| 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 | 62.8 | Low | 85 | Confident | 195 Ų | 195 | 133 Ų | 133 | 96% | 0.961 | 61% | 0.61 | S | S | * | * | 0 | -50.1 | 0 | -67.6 | -52.6 | -144.8 | 0 | 0 | 112.5 | N3 K4 M5 | M1-N3 PolarHBondContact O-N 2.96Å; M1-K4 PolarHBondContact O-N 3.32Å; M1-M5 PolarHBondContact O-N 3.01Å | |||
| 2 | R | 73.4 | Confident | 85.9 | Confident | 203 Ų | 203 | 130.3 Ų | 130.3 | 77% | 0.766 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -50.9 | -51.9 | 179.7 | -160.8 | 169.5 | -178 | 171.7 | 0.7 | 115.1 | K4 M5 D6 | R2-K4 VanDerWaalsContact C-N 3.26Å; R2-K4 PolarHBondContact O-N 3.13Å; R2-K4 VanDerWaalsContact O-N 3.16Å; R2-M5 PolarHBondContact O-N 3.13Å; R2-M5 VanDerWaalsContact O-N 3.12Å; R2-D6 PolarHBondContact O-N 3.13Å |
| 3 | N | 76.7 | Confident | 86.6 | Confident | 140 Ų | 140 | 129.1 Ų | 129.1 | 75% | 0.749 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -61.7 | -27.4 | -179.8 | -62.1 | 2.8 | 0 | 0 | 0 | 114.8 | M1 G7 | M1-N3 PolarHBondContact O-N 2.96Å; N3-G7 PolarHBondContact O-N 3.21Å |
| 4 | K | 83.9 | Confident | 87.3 | Confident | 154 Ų | 154 | 127.4 Ų | 127.4 | 67% | 0.67 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -74.5 | -44.1 | 176.3 | -73.9 | -172.6 | 177 | -176.2 | 0 | 110.7 | M1 R2 D6 G7 E8 | M1-K4 PolarHBondContact O-N 3.32Å; R2-K4 VanDerWaalsContact C-N 3.26Å; R2-K4 PolarHBondContact O-N 3.13Å; R2-K4 VanDerWaalsContact O-N 3.16Å; K4-D6 VanDerWaalsContact C-N 3.34Å; K4-D6 PolarHBondContact O-N 3.26Å; K4-G7 PolarHBondContact O-N 3.45Å; K4-E8 WeakPolarHBondContact O-CG 3.44Å; K4-E8 PolarHBondContact O-N 3.47Å |
| 5 | M | 85.6 | Confident | 87.9 | Confident | 123 Ų | 123 | 126.7 Ų | 126.7 | 61% | 0.606 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -63.4 | -39.6 | 176 | -60.3 | -61.7 | -79.3 | 0 | 0 | 111.6 | M1 R2 G7 E8 M9 | M1-M5 PolarHBondContact O-N 3.01Å; R2-M5 PolarHBondContact O-N 3.13Å; R2-M5 VanDerWaalsContact O-N 3.12Å; M5-G7 VanDerWaalsContact C-N 3.35Å; M5-G7 PolarHBondContact O-N 2.86Å; M5-E8 PolarHBondContact O-N 2.98Å; M5-M9 WeakPolarHBondContact O-CB 3.44Å; M5-M9 PolarHBondContact O-N 3.14Å |
| 6 | D | 87.8 | Confident | 88.5 | Confident | 81 Ų | 81 | 123.9 Ų | 123.9 | 43% | 0.433 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.5 | -36.7 | 177.2 | -65.3 | -30.6 | 0 | 0 | 0 | 112.1 | R2 K4 R10 | R2-D6 PolarHBondContact O-N 3.13Å; K4-D6 VanDerWaalsContact C-N 3.34Å; K4-D6 PolarHBondContact O-N 3.26Å; D6-R10 PolarHBondContact O-N 3.42Å; D6-R10 VanDerWaalsContact O-N 3.08Å |
| 7 | G | 91.9 | Very high | 89 | Confident | 28 Ų | 28 | 126 Ų | 126 | 29% | 0.289 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -68.4 | -39.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | N3 K4 M5 R10 R11 | N3-G7 PolarHBondContact O-N 3.21Å; K4-G7 PolarHBondContact O-N 3.45Å; M5-G7 VanDerWaalsContact C-N 3.35Å; M5-G7 PolarHBondContact O-N 2.86Å; G7-R10 PolarHBondContact O-N 3.48Å; G7-R11 WeakPolarHBondContact O-CG 3.46Å; G7-R11 PolarHBondContact O-N 2.97Å; G7-R11 VanDerWaalsContact O-N 3.12Å |
| 8 | E | 92.7 | Very high | 89.5 | Confident | 92 Ų | 92 | 122.1 Ų | 122.1 | 43% | 0.43 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.4 | -40.3 | 173.3 | -73.9 | 172.5 | -174.1 | 0 | 0 | 112 | K4 M5 R10 R11 L12 | K4-E8 WeakPolarHBondContact O-CG 3.44Å; K4-E8 PolarHBondContact O-N 3.47Å; M5-E8 PolarHBondContact O-N 2.98Å; E8-R10 PolarHBondContact O-N 2.97Å; E8-R11 VanDerWaalsContact CG-NH2 3.27Å; E8-R11 PolarHBondContact O-N 3.18Å; E8-L12 WeakPolarHBondContact O-CG 3.47Å; E8-L12 PolarHBondContact O-N 2.68Å |
| 9 | M | 91.4 | Very high | 89.9 | Confident | 107 Ų | 107 | 119.9 Ų | 119.9 | 53% | 0.527 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -59.4 | -44.7 | 175.3 | -172.8 | 65.3 | 74.9 | 0 | 0 | 111.6 | M5 L12 Q13 | M5-M9 WeakPolarHBondContact O-CB 3.44Å; M5-M9 PolarHBondContact O-N 3.14Å; M9-L12 PolarHBondContact O-N 3.11Å; M9-Q13 VanDerWaalsContact O-CG 3.28Å; M9-Q13 WeakPolarHBondContact O-CG 3.46Å; M9-Q13 PolarHBondContact O-N 3.13Å |
| 10 | R | 93.6 | Very high | 90.3 | Very high | 179 Ų | 179 | 122.6 Ų | 122.6 | 68% | 0.675 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.7 | -46.1 | 175.5 | -75.9 | -177.7 | -175.9 | -164 | 0.5 | 112.3 | D6 G7 E8 L12 Q13 D14 | D6-R10 PolarHBondContact O-N 3.42Å; D6-R10 VanDerWaalsContact O-N 3.08Å; G7-R10 PolarHBondContact O-N 3.48Å; E8-R10 PolarHBondContact O-N 2.97Å; R10-L12 VanDerWaalsContact C-N 3.29Å; R10-L12 PolarHBondContact O-N 3.34Å; R10-Q13 WeakPolarHBondContact O-CB 3.38Å; R10-Q13 PolarHBondContact O-N 3.25Å; R10-Q13 VanDerWaalsContact O-N 3.08Å; R10-D14 PolarHBondContact O-N 3.03Å |
| 11 | R | 95 | Very high | 90.6 | Very high | 161 Ų | 161 | 121.2 Ų | 121.2 | 61% | 0.608 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -59 | -41.2 | 176.9 | -75 | -172.3 | -70.7 | -129.9 | 2.7 | 112.4 | G7 E8 F15 | G7-R11 WeakPolarHBondContact O-CG 3.46Å; G7-R11 PolarHBondContact O-N 2.97Å; G7-R11 VanDerWaalsContact O-N 3.12Å; E8-R11 VanDerWaalsContact CG-NH2 3.27Å; E8-R11 PolarHBondContact O-N 3.18Å; R11-F15 VanDerWaalsContact O-CB 3.25Å; R11-F15 WeakPolarHBondContact O-CB 3.45Å; R11-F15 PolarHBondContact O-N 3.44Å |
| 12 | L | 95.5 | Very high | 92.2 | Very high | 100 Ų | 100 | 119.4 Ų | 119.4 | 52% | 0.524 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.4 | -35.9 | 175.9 | -73.5 | 172.5 | 0 | 0 | 0 | 112.1 | E8 M9 R10 N16 | E8-L12 WeakPolarHBondContact O-CG 3.47Å; E8-L12 PolarHBondContact O-N 2.68Å; M9-L12 PolarHBondContact O-N 3.11Å; R10-L12 VanDerWaalsContact C-N 3.29Å; R10-L12 PolarHBondContact O-N 3.34Å; L12-N16 VanDerWaalsContact O-CB 3.32Å; L12-N16 WeakPolarHBondContact O-CB 3.28Å; L12-N16 PolarHBondContact O-N 3.43Å; L12-N16 PolarHBondContact O-ND2 2.88Å |
| 13 | Q | 96 | Very high | 93.3 | Very high | 115 Ų | 115 | 115 Ų | 115 | 54% | 0.537 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.5 | -45.7 | 175.2 | -74.5 | 171.6 | -6.1 | 0 | 0 | 111.7 | M9 R10 F15 N16 R17 | M9-Q13 VanDerWaalsContact O-CG 3.28Å; M9-Q13 WeakPolarHBondContact O-CG 3.46Å; M9-Q13 PolarHBondContact O-N 3.13Å; R10-Q13 WeakPolarHBondContact O-CB 3.38Å; R10-Q13 PolarHBondContact O-N 3.25Å; R10-Q13 VanDerWaalsContact O-N 3.08Å; Q13-F15 VanDerWaalsContact C-N 3.34Å; Q13-F15 PolarHBondContact O-N 2.9Å; Q13-N16 PolarHBondContact O-N 3.35Å; Q13-R17 WeakPolarHBondContact O-CB 3.22Å; Q13-R17 PolarHBondContact O-N 2.98Å |
| 14 | D | 96.3 | Very high | 94.3 | Very high | 106 Ų | 106 | 113 Ų | 113 | 57% | 0.567 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63 | -42.4 | 176.8 | -66.6 | -27 | 0 | 0 | 0 | 111.1 | R10 R17 D18 | R10-D14 PolarHBondContact O-N 3.03Å; D14-R17 WeakPolarHBondContact O-CB 3.36Å; D14-R17 PolarHBondContact O-N 3.4Å; D14-D18 PolarHBondContact O-N 3.41Å |
| 15 | F | 96.4 | Very high | 94.9 | Very high | 117 Ų | 117 | 108.3 Ų | 108.3 | 51% | 0.513 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.3 | -43.5 | 175.9 | -176.3 | -107.2 | 0 | 0 | 0 | 112.4 | R11 Q13 R17 D18 L19 | R11-F15 VanDerWaalsContact O-CB 3.25Å; R11-F15 WeakPolarHBondContact O-CB 3.45Å; R11-F15 PolarHBondContact O-N 3.44Å; Q13-F15 VanDerWaalsContact C-N 3.34Å; Q13-F15 PolarHBondContact O-N 2.9Å; F15-R17 VanDerWaalsContact C-N 3.27Å; F15-R17 PolarHBondContact O-N 3.42Å; F15-D18 PolarHBondContact O-N 3.45Å; F15-L19 HydrophobicContact CD1-CD1 3.85Å; F15-L19 HydrophobicContact CD1-CG 4.33Å; F15-L19 HydrophobicContact CE1-CD1 3.36Å; F15-L19 HydrophobicContact CE1-CG 3.98Å; F15-L19 HydrophobicContact CE2-CG 4.48Å; F15-L19 HydrophobicContact CZ-CD1 3.85Å; F15-L19 HydrophobicContact CZ-CD2 4.22Å; F15-L19 HydrophobicContact CZ-CG 4.05Å; F15-L19 WeakPolarHBondContact O-CB 3.32Å; F15-L19 WeakPolarHBondContact O-CG 3.4Å; F15-L19 PolarHBondContact O-N 3.27Å |
| 16 | N | 97 | Very high | 95.3 | Very high | 81 Ų | 81 | 104.7 Ų | 104.7 | 43% | 0.433 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.8 | -36.3 | 174.4 | -86 | -62.8 | 0 | 0 | 0 | 112 | L12 Q13 R20 | L12-N16 VanDerWaalsContact O-CB 3.32Å; L12-N16 WeakPolarHBondContact O-CB 3.28Å; L12-N16 PolarHBondContact O-N 3.43Å; L12-N16 PolarHBondContact O-ND2 2.88Å; Q13-N16 PolarHBondContact O-N 3.35Å; N16-R20 WeakPolarHBondContact O-CG 3.48Å; N16-R20 PolarHBondContact O-N 2.91Å |
| 17 | R | 97.4 | Very high | 95.7 | Very high | 160 Ų | 160 | 105.1 Ų | 105.1 | 60% | 0.604 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.9 | -48.7 | 175.1 | -178.6 | -179.8 | 170.6 | 172.9 | -0.4 | 111.1 | Q13 D14 F15 L19 R20 E21 | Q13-R17 WeakPolarHBondContact O-CB 3.22Å; Q13-R17 PolarHBondContact O-N 2.98Å; D14-R17 WeakPolarHBondContact O-CB 3.36Å; D14-R17 PolarHBondContact O-N 3.4Å; F15-R17 VanDerWaalsContact C-N 3.27Å; F15-R17 PolarHBondContact O-N 3.42Å; R17-L19 VanDerWaalsContact C-N 3.31Å; R17-L19 PolarHBondContact O-N 3.37Å; R17-R20 PolarHBondContact O-N 3.02Å; R17-R20 VanDerWaalsContact O-N 3.14Å; R17-E21 WeakPolarHBondContact CG-OE1 3.46Å; R17-E21 IonicContact CZ-OE1 2.83Å; R17-E21 IonicContact NE-OE1 3.94Å; R17-E21 PolarHBondContact NE-OE1 3.47Å; R17-E21 IonicContact NH2-OE1 3.58Å; R17-E21 PolarHBondContact NH2-OE1 3.06Å; R17-E21 WeakPolarHBondContact O-CG 3.42Å; R17-E21 PolarHBondContact O-N 3.11Å |
| 18 | D | 97.4 | Very high | 95.9 | Very high | 55 Ų | 55 | 111.8 Ų | 111.8 | 29% | 0.294 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.2 | -42.5 | 176.2 | -175.8 | 42.2 | 0 | 0 | 0 | 111.3 | D14 F15 R20 E21 R22 | D14-D18 PolarHBondContact O-N 3.41Å; F15-D18 PolarHBondContact O-N 3.45Å; D18-R20 PolarHBondContact O-N 3.05Å; D18-E21 PolarHBondContact O-N 3.38Å; D18-R22 VanDerWaalsContact CG-NE 3.31Å; D18-R22 WeakPolarHBondContact O-CB 3.44Å; D18-R22 VanDerWaalsContact O-CG 3.26Å; D18-R22 WeakPolarHBondContact O-CG 3.38Å; D18-R22 PolarHBondContact O-N 2.87Å; D18-R22 IonicContact OD1-CZ 3.18Å; D18-R22 IonicContact OD1-NE 3.76Å; D18-R22 PolarHBondContact OD1-NE 3.25Å; D18-R22 IonicContact OD1-NH2 2.85Å; D18-R22 IonicContact OD2-CZ 3.25Å; D18-R22 VanDerWaalsContact OD2-CZ 3.25Å; D18-R22 IonicContact OD2-NE 2.86Å; D18-R22 PolarHBondContact OD2-NE 2.99Å; D18-R22 IonicContact OD2-NH2 3.13Å; D18-R22 PolarHBondContact OD2-NH2 2.93Å |
| 19 | L | 96.9 | Very high | 96 | Very high | 81 Ų | 81 | 113.8 Ų | 113.8 | 42% | 0.424 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.2 | -41.4 | 175.1 | -76.7 | -179.4 | 0 | 0 | 0 | 112.9 | F15 R17 R22 L23 | F15-L19 HydrophobicContact CD1-CD1 3.85Å; F15-L19 HydrophobicContact CD1-CG 4.33Å; F15-L19 HydrophobicContact CE1-CD1 3.36Å; F15-L19 HydrophobicContact CE1-CG 3.98Å; F15-L19 HydrophobicContact CE2-CG 4.48Å; F15-L19 HydrophobicContact CZ-CD1 3.85Å; F15-L19 HydrophobicContact CZ-CD2 4.22Å; F15-L19 HydrophobicContact CZ-CG 4.05Å; F15-L19 WeakPolarHBondContact O-CB 3.32Å; F15-L19 WeakPolarHBondContact O-CG 3.4Å; F15-L19 PolarHBondContact O-N 3.27Å; R17-L19 VanDerWaalsContact C-N 3.31Å; R17-L19 PolarHBondContact O-N 3.37Å; L19-R22 PolarHBondContact O-N 3.41Å; L19-L23 WeakPolarHBondContact O-CB 3.38Å; L19-L23 PolarHBondContact O-N 3.03Å |
| 20 | R | 97.3 | Very high | 96.2 | Very high | 173 Ų | 173 | 113.8 Ų | 113.8 | 65% | 0.653 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.8 | -45.9 | 175.8 | -75.1 | 174.9 | -177.2 | 173.6 | 1.2 | 111.4 | N16 R17 D18 R22 L23 E24 | N16-R20 WeakPolarHBondContact O-CG 3.48Å; N16-R20 PolarHBondContact O-N 2.91Å; R17-R20 PolarHBondContact O-N 3.02Å; R17-R20 VanDerWaalsContact O-N 3.14Å; D18-R20 PolarHBondContact O-N 3.05Å; R20-R22 VanDerWaalsContact C-N 3.31Å; R20-R22 PolarHBondContact O-N 2.95Å; R20-L23 PolarHBondContact O-N 3.31Å; R20-E24 WeakPolarHBondContact O-CB 3.4Å; R20-E24 WeakPolarHBondContact O-CG 3.39Å; R20-E24 PolarHBondContact O-N 3.43Å |
| 21 | E | 97 | Very high | 96.2 | Very high | 94 Ų | 94 | 108.1 Ų | 108.1 | 44% | 0.439 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.6 | -40.4 | 178.2 | -71.3 | 177.1 | -169.9 | 0 | 0 | 111.2 | R17 D18 S25 | R17-E21 WeakPolarHBondContact CG-OE1 3.46Å; R17-E21 IonicContact CZ-OE1 2.83Å; R17-E21 IonicContact NE-OE1 3.94Å; R17-E21 PolarHBondContact NE-OE1 3.47Å; R17-E21 IonicContact NH2-OE1 3.58Å; R17-E21 PolarHBondContact NH2-OE1 3.06Å; R17-E21 WeakPolarHBondContact O-CG 3.42Å; R17-E21 PolarHBondContact O-N 3.11Å; D18-E21 PolarHBondContact O-N 3.38Å; E21-S25 WeakPolarHBondContact O-CB 3.43Å; E21-S25 PolarHBondContact O-N 3.48Å |
| 22 | R | 97.1 | Very high | 96.1 | Very high | 158 Ų | 158 | 103 Ų | 103 | 60% | 0.596 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.5 | -43 | 173.7 | -71.9 | 174.6 | -169.5 | -127.6 | 9.1 | 112.8 | D18 L19 R20 S25 A26 | D18-R22 VanDerWaalsContact CG-NE 3.31Å; D18-R22 WeakPolarHBondContact O-CB 3.44Å; D18-R22 VanDerWaalsContact O-CG 3.26Å; D18-R22 WeakPolarHBondContact O-CG 3.38Å; D18-R22 PolarHBondContact O-N 2.87Å; D18-R22 IonicContact OD1-CZ 3.18Å; D18-R22 IonicContact OD1-NE 3.76Å; D18-R22 PolarHBondContact OD1-NE 3.25Å; D18-R22 IonicContact OD1-NH2 2.85Å; D18-R22 IonicContact OD2-CZ 3.25Å; D18-R22 VanDerWaalsContact OD2-CZ 3.25Å; D18-R22 IonicContact OD2-NE 2.86Å; D18-R22 PolarHBondContact OD2-NE 2.99Å; D18-R22 IonicContact OD2-NH2 3.13Å; D18-R22 PolarHBondContact OD2-NH2 2.93Å; L19-R22 PolarHBondContact O-N 3.41Å; R20-R22 VanDerWaalsContact C-N 3.31Å; R20-R22 PolarHBondContact O-N 2.95Å; R22-S25 PolarHBondContact O-N 3.26Å; R22-A26 WeakPolarHBondContact O-CB 3.44Å; R22-A26 PolarHBondContact O-N 3.13Å |
| 23 | L | 96.7 | Very high | 96 | Very high | 109 Ų | 109 | 105.4 Ų | 105.4 | 57% | 0.571 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.9 | -44.7 | 177.4 | -173.2 | 74.1 | 0 | 0 | 0 | 110.9 | L19 R20 A26 N27 | L19-L23 WeakPolarHBondContact O-CB 3.38Å; L19-L23 PolarHBondContact O-N 3.03Å; R20-L23 PolarHBondContact O-N 3.31Å; L23-A26 PolarHBondContact O-N 3.35Å; L23-N27 WeakPolarHBondContact O-CB 3.46Å; L23-N27 PolarHBondContact O-N 2.97Å |
| 24 | E | 96.8 | Very high | 95.8 | Very high | 99 Ų | 99 | 104.1 Ų | 104.1 | 46% | 0.463 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.7 | -44.2 | 175.9 | -76 | -179.1 | -157.4 | 0 | 0 | 111.8 | R20 N27 R28 | R20-E24 WeakPolarHBondContact O-CB 3.4Å; R20-E24 WeakPolarHBondContact O-CG 3.39Å; R20-E24 PolarHBondContact O-N 3.43Å; E24-N27 PolarHBondContact O-N 2.87Å; E24-R28 WeakPolarHBondContact O-CG 3.35Å; E24-R28 PolarHBondContact O-N 3.41Å; E24-R28 IonicContact OE2-NH2 2.61Å; E24-R28 PolarHBondContact OE2-NH2 2.91Å |
| 25 | S | 96.2 | Very high | 95.5 | Very high | 55 Ų | 55 | 105.9 Ų | 105.9 | 39% | 0.385 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.4 | -43.8 | 176.5 | -174.9 | 0 | 0 | 0 | 0 | 112.1 | E21 R22 R28 H29 | E21-S25 WeakPolarHBondContact O-CB 3.43Å; E21-S25 PolarHBondContact O-N 3.48Å; R22-S25 PolarHBondContact O-N 3.26Å; S25-R28 PolarHBondContact O-N 2.9Å; S25-H29 PolarHBondContact O-N 2.61Å; S25-H29 PolarHBondContact O-ND1 3.32Å |
| 26 | A | 95.6 | Very high | 95.2 | Very high | 48 Ų | 48 | 106.3 Ų | 106.3 | 40% | 0.397 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63 | -43.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | R22 L23 R28 H29 L30 | R22-A26 WeakPolarHBondContact O-CB 3.44Å; R22-A26 PolarHBondContact O-N 3.13Å; L23-A26 PolarHBondContact O-N 3.35Å; A26-R28 PolarHBondContact O-N 2.81Å; A26-H29 PolarHBondContact O-N 3.43Å; A26-L30 WeakPolarHBondContact O-CG 3.36Å; A26-L30 PolarHBondContact O-N 2.9Å |
| 27 | N | 96.4 | Very high | 94.8 | Very high | 90 Ų | 90 | 105.6 Ų | 105.6 | 48% | 0.481 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 176.2 | -77.4 | -17.3 | 0 | 0 | 0 | 112.2 | L23 E24 L30 A31 | L23-N27 WeakPolarHBondContact O-CB 3.46Å; L23-N27 PolarHBondContact O-N 2.97Å; E24-N27 PolarHBondContact O-N 2.87Å; N27-L30 PolarHBondContact O-N 2.91Å; N27-A31 WeakPolarHBondContact O-CB 3.38Å; N27-A31 PolarHBondContact O-N 3.19Å |
| 28 | R | 96.3 | Very high | 94.4 | Very high | 168 Ų | 168 | 103.4 Ų | 103.4 | 63% | 0.634 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63 | -43.5 | 175.2 | -72.7 | 176.8 | -161.4 | 159.9 | 15.9 | 111.9 | E24 S25 A26 A31 S32 | E24-R28 WeakPolarHBondContact O-CG 3.35Å; E24-R28 PolarHBondContact O-N 3.41Å; E24-R28 IonicContact OE2-NH2 2.61Å; E24-R28 PolarHBondContact OE2-NH2 2.91Å; S25-R28 PolarHBondContact O-N 2.9Å; A26-R28 PolarHBondContact O-N 2.81Å; R28-A31 PolarHBondContact O-N 2.98Å; R28-S32 PolarHBondContact O-N 3.26Å |
| 29 | H | 94.4 | Very high | 94 | Very high | 133 Ų | 133 | 103.4 Ų | 103.4 | 62% | 0.616 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.3 | -42.7 | 176.5 | -80.9 | 77.3 | 0 | 0 | 0 | 112.1 | S25 A26 S32 K33 | S25-H29 PolarHBondContact O-N 2.61Å; S25-H29 PolarHBondContact O-ND1 3.32Å; A26-H29 PolarHBondContact O-N 3.43Å; H29-S32 PolarHBondContact O-N 3.35Å; H29-K33 WeakPolarHBondContact O-CB 3.49Å; H29-K33 PolarHBondContact O-N 3.13Å |
| 30 | L | 95.1 | Very high | 93.7 | Very high | 107 Ų | 107 | 101.6 Ų | 101.6 | 56% | 0.56 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61 | -47.3 | 175.5 | -74.1 | 172.7 | 0 | 0 | 0 | 111.3 | A26 N27 S32 K33 T34 | A26-L30 WeakPolarHBondContact O-CG 3.36Å; A26-L30 PolarHBondContact O-N 2.9Å; N27-L30 PolarHBondContact O-N 2.91Å; L30-S32 PolarHBondContact O-N 2.91Å; L30-K33 PolarHBondContact O-N 3.33Å; L30-T34 PolarHBondContact O-N 2.95Å; L30-T34 PolarHBondContact O-OG1 3.13Å; L30-T34 VanDerWaalsContact O-OG1 3.07Å |
| 31 | A | 93.8 | Very high | 93.5 | Very high | 60 Ų | 60 | 96.8 Ų | 96.8 | 50% | 0.496 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | N27 R28 K33 T34 Q35 | N27-A31 WeakPolarHBondContact O-CB 3.38Å; N27-A31 PolarHBondContact O-N 3.19Å; R28-A31 PolarHBondContact O-N 2.98Å; A31-K33 PolarHBondContact O-N 3.3Å; A31-T34 PolarHBondContact O-N 3.07Å; A31-Q35 WeakPolarHBondContact O-CB 3.48Å; A31-Q35 PolarHBondContact O-N 3.48Å |
| 32 | S | 93.6 | Very high | 93.4 | Very high | 53 Ų | 53 | 98.1 Ų | 98.1 | 37% | 0.371 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.8 | -48.8 | 176.3 | -163.9 | 0 | 0 | 0 | 0 | 111.4 | R28 H29 L30 T34 Q35 E36 | R28-S32 PolarHBondContact O-N 3.26Å; H29-S32 PolarHBondContact O-N 3.35Å; L30-S32 PolarHBondContact O-N 2.91Å; S32-T34 VanDerWaalsContact C-N 3.33Å; S32-T34 PolarHBondContact O-N 3.46Å; S32-Q35 PolarHBondContact O-N 2.96Å; S32-Q35 VanDerWaalsContact O-N 3.16Å; S32-E36 WeakPolarHBondContact O-CG 3.48Å; S32-E36 PolarHBondContact O-N 3.28Å; S32-E36 PolarHBondContact OG-OE1 3.48Å |
| 33 | K | 92.8 | Very high | 93.3 | Very high | 152 Ų | 152 | 94.6 Ų | 94.6 | 66% | 0.661 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.8 | -39.6 | -179 | -171.7 | 175 | -178.7 | 179.2 | 0 | 112.2 | H29 L30 A31 A37 | H29-K33 WeakPolarHBondContact O-CB 3.49Å; H29-K33 PolarHBondContact O-N 3.13Å; L30-K33 PolarHBondContact O-N 3.33Å; A31-K33 PolarHBondContact O-N 3.3Å; K33-A37 WeakPolarHBondContact O-CB 3.45Å; K33-A37 PolarHBondContact O-N 2.99Å |
| 34 | T | 91.3 | Very high | 93.2 | Very high | 88 Ų | 88 | 94.5 Ų | 94.5 | 54% | 0.54 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.3 | -42.7 | 175.2 | -59 | 0 | 0 | 0 | 0 | 111.3 | L30 A31 S32 A37 Q38 | L30-T34 PolarHBondContact O-N 2.95Å; L30-T34 PolarHBondContact O-OG1 3.13Å; L30-T34 VanDerWaalsContact O-OG1 3.07Å; A31-T34 PolarHBondContact O-N 3.07Å; S32-T34 VanDerWaalsContact C-N 3.33Å; S32-T34 PolarHBondContact O-N 3.46Å; T34-A37 PolarHBondContact O-N 3.43Å; T34-Q38 WeakPolarHBondContact O-CB 3.33Å; T34-Q38 PolarHBondContact O-N 3.15Å |
| 35 | Q | 90.8 | Very high | 93.2 | Very high | 143 Ų | 143 | 93.3 Ų | 93.3 | 67% | 0.668 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.9 | -43.8 | 178.9 | -173.9 | 176.2 | -4.1 | 0 | 0 | 112 | A31 S32 Q38 A39 | A31-Q35 WeakPolarHBondContact O-CB 3.48Å; A31-Q35 PolarHBondContact O-N 3.48Å; S32-Q35 PolarHBondContact O-N 2.96Å; S32-Q35 VanDerWaalsContact O-N 3.16Å; Q35-Q38 PolarHBondContact O-N 3.06Å; Q35-A39 WeakPolarHBondContact O-CB 3.45Å; Q35-A39 PolarHBondContact O-N 2.96Å |
| 36 | E | 88.9 | Confident | 93.2 | Very high | 125 Ų | 125 | 93.3 Ų | 93.3 | 58% | 0.584 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.1 | -45.1 | 175.7 | -73.3 | 165.1 | -146.9 | 0 | 0 | 111.9 | S32 Q38 A39 G40 | S32-E36 WeakPolarHBondContact O-CG 3.48Å; S32-E36 PolarHBondContact O-N 3.28Å; S32-E36 PolarHBondContact OG-OE1 3.48Å; E36-Q38 VanDerWaalsContact C-N 3.33Å; E36-Q38 PolarHBondContact O-N 3.08Å; E36-A39 PolarHBondContact O-N 3.26Å; E36-G40 PolarHBondContact O-N 2.95Å |
| 37 | A | 88.9 | Confident | 93.3 | Very high | 66 Ų | 66 | 96.3 Ų | 96.3 | 55% | 0.545 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | K33 T34 S41 | K33-A37 WeakPolarHBondContact O-CB 3.45Å; K33-A37 PolarHBondContact O-N 2.99Å; T34-A37 PolarHBondContact O-N 3.43Å; A37-S41 WeakPolarHBondContact O-CB 3.37Å; A37-S41 PolarHBondContact O-N 3.31Å |
| 38 | Q | 89.8 | Confident | 93.4 | Very high | 115 Ų | 115 | 96.2 Ų | 96.2 | 54% | 0.537 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.3 | -43.4 | 177.8 | -172.6 | 172.2 | -3.3 | 0 | 0 | 111.9 | T34 Q35 E36 S41 Q42 | T34-Q38 WeakPolarHBondContact O-CB 3.33Å; T34-Q38 PolarHBondContact O-N 3.15Å; Q35-Q38 PolarHBondContact O-N 3.06Å; E36-Q38 VanDerWaalsContact C-N 3.33Å; E36-Q38 PolarHBondContact O-N 3.08Å; Q38-S41 PolarHBondContact O-N 2.96Å; Q38-Q42 WeakPolarHBondContact O-CG 3.36Å; Q38-Q42 PolarHBondContact O-N 3.4Å |
| 39 | A | 88.4 | Confident | 93.5 | Very high | 54 Ų | 54 | 92.7 Ų | 92.7 | 45% | 0.446 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63 | -44 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q35 E36 S41 Q42 D43 | Q35-A39 WeakPolarHBondContact O-CB 3.45Å; Q35-A39 PolarHBondContact O-N 2.96Å; E36-A39 PolarHBondContact O-N 3.26Å; A39-S41 VanDerWaalsContact C-N 3.34Å; A39-S41 PolarHBondContact O-N 3.47Å; A39-Q42 PolarHBondContact O-N 3.23Å; A39-D43 PolarHBondContact O-N 3.36Å |
| 40 | G | 90.9 | Very high | 93.6 | Very high | 43 Ų | 43 | 88.6 Ų | 88.6 | 44% | 0.443 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.1 | -39.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E36 D43 M44 | E36-G40 PolarHBondContact O-N 2.95Å; G40-D43 PolarHBondContact O-N 3.01Å; G40-M44 PolarHBondContact O-N 3.32Å; G40-M44 VanDerWaalsContact O-N 3.08Å |
| 41 | S | 92.6 | Very high | 93.8 | Very high | 72 Ų | 72 | 88.6 Ų | 88.6 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 174.6 | -174 | 0 | 0 | 0 | 0 | 111.9 | A37 Q38 A39 M44 V45 | A37-S41 WeakPolarHBondContact O-CB 3.37Å; A37-S41 PolarHBondContact O-N 3.31Å; Q38-S41 PolarHBondContact O-N 2.96Å; A39-S41 VanDerWaalsContact C-N 3.34Å; A39-S41 PolarHBondContact O-N 3.47Å; S41-M44 PolarHBondContact O-N 2.99Å; S41-V45 WeakPolarHBondContact O-CG2 3.47Å; S41-V45 PolarHBondContact O-N 3.49Å |
| 42 | Q | 94.5 | Very high | 94 | Very high | 123 Ų | 123 | 88.7 Ų | 88.7 | 58% | 0.575 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64 | -41.6 | 177.3 | -74.9 | 179.1 | -21.8 | 0 | 0 | 112.7 | Q38 A39 M44 V45 A46 | Q38-Q42 WeakPolarHBondContact O-CG 3.36Å; Q38-Q42 PolarHBondContact O-N 3.4Å; A39-Q42 PolarHBondContact O-N 3.23Å; Q42-M44 VanDerWaalsContact C-N 3.35Å; Q42-V45 PolarHBondContact O-N 2.87Å; Q42-A46 WeakPolarHBondContact O-CB 3.3Å; Q42-A46 PolarHBondContact O-N 3.35Å |
| 43 | D | 95 | Very high | 94.2 | Very high | 83 Ų | 83 | 93.2 Ų | 93.2 | 44% | 0.444 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 175.5 | -179.6 | 60 | 0 | 0 | 0 | 111.7 | A39 G40 A46 K47 | A39-D43 PolarHBondContact O-N 3.36Å; G40-D43 PolarHBondContact O-N 3.01Å; D43-A46 PolarHBondContact O-N 3.05Å; D43-K47 WeakPolarHBondContact O-CG 3.43Å; D43-K47 PolarHBondContact O-N 3.48Å; D43-K47 IonicContact OD1-NZ 3.58Å; D43-K47 VanDerWaalsContact OD2-CE 3.31Å; D43-K47 WeakPolarHBondContact OD2-CE 3.32Å; D43-K47 IonicContact OD2-NZ 3.43Å; D43-K47 PolarHBondContact OD2-NZ 3.25Å |
| 44 | M | 95.8 | Very high | 94.5 | Very high | 107 Ų | 107 | 92.3 Ų | 92.3 | 53% | 0.527 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 175.8 | -171.8 | 65.9 | -173.8 | 0 | 0 | 111.9 | G40 S41 Q42 A46 K47 L48 | G40-M44 PolarHBondContact O-N 3.32Å; G40-M44 VanDerWaalsContact O-N 3.08Å; S41-M44 PolarHBondContact O-N 2.99Å; Q42-M44 VanDerWaalsContact C-N 3.35Å; M44-A46 VanDerWaalsContact C-N 3.35Å; M44-A46 PolarHBondContact O-N 3.23Å; M44-K47 PolarHBondContact O-N 3.2Å; M44-L48 HydrophobicContact CE-CD1 4.26Å; M44-L48 HydrophobicContact CE-CD2 4.33Å; M44-L48 HydrophobicContact CE-CG 4.25Å; M44-L48 HydrophobicContact CG-CD1 4.37Å; M44-L48 WeakPolarHBondContact O-CG 3.48Å; M44-L48 PolarHBondContact O-N 3.48Å |
| 45 | V | 96.4 | Very high | 94.8 | Very high | 75 Ų | 75 | 94.5 Ų | 94.5 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.3 | -43 | 177 | 171.4 | 0 | 0 | 0 | 0 | 111 | S41 Q42 K47 L48 L49 | S41-V45 WeakPolarHBondContact O-CG2 3.47Å; S41-V45 PolarHBondContact O-N 3.49Å; Q42-V45 PolarHBondContact O-N 2.87Å; V45-K47 VanDerWaalsContact C-N 3.34Å; V45-K47 PolarHBondContact O-N 3.1Å; V45-L48 PolarHBondContact O-N 3Å; V45-L49 HydrophobicContact CG1-CD1 4.04Å; V45-L49 HydrophobicContact CG1-CG 4.43Å; V45-L49 WeakPolarHBondContact O-CG 3.44Å; V45-L49 PolarHBondContact O-N 3.43Å |
| 46 | A | 96.9 | Very high | 95.2 | Very high | 55 Ų | 55 | 92.2 Ų | 92.2 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.8 | -42.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q42 D43 M44 L49 A50 | Q42-A46 WeakPolarHBondContact O-CB 3.3Å; Q42-A46 PolarHBondContact O-N 3.35Å; D43-A46 PolarHBondContact O-N 3.05Å; M44-A46 VanDerWaalsContact C-N 3.35Å; M44-A46 PolarHBondContact O-N 3.23Å; A46-L49 PolarHBondContact O-N 2.93Å; A46-A50 PolarHBondContact O-N 2.94Å |
| 47 | K | 97.4 | Very high | 95.6 | Very high | 110 Ų | 110 | 92.7 Ų | 92.7 | 48% | 0.478 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63 | -44.6 | 175.5 | -74.8 | 169.3 | 178.4 | 163.6 | 0 | 112.5 | D43 M44 V45 L49 A50 Q51 | D43-K47 WeakPolarHBondContact O-CG 3.43Å; D43-K47 PolarHBondContact O-N 3.48Å; D43-K47 IonicContact OD1-NZ 3.58Å; D43-K47 VanDerWaalsContact OD2-CE 3.31Å; D43-K47 WeakPolarHBondContact OD2-CE 3.32Å; D43-K47 IonicContact OD2-NZ 3.43Å; D43-K47 PolarHBondContact OD2-NZ 3.25Å; M44-K47 PolarHBondContact O-N 3.2Å; V45-K47 VanDerWaalsContact C-N 3.34Å; V45-K47 PolarHBondContact O-N 3.1Å; K47-L49 VanDerWaalsContact C-N 3.33Å; K47-L49 PolarHBondContact O-N 3.42Å; K47-A50 PolarHBondContact O-N 3.27Å; K47-Q51 WeakPolarHBondContact O-CG 3.26Å; K47-Q51 PolarHBondContact O-N 3.42Å |
| 48 | L | 98 | Very high | 96.1 | Very high | 88 Ų | 88 | 93.9 Ų | 93.9 | 46% | 0.461 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.3 | -39.5 | 177.4 | -72.6 | 172.5 | 0 | 0 | 0 | 111.9 | M44 V45 Q51 S52 | M44-L48 HydrophobicContact CE-CD1 4.26Å; M44-L48 HydrophobicContact CE-CD2 4.33Å; M44-L48 HydrophobicContact CE-CG 4.25Å; M44-L48 HydrophobicContact CG-CD1 4.37Å; M44-L48 WeakPolarHBondContact O-CG 3.48Å; M44-L48 PolarHBondContact O-N 3.48Å; V45-L48 PolarHBondContact O-N 3Å; L48-Q51 PolarHBondContact O-N 3.33Å; L48-S52 WeakPolarHBondContact O-CB 3.49Å; L48-S52 PolarHBondContact O-N 3.28Å |
| 49 | L | 98 | Very high | 96.5 | Very high | 95 Ų | 95 | 93.8 Ų | 93.8 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.3 | -46.3 | 175 | -72.9 | 172 | 0 | 0 | 0 | 111.6 | V45 A46 K47 Q51 S52 Y53 | V45-L49 HydrophobicContact CG1-CD1 4.04Å; V45-L49 HydrophobicContact CG1-CG 4.43Å; V45-L49 WeakPolarHBondContact O-CG 3.44Å; V45-L49 PolarHBondContact O-N 3.43Å; A46-L49 PolarHBondContact O-N 2.93Å; K47-L49 VanDerWaalsContact C-N 3.33Å; K47-L49 PolarHBondContact O-N 3.42Å; L49-Q51 VanDerWaalsContact C-N 3.35Å; L49-Q51 PolarHBondContact O-N 3.01Å; L49-S52 WeakPolarHBondContact O-CB 3.38Å; L49-S52 PolarHBondContact O-N 3.4Å; L49-Y53 WeakPolarHBondContact O-CD2 3.3Å; L49-Y53 PolarHBondContact O-N 2.87Å |
| 50 | A | 97.8 | Very high | 97 | Very high | 47 Ų | 47 | 94.7 Ų | 94.7 | 39% | 0.388 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.3 | -47.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A46 K47 S52 Y53 E54 | A46-A50 PolarHBondContact O-N 2.94Å; K47-A50 PolarHBondContact O-N 3.27Å; A50-S52 VanDerWaalsContact C-N 3.34Å; A50-S52 PolarHBondContact O-N 2.92Å; A50-Y53 PolarHBondContact O-N 3.23Å; A50-E54 WeakPolarHBondContact O-CG 3.3Å; A50-E54 PolarHBondContact O-N 2.85Å |
| 51 | Q | 98.2 | Very high | 97.3 | Very high | 106 Ų | 106 | 97.4 Ų | 97.4 | 50% | 0.495 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.5 | -42.2 | 175.5 | -73.9 | -179.9 | -19.7 | 0 | 0 | 112.3 | K47 L48 L49 Y53 E54 Q55 | K47-Q51 WeakPolarHBondContact O-CG 3.26Å; K47-Q51 PolarHBondContact O-N 3.42Å; L48-Q51 PolarHBondContact O-N 3.33Å; L49-Q51 VanDerWaalsContact C-N 3.35Å; L49-Q51 PolarHBondContact O-N 3.01Å; Q51-Y53 VanDerWaalsContact C-N 3.33Å; Q51-Y53 PolarHBondContact O-N 3.43Å; Q51-E54 PolarHBondContact O-N 2.92Å; Q51-Q55 WeakPolarHBondContact O-CB 3.46Å; Q51-Q55 VanDerWaalsContact O-CG 3.24Å; Q51-Q55 WeakPolarHBondContact O-CG 3.43Å; Q51-Q55 PolarHBondContact O-N 3.41Å |
| 52 | S | 98.2 | Very high | 97.6 | Very high | 63 Ų | 63 | 98 Ų | 98 | 44% | 0.441 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 176.7 | -174.7 | 0 | 0 | 0 | 0 | 111.9 | L48 L49 A50 Q56 | L48-S52 WeakPolarHBondContact O-CB 3.49Å; L48-S52 PolarHBondContact O-N 3.28Å; L49-S52 WeakPolarHBondContact O-CB 3.38Å; L49-S52 PolarHBondContact O-N 3.4Å; A50-S52 VanDerWaalsContact C-N 3.34Å; A50-S52 PolarHBondContact O-N 2.92Å; S52-Q56 WeakPolarHBondContact O-CB 3.45Å; S52-Q56 PolarHBondContact O-N 2.98Å |
| 53 | Y | 98.4 | Very high | 97.8 | Very high | 148 Ų | 148 | 96.6 Ų | 96.6 | 58% | 0.58 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67.5 | -43.9 | 177.2 | -80.1 | -62.4 | 0 | 0 | 0 | 112.1 | L49 A50 Q51 Q55 Q56 Q57 | L49-Y53 WeakPolarHBondContact O-CD2 3.3Å; L49-Y53 PolarHBondContact O-N 2.87Å; A50-Y53 PolarHBondContact O-N 3.23Å; Q51-Y53 VanDerWaalsContact C-N 3.33Å; Q51-Y53 PolarHBondContact O-N 3.43Å; Y53-Q55 VanDerWaalsContact C-N 3.35Å; Y53-Q56 PolarHBondContact O-N 3.4Å; Y53-Q57 WeakPolarHBondContact O-CG 3.35Å; Y53-Q57 PolarHBondContact O-N 2.95Å |
| 54 | E | 98.1 | Very high | 98 | Very high | 132 Ų | 132 | 100.2 Ų | 100.2 | 62% | 0.617 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.5 | -45.4 | 176 | -72.7 | 173.6 | -176.5 | 0 | 0 | 111.3 | A50 Q51 Q56 Q57 E58 | A50-E54 WeakPolarHBondContact O-CG 3.3Å; A50-E54 PolarHBondContact O-N 2.85Å; Q51-E54 PolarHBondContact O-N 2.92Å; E54-Q56 PolarHBondContact O-N 3.4Å; E54-Q57 PolarHBondContact O-N 3.32Å; E54-E58 PolarHBondContact O-N 3.47Å |
| 55 | Q | 98.1 | Very high | 98.1 | Very high | 135 Ų | 135 | 99.4 Ų | 99.4 | 63% | 0.631 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.5 | -43 | 176.4 | -75.2 | 175.7 | -8.5 | 0 | 0 | 112.1 | Q51 Y53 E58 Q59 | Q51-Q55 WeakPolarHBondContact O-CB 3.46Å; Q51-Q55 VanDerWaalsContact O-CG 3.24Å; Q51-Q55 WeakPolarHBondContact O-CG 3.43Å; Q51-Q55 PolarHBondContact O-N 3.41Å; Y53-Q55 VanDerWaalsContact C-N 3.35Å; Q55-E58 PolarHBondContact O-N 3.31Å; Q55-Q59 WeakPolarHBondContact O-CB 3.43Å; Q55-Q59 PolarHBondContact O-N 2.88Å |
| 56 | Q | 98.3 | Very high | 98.2 | Very high | 95 Ų | 95 | 100.2 Ų | 100.2 | 44% | 0.444 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 177.1 | -176.2 | 178.8 | -7.7 | 0 | 0 | 111.6 | S52 Y53 E54 Q59 E60 | S52-Q56 WeakPolarHBondContact O-CB 3.45Å; S52-Q56 PolarHBondContact O-N 2.98Å; Y53-Q56 PolarHBondContact O-N 3.4Å; E54-Q56 PolarHBondContact O-N 3.4Å; Q56-Q59 PolarHBondContact O-N 3.01Å; Q56-E60 PolarHBondContact NE2-OE1 3.3Å; Q56-E60 WeakPolarHBondContact O-CG 3.11Å; Q56-E60 PolarHBondContact O-N 2.98Å |
| 57 | Q | 98.4 | Very high | 98.3 | Very high | 134 Ų | 134 | 100.6 Ų | 100.6 | 63% | 0.626 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.3 | -42.9 | 177.5 | -75.8 | -175.7 | -7.1 | 0 | 0 | 112.4 | Y53 E54 Q59 E60 K61 | Y53-Q57 WeakPolarHBondContact O-CG 3.35Å; Y53-Q57 PolarHBondContact O-N 2.95Å; E54-Q57 PolarHBondContact O-N 3.32Å; Q57-Q59 VanDerWaalsContact C-N 3.34Å; Q57-E60 PolarHBondContact O-N 3.33Å; Q57-K61 WeakPolarHBondContact O-CB 3.38Å; Q57-K61 PolarHBondContact O-N 3.39Å |
| 58 | E | 98.3 | Very high | 98.3 | Very high | 92 Ų | 92 | 101.7 Ų | 101.7 | 43% | 0.43 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.9 | -39.8 | 176.7 | -171.7 | 60.7 | -161.8 | 0 | 0 | 111 | E54 Q55 K61 L62 | E54-E58 PolarHBondContact O-N 3.47Å; Q55-E58 PolarHBondContact O-N 3.31Å; E58-K61 PolarHBondContact O-N 2.94Å; E58-L62 HydrophobicContact CG-CD1 4.27Å; E58-L62 WeakPolarHBondContact O-CG 3.47Å; E58-L62 PolarHBondContact O-N 3.22Å |
| 59 | Q | 98.5 | Very high | 98.4 | Very high | 113 Ų | 113 | 102.8 Ų | 102.8 | 53% | 0.528 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.9 | -48.8 | 174.2 | -174.7 | -177.5 | -17.7 | 0 | 0 | 111.5 | Q55 Q56 Q57 K61 L62 E63 | Q55-Q59 WeakPolarHBondContact O-CB 3.43Å; Q55-Q59 PolarHBondContact O-N 2.88Å; Q56-Q59 PolarHBondContact O-N 3.01Å; Q57-Q59 VanDerWaalsContact C-N 3.34Å; Q59-K61 VanDerWaalsContact C-N 3.26Å; Q59-K61 PolarHBondContact O-N 3.48Å; Q59-L62 PolarHBondContact O-N 2.97Å; Q59-E63 HydrophobicContact CG-CG 4.47Å; Q59-E63 PolarHBondContact NE2-OE1 2.9Å; Q59-E63 WeakPolarHBondContact O-CB 3.37Å; Q59-E63 WeakPolarHBondContact O-CG 3.44Å; Q59-E63 PolarHBondContact O-N 2.91Å |
| 60 | E | 98.4 | Very high | 98.4 | Very high | 73 Ų | 73 | 106.1 Ų | 106.1 | 34% | 0.341 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.2 | -37.6 | 177.9 | -75.5 | -179.2 | -162.5 | 0 | 0 | 112.2 | Q56 Q57 R64 | Q56-E60 PolarHBondContact NE2-OE1 3.3Å; Q56-E60 WeakPolarHBondContact O-CG 3.11Å; Q56-E60 PolarHBondContact O-N 2.98Å; Q57-E60 PolarHBondContact O-N 3.33Å; E60-R64 VanDerWaalsContact O-CG 3.3Å; E60-R64 WeakPolarHBondContact O-CG 3.36Å; E60-R64 PolarHBondContact O-N 3.45Å; E60-R64 VanDerWaalsContact O-N 3.1Å; E60-R64 IonicContact OE2-NH2 3.4Å; E60-R64 PolarHBondContact OE2-NH2 3.3Å |
| 61 | K | 98.5 | Very high | 98.4 | Very high | 99 Ų | 99 | 105.2 Ų | 105.2 | 43% | 0.43 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.3 | -48.1 | 176.2 | -178 | -173.6 | 165.7 | -155.4 | 0 | 111.2 | Q57 E58 Q59 E63 R64 E65 | Q57-K61 WeakPolarHBondContact O-CB 3.38Å; Q57-K61 PolarHBondContact O-N 3.39Å; E58-K61 PolarHBondContact O-N 2.94Å; Q59-K61 VanDerWaalsContact C-N 3.26Å; Q59-K61 PolarHBondContact O-N 3.48Å; K61-E63 VanDerWaalsContact C-N 3.31Å; K61-E63 PolarHBondContact O-N 3.46Å; K61-R64 WeakPolarHBondContact O-CB 3.48Å; K61-R64 PolarHBondContact O-N 3.5Å; K61-E65 VanDerWaalsContact CE-OE1 3.3Å; K61-E65 WeakPolarHBondContact CE-OE1 3.36Å; K61-E65 PolarHBondContact O-N 3Å |
| 62 | L | 98.6 | Very high | 98.4 | Very high | 84 Ų | 84 | 102.3 Ų | 102.3 | 44% | 0.44 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.4 | -38.6 | 177.2 | -70.1 | 173.2 | 0 | 0 | 0 | 111.9 | E58 Q59 R64 E65 M66 | E58-L62 HydrophobicContact CG-CD1 4.27Å; E58-L62 WeakPolarHBondContact O-CG 3.47Å; E58-L62 PolarHBondContact O-N 3.22Å; Q59-L62 PolarHBondContact O-N 2.97Å; L62-R64 VanDerWaalsContact C-N 3.34Å; L62-R64 PolarHBondContact O-N 2.95Å; L62-E65 PolarHBondContact O-N 3.44Å; L62-M66 WeakPolarHBondContact O-CB 3.32Å; L62-M66 WeakPolarHBondContact O-CG 3.43Å; L62-M66 PolarHBondContact O-N 2.95Å |
| 63 | E | 98.6 | Very high | 98.5 | Very high | 95 Ų | 95 | 104.4 Ų | 104.4 | 44% | 0.444 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.8 | -41 | 175.1 | -76.3 | 175.4 | -174.4 | 0 | 0 | 112.1 | Q59 K61 M66 A67 | Q59-E63 HydrophobicContact CG-CG 4.47Å; Q59-E63 PolarHBondContact NE2-OE1 2.9Å; Q59-E63 WeakPolarHBondContact O-CB 3.37Å; Q59-E63 WeakPolarHBondContact O-CG 3.44Å; Q59-E63 PolarHBondContact O-N 2.91Å; K61-E63 VanDerWaalsContact C-N 3.31Å; K61-E63 PolarHBondContact O-N 3.46Å; E63-M66 HydrophobicContact CG-CE 4.16Å; E63-M66 PolarHBondContact O-N 3.43Å; E63-A67 PolarHBondContact O-N 3.2Å |
| 64 | R | 98.4 | Very high | 98.5 | Very high | 159 Ų | 159 | 102.4 Ų | 102.4 | 60% | 0.6 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.5 | -45.3 | 174.2 | -69.9 | 170.8 | -166.2 | 154.1 | 13 | 111.7 | E60 K61 L62 M66 A67 L68 | E60-R64 VanDerWaalsContact O-CG 3.3Å; E60-R64 WeakPolarHBondContact O-CG 3.36Å; E60-R64 PolarHBondContact O-N 3.45Å; E60-R64 VanDerWaalsContact O-N 3.1Å; E60-R64 IonicContact OE2-NH2 3.4Å; E60-R64 PolarHBondContact OE2-NH2 3.3Å; K61-R64 WeakPolarHBondContact O-CB 3.48Å; K61-R64 PolarHBondContact O-N 3.5Å; L62-R64 VanDerWaalsContact C-N 3.34Å; L62-R64 PolarHBondContact O-N 2.95Å; R64-M66 PolarHBondContact O-N 2.92Å; R64-A67 PolarHBondContact O-N 2.93Å; R64-L68 WeakPolarHBondContact O-CG 3.42Å; R64-L68 PolarHBondContact O-N 3.33Å |
| 65 | E | 98.5 | Very high | 98.5 | Very high | 89 Ų | 89 | 100.3 Ų | 100.3 | 42% | 0.416 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 177.3 | -71.8 | 178.9 | -167.9 | 0 | 0 | 111.6 | K61 L62 A67 L68 L69 | K61-E65 VanDerWaalsContact CE-OE1 3.3Å; K61-E65 WeakPolarHBondContact CE-OE1 3.36Å; K61-E65 PolarHBondContact O-N 3Å; L62-E65 PolarHBondContact O-N 3.44Å; E65-A67 VanDerWaalsContact C-N 3.33Å; E65-A67 PolarHBondContact O-N 3.33Å; E65-L68 PolarHBondContact O-N 3.02Å; E65-L69 WeakPolarHBondContact O-CG 3.38Å; E65-L69 PolarHBondContact O-N 2.98Å |
| 66 | M | 98.6 | Very high | 98.5 | Very high | 93 Ų | 93 | 100.4 Ų | 100.4 | 46% | 0.458 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.4 | -41.2 | 174.1 | -78 | -163.6 | -63 | 0 | 0 | 112.3 | L62 E63 R64 L69 R70 | L62-M66 WeakPolarHBondContact O-CB 3.32Å; L62-M66 WeakPolarHBondContact O-CG 3.43Å; L62-M66 PolarHBondContact O-N 2.95Å; E63-M66 HydrophobicContact CG-CE 4.16Å; E63-M66 PolarHBondContact O-N 3.43Å; R64-M66 PolarHBondContact O-N 2.92Å; M66-L69 PolarHBondContact O-N 2.67Å; M66-R70 WeakPolarHBondContact O-CB 3.24Å; M66-R70 VanDerWaalsContact O-CG 3.26Å; M66-R70 WeakPolarHBondContact O-CG 3.37Å; M66-R70 PolarHBondContact O-N 2.94Å |
| 67 | A | 98.5 | Very high | 98.5 | Very high | 62 Ų | 62 | 103.2 Ų | 103.2 | 51% | 0.512 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | E63 R64 E65 R70 G71 | E63-A67 PolarHBondContact O-N 3.2Å; R64-A67 PolarHBondContact O-N 2.93Å; E65-A67 VanDerWaalsContact C-N 3.33Å; E65-A67 PolarHBondContact O-N 3.33Å; A67-R70 PolarHBondContact O-N 3.4Å; A67-G71 PolarHBondContact O-N 2.89Å; A67-G71 VanDerWaalsContact O-N 3.08Å |
| 68 | L | 98.6 | Very high | 98.5 | Very high | 133 Ų | 133 | 103.3 Ų | 103.3 | 70% | 0.696 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63 | -45.8 | 175.7 | -68.5 | 174.2 | 0 | 0 | 0 | 111.9 | R64 E65 R70 G71 A72 | R64-L68 WeakPolarHBondContact O-CG 3.42Å; R64-L68 PolarHBondContact O-N 3.33Å; E65-L68 PolarHBondContact O-N 3.02Å; L68-R70 VanDerWaalsContact C-N 3.35Å; L68-R70 PolarHBondContact O-N 3.49Å; L68-G71 PolarHBondContact O-N 2.95Å; L68-A72 PolarHBondContact O-N 3.35Å |
| 69 | L | 98.6 | Very high | 98.6 | Very high | 112 Ų | 112 | 104.4 Ų | 104.4 | 59% | 0.586 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.2 | -40.6 | 178.1 | -72.5 | 173.6 | 0 | 0 | 0 | 112 | E65 M66 A72 I73 | E65-L69 WeakPolarHBondContact O-CG 3.38Å; E65-L69 PolarHBondContact O-N 2.98Å; M66-L69 PolarHBondContact O-N 2.67Å; L69-A72 PolarHBondContact O-N 3.08Å; L69-I73 VanDerWaalsContact O-CG1 3.3Å; L69-I73 WeakPolarHBondContact O-CG1 3.36Å; L69-I73 PolarHBondContact O-N 2.98Å |
| 70 | R | 98.6 | Very high | 98.6 | Very high | 165 Ų | 165 | 101.1 Ų | 101.1 | 62% | 0.623 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.2 | -45.9 | 174.8 | -75.4 | 175.4 | -175.2 | -166.1 | 3.7 | 111.6 | M66 A67 L68 A72 I73 E74 | M66-R70 WeakPolarHBondContact O-CB 3.24Å; M66-R70 VanDerWaalsContact O-CG 3.26Å; M66-R70 WeakPolarHBondContact O-CG 3.37Å; M66-R70 PolarHBondContact O-N 2.94Å; A67-R70 PolarHBondContact O-N 3.4Å; L68-R70 VanDerWaalsContact C-N 3.35Å; L68-R70 PolarHBondContact O-N 3.49Å; R70-A72 PolarHBondContact O-N 3.33Å; R70-I73 PolarHBondContact O-N 3.29Å; R70-E74 WeakPolarHBondContact O-CG 3.33Å; R70-E74 PolarHBondContact O-N 3.02Å |
| 71 | G | 98.4 | Very high | 98.6 | Very high | 28 Ų | 28 | 101.6 Ų | 101.6 | 29% | 0.289 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.9 | -45.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A67 L68 I73 E74 D75 | A67-G71 PolarHBondContact O-N 2.89Å; A67-G71 VanDerWaalsContact O-N 3.08Å; L68-G71 PolarHBondContact O-N 2.95Å; G71-I73 VanDerWaalsContact C-N 3.34Å; G71-I73 PolarHBondContact O-N 3.47Å; G71-E74 PolarHBondContact O-N 3.33Å; G71-D75 PolarHBondContact O-N 2.89Å |
| 72 | A | 98.6 | Very high | 98.6 | Very high | 45 Ų | 45 | 102 Ų | 102 | 37% | 0.372 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.1 | -39.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L68 L69 R70 D75 Q76 | L68-A72 PolarHBondContact O-N 3.35Å; L69-A72 PolarHBondContact O-N 3.08Å; R70-A72 PolarHBondContact O-N 3.33Å; A72-D75 PolarHBondContact O-N 2.97Å; A72-Q76 WeakPolarHBondContact O-CB 3.46Å; A72-Q76 VanDerWaalsContact O-CG 3.32Å; A72-Q76 WeakPolarHBondContact O-CG 3.37Å; A72-Q76 PolarHBondContact O-N 3.5Å |
| 73 | I | 98.6 | Very high | 98.6 | Very high | 107 Ų | 107 | 102.8 Ų | 102.8 | 55% | 0.549 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.4 | -42.5 | 176 | -70.4 | 166 | 0 | 0 | 0 | 110.8 | L69 R70 G71 D75 Q76 R77 | L69-I73 VanDerWaalsContact O-CG1 3.3Å; L69-I73 WeakPolarHBondContact O-CG1 3.36Å; L69-I73 PolarHBondContact O-N 2.98Å; R70-I73 PolarHBondContact O-N 3.29Å; G71-I73 VanDerWaalsContact C-N 3.34Å; G71-I73 PolarHBondContact O-N 3.47Å; I73-D75 VanDerWaalsContact C-N 3.34Å; I73-Q76 PolarHBondContact O-N 3.43Å; I73-R77 WeakPolarHBondContact O-CB 3.4Å; I73-R77 PolarHBondContact O-N 3.45Å |
| 74 | E | 98.6 | Very high | 98.6 | Very high | 106 Ų | 106 | 104.8 Ų | 104.8 | 50% | 0.495 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.7 | -40.2 | 176.7 | -72.5 | 177.7 | -178.5 | 0 | 0 | 112 | R70 G71 R77 R78 | R70-E74 WeakPolarHBondContact O-CG 3.33Å; R70-E74 PolarHBondContact O-N 3.02Å; G71-E74 PolarHBondContact O-N 3.33Å; E74-R77 PolarHBondContact O-N 3.35Å; E74-R78 WeakPolarHBondContact O-CG 3.37Å; E74-R78 PolarHBondContact O-N 3.07Å |
| 75 | D | 98.6 | Very high | 98.6 | Very high | 87 Ų | 87 | 103.1 Ų | 103.1 | 47% | 0.465 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.5 | -46.4 | 174 | -73.8 | -18.9 | 0 | 0 | 0 | 112 | G71 A72 I73 R77 R78 H79 | G71-D75 PolarHBondContact O-N 2.89Å; A72-D75 PolarHBondContact O-N 2.97Å; I73-D75 VanDerWaalsContact C-N 3.34Å; D75-R77 VanDerWaalsContact C-N 3.31Å; D75-R77 PolarHBondContact O-N 3.16Å; D75-R78 PolarHBondContact O-N 3.49Å; D75-R78 IonicContact OD1-CZ 3.25Å; D75-R78 IonicContact OD1-NE 3.79Å; D75-R78 IonicContact OD1-NH2 2.67Å; D75-R78 PolarHBondContact OD1-NH2 3.04Å; D75-H79 WeakPolarHBondContact O-CB 3.31Å; D75-H79 PolarHBondContact O-N 3.37Å |
| 76 | Q | 98.6 | Very high | 98.6 | Very high | 137 Ų | 137 | 101.5 Ų | 101.5 | 64% | 0.64 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.6 | -40 | 175.6 | -75.3 | 178.4 | -9.7 | 0 | 0 | 111.8 | A72 I73 H79 A80 | A72-Q76 WeakPolarHBondContact O-CB 3.46Å; A72-Q76 VanDerWaalsContact O-CG 3.32Å; A72-Q76 WeakPolarHBondContact O-CG 3.37Å; A72-Q76 PolarHBondContact O-N 3.5Å; I73-Q76 PolarHBondContact O-N 3.43Å; Q76-H79 PolarHBondContact O-N 2.94Å; Q76-A80 PolarHBondContact O-N 3.34Å |
| 77 | R | 98.7 | Very high | 98.6 | Very high | 155 Ų | 155 | 101.9 Ų | 101.9 | 59% | 0.585 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.7 | -47.6 | 176.2 | -164.1 | -175 | 79.8 | -158.9 | -5.5 | 111.3 | I73 E74 D75 H79 A80 E81 | I73-R77 WeakPolarHBondContact O-CB 3.4Å; I73-R77 PolarHBondContact O-N 3.45Å; E74-R77 PolarHBondContact O-N 3.35Å; D75-R77 VanDerWaalsContact C-N 3.31Å; D75-R77 PolarHBondContact O-N 3.16Å; R77-H79 VanDerWaalsContact C-N 3.26Å; R77-H79 PolarHBondContact O-N 2.92Å; R77-A80 PolarHBondContact O-N 3.48Å; R77-E81 IonicContact NE-OE1 3.22Å; R77-E81 PolarHBondContact NE-OE1 3.37Å; R77-E81 VanDerWaalsContact NE-OE1 3.13Å; R77-E81 WeakPolarHBondContact O-CG 3.43Å; R77-E81 PolarHBondContact O-N 3.46Å |
| 78 | R | 98.7 | Very high | 98.6 | Very high | 135 Ų | 135 | 100.2 Ų | 100.2 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.3 | -39.8 | 174.7 | -73.9 | -173.7 | -79.5 | -163.5 | -6.3 | 111.9 | E74 D75 E81 L82 | E74-R78 WeakPolarHBondContact O-CG 3.37Å; E74-R78 PolarHBondContact O-N 3.07Å; D75-R78 PolarHBondContact O-N 3.49Å; D75-R78 IonicContact OD1-CZ 3.25Å; D75-R78 IonicContact OD1-NE 3.79Å; D75-R78 IonicContact OD1-NH2 2.67Å; D75-R78 PolarHBondContact OD1-NH2 3.04Å; R78-E81 PolarHBondContact O-N 3.44Å; R78-L82 WeakPolarHBondContact O-CG 3.38Å; R78-L82 PolarHBondContact O-N 3.01Å; R78-L82 VanDerWaalsContact O-N 3.15Å |
| 79 | H | 98.6 | Very high | 98.6 | Very high | 115 Ų | 115 | 98.5 Ų | 98.5 | 53% | 0.532 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.4 | -43.6 | 176.9 | -169.5 | 61.2 | 0 | 0 | 0 | 112.2 | D75 Q76 R77 L82 L83 | D75-H79 WeakPolarHBondContact O-CB 3.31Å; D75-H79 PolarHBondContact O-N 3.37Å; Q76-H79 PolarHBondContact O-N 2.94Å; R77-H79 VanDerWaalsContact C-N 3.26Å; R77-H79 PolarHBondContact O-N 2.92Å; H79-L82 PolarHBondContact O-N 3.22Å; H79-L83 WeakPolarHBondContact O-CG 3.35Å; H79-L83 PolarHBondContact O-N 2.94Å |
| 80 | A | 98.6 | Very high | 98.6 | Very high | 44 Ų | 44 | 95.9 Ų | 95.9 | 36% | 0.364 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.9 | -44.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q76 R77 L82 L83 E84 | Q76-A80 PolarHBondContact O-N 3.34Å; R77-A80 PolarHBondContact O-N 3.48Å; A80-L82 VanDerWaalsContact C-N 3.3Å; A80-L82 PolarHBondContact O-N 2.96Å; A80-L83 PolarHBondContact O-N 3.38Å; A80-L83 VanDerWaalsContact O-N 3.13Å; A80-E84 WeakPolarHBondContact O-CG 3.37Å; A80-E84 PolarHBondContact O-N 2.94Å |
| 81 | E | 98.7 | Very high | 98.6 | Very high | 83 Ų | 83 | 93.7 Ų | 93.7 | 39% | 0.388 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57.4 | -41.5 | 176.5 | -71.4 | 167.4 | -160.5 | 0 | 0 | 111.8 | R77 R78 E84 Q85 | R77-E81 IonicContact NE-OE1 3.22Å; R77-E81 PolarHBondContact NE-OE1 3.37Å; R77-E81 VanDerWaalsContact NE-OE1 3.13Å; R77-E81 WeakPolarHBondContact O-CG 3.43Å; R77-E81 PolarHBondContact O-N 3.46Å; R78-E81 PolarHBondContact O-N 3.44Å; E81-E84 PolarHBondContact O-N 3.4Å; E81-Q85 WeakPolarHBondContact O-CG 3.35Å; E81-Q85 PolarHBondContact O-N 2.94Å |
| 82 | L | 98.7 | Very high | 98.6 | Very high | 107 Ų | 107 | 95.5 Ų | 95.5 | 56% | 0.56 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.9 | -39.7 | 176.6 | -70.8 | 168 | 0 | 0 | 0 | 112.4 | R78 H79 A80 Q85 A86 | R78-L82 WeakPolarHBondContact O-CG 3.38Å; R78-L82 PolarHBondContact O-N 3.01Å; R78-L82 VanDerWaalsContact O-N 3.15Å; H79-L82 PolarHBondContact O-N 3.22Å; A80-L82 VanDerWaalsContact C-N 3.3Å; A80-L82 PolarHBondContact O-N 2.96Å; L82-Q85 PolarHBondContact O-N 3.31Å; L82-A86 WeakPolarHBondContact O-CB 3.41Å; L82-A86 PolarHBondContact O-N 2.97Å |
| 83 | L | 98.6 | Very high | 98.6 | Very high | 101 Ų | 101 | 102.5 Ų | 102.5 | 53% | 0.529 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.6 | -41 | 176.6 | -71.6 | 174.3 | 0 | 0 | 0 | 111.6 | H79 A80 A86 L87 | H79-L83 WeakPolarHBondContact O-CG 3.35Å; H79-L83 PolarHBondContact O-N 2.94Å; A80-L83 PolarHBondContact O-N 3.38Å; A80-L83 VanDerWaalsContact O-N 3.13Å; L83-A86 PolarHBondContact O-N 3.37Å; L83-L87 WeakPolarHBondContact O-CB 3.34Å; L83-L87 PolarHBondContact O-N 2.88Å |
| 84 | E | 98.7 | Very high | 98.6 | Very high | 138 Ų | 138 | 99.8 Ų | 99.8 | 65% | 0.645 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.5 | -43.9 | 175.2 | -74.3 | 178.6 | 179.4 | 0 | 0 | 111.6 | A80 E81 L87 G88 | A80-E84 WeakPolarHBondContact O-CG 3.37Å; A80-E84 PolarHBondContact O-N 2.94Å; E81-E84 PolarHBondContact O-N 3.4Å; E84-L87 PolarHBondContact O-N 3.01Å; E84-G88 PolarHBondContact O-N 3.22Å |
| 85 | Q | 98.7 | Very high | 98.6 | Very high | 123 Ų | 123 | 97.4 Ų | 97.4 | 58% | 0.575 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.6 | -44.9 | 174.9 | -72.4 | 178.9 | 6.3 | 0 | 0 | 112.1 | E81 L82 L87 G88 N89 | E81-Q85 WeakPolarHBondContact O-CG 3.35Å; E81-Q85 PolarHBondContact O-N 2.94Å; L82-Q85 PolarHBondContact O-N 3.31Å; Q85-L87 VanDerWaalsContact C-N 3.33Å; Q85-L87 PolarHBondContact O-N 3.31Å; Q85-G88 PolarHBondContact O-N 2.87Å; Q85-N89 WeakPolarHBondContact O-CB 3.39Å; Q85-N89 VanDerWaalsContact O-CG 3.23Å; Q85-N89 PolarHBondContact O-N 2.89Å; Q85-N89 PolarHBondContact O-ND2 2.89Å; Q85-N89 VanDerWaalsContact O-ND2 3.11Å |
| 86 | A | 98.7 | Very high | 98.5 | Very high | 56 Ų | 56 | 101.7 Ų | 101.7 | 46% | 0.463 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L82 L83 N89 A90 | L82-A86 WeakPolarHBondContact O-CB 3.41Å; L82-A86 PolarHBondContact O-N 2.97Å; L83-A86 PolarHBondContact O-N 3.37Å; A86-N89 PolarHBondContact O-N 2.95Å; A86-A90 WeakPolarHBondContact O-CB 3.4Å; A86-A90 PolarHBondContact O-N 3.36Å |
| 87 | L | 98.7 | Very high | 98.5 | Very high | 101 Ų | 101 | 97.9 Ų | 97.9 | 53% | 0.529 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.1 | -48.9 | 176.4 | -180 | 61.7 | 0 | 0 | 0 | 111.4 | L83 E84 Q85 N89 A90 Q91 | L83-L87 WeakPolarHBondContact O-CB 3.34Å; L83-L87 PolarHBondContact O-N 2.88Å; E84-L87 PolarHBondContact O-N 3.01Å; Q85-L87 VanDerWaalsContact C-N 3.33Å; Q85-L87 PolarHBondContact O-N 3.31Å; L87-N89 VanDerWaalsContact C-N 3.28Å; L87-N89 PolarHBondContact O-N 3.42Å; L87-A90 PolarHBondContact O-N 3.43Å; L87-A90 VanDerWaalsContact O-N 3.13Å; L87-Q91 HydrophobicContact CD1-CG 4.23Å; L87-Q91 HydrophobicContact CG-CG 4.46Å; L87-Q91 WeakPolarHBondContact O-CB 3.42Å; L87-Q91 WeakPolarHBondContact O-CG 3.48Å; L87-Q91 PolarHBondContact O-N 3.14Å |
| 88 | G | 98.6 | Very high | 98.5 | Very high | 26 Ų | 26 | 95.8 Ų | 95.8 | 27% | 0.268 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.7 | -38.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E84 Q85 S92 | E84-G88 PolarHBondContact O-N 3.22Å; Q85-G88 PolarHBondContact O-N 2.87Å; G88-S92 WeakPolarHBondContact O-CB 3.33Å; G88-S92 PolarHBondContact O-N 3.4Å; G88-S92 PolarHBondContact O-OG 3.41Å |
| 89 | N | 98.6 | Very high | 98.4 | Very high | 98 Ų | 98 | 94.3 Ų | 94.3 | 52% | 0.524 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.3 | -43.7 | 174 | -74.9 | -33.5 | 0 | 0 | 0 | 112.3 | Q85 A86 L87 S92 R93 | Q85-N89 WeakPolarHBondContact O-CB 3.39Å; Q85-N89 VanDerWaalsContact O-CG 3.23Å; Q85-N89 PolarHBondContact O-N 2.89Å; Q85-N89 PolarHBondContact O-ND2 2.89Å; Q85-N89 VanDerWaalsContact O-ND2 3.11Å; A86-N89 PolarHBondContact O-N 2.95Å; L87-N89 VanDerWaalsContact C-N 3.28Å; L87-N89 PolarHBondContact O-N 3.42Å; N89-S92 PolarHBondContact O-N 3.37Å; N89-R93 WeakPolarHBondContact O-CG 3.37Å; N89-R93 PolarHBondContact O-N 3.24Å |
| 90 | A | 98.6 | Very high | 98.4 | Very high | 56 Ų | 56 | 94 Ų | 94 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64 | -45 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A86 L87 S92 R93 A94 | A86-A90 WeakPolarHBondContact O-CB 3.4Å; A86-A90 PolarHBondContact O-N 3.36Å; L87-A90 PolarHBondContact O-N 3.43Å; L87-A90 VanDerWaalsContact O-N 3.13Å; A90-S92 PolarHBondContact O-N 2.83Å; A90-R93 PolarHBondContact O-N 2.91Å; A90-A94 WeakPolarHBondContact O-CB 3.4Å; A90-A94 PolarHBondContact O-N 2.87Å |
| 91 | Q | 98.6 | Very high | 98.3 | Very high | 120 Ų | 120 | 96.6 Ų | 96.6 | 56% | 0.561 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.8 | -44.2 | 176.2 | -72.8 | 174.7 | -21 | 0 | 0 | 111.7 | L87 R93 A94 A95 | L87-Q91 HydrophobicContact CD1-CG 4.23Å; L87-Q91 HydrophobicContact CG-CG 4.46Å; L87-Q91 WeakPolarHBondContact O-CB 3.42Å; L87-Q91 WeakPolarHBondContact O-CG 3.48Å; L87-Q91 PolarHBondContact O-N 3.14Å; Q91-R93 VanDerWaalsContact C-N 3.32Å; Q91-R93 PolarHBondContact O-N 2.9Å; Q91-A94 PolarHBondContact O-N 3.32Å; Q91-A95 WeakPolarHBondContact O-CB 3.46Å; Q91-A95 PolarHBondContact O-N 3.18Å |
| 92 | S | 98.4 | Very high | 98.2 | Very high | 65 Ų | 65 | 100.7 Ų | 100.7 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.2 | -40.4 | 177.1 | -61.9 | 0 | 0 | 0 | 0 | 112.3 | G88 N89 A90 R96 | G88-S92 WeakPolarHBondContact O-CB 3.33Å; G88-S92 PolarHBondContact O-N 3.4Å; G88-S92 PolarHBondContact O-OG 3.41Å; N89-S92 PolarHBondContact O-N 3.37Å; A90-S92 PolarHBondContact O-N 2.83Å; S92-R96 WeakPolarHBondContact O-CG 3.45Å; S92-R96 PolarHBondContact O-N 2.85Å |
| 93 | R | 98.2 | Very high | 98.2 | Very high | 193 Ų | 193 | 101.7 Ų | 101.7 | 73% | 0.728 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.3 | -43 | 175.5 | -72.3 | 176 | -177.2 | -174 | 1.6 | 111.8 | N89 A90 Q91 R96 A97 | N89-R93 WeakPolarHBondContact O-CG 3.37Å; N89-R93 PolarHBondContact O-N 3.24Å; A90-R93 PolarHBondContact O-N 2.91Å; Q91-R93 VanDerWaalsContact C-N 3.32Å; Q91-R93 PolarHBondContact O-N 2.9Å; R93-R96 PolarHBondContact O-N 3Å; R93-A97 PolarHBondContact O-N 3.49Å |
| 94 | A | 98.4 | Very high | 98.1 | Very high | 49 Ų | 49 | 103.1 Ų | 103.1 | 41% | 0.405 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.4 | -47 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | A90 Q91 R96 A97 E98 | A90-A94 WeakPolarHBondContact O-CB 3.4Å; A90-A94 PolarHBondContact O-N 2.87Å; Q91-A94 PolarHBondContact O-N 3.32Å; A94-R96 VanDerWaalsContact C-N 3.33Å; A94-R96 PolarHBondContact O-N 3.43Å; A94-A97 PolarHBondContact O-N 2.9Å; A94-A97 VanDerWaalsContact O-N 3.13Å; A94-E98 WeakPolarHBondContact O-CG 3.36Å; A94-E98 PolarHBondContact O-N 2.91Å |
| 95 | A | 98.2 | Very high | 97.9 | Very high | 56 Ų | 56 | 101.3 Ų | 101.3 | 46% | 0.463 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.3 | -42.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q91 E98 E99 | Q91-A95 WeakPolarHBondContact O-CB 3.46Å; Q91-A95 PolarHBondContact O-N 3.18Å; A95-E98 PolarHBondContact O-N 3.5Å; A95-E99 PolarHBondContact O-N 2.95Å |
| 96 | R | 98 | Very high | 97.7 | Very high | 178 Ų | 178 | 97.5 Ų | 97.5 | 67% | 0.672 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.5 | -44.3 | 175.2 | -70.6 | 177 | -174 | -178.3 | 2.6 | 112 | S92 R93 A94 E98 E99 E100 | S92-R96 WeakPolarHBondContact O-CG 3.45Å; S92-R96 PolarHBondContact O-N 2.85Å; R93-R96 PolarHBondContact O-N 3Å; A94-R96 VanDerWaalsContact C-N 3.33Å; A94-R96 PolarHBondContact O-N 3.43Å; R96-E98 VanDerWaalsContact C-N 3.35Å; R96-E99 PolarHBondContact O-N 3.08Å; R96-E100 PolarHBondContact O-N 3.38Å |
| 97 | A | 97.9 | Very high | 97.5 | Very high | 56 Ų | 56 | 102.5 Ų | 102.5 | 46% | 0.463 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.1 | -39.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | R93 A94 E100 L101 | R93-A97 PolarHBondContact O-N 3.49Å; A94-A97 PolarHBondContact O-N 2.9Å; A94-A97 VanDerWaalsContact O-N 3.13Å; A97-E100 PolarHBondContact O-N 2.89Å; A97-L101 WeakPolarHBondContact O-CB 3.43Å; A97-L101 PolarHBondContact O-N 3.33Å |
| 98 | E | 98.1 | Very high | 97.4 | Very high | 111 Ų | 111 | 100.9 Ų | 100.9 | 52% | 0.519 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 173.6 | -74.1 | 179.5 | -174.4 | 0 | 0 | 112.1 | A94 A95 R96 L101 R102 | A94-E98 WeakPolarHBondContact O-CG 3.36Å; A94-E98 PolarHBondContact O-N 2.91Å; A95-E98 PolarHBondContact O-N 3.5Å; R96-E98 VanDerWaalsContact C-N 3.35Å; E98-L101 PolarHBondContact O-N 2.91Å; E98-R102 WeakPolarHBondContact O-CG 3.43Å; E98-R102 PolarHBondContact O-N 2.93Å |
| 99 | E | 97.5 | Very high | 97.1 | Very high | 104 Ų | 104 | 105.4 Ų | 105.4 | 49% | 0.486 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 176.9 | -164.2 | -168.9 | 152.4 | 0 | 0 | 111.9 | A95 R96 R102 K103 | A95-E99 PolarHBondContact O-N 2.95Å; R96-E99 PolarHBondContact O-N 3.08Å; E99-R102 PolarHBondContact O-N 2.86Å; E99-K103 WeakPolarHBondContact O-CG 3.42Å; E99-K103 PolarHBondContact O-N 2.82Å; E99-K103 WeakPolarHBondContact OE1-CE 3.32Å; E99-K103 IonicContact OE1-NZ 2.68Å; E99-K103 PolarHBondContact OE1-NZ 3.08Å |
| 100 | E | 97.4 | Very high | 96.8 | Very high | 109 Ų | 109 | 108.4 Ų | 108.4 | 51% | 0.509 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 174.6 | -74.2 | -173 | -172.9 | 0 | 0 | 112.4 | R96 A97 K103 K104 | R96-E100 PolarHBondContact O-N 3.38Å; A97-E100 PolarHBondContact O-N 2.89Å; E100-K103 PolarHBondContact O-N 3.34Å; E100-K104 WeakPolarHBondContact O-CG 3.28Å; E100-K104 PolarHBondContact O-N 3.45Å |
| 101 | L | 97.5 | Very high | 96.5 | Very high | 98 Ų | 98 | 110.1 Ų | 110.1 | 51% | 0.513 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 177.2 | -176.4 | 65.7 | 0 | 0 | 0 | 111 | A97 E98 K103 K104 Q105 | A97-L101 WeakPolarHBondContact O-CB 3.43Å; A97-L101 PolarHBondContact O-N 3.33Å; E98-L101 PolarHBondContact O-N 2.91Å; L101-K103 VanDerWaalsContact C-N 3.33Å; L101-K103 PolarHBondContact O-N 2.9Å; L101-K104 PolarHBondContact O-N 3.5Å; L101-Q105 HydrophobicContact CG-CG 4.46Å; L101-Q105 WeakPolarHBondContact O-CB 3.32Å; L101-Q105 WeakPolarHBondContact O-CG 3.49Å; L101-Q105 PolarHBondContact O-N 3.12Å |
| 102 | R | 97.2 | Very high | 95.8 | Very high | 170 Ų | 170 | 112 Ų | 112 | 64% | 0.642 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -58.5 | -43.8 | 175.4 | -76.4 | 179.4 | -179.1 | 153.5 | 5.6 | 112 | E98 E99 Q105 A106 | E98-R102 WeakPolarHBondContact O-CG 3.43Å; E98-R102 PolarHBondContact O-N 2.93Å; E99-R102 PolarHBondContact O-N 2.86Å; R102-Q105 PolarHBondContact O-N 3.28Å; R102-A106 WeakPolarHBondContact O-CB 3.26Å; R102-A106 PolarHBondContact O-N 2.96Å |
| 103 | K | 96.8 | Very high | 94.1 | Very high | 128 Ų | 128 | 121.8 Ų | 121.8 | 56% | 0.557 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61.4 | -44.4 | 176.5 | -72.7 | 172.1 | -175 | 165.7 | 0 | 111.6 | E99 E100 L101 Y107 | E99-K103 WeakPolarHBondContact O-CG 3.42Å; E99-K103 PolarHBondContact O-N 2.82Å; E99-K103 WeakPolarHBondContact OE1-CE 3.32Å; E99-K103 IonicContact OE1-NZ 2.68Å; E99-K103 PolarHBondContact OE1-NZ 3.08Å; E100-K103 PolarHBondContact O-N 3.34Å; L101-K103 VanDerWaalsContact C-N 3.33Å; L101-K103 PolarHBondContact O-N 2.9Å; K103-Y107 PolarHBondContact O-N 3.48Å; K103-Y107 VanDerWaalsContact O-N 3.13Å |
| 104 | K | 96.5 | Very high | 93.9 | Very high | 131 Ų | 131 | 118.2 Ų | 118.2 | 57% | 0.57 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65 | -44.7 | 177.9 | -72.7 | 175.4 | -177 | 172.3 | 0 | 111.9 | E100 L101 A106 Y107 V108 | E100-K104 WeakPolarHBondContact O-CG 3.28Å; E100-K104 PolarHBondContact O-N 3.45Å; L101-K104 PolarHBondContact O-N 3.5Å; K104-A106 PolarHBondContact O-N 3.35Å; K104-Y107 WeakPolarHBondContact O-CB 3.46Å; K104-Y107 PolarHBondContact O-N 2.85Å; K104-Y107 VanDerWaalsContact O-N 3.13Å; K104-V108 WeakPolarHBondContact O-CG2 3.25Å; K104-V108 PolarHBondContact O-N 2.92Å |
| 105 | Q | 95.1 | Very high | 93.6 | Very high | 100 Ų | 100 | 121.8 Ų | 121.8 | 47% | 0.467 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -57.9 | -47.7 | 176 | -74.8 | 172.9 | -29.7 | 0 | 0 | 111.5 | L101 R102 Y107 V108 E109 | L101-Q105 HydrophobicContact CG-CG 4.46Å; L101-Q105 WeakPolarHBondContact O-CB 3.32Å; L101-Q105 WeakPolarHBondContact O-CG 3.49Å; L101-Q105 PolarHBondContact O-N 3.12Å; R102-Q105 PolarHBondContact O-N 3.28Å; Q105-Y107 PolarHBondContact O-N 3.22Å; Q105-V108 PolarHBondContact O-N 2.98Å; Q105-E109 PolarHBondContact O-N 3.28Å |
| 106 | A | 94.8 | Very high | 93.4 | Very high | 43 Ų | 43 | 125.5 Ų | 125.5 | 36% | 0.355 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.8 | -28.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | R102 K104 K110 | R102-A106 WeakPolarHBondContact O-CB 3.26Å; R102-A106 PolarHBondContact O-N 2.96Å; K104-A106 PolarHBondContact O-N 3.35Å; A106-K110 VanDerWaalsContact O-CG 3.28Å; A106-K110 WeakPolarHBondContact O-CG 3.47Å; A106-K110 PolarHBondContact O-N 3.16Å |
| 107 | Y | 95.1 | Very high | 93.1 | Very high | 161 Ų | 161 | 122.4 Ų | 122.4 | 63% | 0.631 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -73.3 | -44.6 | 173.7 | -176.7 | -97.4 | 0 | 0 | 0 | 111.7 | K103 K104 Q105 E109 K110 V111 | K103-Y107 PolarHBondContact O-N 3.48Å; K103-Y107 VanDerWaalsContact O-N 3.13Å; K104-Y107 WeakPolarHBondContact O-CB 3.46Å; K104-Y107 PolarHBondContact O-N 2.85Å; K104-Y107 VanDerWaalsContact O-N 3.13Å; Q105-Y107 PolarHBondContact O-N 3.22Å; Y107-E109 PolarHBondContact O-N 3.49Å; Y107-K110 WeakPolarHBondContact O-CB 3.41Å; Y107-K110 PolarHBondContact O-N 3.17Å; Y107-K110 VanDerWaalsContact O-N 3.11Å; Y107-V111 HydrophobicContact CD1-CG2 4.15Å; Y107-V111 HydrophobicContact CE1-CG2 3.72Å; Y107-V111 HydrophobicContact CE2-CG2 4.34Å; Y107-V111 WeakPolarHBondContact O-CG2 3.33Å; Y107-V111 PolarHBondContact O-N 3.12Å; Y107-V111 VanDerWaalsContact O-N 3.13Å |
| 108 | V | 95.4 | Very high | 92.8 | Very high | 67 Ų | 67 | 126.6 Ų | 126.6 | 41% | 0.406 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -57.9 | -48.8 | 176 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | K104 Q105 K110 V111 E112 | K104-V108 WeakPolarHBondContact O-CG2 3.25Å; K104-V108 PolarHBondContact O-N 2.92Å; Q105-V108 PolarHBondContact O-N 2.98Å; V108-K110 PolarHBondContact O-N 3.4Å; V108-K110 VanDerWaalsContact O-N 3.14Å; V108-V111 PolarHBondContact O-N 3.33Å; V108-E112 VanDerWaalsContact CG1-CD 3.48Å; V108-E112 HydrophobicContact CG1-CG 4.16Å; V108-E112 WeakPolarHBondContact CG1-OE1 3.47Å; V108-E112 WeakPolarHBondContact O-CG 3.4Å; V108-E112 PolarHBondContact O-N 3.36Å |
| 109 | E | 92.9 | Very high | 92.5 | Very high | 121 Ų | 121 | 127.6 Ų | 127.6 | 57% | 0.565 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -58.6 | -28.5 | 177 | -73.6 | -178.8 | -178.3 | 0 | 0 | 113.7 | Q105 Y107 | Q105-E109 PolarHBondContact O-N 3.28Å; Y107-E109 PolarHBondContact O-N 3.49Å |
| 110 | K | 91.9 | Very high | 92.1 | Very high | 161 Ų | 161 | 129.3 Ų | 129.3 | 70% | 0.7 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -79.1 | -29.1 | 176.3 | -76.8 | 175.5 | -176.1 | -177.7 | 0 | 113.3 | A106 Y107 V108 | A106-K110 VanDerWaalsContact O-CG 3.28Å; A106-K110 WeakPolarHBondContact O-CG 3.47Å; A106-K110 PolarHBondContact O-N 3.16Å; Y107-K110 WeakPolarHBondContact O-CB 3.41Å; Y107-K110 PolarHBondContact O-N 3.17Å; Y107-K110 VanDerWaalsContact O-N 3.11Å; V108-K110 PolarHBondContact O-N 3.4Å; V108-K110 VanDerWaalsContact O-N 3.14Å |
| 111 | V | 92.9 | Very high | 91.7 | Very high | 92 Ų | 92 | 130.8 Ų | 130.8 | 56% | 0.558 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -86.5 | -28.6 | -178.8 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | Y107 V108 R113 | Y107-V111 HydrophobicContact CD1-CG2 4.15Å; Y107-V111 HydrophobicContact CE1-CG2 3.72Å; Y107-V111 HydrophobicContact CE2-CG2 4.34Å; Y107-V111 WeakPolarHBondContact O-CG2 3.33Å; Y107-V111 PolarHBondContact O-N 3.12Å; Y107-V111 VanDerWaalsContact O-N 3.13Å; V108-V111 PolarHBondContact O-N 3.33Å; V111-R113 VanDerWaalsContact C-N 3.31Å |
| 112 | E | 84.6 | Confident | 91.2 | Very high | 158 Ų | 158 | 133.6 Ų | 133.6 | 74% | 0.738 | 60% | 0.601 | S | S | * | * | trans | -84.9 | 0.5 | 178.7 | -66.4 | -179.2 | 165.5 | 0 | 0 | 114.1 | V108 | V108-E112 VanDerWaalsContact CG1-CD 3.48Å; V108-E112 HydrophobicContact CG1-CG 4.16Å; V108-E112 WeakPolarHBondContact CG1-OE1 3.47Å; V108-E112 WeakPolarHBondContact O-CG 3.4Å; V108-E112 PolarHBondContact O-N 3.36Å | ||
| 113 | R | 61.4 | Low | 90.7 | Very high | 271 Ų | 271 | 130.3 Ų | 130.3 | 100% | 1.023 | 60% | 0.597 | S | S | * | * | trans | -103.5 | 0 | 171.8 | -83.1 | -174.8 | 177.5 | 166.5 | 3.9 | 111.4 | V111 | V111-R113 VanDerWaalsContact C-N 3.31Š|
Retrieved 113 of 113 residues in 278.8 ms
(Link to these results)