| 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 | 81.7 | Confident | 93.8 | Very high | 216 Ų | 216 | 121.4 Ų | 121.4 | 100% | 1.064 | 61% | 0.613 | S | S | * | * | 0 | -56.3 | 0 | -62.2 | -146.8 | -66.1 | 0 | 0 | 112.3 | E3 H4 A5 | M1-E3 VanDerWaalsContact C-N 3.35Å; M1-E3 PolarHBondContact O-N 3.09Å; M1-H4 WeakPolarHBondContact O-CB 3.3Å; M1-H4 PolarHBondContact O-N 3.09Å; M1-A5 PolarHBondContact O-N 2.94Å | |||
| 2 | L | 93.2 | Very high | 94.1 | Very high | 156 Ų | 156 | 115.3 Ų | 115.3 | 82% | 0.817 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -51.8 | -44.2 | -174.7 | -147.4 | 83.6 | 0 | 0 | 0 | 114.8 | H4 A5 L6 | L2-H4 VanDerWaalsContact C-N 3.3Å; L2-H4 PolarHBondContact O-N 3.22Å; L2-A5 PolarHBondContact O-N 3.47Å; L2-L6 WeakPolarHBondContact O-CB 3.25Å; L2-L6 PolarHBondContact O-N 3.07Å |
| 3 | E | 92.9 | Very high | 94.3 | Very high | 153 Ų | 153 | 116.1 Ų | 116.1 | 72% | 0.715 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.3 | -27.6 | 179.5 | -61.2 | 176.8 | 161.9 | 0 | 0 | 114.2 | M1 R7 | M1-E3 VanDerWaalsContact C-N 3.35Å; M1-E3 PolarHBondContact O-N 3.09Å; E3-R7 WeakPolarHBondContact O-CG 3.4Å; E3-R7 PolarHBondContact O-N 3.19Å |
| 4 | H | 93.7 | Very high | 94.4 | Very high | 110 Ų | 110 | 112.6 Ų | 112.6 | 51% | 0.509 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -72 | -52.2 | 174.8 | -167.4 | -10.1 | 0 | 0 | 0 | 109.2 | M1 L2 L6 R7 D8 | M1-H4 WeakPolarHBondContact O-CB 3.3Å; M1-H4 PolarHBondContact O-N 3.09Å; L2-H4 VanDerWaalsContact C-N 3.3Å; L2-H4 PolarHBondContact O-N 3.22Å; H4-L6 PolarHBondContact O-N 2.71Å; H4-R7 WeakPolarHBondContact O-CA 3.37Å; H4-R7 WeakPolarHBondContact O-CB 3.43Å; H4-R7 PolarHBondContact O-N 2.94Å; H4-D8 IonicContact CE1-OD1 2.85Å; H4-D8 PolarHBondContact CE1-OD1 2.79Å; H4-D8 IonicContact CE1-OD2 3.19Å; H4-D8 PolarHBondContact CE1-OD2 2.98Å; H4-D8 VanDerWaalsContact CE1-OD2 3.25Å; H4-D8 IonicContact CG-OD2 2.68Å; H4-D8 VanDerWaalsContact ND1-CG 3.28Å; H4-D8 IonicContact ND1-OD1 2.83Å; H4-D8 PolarHBondContact ND1-OD1 3.18Å; H4-D8 IonicContact ND1-OD2 3.62Å; H4-D8 PolarHBondContact ND1-OD2 2.86Å; H4-D8 PolarHBondContact O-N 3.19Å; H4-D8 VanDerWaalsContact O-OD2 3.12Å |
| 5 | A | 94.7 | Very high | 94.6 | Very high | 59 Ų | 59 | 109.3 Ų | 109.3 | 49% | 0.488 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -56.5 | -36.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1 L2 D8 A9 | M1-A5 PolarHBondContact O-N 2.94Å; L2-A5 PolarHBondContact O-N 3.47Å; A5-D8 PolarHBondContact O-N 3.44Å; A5-A9 VanDerWaalsContact O-CB 3.23Å; A5-A9 WeakPolarHBondContact O-CB 3.46Å; A5-A9 PolarHBondContact O-N 2.94Å |
| 6 | L | 94.7 | Very high | 94.8 | Very high | 98 Ų | 98 | 109.2 Ų | 109.2 | 51% | 0.513 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.9 | -38.1 | 174.2 | -178.4 | 62.9 | 0 | 0 | 0 | 112.9 | L2 H4 K10 | L2-L6 WeakPolarHBondContact O-CB 3.25Å; L2-L6 PolarHBondContact O-N 3.07Å; H4-L6 PolarHBondContact O-N 2.71Å; L6-K10 VanDerWaalsContact O-CG 3.31Å; L6-K10 WeakPolarHBondContact O-CG 3.32Å; L6-K10 PolarHBondContact O-N 3.21Å; L6-K10 VanDerWaalsContact O-N 3.14Å |
| 7 | R | 95.3 | Very high | 95 | Very high | 164 Ų | 164 | 107.6 Ų | 107.6 | 62% | 0.619 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -68.1 | -42.9 | 174.4 | -76.5 | -174 | -68.4 | -179.2 | 1.8 | 111.1 | E3 H4 K10 M11 | E3-R7 WeakPolarHBondContact O-CG 3.4Å; E3-R7 PolarHBondContact O-N 3.19Å; H4-R7 WeakPolarHBondContact O-CA 3.37Å; H4-R7 WeakPolarHBondContact O-CB 3.43Å; H4-R7 PolarHBondContact O-N 2.94Å; R7-K10 PolarHBondContact O-N 3.21Å; R7-M11 WeakPolarHBondContact O-CG 3.36Å; R7-M11 PolarHBondContact O-N 3.46Å |
| 8 | D | 96.1 | Very high | 95.1 | Very high | 80 Ų | 80 | 108.9 Ų | 108.9 | 43% | 0.428 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.8 | -42.1 | 180 | -51.8 | -24.9 | 0 | 0 | 0 | 110.9 | H4 A5 K10 M11 A12 | H4-D8 IonicContact CE1-OD1 2.85Å; H4-D8 PolarHBondContact CE1-OD1 2.79Å; H4-D8 IonicContact CE1-OD2 3.19Å; H4-D8 PolarHBondContact CE1-OD2 2.98Å; H4-D8 VanDerWaalsContact CE1-OD2 3.25Å; H4-D8 IonicContact CG-OD2 2.68Å; H4-D8 VanDerWaalsContact ND1-CG 3.28Å; H4-D8 IonicContact ND1-OD1 2.83Å; H4-D8 PolarHBondContact ND1-OD1 3.18Å; H4-D8 IonicContact ND1-OD2 3.62Å; H4-D8 PolarHBondContact ND1-OD2 2.86Å; H4-D8 PolarHBondContact O-N 3.19Å; H4-D8 VanDerWaalsContact O-OD2 3.12Å; A5-D8 PolarHBondContact O-N 3.44Å; D8-K10 PolarHBondContact O-N 3.4Å; D8-M11 PolarHBondContact O-N 2.71Å; D8-A12 WeakPolarHBondContact O-CB 3.36Å; D8-A12 PolarHBondContact O-N 2.87Å |
| 9 | A | 96.2 | Very high | 95.3 | Very high | 57 Ų | 57 | 108.7 Ų | 108.7 | 47% | 0.471 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60.3 | -42.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A5 A12 E13 | A5-A9 VanDerWaalsContact O-CB 3.23Å; A5-A9 WeakPolarHBondContact O-CB 3.46Å; A5-A9 PolarHBondContact O-N 2.94Å; A9-A12 PolarHBondContact O-N 2.85Å; A9-E13 WeakPolarHBondContact O-CB 3.46Å; A9-E13 PolarHBondContact O-N 3.09Å |
| 10 | K | 96.1 | Very high | 95.4 | Very high | 116 Ų | 116 | 111.2 Ų | 111.2 | 50% | 0.504 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.8 | -36.2 | 175.3 | -75.8 | 176.8 | 178.2 | -174.9 | 0 | 112.9 | L6 R7 D8 T14 | L6-K10 VanDerWaalsContact O-CG 3.31Å; L6-K10 WeakPolarHBondContact O-CG 3.32Å; L6-K10 PolarHBondContact O-N 3.21Å; L6-K10 VanDerWaalsContact O-N 3.14Å; R7-K10 PolarHBondContact O-N 3.21Å; D8-K10 PolarHBondContact O-N 3.4Å; K10-T14 WeakPolarHBondContact O-CB 3.43Å; K10-T14 PolarHBondContact O-N 3.45Å; K10-T14 PolarHBondContact O-OG1 3.44Å |
| 11 | M | 96.9 | Very high | 95.5 | Very high | 126 Ų | 126 | 111.3 Ų | 111.3 | 62% | 0.621 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.3 | -45 | 173.9 | -72.3 | -62.5 | -64.9 | 0 | 0 | 111 | R7 D8 T14 C15 | R7-M11 WeakPolarHBondContact O-CG 3.36Å; R7-M11 PolarHBondContact O-N 3.46Å; D8-M11 PolarHBondContact O-N 2.71Å; M11-T14 WeakPolarHBondContact O-CB 3.2Å; M11-T14 PolarHBondContact O-N 3.09Å; M11-C15 PolarHBondContact O-N 3.27Å; M11-C15 PolarHBondContact O-SG 2.84Å; M11-C15 VanDerWaalsContact O-SG 3.38Å |
| 12 | A | 97.3 | Very high | 96.3 | Very high | 49 Ų | 49 | 104.6 Ų | 104.6 | 41% | 0.405 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62 | -45 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D8 A9 T14 C15 I16 | D8-A12 WeakPolarHBondContact O-CB 3.36Å; D8-A12 PolarHBondContact O-N 2.87Å; A9-A12 PolarHBondContact O-N 2.85Å; A12-T14 VanDerWaalsContact C-N 3.33Å; A12-T14 PolarHBondContact O-N 3.32Å; A12-C15 WeakPolarHBondContact O-CB 3.48Å; A12-C15 PolarHBondContact O-N 2.86Å; A12-I16 WeakPolarHBondContact O-CG1 3.44Å; A12-I16 PolarHBondContact O-N 2.79Å |
| 13 | E | 96.6 | Very high | 96.6 | Very high | 125 Ų | 125 | 104.3 Ų | 104.3 | 58% | 0.584 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -56.9 | -46.1 | 173.4 | -177.8 | -179.5 | -165.3 | 0 | 0 | 111.3 | A9 C15 I16 V17 | A9-E13 WeakPolarHBondContact O-CB 3.46Å; A9-E13 PolarHBondContact O-N 3.09Å; E13-C15 VanDerWaalsContact C-N 3.31Å; E13-C15 PolarHBondContact O-N 3.03Å; E13-I16 PolarHBondContact O-N 2.9Å; E13-V17 VanDerWaalsContact O-CG2 3.31Å; E13-V17 WeakPolarHBondContact O-CG2 3.49Å; E13-V17 PolarHBondContact O-N 3.47Å |
| 14 | T | 96.8 | Very high | 96.8 | Very high | 68 Ų | 68 | 103.7 Ų | 103.7 | 42% | 0.417 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.6 | -37.7 | 177.3 | -58.2 | 0 | 0 | 0 | 0 | 112.1 | K10 M11 A12 K18 | K10-T14 WeakPolarHBondContact O-CB 3.43Å; K10-T14 PolarHBondContact O-N 3.45Å; K10-T14 PolarHBondContact O-OG1 3.44Å; M11-T14 WeakPolarHBondContact O-CB 3.2Å; M11-T14 PolarHBondContact O-N 3.09Å; A12-T14 VanDerWaalsContact C-N 3.33Å; A12-T14 PolarHBondContact O-N 3.32Å; T14-K18 WeakPolarHBondContact O-CG 3.28Å; T14-K18 PolarHBondContact O-N 2.87Å |
| 15 | C | 97.3 | Very high | 97 | Very high | 62 Ų | 62 | 103.8 Ų | 103.8 | 42% | 0.419 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66 | -49.4 | 173.8 | -71 | 0 | 0 | 0 | 0 | 111.8 | M11 A12 E13 V17 K18 E19 | M11-C15 PolarHBondContact O-N 3.27Å; M11-C15 PolarHBondContact O-SG 2.84Å; M11-C15 VanDerWaalsContact O-SG 3.38Å; A12-C15 WeakPolarHBondContact O-CB 3.48Å; A12-C15 PolarHBondContact O-N 2.86Å; E13-C15 VanDerWaalsContact C-N 3.31Å; E13-C15 PolarHBondContact O-N 3.03Å; C15-V17 VanDerWaalsContact C-N 3.28Å; C15-V17 PolarHBondContact O-N 2.86Å; C15-K18 WeakPolarHBondContact O-CB 3.42Å; C15-K18 PolarHBondContact O-N 3.39Å; C15-K18 VanDerWaalsContact O-N 3.08Å; C15-E19 PolarHBondContact O-N 3.34Å |
| 16 | I | 97.7 | Very high | 97.2 | Very high | 108 Ų | 108 | 106.8 Ų | 106.8 | 55% | 0.554 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.3 | -38.8 | 178.5 | -67.3 | 163.8 | 0 | 0 | 0 | 111.3 | A12 E13 K20 | A12-I16 WeakPolarHBondContact O-CG1 3.44Å; A12-I16 PolarHBondContact O-N 2.79Å; E13-I16 PolarHBondContact O-N 2.9Å; I16-K20 VanDerWaalsContact O-CB 3.22Å; I16-K20 WeakPolarHBondContact O-CB 3.43Å; I16-K20 PolarHBondContact O-N 2.94Å |
| 17 | V | 97.8 | Very high | 97.4 | Very high | 82 Ų | 82 | 108 Ų | 108 | 50% | 0.497 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.9 | -40.2 | 176.3 | 169.4 | 0 | 0 | 0 | 0 | 111.8 | E13 C15 Q21 | E13-V17 VanDerWaalsContact O-CG2 3.31Å; E13-V17 WeakPolarHBondContact O-CG2 3.49Å; E13-V17 PolarHBondContact O-N 3.47Å; C15-V17 VanDerWaalsContact C-N 3.28Å; C15-V17 PolarHBondContact O-N 2.86Å; V17-Q21 PolarHBondContact O-N 3.03Å; V17-Q21 VanDerWaalsContact O-N 3.1Å |
| 18 | K | 97.7 | Very high | 97.5 | Very high | 132 Ų | 132 | 106.7 Ų | 106.7 | 57% | 0.574 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.2 | -50.7 | 174.5 | -72.2 | 172.4 | -179.6 | 179.4 | 0 | 111.4 | T14 C15 K20 Q21 D22 | T14-K18 WeakPolarHBondContact O-CG 3.28Å; T14-K18 PolarHBondContact O-N 2.87Å; C15-K18 WeakPolarHBondContact O-CB 3.42Å; C15-K18 PolarHBondContact O-N 3.39Å; C15-K18 VanDerWaalsContact O-N 3.08Å; K18-K20 VanDerWaalsContact C-N 3.3Å; K18-K20 PolarHBondContact O-N 2.79Å; K18-Q21 WeakPolarHBondContact O-CA 3.26Å; K18-Q21 WeakPolarHBondContact O-CB 3.48Å; K18-Q21 PolarHBondContact O-N 3.16Å; K18-D22 PolarHBondContact O-N 2.93Å |
| 19 | E | 97.9 | Very high | 97.7 | Very high | 104 Ų | 104 | 105.6 Ų | 105.6 | 49% | 0.486 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -56 | -45 | 177.2 | -71.6 | 177.3 | -178.3 | 0 | 0 | 111.6 | C15 Q21 D22 Y23 | C15-E19 PolarHBondContact O-N 3.34Å; E19-Q21 VanDerWaalsContact C-N 3.28Å; E19-Q21 PolarHBondContact O-N 2.73Å; E19-D22 PolarHBondContact O-N 2.85Å; E19-D22 VanDerWaalsContact O-N 3.16Å; E19-Y23 HydrophobicContact CB-CD2 4.35Å; E19-Y23 HydrophobicContact CB-CE2 4.16Å; E19-Y23 WeakPolarHBondContact O-CD2 3.5Å; E19-Y23 PolarHBondContact O-N 3.08Å |
| 20 | K | 97.6 | Very high | 97.8 | Very high | 158 Ų | 158 | 107.5 Ų | 107.5 | 69% | 0.687 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -58 | -38.6 | 174.4 | 179.3 | -179.6 | 178.8 | 178.7 | 0 | 112.6 | I16 K18 K24 | I16-K20 VanDerWaalsContact O-CB 3.22Å; I16-K20 WeakPolarHBondContact O-CB 3.43Å; I16-K20 PolarHBondContact O-N 2.94Å; K18-K20 VanDerWaalsContact C-N 3.3Å; K18-K20 PolarHBondContact O-N 2.79Å; K20-K24 WeakPolarHBondContact O-CB 3.29Å; K20-K24 PolarHBondContact O-N 3.29Å; K20-K24 VanDerWaalsContact O-N 3.08Å |
| 21 | Q | 98.3 | Very high | 97.9 | Very high | 114 Ų | 114 | 108.7 Ų | 108.7 | 53% | 0.533 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.1 | -42.6 | 175.2 | 177.7 | 168 | -33.6 | 0 | 0 | 111.6 | V17 K18 E19 K24 Q25 | V17-Q21 PolarHBondContact O-N 3.03Å; V17-Q21 VanDerWaalsContact O-N 3.1Å; K18-Q21 WeakPolarHBondContact O-CA 3.26Å; K18-Q21 WeakPolarHBondContact O-CB 3.48Å; K18-Q21 PolarHBondContact O-N 3.16Å; E19-Q21 VanDerWaalsContact C-N 3.28Å; E19-Q21 PolarHBondContact O-N 2.73Å; Q21-K24 WeakPolarHBondContact O-CB 3.28Å; Q21-K24 PolarHBondContact O-N 3.45Å; Q21-Q25 WeakPolarHBondContact O-CG 3.35Å; Q21-Q25 PolarHBondContact O-N 3.06Å |
| 22 | D | 98.2 | Very high | 98 | Very high | 76 Ų | 76 | 108.4 Ų | 108.4 | 41% | 0.406 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.7 | -44.3 | 178.1 | -65.8 | -14.3 | 0 | 0 | 0 | 111.4 | K18 E19 K24 Q25 K26 | K18-D22 PolarHBondContact O-N 2.93Å; E19-D22 PolarHBondContact O-N 2.85Å; E19-D22 VanDerWaalsContact O-N 3.16Å; D22-K24 VanDerWaalsContact C-N 3.31Å; D22-K24 PolarHBondContact O-N 2.93Å; D22-Q25 PolarHBondContact O-N 3.14Å; D22-Q25 VanDerWaalsContact O-N 3.14Å; D22-K26 WeakPolarHBondContact O-CG 3.16Å; D22-K26 PolarHBondContact O-N 3.22Å |
| 23 | Y | 98.3 | Very high | 98 | Very high | 150 Ų | 150 | 111.3 Ų | 111.3 | 59% | 0.588 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.6 | -38.1 | 173 | -72.8 | -59.9 | 0 | 0 | 0 | 112.1 | E19 Q25 K26 L27 | E19-Y23 HydrophobicContact CB-CD2 4.35Å; E19-Y23 HydrophobicContact CB-CE2 4.16Å; E19-Y23 WeakPolarHBondContact O-CD2 3.5Å; E19-Y23 PolarHBondContact O-N 3.08Å; Y23-Q25 VanDerWaalsContact C-N 3.31Å; Y23-Q25 PolarHBondContact O-N 3.36Å; Y23-K26 HydrophobicContact CD1-CD 4.41Å; Y23-K26 PolarHBondContact O-N 3.46Å; Y23-L27 VanDerWaalsContact O-CB 3.32Å; Y23-L27 WeakPolarHBondContact O-CB 3.47Å; Y23-L27 PolarHBondContact O-N 3.01Å |
| 24 | K | 98.3 | Very high | 98.1 | Very high | 139 Ų | 139 | 109.9 Ų | 109.9 | 60% | 0.604 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.5 | -33.9 | 173.9 | -175.1 | 179.9 | -177.7 | -179.7 | 0 | 112.3 | K20 Q21 D22 K28 | K20-K24 WeakPolarHBondContact O-CB 3.29Å; K20-K24 PolarHBondContact O-N 3.29Å; K20-K24 VanDerWaalsContact O-N 3.08Å; Q21-K24 WeakPolarHBondContact O-CB 3.28Å; Q21-K24 PolarHBondContact O-N 3.45Å; D22-K24 VanDerWaalsContact C-N 3.31Å; D22-K24 PolarHBondContact O-N 2.93Å; K24-K28 WeakPolarHBondContact O-CG 3.16Å; K24-K28 PolarHBondContact O-N 2.95Å |
| 25 | Q | 98.5 | Very high | 98.2 | Very high | 112 Ų | 112 | 110.5 Ų | 110.5 | 52% | 0.523 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -74 | -46.1 | 174 | -69.8 | -179 | 1.8 | 0 | 0 | 111.7 | Q21 D22 Y23 L27 K28 A29 | Q21-Q25 WeakPolarHBondContact O-CG 3.35Å; Q21-Q25 PolarHBondContact O-N 3.06Å; D22-Q25 PolarHBondContact O-N 3.14Å; D22-Q25 VanDerWaalsContact O-N 3.14Å; Y23-Q25 VanDerWaalsContact C-N 3.31Å; Y23-Q25 PolarHBondContact O-N 3.36Å; Q25-L27 VanDerWaalsContact C-N 3.32Å; Q25-L27 PolarHBondContact O-N 3.48Å; Q25-K28 WeakPolarHBondContact O-CB 3.42Å; Q25-K28 PolarHBondContact O-N 3.27Å; Q25-A29 PolarHBondContact O-N 3.28Å |
| 26 | K | 98.4 | Very high | 98.3 | Very high | 123 Ų | 123 | 113.4 Ų | 113.4 | 54% | 0.535 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -56.5 | -43.4 | 174.8 | -71.5 | 170.4 | -178 | 173.7 | 0 | 112 | D22 Y23 K28 A29 L30 | D22-K26 WeakPolarHBondContact O-CG 3.16Å; D22-K26 PolarHBondContact O-N 3.22Å; Y23-K26 HydrophobicContact CD1-CD 4.41Å; Y23-K26 PolarHBondContact O-N 3.46Å; K26-K28 VanDerWaalsContact C-N 3.32Å; K26-K28 PolarHBondContact O-N 2.96Å; K26-A29 PolarHBondContact O-N 3.47Å; K26-L30 WeakPolarHBondContact O-CG 3.49Å; K26-L30 PolarHBondContact O-N 2.88Å |
| 27 | L | 98.3 | Very high | 98.4 | Very high | 124 Ų | 124 | 113.1 Ų | 113.1 | 65% | 0.649 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.4 | -36.5 | 175.9 | -178.4 | 62.7 | 0 | 0 | 0 | 112.7 | Y23 Q25 K31 | Y23-L27 VanDerWaalsContact O-CB 3.32Å; Y23-L27 WeakPolarHBondContact O-CB 3.47Å; Y23-L27 PolarHBondContact O-N 3.01Å; Q25-L27 VanDerWaalsContact C-N 3.32Å; Q25-L27 PolarHBondContact O-N 3.48Å; L27-K31 WeakPolarHBondContact O-CB 3.42Å; L27-K31 PolarHBondContact O-N 2.99Å |
| 28 | K | 98.6 | Very high | 98.4 | Very high | 135 Ų | 135 | 116.6 Ų | 116.6 | 59% | 0.587 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.8 | -43.7 | 173.8 | -73.9 | 176.6 | 173.9 | -167.3 | 0 | 111.7 | K24 Q25 K26 K31 I32 | K24-K28 WeakPolarHBondContact O-CG 3.16Å; K24-K28 PolarHBondContact O-N 2.95Å; Q25-K28 WeakPolarHBondContact O-CB 3.42Å; Q25-K28 PolarHBondContact O-N 3.27Å; K26-K28 VanDerWaalsContact C-N 3.32Å; K26-K28 PolarHBondContact O-N 2.96Å; K28-K31 PolarHBondContact O-N 3.31Å; K28-I32 WeakPolarHBondContact O-CG1 3.39Å; K28-I32 PolarHBondContact O-N 2.86Å; K28-I32 VanDerWaalsContact O-N 3.14Å |
| 29 | A | 98.6 | Very high | 98.4 | Very high | 57 Ų | 57 | 116.6 Ų | 116.6 | 47% | 0.471 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.4 | -50.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q25 K26 K31 I32 E33 | Q25-A29 PolarHBondContact O-N 3.28Å; K26-A29 PolarHBondContact O-N 3.47Å; A29-K31 VanDerWaalsContact C-N 3.28Å; A29-K31 PolarHBondContact O-N 3.02Å; A29-I32 WeakPolarHBondContact O-CB 3.42Å; A29-I32 PolarHBondContact O-N 3.07Å; A29-E33 PolarHBondContact O-N 3.04Å |
| 30 | L | 98.6 | Very high | 98.5 | Very high | 97 Ų | 97 | 114.4 Ų | 114.4 | 51% | 0.508 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -58.6 | -37.1 | 175.9 | -71.8 | 170.8 | 0 | 0 | 0 | 112.5 | K26 I32 E33 V34 | K26-L30 WeakPolarHBondContact O-CG 3.49Å; K26-L30 PolarHBondContact O-N 2.88Å; L30-I32 VanDerWaalsContact C-N 3.35Å; L30-I32 PolarHBondContact O-N 3.27Å; L30-E33 PolarHBondContact O-N 3.3Å; L30-V34 WeakPolarHBondContact O-CB 3.36Å; L30-V34 VanDerWaalsContact O-CG2 3.29Å; L30-V34 WeakPolarHBondContact O-CG2 3.43Å; L30-V34 PolarHBondContact O-N 3.46Å |
| 31 | K | 98.6 | Very high | 98.5 | Very high | 142 Ų | 142 | 112.4 Ų | 112.4 | 62% | 0.617 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.1 | -37.2 | 175.7 | -174.5 | 174.3 | -179.6 | 178.3 | 0 | 112.6 | L27 K28 A29 N35 | L27-K31 WeakPolarHBondContact O-CB 3.42Å; L27-K31 PolarHBondContact O-N 2.99Å; K28-K31 PolarHBondContact O-N 3.31Å; A29-K31 VanDerWaalsContact C-N 3.28Å; A29-K31 PolarHBondContact O-N 3.02Å; K31-N35 VanDerWaalsContact O-CG 3.31Å; K31-N35 PolarHBondContact O-N 2.91Å; K31-N35 VanDerWaalsContact O-N 3.15Å |
| 32 | I | 98.6 | Very high | 98.5 | Very high | 119 Ų | 119 | 112 Ų | 112 | 61% | 0.61 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68.7 | -43.9 | 175.2 | -65.7 | 163.6 | 0 | 0 | 0 | 109.9 | K28 A29 L30 N35 K36 | K28-I32 WeakPolarHBondContact O-CG1 3.39Å; K28-I32 PolarHBondContact O-N 2.86Å; K28-I32 VanDerWaalsContact O-N 3.14Å; A29-I32 WeakPolarHBondContact O-CB 3.42Å; A29-I32 PolarHBondContact O-N 3.07Å; L30-I32 VanDerWaalsContact C-N 3.35Å; L30-I32 PolarHBondContact O-N 3.27Å; I32-N35 PolarHBondContact O-N 3.26Å; I32-K36 PolarHBondContact O-N 3.4Å |
| 33 | E | 98.6 | Very high | 98.6 | Very high | 111 Ų | 111 | 114 Ų | 114 | 52% | 0.519 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62 | -44.2 | 177.6 | -173.5 | 172 | -157.4 | 0 | 0 | 112.3 | A29 L30 N35 K36 L37 | A29-E33 PolarHBondContact O-N 3.04Å; L30-E33 PolarHBondContact O-N 3.3Å; E33-N35 VanDerWaalsContact C-N 3.34Å; E33-N35 PolarHBondContact O-N 2.99Å; E33-K36 PolarHBondContact O-N 3.4Å; E33-L37 HydrophobicContact CG-CD1 4.19Å; E33-L37 WeakPolarHBondContact O-CB 3.3Å; E33-L37 WeakPolarHBondContact O-CG 3.44Å; E33-L37 PolarHBondContact O-N 2.93Å |
| 34 | V | 98.7 | Very high | 98.6 | Very high | 94 Ų | 94 | 112.5 Ų | 112.5 | 57% | 0.57 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.7 | -39.7 | 174.3 | 167.4 | 0 | 0 | 0 | 0 | 112 | L30 K38 | L30-V34 WeakPolarHBondContact O-CB 3.36Å; L30-V34 VanDerWaalsContact O-CG2 3.29Å; L30-V34 WeakPolarHBondContact O-CG2 3.43Å; L30-V34 PolarHBondContact O-N 3.46Å; V34-K38 WeakPolarHBondContact O-CB 3.45Å; V34-K38 PolarHBondContact O-N 2.93Å; V34-K38 VanDerWaalsContact O-N 3.09Å |
| 35 | N | 98.6 | Very high | 98.6 | Very high | 82 Ų | 82 | 109.2 Ų | 109.2 | 44% | 0.439 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.5 | -46.3 | 175 | -76.4 | -4.3 | 0 | 0 | 0 | 111.2 | K31 I32 E33 K38 E39 | K31-N35 VanDerWaalsContact O-CG 3.31Å; K31-N35 PolarHBondContact O-N 2.91Å; K31-N35 VanDerWaalsContact O-N 3.15Å; I32-N35 PolarHBondContact O-N 3.26Å; E33-N35 VanDerWaalsContact C-N 3.34Å; E33-N35 PolarHBondContact O-N 2.99Å; N35-K38 WeakPolarHBondContact O-CB 3.37Å; N35-K38 PolarHBondContact O-N 3.4Å; N35-K38 VanDerWaalsContact O-N 3.16Å; N35-E39 PolarHBondContact O-N 3Å |
| 36 | K | 98.8 | Very high | 98.6 | Very high | 123 Ų | 123 | 106.9 Ų | 106.9 | 54% | 0.535 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58.8 | -50 | 176.6 | -172.3 | -166.3 | 170 | -170.7 | 0 | 111.4 | I32 E33 K38 E39 D40 | I32-K36 PolarHBondContact O-N 3.4Å; E33-K36 PolarHBondContact O-N 3.4Å; K36-K38 PolarHBondContact O-N 3.37Å; K36-E39 WeakPolarHBondContact O-CA 3.38Å; K36-E39 WeakPolarHBondContact O-CB 3.44Å; K36-E39 PolarHBondContact O-N 3.42Å; K36-D40 WeakPolarHBondContact CE-OD2 3.32Å; K36-D40 VanDerWaalsContact O-CG 3.28Å; K36-D40 PolarHBondContact O-N 3.21Å |
| 37 | L | 98.8 | Very high | 98.6 | Very high | 102 Ų | 102 | 104.1 Ų | 104.1 | 53% | 0.534 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61 | -28.5 | 178.9 | -70.2 | 172.7 | 0 | 0 | 0 | 112.7 | E33 L41 | E33-L37 HydrophobicContact CG-CD1 4.19Å; E33-L37 WeakPolarHBondContact O-CB 3.3Å; E33-L37 WeakPolarHBondContact O-CG 3.44Å; E33-L37 PolarHBondContact O-N 2.93Å; L37-L41 WeakPolarHBondContact O-CB 3.34Å; L37-L41 PolarHBondContact O-N 2.87Å |
| 38 | K | 98.8 | Very high | 98.7 | Very high | 155 Ų | 155 | 101.1 Ų | 101.1 | 67% | 0.674 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -72.7 | -39.1 | 173 | -174.1 | -172.6 | 175.3 | -169.6 | 0 | 112.1 | V34 N35 K36 N42 | V34-K38 WeakPolarHBondContact O-CB 3.45Å; V34-K38 PolarHBondContact O-N 2.93Å; V34-K38 VanDerWaalsContact O-N 3.09Å; N35-K38 WeakPolarHBondContact O-CB 3.37Å; N35-K38 PolarHBondContact O-N 3.4Å; N35-K38 VanDerWaalsContact O-N 3.16Å; K36-K38 PolarHBondContact O-N 3.37Å; K38-N42 WeakPolarHBondContact O-CB 3.38Å; K38-N42 PolarHBondContact O-N 2.96Å |
| 39 | E | 98.6 | Very high | 98.7 | Very high | 132 Ų | 132 | 98.7 Ų | 98.7 | 62% | 0.617 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.8 | -50.5 | 174.1 | -71.3 | 163.3 | -167.9 | 0 | 0 | 110.5 | N35 K36 L41 N42 E43 | N35-E39 PolarHBondContact O-N 3Å; K36-E39 WeakPolarHBondContact O-CA 3.38Å; K36-E39 WeakPolarHBondContact O-CB 3.44Å; K36-E39 PolarHBondContact O-N 3.42Å; E39-L41 VanDerWaalsContact C-N 3.31Å; E39-L41 PolarHBondContact O-N 3.46Å; E39-N42 WeakPolarHBondContact O-CB 3.46Å; E39-N42 PolarHBondContact O-N 3.5Å; E39-E43 PolarHBondContact O-N 2.95Å |
| 40 | D | 98.8 | Very high | 98.7 | Very high | 58 Ų | 58 | 101.6 Ų | 101.6 | 31% | 0.31 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -54.9 | -43.9 | 175.1 | -63.5 | -14.9 | 0 | 0 | 0 | 111.2 | K36 K44 | K36-D40 WeakPolarHBondContact CE-OD2 3.32Å; K36-D40 VanDerWaalsContact O-CG 3.28Å; K36-D40 PolarHBondContact O-N 3.21Å; D40-K44 WeakPolarHBondContact O-CB 3.49Å; D40-K44 VanDerWaalsContact O-CG 3.3Å; D40-K44 WeakPolarHBondContact O-CG 3.14Å; D40-K44 PolarHBondContact O-N 3.4Å |
| 41 | L | 98.6 | Very high | 98.7 | Very high | 115 Ų | 115 | 101.2 Ų | 101.2 | 60% | 0.602 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.9 | -38.4 | 176.9 | 177.8 | 62.9 | 0 | 0 | 0 | 112.5 | L37 E39 T45 | L37-L41 WeakPolarHBondContact O-CB 3.34Å; L37-L41 PolarHBondContact O-N 2.87Å; E39-L41 VanDerWaalsContact C-N 3.31Å; E39-L41 PolarHBondContact O-N 3.46Å; L41-T45 WeakPolarHBondContact O-CB 3.45Å; L41-T45 PolarHBondContact O-N 3.21Å; L41-T45 PolarHBondContact O-OG1 3.4Å |
| 42 | N | 98.6 | Very high | 98.7 | Very high | 107 Ų | 107 | 101.4 Ų | 101.4 | 57% | 0.572 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.5 | -45.4 | 177.7 | -176.2 | 90.2 | 0 | 0 | 0 | 111 | K38 E39 T45 T46 | K38-N42 WeakPolarHBondContact O-CB 3.38Å; K38-N42 PolarHBondContact O-N 2.96Å; E39-N42 WeakPolarHBondContact O-CB 3.46Å; E39-N42 PolarHBondContact O-N 3.5Å; N42-T45 WeakPolarHBondContact O-CB 3.46Å; N42-T45 PolarHBondContact O-N 3.03Å; N42-T45 VanDerWaalsContact O-N 3.1Å; N42-T46 PolarHBondContact O-N 2.77Å; N42-T46 PolarHBondContact O-OG1 3.28Å |
| 43 | E | 98.7 | Very high | 98.7 | Very high | 117 Ų | 117 | 101 Ų | 101 | 55% | 0.547 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.4 | -46.5 | 174.5 | -176.4 | -176.1 | -160.5 | 0 | 0 | 111.6 | E39 T45 T46 E47 | E39-E43 PolarHBondContact O-N 2.95Å; E43-T45 PolarHBondContact O-N 3.39Å; E43-T46 PolarHBondContact O-N 2.95Å; E43-T46 PolarHBondContact O-OG1 3.46Å; E43-E47 WeakPolarHBondContact O-CB 3.41Å; E43-E47 PolarHBondContact O-N 3.45Å |
| 44 | K | 98.8 | Very high | 98.7 | Very high | 118 Ų | 118 | 99.3 Ų | 99.3 | 51% | 0.513 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.8 | -25.8 | 176.1 | -67 | -68.3 | 154 | -157.6 | 0 | 113.1 | D40 E47 N48 | D40-K44 WeakPolarHBondContact O-CB 3.49Å; D40-K44 VanDerWaalsContact O-CG 3.3Å; D40-K44 WeakPolarHBondContact O-CG 3.14Å; D40-K44 PolarHBondContact O-N 3.4Å; K44-E47 WeakPolarHBondContact CD-OE2 3.34Å; K44-E47 IonicContact NZ-OE2 2.7Å; K44-E47 PolarHBondContact NZ-OE2 2.93Å; K44-N48 WeakPolarHBondContact O-CB 3.48Å; K44-N48 PolarHBondContact O-N 3.31Å; K44-N48 VanDerWaalsContact O-N 3.1Å |
| 45 | T | 98.7 | Very high | 98.7 | Very high | 71 Ų | 71 | 99.1 Ų | 99.1 | 44% | 0.436 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -72.3 | -42.6 | 173.1 | -57.5 | 0 | 0 | 0 | 0 | 111.2 | L41 N42 E43 N48 N49 | L41-T45 WeakPolarHBondContact O-CB 3.45Å; L41-T45 PolarHBondContact O-N 3.21Å; L41-T45 PolarHBondContact O-OG1 3.4Å; N42-T45 WeakPolarHBondContact O-CB 3.46Å; N42-T45 PolarHBondContact O-N 3.03Å; N42-T45 VanDerWaalsContact O-N 3.1Å; E43-T45 PolarHBondContact O-N 3.39Å; T45-N48 PolarHBondContact O-N 3.39Å; T45-N49 PolarHBondContact O-N 2.83Å; T45-N49 PolarHBondContact O-ND2 3.17Å |
| 46 | T | 98.6 | Very high | 98.7 | Very high | 62 Ų | 62 | 99.7 Ų | 99.7 | 38% | 0.38 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.9 | -44.9 | 176.1 | 49.1 | 0 | 0 | 0 | 0 | 111.8 | N42 E43 N48 N49 E50 | N42-T46 PolarHBondContact O-N 2.77Å; N42-T46 PolarHBondContact O-OG1 3.28Å; E43-T46 PolarHBondContact O-N 2.95Å; E43-T46 PolarHBondContact O-OG1 3.46Å; T46-N48 VanDerWaalsContact C-N 3.3Å; T46-N48 PolarHBondContact O-N 2.84Å; T46-N49 WeakPolarHBondContact O-CB 3.38Å; T46-N49 PolarHBondContact O-N 2.94Å; T46-E50 PolarHBondContact O-N 2.89Å |
| 47 | E | 98.7 | Very high | 98.7 | Very high | 65 Ų | 65 | 99.5 Ų | 99.5 | 30% | 0.304 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.9 | -40.4 | 175.8 | -169.6 | -166.6 | 162.7 | 0 | 0 | 111.6 | E43 K44 N49 E50 Q51 | E43-E47 WeakPolarHBondContact O-CB 3.41Å; E43-E47 PolarHBondContact O-N 3.45Å; K44-E47 WeakPolarHBondContact CD-OE2 3.34Å; K44-E47 IonicContact NZ-OE2 2.7Å; K44-E47 PolarHBondContact NZ-OE2 2.93Å; E47-N49 VanDerWaalsContact C-N 3.29Å; E47-N49 PolarHBondContact O-N 3.12Å; E47-E50 PolarHBondContact O-N 3.37Å; E47-Q51 WeakPolarHBondContact O-CB 3.35Å; E47-Q51 VanDerWaalsContact O-CG 3.23Å; E47-Q51 WeakPolarHBondContact O-CG 3.48Å; E47-Q51 PolarHBondContact O-N 3.08Å; E47-Q51 PolarHBondContact OE1-NE2 3.47Å |
| 48 | N | 98.7 | Very high | 98.7 | Very high | 62 Ų | 62 | 98.6 Ų | 98.6 | 33% | 0.332 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.5 | -32.1 | 177.1 | -167.1 | -112.7 | 0 | 0 | 0 | 112.9 | K44 T45 T46 R52 | K44-N48 WeakPolarHBondContact O-CB 3.48Å; K44-N48 PolarHBondContact O-N 3.31Å; K44-N48 VanDerWaalsContact O-N 3.1Å; T45-N48 PolarHBondContact O-N 3.39Å; T46-N48 VanDerWaalsContact C-N 3.3Å; T46-N48 PolarHBondContact O-N 2.84Å; N48-R52 WeakPolarHBondContact O-CD 3.38Å; N48-R52 VanDerWaalsContact O-CG 3.23Å; N48-R52 WeakPolarHBondContact O-CG 3.42Å; N48-R52 PolarHBondContact O-N 3.46Å; N48-R52 VanDerWaalsContact O-N 3.17Å; N48-R52 PolarHBondContact OD1-NE 3.38Å; N48-R52 PolarHBondContact OD1-NH2 3.44Å; N48-R52 VanDerWaalsContact OD1-NH2 3.09Å |
| 49 | N | 98.6 | Very high | 98.7 | Very high | 83 Ų | 83 | 98 Ų | 98 | 44% | 0.444 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -71 | -46.3 | 175.5 | -67.3 | -28.9 | 0 | 0 | 0 | 110.9 | T45 T46 E47 Q51 R52 E53 | T45-N49 PolarHBondContact O-N 2.83Å; T45-N49 PolarHBondContact O-ND2 3.17Å; T46-N49 WeakPolarHBondContact O-CB 3.38Å; T46-N49 PolarHBondContact O-N 2.94Å; E47-N49 VanDerWaalsContact C-N 3.29Å; E47-N49 PolarHBondContact O-N 3.12Å; N49-Q51 VanDerWaalsContact C-N 3.33Å; N49-Q51 PolarHBondContact O-N 2.93Å; N49-R52 WeakPolarHBondContact O-CB 3.44Å; N49-R52 PolarHBondContact O-N 2.89Å; N49-E53 PolarHBondContact O-N 3.15Å |
| 50 | E | 98.7 | Very high | 98.7 | Very high | 118 Ų | 118 | 97.9 Ų | 97.9 | 55% | 0.551 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -58 | -43.5 | 175.5 | -68.9 | 170.2 | -168.3 | 0 | 0 | 112 | T46 E47 R52 E53 E54 | T46-E50 PolarHBondContact O-N 2.89Å; E47-E50 PolarHBondContact O-N 3.37Å; E50-R52 VanDerWaalsContact C-N 3.32Å; E50-R52 PolarHBondContact O-N 3.23Å; E50-E53 PolarHBondContact O-N 3.38Å; E50-E54 PolarHBondContact O-N 2.97Å |
| 51 | Q | 98.8 | Very high | 98.7 | Very high | 89 Ų | 89 | 100.3 Ų | 100.3 | 42% | 0.416 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.1 | -38 | 174.4 | -73 | 171.1 | 2.2 | 0 | 0 | 112.5 | E47 N49 I55 | E47-Q51 WeakPolarHBondContact O-CB 3.35Å; E47-Q51 VanDerWaalsContact O-CG 3.23Å; E47-Q51 WeakPolarHBondContact O-CG 3.48Å; E47-Q51 PolarHBondContact O-N 3.08Å; E47-Q51 PolarHBondContact OE1-NE2 3.47Å; N49-Q51 VanDerWaalsContact C-N 3.33Å; N49-Q51 PolarHBondContact O-N 2.93Å; Q51-I55 WeakPolarHBondContact O-CB 3.37Å; Q51-I55 WeakPolarHBondContact O-CD1 3.41Å; Q51-I55 VanDerWaalsContact O-CG1 3.23Å; Q51-I55 WeakPolarHBondContact O-CG1 3.3Å; Q51-I55 PolarHBondContact O-N 3.32Å |
| 52 | R | 98.8 | Very high | 98.7 | Very high | 147 Ų | 147 | 102.5 Ų | 102.5 | 56% | 0.555 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -67.1 | -42.1 | 175.8 | -73.5 | 165.4 | -173 | -85.9 | -1.9 | 111.7 | N48 N49 E50 I55 I56 | N48-R52 WeakPolarHBondContact O-CD 3.38Å; N48-R52 VanDerWaalsContact O-CG 3.23Å; N48-R52 WeakPolarHBondContact O-CG 3.42Å; N48-R52 PolarHBondContact O-N 3.46Å; N48-R52 VanDerWaalsContact O-N 3.17Å; N48-R52 PolarHBondContact OD1-NE 3.38Å; N48-R52 PolarHBondContact OD1-NH2 3.44Å; N48-R52 VanDerWaalsContact OD1-NH2 3.09Å; N49-R52 WeakPolarHBondContact O-CB 3.44Å; N49-R52 PolarHBondContact O-N 2.89Å; E50-R52 VanDerWaalsContact C-N 3.32Å; E50-R52 PolarHBondContact O-N 3.23Å; R52-I55 PolarHBondContact O-N 3.33Å; R52-I56 VanDerWaalsContact O-CG1 3.29Å; R52-I56 WeakPolarHBondContact O-CG1 3.26Å; R52-I56 PolarHBondContact O-N 3.13Å |
| 53 | E | 98.6 | Very high | 98.7 | Very high | 109 Ų | 109 | 100.5 Ų | 100.5 | 51% | 0.509 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 175.9 | -68.4 | -176.3 | 177.7 | 0 | 0 | 111.8 | N49 E50 I56 R57 | N49-E53 PolarHBondContact O-N 3.15Å; E50-E53 PolarHBondContact O-N 3.38Å; E53-I56 WeakPolarHBondContact O-CB 3.5Å; E53-I56 PolarHBondContact O-N 2.97Å; E53-I56 VanDerWaalsContact O-N 3.1Å; E53-R57 PolarHBondContact O-N 2.99Å; E53-R57 IonicContact OE2-NH1 3.53Å |
| 54 | E | 98.7 | Very high | 98.7 | Very high | 77 Ų | 77 | 98.8 Ų | 98.8 | 36% | 0.36 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63 | -43.2 | 176.2 | -175.6 | 58.5 | -163.8 | 0 | 0 | 111.8 | E50 I56 R57 L58 | E50-E54 PolarHBondContact O-N 2.97Å; E54-I56 PolarHBondContact O-N 3.15Å; E54-R57 PolarHBondContact O-N 3.36Å; E54-R57 IonicContact OE2-CZ 2.97Å; E54-R57 IonicContact OE2-NE 3.71Å; E54-R57 PolarHBondContact OE2-NE 3.4Å; E54-R57 IonicContact OE2-NH2 2.71Å; E54-R57 PolarHBondContact OE2-NH2 3.38Å; E54-L58 HydrophobicContact CG-CD1 3.91Å; E54-L58 HydrophobicContact CG-CG 4.31Å; E54-L58 WeakPolarHBondContact O-CB 3.36Å; E54-L58 WeakPolarHBondContact O-CG 3.46Å; E54-L58 PolarHBondContact O-N 3.47Å; E54-L58 WeakPolarHBondContact OE1-CG 3.35Å |
| 55 | I | 98.8 | Very high | 98.7 | Very high | 90 Ų | 90 | 97.5 Ų | 97.5 | 46% | 0.462 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.4 | -34.5 | 173 | -71.5 | 165 | 0 | 0 | 0 | 111.7 | Q51 R52 K59 | Q51-I55 WeakPolarHBondContact O-CB 3.37Å; Q51-I55 WeakPolarHBondContact O-CD1 3.41Å; Q51-I55 VanDerWaalsContact O-CG1 3.23Å; Q51-I55 WeakPolarHBondContact O-CG1 3.3Å; Q51-I55 PolarHBondContact O-N 3.32Å; R52-I55 PolarHBondContact O-N 3.33Å; I55-K59 HydrophobicContact CG2-CD 4.15Å; I55-K59 WeakPolarHBondContact O-CB 3.32Å; I55-K59 WeakPolarHBondContact O-CD 3.47Å; I55-K59 WeakPolarHBondContact O-CG 3.43Å; I55-K59 PolarHBondContact O-N 3.31Å |
| 56 | I | 98.8 | Very high | 98.7 | Very high | 93 Ų | 93 | 99.8 Ų | 99.8 | 48% | 0.477 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -70.8 | -46.7 | 175.9 | -69 | 162.9 | 0 | 0 | 0 | 110.7 | R52 E53 E54 K59 Q60 | R52-I56 VanDerWaalsContact O-CG1 3.29Å; R52-I56 WeakPolarHBondContact O-CG1 3.26Å; R52-I56 PolarHBondContact O-N 3.13Å; E53-I56 WeakPolarHBondContact O-CB 3.5Å; E53-I56 PolarHBondContact O-N 2.97Å; E53-I56 VanDerWaalsContact O-N 3.1Å; E54-I56 PolarHBondContact O-N 3.15Å; I56-K59 PolarHBondContact O-N 2.94Å; I56-Q60 WeakPolarHBondContact O-CG 3.28Å; I56-Q60 PolarHBondContact O-N 2.88Å; I56-Q60 VanDerWaalsContact O-N 3.08Å |
| 57 | R | 98.9 | Very high | 98.7 | Very high | 119 Ų | 119 | 100.3 Ų | 100.3 | 45% | 0.449 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -57.6 | -52.5 | 176.3 | -72.2 | -172.2 | -68.9 | -98.2 | 5.3 | 111.6 | E53 E54 K59 Q60 E61 | E53-R57 PolarHBondContact O-N 2.99Å; E53-R57 IonicContact OE2-NH1 3.53Å; E54-R57 PolarHBondContact O-N 3.36Å; E54-R57 IonicContact OE2-CZ 2.97Å; E54-R57 IonicContact OE2-NE 3.71Å; E54-R57 PolarHBondContact OE2-NE 3.4Å; E54-R57 IonicContact OE2-NH2 2.71Å; E54-R57 PolarHBondContact OE2-NH2 3.38Å; R57-K59 VanDerWaalsContact C-N 3.27Å; R57-K59 PolarHBondContact O-N 3.33Å; R57-Q60 WeakPolarHBondContact O-CB 3.48Å; R57-Q60 PolarHBondContact O-N 3.49Å; R57-E61 PolarHBondContact O-N 3.27Å |
| 58 | L | 98.8 | Very high | 98.7 | Very high | 84 Ų | 84 | 102.7 Ų | 102.7 | 44% | 0.44 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.6 | -32.8 | 179.5 | -68.2 | 172.3 | 0 | 0 | 0 | 112.8 | E54 K62 | E54-L58 HydrophobicContact CG-CD1 3.91Å; E54-L58 HydrophobicContact CG-CG 4.31Å; E54-L58 WeakPolarHBondContact O-CB 3.36Å; E54-L58 WeakPolarHBondContact O-CG 3.46Å; E54-L58 PolarHBondContact O-N 3.47Å; E54-L58 WeakPolarHBondContact OE1-CG 3.35Å; L58-K62 WeakPolarHBondContact O-CB 3.44Å; L58-K62 PolarHBondContact O-N 2.91Å |
| 59 | K | 98.8 | Very high | 98.7 | Very high | 143 Ų | 143 | 104.9 Ų | 104.9 | 62% | 0.622 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.5 | -40 | 173 | -80.7 | 172.4 | 179.9 | 178.7 | 0 | 112.4 | I55 I56 R57 S63 | I55-K59 HydrophobicContact CG2-CD 4.15Å; I55-K59 WeakPolarHBondContact O-CB 3.32Å; I55-K59 WeakPolarHBondContact O-CD 3.47Å; I55-K59 WeakPolarHBondContact O-CG 3.43Å; I55-K59 PolarHBondContact O-N 3.31Å; I56-K59 PolarHBondContact O-N 2.94Å; R57-K59 VanDerWaalsContact C-N 3.27Å; R57-K59 PolarHBondContact O-N 3.33Å; K59-S63 PolarHBondContact O-N 3.01Å; K59-S63 VanDerWaalsContact O-N 3.15Å |
| 60 | Q | 98.8 | Very high | 98.7 | Very high | 129 Ų | 129 | 105.8 Ų | 105.8 | 60% | 0.603 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.9 | -46.1 | 177 | -69.3 | 169.2 | -10.9 | 0 | 0 | 111.1 | I56 R57 S63 C64 | I56-Q60 WeakPolarHBondContact O-CG 3.28Å; I56-Q60 PolarHBondContact O-N 2.88Å; I56-Q60 VanDerWaalsContact O-N 3.08Å; R57-Q60 WeakPolarHBondContact O-CB 3.48Å; R57-Q60 PolarHBondContact O-N 3.49Å; Q60-S63 WeakPolarHBondContact O-CB 3.46Å; Q60-S63 PolarHBondContact O-N 2.83Å; Q60-S63 VanDerWaalsContact O-N 3.15Å; Q60-C64 PolarHBondContact O-N 2.9Å |
| 61 | E | 98.6 | Very high | 98.7 | Very high | 109 Ų | 109 | 106.8 Ų | 106.8 | 51% | 0.509 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.5 | -47.9 | 175.5 | -175.2 | -179.3 | -179 | 0 | 0 | 111.5 | R57 S63 C64 L65 | R57-E61 PolarHBondContact O-N 3.27Å; E61-S63 PolarHBondContact O-N 3.35Å; E61-C64 WeakPolarHBondContact O-CB 3.46Å; E61-C64 PolarHBondContact O-N 3.33Å; E61-C64 VanDerWaalsContact O-N 3.08Å; E61-L65 HydrophobicContact CG-CD1 3.96Å; E61-L65 HydrophobicContact CG-CG 4.34Å; E61-L65 WeakPolarHBondContact O-CG 3.42Å; E61-L65 PolarHBondContact O-N 3.2Å |
| 62 | K | 98.6 | Very high | 98.7 | Very high | 161 Ų | 161 | 105.1 Ų | 105.1 | 70% | 0.7 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -55.2 | -39.5 | 174.6 | -179.7 | -176.9 | 174.9 | -176.3 | 0 | 112.4 | L58 H66 | L58-K62 WeakPolarHBondContact O-CB 3.44Å; L58-K62 PolarHBondContact O-N 2.91Å; K62-H66 WeakPolarHBondContact O-CB 3.21Å; K62-H66 PolarHBondContact O-N 2.85Å; K62-H66 VanDerWaalsContact O-N 3.08Å |
| 63 | S | 98.7 | Very high | 98.7 | Very high | 65 Ų | 65 | 102.6 Ų | 102.6 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.9 | -46.3 | 176.3 | -161.6 | 0 | 0 | 0 | 0 | 111.2 | K59 Q60 E61 L65 H66 D67 | K59-S63 PolarHBondContact O-N 3.01Å; K59-S63 VanDerWaalsContact O-N 3.15Å; Q60-S63 WeakPolarHBondContact O-CB 3.46Å; Q60-S63 PolarHBondContact O-N 2.83Å; Q60-S63 VanDerWaalsContact O-N 3.15Å; E61-S63 PolarHBondContact O-N 3.35Å; S63-L65 PolarHBondContact O-N 2.98Å; S63-H66 WeakPolarHBondContact O-CB 3.48Å; S63-H66 PolarHBondContact O-N 3.05Å; S63-D67 PolarHBondContact O-N 2.95Å |
| 64 | C | 98.6 | Very high | 98.7 | Very high | 81 Ų | 81 | 100.2 Ų | 100.2 | 55% | 0.547 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 179.6 | -171.6 | 0 | 0 | 0 | 0 | 112.2 | Q60 E61 H66 D67 E68 | Q60-C64 PolarHBondContact O-N 2.9Å; E61-C64 WeakPolarHBondContact O-CB 3.46Å; E61-C64 PolarHBondContact O-N 3.33Å; E61-C64 VanDerWaalsContact O-N 3.08Å; C64-H66 VanDerWaalsContact C-N 3.29Å; C64-H66 PolarHBondContact O-N 2.87Å; C64-D67 PolarHBondContact O-N 3.49Å; C64-E68 PolarHBondContact O-N 3.24Å |
| 65 | L | 98.7 | Very high | 98.7 | Very high | 91 Ų | 91 | 102.7 Ų | 102.7 | 48% | 0.476 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.1 | -31.8 | 176 | -67.4 | 173.5 | 0 | 0 | 0 | 112.6 | E61 S63 L69 | E61-L65 HydrophobicContact CG-CD1 3.96Å; E61-L65 HydrophobicContact CG-CG 4.34Å; E61-L65 WeakPolarHBondContact O-CG 3.42Å; E61-L65 PolarHBondContact O-N 3.2Å; S63-L65 PolarHBondContact O-N 2.98Å; L65-L69 WeakPolarHBondContact O-CB 3.37Å; L65-L69 PolarHBondContact O-N 3.28Å |
| 66 | H | 98.7 | Very high | 98.6 | Very high | 118 Ų | 118 | 102.5 Ų | 102.5 | 55% | 0.546 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67 | -43.7 | 174.4 | -176 | 64.5 | 0 | 0 | 0 | 111.7 | K62 S63 C64 L69 L70 | K62-H66 WeakPolarHBondContact O-CB 3.21Å; K62-H66 PolarHBondContact O-N 2.85Å; K62-H66 VanDerWaalsContact O-N 3.08Å; S63-H66 WeakPolarHBondContact O-CB 3.48Å; S63-H66 PolarHBondContact O-N 3.05Å; C64-H66 VanDerWaalsContact C-N 3.29Å; C64-H66 PolarHBondContact O-N 2.87Å; H66-L69 PolarHBondContact O-N 3.45Å; H66-L70 WeakPolarHBondContact O-CB 3.37Å; H66-L70 PolarHBondContact O-N 3.07Å |
| 67 | D | 98.5 | Very high | 98.6 | Very high | 73 Ų | 73 | 102.8 Ų | 102.8 | 39% | 0.39 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65 | -41.8 | 176.1 | -63.9 | -29.7 | 0 | 0 | 0 | 111.3 | S63 C64 L69 L70 F71 | S63-D67 PolarHBondContact O-N 2.95Å; C64-D67 PolarHBondContact O-N 3.49Å; D67-L69 PolarHBondContact O-N 3.29Å; D67-L70 WeakPolarHBondContact O-CB 3.34Å; D67-L70 PolarHBondContact O-N 2.65Å; D67-F71 HydrophobicContact CB-CE2 4.26Å; D67-F71 WeakPolarHBondContact O-CD2 3.2Å; D67-F71 WeakPolarHBondContact O-CG 3.35Å; D67-F71 PolarHBondContact O-N 2.9Å |
| 68 | E | 98.4 | Very high | 98.6 | Very high | 116 Ų | 116 | 103.5 Ų | 103.5 | 54% | 0.542 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.7 | -41 | 175.4 | -177 | 173.1 | -170.8 | 0 | 0 | 112.7 | C64 F71 T72 | C64-E68 PolarHBondContact O-N 3.24Å; E68-F71 PolarHBondContact O-N 3.47Å; E68-T72 WeakPolarHBondContact O-CB 3.21Å; E68-T72 PolarHBondContact O-N 2.78Å; E68-T72 PolarHBondContact O-OG1 3.26Å |
| 69 | L | 98.6 | Very high | 98.6 | Very high | 108 Ų | 108 | 104.4 Ų | 104.4 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.9 | -44.4 | 174.3 | -178.7 | 62.2 | 0 | 0 | 0 | 111.1 | L65 H66 D67 F71 T72 V73 | L65-L69 WeakPolarHBondContact O-CB 3.37Å; L65-L69 PolarHBondContact O-N 3.28Å; H66-L69 PolarHBondContact O-N 3.45Å; D67-L69 PolarHBondContact O-N 3.29Å; L69-F71 PolarHBondContact O-N 3.14Å; L69-T72 PolarHBondContact O-N 3.33Å; L69-T72 VanDerWaalsContact O-N 3.12Å; L69-V73 WeakPolarHBondContact O-CG2 3.2Å; L69-V73 PolarHBondContact O-N 3.39Å |
| 70 | L | 98.6 | Very high | 98.6 | Very high | 101 Ų | 101 | 101.6 Ų | 101.6 | 53% | 0.529 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59 | -47.4 | 176.7 | -177.8 | 67.6 | 0 | 0 | 0 | 111.5 | H66 D67 T72 V73 E74 | H66-L70 WeakPolarHBondContact O-CB 3.37Å; H66-L70 PolarHBondContact O-N 3.07Å; D67-L70 WeakPolarHBondContact O-CB 3.34Å; D67-L70 PolarHBondContact O-N 2.65Å; L70-T72 VanDerWaalsContact C-N 3.26Å; L70-T72 PolarHBondContact O-N 3.42Å; L70-V73 PolarHBondContact O-N 2.94Å; L70-E74 PolarHBondContact O-N 3.29Å |
| 71 | F | 98.6 | Very high | 98.6 | Very high | 140 Ų | 140 | 99.9 Ų | 99.9 | 61% | 0.614 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.7 | -31.3 | 175.4 | -69.1 | -52.9 | 0 | 0 | 0 | 112.7 | D67 E68 L69 R75 | D67-F71 HydrophobicContact CB-CE2 4.26Å; D67-F71 WeakPolarHBondContact O-CD2 3.2Å; D67-F71 WeakPolarHBondContact O-CG 3.35Å; D67-F71 PolarHBondContact O-N 2.9Å; E68-F71 PolarHBondContact O-N 3.47Å; L69-F71 PolarHBondContact O-N 3.14Å; F71-R75 WeakPolarHBondContact O-CB 3.38Å; F71-R75 PolarHBondContact O-N 3.03Å |
| 72 | T | 98.5 | Very high | 98.6 | Very high | 53 Ų | 53 | 100.3 Ų | 100.3 | 33% | 0.325 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -73 | -41.2 | 178 | -64.5 | 0 | 0 | 0 | 0 | 112.1 | E68 L69 L70 R75 E76 | E68-T72 WeakPolarHBondContact O-CB 3.21Å; E68-T72 PolarHBondContact O-N 2.78Å; E68-T72 PolarHBondContact O-OG1 3.26Å; L69-T72 PolarHBondContact O-N 3.33Å; L69-T72 VanDerWaalsContact O-N 3.12Å; L70-T72 VanDerWaalsContact C-N 3.26Å; L70-T72 PolarHBondContact O-N 3.42Å; T72-R75 WeakPolarHBondContact O-CB 3.38Å; T72-R75 PolarHBondContact O-N 3.4Å; T72-R75 PolarHBondContact OG1-NH1 3.14Å; T72-E76 PolarHBondContact O-N 2.92Å |
| 73 | V | 98.7 | Very high | 98.6 | Very high | 94 Ų | 94 | 96.7 Ų | 96.7 | 57% | 0.57 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.1 | -48.2 | 172.7 | 172 | 0 | 0 | 0 | 0 | 111.1 | L69 L70 R75 E76 K77 | L69-V73 WeakPolarHBondContact O-CG2 3.2Å; L69-V73 PolarHBondContact O-N 3.39Å; L70-V73 PolarHBondContact O-N 2.94Å; V73-R75 VanDerWaalsContact C-N 3.3Å; V73-R75 PolarHBondContact O-N 3.41Å; V73-E76 PolarHBondContact O-N 3.25Å; V73-K77 PolarHBondContact O-N 2.89Å |
| 74 | E | 98.6 | Very high | 98.6 | Very high | 59 Ų | 59 | 98 Ų | 98 | 28% | 0.276 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.9 | -28.4 | 179.2 | -178.9 | 65.6 | -165.8 | 0 | 0 | 112.2 | L70 K77 R78 | L70-E74 PolarHBondContact O-N 3.29Å; E74-K77 IonicContact OE1-NZ 3.69Å; E74-K77 WeakPolarHBondContact OE2-CD 3.4Å; E74-K77 IonicContact OE2-NZ 3.14Å; E74-K77 PolarHBondContact OE2-NZ 3.42Å; E74-K77 VanDerWaalsContact OE2-NZ 3.14Å; E74-R78 VanDerWaalsContact CG-CZ 3.48Å; E74-R78 WeakPolarHBondContact O-CG 3.44Å; E74-R78 PolarHBondContact O-N 3.06Å; E74-R78 IonicContact OE1-CZ 2.62Å; E74-R78 VanDerWaalsContact OE1-CZ 3.28Å; E74-R78 IonicContact OE1-NE 3.22Å; E74-R78 IonicContact OE1-NH2 3.25Å; E74-R78 PolarHBondContact OE1-NH2 3.18Å |
| 75 | R | 98.6 | Very high | 98.6 | Very high | 130 Ų | 130 | 98.5 Ų | 98.5 | 49% | 0.491 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 170.1 | -173.8 | -167.6 | -59.5 | 118.7 | -0.1 | 111.3 | F71 T72 V73 R78 K79 | F71-R75 WeakPolarHBondContact O-CB 3.38Å; F71-R75 PolarHBondContact O-N 3.03Å; T72-R75 WeakPolarHBondContact O-CB 3.38Å; T72-R75 PolarHBondContact O-N 3.4Å; T72-R75 PolarHBondContact OG1-NH1 3.14Å; V73-R75 VanDerWaalsContact C-N 3.3Å; V73-R75 PolarHBondContact O-N 3.41Å; R75-R78 PolarHBondContact O-N 3.32Å; R75-K79 PolarHBondContact O-N 3.18Å |
| 76 | E | 98.4 | Very high | 98.7 | Very high | 86 Ų | 86 | 96.7 Ų | 96.7 | 40% | 0.402 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.6 | -46.7 | -179.8 | -155.4 | 61.3 | -149.5 | 0 | 0 | 111.4 | T72 V73 R78 K79 D80 | T72-E76 PolarHBondContact O-N 2.92Å; V73-E76 PolarHBondContact O-N 3.25Å; E76-R78 PolarHBondContact O-N 2.93Å; E76-K79 WeakPolarHBondContact O-CA 3.33Å; E76-K79 VanDerWaalsContact O-CB 3.3Å; E76-K79 WeakPolarHBondContact O-CB 3.44Å; E76-K79 PolarHBondContact O-N 3.04Å; E76-K79 WeakPolarHBondContact OE1-CD 3.41Å; E76-K79 IonicContact OE1-NZ 3.29Å; E76-K79 PolarHBondContact OE1-NZ 2.69Å; E76-K79 WeakPolarHBondContact OE2-CE 3.46Å; E76-K79 IonicContact OE2-NZ 2.65Å; E76-K79 PolarHBondContact OE2-NZ 3.44Å; E76-D80 PolarHBondContact O-N 3.49Å |
| 77 | K | 98.7 | Very high | 98.7 | Very high | 98 Ų | 98 | 96.8 Ų | 96.8 | 43% | 0.426 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -51.7 | -42.2 | 173.8 | 179.1 | -174.8 | 158.5 | -151.1 | 0 | 112.7 | V73 E74 K79 D80 E81 | V73-K77 PolarHBondContact O-N 2.89Å; E74-K77 IonicContact OE1-NZ 3.69Å; E74-K77 WeakPolarHBondContact OE2-CD 3.4Å; E74-K77 IonicContact OE2-NZ 3.14Å; E74-K77 PolarHBondContact OE2-NZ 3.42Å; E74-K77 VanDerWaalsContact OE2-NZ 3.14Å; K77-K79 VanDerWaalsContact C-N 3.34Å; K77-K79 PolarHBondContact O-N 3.26Å; K77-D80 PolarHBondContact O-N 3.11Å; K77-E81 WeakPolarHBondContact CE-OE1 3.46Å; K77-E81 WeakPolarHBondContact O-CG 3.02Å; K77-E81 PolarHBondContact O-N 2.71Å |
| 78 | R | 98.7 | Very high | 98.7 | Very high | 134 Ų | 134 | 96.1 Ų | 96.1 | 51% | 0.506 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.3 | -30.7 | 175.4 | -72.6 | -179.3 | -171.5 | 120.7 | 11.6 | 113.5 | E74 R75 E76 L82 | E74-R78 VanDerWaalsContact CG-CZ 3.48Å; E74-R78 WeakPolarHBondContact O-CG 3.44Å; E74-R78 PolarHBondContact O-N 3.06Å; E74-R78 IonicContact OE1-CZ 2.62Å; E74-R78 VanDerWaalsContact OE1-CZ 3.28Å; E74-R78 IonicContact OE1-NE 3.22Å; E74-R78 IonicContact OE1-NH2 3.25Å; E74-R78 PolarHBondContact OE1-NH2 3.18Å; R75-R78 PolarHBondContact O-N 3.32Å; E76-R78 PolarHBondContact O-N 2.93Å; R78-L82 WeakPolarHBondContact O-CB 3.35Å; R78-L82 VanDerWaalsContact O-CG 3.26Å; R78-L82 WeakPolarHBondContact O-CG 3.48Å; R78-L82 PolarHBondContact O-N 2.88Å; R78-L82 VanDerWaalsContact O-N 3.07Å |
| 79 | K | 98.8 | Very high | 98.7 | Very high | 104 Ų | 104 | 96.2 Ų | 96.2 | 45% | 0.452 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.9 | -42.4 | 171.8 | -61.1 | 177.6 | -165.4 | 162.7 | 0 | 111 | R75 E76 K77 L82 L83 | R75-K79 PolarHBondContact O-N 3.18Å; E76-K79 WeakPolarHBondContact O-CA 3.33Å; E76-K79 VanDerWaalsContact O-CB 3.3Å; E76-K79 WeakPolarHBondContact O-CB 3.44Å; E76-K79 PolarHBondContact O-N 3.04Å; E76-K79 WeakPolarHBondContact OE1-CD 3.41Å; E76-K79 IonicContact OE1-NZ 3.29Å; E76-K79 PolarHBondContact OE1-NZ 2.69Å; E76-K79 WeakPolarHBondContact OE2-CE 3.46Å; E76-K79 IonicContact OE2-NZ 2.65Å; E76-K79 PolarHBondContact OE2-NZ 3.44Å; K77-K79 VanDerWaalsContact C-N 3.34Å; K77-K79 PolarHBondContact O-N 3.26Å; K79-L82 PolarHBondContact O-N 2.93Å; K79-L83 WeakPolarHBondContact O-CB 3.42Å; K79-L83 PolarHBondContact O-N 3.36Å |
| 80 | D | 98.7 | Very high | 98.7 | Very high | 84 Ų | 84 | 96.2 Ų | 96.2 | 45% | 0.449 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 176.8 | -72.7 | -33.8 | 0 | 0 | 0 | 111.7 | E76 K77 L82 L83 N84 | E76-D80 PolarHBondContact O-N 3.49Å; K77-D80 PolarHBondContact O-N 3.11Å; D80-L82 PolarHBondContact O-N 3.4Å; D80-L83 PolarHBondContact O-N 3.12Å; D80-N84 WeakPolarHBondContact O-CB 3.38Å; D80-N84 PolarHBondContact O-N 3.49Å; D80-N84 PolarHBondContact O-ND2 3.25Å; D80-N84 VanDerWaalsContact O-ND2 3.15Å |
| 81 | E | 98.8 | Very high | 98.7 | Very high | 92 Ų | 92 | 97.6 Ų | 97.6 | 43% | 0.43 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -57.7 | -47.3 | 172.9 | -72.9 | 169.8 | -175.8 | 0 | 0 | 111.7 | K77 L83 N84 I85 | K77-E81 WeakPolarHBondContact CE-OE1 3.46Å; K77-E81 WeakPolarHBondContact O-CG 3.02Å; K77-E81 PolarHBondContact O-N 2.71Å; E81-L83 PolarHBondContact O-N 2.98Å; E81-N84 PolarHBondContact O-N 2.92Å; E81-I85 WeakPolarHBondContact O-CG1 3.21Å; E81-I85 PolarHBondContact O-N 2.96Å |
| 82 | L | 98.9 | Very high | 98.7 | Very high | 118 Ų | 118 | 97 Ų | 97 | 62% | 0.618 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.8 | -40.8 | 175.7 | -73.6 | 170.4 | 0 | 0 | 0 | 112.7 | R78 K79 D80 I85 A86 | R78-L82 WeakPolarHBondContact O-CB 3.35Å; R78-L82 VanDerWaalsContact O-CG 3.26Å; R78-L82 WeakPolarHBondContact O-CG 3.48Å; R78-L82 PolarHBondContact O-N 2.88Å; R78-L82 VanDerWaalsContact O-N 3.07Å; K79-L82 PolarHBondContact O-N 2.93Å; D80-L82 PolarHBondContact O-N 3.4Å; L82-I85 PolarHBondContact O-N 3.46Å; L82-A86 WeakPolarHBondContact O-CB 3.37Å; L82-A86 PolarHBondContact O-N 3.38Å |
| 83 | L | 98.8 | Very high | 98.7 | Very high | 86 Ų | 86 | 97.7 Ų | 97.7 | 45% | 0.45 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.7 | -39.9 | 177.1 | -179.2 | 62.2 | 0 | 0 | 0 | 111.4 | K79 D80 E81 A86 K87 | K79-L83 WeakPolarHBondContact O-CB 3.42Å; K79-L83 PolarHBondContact O-N 3.36Å; D80-L83 PolarHBondContact O-N 3.12Å; E81-L83 PolarHBondContact O-N 2.98Å; L83-A86 PolarHBondContact O-N 3.03Å; L83-K87 HydrophobicContact CG-CD 4.44Å; L83-K87 WeakPolarHBondContact O-CG 3.35Å; L83-K87 PolarHBondContact O-N 3.02Å |
| 84 | N | 98.7 | Very high | 98.7 | Very high | 93 Ų | 93 | 97.3 Ų | 97.3 | 50% | 0.497 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.2 | -40 | 175.9 | -70.5 | -29.2 | 0 | 0 | 0 | 111.9 | D80 E81 A86 K87 S88 | D80-N84 WeakPolarHBondContact O-CB 3.38Å; D80-N84 PolarHBondContact O-N 3.49Å; D80-N84 PolarHBondContact O-ND2 3.25Å; D80-N84 VanDerWaalsContact O-ND2 3.15Å; E81-N84 PolarHBondContact O-N 2.92Å; N84-A86 VanDerWaalsContact C-N 3.33Å; N84-A86 PolarHBondContact O-N 3.49Å; N84-K87 PolarHBondContact O-N 3.07Å; N84-S88 WeakPolarHBondContact O-CB 3.25Å; N84-S88 PolarHBondContact O-N 3.28Å |
| 85 | I | 98.8 | Very high | 98.7 | Very high | 91 Ų | 91 | 97.4 Ų | 97.4 | 47% | 0.467 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 172 | -68.5 | 164.8 | 0 | 0 | 0 | 111 | E81 L82 K89 | E81-I85 WeakPolarHBondContact O-CG1 3.21Å; E81-I85 PolarHBondContact O-N 2.96Å; L82-I85 PolarHBondContact O-N 3.46Å; I85-K89 HydrophobicContact CG2-CD 4.24Å; I85-K89 WeakPolarHBondContact O-CG 3.39Å; I85-K89 PolarHBondContact O-N 3.06Å |
| 86 | A | 98.8 | Very high | 98.7 | Very high | 53 Ų | 53 | 96.2 Ų | 96.2 | 44% | 0.438 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.7 | -45.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | L82 L83 N84 K89 Q90 | L82-A86 WeakPolarHBondContact O-CB 3.37Å; L82-A86 PolarHBondContact O-N 3.38Å; L83-A86 PolarHBondContact O-N 3.03Å; N84-A86 VanDerWaalsContact C-N 3.33Å; N84-A86 PolarHBondContact O-N 3.49Å; A86-K89 PolarHBondContact O-N 2.89Å; A86-Q90 PolarHBondContact O-N 3.37Å |
| 87 | K | 98.8 | Very high | 98.7 | Very high | 120 Ų | 120 | 95.6 Ų | 95.6 | 52% | 0.522 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.6 | -48.4 | 174.3 | -73.6 | 170.4 | -179.5 | 170.8 | 0 | 111.9 | L83 N84 K89 Q90 E91 | L83-K87 HydrophobicContact CG-CD 4.44Å; L83-K87 WeakPolarHBondContact O-CG 3.35Å; L83-K87 PolarHBondContact O-N 3.02Å; N84-K87 PolarHBondContact O-N 3.07Å; K87-K89 VanDerWaalsContact C-N 3.33Å; K87-K89 PolarHBondContact O-N 2.9Å; K87-Q90 WeakPolarHBondContact O-CB 3.35Å; K87-Q90 PolarHBondContact O-N 3.26Å; K87-Q90 VanDerWaalsContact O-N 3.15Å; K87-E91 WeakPolarHBondContact O-CB 3.37Å; K87-E91 PolarHBondContact O-N 2.82Å |
| 88 | S | 98.7 | Very high | 98.7 | Very high | 59 Ų | 59 | 96.3 Ų | 96.3 | 41% | 0.413 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.6 | -36.5 | 178.2 | 177.5 | 0 | 0 | 0 | 0 | 113 | N84 R92 | N84-S88 WeakPolarHBondContact O-CB 3.25Å; N84-S88 PolarHBondContact O-N 3.28Å; S88-R92 PolarHBondContact O-N 3.06Å |
| 89 | K | 98.9 | Very high | 98.7 | Very high | 118 Ų | 118 | 94 Ų | 94 | 51% | 0.513 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.8 | -48.2 | 171.2 | -76.5 | 172.9 | 178.3 | -178.3 | 0 | 111.4 | I85 A86 K87 E91 R92 T93 | I85-K89 HydrophobicContact CG2-CD 4.24Å; I85-K89 WeakPolarHBondContact O-CG 3.39Å; I85-K89 PolarHBondContact O-N 3.06Å; A86-K89 PolarHBondContact O-N 2.89Å; K87-K89 VanDerWaalsContact C-N 3.33Å; K87-K89 PolarHBondContact O-N 2.9Å; K89-E91 VanDerWaalsContact C-N 3.34Å; K89-E91 PolarHBondContact O-N 2.8Å; K89-R92 PolarHBondContact O-N 3.28Å; K89-T93 PolarHBondContact O-N 3.41Å; K89-T93 VanDerWaalsContact O-N 3.13Å; K89-T93 PolarHBondContact O-OG1 2.9Å |
| 90 | Q | 98.7 | Very high | 98.7 | Very high | 108 Ų | 108 | 94.8 Ų | 94.8 | 51% | 0.505 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61 | -41.3 | 178.8 | -174.3 | 63.2 | 51.1 | 0 | 0 | 112.2 | A86 K87 T93 N94 | A86-Q90 PolarHBondContact O-N 3.37Å; K87-Q90 WeakPolarHBondContact O-CB 3.35Å; K87-Q90 PolarHBondContact O-N 3.26Å; K87-Q90 VanDerWaalsContact O-N 3.15Å; Q90-T93 PolarHBondContact O-N 2.94Å; Q90-N94 PolarHBondContact NE2-OD1 3.45Å; Q90-N94 WeakPolarHBondContact O-CB 3.44Å; Q90-N94 PolarHBondContact O-N 2.78Å; Q90-N94 PolarHBondContact O-OD1 3.34Å |
| 91 | E | 98.8 | Very high | 98.7 | Very high | 129 Ų | 129 | 99 Ų | 99 | 60% | 0.603 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.7 | -42.8 | 179 | -175.5 | 173.4 | -157.7 | 0 | 0 | 112.5 | K87 K89 N94 S95 | K87-E91 WeakPolarHBondContact O-CB 3.37Å; K87-E91 PolarHBondContact O-N 2.82Å; K89-E91 VanDerWaalsContact C-N 3.34Å; K89-E91 PolarHBondContact O-N 2.8Å; E91-N94 PolarHBondContact O-N 3.49Å; E91-S95 WeakPolarHBondContact O-CB 3.2Å; E91-S95 PolarHBondContact O-N 3.16Å; E91-S95 PolarHBondContact O-OG 3.08Å |
| 92 | R | 98.6 | Very high | 98.7 | Very high | 127 Ų | 127 | 100.5 Ų | 100.5 | 48% | 0.479 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.8 | -48.4 | 173.9 | -73.5 | -173.3 | -68.8 | 101.1 | -6.8 | 111.9 | S88 K89 N94 S95 E96 | S88-R92 PolarHBondContact O-N 3.06Å; K89-R92 PolarHBondContact O-N 3.28Å; R92-N94 VanDerWaalsContact C-N 3.32Å; R92-N94 PolarHBondContact O-N 3.18Å; R92-S95 WeakPolarHBondContact O-CB 3.33Å; R92-S95 PolarHBondContact O-N 2.87Å; R92-S95 VanDerWaalsContact O-N 3.08Å; R92-E96 WeakPolarHBondContact O-CG 3.39Å; R92-E96 PolarHBondContact O-N 2.86Å |
| 93 | T | 98.7 | Very high | 98.7 | Very high | 69 Ų | 69 | 99 Ų | 99 | 42% | 0.423 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.8 | -39 | 177 | -59.5 | 0 | 0 | 0 | 0 | 112.2 | K89 Q90 S95 L97 | K89-T93 PolarHBondContact O-N 3.41Å; K89-T93 VanDerWaalsContact O-N 3.13Å; K89-T93 PolarHBondContact O-OG1 2.9Å; Q90-T93 PolarHBondContact O-N 2.94Å; T93-S95 VanDerWaalsContact C-N 3.32Å; T93-S95 PolarHBondContact O-N 3.09Å; T93-L97 WeakPolarHBondContact O-CB 3.5Å; T93-L97 PolarHBondContact O-N 2.98Å |
| 94 | N | 98.6 | Very high | 98.7 | Very high | 86 Ų | 86 | 101.9 Ų | 101.9 | 46% | 0.46 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.9 | -39.8 | 173.4 | -75 | -9.8 | 0 | 0 | 0 | 112 | Q90 E91 R92 H98 | Q90-N94 PolarHBondContact NE2-OD1 3.45Å; Q90-N94 WeakPolarHBondContact O-CB 3.44Å; Q90-N94 PolarHBondContact O-N 2.78Å; Q90-N94 PolarHBondContact O-OD1 3.34Å; E91-N94 PolarHBondContact O-N 3.49Å; R92-N94 VanDerWaalsContact C-N 3.32Å; R92-N94 PolarHBondContact O-N 3.18Å; N94-H98 VanDerWaalsContact O-CB 3.32Å; N94-H98 WeakPolarHBondContact O-CB 3.45Å; N94-H98 PolarHBondContact O-N 2.89Å |
| 95 | S | 98.7 | Very high | 98.7 | Very high | 60 Ų | 60 | 101.8 Ų | 101.8 | 42% | 0.42 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.8 | -45.8 | 179.6 | -55.7 | 0 | 0 | 0 | 0 | 111.7 | E91 R92 T93 L97 H98 N99 | E91-S95 WeakPolarHBondContact O-CB 3.2Å; E91-S95 PolarHBondContact O-N 3.16Å; E91-S95 PolarHBondContact O-OG 3.08Å; R92-S95 WeakPolarHBondContact O-CB 3.33Å; R92-S95 PolarHBondContact O-N 2.87Å; R92-S95 VanDerWaalsContact O-N 3.08Å; T93-S95 VanDerWaalsContact C-N 3.32Å; T93-S95 PolarHBondContact O-N 3.09Å; S95-L97 VanDerWaalsContact C-N 3.33Å; S95-L97 PolarHBondContact O-N 3.4Å; S95-H98 PolarHBondContact O-N 3.26Å; S95-N99 PolarHBondContact O-N 3.2Å; S95-N99 PolarHBondContact O-ND2 3.45Å |
| 96 | E | 98.7 | Very high | 98.7 | Very high | 106 Ų | 106 | 103.9 Ų | 103.9 | 50% | 0.495 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58 | -45.5 | 173.5 | -70.3 | 161.2 | -159.4 | 0 | 0 | 111.2 | R92 N99 L100 | R92-E96 WeakPolarHBondContact O-CG 3.39Å; R92-E96 PolarHBondContact O-N 2.86Å; E96-N99 PolarHBondContact O-N 3.03Å; E96-L100 WeakPolarHBondContact O-CG 3.42Å; E96-L100 PolarHBondContact O-N 3.17Å |
| 97 | L | 98.8 | Very high | 98.7 | Very high | 73 Ų | 73 | 106.7 Ų | 106.7 | 38% | 0.382 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.2 | -37.1 | 178.2 | -173 | 154.6 | 0 | 0 | 0 | 112.3 | T93 S95 L100 R101 | T93-L97 WeakPolarHBondContact O-CB 3.5Å; T93-L97 PolarHBondContact O-N 2.98Å; S95-L97 VanDerWaalsContact C-N 3.33Å; S95-L97 PolarHBondContact O-N 3.4Å; L97-L100 PolarHBondContact O-N 3.29Å; L97-R101 HydrophobicContact CD2-CG 4.4Å; L97-R101 WeakPolarHBondContact O-CG 3.46Å; L97-R101 PolarHBondContact O-N 3.25Å |
| 98 | H | 98.7 | Very high | 98.6 | Very high | 112 Ų | 112 | 105.3 Ų | 105.3 | 52% | 0.519 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 171.9 | 179.3 | 79.8 | 0 | 0 | 0 | 111.5 | N94 S95 L100 R101 Q102 | N94-H98 VanDerWaalsContact O-CB 3.32Å; N94-H98 WeakPolarHBondContact O-CB 3.45Å; N94-H98 PolarHBondContact O-N 2.89Å; S95-H98 PolarHBondContact O-N 3.26Å; H98-L100 PolarHBondContact O-N 3.28Å; H98-R101 WeakPolarHBondContact O-CB 3.24Å; H98-R101 PolarHBondContact O-N 2.92Å; H98-Q102 PolarHBondContact O-N 2.95Å |
| 99 | N | 98.6 | Very high | 98.6 | Very high | 86 Ų | 86 | 105.6 Ų | 105.6 | 46% | 0.46 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 177 | -67.4 | -19.2 | 0 | 0 | 0 | 111.7 | S95 E96 R101 Q102 I103 | S95-N99 PolarHBondContact O-N 3.2Å; S95-N99 PolarHBondContact O-ND2 3.45Å; E96-N99 PolarHBondContact O-N 3.03Å; N99-R101 PolarHBondContact O-N 2.87Å; N99-Q102 PolarHBondContact O-N 2.99Å; N99-I103 WeakPolarHBondContact O-CG1 3.35Å; N99-I103 PolarHBondContact O-N 3.48Å |
| 100 | L | 98.8 | Very high | 98.6 | Very high | 121 Ų | 121 | 103.9 Ų | 103.9 | 63% | 0.634 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.5 | -41 | 175.1 | -72.8 | 171.9 | 0 | 0 | 0 | 112.5 | E96 L97 H98 I103 Y104 | E96-L100 WeakPolarHBondContact O-CG 3.42Å; E96-L100 PolarHBondContact O-N 3.17Å; L97-L100 PolarHBondContact O-N 3.29Å; H98-L100 PolarHBondContact O-N 3.28Å; L100-I103 PolarHBondContact O-N 2.84Å; L100-Y104 WeakPolarHBondContact O-CB 3.42Å; L100-Y104 PolarHBondContact O-N 3.15Å |
| 101 | R | 98.6 | Very high | 98.5 | Very high | 171 Ų | 171 | 103.9 Ų | 103.9 | 65% | 0.645 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.5 | -41.5 | 173.5 | -75.1 | 175.7 | 174.8 | 170.3 | 0.6 | 112 | L97 H98 N99 Y104 V105 | L97-R101 HydrophobicContact CD2-CG 4.4Å; L97-R101 WeakPolarHBondContact O-CG 3.46Å; L97-R101 PolarHBondContact O-N 3.25Å; H98-R101 WeakPolarHBondContact O-CB 3.24Å; H98-R101 PolarHBondContact O-N 2.92Å; N99-R101 PolarHBondContact O-N 2.87Å; R101-Y104 PolarHBondContact O-N 3.15Å; R101-V105 WeakPolarHBondContact O-CG2 3.4Å; R101-V105 PolarHBondContact O-N 2.87Å |
| 102 | Q | 98.6 | Very high | 98.5 | Very high | 124 Ų | 124 | 103.6 Ų | 103.6 | 58% | 0.579 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.9 | -43.6 | 177 | -171.5 | -174.9 | 91.7 | 0 | 0 | 111.6 | H98 N99 V105 K106 | H98-Q102 PolarHBondContact O-N 2.95Å; N99-Q102 PolarHBondContact O-N 2.99Å; Q102-V105 PolarHBondContact O-N 3.08Å; Q102-K106 PolarHBondContact O-N 3.49Å |
| 103 | I | 98.6 | Very high | 98.4 | Very high | 86 Ų | 86 | 104.1 Ų | 104.1 | 44% | 0.441 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.8 | -45.3 | 175 | -67.9 | 164.6 | 0 | 0 | 0 | 110.8 | N99 L100 K106 Q107 | N99-I103 WeakPolarHBondContact O-CG1 3.35Å; N99-I103 PolarHBondContact O-N 3.48Å; L100-I103 PolarHBondContact O-N 2.84Å; I103-K106 PolarHBondContact O-N 2.88Å; I103-Q107 HydrophobicContact CG2-CG 4.34Å; I103-Q107 WeakPolarHBondContact O-CG 3.47Å; I103-Q107 PolarHBondContact O-N 2.98Å |
| 104 | Y | 98.6 | Very high | 98.4 | Very high | 147 Ų | 147 | 105.6 Ų | 105.6 | 58% | 0.576 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.6 | -47.9 | 177.6 | 176.3 | -93.3 | 0 | 0 | 0 | 112.3 | L100 R101 K106 Q107 Q108 | L100-Y104 WeakPolarHBondContact O-CB 3.42Å; L100-Y104 PolarHBondContact O-N 3.15Å; R101-Y104 PolarHBondContact O-N 3.15Å; Y104-K106 VanDerWaalsContact C-N 3.3Å; Y104-K106 PolarHBondContact O-N 3.41Å; Y104-Q107 PolarHBondContact O-N 3.38Å; Y104-Q108 WeakPolarHBondContact O-CB 3.23Å; Y104-Q108 PolarHBondContact O-N 3.02Å |
| 105 | V | 98.6 | Very high | 98.3 | Very high | 92 Ų | 92 | 106 Ų | 106 | 56% | 0.558 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.3 | -41.2 | 176.8 | 169.9 | 0 | 0 | 0 | 0 | 111.2 | R101 Q102 Q108 S109 | R101-V105 WeakPolarHBondContact O-CG2 3.4Å; R101-V105 PolarHBondContact O-N 2.87Å; Q102-V105 PolarHBondContact O-N 3.08Å; V105-Q108 PolarHBondContact O-N 2.9Å; V105-S109 PolarHBondContact O-N 3.41Å |
| 106 | K | 98.4 | Very high | 98.2 | Very high | 135 Ų | 135 | 109 Ų | 109 | 59% | 0.587 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.8 | -49.8 | 175.6 | -168.2 | -163.8 | 170 | -164.7 | 0 | 111.5 | Q102 I103 Y104 Q108 S109 D110 | Q102-K106 PolarHBondContact O-N 3.49Å; I103-K106 PolarHBondContact O-N 2.88Å; Y104-K106 VanDerWaalsContact C-N 3.3Å; Y104-K106 PolarHBondContact O-N 3.41Å; K106-Q108 VanDerWaalsContact C-N 3.25Å; K106-Q108 PolarHBondContact O-N 3.04Å; K106-S109 WeakPolarHBondContact O-CB 3.48Å; K106-S109 PolarHBondContact O-N 2.92Å; K106-S109 VanDerWaalsContact O-N 3.07Å; K106-D110 WeakPolarHBondContact CE-OD2 3.43Å; K106-D110 VanDerWaalsContact O-CG 3.31Å; K106-D110 PolarHBondContact O-N 3.09Å |
| 107 | Q | 98.4 | Very high | 98 | Very high | 112 Ų | 112 | 106.9 Ų | 106.9 | 52% | 0.523 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.7 | -37.4 | 178 | -74 | 175.5 | -22.8 | 0 | 0 | 112.2 | I103 Y104 D110 L111 | I103-Q107 HydrophobicContact CG2-CG 4.34Å; I103-Q107 WeakPolarHBondContact O-CG 3.47Å; I103-Q107 PolarHBondContact O-N 2.98Å; Y104-Q107 PolarHBondContact O-N 3.38Å; Q107-D110 PolarHBondContact O-N 2.88Å; Q107-L111 WeakPolarHBondContact O-CB 3.42Å; Q107-L111 VanDerWaalsContact O-CG 3.3Å; Q107-L111 WeakPolarHBondContact O-CG 3.18Å; Q107-L111 PolarHBondContact O-N 3.46Å |
| 108 | Q | 98.2 | Very high | 97.9 | Very high | 90 Ų | 90 | 106.7 Ų | 106.7 | 42% | 0.421 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 174.5 | -171.9 | 173.8 | 17.7 | 0 | 0 | 112 | Y104 V105 K106 L111 Q112 | Y104-Q108 WeakPolarHBondContact O-CB 3.23Å; Y104-Q108 PolarHBondContact O-N 3.02Å; V105-Q108 PolarHBondContact O-N 2.9Å; K106-Q108 VanDerWaalsContact C-N 3.25Å; K106-Q108 PolarHBondContact O-N 3.04Å; Q108-L111 PolarHBondContact O-N 2.96Å; Q108-Q112 WeakPolarHBondContact O-CG 3.37Å; Q108-Q112 PolarHBondContact O-N 3.48Å |
| 109 | S | 98.3 | Very high | 97.6 | Very high | 65 Ų | 65 | 106.7 Ų | 106.7 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 174.6 | -172.3 | 0 | 0 | 0 | 0 | 112.4 | V105 K106 L111 Q112 F113 | V105-S109 PolarHBondContact O-N 3.41Å; K106-S109 WeakPolarHBondContact O-CB 3.48Å; K106-S109 PolarHBondContact O-N 2.92Å; K106-S109 VanDerWaalsContact O-N 3.07Å; S109-L111 VanDerWaalsContact C-N 3.32Å; S109-L111 PolarHBondContact O-N 3.32Å; S109-Q112 PolarHBondContact O-N 3.31Å; S109-F113 WeakPolarHBondContact O-CB 3.33Å; S109-F113 PolarHBondContact O-N 3.27Å |
| 110 | D | 98.2 | Very high | 97.4 | Very high | 83 Ų | 83 | 105.9 Ų | 105.9 | 44% | 0.444 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.3 | -38.9 | 178.7 | -67.2 | -21.6 | 0 | 0 | 0 | 110.7 | K106 Q107 L114 | K106-D110 WeakPolarHBondContact CE-OD2 3.43Å; K106-D110 VanDerWaalsContact O-CG 3.31Å; K106-D110 PolarHBondContact O-N 3.09Å; Q107-D110 PolarHBondContact O-N 2.88Å; D110-L114 PolarHBondContact O-N 3.5Å |
| 111 | L | 98 | Very high | 97 | Very high | 108 Ų | 108 | 102.6 Ų | 102.6 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.8 | -41.6 | 173.8 | -75.5 | 169.5 | 0 | 0 | 0 | 113 | Q107 Q108 S109 F113 L114 N115 | Q107-L111 WeakPolarHBondContact O-CB 3.42Å; Q107-L111 VanDerWaalsContact O-CG 3.3Å; Q107-L111 WeakPolarHBondContact O-CG 3.18Å; Q107-L111 PolarHBondContact O-N 3.46Å; Q108-L111 PolarHBondContact O-N 2.96Å; S109-L111 VanDerWaalsContact C-N 3.32Å; S109-L111 PolarHBondContact O-N 3.32Å; L111-F113 VanDerWaalsContact C-N 3.33Å; L111-L114 PolarHBondContact O-N 3.1Å; L111-N115 PolarHBondContact O-N 3.08Å |
| 112 | Q | 97.6 | Very high | 96.7 | Very high | 123 Ų | 123 | 99.6 Ų | 99.6 | 58% | 0.575 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.6 | -42.5 | 174.8 | -76.6 | 175.2 | -25.9 | 0 | 0 | 111.5 | Q108 S109 N115 F116 | Q108-Q112 WeakPolarHBondContact O-CG 3.37Å; Q108-Q112 PolarHBondContact O-N 3.48Å; S109-Q112 PolarHBondContact O-N 3.31Å; Q112-N115 PolarHBondContact O-N 3.11Å; Q112-F116 PolarHBondContact O-N 3.05Å |
| 113 | F | 97.9 | Very high | 96.3 | Very high | 137 Ų | 137 | 99.7 Ų | 99.7 | 60% | 0.601 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.6 | -40.1 | 174.9 | 179.6 | -105.4 | 0 | 0 | 0 | 112.2 | S109 L111 N117 | S109-F113 WeakPolarHBondContact O-CB 3.33Å; S109-F113 PolarHBondContact O-N 3.27Å; L111-F113 VanDerWaalsContact C-N 3.33Å; F113-N117 WeakPolarHBondContact CD1-ND2 3.39Å; F113-N117 WeakPolarHBondContact CE1-ND2 3.45Å; F113-N117 WeakPolarHBondContact CE2-ND2 3.23Å; F113-N117 WeakPolarHBondContact CZ-ND2 3.43Å; F113-N117 PolarHBondContact O-N 2.62Å; F113-N117 VanDerWaalsContact O-N 3.08Å; F113-N117 PolarHBondContact O-ND2 3.41Å |
| 114 | L | 97.3 | Very high | 95.9 | Very high | 101 Ų | 101 | 101 Ų | 101 | 53% | 0.529 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.6 | -45.3 | 176.7 | -175.2 | 60.9 | 0 | 0 | 0 | 111.9 | D110 L111 F116 N117 V118 | D110-L114 PolarHBondContact O-N 3.5Å; L111-L114 PolarHBondContact O-N 3.1Å; L114-F116 PolarHBondContact O-N 3.04Å; L114-N117 PolarHBondContact O-N 2.97Å; L114-V118 HydrophobicContact CD1-CG2 4.49Å; L114-V118 WeakPolarHBondContact O-CG2 3.44Å; L114-V118 PolarHBondContact O-N 2.93Å |
| 115 | N | 96.3 | Very high | 95.4 | Very high | 93 Ų | 93 | 98.5 Ų | 98.5 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.4 | -48.1 | 176.1 | -73.5 | -8.5 | 0 | 0 | 0 | 111.4 | L111 Q112 N117 V118 E119 | L111-N115 PolarHBondContact O-N 3.08Å; Q112-N115 PolarHBondContact O-N 3.11Å; N115-N117 VanDerWaalsContact C-N 3.33Å; N115-N117 PolarHBondContact O-N 3Å; N115-V118 PolarHBondContact O-N 3.28Å; N115-V118 VanDerWaalsContact O-N 3.14Å; N115-E119 WeakPolarHBondContact O-CB 3.45Å; N115-E119 WeakPolarHBondContact O-CG 3.28Å; N115-E119 PolarHBondContact O-N 3.21Å |
| 116 | F | 96.6 | Very high | 94.9 | Very high | 125 Ų | 125 | 99.8 Ų | 99.8 | 55% | 0.548 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.6 | -41.2 | 177 | 176.1 | -98.5 | 0 | 0 | 0 | 112.8 | Q112 L114 N120 | Q112-F116 PolarHBondContact O-N 3.05Å; L114-F116 PolarHBondContact O-N 3.04Å; F116-N120 VanDerWaalsContact O-CB 3.26Å; F116-N120 WeakPolarHBondContact O-CB 3.49Å; F116-N120 PolarHBondContact O-N 2.89Å |
| 117 | N | 95.7 | Very high | 94.3 | Very high | 61 Ų | 61 | 98.7 Ų | 98.7 | 33% | 0.326 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.6 | -38.3 | 176.1 | -78.4 | -68.8 | 0 | 0 | 0 | 112.5 | F113 L114 N115 S121 | F113-N117 WeakPolarHBondContact CD1-ND2 3.39Å; F113-N117 WeakPolarHBondContact CE1-ND2 3.45Å; F113-N117 WeakPolarHBondContact CE2-ND2 3.23Å; F113-N117 WeakPolarHBondContact CZ-ND2 3.43Å; F113-N117 PolarHBondContact O-N 2.62Å; F113-N117 VanDerWaalsContact O-N 3.08Å; F113-N117 PolarHBondContact O-ND2 3.41Å; L114-N117 PolarHBondContact O-N 2.97Å; N115-N117 VanDerWaalsContact C-N 3.33Å; N115-N117 PolarHBondContact O-N 3Å; N117-S121 VanDerWaalsContact O-CB 3.29Å; N117-S121 WeakPolarHBondContact O-CB 3.28Å; N117-S121 PolarHBondContact O-N 3.48Å; N117-S121 PolarHBondContact O-OG 3.11Å |
| 118 | V | 95.1 | Very high | 93.6 | Very high | 69 Ų | 69 | 101.8 Ų | 101.8 | 42% | 0.418 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.1 | -51.4 | 174.9 | 170.8 | 0 | 0 | 0 | 0 | 109.8 | L114 N115 N120 S121 Q122 | L114-V118 HydrophobicContact CD1-CG2 4.49Å; L114-V118 WeakPolarHBondContact O-CG2 3.44Å; L114-V118 PolarHBondContact O-N 2.93Å; N115-V118 PolarHBondContact O-N 3.28Å; N115-V118 VanDerWaalsContact O-N 3.14Å; V118-N120 PolarHBondContact O-N 3.38Å; V118-S121 PolarHBondContact O-N 2.65Å; V118-S121 VanDerWaalsContact O-N 3.16Å; V118-S121 PolarHBondContact O-OG 3.42Å; V118-Q122 VanDerWaalsContact O-CB 3.28Å; V118-Q122 WeakPolarHBondContact O-CB 3.48Å; V118-Q122 PolarHBondContact O-N 3.2Å |
| 119 | E | 94 | Very high | 92.7 | Very high | 111 Ų | 111 | 101.6 Ų | 101.6 | 52% | 0.519 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -53.8 | -54 | 176.5 | -72.4 | 164.8 | -169.7 | 0 | 0 | 111.4 | N115 S121 Q122 E123 | N115-E119 WeakPolarHBondContact O-CB 3.45Å; N115-E119 WeakPolarHBondContact O-CG 3.28Å; N115-E119 PolarHBondContact O-N 3.21Å; E119-S121 VanDerWaalsContact C-N 3.34Å; E119-S121 PolarHBondContact O-N 3.29Å; E119-Q122 CarbonylContact O-C 3.58Å; E119-Q122 WeakPolarHBondContact O-CB 3.43Å; E119-Q122 PolarHBondContact O-N 2.7Å; E119-E123 WeakPolarHBondContact O-CG 3.31Å; E119-E123 PolarHBondContact O-N 3.35Å |
| 120 | N | 93.3 | Very high | 91.9 | Very high | 70 Ų | 70 | 102 Ų | 102 | 37% | 0.374 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.7 | -38.4 | 177.2 | 175.6 | 59 | 0 | 0 | 0 | 113.1 | F116 V118 Q122 L124 | F116-N120 VanDerWaalsContact O-CB 3.26Å; F116-N120 WeakPolarHBondContact O-CB 3.49Å; F116-N120 PolarHBondContact O-N 2.89Å; V118-N120 PolarHBondContact O-N 3.38Å; N120-Q122 VanDerWaalsContact C-N 3.32Å; N120-L124 WeakPolarHBondContact O-CB 3.32Å; N120-L124 PolarHBondContact O-N 2.97Å; N120-L124 VanDerWaalsContact O-N 3.09Å |
| 121 | S | 91.3 | Very high | 90.5 | Very high | 52 Ų | 52 | 104 Ų | 104 | 36% | 0.364 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.5 | -32.6 | 174.7 | 75.4 | 0 | 0 | 0 | 0 | 112.5 | N117 V118 E119 L124 I125 | N117-S121 VanDerWaalsContact O-CB 3.29Å; N117-S121 WeakPolarHBondContact O-CB 3.28Å; N117-S121 PolarHBondContact O-N 3.48Å; N117-S121 PolarHBondContact O-OG 3.11Å; V118-S121 PolarHBondContact O-N 2.65Å; V118-S121 VanDerWaalsContact O-N 3.16Å; V118-S121 PolarHBondContact O-OG 3.42Å; E119-S121 VanDerWaalsContact C-N 3.34Å; E119-S121 PolarHBondContact O-N 3.29Å; S121-L124 WeakPolarHBondContact O-CB 3.33Å; S121-L124 PolarHBondContact O-N 3.35Å; S121-I125 WeakPolarHBondContact O-CD1 3.28Å; S121-I125 VanDerWaalsContact O-CG1 3.28Å; S121-I125 WeakPolarHBondContact O-CG1 3.48Å; S121-I125 PolarHBondContact O-N 3.43Å |
| 122 | Q | 92.2 | Very high | 88.7 | Confident | 108 Ų | 108 | 103.6 Ų | 103.6 | 51% | 0.505 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -79.3 | -34.5 | -178.5 | -162 | 162.1 | 12.2 | 0 | 0 | 111.5 | V118 E119 N120 I125 Q126 | V118-Q122 VanDerWaalsContact O-CB 3.28Å; V118-Q122 WeakPolarHBondContact O-CB 3.48Å; V118-Q122 PolarHBondContact O-N 3.2Å; E119-Q122 CarbonylContact O-C 3.58Å; E119-Q122 WeakPolarHBondContact O-CB 3.43Å; E119-Q122 PolarHBondContact O-N 2.7Å; N120-Q122 VanDerWaalsContact C-N 3.32Å; Q122-I125 PolarHBondContact O-N 3Å; Q122-Q126 WeakPolarHBondContact O-CG 3.21Å; Q122-Q126 PolarHBondContact O-N 2.85Å |
| 123 | E | 89.8 | Confident | 86.7 | Confident | 126 Ų | 126 | 102.8 Ų | 102.8 | 59% | 0.589 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.6 | -44.8 | 165.4 | -72.7 | -178.8 | 179.8 | 0 | 0 | 111.5 | E119 I125 Q126 M127 | E119-E123 WeakPolarHBondContact O-CG 3.31Å; E119-E123 PolarHBondContact O-N 3.35Å; E123-I125 VanDerWaalsContact C-N 3.34Å; E123-I125 PolarHBondContact O-N 3.28Å; E123-Q126 PolarHBondContact O-N 3.38Å; E123-M127 WeakPolarHBondContact O-CB 3.44Å; E123-M127 VanDerWaalsContact O-CG 3.32Å; E123-M127 WeakPolarHBondContact O-CG 3.23Å; E123-M127 PolarHBondContact O-N 2.82Å |
| 124 | L | 89.9 | Confident | 84.5 | Confident | 113 Ų | 113 | 103.3 Ų | 103.3 | 59% | 0.592 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.4 | -41.6 | 174.8 | -92.7 | 162 | 0 | 0 | 0 | 112.7 | N120 S121 Y128 | N120-L124 WeakPolarHBondContact O-CB 3.32Å; N120-L124 PolarHBondContact O-N 2.97Å; N120-L124 VanDerWaalsContact O-N 3.09Å; S121-L124 WeakPolarHBondContact O-CB 3.33Å; S121-L124 PolarHBondContact O-N 3.35Å; L124-Y128 PolarHBondContact O-N 2.95Å |
| 125 | I | 88.6 | Confident | 82.4 | Confident | 94 Ų | 94 | 102.4 Ų | 102.4 | 48% | 0.482 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.8 | -49.6 | 175.2 | -69 | 162.4 | 0 | 0 | 0 | 110.3 | S121 Q122 E123 M127 Y128 D129 | S121-I125 WeakPolarHBondContact O-CD1 3.28Å; S121-I125 VanDerWaalsContact O-CG1 3.28Å; S121-I125 WeakPolarHBondContact O-CG1 3.48Å; S121-I125 PolarHBondContact O-N 3.43Å; Q122-I125 PolarHBondContact O-N 3Å; E123-I125 VanDerWaalsContact C-N 3.34Å; E123-I125 PolarHBondContact O-N 3.28Å; I125-M127 VanDerWaalsContact C-N 3.28Å; I125-M127 PolarHBondContact O-N 2.83Å; I125-Y128 WeakPolarHBondContact O-CA 3.4Å; I125-Y128 WeakPolarHBondContact O-CB 3.29Å; I125-Y128 PolarHBondContact O-N 2.68Å; I125-D129 WeakPolarHBondContact CG2-OD2 3.3Å; I125-D129 PolarHBondContact O-N 2.84Å |
| 126 | Q | 87.6 | Confident | 80.2 | Confident | 120 Ų | 120 | 102.3 Ų | 102.3 | 56% | 0.561 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58 | -38.4 | 177 | -77.4 | -176.7 | 5.1 | 0 | 0 | 112.8 | Q122 E123 Y128 S130 | Q122-Q126 WeakPolarHBondContact O-CG 3.21Å; Q122-Q126 PolarHBondContact O-N 2.85Å; E123-Q126 PolarHBondContact O-N 3.38Å; Q126-Y128 VanDerWaalsContact C-N 3.28Å; Q126-Y128 PolarHBondContact O-N 3.17Å; Q126-S130 WeakPolarHBondContact O-CB 3.44Å; Q126-S130 PolarHBondContact O-N 3.06Å; Q126-S130 PolarHBondContact O-OG 3.2Å |
| 127 | M | 86.5 | Confident | 77.8 | Confident | 112 Ų | 112 | 100.2 Ų | 100.2 | 55% | 0.552 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.7 | -29 | 174.9 | -79.7 | -64.2 | -59.8 | 0 | 0 | 113.1 | E123 I125 K131 | E123-M127 WeakPolarHBondContact O-CB 3.44Å; E123-M127 VanDerWaalsContact O-CG 3.32Å; E123-M127 WeakPolarHBondContact O-CG 3.23Å; E123-M127 PolarHBondContact O-N 2.82Å; I125-M127 VanDerWaalsContact C-N 3.28Å; I125-M127 PolarHBondContact O-N 2.83Å; M127-K131 WeakPolarHBondContact O-CD 3.49Å; M127-K131 VanDerWaalsContact O-CG 3.3Å; M127-K131 WeakPolarHBondContact O-CG 3.44Å |
| 128 | Y | 83.1 | Confident | 75.5 | Confident | 177 Ų | 177 | 105 Ų | 105 | 69% | 0.694 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -80.7 | -46 | 176.2 | -154.4 | -87.4 | 0 | 0 | 0 | 111.3 | L124 I125 Q126 S130 K131 M132 | L124-Y128 PolarHBondContact O-N 2.95Å; I125-Y128 WeakPolarHBondContact O-CA 3.4Å; I125-Y128 WeakPolarHBondContact O-CB 3.29Å; I125-Y128 PolarHBondContact O-N 2.68Å; Q126-Y128 VanDerWaalsContact C-N 3.28Å; Q126-Y128 PolarHBondContact O-N 3.17Å; Y128-S130 VanDerWaalsContact C-N 3.35Å; Y128-S130 PolarHBondContact O-N 3.07Å; Y128-K131 PolarHBondContact O-N 3.06Å; Y128-M132 PolarHBondContact O-N 2.62Å |
| 129 | D | 80.6 | Confident | 73 | Confident | 86 Ų | 86 | 108.8 Ų | 108.8 | 46% | 0.46 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.8 | -42.2 | 177 | -68.5 | -21.4 | 0 | 0 | 0 | 111.3 | I125 K131 M132 E133 | I125-D129 WeakPolarHBondContact CG2-OD2 3.3Å; I125-D129 PolarHBondContact O-N 2.84Å; D129-K131 VanDerWaalsContact C-N 3.33Å; D129-K131 PolarHBondContact O-N 3.09Å; D129-M132 CarbonylContact O-C 3.59Å; D129-M132 PolarHBondContact O-N 3.1Å; D129-M132 VanDerWaalsContact O-N 3.09Å; D129-E133 PolarHBondContact O-N 3.38Å |
| 130 | S | 79.6 | Confident | 70.6 | Confident | 72 Ų | 72 | 108.8 Ų | 108.8 | 50% | 0.503 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.5 | -39.4 | 176.2 | -60.5 | 0 | 0 | 0 | 0 | 112 | Q126 Y128 M132 E133 E134 | Q126-S130 WeakPolarHBondContact O-CB 3.44Å; Q126-S130 PolarHBondContact O-N 3.06Å; Q126-S130 PolarHBondContact O-OG 3.2Å; Y128-S130 VanDerWaalsContact C-N 3.35Å; Y128-S130 PolarHBondContact O-N 3.07Å; S130-M132 VanDerWaalsContact C-N 3.34Å; S130-E133 PolarHBondContact O-N 3.06Å; S130-E134 VanDerWaalsContact O-CB 3.25Å; S130-E134 WeakPolarHBondContact O-CB 3.46Å; S130-E134 PolarHBondContact O-N 3.17Å |
| 131 | K | 70.3 | Confident | 68.6 | Low | 126 Ų | 126 | 111.1 Ų | 111.1 | 55% | 0.548 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -70.4 | -30.8 | 174.3 | -73.1 | 173.9 | -178.2 | 178 | 0 | 112.5 | M127 Y128 D129 S135 | M127-K131 WeakPolarHBondContact O-CD 3.49Å; M127-K131 VanDerWaalsContact O-CG 3.3Å; M127-K131 WeakPolarHBondContact O-CG 3.44Å; Y128-K131 PolarHBondContact O-N 3.06Å; D129-K131 VanDerWaalsContact C-N 3.33Å; D129-K131 PolarHBondContact O-N 3.09Å; K131-S135 PolarHBondContact O-N 3.33Å; K131-S135 PolarHBondContact O-OG 2.83Å |
| 132 | M | 58.8 | Low | 66.4 | Low | 100 Ų | 100 | 119.6 Ų | 119.6 | 49% | 0.493 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -73.8 | -34.8 | 175.7 | -156.4 | -172.6 | -166.5 | 0 | 0 | 111.9 | Y128 D129 S130 S135 K136 | Y128-M132 PolarHBondContact O-N 2.62Å; D129-M132 CarbonylContact O-C 3.59Å; D129-M132 PolarHBondContact O-N 3.1Å; D129-M132 VanDerWaalsContact O-N 3.09Å; S130-M132 VanDerWaalsContact C-N 3.34Å; M132-S135 WeakPolarHBondContact CA-OG 3.42Å; M132-S135 PolarHBondContact O-OG 2.94Å; M132-K136 WeakPolarHBondContact O-CG 3.33Å; M132-K136 PolarHBondContact O-N 3.37Å |
| 133 | E | 55.5 | Low | 64.1 | Low | 105 Ų | 105 | 121.2 Ų | 121.2 | 49% | 0.491 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -77.1 | -36.3 | 172.6 | -74.7 | -54.6 | 138 | 0 | 0 | 112.6 | D129 S130 S135 K136 A137 | D129-E133 PolarHBondContact O-N 3.38Å; S130-E133 PolarHBondContact O-N 3.06Å; E133-S135 PolarHBondContact O-N 3.5Å; E133-K136 CarbonylContact O-C 3.57Å; E133-K136 PolarHBondContact O-N 3.05Å; E133-K136 WeakPolarHBondContact OE1-CD 3.49Å; E133-K136 IonicContact OE1-NZ 2.79Å; E133-K136 PolarHBondContact OE1-NZ 3.02Å; E133-A137 WeakPolarHBondContact O-CB 3.21Å; E133-A137 PolarHBondContact O-N 3.26Å |
| 134 | E | 52.6 | Low | 61.9 | Low | 148 Ų | 148 | 122.9 Ų | 122.9 | 69% | 0.692 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -62.1 | -26.9 | 172.5 | -166.4 | 170.5 | -134.5 | 0 | 0 | 112 | S130 | S130-E134 VanDerWaalsContact O-CB 3.25Å; S130-E134 WeakPolarHBondContact O-CB 3.46Å; S130-E134 PolarHBondContact O-N 3.17Å |
| 135 | S | 54 | Low | 60 | Low | 82 Ų | 82 | 123.1 Ų | 123.1 | 57% | 0.573 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -6.9 | 171.7 | 48.9 | 0 | 0 | 0 | 0 | 115.4 | K131 M132 E133 | K131-S135 PolarHBondContact O-N 3.33Å; K131-S135 PolarHBondContact O-OG 2.83Å; M132-S135 WeakPolarHBondContact CA-OG 3.42Å; M132-S135 PolarHBondContact O-OG 2.94Å; E133-S135 PolarHBondContact O-N 3.5Å |
| 136 | K | 50 | Low | 57.8 | Low | 92 Ų | 92 | 126.5 Ų | 126.5 | 40% | 0.4 | 67% | 0.665 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.8 | -23.5 | 167.7 | -72.1 | 173.6 | -164.1 | 162.9 | 0 | 113.6 | M132 E133 L138 D139 S140 | M132-K136 WeakPolarHBondContact O-CG 3.33Å; M132-K136 PolarHBondContact O-N 3.37Å; E133-K136 CarbonylContact O-C 3.57Å; E133-K136 PolarHBondContact O-N 3.05Å; E133-K136 WeakPolarHBondContact OE1-CD 3.49Å; E133-K136 IonicContact OE1-NZ 2.79Å; E133-K136 PolarHBondContact OE1-NZ 3.02Å; K136-L138 PolarHBondContact O-N 2.99Å; K136-L138 VanDerWaalsContact O-N 3.09Å; K136-D139 PolarHBondContact O-N 3.06Å; K136-S140 PolarHBondContact O-N 2.89Å |
| 137 | A | 45.6 | Very low | 55.8 | Low | 81 Ų | 81 | 125.5 Ų | 125.5 | 67% | 0.669 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -17.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | E133 | E133-A137 WeakPolarHBondContact O-CB 3.21Å; E133-A137 PolarHBondContact O-N 3.26Å |
| 138 | L | 47.1 | Very low | 54 | Low | 162 Ų | 162 | 128 Ų | 128 | 85% | 0.848 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -8.1 | 172.8 | -78.7 | 171.4 | 0 | 0 | 0 | 115.1 | K136 | K136-L138 PolarHBondContact O-N 2.99Å; K136-L138 VanDerWaalsContact O-N 3.09Å |
| 139 | D | 43 | Very low | 52.4 | Low | 148 Ų | 148 | 126.7 Ų | 126.7 | 79% | 0.791 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.1 | -1.4 | -176.1 | -143.5 | 13.8 | 0 | 0 | 0 | 114.2 | K136 S141 | K136-D139 PolarHBondContact O-N 3.06Å; D139-S141 VanDerWaalsContact C-N 3.33Å; D139-S141 PolarHBondContact O-N 3.39Å; D139-S141 VanDerWaalsContact O-N 3.09Å |
| 140 | S | 43.2 | Very low | 50.8 | Low | 111 Ų | 111 | 131.1 Ų | 131.1 | 78% | 0.776 | 71% | 0.709 | S | S | * | * | trans | -86.6 | 67.4 | 175.5 | -162.4 | 0 | 0 | 0 | 0 | 112.7 | K136 | K136-S140 PolarHBondContact O-N 2.89Š| ||
| 141 | S | 51.8 | Low | 48.9 | Very low | 119 Ų | 119 | 133.4 Ų | 133.4 | 83% | 0.832 | 72% | 0.716 | S | S | * | * | trans | -132.8 | 43.1 | 167.8 | -175.4 | 0 | 0 | 0 | 0 | 112.1 | D139 | D139-S141 VanDerWaalsContact C-N 3.33Å; D139-S141 PolarHBondContact O-N 3.39Å; D139-S141 VanDerWaalsContact O-N 3.09Å | ||
| 142 | R | 45.6 | Very low | 47.3 | Very low | 230 Ų | 230 | 133.4 Ų | 133.4 | 87% | 0.868 | 72% | 0.722 | S | S | * | * | trans | -155.9 | 87.2 | 168.3 | -155.2 | 167.6 | -176.6 | 169.8 | -0.7 | 116.1 | ||||
| 143 | D | 42.1 | Very low | 46.4 | Very low | 141 Ų | 141 | 137.3 Ų | 137.3 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | 65.4 | 150.5 | 123.1 | -149.2 | 12.1 | 0 | 0 | 0 | 122 | |||||
| 144 | M | 43.6 | Very low | 45.9 | Very low | 161 Ų | 161 | 138 Ų | 138 | 79% | 0.793 | 75% | 0.752 | S | S | * | * | trans | 77.2 | 113.8 | 168.8 | -61.9 | -65.6 | -72.2 | 0 | 0 | 120.3 | ||||
| 145 | C | 51.6 | Low | 45.4 | Very low | 118 Ų | 118 | 140.1 Ų | 140.1 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | trans | -60.9 | 165.2 | 167.3 | -46.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 146 | L | 41.9 | Very low | 44.7 | Very low | 165 Ų | 165 | 142 Ų | 142 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | trans | -161.8 | 127.7 | 133.7 | -103.6 | 176.5 | 0 | 0 | 0 | 113.4 | ||||
| 147 | S | 45.9 | Very low | 44.1 | Very low | 100 Ų | 100 | 144.6 Ų | 144.6 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | trans | 68.1 | 111.9 | 149.9 | -62.3 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 148 | D | 48 | Very low | 43.8 | Very low | 164 Ų | 164 | 148.4 Ų | 148.4 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | trans | -48.6 | 137.6 | 140.8 | -59.1 | -73.1 | 0 | 0 | 0 | 111.3 | ||||
| 149 | L | 50.2 | Low | 43.6 | Very low | 149 Ų | 149 | 150 Ų | 150 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | trans | -125.4 | 82.8 | 164.8 | -171 | 63.5 | 0 | 0 | 0 | 110.3 | N151 | L149-N151 PolarHBondContact O-N 2.87Š| ||
| 150 | E | 45.9 | Very low | 43.6 | Very low | 179 Ų | 179 | 154 Ų | 154 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | trans | -55.8 | 117 | 163.2 | -176 | 174.3 | -135.7 | 0 | 0 | 109.6 | ||||
| 151 | N | 40.6 | Very low | 42.9 | Very low | 121 Ų | 121 | 156.2 Ų | 156.2 | 65% | 0.647 | 79% | 0.794 | S | S | * | * | trans | -144.8 | 80.7 | 172.8 | -121.7 | -27.6 | 0 | 0 | 0 | 114.3 | L149 | L149-N151 PolarHBondContact O-N 2.87Š| ||
| 152 | N | 36.8 | Very low | 42.3 | Very low | 126 Ų | 126 | 159.5 Ų | 159.5 | 67% | 0.674 | 79% | 0.794 | S | S | * | * | trans | 52.2 | 105.4 | 132.2 | -65.3 | -68.9 | 0 | 0 | 0 | 119.3 | P154 | N152-P154 WeakPolarHBondContact O-CD 3.45Š| ||
| 153 | H | 38.6 | Very low | 41.6 | Very low | 182 Ų | 182 | 155 Ų | 155 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | trans | -64.8 | 136.9 | 151.8 | -59.6 | -80.1 | 0 | 0 | 0 | 111.5 | ||||
| 154 | P | 46.5 | Very low | 41.4 | Very low | 120 Ų | 120 | 156.3 Ų | 156.3 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | trans | -95.4 | 100.1 | 149.3 | -5.3 | 25.2 | 0 | 0 | 0 | 109.1 | N152 V156 | N152-P154 WeakPolarHBondContact O-CD 3.45Å; P154-V156 PolarHBondContact O-N 3Å | ||
| 155 | K | 41.5 | Very low | 41 | Very low | 191 Ų | 191 | 157.9 Ų | 157.9 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | trans | -71.4 | 117.6 | 158.5 | -79.7 | 179 | 177.4 | 173.6 | 0 | 107.8 | ||||
| 156 | V | 39.7 | Very low | 40.1 | Very low | 122 Ų | 122 | 157.8 Ų | 157.8 | 74% | 0.739 | 79% | 0.792 | S | S | * | * | trans | -114.1 | 105.2 | 162.3 | 178.6 | 0 | 0 | 0 | 0 | 107.6 | P154 I158 | P154-V156 PolarHBondContact O-N 3Å; V156-I158 PolarHBondContact O-N 3.05Å | ||
| 157 | D | 36.4 | Very low | 40.1 | Very low | 147 Ų | 147 | 157 Ų | 157 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | trans | -68.3 | 118.6 | 171.7 | -77.8 | -58.3 | 0 | 0 | 0 | 110.3 | ||||
| 158 | I | 40.5 | Very low | 39.3 | Very low | 160 Ų | 160 | 161.8 Ų | 161.8 | 82% | 0.821 | 80% | 0.796 | S | S | * | * | trans | -122.6 | 133.4 | 151.2 | -61.2 | -175.7 | 0 | 0 | 0 | 108.4 | V156 | V156-I158 PolarHBondContact O-N 3.05Š| ||
| 159 | K | 42.6 | Very low | 38.9 | Very low | 195 Ų | 195 | 162.7 Ų | 162.7 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | trans | -79.5 | 149.2 | -156 | -63.8 | 176.6 | -179.8 | 175.9 | 0 | 112.8 | E161 | K159-E161 PolarHBondContact O-N 3.1Å; K159-E161 VanDerWaalsContact O-N 3.12Å | ||
| 160 | R | 42.1 | Very low | 38 | Very low | 232 Ų | 232 | 162.9 Ų | 162.9 | 88% | 0.875 | 79% | 0.794 | S | S | * | * | trans | -49.4 | 110.8 | 156.3 | 173.1 | -166.3 | -67.1 | 171.9 | -2.9 | 110.1 | ||||
| 161 | E | 29.1 | Very low | 37.8 | Very low | 158 Ų | 158 | 163.7 Ų | 163.7 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | trans | -109.6 | 118.6 | 160.4 | -168.3 | 170 | -176.2 | 0 | 0 | 109.6 | K159 N163 | K159-E161 PolarHBondContact O-N 3.1Å; K159-E161 VanDerWaalsContact O-N 3.12Å; E161-N163 PolarHBondContact OE1-ND2 2.92Å | ||
| 162 | K | 40.3 | Very low | 37.8 | Very low | 188 Ų | 188 | 166.2 Ų | 166.2 | 82% | 0.817 | 80% | 0.803 | S | S | * | * | trans | -82 | 118.3 | 164.8 | -76.2 | 178.7 | 174.1 | 179.9 | 0 | 106.9 | ||||
| 163 | N | 30.9 | Very low | 38 | Very low | 135 Ų | 135 | 169.1 Ų | 169.1 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | trans | -127.6 | 130.2 | 153.6 | -82.9 | -51.2 | 0 | 0 | 0 | 110.5 | E161 | E161-N163 PolarHBondContact OE1-ND2 2.92Š| ||
| 164 | Q | 37.3 | Very low | 38 | Very low | 170 Ų | 170 | 169 Ų | 169 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | -102.3 | 133.6 | -175.5 | -149.7 | -178.5 | 39.1 | 0 | 0 | 107.3 | ||||
| 165 | K | 35.7 | Very low | 37.8 | Very low | 193 Ų | 193 | 167.1 Ų | 167.1 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | trans | 59.7 | 114 | 169.4 | -58.3 | 168 | 178.3 | 175.9 | 0 | 117 | ||||
| 166 | S | 32.5 | Very low | 37.9 | Very low | 117 Ų | 117 | 165.6 Ų | 165.6 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | -139.1 | 136.9 | 122 | 73.1 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 167 | L | 40.3 | Very low | 38 | Very low | 149 Ų | 149 | 167.3 Ų | 167.3 | 78% | 0.78 | 81% | 0.806 | S | S | * | * | trans | -93 | 114.5 | 173.1 | 168.4 | 79.8 | 0 | 0 | 0 | 106.6 | ||||
| 168 | F | 29.3 | Very low | 38.4 | Very low | 199 Ų | 199 | 166.3 Ų | 166.3 | 87% | 0.873 | 81% | 0.805 | S | S | * | * | trans | -136.6 | 120.8 | 155.4 | -109.8 | -87.8 | 0 | 0 | 0 | 109.4 | ||||
| 169 | K | 41 | Very low | 38.4 | Very low | 184 Ų | 184 | 167.2 Ų | 167.2 | 80% | 0.8 | 81% | 0.806 | S | S | * | * | trans | -76.2 | 127.8 | 170.4 | -66.5 | 180 | 174.9 | -175.1 | 0 | 107.5 | ||||
| 170 | D | 31.1 | Very low | 38.1 | Very low | 153 Ų | 153 | 166 Ų | 166 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -107.5 | 103.9 | 161.1 | -108.5 | -31 | 0 | 0 | 0 | 110.7 | K172 | D170-K172 PolarHBondContact O-N 2.87Š| ||
| 171 | Q | 41.1 | Very low | 37.9 | Very low | 195 Ų | 195 | 162.4 Ų | 162.4 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | trans | -76.3 | 65.2 | -179.1 | -174.8 | -177.7 | 0.3 | 0 | 0 | 110 | ||||
| 172 | K | 41.5 | Very low | 38.1 | Very low | 175 Ų | 175 | 166.3 Ų | 166.3 | 76% | 0.761 | 81% | 0.81 | S | S | * | * | trans | -147.5 | 5.8 | -174.1 | -134.7 | 178.8 | -179.2 | -179.4 | 0 | 119 | D170 | D170-K172 PolarHBondContact O-N 2.87Š| ||
| 173 | F | 40.3 | Very low | 37.7 | Very low | 186 Ų | 186 | 162.8 Ų | 162.8 | 82% | 0.816 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -109.5 | -8.5 | 179.3 | -91.2 | -82.5 | 0 | 0 | 0 | 116.2 | ||
| 174 | E | 39.8 | Very low | 37.6 | Very low | 181 Ų | 181 | 164.4 Ų | 164.4 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -89.6 | -18.9 | -178.5 | -159 | 171.8 | -150.1 | 0 | 0 | 113.7 | M176 | E174-M176 VanDerWaalsContact C-N 3.3Å; E174-M176 PolarHBondContact O-N 3.03Å |
| 175 | A | 42.3 | Very low | 37.9 | Very low | 79 Ų | 79 | 166.4 Ų | 166.4 | 65% | 0.653 | 82% | 0.823 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -13.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 176 | M | 43.1 | Very low | 37.5 | Very low | 159 Ų | 159 | 162.3 Ų | 162.3 | 78% | 0.783 | 82% | 0.819 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -2.3 | -166.7 | -151.1 | 166.2 | 64.8 | 0 | 0 | 114.7 | E174 | E174-M176 VanDerWaalsContact C-N 3.3Å; E174-M176 PolarHBondContact O-N 3.03Å |
| 177 | L | 41.8 | Very low | 37.5 | Very low | 158 Ų | 158 | 162.2 Ų | 162.2 | 83% | 0.827 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -104.9 | -13.3 | 178.3 | -156.9 | 69.6 | 0 | 0 | 0 | 113.9 | ||
| 178 | V | 43.3 | Very low | 36.8 | Very low | 127 Ų | 127 | 161.7 Ų | 161.7 | 77% | 0.77 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -92.1 | -12.3 | -174.4 | -176.8 | 0 | 0 | 0 | 0 | 112.7 | ||
| 179 | Q | 41.5 | Very low | 37 | Very low | 178 Ų | 178 | 159.4 Ų | 159.4 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -97.1 | 16.1 | -170.5 | -151.1 | 177.7 | -10.9 | 0 | 0 | 115.3 | ||
| 180 | Q | 37.1 | Very low | 36.4 | Very low | 169 Ų | 169 | 157.8 Ų | 157.8 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -112 | 13.9 | -176.2 | -150.7 | 179.8 | -16.6 | 0 | 0 | 115.2 | ||
| 181 | N | 37.1 | Very low | 36.1 | Very low | 158 Ų | 158 | 157 Ų | 157 | 85% | 0.845 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -134.7 | 23.9 | -179.5 | -86.3 | -61.5 | 0 | 0 | 0 | 115.1 | ||
| 182 | R | 34 | Very low | 35.9 | Very low | 240 Ų | 240 | 155.2 Ų | 155.2 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | trans | -148.4 | 88.9 | 168.3 | -74.4 | -164.1 | -179.7 | -162.1 | 2 | 113.2 | ||||
| 183 | S | 31.5 | Very low | 35.3 | Very low | 114 Ų | 114 | 153.9 Ų | 153.9 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | 173 | 126.4 | 113.9 | 60.1 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 184 | D | 28.3 | Very low | 34.8 | Very low | 168 Ų | 168 | 155.1 Ų | 155.1 | 90% | 0.898 | 81% | 0.813 | S | S | * | * | trans | -136.4 | 123.9 | 146.8 | -98.8 | -39.9 | 0 | 0 | 0 | 108.2 | ||||
| 185 | K | 43.7 | Very low | 34.3 | Very low | 212 Ų | 212 | 154.8 Ų | 154.8 | 92% | 0.922 | 81% | 0.809 | S | S | * | * | trans | -152.1 | 108.7 | 173.1 | -102.5 | -172.2 | 176.8 | -177.2 | 0 | 108.8 | ||||
| 186 | S | 28.1 | Very low | 33.6 | Very low | 107 Ų | 107 | 159.8 Ų | 159.8 | 75% | 0.748 | 82% | 0.819 | S | S | * | * | trans | -138.4 | 107.9 | 159.6 | 47 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 187 | S | 31.3 | Very low | 32.8 | Very low | 116 Ų | 116 | 160.2 Ų | 160.2 | 81% | 0.811 | 82% | 0.819 | S | S | * | * | 75.1 | 94.7 | 65.8 | 75.9 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 188 | C | 26.8 | Very low | 32.1 | Very low | 137 Ų | 137 | 160.8 Ų | 160.8 | 93% | 0.926 | 82% | 0.821 | S | S | * | * | trans | -154.8 | 146.6 | 141 | -146.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 189 | D | 31.6 | Very low | 31.3 | Very low | 151 Ų | 151 | 160.8 Ų | 160.8 | 81% | 0.807 | 82% | 0.817 | S | S | * | * | trans | -108.9 | 167 | -170.2 | -104.9 | -49.7 | 0 | 0 | 0 | 112.9 | ||||
| 190 | E | 28.7 | Very low | 30.9 | Very low | 150 Ų | 150 | 159 Ų | 159 | 70% | 0.701 | 82% | 0.818 | S | S | * | * | trans | 39.8 | 122.2 | 160.5 | -68 | -162.7 | 117.2 | 0 | 0 | 121.1 | K192 | E190-K192 WeakPolarHBondContact OE1-CE 3.36Å; E190-K192 IonicContact OE1-NZ 2.87Å | ||
| 191 | C | 25.9 | Very low | 30.5 | Very low | 136 Ų | 136 | 157.2 Ų | 157.2 | 92% | 0.919 | 82% | 0.818 | S | S | * | * | trans | -142.9 | 134.1 | 131 | -153.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 192 | K | 35.9 | Very low | 30.2 | Very low | 159 Ų | 159 | 159.3 Ų | 159.3 | 69% | 0.691 | 82% | 0.821 | S | S | * | * | trans | -97.8 | 145.1 | -174.9 | -71.2 | -174.4 | -179.9 | 175.3 | 0 | 112.8 | E190 | E190-K192 WeakPolarHBondContact OE1-CE 3.36Å; E190-K192 IonicContact OE1-NZ 2.87Å | ||
| 193 | E | 29.5 | Very low | 30 | Very low | 147 Ų | 147 | 151.1 Ų | 151.1 | 69% | 0.687 | 81% | 0.811 | S | S | * | * | trans | 53.1 | 111.8 | 137.5 | -168.2 | -178.6 | -177.5 | 0 | 0 | 119 | ||||
| 194 | K | 29.7 | Very low | 29.9 | Very low | 211 Ų | 211 | 153 Ų | 153 | 92% | 0.917 | 81% | 0.807 | S | S | * | * | -161 | 132.3 | 127 | -107 | 152.1 | -168.6 | 175 | 0 | 115.2 | |||||
| 195 | K | 29.6 | Very low | 30 | Very low | 174 Ų | 174 | 152.4 Ų | 152.4 | 76% | 0.757 | 80% | 0.796 | S | S | * | * | trans | -53.9 | 138.9 | -177.9 | -61.3 | 158.1 | 179.6 | 176.8 | 0 | 116.7 | ||||
| 196 | Q | 26.3 | Very low | 29.2 | Very low | 185 Ų | 185 | 147.7 Ų | 147.7 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | -174.6 | 108 | 126.6 | -101.6 | 172.8 | 0.5 | 0 | 0 | 106.4 | |||||
| 197 | Q | 26.6 | Very low | 29.3 | Very low | 168 Ų | 168 | 149 Ų | 149 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | 66.4 | 77.7 | 65.1 | -161.7 | 177.5 | 16.7 | 0 | 0 | 114.1 | |||||
| 198 | I | 27.9 | Very low | 29.3 | Very low | 170 Ų | 170 | 150.5 Ų | 150.5 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | trans | -135.2 | 124.5 | 142.6 | -61.3 | -176.6 | 0 | 0 | 0 | 106.6 | ||||
| 199 | D | 26.9 | Very low | 29.4 | Very low | 126 Ų | 126 | 150.1 Ų | 150.1 | 67% | 0.674 | 78% | 0.784 | S | S | * | * | trans | -77.6 | 137.8 | 176.9 | -66.1 | -70.8 | 0 | 0 | 0 | 111.6 | ||||
| 200 | T | 32.3 | Very low | 29.3 | Very low | 140 Ų | 140 | 150.4 Ų | 150.4 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | trans | -167 | 97.5 | 132.8 | -66.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 201 | V | 29.6 | Very low | 29.3 | Very low | 132 Ų | 132 | 148.5 Ų | 148.5 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | trans | -13.9 | 139.5 | 146.1 | 172.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 202 | F | 29.2 | Very low | 29.3 | Very low | 203 Ų | 203 | 147.2 Ų | 147.2 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | cis | -177.5 | 152.9 | -3.6 | 166.6 | -89.8 | 0 | 0 | 0 | 108.3 | ||||
| 203 | G | 29.8 | Very low | 29 | Very low | 68 Ų | 68 | 146.5 Ų | 146.5 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | 103.6 | 89.3 | 162.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 204 | E | 29.2 | Very low | 29 | Very low | 152 Ų | 152 | 148.9 Ų | 148.9 | 71% | 0.71 | 79% | 0.791 | S | S | * | * | trans | -90.2 | 153.7 | 174.9 | -104.7 | -166.4 | 146.2 | 0 | 0 | 114 | ||||
| 205 | K | 31.2 | Very low | 28.9 | Very low | 157 Ų | 157 | 145.1 Ų | 145.1 | 68% | 0.683 | 79% | 0.786 | S | S | * | * | trans | 60.5 | 115.6 | 148.8 | -64 | 160.4 | -179.2 | 151.6 | 0 | 117.5 | ||||
| 206 | S | 26.2 | Very low | 29.1 | Very low | 113 Ų | 113 | 145.8 Ų | 145.8 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | 58.7 | 88.3 | 50.8 | -171.5 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 207 | V | 31 | Very low | 29.2 | Very low | 133 Ų | 133 | 143.2 Ų | 143.2 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | trans | -125.8 | 137.8 | 155.8 | 176.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 208 | I | 32.5 | Very low | 29.2 | Very low | 148 Ų | 148 | 143.1 Ų | 143.1 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | trans | -78.7 | 120.7 | -172.1 | -58.1 | 169.2 | 0 | 0 | 0 | 109.8 | ||||
| 209 | T | 27.8 | Very low | 29.5 | Very low | 130 Ų | 130 | 140.5 Ų | 140.5 | 80% | 0.798 | 78% | 0.777 | S | S | * | * | trans | -120.3 | 117.6 | 168.1 | -51.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 210 | L | 29.6 | Very low | 29.7 | Very low | 157 Ų | 157 | 141.2 Ų | 141.2 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | -85.5 | 115.6 | 177 | -75.7 | 170.6 | 0 | 0 | 0 | 111 | ||||
| 211 | S | 27.8 | Very low | 29.7 | Very low | 110 Ų | 110 | 141.5 Ų | 141.5 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | 12.9 | 120.8 | 157.5 | -51.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 212 | S | 26.3 | Very low | 29.5 | Very low | 108 Ų | 108 | 143.8 Ų | 143.8 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | trans | -125.8 | 129.1 | 143.5 | -176.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 213 | I | 30.7 | Very low | 29.4 | Very low | 144 Ų | 144 | 140.4 Ų | 140.4 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | trans | -98.1 | 110.8 | -174.4 | -59.1 | 168 | 0 | 0 | 0 | 108.6 | ||||
| 214 | F | 29.4 | Very low | 29.6 | Very low | 197 Ų | 197 | 144.2 Ų | 144.2 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | trans | -139.7 | 118.2 | 162 | -88.6 | -77.6 | 0 | 0 | 0 | 109.8 | ||||
| 215 | T | 27.8 | Very low | 29.9 | Very low | 133 Ų | 133 | 142.2 Ų | 142.2 | 82% | 0.816 | 76% | 0.762 | S | S | * | * | trans | -100.4 | 133.7 | -178.8 | 40.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 216 | K | 33.4 | Very low | 29.7 | Very low | 187 Ų | 187 | 146.4 Ų | 146.4 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | trans | -140.6 | 150.8 | 159.4 | -80.7 | -172.4 | 175.3 | -170.9 | 0 | 105 | ||||
| 217 | D | 28.1 | Very low | 29.8 | Very low | 132 Ų | 132 | 146.8 Ų | 146.8 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | cis | -156 | 157.8 | 2.5 | -100.2 | -40.4 | 0 | 0 | 0 | 106.7 | ||||
| 218 | L | 26 | Very low | 29.7 | Very low | 166 Ų | 166 | 148.8 Ų | 148.8 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | trans | -162.9 | 97.8 | 147.4 | -142.9 | 68.4 | 0 | 0 | 0 | 115.4 | ||||
| 219 | V | 35.8 | Very low | 29.3 | Very low | 115 Ų | 115 | 145.5 Ų | 145.5 | 70% | 0.697 | 79% | 0.785 | S | S | * | * | 10.5 | 137.1 | 123.1 | -153.9 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 220 | E | 30.9 | Very low | 29.1 | Very low | 140 Ų | 140 | 143.2 Ų | 143.2 | 65% | 0.654 | 79% | 0.786 | S | S | * | * | cis | -166 | 170.4 | 29.8 | -144.6 | -177.2 | 170.8 | 0 | 0 | 115.1 | ||||
| 221 | K | 30.9 | Very low | 29.2 | Very low | 146 Ų | 146 | 145.5 Ų | 145.5 | 64% | 0.635 | 79% | 0.79 | S | S | * | * | trans | 66.2 | 117.7 | 149.2 | -86.8 | 161.3 | -176.1 | 132.5 | 0 | 122.2 | ||||
| 222 | H | 27 | Very low | 29.2 | Very low | 181 Ų | 181 | 147.6 Ų | 147.6 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | -163.5 | 154.6 | 94.3 | -117.2 | -93.1 | 0 | 0 | 0 | 115.4 | |||||
| 223 | N | 26.4 | Very low | 29.2 | Very low | 132 Ų | 132 | 150.7 Ų | 150.7 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | trans | -78.7 | 166.4 | -177.8 | -76 | -29.6 | 0 | 0 | 0 | 113.3 | ||||
| 224 | L | 33.1 | Very low | 29.3 | Very low | 148 Ų | 148 | 151.2 Ų | 151.2 | 78% | 0.775 | 80% | 0.803 | S | S | * | * | cis | -172.3 | -166.7 | -0.1 | -110 | 171.3 | 0 | 0 | 0 | 106.4 | ||||
| 225 | P | 37.1 | Very low | 29.2 | Very low | 109 Ų | 109 | 148.9 Ų | 148.9 | 71% | 0.708 | 80% | 0.795 | S | S | * | * | cis | -131.5 | -178.1 | -23.8 | 36.9 | -17.6 | 0 | 0 | 0 | 115.4 | ||||
| 226 | W | 25.3 | Very low | 30 | Very low | 246 Ų | 246 | 148 Ų | 148 | 93% | 0.932 | 79% | 0.792 | S | S | * | * | trans | -71 | 166 | 165.8 | -119.5 | -38.6 | 0 | 0 | 0 | 113.7 | ||||
| 227 | S | 29.6 | Very low | 29.8 | Very low | 121 Ų | 121 | 145.5 Ų | 145.5 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -150.1 | 157 | 156.6 | -80 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 228 | L | 27.6 | Very low | 29.7 | Very low | 174 Ų | 174 | 143.9 Ų | 143.9 | 91% | 0.911 | 77% | 0.774 | S | S | * | * | trans | -119.4 | 130.5 | -156.4 | 172.9 | 70.5 | 0 | 0 | 0 | 112.3 | ||||
| 229 | G | 24.9 | Very low | 29.9 | Very low | 80 Ų | 80 | 144.2 Ų | 144.2 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | trans | 55.1 | 117 | 146.8 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 230 | G | 24.3 | Very low | 29.5 | Very low | 81 Ų | 81 | 146.8 Ų | 146.8 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | trans | -165.1 | 126.3 | 162.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 231 | K | 30.6 | Very low | 29.3 | Very low | 205 Ų | 205 | 145.6 Ų | 145.6 | 89% | 0.891 | 78% | 0.779 | S | S | * | * | trans | -80.9 | 137.9 | 179.1 | -69.9 | 173.9 | 174 | 176.1 | 0 | 111.8 | ||||
| 232 | T | 28.5 | Very low | 29.1 | Very low | 154 Ų | 154 | 146.1 Ų | 146.1 | 95% | 0.945 | 79% | 0.788 | S | S | * | * | -162.1 | 164.7 | 122.7 | 14.1 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 233 | Q | 26.9 | Very low | 28.9 | Very low | 173 Ų | 173 | 144 Ų | 144 | 81% | 0.808 | 79% | 0.792 | S | S | * | * | trans | -93.7 | 156.3 | -166.9 | 177.6 | -165.6 | 78.2 | 0 | 0 | 112.2 | ||||
| 234 | I | 31.7 | Very low | 29 | Very low | 155 Ų | 155 | 146.5 Ų | 146.5 | 80% | 0.795 | 80% | 0.797 | S | S | * | * | trans | 162.8 | 134.5 | 133.2 | -82.8 | 156.3 | 0 | 0 | 0 | 111.6 | ||||
| 235 | E | 26.8 | Very low | 28.9 | Very low | 149 Ų | 149 | 146.8 Ų | 146.8 | 70% | 0.696 | 80% | 0.797 | S | S | * | * | trans | -81.3 | -179.6 | 173.1 | -118.4 | -157.7 | 95.9 | 0 | 0 | 111.6 | ||||
| 236 | P | 45.2 | Very low | 28.4 | Very low | 114 Ų | 114 | 149.6 Ų | 149.6 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | cis | -141.2 | 178.9 | 27.2 | 36.2 | -12.6 | 0 | 0 | 0 | 118.3 | ||||
| 237 | E | 28.9 | Very low | 28.5 | Very low | 134 Ų | 134 | 143.7 Ų | 143.7 | 63% | 0.626 | 79% | 0.792 | S | S | * | * | trans | -33.6 | 146.6 | 165 | -45.8 | 178.6 | 136.8 | 0 | 0 | 118.4 | ||||
| 238 | N | 25.5 | Very low | 28.7 | Very low | 99 Ų | 99 | 147.3 Ų | 147.3 | 53% | 0.529 | 79% | 0.792 | S | S | . | * | 172.4 | 135.7 | 90.3 | -102.1 | -67.1 | 0 | 0 | 0 | 114.8 | |||||
| 239 | K | 30.2 | Very low | 28.8 | Very low | 172 Ų | 172 | 144.6 Ų | 144.6 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | 22 | 116.5 | 139.9 | -59.4 | 163.5 | -164.9 | 143.1 | 0 | 118.6 | ||||
| 240 | I | 27.9 | Very low | 29.8 | Very low | 170 Ų | 170 | 146.3 Ų | 146.3 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | trans | -113.8 | 122.9 | 162.4 | -63.1 | 175.9 | 0 | 0 | 0 | 109.5 | ||||
| 241 | T | 27.7 | Very low | 29.9 | Very low | 114 Ų | 114 | 152 Ų | 152 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | trans | -120.5 | 129.2 | 176.2 | -33.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 242 | L | 26.7 | Very low | 29.6 | Very low | 158 Ų | 158 | 147.5 Ų | 147.5 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | trans | 54 | 109.5 | 159 | -69.7 | 160.7 | 0 | 0 | 0 | 119.1 | ||||
| 243 | C | 22.8 | Very low | 29.4 | Very low | 135 Ų | 135 | 149.5 Ų | 149.5 | 91% | 0.912 | 78% | 0.778 | S | S | * | * | trans | -88.5 | 128.4 | 150.6 | -75.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 244 | K | 27.1 | Very low | 29.3 | Very low | 186 Ų | 186 | 143.7 Ų | 143.7 | 81% | 0.809 | 77% | 0.765 | S | S | * | * | trans | -124.5 | 131.3 | 170.2 | -162 | 174.2 | -175.5 | 177.2 | 0 | 110.5 | ||||
| 245 | I | 30.7 | Very low | 29.2 | Very low | 154 Ų | 154 | 144 Ų | 144 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | -76.8 | 140.6 | -174 | -56.6 | 161.3 | 0 | 0 | 0 | 110.2 | ||||
| 246 | H | 28.5 | Very low | 29.1 | Very low | 167 Ų | 167 | 139.9 Ų | 139.9 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | -141 | 149.7 | 161.7 | -84.3 | -71.4 | 0 | 0 | 0 | 114 | ||||
| 247 | T | 27.1 | Very low | 28.5 | Very low | 122 Ų | 122 | 141 Ų | 141 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | -114.5 | 127.1 | -169.5 | 22.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 248 | K | 33.6 | Very low | 28.5 | Very low | 197 Ų | 197 | 143 Ų | 143 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | trans | 52.9 | 114.9 | 146.9 | -60.3 | -172.5 | 177.7 | -177.1 | 0 | 122.4 | ||||
| 249 | S | 28.8 | Very low | 28.6 | Very low | 118 Ų | 118 | 146 Ų | 146 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | 74.3 | 164.3 | 131.5 | -135.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 250 | P | 45.8 | Very low | 28.6 | Very low | 115 Ų | 115 | 147.1 Ų | 147.1 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | cis | -129.9 | -179.4 | -20.9 | 19.6 | 4.9 | 0 | 0 | 0 | 115.5 | ||||
| 251 | K | 27.4 | Very low | 28.6 | Very low | 200 Ų | 200 | 142.3 Ų | 142.3 | 87% | 0.87 | 80% | 0.802 | S | S | * | * | trans | 118.8 | 95.6 | 133.6 | -152.8 | 169.9 | -171.7 | 177.1 | 0 | 120.6 | ||||
| 252 | C | 23 | Very low | 28.9 | Very low | 112 Ų | 112 | 147 Ų | 147 | 76% | 0.757 | 81% | 0.812 | S | S | * | * | 63 | 98.7 | 130 | -151.1 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 253 | H | 25.3 | Very low | 29.1 | Very low | 195 Ų | 195 | 147.8 Ų | 147.8 | 90% | 0.903 | 81% | 0.812 | S | S | * | * | -163.1 | 161.4 | 121.4 | -101.7 | -61.9 | 0 | 0 | 0 | 108.1 | |||||
| 254 | G | 24.7 | Very low | 29.9 | Very low | 52 Ų | 52 | 145.6 Ų | 145.6 | 54% | 0.536 | 80% | 0.796 | S | S | . | * | cis | 170.6 | 140.5 | -10.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 255 | T | 28.9 | Very low | 29.9 | Very low | 162 Ų | 162 | 141.8 Ų | 141.8 | 99% | 0.994 | 79% | 0.792 | S | S | * | * | trans | 71.4 | 131.4 | -177 | -18.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 256 | G | 25.1 | Very low | 29.6 | Very low | 62 Ų | 62 | 143.3 Ų | 143.3 | 64% | 0.639 | 80% | 0.796 | S | S | * | * | cis | -179.7 | 179.7 | -7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 257 | V | 32.7 | Very low | 29.5 | Very low | 138 Ų | 138 | 141.7 Ų | 141.7 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | trans | 68.2 | 88.7 | 169 | -166.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 258 | Q | 28.2 | Very low | 30 | Very low | 175 Ų | 175 | 141 Ų | 141 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | 65.8 | 114.4 | 98.7 | -73.7 | -163 | -3.4 | 0 | 0 | 117.2 | |||||
| 259 | N | 29.1 | Very low | 29.6 | Very low | 162 Ų | 162 | 137.1 Ų | 137.1 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | -159.7 | 148.5 | 110.4 | -103.3 | -45 | 0 | 0 | 0 | 111.8 | |||||
| 260 | E | 29 | Very low | 29.4 | Very low | 196 Ų | 196 | 138.8 Ų | 138.8 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | trans | -78.6 | 158.5 | 174 | -57.4 | -177.2 | 121.4 | 0 | 0 | 110.6 | ||||
| 261 | G | 28.1 | Very low | 28.5 | Very low | 69 Ų | 69 | 137.7 Ų | 137.7 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | cis | 173.8 | -161.3 | -0.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 262 | K | 34.5 | Very low | 28.5 | Very low | 211 Ų | 211 | 134.4 Ų | 134.4 | 92% | 0.917 | 78% | 0.775 | S | S | * | * | trans | 76.4 | 82.1 | 171.4 | -57.2 | -173 | 179.6 | -178.2 | 0 | 118.8 | ||||
| 263 | Q | 31.7 | Very low | 28.8 | Very low | 176 Ų | 176 | 135.1 Ų | 135.1 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | -25.3 | 172.1 | 127.6 | -73.4 | -109.7 | -39 | 0 | 0 | 117.2 | |||||
| 264 | P | 38.5 | Very low | 29 | Very low | 89 Ų | 89 | 133.8 Ų | 133.8 | 58% | 0.578 | 76% | 0.758 | S | S | * | * | cis | -145.1 | -171 | -34.4 | 38.9 | -19.9 | 0 | 0 | 0 | 114.6 | ||||
| 265 | S | 26.6 | Very low | 29.3 | Very low | 105 Ų | 105 | 138.4 Ų | 138.4 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | trans | 66.2 | 155.3 | 154.5 | 52.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 266 | E | 26.2 | Very low | 29.2 | Very low | 186 Ų | 186 | 140.7 Ų | 140.7 | 87% | 0.869 | 76% | 0.757 | S | S | * | * | cis | -141.4 | 152.7 | 24.7 | -66.2 | 170.8 | 149 | 0 | 0 | 113.1 | ||||
| 267 | T | 24.8 | Very low | 29.5 | Very low | 133 Ų | 133 | 145.6 Ų | 145.6 | 82% | 0.816 | 76% | 0.763 | S | S | * | * | trans | -88.1 | 159 | 149.7 | 16.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 268 | P | 37.9 | Very low | 29.1 | Very low | 108 Ų | 108 | 146 Ų | 146 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | cis | -155.7 | -172 | 46.2 | 34.7 | -8.3 | 0 | 0 | 0 | 118.7 | ||||
| 269 | T | 24.9 | Very low | 29 | Very low | 116 Ų | 116 | 143.5 Ų | 143.5 | 71% | 0.712 | 76% | 0.756 | S | S | * | * | trans | 81.1 | 112.2 | 141.8 | 31 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 270 | L | 24.5 | Very low | 29.1 | Very low | 153 Ų | 153 | 140.8 Ų | 140.8 | 80% | 0.801 | 75% | 0.75 | S | S | * | * | 83.2 | 135.6 | 120.8 | -127.2 | 89.8 | 0 | 0 | 0 | 122.8 | |||||
| 271 | S | 28 | Very low | 29 | Very low | 92 Ų | 92 | 137.5 Ų | 137.5 | 64% | 0.643 | 74% | 0.743 | S | S | * | * | trans | 63 | 151 | 153.7 | -84.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 272 | D | 27.1 | Very low | 28.9 | Very low | 130 Ų | 130 | 144.9 Ų | 144.9 | 70% | 0.695 | 75% | 0.751 | S | S | * | * | cis | -154.4 | 173 | -9.4 | -133.5 | -41.3 | 0 | 0 | 0 | 112.6 | ||||
| 273 | E | 28.4 | Very low | 28.8 | Very low | 128 Ų | 128 | 142.3 Ų | 142.3 | 60% | 0.598 | 75% | 0.747 | S | S | * | * | trans | 22.4 | 125.3 | 153.2 | -79.3 | -170.2 | 127.3 | 0 | 0 | 122.9 | ||||
| 274 | K | 30.7 | Very low | 28.6 | Very low | 166 Ų | 166 | 137.4 Ų | 137.4 | 72% | 0.722 | 74% | 0.743 | S | S | * | * | trans | 66.2 | 172.2 | 131.6 | -66.7 | 171.8 | 178.6 | 165 | 0 | 118.7 | ||||
| 275 | Q | 30.2 | Very low | 28.3 | Very low | 150 Ų | 150 | 140.9 Ų | 140.9 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | cis | -163.5 | 104.6 | -43.4 | -178.3 | -177.7 | -20.5 | 0 | 0 | 109.1 | ||||
| 276 | W | 27.7 | Very low | 28.3 | Very low | 210 Ų | 210 | 141.9 Ų | 141.9 | 80% | 0.795 | 76% | 0.758 | S | S | * | * | trans | 69.9 | 156.4 | 153.4 | -69.3 | 62.8 | 0 | 0 | 0 | 123.5 | ||||
| 277 | H | 30.1 | Very low | 28.3 | Very low | 164 Ų | 164 | 140.2 Ų | 140.2 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | trans | 75.6 | 148.4 | 166.2 | -46.8 | -64.5 | 0 | 0 | 0 | 115.9 | ||||
| 278 | D | 25.8 | Very low | 28.5 | Very low | 147 Ų | 147 | 139.8 Ų | 139.8 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | cis | -156.2 | -167.2 | 10.4 | -172.8 | 22.6 | 0 | 0 | 0 | 110.6 | ||||
| 279 | V | 26.4 | Very low | 28.4 | Very low | 122 Ų | 122 | 141.1 Ų | 141.1 | 74% | 0.739 | 77% | 0.765 | S | S | * | * | trans | 90.9 | 132.2 | 157.7 | -170.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 280 | S | 29.9 | Very low | 28.4 | Very low | 105 Ų | 105 | 141.2 Ų | 141.2 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | cis | -145.7 | 148.2 | 5.4 | 42.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 281 | V | 27.4 | Very low | 28.6 | Very low | 128 Ų | 128 | 139 Ų | 139 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | -71.9 | 149.4 | 159.8 | 174.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 282 | Y | 26.2 | Very low | 28.5 | Very low | 223 Ų | 223 | 144.4 Ų | 144.4 | 88% | 0.875 | 78% | 0.78 | S | S | * | * | trans | -127 | 129.7 | 162.6 | -147.8 | -95.6 | 0 | 0 | 0 | 110.9 | ||||
| 283 | L | 32.2 | Very low | 28.4 | Very low | 157 Ų | 157 | 146.8 Ų | 146.8 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | -128.6 | 135.2 | 179.9 | -151.2 | 89.1 | 0 | 0 | 0 | 108.3 | ||||
| 284 | G | 27.1 | Very low | 29.1 | Very low | 73 Ų | 73 | 145.3 Ų | 145.3 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | trans | -172 | 91.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 285 | L | 32.2 | Very low | 28.7 | Very low | 162 Ų | 162 | 146.6 Ų | 146.6 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | trans | -89.5 | 151 | 169.1 | -69.1 | 167.4 | 0 | 0 | 0 | 110.2 | ||||
| 286 | T | 27.1 | Very low | 28.7 | Very low | 127 Ų | 127 | 148.4 Ų | 148.4 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | trans | -168 | 130.5 | 139.6 | 12 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 287 | N | 26.1 | Very low | 28.8 | Very low | 151 Ų | 151 | 146.4 Ų | 146.4 | 81% | 0.807 | 81% | 0.806 | S | S | * | * | trans | 64.2 | 115.7 | 142.8 | -55.4 | -14.7 | 0 | 0 | 0 | 122.4 | ||||
| 288 | C | 28.1 | Very low | 28.5 | Very low | 124 Ų | 124 | 145.8 Ų | 145.8 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | trans | -81.7 | 168.1 | 150.9 | -55.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 289 | P | 37.2 | Very low | 28.8 | Very low | 135 Ų | 135 | 144.6 Ų | 144.6 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | -140.8 | 173.1 | 107.2 | 35.9 | -21.5 | 0 | 0 | 0 | 115.7 | |||||
| 290 | S | 24.8 | Very low | 28.8 | Very low | 118 Ų | 118 | 146.9 Ų | 146.9 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | -89.7 | 152.8 | -168.1 | 173.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 291 | S | 28.3 | Very low | 28.5 | Very low | 107 Ų | 107 | 147.5 Ų | 147.5 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | trans | -159.8 | 118.9 | 147 | 63.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 292 | K | 25.7 | Very low | 28.6 | Very low | 206 Ų | 206 | 151 Ų | 151 | 90% | 0.896 | 82% | 0.819 | S | S | * | * | trans | 50.2 | 124 | 134.6 | -57.2 | -173.4 | 179.8 | -177.7 | 0 | 123.1 | ||||
| 293 | H | 24.8 | Very low | 28.5 | Very low | 179 Ų | 179 | 147.3 Ų | 147.3 | 83% | 0.829 | 82% | 0.815 | S | S | * | * | trans | -83.4 | -177.1 | 153.4 | -165 | -130.2 | 0 | 0 | 0 | 109.8 | ||||
| 294 | P | 42.7 | Very low | 28.3 | Very low | 97 Ų | 97 | 148.4 Ų | 148.4 | 63% | 0.63 | 82% | 0.816 | S | S | * | * | cis | -120.8 | -179.1 | -22.7 | 13.4 | 11.4 | 0 | 0 | 0 | 114 | ||||
| 295 | E | 23.4 | Very low | 28.4 | Very low | 194 Ų | 194 | 151.6 Ų | 151.6 | 91% | 0.907 | 81% | 0.813 | S | S | * | * | trans | -146.6 | 151.2 | 141.6 | -162.1 | 155.8 | -158.1 | 0 | 0 | 111.8 | ||||
| 296 | K | 30.3 | Very low | 28.2 | Very low | 188 Ų | 188 | 149.8 Ų | 149.8 | 82% | 0.817 | 80% | 0.8 | S | S | * | * | trans | -125.8 | 142.9 | -176.5 | -73.3 | -176 | 174.7 | -173.4 | 0 | 111.4 | ||||
| 297 | L | 29.4 | Very low | 28.2 | Very low | 168 Ų | 168 | 152.7 Ų | 152.7 | 88% | 0.88 | 80% | 0.797 | S | S | * | * | trans | -143.7 | 122.4 | 147.9 | -67.5 | 173.9 | 0 | 0 | 0 | 104.9 | ||||
| 298 | D | 23.6 | Very low | 28.5 | Very low | 150 Ų | 150 | 150.5 Ų | 150.5 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | cis | 91.5 | 151.4 | 38 | -159.3 | 27.5 | 0 | 0 | 0 | 113.8 | ||||
| 299 | V | 32.7 | Very low | 28.4 | Very low | 123 Ų | 123 | 152.4 Ų | 152.4 | 75% | 0.745 | 79% | 0.79 | S | S | * | * | trans | 91.4 | 82.4 | -169.4 | -169.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 300 | E | 25.3 | Very low | 28.1 | Very low | 169 Ų | 169 | 153.8 Ų | 153.8 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | 47.4 | 100 | 114.5 | -140.4 | 157.7 | -162.4 | 0 | 0 | 118.1 | |||||
| 301 | C | 24.2 | Very low | 28.2 | Very low | 119 Ų | 119 | 153.9 Ų | 153.9 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | 74.8 | 122.3 | 81.4 | -70.1 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 302 | Q | 29 | Very low | 28.1 | Very low | 200 Ų | 200 | 154.2 Ų | 154.2 | 94% | 0.935 | 79% | 0.79 | S | S | * | * | trans | -138.9 | 118.9 | 136.5 | -164.1 | 159.1 | 24 | 0 | 0 | 110 | ||||
| 303 | D | 25.4 | Very low | 28 | Very low | 146 Ų | 146 | 149.8 Ų | 149.8 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | trans | -77.5 | 152.3 | -178.5 | -99.3 | -41.8 | 0 | 0 | 0 | 113.4 | ||||
| 304 | Q | 27.8 | Very low | 28.3 | Very low | 181 Ų | 181 | 149.4 Ų | 149.4 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | 153.1 | 137.6 | 131.1 | -87.6 | -171.1 | 10.2 | 0 | 0 | 110.2 | ||||
| 305 | M | 28.1 | Very low | 27.7 | Very low | 140 Ų | 140 | 154.8 Ų | 154.8 | 69% | 0.69 | 80% | 0.796 | S | S | * | * | cis | -153.1 | 152.6 | -4.7 | -177.4 | 72.7 | 174.4 | 0 | 0 | 107.9 | ||||
| 306 | E | 28.5 | Very low | 28 | Very low | 124 Ų | 124 | 152.3 Ų | 152.3 | 58% | 0.579 | 79% | 0.789 | S | S | * | * | trans | -23.3 | 162.8 | 163.3 | -43.8 | 178.3 | 159.7 | 0 | 0 | 117.7 | ||||
| 307 | R | 27.1 | Very low | 28.2 | Very low | 187 Ų | 187 | 152.4 Ų | 152.4 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | cis | -165.9 | 154.5 | 27.9 | -152 | 168 | 179.3 | 114 | -3.3 | 111.4 | ||||
| 308 | S | 31.3 | Very low | 28 | Very low | 106 Ų | 106 | 148.4 Ų | 148.4 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | trans | -90.2 | 145.9 | 161.3 | -50.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 309 | E | 27.1 | Very low | 28.3 | Very low | 163 Ų | 163 | 146.8 Ų | 146.8 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | -173.1 | 117.8 | 138.7 | -107.1 | 158.3 | -157.9 | 0 | 0 | 114.6 | ||||
| 310 | I | 31.5 | Very low | 28.4 | Very low | 164 Ų | 164 | 149.3 Ų | 149.3 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | trans | -1.7 | 129.5 | 136.1 | -35.5 | 161.6 | 0 | 0 | 0 | 116.4 | ||||
| 311 | S | 27.1 | Very low | 28.7 | Very low | 121 Ų | 121 | 145.2 Ų | 145.2 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | trans | -159.9 | 155.2 | 133.2 | 66.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 312 | C | 24.9 | Very low | 29 | Very low | 114 Ų | 114 | 148.7 Ų | 148.7 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | -116 | 141.5 | 176.2 | 174.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 313 | C | 24.2 | Very low | 29.3 | Very low | 112 Ų | 112 | 144.9 Ų | 144.9 | 76% | 0.757 | 79% | 0.794 | S | S | * | * | trans | 161.1 | 103.9 | 137.4 | -88.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 314 | Q | 31 | Very low | 29.7 | Very low | 171 Ų | 171 | 140.7 Ų | 140.7 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | 26.3 | 115.6 | 127.1 | -163.7 | 172.9 | 27.3 | 0 | 0 | 119.8 | |||||
| 315 | K | 29.6 | Very low | 30.2 | Very low | 211 Ų | 211 | 140.3 Ų | 140.3 | 92% | 0.917 | 79% | 0.785 | S | S | * | * | trans | -161.1 | 159.7 | 136.8 | -110 | 164.4 | -172.7 | 177.4 | 0 | 111 | ||||
| 316 | N | 30.7 | Very low | 30.6 | Very low | 142 Ų | 142 | 139.3 Ų | 139.3 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | trans | -98.4 | 163.4 | -156.5 | -56.8 | -23.1 | 0 | 0 | 0 | 114.8 | ||||
| 317 | E | 33.1 | Very low | 31 | Very low | 189 Ų | 189 | 140 Ų | 140 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | trans | 108.2 | 129.5 | 136.5 | -155.9 | 156.7 | -151.1 | 0 | 0 | 119.6 | ||||
| 318 | A | 26.8 | Very low | 32 | Very low | 85 Ų | 85 | 136.5 Ų | 136.5 | 70% | 0.702 | 80% | 0.803 | S | S | * | * | trans | 62.9 | 96.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 319 | C | 28.9 | Very low | 32.7 | Very low | 116 Ų | 116 | 140.2 Ų | 140.2 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | 178.8 | 126.1 | 93.9 | -99.4 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 320 | L | 35.3 | Very low | 34.1 | Very low | 176 Ų | 176 | 135.7 Ų | 135.7 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | trans | 41.5 | 117.1 | 140 | -63.1 | 166.2 | 0 | 0 | 0 | 120.7 | ||||
| 321 | G | 30.3 | Very low | 35.2 | Very low | 82 Ų | 82 | 134 Ų | 134 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | trans | -179.5 | 37.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115 | S323 | G321-S323 PolarHBondContact O-N 2.98Š| ||
| 322 | E | 31.3 | Very low | 36.3 | Very low | 193 Ų | 193 | 133.4 Ų | 133.4 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | trans | -81.7 | 104.8 | -174.5 | -170.6 | 170.2 | -151.7 | 0 | 0 | 111.8 | G324 | E322-G324 PolarHBondContact O-N 3.33Š| ||
| 323 | S | 35 | Very low | 37.4 | Very low | 119 Ų | 119 | 132.9 Ų | 132.9 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | trans | -86.4 | 83.3 | 171.7 | -168.4 | 0 | 0 | 0 | 0 | 110 | G321 M325 | G321-S323 PolarHBondContact O-N 2.98Å; S323-M325 PolarHBondContact O-N 3.01Å | ||
| 324 | G | 34.6 | Very low | 38.4 | Very low | 58 Ų | 58 | 132.8 Ų | 132.8 | 60% | 0.598 | 77% | 0.772 | S | S | * | * | trans | -66 | 113 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E322 C326 | E322-G324 PolarHBondContact O-N 3.33Å; G324-C326 PolarHBondContact O-N 2.73Å | ||
| 325 | M | 37.3 | Very low | 39.1 | Very low | 173 Ų | 173 | 131.6 Ų | 131.6 | 85% | 0.852 | 77% | 0.771 | S | S | * | * | trans | -67.5 | 117.7 | 168.3 | -64.4 | 173.6 | 64.4 | 0 | 0 | 108.9 | S323 D327 | S323-M325 PolarHBondContact O-N 3.01Å; M325-D327 PolarHBondContact O-N 3.06Å | ||
| 326 | C | 37.7 | Very low | 39.9 | Very low | 120 Ų | 120 | 130 Ų | 130 | 81% | 0.811 | 76% | 0.764 | S | S | * | * | trans | -71.8 | 87 | -179.4 | -72.6 | 0 | 0 | 0 | 0 | 112.4 | G324 S328 | G324-C326 PolarHBondContact O-N 2.73Å; C326-S328 PolarHBondContact O-N 3.1Å; C326-S328 PolarHBondContact O-OG 3.29Å | ||
| 327 | D | 36.9 | Very low | 40.6 | Very low | 137 Ų | 137 | 130.3 Ų | 130.3 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | trans | -62.7 | 94.6 | 163.7 | -90.6 | -10.7 | 0 | 0 | 0 | 110.2 | M325 K329 | M325-D327 PolarHBondContact O-N 3.06Å; D327-K329 PolarHBondContact O-N 3.06Å | ||
| 328 | S | 47.6 | Very low | 41.2 | Very low | 114 Ų | 114 | 128.6 Ų | 128.6 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | trans | -73.3 | 76.3 | 176.2 | -60.4 | 0 | 0 | 0 | 0 | 110.4 | C326 C330 | C326-S328 PolarHBondContact O-N 3.1Å; C326-S328 PolarHBondContact O-OG 3.29Å; S328-C330 PolarHBondContact O-N 3.21Å | ||
| 329 | K | 45 | Very low | 42.2 | Very low | 184 Ų | 184 | 132.7 Ų | 132.7 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | trans | -66.1 | 95 | 172.9 | -73.7 | -177.6 | -178.8 | 173.1 | 0 | 109.9 | D327 | D327-K329 PolarHBondContact O-N 3.06Š| ||
| 330 | C | 58.4 | Low | 42.8 | Very low | 69 Ų | 69 | 131.2 Ų | 131.2 | 47% | 0.466 | 76% | 0.761 | S | S | . | * | trans | -54.4 | 141.1 | 166.6 | -175.7 | 0 | 0 | 0 | 0 | 110 | S328 H332 | S328-C330 PolarHBondContact O-N 3.21Å; C330-H332 PolarHBondContact O-N 2.99Å; C330-H332 VanDerWaalsContact SG-CD2 3.51Å | ||
| 331 | C | 54.4 | Low | 43.5 | Very low | 127 Ų | 127 | 127.3 Ų | 127.3 | 86% | 0.858 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -71.6 | 26.9 | -172.3 | -53.3 | 0 | 0 | 0 | 0 | 115.1 | ||
| 332 | H | 50.2 | Low | 45.2 | Very low | 110 Ų | 110 | 126.5 Ų | 126.5 | 51% | 0.509 | 74% | 0.738 | S | S | . | * | S | Bend | trans | -104.8 | 124.9 | 176.7 | -64.4 | -38.1 | 0 | 0 | 0 | 109.7 | C330 S334 | C330-H332 PolarHBondContact O-N 2.99Å; C330-H332 VanDerWaalsContact SG-CD2 3.51Å; H332-S334 PolarHBondContact O-N 3.19Å |
| 333 | P | 46.3 | Very low | 46.3 | Very low | 102 Ų | 102 | 126.4 Ų | 126.4 | 66% | 0.662 | 74% | 0.737 | S | S | * | * | trans | -67.1 | 99.8 | 177.7 | 27.4 | -33.6 | 0 | 0 | 0 | 109.7 | N335 F336 | P333-N335 PolarHBondContact O-N 3Å; P333-N335 VanDerWaalsContact O-N 3.1Å; P333-F336 HydrophobicContact CG-CE2 4.03Å | ||
| 334 | S | 45.9 | Very low | 48.2 | Very low | 111 Ų | 111 | 124.2 Ų | 124.2 | 78% | 0.776 | 71% | 0.714 | S | S | * | * | trans | -82.2 | 23.2 | -170.2 | 45.1 | 0 | 0 | 0 | 0 | 114.8 | H332 | H332-S334 PolarHBondContact O-N 3.19Š| ||
| 335 | N | 46.6 | Very low | 50.3 | Low | 145 Ų | 145 | 123.9 Ų | 123.9 | 78% | 0.775 | 70% | 0.703 | S | S | * | * | trans | -147.1 | 83.7 | 171.5 | -88.1 | -45.9 | 0 | 0 | 0 | 110.9 | P333 | P333-N335 PolarHBondContact O-N 3Å; P333-N335 VanDerWaalsContact O-N 3.1Å | ||
| 336 | F | 46.5 | Very low | 51.8 | Low | 178 Ų | 178 | 122 Ų | 122 | 78% | 0.781 | 70% | 0.696 | S | S | * | * | trans | -96 | 98.9 | 152.7 | -90.7 | -84.6 | 0 | 0 | 0 | 108.1 | P333 I338 | P333-F336 HydrophobicContact CG-CE2 4.03Å; F336-I338 PolarHBondContact O-N 2.82Å | ||
| 337 | I | 45 | Very low | 53.6 | Low | 148 Ų | 148 | 121.7 Ų | 121.7 | 76% | 0.759 | 69% | 0.69 | S | S | * | * | trans | -69.6 | 109.7 | 162.8 | -60.3 | 173.7 | 0 | 0 | 0 | 105.7 | E339 | I337-E339 VanDerWaalsContact C-N 3.29Å; I337-E339 PolarHBondContact O-N 2.91Å | ||
| 338 | I | 46.2 | Very low | 55.4 | Low | 154 Ų | 154 | 119.4 Ų | 119.4 | 79% | 0.79 | 68% | 0.675 | S | S | * | * | trans | -75.7 | 93.8 | 164.8 | -58 | 177.2 | 0 | 0 | 0 | 105.6 | F336 A340 | F336-I338 PolarHBondContact O-N 2.82Å; I338-A340 PolarHBondContact O-N 3.41Å | ||
| 339 | E | 47.1 | Very low | 56.8 | Low | 170 Ų | 170 | 121.4 Ų | 121.4 | 79% | 0.794 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 126.4 | 170.2 | -166.3 | 168.4 | -147.2 | 0 | 0 | 108.1 | I337 P341 | I337-E339 VanDerWaalsContact C-N 3.29Å; I337-E339 PolarHBondContact O-N 2.91Å; E339-P341 WeakPolarHBondContact O-CD 3.45Å |
| 340 | A | 41 | Very low | 58.1 | Low | 86 Ų | 86 | 118.7 Ų | 118.7 | 71% | 0.711 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -63 | 125 | -176.3 | 0 | 0 | 0 | 0 | 0 | 109 | I338 G342 | I338-A340 PolarHBondContact O-N 3.41Å; A340-G342 PolarHBondContact O-N 3Å; A340-G342 VanDerWaalsContact O-N 3.11Å |
| 341 | P | 50.4 | Low | 58.5 | Low | 93 Ų | 93 | 118.5 Ų | 118.5 | 60% | 0.604 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 122.4 | 176.9 | -26.6 | 35.3 | 0 | 0 | 0 | 110.3 | E339 M344 | E339-P341 WeakPolarHBondContact O-CD 3.45Å; P341-M344 HydrophobicContact CB-CG 3.77Å; P341-M344 HydrophobicContact CB-SD 3.56Å; P341-M344 VanDerWaalsContact CB-SD 3.56Å; P341-M344 HydrophobicContact CG-SD 4.2Å |
| 342 | G | 66.8 | Low | 59.4 | Low | 66 Ų | 66 | 117.8 Ų | 117.8 | 68% | 0.68 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 158 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111 | A340 M344 | A340-G342 PolarHBondContact O-N 3Å; A340-G342 VanDerWaalsContact O-N 3.11Å; G342-M344 WeakPolarHBondContact O-CG 3.48Å; G342-M344 PolarHBondContact O-N 2.9Å |
| 343 | H | 54.4 | Low | 60.2 | Low | 191 Ų | 191 | 119.2 Ų | 119.2 | 88% | 0.884 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -22.2 | 90.8 | -172.3 | -174.5 | -65.2 | 0 | 0 | 0 | 115.2 | ||
| 344 | M | 73.9 | Confident | 61.1 | Low | 72 Ų | 72 | 121.4 Ų | 121.4 | 36% | 0.355 | 65% | 0.647 | S | S | . | * | trans | -81.5 | 148.8 | 176.6 | -58.2 | -154.5 | 81.2 | 0 | 0 | 110.7 | P341 G342 E348 | P341-M344 HydrophobicContact CB-CG 3.77Å; P341-M344 HydrophobicContact CB-SD 3.56Å; P341-M344 VanDerWaalsContact CB-SD 3.56Å; P341-M344 HydrophobicContact CG-SD 4.2Å; G342-M344 WeakPolarHBondContact O-CG 3.48Å; G342-M344 PolarHBondContact O-N 2.9Å; M344-E348 HydrophobicContact CE-CB 3.82Å | ||
| 345 | S | 78.1 | Confident | 61 | Low | 51 Ų | 51 | 122 Ų | 122 | 36% | 0.357 | 65% | 0.648 | S | S | . | * | trans | -78.7 | 152.9 | 171 | 68.8 | 0 | 0 | 0 | 0 | 111.7 | V347 E348 W349 | S345-V347 PolarHBondContact O-N 2.91Å; S345-V347 VanDerWaalsContact O-N 3.09Å; S345-E348 WeakPolarHBondContact CB-OE2 3.42Å; S345-E348 PolarHBondContact N-OE2 2.92Å; S345-E348 PolarHBondContact O-N 2.8Å; S345-E348 VanDerWaalsContact OG-CD 3.3Å; S345-E348 WeakPolarHBondContact OG-CG 3.46Å; S345-E348 PolarHBondContact OG-OE2 3.44Å; S345-W349 PolarHBondContact O-N 3.37Å | ||
| 346 | D | 69.5 | Low | 61.1 | Low | 134 Ų | 134 | 120.4 Ų | 120.4 | 72% | 0.717 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -53.6 | -33.5 | 177.9 | -67.2 | -12.3 | 0 | 0 | 0 | 112.7 | W349 M350 | D346-W349 PolarHBondContact O-N 3.49Å; D346-M350 WeakPolarHBondContact O-CB 3.34Å; D346-M350 VanDerWaalsContact O-CG 3.24Å; D346-M350 WeakPolarHBondContact O-CG 3.41Å; D346-M350 PolarHBondContact O-N 3.16Å |
| 347 | V | 75.9 | Confident | 61.3 | Low | 113 Ų | 113 | 122 Ų | 122 | 69% | 0.685 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -65.1 | -40.5 | 178.4 | 176 | 0 | 0 | 0 | 0 | 111.6 | S345 S351 | S345-V347 PolarHBondContact O-N 2.91Å; S345-V347 VanDerWaalsContact O-N 3.09Å; V347-S351 WeakPolarHBondContact O-CB 3.29Å; V347-S351 PolarHBondContact O-N 2.88Å |
| 348 | E | 74.9 | Confident | 61.4 | Low | 89 Ų | 89 | 123.9 Ų | 123.9 | 42% | 0.416 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -71.6 | -41.6 | 177.3 | -66.4 | 161.5 | 125.6 | 0 | 0 | 110.5 | M344 S345 M350 S351 I352 | M344-E348 HydrophobicContact CE-CB 3.82Å; S345-E348 WeakPolarHBondContact CB-OE2 3.42Å; S345-E348 PolarHBondContact N-OE2 2.92Å; S345-E348 PolarHBondContact O-N 2.8Å; S345-E348 VanDerWaalsContact OG-CD 3.3Å; S345-E348 WeakPolarHBondContact OG-CG 3.46Å; S345-E348 PolarHBondContact OG-OE2 3.44Å; E348-M350 PolarHBondContact O-N 3.18Å; E348-S351 WeakPolarHBondContact O-CB 3.43Å; E348-S351 PolarHBondContact O-N 3.26Å; E348-S351 VanDerWaalsContact O-N 3.11Å; E348-S351 PolarHBondContact O-OG 3.24Å; E348-I352 PolarHBondContact O-N 2.93Å |
| 349 | W | 77.1 | Confident | 61.1 | Low | 157 Ų | 157 | 124.9 Ų | 124.9 | 60% | 0.595 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -61.6 | -45.1 | 176.3 | -153.8 | 89.5 | 0 | 0 | 0 | 112.2 | S345 D346 S351 I352 F353 | S345-W349 PolarHBondContact O-N 3.37Å; D346-W349 PolarHBondContact O-N 3.49Å; W349-S351 PolarHBondContact O-N 3.09Å; W349-I352 PolarHBondContact O-N 2.87Å; W349-F353 HydrophobicContact CD2-CE2 4.18Å; W349-F353 HydrophobicContact CE3-CD2 4.14Å; W349-F353 AromaticContact CE3-CE2 3.82Å; W349-F353 HydrophobicContact CE3-CE2 3.82Å; W349-F353 AromaticContact CH2-CE2 3.64Å; W349-F353 HydrophobicContact CH2-CE2 3.64Å; W349-F353 HydrophobicContact CH2-CZ 4.13Å; W349-F353 AromaticContact CZ2-CE2 4Å; W349-F353 HydrophobicContact CZ2-CE2 4Å; W349-F353 HydrophobicContact CZ2-CZ 4.44Å; W349-F353 HydrophobicContact CZ3-CD2 4.02Å; W349-F353 AromaticContact CZ3-CE2 3.54Å; W349-F353 HydrophobicContact CZ3-CE2 3.54Å; W349-F353 HydrophobicContact CZ3-CZ 4.42Å; W349-F353 WeakPolarHBondContact O-CD2 3.41Å |
| 350 | M | 71.5 | Confident | 60.8 | Low | 127 Ų | 127 | 127.7 Ų | 127.7 | 63% | 0.626 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -66.5 | -21.8 | 175.4 | -72.5 | -174.4 | 79.5 | 0 | 0 | 113.6 | D346 E348 | D346-M350 WeakPolarHBondContact O-CB 3.34Å; D346-M350 VanDerWaalsContact O-CG 3.24Å; D346-M350 WeakPolarHBondContact O-CG 3.41Å; D346-M350 PolarHBondContact O-N 3.16Å; E348-M350 PolarHBondContact O-N 3.18Å |
| 351 | S | 66.7 | Low | 60.6 | Low | 65 Ų | 65 | 130.1 Ų | 130.1 | 46% | 0.455 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -76.8 | -25.7 | -179.8 | 76.8 | 0 | 0 | 0 | 0 | 113.2 | V347 E348 W349 F353 K354 | V347-S351 WeakPolarHBondContact O-CB 3.29Å; V347-S351 PolarHBondContact O-N 2.88Å; E348-S351 WeakPolarHBondContact O-CB 3.43Å; E348-S351 PolarHBondContact O-N 3.26Å; E348-S351 VanDerWaalsContact O-N 3.11Å; E348-S351 PolarHBondContact O-OG 3.24Å; W349-S351 PolarHBondContact O-N 3.09Å; S351-F353 PolarHBondContact O-N 3.3Å; S351-K354 PolarHBondContact O-N 2.96Å |
| 352 | I | 73.9 | Confident | 59.9 | Low | 111 Ų | 111 | 130.2 Ų | 130.2 | 57% | 0.569 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -60.1 | -36.1 | 172.6 | -59.1 | 169.1 | 0 | 0 | 0 | 111 | E348 W349 | E348-I352 PolarHBondContact O-N 2.93Å; W349-I352 PolarHBondContact O-N 2.87Å |
| 353 | F | 66.5 | Low | 58.6 | Low | 140 Ų | 140 | 138 Ų | 138 | 61% | 0.614 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | 3.8 | -176.9 | -60.6 | -77.3 | 0 | 0 | 0 | 114.2 | W349 S351 P355 | W349-F353 HydrophobicContact CD2-CE2 4.18Å; W349-F353 HydrophobicContact CE3-CD2 4.14Å; W349-F353 AromaticContact CE3-CE2 3.82Å; W349-F353 HydrophobicContact CE3-CE2 3.82Å; W349-F353 AromaticContact CH2-CE2 3.64Å; W349-F353 HydrophobicContact CH2-CE2 3.64Å; W349-F353 HydrophobicContact CH2-CZ 4.13Å; W349-F353 AromaticContact CZ2-CE2 4Å; W349-F353 HydrophobicContact CZ2-CE2 4Å; W349-F353 HydrophobicContact CZ2-CZ 4.44Å; W349-F353 HydrophobicContact CZ3-CD2 4.02Å; W349-F353 AromaticContact CZ3-CE2 3.54Å; W349-F353 HydrophobicContact CZ3-CE2 3.54Å; W349-F353 HydrophobicContact CZ3-CZ 4.42Å; W349-F353 WeakPolarHBondContact O-CD2 3.41Å; S351-F353 PolarHBondContact O-N 3.3Å; F353-P355 VanDerWaalsContact O-CD 3.28Å; F353-P355 WeakPolarHBondContact O-CD 3.39Å |
| 354 | K | 66.1 | Low | 57.7 | Low | 148 Ų | 148 | 136.3 Ų | 136.3 | 64% | 0.643 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -75.9 | 117.2 | 173 | -81.6 | 179.2 | 179.1 | 171.6 | 0 | 109.8 | S351 S356 | S351-K354 PolarHBondContact O-N 2.96Å; K354-S356 PolarHBondContact O-N 3.06Å |
| 355 | P | 43.4 | Very low | 56 | Low | 124 Ų | 124 | 142.5 Ų | 142.5 | 81% | 0.805 | 70% | 0.696 | S | S | * | * | trans | -66.8 | 108.1 | 173.3 | 27.6 | -32.9 | 0 | 0 | 0 | 109.1 | F353 | F353-P355 VanDerWaalsContact O-CD 3.28Å; F353-P355 WeakPolarHBondContact O-CD 3.39Å | ||
| 356 | S | 47.8 | Very low | 54.4 | Low | 112 Ų | 112 | 145 Ų | 145 | 78% | 0.783 | 71% | 0.714 | S | S | * | * | trans | -64.2 | 136.2 | 173 | 56 | 0 | 0 | 0 | 0 | 109.5 | K354 M358 | K354-S356 PolarHBondContact O-N 3.06Å; S356-M358 PolarHBondContact O-N 3.01Å | ||
| 357 | K | 50.5 | Low | 53 | Low | 211 Ų | 211 | 141.3 Ų | 141.3 | 92% | 0.917 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -68.8 | 107 | -177.3 | -72.7 | -178.4 | 178.5 | 178.3 | 0 | 110 | ||
| 358 | M | 48.6 | Very low | 51.5 | Low | 187 Ų | 187 | 139.3 Ų | 139.3 | 92% | 0.921 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 67 | 70.1 | 151.9 | -161.6 | 157.7 | 171.8 | 0 | 0 | 116.9 | S356 | S356-M358 PolarHBondContact O-N 3.01Š|
| 359 | Q | 38.2 | Very low | 50.2 | Low | 176 Ų | 176 | 141.9 Ų | 141.9 | 82% | 0.822 | 72% | 0.72 | S | S | * | * | trans | -139.7 | 109.4 | 141.1 | -124 | 173.6 | 6.2 | 0 | 0 | 110.4 | I361 | Q359-I361 VanDerWaalsContact C-N 3.33Å; Q359-I361 PolarHBondContact O-N 2.92Å | ||
| 360 | R | 40.7 | Very low | 48.5 | Very low | 229 Ų | 229 | 138.6 Ų | 138.6 | 86% | 0.864 | 72% | 0.72 | S | S | * | * | trans | -75.7 | 85.2 | 179.6 | -173.9 | -164.8 | -65 | 157.5 | -0.8 | 108.9 | V362 | R360-V362 HydrophobicContact CG-CG2 3.9Å; R360-V362 PolarHBondContact O-N 3.25Å | ||
| 361 | I | 37.6 | Very low | 47.4 | Very low | 136 Ų | 136 | 138 Ų | 138 | 70% | 0.697 | 73% | 0.728 | S | S | * | * | trans | -69.8 | 87.2 | 167.1 | -55.4 | 178.8 | 0 | 0 | 0 | 107.6 | Q359 R363 | Q359-I361 VanDerWaalsContact C-N 3.33Å; Q359-I361 PolarHBondContact O-N 2.92Å; I361-R363 VanDerWaalsContact C-N 3.34Å; I361-R363 HydrophobicContact CG2-CG 4.33Å; I361-R363 PolarHBondContact O-N 3.14Å | ||
| 362 | V | 36.2 | Very low | 46.1 | Very low | 96 Ų | 96 | 143.2 Ų | 143.2 | 58% | 0.582 | 75% | 0.745 | S | S | * | * | trans | -64.5 | 101.2 | 160.5 | 180 | 0 | 0 | 0 | 0 | 105.7 | R360 L364 | R360-V362 HydrophobicContact CG-CG2 3.9Å; R360-V362 PolarHBondContact O-N 3.25Å; V362-L364 VanDerWaalsContact C-N 3.25Å; V362-L364 PolarHBondContact O-N 3Å | ||
| 363 | R | 39.9 | Very low | 44.2 | Very low | 229 Ų | 229 | 143.8 Ų | 143.8 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | trans | -65.2 | 95.2 | 164.7 | -77.4 | -171.5 | 172.4 | 98.8 | -3.4 | 107.1 | I361 K365 | I361-R363 VanDerWaalsContact C-N 3.34Å; I361-R363 HydrophobicContact CG2-CG 4.33Å; I361-R363 PolarHBondContact O-N 3.14Å; R363-K365 PolarHBondContact O-N 3.01Å | ||
| 364 | L | 35.6 | Very low | 42.8 | Very low | 155 Ų | 155 | 144 Ų | 144 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | trans | -54.7 | 124.2 | 167.2 | -80.1 | 161.5 | 0 | 0 | 0 | 107.7 | V362 S366 | V362-L364 VanDerWaalsContact C-N 3.25Å; V362-L364 PolarHBondContact O-N 3Å; L364-S366 PolarHBondContact O-N 3.15Å | ||
| 365 | K | 38.2 | Very low | 41.4 | Very low | 202 Ų | 202 | 143.3 Ų | 143.3 | 88% | 0.878 | 78% | 0.778 | S | S | * | * | trans | -66.3 | 96.5 | 175.3 | -179.3 | -179.9 | 178.1 | -179.7 | 0 | 108 | R363 G367 | R363-K365 PolarHBondContact O-N 3.01Å; K365-G367 VanDerWaalsContact C-N 3.31Å; K365-G367 PolarHBondContact O-N 2.85Å | ||
| 366 | S | 43.4 | Very low | 40.7 | Very low | 103 Ų | 103 | 140.7 Ų | 140.7 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | trans | -66.5 | 89.8 | 169.6 | 58.5 | 0 | 0 | 0 | 0 | 108.9 | L364 C368 | L364-S366 PolarHBondContact O-N 3.15Å; S366-C368 PolarHBondContact O-N 2.95Å | ||
| 367 | G | 40 | Very low | 39.9 | Very low | 57 Ų | 57 | 141.5 Ų | 141.5 | 59% | 0.588 | 77% | 0.773 | S | S | * | * | trans | -70.1 | 125.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | K365 T369 | K365-G367 VanDerWaalsContact C-N 3.31Å; K365-G367 PolarHBondContact O-N 2.85Å; G367-T369 PolarHBondContact O-N 3.32Å | ||
| 368 | C | 43.8 | Very low | 39.2 | Very low | 71 Ų | 71 | 138.4 Ų | 138.4 | 48% | 0.48 | 76% | 0.762 | S | S | . | * | trans | -69.6 | 116.6 | 169.6 | -174 | 0 | 0 | 0 | 0 | 108.8 | S366 C370 | S366-C368 PolarHBondContact O-N 2.95Å; C368-C370 HydrophobicContact CB-CB 4.48Å; C368-C370 WeakPolarHBondContact CB-SG 3.09Å; C368-C370 PolarHBondContact O-N 3.23Å; C368-C370 VanDerWaalsContact O-N 3.13Å; C368-C370 WeakPolarHBondContact SG-CB 3.49Å; C368-C370 CovalentContact SG-SG 2.05Å; C368-C370 PolarHBondContact SG-SG 3.23Å | ||
| 369 | T | 48.2 | Very low | 38.3 | Very low | 143 Ų | 143 | 136.5 Ų | 136.5 | 88% | 0.877 | 75% | 0.75 | S | S | * | * | trans | -85.1 | 48.5 | 170 | 52.6 | 0 | 0 | 0 | 0 | 110.5 | G367 S371 | G367-T369 PolarHBondContact O-N 3.32Å; T369-S371 PolarHBondContact O-N 3.32Å | ||
| 370 | C | 42.4 | Very low | 37.9 | Very low | 88 Ų | 88 | 134.7 Ų | 134.7 | 60% | 0.595 | 75% | 0.746 | S | S | * | * | trans | -90.7 | 82.6 | 178.7 | 34.5 | 0 | 0 | 0 | 0 | 110.4 | C368 | C368-C370 HydrophobicContact CB-CB 4.48Å; C368-C370 WeakPolarHBondContact CB-SG 3.09Å; C368-C370 PolarHBondContact O-N 3.23Å; C368-C370 VanDerWaalsContact O-N 3.13Å; C368-C370 WeakPolarHBondContact SG-CB 3.49Å; C368-C370 CovalentContact SG-SG 2.05Å; C368-C370 PolarHBondContact SG-SG 3.23Å | ||
| 371 | S | 48.3 | Very low | 37.4 | Very low | 115 Ų | 115 | 129.4 Ų | 129.4 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | trans | -137.5 | 150.8 | 171.6 | -70.8 | 0 | 0 | 0 | 0 | 111.2 | T369 | T369-S371 PolarHBondContact O-N 3.32Š| ||
| 372 | E | 39.7 | Very low | 37.7 | Very low | 175 Ų | 175 | 129.1 Ų | 129.1 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | 76.2 | 76.4 | 158.2 | -152.3 | 158.4 | -121.7 | 0 | 0 | 118 | I374 | E372-I374 HydrophobicContact CG-CG1 4.28Š| ||
| 373 | S | 33.2 | Very low | 37.1 | Very low | 122 Ų | 122 | 129.1 Ų | 129.1 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | trans | -92.5 | 89.8 | 157 | 64.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 374 | I | 36.2 | Very low | 36.7 | Very low | 144 Ų | 144 | 123.8 Ų | 123.8 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | trans | -70.5 | 124.9 | 157.6 | -65.2 | 173.3 | 0 | 0 | 0 | 106.8 | E372 G376 | E372-I374 HydrophobicContact CG-CG1 4.28Å; I374-G376 PolarHBondContact O-N 3.49Å | ||
| 375 | C | 37.3 | Very low | 36.3 | Very low | 135 Ų | 135 | 125.7 Ų | 125.7 | 91% | 0.912 | 76% | 0.764 | S | S | * | * | trans | -70.7 | 114.7 | 178.6 | -170.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 376 | G | 29.6 | Very low | 35.9 | Very low | 68 Ų | 68 | 123.8 Ų | 123.8 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | trans | -142.4 | 108.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | I374 | I374-G376 PolarHBondContact O-N 3.49Š| ||
| 377 | T | 30.7 | Very low | 35.3 | Very low | 129 Ų | 129 | 126.8 Ų | 126.8 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | -31.8 | 134.5 | 177.5 | 24.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 378 | Q | 34.9 | Very low | 34.7 | Very low | 146 Ų | 146 | 128.1 Ų | 128.1 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | trans | 56.3 | 111.7 | 134.5 | -62.3 | -86 | 54.7 | 0 | 0 | 119.3 | ||||
| 379 | H | 30.3 | Very low | 34.2 | Very low | 147 Ų | 147 | 132.3 Ų | 132.3 | 68% | 0.681 | 79% | 0.791 | S | S | * | * | 174.4 | 133.2 | 96.4 | -96.1 | -73.8 | 0 | 0 | 0 | 113 | |||||
| 380 | D | 29.7 | Very low | 33.2 | Very low | 138 Ų | 138 | 134.1 Ų | 134.1 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | trans | 47.1 | 122.1 | 144.8 | -49.3 | -36 | 0 | 0 | 0 | 122.6 | ||||
| 381 | S | 29.1 | Very low | 32.6 | Very low | 118 Ų | 118 | 136.8 Ų | 136.8 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | -87.2 | 156.3 | 158 | -46.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 382 | P | 44 | Very low | 31.6 | Very low | 131 Ų | 131 | 135.9 Ų | 135.9 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | -144.9 | -167.3 | 72.1 | 43.5 | -24.8 | 0 | 0 | 0 | 111.5 | |||||
| 383 | A | 25.2 | Very low | 31.1 | Very low | 96 Ų | 96 | 135.9 Ų | 135.9 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | cis | -148.7 | 172.3 | 6.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 384 | S | 31.3 | Very low | 30.8 | Very low | 116 Ų | 116 | 134.8 Ų | 134.8 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | trans | -59.1 | 148.7 | 176.2 | -48.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 385 | E | 26.4 | Very low | 30.5 | Very low | 196 Ų | 196 | 136.4 Ų | 136.4 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | -161.2 | 132.1 | 122.6 | -113.1 | 170.6 | -161.9 | 0 | 0 | 112.7 | |||||
| 386 | L | 31 | Very low | 29.9 | Very low | 162 Ų | 162 | 133.8 Ų | 133.8 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | trans | -82.8 | 144.1 | 161.6 | -87.7 | 151.4 | 0 | 0 | 0 | 107.9 | ||||
| 387 | I | 30.2 | Very low | 29.9 | Very low | 165 Ų | 165 | 135.8 Ų | 135.8 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | 178.5 | 148.5 | 135.3 | -96.4 | 153.9 | 0 | 0 | 0 | 113.5 | ||||
| 388 | A | 26.2 | Very low | 29.8 | Very low | 86 Ų | 86 | 134.5 Ų | 134.5 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | 55.4 | 122.6 | 157.5 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 389 | I | 35.2 | Very low | 29.4 | Very low | 159 Ų | 159 | 136.8 Ų | 136.8 | 82% | 0.815 | 80% | 0.796 | S | S | * | * | trans | -56.9 | 134.8 | 142.5 | -61.5 | 157.5 | 0 | 0 | 0 | 109.4 | ||||
| 390 | Q | 26.8 | Very low | 29.1 | Very low | 181 Ų | 181 | 135.4 Ų | 135.4 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | -146 | 114.1 | 155.3 | -159 | 171.1 | 27.7 | 0 | 0 | 111.7 | ||||
| 391 | D | 28.9 | Very low | 29 | Very low | 143 Ų | 143 | 133.5 Ų | 133.5 | 77% | 0.765 | 81% | 0.806 | S | S | * | * | trans | -70.3 | 138.2 | 163.2 | -70.4 | -62.6 | 0 | 0 | 0 | 110.2 | ||||
| 392 | S | 28 | Very low | 28.8 | Very low | 97 Ų | 97 | 135.4 Ų | 135.4 | 68% | 0.678 | 81% | 0.806 | S | S | * | * | trans | -176.5 | 121.7 | 135.2 | 31.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 393 | H | 28.1 | Very low | 28.3 | Very low | 174 Ų | 174 | 138.5 Ų | 138.5 | 81% | 0.806 | 80% | 0.801 | S | S | * | * | trans | 25.2 | 119 | 134.1 | -55.3 | -73.3 | 0 | 0 | 0 | 122.3 | ||||
| 394 | S | 27.3 | Very low | 28.5 | Very low | 99 Ų | 99 | 140 Ų | 140 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | 83.8 | 129.2 | 118.8 | 73.7 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 395 | L | 31.4 | Very low | 28.3 | Very low | 178 Ų | 178 | 140.1 Ų | 140.1 | 93% | 0.932 | 78% | 0.783 | S | S | * | * | trans | 64.8 | 125.3 | 144.4 | -63.5 | 165 | 0 | 0 | 0 | 119.7 | ||||
| 396 | G | 24.2 | Very low | 28.5 | Very low | 81 Ų | 81 | 138.3 Ų | 138.3 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | trans | 173.3 | 61.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 397 | S | 29.1 | Very low | 28.5 | Very low | 110 Ų | 110 | 137.3 Ų | 137.3 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | -1.4 | 139.8 | 155.2 | -159.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 398 | S | 28.3 | Very low | 28.4 | Very low | 102 Ų | 102 | 137.8 Ų | 137.8 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | trans | 89.5 | 102.9 | 140.2 | -68.1 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 399 | K | 26.9 | Very low | 28.5 | Very low | 194 Ų | 194 | 138.2 Ų | 138.2 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | 72.9 | 145.6 | 104.8 | -153.8 | 175.4 | -174.6 | -177.9 | 0 | 121.5 | |||||
| 400 | S | 24.8 | Very low | 28.1 | Very low | 118 Ų | 118 | 136.1 Ų | 136.1 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | trans | 80.9 | 147.7 | 173.7 | 79.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 401 | A | 26.7 | Very low | 28.2 | Very low | 97 Ų | 97 | 132.6 Ų | 132.6 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | cis | -133.2 | 152.2 | 7.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 402 | L | 25.9 | Very low | 28.2 | Very low | 159 Ų | 159 | 132.3 Ų | 132.3 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | trans | -110.4 | 140.9 | 167.8 | 178.9 | 74 | 0 | 0 | 0 | 107.7 | ||||
| 403 | R | 33.1 | Very low | 28.5 | Very low | 196 Ų | 196 | 136.9 Ų | 136.9 | 74% | 0.74 | 77% | 0.773 | S | S | * | * | trans | -132.2 | 127.8 | 161.4 | -65.5 | -72.9 | -81.9 | 179.4 | -4.8 | 104.9 | ||||
| 404 | E | 28.1 | Very low | 28.7 | Very low | 126 Ų | 126 | 136 Ų | 136 | 59% | 0.589 | 77% | 0.767 | S | S | * | * | 58 | 119.2 | 70.1 | -65.9 | 174.9 | 161.9 | 0 | 0 | 109.4 | |||||
| 405 | D | 28.6 | Very low | 28.7 | Very low | 120 Ų | 120 | 138.5 Ų | 138.5 | 64% | 0.642 | 77% | 0.772 | S | S | * | * | cis | -155.6 | 155.6 | 18.7 | -100.3 | -28.3 | 0 | 0 | 0 | 115.8 | ||||
| 406 | E | 30.1 | Very low | 28.4 | Very low | 157 Ų | 157 | 135.6 Ų | 135.6 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | trans | 57.5 | 129.2 | 134.9 | -64 | 176.2 | 149.9 | 0 | 0 | 123.5 | ||||
| 407 | T | 31.3 | Very low | 29.8 | Very low | 142 Ų | 142 | 137.5 Ų | 137.5 | 87% | 0.871 | 76% | 0.764 | S | S | * | * | -160.6 | 118.5 | 106.3 | -67 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 408 | E | 27.7 | Very low | 29.8 | Very low | 174 Ų | 174 | 138.3 Ų | 138.3 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | -76.1 | 170.2 | 172.2 | -53.6 | -166.1 | 130.8 | 0 | 0 | 111.1 | ||||
| 409 | S | 28 | Very low | 29.8 | Very low | 96 Ų | 96 | 138.2 Ų | 138.2 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | cis | -177 | 148.9 | 42.4 | 49.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 410 | S | 27.4 | Very low | 30 | Very low | 114 Ų | 114 | 135.9 Ų | 135.9 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | trans | 67.2 | 153.3 | 148 | 88.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 411 | S | 29.1 | Very low | 30.3 | Very low | 107 Ų | 107 | 137.2 Ų | 137.2 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | cis | -147.5 | 116.6 | 9.6 | 53.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 412 | N | 29.3 | Very low | 30.3 | Very low | 138 Ų | 138 | 139.2 Ų | 139.2 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | 35.1 | 112.1 | 129.3 | -164.5 | 4.1 | 0 | 0 | 0 | 122 | |||||
| 413 | K | 32.6 | Very low | 30.4 | Very low | 192 Ų | 192 | 141 Ų | 141 | 84% | 0.835 | 75% | 0.75 | S | S | * | * | -160.6 | 101.4 | 124.9 | -123.9 | 174.2 | -178.2 | 172.6 | 0 | 116.1 | |||||
| 414 | K | 32.2 | Very low | 30.1 | Very low | 156 Ų | 156 | 141.4 Ų | 141.4 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | 60.9 | 111.8 | 129.3 | -71.4 | -166.8 | 177.6 | -170.4 | 0 | 122.7 | |||||
| 415 | N | 27.8 | Very low | 30.1 | Very low | 151 Ų | 151 | 141.6 Ų | 141.6 | 81% | 0.807 | 76% | 0.763 | S | S | * | * | 111 | 124.5 | 129.7 | -58.2 | -7.3 | 0 | 0 | 0 | 119.3 | |||||
| 416 | S | 26.4 | Very low | 30.2 | Very low | 118 Ų | 118 | 140.2 Ų | 140.2 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | -131.5 | -169.4 | 169.3 | -53.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 417 | P | 52.9 | Low | 30.6 | Very low | 120 Ų | 120 | 139 Ų | 139 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | -128.1 | 176.5 | -63.1 | 36.5 | -20.8 | 0 | 0 | 0 | 112.9 | |||||
| 418 | T | 28.6 | Very low | 30.8 | Very low | 127 Ų | 127 | 136.4 Ų | 136.4 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | trans | -156.9 | 114.4 | 166.3 | -43.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 419 | S | 28.3 | Very low | 30.7 | Very low | 100 Ų | 100 | 137.3 Ų | 137.3 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | 56.3 | 142.7 | 78.3 | 115.2 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 420 | L | 30.4 | Very low | 30.9 | Very low | 145 Ų | 145 | 138.6 Ų | 138.6 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | cis | -161.9 | 150 | -8.4 | -119.5 | 167.2 | 0 | 0 | 0 | 108.7 | ||||
| 421 | L | 30.9 | Very low | 31 | Very low | 146 Ų | 146 | 139.5 Ų | 139.5 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | trans | 9.9 | 152.1 | 151.4 | -85.3 | 170.9 | 0 | 0 | 0 | 124.6 | ||||
| 422 | I | 27.8 | Very low | 31.4 | Very low | 139 Ų | 139 | 143 Ų | 143 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | trans | 114.1 | 112.6 | 143.4 | -74.4 | 145.8 | 0 | 0 | 0 | 120.5 | ||||
| 423 | Y | 27.4 | Very low | 31.5 | Very low | 196 Ų | 196 | 140.6 Ų | 140.6 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | 32.4 | 135.8 | 145.1 | -72.7 | -99.4 | 0 | 0 | 0 | 123.6 | ||||
| 424 | K | 27.8 | Very low | 31.3 | Very low | 205 Ų | 205 | 136.9 Ų | 136.9 | 89% | 0.891 | 76% | 0.758 | S | S | * | * | -164.6 | 147.6 | 101.9 | -119.6 | -173.4 | 175.9 | -172.8 | 0 | 115.7 | |||||
| 425 | D | 26.9 | Very low | 31.6 | Very low | 131 Ų | 131 | 136.2 Ų | 136.2 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | trans | -82.3 | 153.6 | 175.1 | -68.2 | -68.6 | 0 | 0 | 0 | 114.6 | ||||
| 426 | A | 31.8 | Very low | 32 | Very low | 90 Ų | 90 | 134.6 Ų | 134.6 | 74% | 0.744 | 76% | 0.756 | S | S | * | * | trans | 38.3 | 153.2 | 138.1 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 427 | P | 38.9 | Very low | 32.3 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | -131.4 | 162.3 | 85.3 | 37.4 | -27.8 | 0 | 0 | 0 | 114.8 | |||||
| 428 | A | 33.7 | Very low | 31.6 | Very low | 87 Ų | 87 | 135.7 Ų | 135.7 | 72% | 0.719 | 75% | 0.752 | S | S | * | * | trans | -91.1 | 166.9 | -172 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 429 | F | 26.2 | Very low | 32.3 | Very low | 192 Ų | 192 | 134 Ų | 134 | 84% | 0.842 | 75% | 0.745 | S | S | * | * | trans | -143.7 | 162.6 | 139.4 | -123.6 | -96.7 | 0 | 0 | 0 | 110.1 | ||||
| 430 | N | 31.7 | Very low | 33 | Very low | 123 Ų | 123 | 138.2 Ų | 138.2 | 66% | 0.658 | 75% | 0.754 | S | S | * | * | trans | -65.3 | 174.8 | -175.8 | 55.5 | 23.5 | 0 | 0 | 0 | 113 | ||||
| 431 | E | 29.7 | Very low | 33.5 | Very low | 134 Ų | 134 | 133.6 Ų | 133.6 | 63% | 0.626 | 73% | 0.73 | S | S | * | * | cis | -163.3 | 153.9 | 32.9 | -173.3 | 174.5 | 173.9 | 0 | 0 | 112 | ||||
| 432 | K | 38.1 | Very low | 34.3 | Very low | 180 Ų | 180 | 134.1 Ų | 134.1 | 78% | 0.783 | 73% | 0.733 | S | S | * | * | trans | 15 | 105 | 162.5 | -59.6 | 164 | -171.4 | 146.5 | 0 | 119.5 | ||||
| 433 | A | 32 | Very low | 36 | Very low | 87 Ų | 87 | 132.3 Ų | 132.3 | 72% | 0.719 | 72% | 0.72 | S | S | * | * | trans | -173.5 | 92.5 | 135.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | I435 | A433-I435 PolarHBondContact O-N 2.92Š| ||
| 434 | S | 28 | Very low | 38.3 | Very low | 115 Ų | 115 | 126.9 Ų | 126.9 | 80% | 0.804 | 71% | 0.712 | S | S | * | * | trans | -81.2 | 86.5 | 171.9 | -162.6 | 0 | 0 | 0 | 0 | 109.9 | V436 | S434-V436 VanDerWaalsContact C-N 3.31Å; S434-V436 PolarHBondContact O-N 2.83Å | ||
| 435 | I | 37.3 | Very low | 40.7 | Very low | 141 Ų | 141 | 122.4 Ų | 122.4 | 72% | 0.723 | 70% | 0.703 | S | S | * | * | trans | -73 | 93.1 | 164.3 | -58.5 | 177.1 | 0 | 0 | 0 | 106.7 | A433 L437 | A433-I435 PolarHBondContact O-N 2.92Å; I435-L437 HydrophobicContact CG2-CD1 4.21Å; I435-L437 PolarHBondContact O-N 2.05Å | ||
| 436 | V | 37.3 | Very low | 43.5 | Very low | 118 Ų | 118 | 120.5 Ų | 120.5 | 72% | 0.715 | 70% | 0.697 | S | S | * | * | trans | -72.7 | 97.9 | 170 | 178.9 | 0 | 0 | 0 | 0 | 107.6 | S434 | S434-V436 VanDerWaalsContact C-N 3.31Å; S434-V436 PolarHBondContact O-N 2.83Å | ||
| 437 | L | 32.1 | Very low | 46 | Very low | 138 Ų | 138 | 118.1 Ų | 118.1 | 72% | 0.723 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 133.5 | 158.4 | -84.4 | 85.3 | 0 | 0 | 0 | 107.7 | I435 S439 | I435-L437 HydrophobicContact CG2-CD1 4.21Å; I435-L437 PolarHBondContact O-N 2.05Å; L437-S439 PolarHBondContact O-N 3.3Å; L437-S439 VanDerWaalsContact O-N 3.17Å |
| 438 | P | 39 | Very low | 48.4 | Very low | 123 Ų | 123 | 116.5 Ų | 116.5 | 80% | 0.799 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 117.2 | 168.9 | -10 | 24.4 | 0 | 0 | 0 | 108.4 | ||
| 439 | S | 41.9 | Very low | 51.1 | Low | 90 Ų | 90 | 117.2 Ų | 117.2 | 63% | 0.629 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 147.4 | 165.8 | 47 | 0 | 0 | 0 | 0 | 110.1 | L437 D441 | L437-S439 PolarHBondContact O-N 3.3Å; L437-S439 VanDerWaalsContact O-N 3.17Å; S439-D441 PolarHBondContact O-N 3.47Å |
| 440 | Q | 44.6 | Very low | 54.3 | Low | 189 Ų | 189 | 114 Ų | 114 | 88% | 0.883 | 63% | 0.633 | S | S | * | * | trans | -62.4 | 102.4 | 172.2 | -115.9 | 170.3 | -24.4 | 0 | 0 | 109.7 | D442 | Q440-D442 PolarHBondContact O-N 2.83Š| ||
| 441 | D | 40.8 | Very low | 57.3 | Low | 48 Ų | 48 | 113.6 Ų | 113.6 | 26% | 0.257 | 62% | 0.622 | S | S | . | * | trans | -80.5 | 82.1 | -178.3 | -86.4 | 4 | 0 | 0 | 0 | 111.6 | S439 F443 R451 | S439-D441 PolarHBondContact O-N 3.47Å; D441-F443 HydrophobicContact CB-CD2 3.6Å; D441-F443 HydrophobicContact CB-CE2 4Å; D441-F443 HydrophobicContact CB-CG 4.38Å; D441-F443 PolarHBondContact O-N 2.92Å; D441-F443 WeakPolarHBondContact OD1-CE2 3.07Å; D441-F443 VanDerWaalsContact OD2-CD2 3.32Å; D441-F443 WeakPolarHBondContact OD2-CD2 3.38Å; D441-F443 VanDerWaalsContact OD2-CE2 3.31Å; D441-F443 WeakPolarHBondContact OD2-CE2 3.39Å; D441-R451 IonicContact OD2-CZ 3.28Å; D441-R451 VanDerWaalsContact OD2-CZ 3.22Å; D441-R451 IonicContact OD2-NH1 3.22Å; D441-R451 PolarHBondContact OD2-NH1 3.39Å; D441-R451 IonicContact OD2-NH2 3.92Å; D441-R451 PolarHBondContact OD2-NH2 3.08Å | ||
| 442 | D | 47.5 | Very low | 60.4 | Low | 157 Ų | 157 | 112.3 Ų | 112.3 | 84% | 0.84 | 62% | 0.619 | S | S | * | * | trans | -70.5 | 48.5 | 162 | -79.3 | -30.9 | 0 | 0 | 0 | 111.7 | Q440 | Q440-D442 PolarHBondContact O-N 2.83Š| ||
| 443 | F | 62.8 | Low | 63.1 | Low | 101 Ų | 101 | 107.3 Ų | 107.3 | 44% | 0.443 | 60% | 0.6 | S | S | . | * | trans | -84.6 | 125.6 | 175.4 | -71.7 | -43.2 | 0 | 0 | 0 | 111.1 | D441 K448 | D441-F443 HydrophobicContact CB-CD2 3.6Å; D441-F443 HydrophobicContact CB-CE2 4Å; D441-F443 HydrophobicContact CB-CG 4.38Å; D441-F443 PolarHBondContact O-N 2.92Å; D441-F443 WeakPolarHBondContact OD1-CE2 3.07Å; D441-F443 VanDerWaalsContact OD2-CD2 3.32Å; D441-F443 WeakPolarHBondContact OD2-CD2 3.38Å; D441-F443 VanDerWaalsContact OD2-CE2 3.31Å; D441-F443 WeakPolarHBondContact OD2-CE2 3.39Å; F443-K448 HydrophobicContact CB-CG 4.41Å; F443-K448 VanDerWaalsContact O-CE 3.28Å; F443-K448 WeakPolarHBondContact O-CE 3.32Å | ||
| 444 | S | 75.9 | Confident | 66 | Low | 83 Ų | 83 | 106 Ų | 106 | 58% | 0.58 | 59% | 0.589 | S | S | * | * | trans | -45.6 | 147.1 | 173.1 | -54.4 | 0 | 0 | 0 | 0 | 111.9 | T446 S447 K448 | S444-T446 PolarHBondContact O-N 2.84Å; S444-S447 WeakPolarHBondContact O-CB 3.44Å; S444-S447 PolarHBondContact O-N 3.14Å; S444-K448 PolarHBondContact O-N 3.42Å | ||
| 445 | P | 78.1 | Confident | 69.2 | Low | 110 Ų | 110 | 105.8 Ų | 105.8 | 71% | 0.714 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -48.5 | -37.4 | -175.8 | -30.9 | 35.6 | 0 | 0 | 0 | 114.6 | S447 K448 L449 | P445-S447 PolarHBondContact O-N 2.89Å; P445-K448 PolarHBondContact O-N 3.37Å; P445-L449 PolarHBondContact O-N 3.42Å |
| 446 | T | 85.8 | Confident | 71.9 | Confident | 92 Ų | 92 | 102.2 Ų | 102.2 | 56% | 0.564 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -59.8 | -39 | 175.8 | -42.5 | 0 | 0 | 0 | 0 | 113.8 | S444 L449 Q450 | S444-T446 PolarHBondContact O-N 2.84Å; T446-L449 PolarHBondContact O-N 3.45Å; T446-Q450 WeakPolarHBondContact O-CB 3.41Å; T446-Q450 VanDerWaalsContact O-CG 3.28Å; T446-Q450 WeakPolarHBondContact O-CG 3.47Å; T446-Q450 PolarHBondContact O-N 3.23Å |
| 447 | S | 83.6 | Confident | 74.7 | Confident | 40 Ų | 40 | 104.5 Ų | 104.5 | 28% | 0.28 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -73.1 | -38.3 | 179.6 | 166.7 | 0 | 0 | 0 | 0 | 111.3 | S444 P445 L449 Q450 R451 | S444-S447 WeakPolarHBondContact O-CB 3.44Å; S444-S447 PolarHBondContact O-N 3.14Å; P445-S447 PolarHBondContact O-N 2.89Å; S447-L449 PolarHBondContact O-N 3.41Å; S447-Q450 PolarHBondContact O-N 2.97Å; S447-R451 WeakPolarHBondContact O-CB 3.41Å; S447-R451 PolarHBondContact O-N 2.96Å |
| 448 | K | 90.2 | Very high | 77.7 | Confident | 99 Ų | 99 | 103 Ų | 103 | 43% | 0.43 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.1 | -45.1 | 170.9 | -67.4 | -179.1 | 178.9 | 175.5 | 0 | 111.1 | F443 S444 P445 R451 L452 | F443-K448 HydrophobicContact CB-CG 4.41Å; F443-K448 VanDerWaalsContact O-CE 3.28Å; F443-K448 WeakPolarHBondContact O-CE 3.32Å; S444-K448 PolarHBondContact O-N 3.42Å; P445-K448 PolarHBondContact O-N 3.37Å; K448-R451 PolarHBondContact O-N 3.21Å; K448-L452 WeakPolarHBondContact O-CG 3.35Å; K448-L452 PolarHBondContact O-N 3.33Å |
| 449 | L | 90.9 | Very high | 80.3 | Confident | 101 Ų | 101 | 103.2 Ų | 103.2 | 53% | 0.529 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.1 | -43.7 | 174.8 | -179.7 | 61.7 | 0 | 0 | 0 | 112.6 | P445 T446 S447 R451 L452 L453 | P445-L449 PolarHBondContact O-N 3.42Å; T446-L449 PolarHBondContact O-N 3.45Å; S447-L449 PolarHBondContact O-N 3.41Å; L449-R451 PolarHBondContact O-N 3.07Å; L449-L452 PolarHBondContact O-N 3.03Å; L449-L453 HydrophobicContact CD1-CD1 4.06Å; L449-L453 HydrophobicContact CD1-CG 4.1Å; L449-L453 HydrophobicContact CG-CD1 3.91Å; L449-L453 HydrophobicContact CG-CG 4.38Å; L449-L453 WeakPolarHBondContact O-CB 3.38Å; L449-L453 VanDerWaalsContact O-CG 3.25Å; L449-L453 WeakPolarHBondContact O-CG 3.49Å; L449-L453 PolarHBondContact O-N 3.13Å |
| 450 | Q | 92.9 | Very high | 82.6 | Confident | 126 Ų | 126 | 102.3 Ų | 102.3 | 59% | 0.589 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.9 | -41.1 | 177.1 | -78.5 | 172.5 | -16 | 0 | 0 | 112.3 | T446 S447 L453 A454 | T446-Q450 WeakPolarHBondContact O-CB 3.41Å; T446-Q450 VanDerWaalsContact O-CG 3.28Å; T446-Q450 WeakPolarHBondContact O-CG 3.47Å; T446-Q450 PolarHBondContact O-N 3.23Å; S447-Q450 PolarHBondContact O-N 2.97Å; Q450-L453 PolarHBondContact O-N 3.35Å; Q450-A454 WeakPolarHBondContact O-CB 3.41Å; Q450-A454 PolarHBondContact O-N 2.89Å |
| 451 | R | 94.8 | Very high | 84.6 | Confident | 113 Ų | 113 | 96 Ų | 96 | 43% | 0.426 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.7 | -51.2 | 173.8 | 171.9 | 163.9 | 53.1 | -171.6 | -7.1 | 111.5 | D441 S447 K448 L449 L453 A454 E455 | D441-R451 IonicContact OD2-CZ 3.28Å; D441-R451 VanDerWaalsContact OD2-CZ 3.22Å; D441-R451 IonicContact OD2-NH1 3.22Å; D441-R451 PolarHBondContact OD2-NH1 3.39Å; D441-R451 IonicContact OD2-NH2 3.92Å; D441-R451 PolarHBondContact OD2-NH2 3.08Å; S447-R451 WeakPolarHBondContact O-CB 3.41Å; S447-R451 PolarHBondContact O-N 2.96Å; K448-R451 PolarHBondContact O-N 3.21Å; L449-R451 PolarHBondContact O-N 3.07Å; R451-L453 VanDerWaalsContact C-N 3.29Å; R451-L453 PolarHBondContact O-N 2.89Å; R451-A454 WeakPolarHBondContact O-CB 3.4Å; R451-A454 PolarHBondContact O-N 3.17Å; R451-E455 WeakPolarHBondContact O-CB 3.22Å; R451-E455 PolarHBondContact O-N 2.98Å |
| 452 | L | 94.5 | Very high | 86.7 | Confident | 107 Ų | 107 | 97.2 Ų | 97.2 | 56% | 0.56 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.9 | -36.7 | 178.1 | -70.6 | 170 | 0 | 0 | 0 | 112.4 | K448 L449 S456 | K448-L452 WeakPolarHBondContact O-CG 3.35Å; K448-L452 PolarHBondContact O-N 3.33Å; L449-L452 PolarHBondContact O-N 3.03Å; L452-S456 WeakPolarHBondContact O-CB 3.46Å; L452-S456 PolarHBondContact O-N 3.33Å |
| 453 | L | 95.1 | Very high | 88.6 | Confident | 76 Ų | 76 | 95.3 Ų | 95.3 | 40% | 0.398 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -71.3 | -27 | 174.4 | -72.9 | 173 | 0 | 0 | 0 | 113.3 | L449 Q450 R451 R457 | L449-L453 HydrophobicContact CD1-CD1 4.06Å; L449-L453 HydrophobicContact CD1-CG 4.1Å; L449-L453 HydrophobicContact CG-CD1 3.91Å; L449-L453 HydrophobicContact CG-CG 4.38Å; L449-L453 WeakPolarHBondContact O-CB 3.38Å; L449-L453 VanDerWaalsContact O-CG 3.25Å; L449-L453 WeakPolarHBondContact O-CG 3.49Å; L449-L453 PolarHBondContact O-N 3.13Å; Q450-L453 PolarHBondContact O-N 3.35Å; R451-L453 VanDerWaalsContact C-N 3.29Å; R451-L453 PolarHBondContact O-N 2.89Å; L453-R457 WeakPolarHBondContact O-CD 3.33Å; L453-R457 WeakPolarHBondContact O-CG 3.47Å; L453-R457 PolarHBondContact O-N 3.38Å; L453-R457 PolarHBondContact O-NE 2.92Å; L453-R457 VanDerWaalsContact O-NE 3.09Å |
| 454 | A | 93.5 | Very high | 89.5 | Confident | 58 Ų | 58 | 95.7 Ų | 95.7 | 48% | 0.479 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -76.8 | -44.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q450 R451 R457 Q458 | Q450-A454 WeakPolarHBondContact O-CB 3.41Å; Q450-A454 PolarHBondContact O-N 2.89Å; R451-A454 WeakPolarHBondContact O-CB 3.4Å; R451-A454 PolarHBondContact O-N 3.17Å; A454-R457 PolarHBondContact O-N 3.27Å; A454-Q458 PolarHBondContact O-N 3.31Å |
| 455 | E | 94.4 | Very high | 89.6 | Confident | 111 Ų | 111 | 97 Ų | 97 | 52% | 0.519 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 176.9 | -172.9 | 172.8 | -170.8 | 0 | 0 | 112 | R451 R457 Q458 M459 | R451-E455 WeakPolarHBondContact O-CB 3.22Å; R451-E455 PolarHBondContact O-N 2.98Å; E455-R457 VanDerWaalsContact C-N 3.35Å; E455-R457 PolarHBondContact O-N 3.38Å; E455-Q458 PolarHBondContact O-N 3.43Å; E455-M459 WeakPolarHBondContact O-CB 3.03Å; E455-M459 PolarHBondContact O-N 2.91Å |
| 456 | S | 95 | Very high | 89.5 | Confident | 67 Ų | 67 | 95.6 Ų | 95.6 | 47% | 0.469 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.3 | -38.5 | 172.9 | 170.7 | 0 | 0 | 0 | 0 | 112.6 | L452 V460 | L452-S456 WeakPolarHBondContact O-CB 3.46Å; L452-S456 PolarHBondContact O-N 3.33Å; S456-V460 WeakPolarHBondContact O-CG2 3.44Å; S456-V460 PolarHBondContact O-N 3.27Å |
| 457 | R | 95.8 | Very high | 88.5 | Confident | 166 Ų | 166 | 96.3 Ų | 96.3 | 63% | 0.626 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.7 | -42.5 | 174.3 | -73 | 169.7 | -144.9 | -78.8 | -0.5 | 111.5 | L453 A454 E455 V460 T461 | L453-R457 WeakPolarHBondContact O-CD 3.33Å; L453-R457 WeakPolarHBondContact O-CG 3.47Å; L453-R457 PolarHBondContact O-N 3.38Å; L453-R457 PolarHBondContact O-NE 2.92Å; L453-R457 VanDerWaalsContact O-NE 3.09Å; A454-R457 PolarHBondContact O-N 3.27Å; E455-R457 VanDerWaalsContact C-N 3.35Å; E455-R457 PolarHBondContact O-N 3.38Å; R457-V460 PolarHBondContact O-N 3.08Å; R457-T461 PolarHBondContact O-N 2.98Å; R457-T461 PolarHBondContact O-OG1 2.92Å |
| 458 | Q | 93.9 | Very high | 87.2 | Confident | 106 Ų | 106 | 100.9 Ų | 100.9 | 50% | 0.495 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.5 | -46.4 | 176.7 | -171.6 | 61.7 | 53.3 | 0 | 0 | 111.1 | A454 E455 V460 T461 D462 | A454-Q458 PolarHBondContact O-N 3.31Å; E455-Q458 PolarHBondContact O-N 3.43Å; Q458-V460 VanDerWaalsContact C-N 3.31Å; Q458-V460 PolarHBondContact O-N 3.32Å; Q458-T461 WeakPolarHBondContact CA-OG1 3.48Å; Q458-T461 PolarHBondContact NE2-OG1 3.22Å; Q458-T461 PolarHBondContact O-N 3.16Å; Q458-T461 VanDerWaalsContact O-N 3.16Å; Q458-T461 PolarHBondContact O-OG1 2.75Å; Q458-D462 PolarHBondContact NE2-OD1 3.22Å; Q458-D462 WeakPolarHBondContact O-CB 3.48Å; Q458-D462 PolarHBondContact O-N 3.1Å |
| 459 | M | 93.4 | Very high | 85.4 | Confident | 128 Ų | 128 | 102.3 Ų | 102.3 | 63% | 0.631 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.8 | -37.2 | 177.5 | -170.1 | -175.1 | -60.8 | 0 | 0 | 112.7 | E455 L463 | E455-M459 WeakPolarHBondContact O-CB 3.03Å; E455-M459 PolarHBondContact O-N 2.91Å; M459-L463 WeakPolarHBondContact O-CB 3.37Å; M459-L463 PolarHBondContact O-N 2.91Å |
| 460 | V | 92.2 | Very high | 83.1 | Confident | 71 Ų | 71 | 103.1 Ų | 103.1 | 43% | 0.43 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.2 | -45.7 | 172.9 | 169.6 | 0 | 0 | 0 | 0 | 111 | S456 R457 Q458 D462 L463 E464 | S456-V460 WeakPolarHBondContact O-CG2 3.44Å; S456-V460 PolarHBondContact O-N 3.27Å; R457-V460 PolarHBondContact O-N 3.08Å; Q458-V460 VanDerWaalsContact C-N 3.31Å; Q458-V460 PolarHBondContact O-N 3.32Å; V460-D462 VanDerWaalsContact C-N 3.33Å; V460-D462 PolarHBondContact O-N 3.34Å; V460-L463 PolarHBondContact O-N 2.87Å; V460-E464 HydrophobicContact CG1-CG 4.41Å; V460-E464 WeakPolarHBondContact O-CG 3.33Å; V460-E464 PolarHBondContact O-N 3.19Å |
| 461 | T | 85.9 | Confident | 80.9 | Confident | 57 Ų | 57 | 104.5 Ų | 104.5 | 35% | 0.35 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.8 | -36.8 | 177 | 50.8 | 0 | 0 | 0 | 0 | 112.6 | R457 Q458 L463 E464 L465 | R457-T461 PolarHBondContact O-N 2.98Å; R457-T461 PolarHBondContact O-OG1 2.92Å; Q458-T461 WeakPolarHBondContact CA-OG1 3.48Å; Q458-T461 PolarHBondContact NE2-OG1 3.22Å; Q458-T461 PolarHBondContact O-N 3.16Å; Q458-T461 VanDerWaalsContact O-N 3.16Å; Q458-T461 PolarHBondContact O-OG1 2.75Å; T461-L463 VanDerWaalsContact C-N 3.33Å; T461-E464 PolarHBondContact O-N 2.9Å; T461-L465 WeakPolarHBondContact O-CB 3.48Å; T461-L465 WeakPolarHBondContact O-CG 3.43Å; T461-L465 PolarHBondContact O-N 3.14Å |
| 462 | D | 85.3 | Confident | 78 | Confident | 73 Ų | 73 | 104 Ų | 104 | 39% | 0.39 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.4 | -36.3 | 177.4 | -64.3 | -15 | 0 | 0 | 0 | 110.9 | Q458 V460 S466 | Q458-D462 PolarHBondContact NE2-OD1 3.22Å; Q458-D462 WeakPolarHBondContact O-CB 3.48Å; Q458-D462 PolarHBondContact O-N 3.1Å; V460-D462 VanDerWaalsContact C-N 3.33Å; V460-D462 PolarHBondContact O-N 3.34Å; D462-S466 VanDerWaalsContact O-CB 3.28Å; D462-S466 WeakPolarHBondContact O-CB 3.38Å; D462-S466 PolarHBondContact O-N 3.22Å; D462-S466 PolarHBondContact O-OG 3.25Å |
| 463 | L | 86 | Confident | 75.7 | Confident | 117 Ų | 117 | 106.2 Ų | 106.2 | 61% | 0.613 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -69.7 | -45 | 174 | -173.4 | 65.5 | 0 | 0 | 0 | 111.7 | M459 V460 T461 L465 S466 T467 | M459-L463 WeakPolarHBondContact O-CB 3.37Å; M459-L463 PolarHBondContact O-N 2.91Å; V460-L463 PolarHBondContact O-N 2.87Å; T461-L463 VanDerWaalsContact C-N 3.33Å; L463-L465 PolarHBondContact O-N 3.21Å; L463-S466 WeakPolarHBondContact O-CB 3.31Å; L463-S466 PolarHBondContact O-N 2.97Å; L463-T467 WeakPolarHBondContact O-CG2 3.49Å; L463-T467 PolarHBondContact O-N 3.24Å; L463-T467 PolarHBondContact O-OG1 3.27Å |
| 464 | E | 83.4 | Confident | 72.8 | Confident | 109 Ų | 109 | 110.3 Ų | 110.3 | 51% | 0.509 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -57.8 | -48.9 | 174.6 | -74.7 | 175.6 | 175.2 | 0 | 0 | 110.8 | V460 T461 S466 T467 L468 | V460-E464 HydrophobicContact CG1-CG 4.41Å; V460-E464 WeakPolarHBondContact O-CG 3.33Å; V460-E464 PolarHBondContact O-N 3.19Å; T461-E464 PolarHBondContact O-N 2.9Å; E464-S466 VanDerWaalsContact C-N 3.32Å; E464-S466 PolarHBondContact O-N 3.47Å; E464-T467 PolarHBondContact O-N 2.95Å; E464-T467 VanDerWaalsContact O-N 3.14Å; E464-T467 PolarHBondContact O-OG1 2.85Å; E464-L468 WeakPolarHBondContact O-CG 3.31Å; E464-L468 PolarHBondContact O-N 2.95Å; E464-L468 VanDerWaalsContact O-N 3.11Å |
| 465 | L | 77.6 | Confident | 69.9 | Low | 111 Ų | 111 | 113.6 Ų | 113.6 | 58% | 0.581 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -60.5 | -39.4 | 174.8 | -70.9 | 170.9 | 0 | 0 | 0 | 112.5 | T461 L463 T467 L468 L469 | T461-L465 WeakPolarHBondContact O-CB 3.48Å; T461-L465 WeakPolarHBondContact O-CG 3.43Å; T461-L465 PolarHBondContact O-N 3.14Å; L463-L465 PolarHBondContact O-N 3.21Å; L465-T467 VanDerWaalsContact C-N 3.33Å; L465-T467 PolarHBondContact O-N 3.47Å; L465-L468 PolarHBondContact O-N 2.89Å; L465-L469 PolarHBondContact O-N 3.02Å |
| 466 | S | 75.1 | Confident | 67.3 | Low | 79 Ų | 79 | 116 Ų | 116 | 55% | 0.552 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -65.7 | -33.3 | 175.5 | -61.9 | 0 | 0 | 0 | 0 | 112.8 | D462 L463 E464 | D462-S466 VanDerWaalsContact O-CB 3.28Å; D462-S466 WeakPolarHBondContact O-CB 3.38Å; D462-S466 PolarHBondContact O-N 3.22Å; D462-S466 PolarHBondContact O-OG 3.25Å; L463-S466 WeakPolarHBondContact O-CB 3.31Å; L463-S466 PolarHBondContact O-N 2.97Å; E464-S466 VanDerWaalsContact C-N 3.32Å; E464-S466 PolarHBondContact O-N 3.47Å |
| 467 | T | 64.8 | Low | 64.5 | Low | 107 Ų | 107 | 119 Ų | 119 | 66% | 0.656 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -79.2 | -15.2 | 175.5 | 58.2 | 0 | 0 | 0 | 0 | 114.3 | L463 E464 L465 | L463-T467 WeakPolarHBondContact O-CG2 3.49Å; L463-T467 PolarHBondContact O-N 3.24Å; L463-T467 PolarHBondContact O-OG1 3.27Å; E464-T467 PolarHBondContact O-N 2.95Å; E464-T467 VanDerWaalsContact O-N 3.14Å; E464-T467 PolarHBondContact O-OG1 2.85Å; L465-T467 VanDerWaalsContact C-N 3.33Å; L465-T467 PolarHBondContact O-N 3.47Å |
| 468 | L | 57.5 | Low | 61.3 | Low | 137 Ų | 137 | 114.7 Ų | 114.7 | 72% | 0.717 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -93.6 | -8.3 | 178.9 | -70.8 | 172.3 | 0 | 0 | 0 | 113.7 | E464 L465 P470 | E464-L468 WeakPolarHBondContact O-CG 3.31Å; E464-L468 PolarHBondContact O-N 2.95Å; E464-L468 VanDerWaalsContact O-N 3.11Å; L465-L468 PolarHBondContact O-N 2.89Å; L468-P470 WeakPolarHBondContact O-CD 3.23Å |
| 469 | L | 51.5 | Low | 58.4 | Low | 129 Ų | 129 | 115.6 Ų | 115.6 | 68% | 0.675 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -78.7 | 121.8 | 171.2 | -80.2 | 164 | 0 | 0 | 0 | 110.2 | L465 I471 | L465-L469 PolarHBondContact O-N 3.02Å; L469-I471 PolarHBondContact O-N 3.22Å |
| 470 | P | 42.7 | Very low | 55.5 | Low | 118 Ų | 118 | 114.3 Ų | 114.3 | 77% | 0.766 | 67% | 0.668 | S | S | * | * | trans | -61.5 | 131 | 170.1 | -19.2 | 31.9 | 0 | 0 | 0 | 109.8 | L468 S472 | L468-P470 WeakPolarHBondContact O-CD 3.23Å; P470-S472 PolarHBondContact O-N 3.28Å | ||
| 471 | I | 45.9 | Very low | 52.6 | Low | 154 Ų | 154 | 116.9 Ų | 116.9 | 79% | 0.79 | 68% | 0.684 | S | S | * | * | trans | -63.2 | 100.8 | 173.2 | -60 | 171.4 | 0 | 0 | 0 | 107.9 | L469 H473 | L469-I471 PolarHBondContact O-N 3.22Å; I471-H473 PolarHBondContact O-N 3.38Å | ||
| 472 | S | 35.3 | Very low | 50 | Low | 102 Ų | 102 | 121.6 Ų | 121.6 | 71% | 0.713 | 71% | 0.707 | S | S | * | * | trans | -67.8 | 97.6 | 171.9 | 54.9 | 0 | 0 | 0 | 0 | 108.6 | P470 E474 | P470-S472 PolarHBondContact O-N 3.28Å; S472-E474 PolarHBondContact O-N 3.37Å | ||
| 473 | H | 44.6 | Very low | 47.5 | Very low | 155 Ų | 155 | 125.1 Ų | 125.1 | 72% | 0.718 | 72% | 0.724 | S | S | * | * | trans | -80.7 | 77.3 | -168.5 | -161 | -69.7 | 0 | 0 | 0 | 111.5 | I471 | I471-H473 PolarHBondContact O-N 3.38Š| ||
| 474 | E | 35.2 | Very low | 44.8 | Very low | 162 Ų | 162 | 125 Ų | 125 | 76% | 0.757 | 73% | 0.733 | S | S | * | * | trans | -113.1 | 115.8 | 177.4 | -90 | -175.7 | 124.5 | 0 | 0 | 113.7 | S472 | S472-E474 PolarHBondContact O-N 3.37Š| ||
| 475 | N | 33.1 | Very low | 42.2 | Very low | 126 Ų | 126 | 128.6 Ų | 128.6 | 67% | 0.674 | 75% | 0.749 | S | S | * | * | trans | 75.8 | 69.3 | 151.4 | -52.8 | -44.9 | 0 | 0 | 0 | 119 | T477 | N475-T477 VanDerWaalsContact C-N 3.35Å; N475-T477 PolarHBondContact O-N 2.94Å; N475-T477 VanDerWaalsContact O-N 3.17Å | ||
| 476 | L | 39.6 | Very low | 40.2 | Very low | 163 Ų | 163 | 131.2 Ų | 131.2 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | trans | -74.3 | 81.2 | 151.6 | -90.2 | 156.8 | 0 | 0 | 0 | 111 | ||||
| 477 | T | 34.9 | Very low | 37.9 | Very low | 130 Ų | 130 | 133.7 Ų | 133.7 | 80% | 0.798 | 78% | 0.779 | S | S | * | * | trans | -151.9 | 99.9 | 169.8 | 8.2 | 0 | 0 | 0 | 0 | 111.2 | N475 | N475-T477 VanDerWaalsContact C-N 3.35Å; N475-T477 PolarHBondContact O-N 2.94Å; N475-T477 VanDerWaalsContact O-N 3.17Å | ||
| 478 | G | 29.8 | Very low | 36.2 | Very low | 75 Ų | 75 | 131.5 Ų | 131.5 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 172.5 | 92.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 479 | S | 33.1 | Very low | 34.8 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | 63.9 | 90.8 | 157.3 | -157.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 480 | A | 32.1 | Very low | 33.9 | Very low | 101 Ų | 101 | 137.1 Ų | 137.1 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | trans | -145.6 | 55.8 | 161.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 481 | T | 32.2 | Very low | 33.3 | Very low | 125 Ų | 125 | 140.5 Ų | 140.5 | 77% | 0.767 | 79% | 0.789 | S | S | * | * | trans | -149.8 | 115.5 | 170.7 | -16.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 482 | N | 30.6 | Very low | 32.7 | Very low | 155 Ų | 155 | 136.9 Ų | 136.9 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | trans | 155.8 | 131.4 | 156.7 | -90.4 | -36 | 0 | 0 | 0 | 109 | ||||
| 483 | I | 33.4 | Very low | 32.6 | Very low | 148 Ų | 148 | 138.7 Ų | 138.7 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | cis | -146.5 | 134.6 | 2.8 | -52.9 | -176.9 | 0 | 0 | 0 | 109 | ||||
| 484 | S | 28.1 | Very low | 32.2 | Very low | 113 Ų | 113 | 136.8 Ų | 136.8 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | -164.2 | 86.6 | 148.6 | 48.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 485 | H | 30.2 | Very low | 32.3 | Very low | 185 Ų | 185 | 135.7 Ų | 135.7 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | -172.2 | 144.6 | 121.6 | -124.2 | -96.3 | 0 | 0 | 0 | 112.4 | |||||
| 486 | L | 33.8 | Very low | 32.6 | Very low | 166 Ų | 166 | 135.5 Ų | 135.5 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | trans | -80.3 | 141.4 | 169.7 | -68.4 | 153.1 | 0 | 0 | 0 | 110.1 | ||||
| 487 | C | 28.1 | Very low | 32.7 | Very low | 132 Ų | 132 | 140.3 Ų | 140.3 | 89% | 0.892 | 80% | 0.804 | S | S | * | * | 168.2 | 129.2 | 118.5 | -178.3 | 0 | 0 | 0 | 0 | 113 | |||||
| 488 | G | 28.2 | Very low | 32.6 | Very low | 60 Ų | 60 | 140.8 Ų | 140.8 | 62% | 0.619 | 81% | 0.805 | S | S | * | * | trans | 120.5 | 97.7 | 137.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 489 | R | 29.2 | Very low | 32.7 | Very low | 235 Ų | 235 | 144.3 Ų | 144.3 | 89% | 0.887 | 81% | 0.806 | S | S | * | * | trans | 62.9 | 147.8 | 147.9 | -65.1 | -179.2 | 178.9 | -176.2 | 0.4 | 116.7 | ||||
| 490 | Q | 31 | Very low | 32.7 | Very low | 149 Ų | 149 | 145.3 Ų | 145.3 | 70% | 0.696 | 80% | 0.803 | S | S | * | * | cis | -163.5 | 154.9 | 10.8 | -132 | 169.5 | 8.4 | 0 | 0 | 109.6 | ||||
| 491 | K | 31.5 | Very low | 32.8 | Very low | 189 Ų | 189 | 147.9 Ų | 147.9 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | 60.8 | 120.7 | 156.1 | -77.6 | -176.8 | 173.7 | -174.2 | 0 | 118.1 | ||||
| 492 | A | 32.2 | Very low | 32.8 | Very low | 79 Ų | 79 | 149.4 Ų | 149.4 | 65% | 0.653 | 80% | 0.803 | S | S | * | * | 86.8 | 145.9 | 103.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 493 | D | 33.7 | Very low | 32.9 | Very low | 140 Ų | 140 | 149 Ų | 149 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | cis | -157 | 152.6 | -12.5 | -103.5 | -31.1 | 0 | 0 | 0 | 107.1 | ||||
| 494 | T | 37.4 | Very low | 32.9 | Very low | 115 Ų | 115 | 149.1 Ų | 149.1 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | trans | 55.9 | 136.6 | 150.3 | 58.2 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 495 | N | 35.4 | Very low | 33.3 | Very low | 138 Ų | 138 | 151.8 Ų | 151.8 | 74% | 0.738 | 81% | 0.805 | S | S | * | * | trans | 83.3 | 123.5 | 148.2 | -58 | -12 | 0 | 0 | 0 | 118.8 | ||||
| 496 | T | 40.3 | Very low | 33.5 | Very low | 123 Ų | 123 | 149.1 Ų | 149.1 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | 63.7 | 124 | 81.9 | -18.6 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 497 | E | 41.9 | Very low | 33.5 | Very low | 263 Ų | 263 | 147.5 Ų | 147.5 | 100% | 1.229 | 80% | 0.795 | S | S | * | * | cis | -118.1 | 0 | 25.6 | -67.5 | 169.9 | 120 | 0 | 0 | 115.7 |
Retrieved 497 of 497 residues in 490.8 ms
(Link to these results)