 152.3 | 49.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 214 | N | 38 | Very low | 36.8 | Very low | 142 Ų | 142 | 148.4 Ų | 148.4 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | 176.2 | 117.6 | 110.5 | -82.8 | -23.4 | 0 | 0 | 0 | 110 | |||||
| 215 | N | 38.8 | Very low | 37.1 | Very low | 145 Ų | 145 | 148.6 Ų | 148.6 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | trans | 1.4 | 147.9 | 147.3 | -48.9 | -25.3 | 0 | 0 | 0 | 118 | ||||
| 216 | T | 38.5 | Very low | 37.1 | Very low | 101 Ų | 101 | 150 Ų | 150 | 62% | 0.62 | 79% | 0.788 | S | S | * | * | 126.1 | 114.5 | 124 | -61.7 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 217 | Y | 38.2 | Very low | 37.3 | Very low | 204 Ų | 204 | 147.3 Ų | 147.3 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | trans | 67.9 | 118.3 | 155.4 | -53.1 | -44.6 | 0 | 0 | 0 | 121.5 | ||||
| 218 | D | 34.8 | Very low | 37.7 | Very low | 151 Ų | 151 | 146.9 Ų | 146.9 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | trans | 42.5 | 107.7 | 134.8 | -63.6 | -41.3 | 0 | 0 | 0 | 119.3 | ||||
| 219 | R | 42.1 | Very low | 38.1 | Very low | 239 Ų | 239 | 147.2 Ų | 147.2 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | trans | -146.4 | 89.3 | 150.9 | -135.1 | -174.7 | -77.8 | 176.9 | -4 | 112.3 | I221 | R219-I221 PolarHBondContact O-N 3.26Š| ||
| 220 | N | 33.6 | Very low | 38.3 | Very low | 136 Ų | 136 | 144 Ų | 144 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | 3.6 | 108.1 | 135 | -158.5 | -1.2 | 0 | 0 | 0 | 115.7 | N222 | N220-N222 PolarHBondContact OD1-N 3.39Š| ||
| 221 | I | 43 | Very low | 38.6 | Very low | 163 Ų | 163 | 139.9 Ų | 139.9 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | trans | -127.7 | 74.2 | 154.7 | -58.2 | -168.1 | 0 | 0 | 0 | 107.7 | R219 | R219-I221 PolarHBondContact O-N 3.26Š| ||
| 222 | N | 38.9 | Very low | 39.1 | Very low | 147 Ų | 147 | 139.6 Ų | 139.6 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | trans | -117.2 | 89.1 | 153 | -88.1 | -19.2 | 0 | 0 | 0 | 107 | N220 | N220-N222 PolarHBondContact OD1-N 3.39Š| ||
| 223 | S | 32.8 | Very low | 39.3 | Very low | 109 Ų | 109 | 138.3 Ų | 138.3 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | trans | 176.5 | 89.1 | 149.9 | 65.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 224 | L | 39.1 | Very low | 39.5 | Very low | 161 Ų | 161 | 140.2 Ų | 140.2 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -172.4 | 93.5 | 158.9 | -130 | 67.4 | 0 | 0 | 0 | 103.4 | ||
| 225 | N | 38.3 | Very low | 39.5 | Very low | 143 Ų | 143 | 140.4 Ų | 140.4 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | -162.9 | 98.6 | 71.2 | -65.5 | -36.2 | 0 | 0 | 0 | 108.3 | |||||
| 226 | K | 38.2 | Very low | 39.6 | Very low | 199 Ų | 199 | 139 Ų | 139 | 87% | 0.865 | 77% | 0.766 | S | S | * | * | trans | -98.5 | 84.1 | 164 | -128.3 | -178.4 | -173.6 | 179.3 | 0 | 106.3 | T228 | K226-T228 PolarHBondContact O-N 3.23Š| ||
| 227 | T | 40.4 | Very low | 39.7 | Very low | 124 Ų | 124 | 140.4 Ų | 140.4 | 76% | 0.761 | 77% | 0.774 | S | S | * | * | trans | -81.9 | 81 | 165.9 | -52.7 | 0 | 0 | 0 | 0 | 107.3 | V229 | T227-V229 HydrophobicContact CG2-CG2 3.83Å; T227-V229 PolarHBondContact O-N 3.35Å | ||
| 228 | T | 41.5 | Very low | 40.2 | Very low | 98 Ų | 98 | 135.7 Ų | 135.7 | 60% | 0.601 | 77% | 0.771 | S | S | * | * | trans | -72.3 | 99.7 | 160.7 | -66.4 | 0 | 0 | 0 | 0 | 106.9 | K226 V230 | K226-T228 PolarHBondContact O-N 3.23Å; T228-V230 VanDerWaalsContact C-N 3.3Å; T228-V230 HydrophobicContact CG2-CB 4.24Å; T228-V230 HydrophobicContact CG2-CG2 3.51Å; T228-V230 PolarHBondContact O-N 3.2Å | ||
| 229 | V | 43.4 | Very low | 40.5 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 78% | 0.782 | 77% | 0.767 | S | S | * | * | trans | -82.8 | 86.5 | 162.8 | -173.8 | 0 | 0 | 0 | 0 | 107.1 | T227 | T227-V229 HydrophobicContact CG2-CG2 3.83Å; T227-V229 PolarHBondContact O-N 3.35Å | ||
| 230 | V | 41.2 | Very low | 40.6 | Very low | 108 Ų | 108 | 127.9 Ų | 127.9 | 66% | 0.655 | 76% | 0.764 | S | S | * | * | trans | -96 | 129.8 | 154 | 170.4 | 0 | 0 | 0 | 0 | 104.5 | T228 | T228-V230 VanDerWaalsContact C-N 3.3Å; T228-V230 HydrophobicContact CG2-CB 4.24Å; T228-V230 HydrophobicContact CG2-CG2 3.51Å; T228-V230 PolarHBondContact O-N 3.2Å | ||
| 231 | T | 42 | Very low | 41.1 | Very low | 116 Ų | 116 | 130.7 Ų | 130.7 | 71% | 0.712 | 77% | 0.77 | S | S | * | * | 168.1 | 124.9 | 117.9 | -53.6 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 232 | S | 44.3 | Very low | 41.4 | Very low | 101 Ų | 101 | 128.1 Ų | 128.1 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | 62.7 | 110 | 151.6 | 64.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 233 | A | 38.7 | Very low | 41.8 | Very low | 93 Ų | 93 | 126.8 Ų | 126.8 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | trans | -51 | 139 | 147.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 234 | V | 43.9 | Very low | 42.4 | Very low | 135 Ų | 135 | 124.8 Ų | 124.8 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -116.3 | 97.7 | 154.5 | -114.8 | 0 | 0 | 0 | 0 | 106.5 | C236 | V234-C236 PolarHBondContact O-N 3.25Š| ||
| 235 | N | 38.3 | Very low | 42.8 | Very low | 146 Ų | 146 | 124.8 Ų | 124.8 | 78% | 0.781 | 76% | 0.764 | S | S | * | * | trans | -71.1 | 107.9 | 159.6 | -93.3 | -6.5 | 0 | 0 | 0 | 107.2 | ||||
| 236 | C | 39.7 | Very low | 43.9 | Very low | 117 Ų | 117 | 126.1 Ų | 126.1 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | -110.1 | 85.3 | 160.6 | -72 | 0 | 0 | 0 | 0 | 108.1 | V234 | V234-C236 PolarHBondContact O-N 3.25Š| ||
| 237 | T | 41.9 | Very low | 44.5 | Very low | 129 Ų | 129 | 123.5 Ų | 123.5 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | trans | -78.7 | 112.5 | 160.8 | 51.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 238 | S | 49 | Very low | 45.4 | Very low | 106 Ų | 106 | 129.4 Ų | 129.4 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | trans | -136.2 | 86.5 | 156.9 | 60.6 | 0 | 0 | 0 | 0 | 109.1 | C240 | S238-C240 PolarHBondContact O-N 3.16Š| ||
| 239 | S | 40.9 | Very low | 45.6 | Very low | 103 Ų | 103 | 131 Ų | 131 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | trans | -65.8 | 114.4 | 158.3 | 154.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 240 | C | 44.3 | Very low | 45.7 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | trans | -122.3 | 91.2 | 158.9 | -65.6 | 0 | 0 | 0 | 0 | 108.7 | S238 | S238-C240 PolarHBondContact O-N 3.16Š| ||
| 241 | K | 43.8 | Very low | 46 | Very low | 195 Ų | 195 | 132.4 Ų | 132.4 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | trans | -72.2 | 128.6 | 154.1 | -70.1 | 175.8 | 174.3 | 178.2 | 0 | 108.1 | ||||
| 242 | S | 49.5 | Very low | 46.2 | Very low | 108 Ų | 108 | 133.4 Ų | 133.4 | 76% | 0.755 | 82% | 0.815 | S | S | * | * | trans | -165.4 | 99.1 | 155.6 | -166.8 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 243 | S | 45.8 | Very low | 46.3 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 84% | 0.839 | 82% | 0.821 | S | S | * | * | 73.3 | 126.8 | 82.6 | -68 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 244 | G | 46.2 | Very low | 46.9 | Very low | 66 Ų | 66 | 138.2 Ų | 138.2 | 68% | 0.68 | 83% | 0.825 | S | S | * | * | trans | 121.2 | 84.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 245 | I | 47 | Very low | 47.1 | Very low | 162 Ų | 162 | 138.4 Ų | 138.4 | 83% | 0.831 | 83% | 0.825 | S | S | * | * | 53.2 | 104.8 | 89.8 | -54.9 | 176.5 | 0 | 0 | 0 | 112.7 | |||||
| 246 | I | 61.5 | Low | 47.7 | Very low | 171 Ų | 171 | 137.8 Ų | 137.8 | 88% | 0.877 | 83% | 0.829 | S | S | * | * | trans | -139.4 | 129.4 | 148.4 | -59.8 | -179.9 | 0 | 0 | 0 | 107.9 | ||||
| 247 | D | 52.1 | Low | 48.4 | Very low | 143 Ų | 143 | 139.6 Ų | 139.6 | 77% | 0.765 | 83% | 0.832 | S | S | * | * | trans | -56.9 | 145.8 | -178.7 | -78.4 | -46.6 | 0 | 0 | 0 | 116 | ||||
| 248 | L | 59 | Low | 49 | Very low | 249 Ų | 249 | 140.5 Ų | 140.5 | 100% | 1.304 | 84% | 0.836 | S | S | * | * | trans | -142.3 | 0 | 134.4 | -112.7 | 122.4 | 0 | 0 | 0 | 109.1 |
Retrieved 248 of 248 residues in 86.9 ms
(Link to these results)