| 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 | 63 | Low | 86.4 | Confident | 224 Ų | 224 | 118.3 Ų | 118.3 | 100% | 1.103 | 58% | 0.581 | S | S | * | * | 0 | 134.1 | 0 | -66.5 | -179.3 | 170.4 | 0 | 0 | 107.9 | Q3 | M1-Q3 PolarHBondContact O-N 3.49Š| |||
| 2 | P | 80 | Confident | 86.9 | Confident | 101 Ų | 101 | 121.5 Ų | 121.5 | 66% | 0.656 | 59% | 0.59 | S | S | * | * | trans | -58.9 | 126.1 | 173.2 | 25.7 | -32.5 | 0 | 0 | 0 | 108.7 | ||||
| 3 | Q | 80.2 | Confident | 87.5 | Confident | 175 Ų | 175 | 126.8 Ų | 126.8 | 82% | 0.818 | 60% | 0.599 | S | S | * | * | trans | -79.2 | 134.9 | -177.6 | -67.4 | -171.9 | -10.6 | 0 | 0 | 110.1 | M1 | M1-Q3 PolarHBondContact O-N 3.49Š| ||
| 4 | N | 87.5 | Confident | 88 | Confident | 131 Ų | 131 | 127.4 Ų | 127.4 | 70% | 0.701 | 60% | 0.602 | S | S | * | * | S | Bend | trans | 59.9 | -170.2 | 170.6 | -151.3 | 51.3 | 0 | 0 | 0 | 115.2 | H6 | N4-H6 PolarHBondContact O-N 3.15Å; N4-H6 PolarHBondContact O-ND1 3.38Å |
| 5 | E | 88.7 | Confident | 88.4 | Confident | 110 Ų | 110 | 121 Ų | 121 | 51% | 0.514 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -75.4 | 49.9 | 177.5 | -59 | 178 | 164.2 | 0 | 0 | 112.9 | I7 E8 L9 | E5-I7 PolarHBondContact O-N 2.79Å; E5-I7 VanDerWaalsContact O-N 3.12Å; E5-E8 HydrophobicContact CB-CB 4.18Å; E5-E8 HydrophobicContact CB-CG 4.3Å; E5-E8 PolarHBondContact O-N 2.96Å; E5-L9 PolarHBondContact O-N 3.07Å |
| 6 | H | 90.4 | Very high | 88.7 | Confident | 93 Ų | 93 | 119.3 Ų | 119.3 | 43% | 0.431 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -55 | -32.5 | -176 | 65.7 | -74.9 | 0 | 0 | 0 | 113.9 | N4 H10 | N4-H6 PolarHBondContact O-N 3.15Å; N4-H6 PolarHBondContact O-ND1 3.38Å; H6-H10 WeakPolarHBondContact O-CB 3.35Å; H6-H10 PolarHBondContact O-N 3.14Å |
| 7 | I | 91.1 | Very high | 88.9 | Confident | 105 Ų | 105 | 122.8 Ų | 122.8 | 54% | 0.538 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68 | -42 | 176.2 | -61.5 | 175.2 | 0 | 0 | 0 | 111.4 | E5 H10 R11 | E5-I7 PolarHBondContact O-N 2.79Å; E5-I7 VanDerWaalsContact O-N 3.12Å; I7-H10 PolarHBondContact O-N 3.27Å; I7-R11 WeakPolarHBondContact O-CG 3.35Å; I7-R11 PolarHBondContact O-N 3Å |
| 8 | E | 90.4 | Very high | 89.2 | Confident | 92 Ų | 92 | 127.8 Ų | 127.8 | 43% | 0.43 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -69.8 | -40.1 | 177.5 | -59.2 | -158.6 | 173.4 | 0 | 0 | 111 | E5 H10 R11 K12 | E5-E8 HydrophobicContact CB-CB 4.18Å; E5-E8 HydrophobicContact CB-CG 4.3Å; E5-E8 PolarHBondContact O-N 2.96Å; E8-H10 VanDerWaalsContact C-N 3.32Å; E8-H10 PolarHBondContact O-N 2.74Å; E8-R11 PolarHBondContact O-N 2.8Å; E8-K12 WeakPolarHBondContact O-CG 3.35Å; E8-K12 PolarHBondContact O-N 3.24Å |
| 9 | L | 92.1 | Very high | 89.6 | Confident | 62 Ų | 62 | 123.4 Ų | 123.4 | 33% | 0.325 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -58.8 | -43.7 | 172.1 | -70.1 | 175 | 0 | 0 | 0 | 111.6 | E5 R11 K12 R13 | E5-L9 PolarHBondContact O-N 3.07Å; L9-R11 PolarHBondContact O-N 2.9Å; L9-K12 PolarHBondContact O-N 3.29Å; L9-R13 WeakPolarHBondContact O-CB 3.34Å; L9-R13 VanDerWaalsContact O-CG 3.31Å; L9-R13 WeakPolarHBondContact O-CG 3.19Å; L9-R13 PolarHBondContact O-N 3Å |
| 10 | H | 93.1 | Very high | 89.9 | Confident | 109 Ų | 109 | 121.4 Ų | 121.4 | 51% | 0.505 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.3 | -43.8 | 174.9 | -179 | -77.2 | 0 | 0 | 0 | 111.6 | H6 I7 E8 K12 R13 H14 | H6-H10 WeakPolarHBondContact O-CB 3.35Å; H6-H10 PolarHBondContact O-N 3.14Å; I7-H10 PolarHBondContact O-N 3.27Å; E8-H10 VanDerWaalsContact C-N 3.32Å; E8-H10 PolarHBondContact O-N 2.74Å; H10-K12 VanDerWaalsContact C-N 3.34Å; H10-K12 PolarHBondContact O-N 2.76Å; H10-R13 PolarHBondContact O-N 2.99Å; H10-H14 AromaticContact CD2-CD2 3.64Å; H10-H14 AromaticContact NE2-CD2 3.66Å; H10-H14 PolarHBondContact O-N 3.06Å |
| 11 | R | 93.4 | Very high | 90.2 | Very high | 99 Ų | 99 | 121.6 Ų | 121.6 | 37% | 0.374 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.7 | -34.6 | 176.6 | -73.9 | 165.7 | 78.2 | -175.5 | 3.6 | 112.6 | I7 E8 L9 G15 Y16 | I7-R11 WeakPolarHBondContact O-CG 3.35Å; I7-R11 PolarHBondContact O-N 3Å; E8-R11 PolarHBondContact O-N 2.8Å; L9-R11 PolarHBondContact O-N 2.9Å; R11-G15 WeakPolarHBondContact O-CA 3.36Å; R11-G15 PolarHBondContact O-N 3.25Å; R11-Y16 VanDerWaalsContact CZ-CE1 3.48Å; R11-Y16 PolarHBondContact NE-OH 2.94Å; R11-Y16 PolarHBondContact NH2-OH 3.07Å |
| 12 | K | 92.7 | Very high | 91.8 | Very high | 157 Ų | 157 | 115.6 Ų | 115.6 | 68% | 0.683 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -68.4 | -38.3 | 173.8 | -72.4 | 172.7 | -177 | 170.2 | 0 | 111.8 | E8 L9 H10 | E8-K12 WeakPolarHBondContact O-CG 3.35Å; E8-K12 PolarHBondContact O-N 3.24Å; L9-K12 PolarHBondContact O-N 3.29Å; H10-K12 VanDerWaalsContact C-N 3.34Å; H10-K12 PolarHBondContact O-N 2.76Å |
| 13 | R | 94.4 | Very high | 92.6 | Very high | 190 Ų | 190 | 117.7 Ų | 117.7 | 72% | 0.717 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -79.8 | -44.2 | -178.4 | -70.4 | 175.3 | -173.5 | 173.9 | 1.7 | 114.2 | L9 H10 | L9-R13 WeakPolarHBondContact O-CB 3.34Å; L9-R13 VanDerWaalsContact O-CG 3.31Å; L9-R13 WeakPolarHBondContact O-CG 3.19Å; L9-R13 PolarHBondContact O-N 3Å; H10-R13 PolarHBondContact O-N 2.99Å |
| 14 | H | 94.8 | Very high | 93.4 | Very high | 136 Ų | 136 | 114.1 Ų | 114.1 | 63% | 0.63 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -113.9 | -4.1 | -171.4 | -59.7 | -68.2 | 0 | 0 | 0 | 113.4 | H10 | H10-H14 AromaticContact CD2-CD2 3.64Å; H10-H14 AromaticContact NE2-CD2 3.66Å; H10-H14 PolarHBondContact O-N 3.06Å |
| 15 | G | 93.5 | Very high | 93.9 | Very high | 31 Ų | 31 | 115 Ų | 115 | 32% | 0.32 | 50% | 0.503 | S | S | . | . | trans | 73.4 | -155.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | R11 | R11-G15 WeakPolarHBondContact O-CA 3.36Å; R11-G15 PolarHBondContact O-N 3.25Å | ||
| 16 | Y | 93.4 | Very high | 94.4 | Very high | 93 Ų | 93 | 113.8 Ų | 113.8 | 37% | 0.365 | 50% | 0.496 | S | S | . | . | trans | -100.3 | 162.5 | 174.5 | -66.1 | -97.1 | 0 | 0 | 0 | 110.3 | R11 F18 Y20 F21 | R11-Y16 VanDerWaalsContact CZ-CE1 3.48Å; R11-Y16 PolarHBondContact NE-OH 2.94Å; R11-Y16 PolarHBondContact NH2-OH 3.07Å; Y16-F18 PolarHBondContact O-N 3.38Å; Y16-Y20 AromaticContact CD1-CD1 3.46Å; Y16-Y20 HydrophobicContact CD1-CD1 3.46Å; Y16-Y20 VanDerWaalsContact CD1-CD1 3.46Å; Y16-Y20 HydrophobicContact CD1-CD2 4.1Å; Y16-Y20 AromaticContact CD1-CE1 3.59Å; Y16-Y20 HydrophobicContact CD1-CE1 3.59Å; Y16-Y20 HydrophobicContact CD1-CE2 4.21Å; Y16-Y20 AromaticContact CD1-CG 3.74Å; Y16-Y20 HydrophobicContact CD1-CG 3.74Å; Y16-Y20 AromaticContact CD1-CZ 3.97Å; Y16-Y20 AromaticContact CE1-CD1 3.94Å; Y16-Y20 HydrophobicContact CE1-CD1 3.94Å; Y16-Y20 AromaticContact CE1-CE1 3.57Å; Y16-Y20 HydrophobicContact CE1-CE1 3.57Å; Y16-Y20 HydrophobicContact CE1-CE2 4.44Å; Y16-Y20 AromaticContact CE1-CZ 3.85Å; Y16-Y20 AromaticContact CG-CD1 3.94Å; Y16-Y20 HydrophobicContact CG-CD1 3.94Å; Y16-Y20 HydrophobicContact CG-CE1 4.4Å; Y16-Y20 HydrophobicContact CG-CG 4.26Å; Y16-F21 AromaticContact CD2-CE2 3.94Å; Y16-F21 HydrophobicContact CD2-CE2 3.94Å; Y16-F21 AromaticContact CD2-CZ 3.67Å; Y16-F21 HydrophobicContact CD2-CZ 3.67Å; Y16-F21 AromaticContact CE2-CZ 3.85Å; Y16-F21 HydrophobicContact CE2-CZ 3.85Å; Y16-F21 HydrophobicContact CG-CE2 4.2Å; Y16-F21 HydrophobicContact CG-CZ 4.11Å | ||
| 17 | R | 92.9 | Very high | 94.7 | Very high | 179 Ų | 179 | 115.5 Ų | 115.5 | 68% | 0.675 | 50% | 0.502 | S | S | * | . | trans | -55.5 | 138.2 | 164.5 | -166.3 | -178.3 | 164.8 | 154.8 | 3.9 | 109.7 | D19 Y20 | R17-D19 WeakPolarHBondContact CD-OD1 3.45Å; R17-D19 WeakPolarHBondContact CG-OD1 3.32Å; R17-D19 IonicContact CZ-OD2 3.87Å; R17-D19 IonicContact NE-OD1 3.01Å; R17-D19 PolarHBondContact NE-OD1 3.44Å; R17-D19 IonicContact NE-OD2 3.5Å; R17-D19 IonicContact NH2-OD2 3.97Å; R17-D19 PolarHBondContact O-N 2.99Å; R17-D19 VanDerWaalsContact O-N 3.09Å; R17-Y20 WeakPolarHBondContact O-CB 3.26Å; R17-Y20 PolarHBondContact O-N 3.49Å | ||
| 18 | F | 93.8 | Very high | 95 | Very high | 213 Ų | 213 | 116 Ų | 116 | 93% | 0.934 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -33.8 | -173.3 | -61.3 | -53.8 | 0 | 0 | 0 | 114.3 | Y16 | Y16-F18 PolarHBondContact O-N 3.38Š|
| 19 | D | 96.3 | Very high | 95.3 | Very high | 45 Ų | 45 | 114.7 Ų | 114.7 | 24% | 0.241 | 51% | 0.507 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 1.2 | 179.6 | 67.8 | -20.2 | 0 | 0 | 0 | 114.3 | R17 F21 E22 R23 | R17-D19 WeakPolarHBondContact CD-OD1 3.45Å; R17-D19 WeakPolarHBondContact CG-OD1 3.32Å; R17-D19 IonicContact CZ-OD2 3.87Å; R17-D19 IonicContact NE-OD1 3.01Å; R17-D19 PolarHBondContact NE-OD1 3.44Å; R17-D19 IonicContact NE-OD2 3.5Å; R17-D19 IonicContact NH2-OD2 3.97Å; R17-D19 PolarHBondContact O-N 2.99Å; R17-D19 VanDerWaalsContact O-N 3.09Å; D19-F21 PolarHBondContact O-N 3.44Å; D19-E22 PolarHBondContact O-N 3.06Å; D19-R23 HydrophobicContact CB-CG 4.43Å; D19-R23 WeakPolarHBondContact O-CB 3.47Å; D19-R23 VanDerWaalsContact O-CG 3.3Å; D19-R23 WeakPolarHBondContact O-CG 3.22Å; D19-R23 PolarHBondContact O-N 2.87Å; D19-R23 WeakPolarHBondContact OD2-CD 3.38Å; D19-R23 IonicContact OD2-NH1 3.37Å; D19-R23 PolarHBondContact OD2-NH1 3.49Å |
| 20 | Y | 96.6 | Very high | 95.6 | Very high | 82 Ų | 82 | 118.1 Ų | 118.1 | 32% | 0.322 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.4 | -52.1 | -170.5 | 174.1 | -98.1 | 0 | 0 | 0 | 112.5 | Y16 R17 E22 R23 K24 | Y16-Y20 AromaticContact CD1-CD1 3.46Å; Y16-Y20 HydrophobicContact CD1-CD1 3.46Å; Y16-Y20 VanDerWaalsContact CD1-CD1 3.46Å; Y16-Y20 HydrophobicContact CD1-CD2 4.1Å; Y16-Y20 AromaticContact CD1-CE1 3.59Å; Y16-Y20 HydrophobicContact CD1-CE1 3.59Å; Y16-Y20 HydrophobicContact CD1-CE2 4.21Å; Y16-Y20 AromaticContact CD1-CG 3.74Å; Y16-Y20 HydrophobicContact CD1-CG 3.74Å; Y16-Y20 AromaticContact CD1-CZ 3.97Å; Y16-Y20 AromaticContact CE1-CD1 3.94Å; Y16-Y20 HydrophobicContact CE1-CD1 3.94Å; Y16-Y20 AromaticContact CE1-CE1 3.57Å; Y16-Y20 HydrophobicContact CE1-CE1 3.57Å; Y16-Y20 HydrophobicContact CE1-CE2 4.44Å; Y16-Y20 AromaticContact CE1-CZ 3.85Å; Y16-Y20 AromaticContact CG-CD1 3.94Å; Y16-Y20 HydrophobicContact CG-CD1 3.94Å; Y16-Y20 HydrophobicContact CG-CE1 4.4Å; Y16-Y20 HydrophobicContact CG-CG 4.26Å; R17-Y20 WeakPolarHBondContact O-CB 3.26Å; R17-Y20 PolarHBondContact O-N 3.49Å; Y20-E22 PolarHBondContact O-N 3.03Å; Y20-R23 PolarHBondContact O-N 3.41Å; Y20-K24 HydrophobicContact CE1-CD 4.23Å; Y20-K24 WeakPolarHBondContact O-CB 3.38Å; Y20-K24 PolarHBondContact O-N 3.15Å |
| 21 | F | 96 | Very high | 95.8 | Very high | 127 Ų | 127 | 116 Ų | 116 | 56% | 0.557 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.2 | -37.1 | -176.3 | -64.4 | -71.9 | 0 | 0 | 0 | 111.8 | Y16 D19 K24 R25 | Y16-F21 AromaticContact CD2-CE2 3.94Å; Y16-F21 HydrophobicContact CD2-CE2 3.94Å; Y16-F21 AromaticContact CD2-CZ 3.67Å; Y16-F21 HydrophobicContact CD2-CZ 3.67Å; Y16-F21 AromaticContact CE2-CZ 3.85Å; Y16-F21 HydrophobicContact CE2-CZ 3.85Å; Y16-F21 HydrophobicContact CG-CE2 4.2Å; Y16-F21 HydrophobicContact CG-CZ 4.11Å; D19-F21 PolarHBondContact O-N 3.44Å; F21-K24 PolarHBondContact O-N 3.47Å; F21-R25 WeakPolarHBondContact O-CB 3.37Å; F21-R25 PolarHBondContact O-N 3.38Å |
| 22 | E | 96.2 | Very high | 95.9 | Very high | 97 Ų | 97 | 114.8 Ų | 114.8 | 45% | 0.453 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.8 | -45.5 | 174 | -67.8 | -155.5 | 173.9 | 0 | 0 | 112.4 | D19 Y20 K24 R25 K26 | D19-E22 PolarHBondContact O-N 3.06Å; Y20-E22 PolarHBondContact O-N 3.03Å; E22-K24 VanDerWaalsContact C-N 3.34Å; E22-R25 PolarHBondContact O-N 3.3Å; E22-K26 WeakPolarHBondContact O-CB 3.3Å; E22-K26 VanDerWaalsContact O-CG 3.29Å; E22-K26 WeakPolarHBondContact O-CG 3.43Å; E22-K26 PolarHBondContact O-N 3.46Å; E22-K26 IonicContact OE2-NZ 3.21Å; E22-K26 PolarHBondContact OE2-NZ 3.35Å |
| 23 | R | 97.4 | Very high | 96.2 | Very high | 146 Ų | 146 | 113.8 Ų | 113.8 | 55% | 0.551 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.9 | -41 | 178.9 | -75.2 | 178.2 | 65.1 | 176.2 | 3.5 | 111.2 | D19 Y20 K26 K27 | D19-R23 HydrophobicContact CB-CG 4.43Å; D19-R23 WeakPolarHBondContact O-CB 3.47Å; D19-R23 VanDerWaalsContact O-CG 3.3Å; D19-R23 WeakPolarHBondContact O-CG 3.22Å; D19-R23 PolarHBondContact O-N 2.87Å; D19-R23 WeakPolarHBondContact OD2-CD 3.38Å; D19-R23 IonicContact OD2-NH1 3.37Å; D19-R23 PolarHBondContact OD2-NH1 3.49Å; Y20-R23 PolarHBondContact O-N 3.41Å; R23-K26 PolarHBondContact O-N 3.5Å; R23-K27 VanDerWaalsContact O-CB 3.26Å; R23-K27 WeakPolarHBondContact O-CB 3.38Å; R23-K27 PolarHBondContact O-N 2.93Å |
| 24 | K | 97.4 | Very high | 96.3 | Very high | 99 Ų | 99 | 108 Ų | 108 | 43% | 0.43 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.8 | -50.9 | 175.9 | -172.4 | 179 | 176.9 | -174 | 0 | 110.9 | Y20 F21 E22 K26 K27 E28 | Y20-K24 HydrophobicContact CE1-CD 4.23Å; Y20-K24 WeakPolarHBondContact O-CB 3.38Å; Y20-K24 PolarHBondContact O-N 3.15Å; F21-K24 PolarHBondContact O-N 3.47Å; E22-K24 VanDerWaalsContact C-N 3.34Å; K24-K26 PolarHBondContact O-N 2.91Å; K24-K27 WeakPolarHBondContact O-CB 3.27Å; K24-K27 PolarHBondContact O-N 2.86Å; K24-K27 VanDerWaalsContact O-N 3.13Å; K24-E28 WeakPolarHBondContact CE-OE1 3.45Å; K24-E28 WeakPolarHBondContact O-CG 3.36Å; K24-E28 PolarHBondContact O-N 3.48Å |
| 25 | R | 97.7 | Very high | 96.3 | Very high | 151 Ų | 151 | 106.6 Ų | 106.6 | 57% | 0.57 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -56.8 | -50.3 | 175.6 | -174.7 | -167.4 | 72.2 | -159.6 | 0.5 | 112 | F21 E22 K27 E28 A29 | F21-R25 WeakPolarHBondContact O-CB 3.37Å; F21-R25 PolarHBondContact O-N 3.38Å; E22-R25 PolarHBondContact O-N 3.3Å; R25-K27 VanDerWaalsContact C-N 3.25Å; R25-K27 PolarHBondContact O-N 3.34Å; R25-E28 PolarHBondContact O-N 2.89Å; R25-A29 WeakPolarHBondContact O-CB 3.3Å; R25-A29 PolarHBondContact O-N 3.06Å |
| 26 | K | 98.2 | Very high | 96.3 | Very high | 83 Ų | 83 | 108 Ų | 108 | 36% | 0.361 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.2 | -30.3 | 179.1 | -72.1 | 171.1 | 179.3 | 161.4 | 0 | 111.8 | E22 R23 K24 R30 | E22-K26 WeakPolarHBondContact O-CB 3.3Å; E22-K26 VanDerWaalsContact O-CG 3.29Å; E22-K26 WeakPolarHBondContact O-CG 3.43Å; E22-K26 PolarHBondContact O-N 3.46Å; E22-K26 IonicContact OE2-NZ 3.21Å; E22-K26 PolarHBondContact OE2-NZ 3.35Å; R23-K26 PolarHBondContact O-N 3.5Å; K24-K26 PolarHBondContact O-N 2.91Å; K26-R30 VanDerWaalsContact O-CG 3.23Å; K26-R30 WeakPolarHBondContact O-CG 3.43Å; K26-R30 PolarHBondContact O-N 3.48Å; K26-R30 PolarHBondContact O-NH1 3Å |
| 27 | K | 97.6 | Very high | 96.5 | Very high | 129 Ų | 129 | 110.5 Ų | 110.5 | 56% | 0.561 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -70.3 | -51.7 | 174.6 | -173.5 | -179.6 | 179.2 | -176.2 | 0 | 110.8 | R23 K24 R25 A29 R30 E31 | R23-K27 VanDerWaalsContact O-CB 3.26Å; R23-K27 WeakPolarHBondContact O-CB 3.38Å; R23-K27 PolarHBondContact O-N 2.93Å; K24-K27 WeakPolarHBondContact O-CB 3.27Å; K24-K27 PolarHBondContact O-N 2.86Å; K24-K27 VanDerWaalsContact O-N 3.13Å; R25-K27 VanDerWaalsContact C-N 3.25Å; R25-K27 PolarHBondContact O-N 3.34Å; K27-A29 VanDerWaalsContact C-N 3.26Å; K27-A29 PolarHBondContact O-N 3.35Å; K27-R30 PolarHBondContact O-N 3.24Å; K27-E31 PolarHBondContact O-N 2.94Å |
| 28 | E | 97.2 | Very high | 96.6 | Very high | 115 Ų | 115 | 107.2 Ų | 107.2 | 54% | 0.537 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -57.1 | -39.9 | 177.3 | -71.3 | 170 | -173.3 | 0 | 0 | 111.8 | K24 R25 R30 E31 | K24-E28 WeakPolarHBondContact CE-OE1 3.45Å; K24-E28 WeakPolarHBondContact O-CG 3.36Å; K24-E28 PolarHBondContact O-N 3.48Å; R25-E28 PolarHBondContact O-N 2.89Å; E28-R30 VanDerWaalsContact C-N 3.33Å; E28-R30 PolarHBondContact O-N 2.9Å; E28-E31 WeakPolarHBondContact O-CB 3.44Å; E28-E31 PolarHBondContact O-N 3.09Å |
| 29 | A | 97.8 | Very high | 96.7 | Very high | 66 Ų | 66 | 100.1 Ų | 100.1 | 55% | 0.545 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.4 | -30.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | R25 K27 P32 | R25-A29 WeakPolarHBondContact O-CB 3.3Å; R25-A29 PolarHBondContact O-N 3.06Å; K27-A29 VanDerWaalsContact C-N 3.26Å; K27-A29 PolarHBondContact O-N 3.35Å; A29-P32 WeakPolarHBondContact O-CD 3.34Å; A29-P32 WeakPolarHBondContact O-CG 3.49Å |
| 30 | R | 98.1 | Very high | 96.6 | Very high | 134 Ų | 134 | 105.4 Ų | 105.4 | 51% | 0.506 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -84.2 | -25.5 | 179.4 | -73.3 | 179.6 | -159.4 | 116.3 | -6.4 | 113.7 | K26 K27 E28 P32 H33 E34 | K26-R30 VanDerWaalsContact O-CG 3.23Å; K26-R30 WeakPolarHBondContact O-CG 3.43Å; K26-R30 PolarHBondContact O-N 3.48Å; K26-R30 PolarHBondContact O-NH1 3Å; K27-R30 PolarHBondContact O-N 3.24Å; E28-R30 VanDerWaalsContact C-N 3.33Å; E28-R30 PolarHBondContact O-N 2.9Å; R30-P32 VanDerWaalsContact C-CD 3.44Å; R30-P32 VanDerWaalsContact C-N 3.35Å; R30-H33 PolarHBondContact O-N 3.46Å; R30-E34 PolarHBondContact O-N 3.23Å |
| 31 | E | 96.2 | Very high | 96.6 | Very high | 64 Ų | 64 | 108.6 Ų | 108.6 | 30% | 0.299 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -42.7 | -48.5 | 178.6 | -77.3 | -70 | 158.8 | 0 | 0 | 114.3 | K27 E28 H33 E34 R35 | K27-E31 PolarHBondContact O-N 2.94Å; E28-E31 WeakPolarHBondContact O-CB 3.44Å; E28-E31 PolarHBondContact O-N 3.09Å; E31-H33 PolarHBondContact O-N 3.01Å; E31-E34 PolarHBondContact O-N 2.95Å; E31-R35 WeakPolarHBondContact O-CB 3.37Å; E31-R35 PolarHBondContact O-N 3.18Å |
| 32 | P | 96.4 | Very high | 96.7 | Very high | 73 Ų | 73 | 105.4 Ų | 105.4 | 47% | 0.474 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.3 | -40.7 | 178.6 | 22.7 | -34.1 | 0 | 0 | 0 | 113.5 | A29 R30 R35 S36 | A29-P32 WeakPolarHBondContact O-CD 3.34Å; A29-P32 WeakPolarHBondContact O-CG 3.49Å; R30-P32 VanDerWaalsContact C-CD 3.44Å; R30-P32 VanDerWaalsContact C-N 3.35Å; P32-R35 PolarHBondContact O-N 3.48Å; P32-S36 PolarHBondContact O-N 3.29Å |
| 33 | H | 97.8 | Very high | 96.7 | Very high | 137 Ų | 137 | 110.4 Ų | 110.4 | 63% | 0.634 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69.5 | -43.3 | 177.7 | -65.2 | -67.5 | 0 | 0 | 0 | 111.7 | R30 E31 R35 S36 R37 | R30-H33 PolarHBondContact O-N 3.46Å; E31-H33 PolarHBondContact O-N 3.01Å; H33-R35 VanDerWaalsContact C-N 3.3Å; H33-R35 PolarHBondContact O-N 2.71Å; H33-S36 PolarHBondContact O-N 2.92Å; H33-R37 WeakPolarHBondContact O-CB 3.35Å; H33-R37 PolarHBondContact O-N 3.44Å |
| 34 | E | 96.5 | Very high | 96.6 | Very high | 67 Ų | 67 | 106 Ų | 106 | 31% | 0.313 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 175.1 | -73.7 | -165.2 | -173.9 | 0 | 0 | 111.5 | R30 E31 R37 K38 | R30-E34 PolarHBondContact O-N 3.23Å; E31-E34 PolarHBondContact O-N 2.95Å; E34-R37 WeakPolarHBondContact O-CB 3.38Å; E34-R37 PolarHBondContact O-N 2.87Å; E34-K38 WeakPolarHBondContact O-CB 3.46Å; E34-K38 VanDerWaalsContact O-CG 3.3Å; E34-K38 WeakPolarHBondContact O-CG 3.37Å; E34-K38 PolarHBondContact O-N 3.46Å; E34-K38 IonicContact OE2-NZ 3.82Å |
| 35 | R | 94.9 | Very high | 96.6 | Very high | 107 Ų | 107 | 107.7 Ų | 107.7 | 40% | 0.404 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.2 | -44.5 | 178.3 | -167.9 | -176.4 | -64.6 | 156.8 | -10.2 | 112 | E31 P32 H33 R37 K38 A39 R54 | E31-R35 WeakPolarHBondContact O-CB 3.37Å; E31-R35 PolarHBondContact O-N 3.18Å; P32-R35 PolarHBondContact O-N 3.48Å; H33-R35 VanDerWaalsContact C-N 3.3Å; H33-R35 PolarHBondContact O-N 2.71Å; R35-R37 VanDerWaalsContact C-N 3.33Å; R35-K38 PolarHBondContact O-N 3.31Å; R35-A39 PolarHBondContact O-N 3.35Å; R35-R54 VanDerWaalsContact CD-NH1 3.32Å |
| 36 | S | 94.9 | Very high | 96.6 | Very high | 61 Ų | 61 | 107.9 Ų | 107.9 | 43% | 0.427 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.9 | -43 | 173.3 | -179.6 | 0 | 0 | 0 | 0 | 111.5 | P32 H33 A39 K40 | P32-S36 PolarHBondContact O-N 3.29Å; H33-S36 PolarHBondContact O-N 2.92Å; S36-A39 PolarHBondContact O-N 3.08Å; S36-K40 WeakPolarHBondContact O-CG 3.36Å; S36-K40 PolarHBondContact O-N 3.44Å; S36-K40 VanDerWaalsContact O-N 3.15Å |
| 37 | R | 96.8 | Very high | 96.5 | Very high | 145 Ų | 145 | 104.9 Ų | 104.9 | 55% | 0.547 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 175.5 | -174.3 | -172.7 | -65.6 | 170.5 | -1.5 | 112.1 | H33 E34 R35 K40 K41 | H33-R37 WeakPolarHBondContact O-CB 3.35Å; H33-R37 PolarHBondContact O-N 3.44Å; E34-R37 WeakPolarHBondContact O-CB 3.38Å; E34-R37 PolarHBondContact O-N 2.87Å; R35-R37 VanDerWaalsContact C-N 3.33Å; R37-K40 PolarHBondContact O-N 2.96Å; R37-K41 HydrophobicContact CG-CD 3.93Å; R37-K41 HydrophobicContact CG-CG 4.37Å; R37-K41 WeakPolarHBondContact O-CB 3.42Å; R37-K41 WeakPolarHBondContact O-CG 3.33Å; R37-K41 PolarHBondContact O-N 2.97Å |
| 38 | K | 95.7 | Very high | 96.5 | Very high | 110 Ų | 110 | 106 Ų | 106 | 48% | 0.478 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.7 | -46 | 176.5 | -74.5 | 171.4 | -170.1 | 170 | 0 | 110.6 | E34 R35 K40 K41 L42 | E34-K38 WeakPolarHBondContact O-CB 3.46Å; E34-K38 VanDerWaalsContact O-CG 3.3Å; E34-K38 WeakPolarHBondContact O-CG 3.37Å; E34-K38 PolarHBondContact O-N 3.46Å; E34-K38 IonicContact OE2-NZ 3.82Å; R35-K38 PolarHBondContact O-N 3.31Å; K38-K40 VanDerWaalsContact C-N 3.27Å; K38-K40 PolarHBondContact O-N 3.46Å; K38-K41 PolarHBondContact O-N 3.46Å; K38-L42 HydrophobicContact CB-CD1 4.17Å; K38-L42 HydrophobicContact CB-CG 4.46Å; K38-L42 VanDerWaalsContact O-CB 3.28Å; K38-L42 WeakPolarHBondContact O-CB 3.47Å; K38-L42 WeakPolarHBondContact O-CG 3.43Å; K38-L42 PolarHBondContact O-N 2.9Å |
| 39 | A | 95.2 | Very high | 96.5 | Very high | 64 Ų | 64 | 105 Ų | 105 | 53% | 0.529 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58 | -38.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | R35 S36 | R35-A39 PolarHBondContact O-N 3.35Å; S36-A39 PolarHBondContact O-N 3.08Å |
| 40 | K | 94.9 | Very high | 96.5 | Very high | 156 Ų | 156 | 103 Ų | 103 | 68% | 0.678 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -76.8 | -36.8 | 178 | -66.4 | 177.9 | -177.6 | -172.8 | 0 | 113.6 | S36 R37 K38 | S36-K40 WeakPolarHBondContact O-CG 3.36Å; S36-K40 PolarHBondContact O-N 3.44Å; S36-K40 VanDerWaalsContact O-N 3.15Å; R37-K40 PolarHBondContact O-N 2.96Å; K38-K40 VanDerWaalsContact C-N 3.27Å; K38-K40 PolarHBondContact O-N 3.46Å |
| 41 | K | 96.9 | Very high | 96.4 | Very high | 150 Ų | 150 | 101.3 Ų | 101.3 | 65% | 0.652 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -90.8 | -29 | -172 | -69.4 | -169 | 178.4 | -166.7 | 0 | 114.1 | R37 K38 | R37-K41 HydrophobicContact CG-CD 3.93Å; R37-K41 HydrophobicContact CG-CG 4.37Å; R37-K41 WeakPolarHBondContact O-CB 3.42Å; R37-K41 WeakPolarHBondContact O-CG 3.33Å; R37-K41 PolarHBondContact O-N 2.97Å; K38-K41 PolarHBondContact O-N 3.46Å |
| 42 | L | 96.4 | Very high | 96.5 | Very high | 59 Ų | 59 | 104.8 Ų | 104.8 | 31% | 0.309 | 51% | 0.513 | S | S | . | . | trans | -64.4 | 136.6 | -178.5 | -72 | 173.2 | 0 | 0 | 0 | 110.6 | K38 K46 A47 A50 | K38-L42 HydrophobicContact CB-CD1 4.17Å; K38-L42 HydrophobicContact CB-CG 4.46Å; K38-L42 VanDerWaalsContact O-CB 3.28Å; K38-L42 WeakPolarHBondContact O-CB 3.47Å; K38-L42 WeakPolarHBondContact O-CG 3.43Å; K38-L42 PolarHBondContact O-N 2.9Å; L42-K46 HydrophobicContact CD2-CB 4.23Å; L42-A47 HydrophobicContact CB-CB 4.1Å; L42-A47 WeakPolarHBondContact O-CB 3.45Å; L42-A50 HydrophobicContact CD1-CB 3.74Å | ||
| 43 | R | 96 | Very high | 96.5 | Very high | 202 Ų | 202 | 106.4 Ų | 106.4 | 76% | 0.762 | 51% | 0.514 | S | S | * | . | trans | -125 | 163.1 | 179.3 | -58.3 | -62.8 | -177.5 | 166.3 | 1.2 | 111.2 | ||||
| 44 | G | 96.9 | Very high | 96.4 | Very high | 54 Ų | 54 | 103.8 Ų | 103.8 | 56% | 0.557 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | 60.9 | -141.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | K46 A47 K48 | G44-K46 VanDerWaalsContact C-N 3.3Å; G44-K46 PolarHBondContact O-N 3.44Å; G44-A47 WeakPolarHBondContact O-CB 3.34Å; G44-A47 PolarHBondContact O-N 2.92Å; G44-K48 PolarHBondContact O-N 3.14Å |
| 45 | L | 97.1 | Very high | 96.5 | Very high | 134 Ų | 134 | 107.3 Ų | 107.3 | 70% | 0.702 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.4 | -36.9 | -178.3 | -66.3 | 175.8 | 0 | 0 | 0 | 112.9 | A47 K48 I49 | L45-A47 VanDerWaalsContact C-N 3.29Å; L45-A47 PolarHBondContact O-N 3.26Å; L45-K48 PolarHBondContact O-N 3.1Å; L45-K48 VanDerWaalsContact O-N 3.15Å; L45-I49 WeakPolarHBondContact O-CG1 3.48Å; L45-I49 PolarHBondContact O-N 3.17Å |
| 46 | K | 96.6 | Very high | 96.6 | Very high | 155 Ų | 155 | 108.3 Ų | 108.3 | 67% | 0.674 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.5 | -39.3 | 178.7 | -65.1 | -177.6 | 179.4 | 178.3 | 0 | 111.7 | L42 G44 I49 A50 | L42-K46 HydrophobicContact CD2-CB 4.23Å; G44-K46 VanDerWaalsContact C-N 3.3Å; G44-K46 PolarHBondContact O-N 3.44Å; K46-I49 PolarHBondContact O-N 2.87Å; K46-A50 WeakPolarHBondContact O-CB 3.48Å; K46-A50 PolarHBondContact O-N 3.27Å |
| 47 | A | 97.4 | Very high | 96.7 | Very high | 20 Ų | 20 | 109.6 Ų | 109.6 | 17% | 0.165 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -65.9 | -42 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | L42 G44 L45 I49 A50 N51 | L42-A47 HydrophobicContact CB-CB 4.1Å; L42-A47 WeakPolarHBondContact O-CB 3.45Å; G44-A47 WeakPolarHBondContact O-CB 3.34Å; G44-A47 PolarHBondContact O-N 2.92Å; L45-A47 VanDerWaalsContact C-N 3.29Å; L45-A47 PolarHBondContact O-N 3.26Å; A47-I49 PolarHBondContact O-N 3.44Å; A47-A50 PolarHBondContact O-N 3.42Å; A47-N51 WeakPolarHBondContact O-CB 3.44Å; A47-N51 VanDerWaalsContact O-CG 3.29Å; A47-N51 PolarHBondContact O-N 3.38Å; A47-N51 PolarHBondContact O-ND2 3.3Å |
| 48 | K | 97.3 | Very high | 96.7 | Very high | 152 Ų | 152 | 109.4 Ų | 109.4 | 66% | 0.661 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.4 | -43.8 | 177 | -65.9 | -176.6 | 178.1 | -178 | 0 | 111.7 | G44 L45 K52 | G44-K48 PolarHBondContact O-N 3.14Å; L45-K48 PolarHBondContact O-N 3.1Å; L45-K48 VanDerWaalsContact O-N 3.15Å; K48-K52 WeakPolarHBondContact O-CB 3.42Å; K48-K52 PolarHBondContact O-N 3.49Å; K48-K52 VanDerWaalsContact O-N 3.09Å |
| 49 | I | 97.5 | Very high | 96.9 | Very high | 95 Ų | 95 | 106.6 Ų | 106.6 | 49% | 0.487 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.7 | -50.9 | 177.4 | -65.4 | 167 | 0 | 0 | 0 | 110.5 | L45 K46 A47 N51 K52 E53 | L45-I49 WeakPolarHBondContact O-CG1 3.48Å; L45-I49 PolarHBondContact O-N 3.17Å; K46-I49 PolarHBondContact O-N 2.87Å; A47-I49 PolarHBondContact O-N 3.44Å; I49-N51 VanDerWaalsContact C-N 3.32Å; I49-N51 PolarHBondContact O-N 2.9Å; I49-K52 WeakPolarHBondContact O-CB 3.41Å; I49-K52 PolarHBondContact O-N 2.89Å; I49-K52 VanDerWaalsContact O-N 3.11Å; I49-E53 PolarHBondContact O-N 2.95Å |
| 50 | A | 96.6 | Very high | 97 | Very high | 23 Ų | 23 | 108.9 Ų | 108.9 | 19% | 0.19 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -59.1 | -41.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L42 K46 A47 E53 R54 | L42-A50 HydrophobicContact CD1-CB 3.74Å; K46-A50 WeakPolarHBondContact O-CB 3.48Å; K46-A50 PolarHBondContact O-N 3.27Å; A47-A50 PolarHBondContact O-N 3.42Å; A50-E53 PolarHBondContact O-N 2.91Å; A50-R54 WeakPolarHBondContact O-CB 3.43Å; A50-R54 VanDerWaalsContact O-CG 3.23Å; A50-R54 WeakPolarHBondContact O-CG 3.31Å; A50-R54 PolarHBondContact O-N 3.34Å |
| 51 | N | 96.4 | Very high | 97.1 | Very high | 99 Ų | 99 | 106.7 Ų | 106.7 | 53% | 0.529 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66 | -38.7 | 176.9 | -73 | -19.2 | 0 | 0 | 0 | 112.5 | A47 I49 R54 F55 | A47-N51 WeakPolarHBondContact O-CB 3.44Å; A47-N51 VanDerWaalsContact O-CG 3.29Å; A47-N51 PolarHBondContact O-N 3.38Å; A47-N51 PolarHBondContact O-ND2 3.3Å; I49-N51 VanDerWaalsContact C-N 3.32Å; I49-N51 PolarHBondContact O-N 2.9Å; N51-R54 PolarHBondContact O-N 3.48Å; N51-F55 WeakPolarHBondContact O-CB 3.48Å; N51-F55 PolarHBondContact O-N 3.34Å |
| 52 | K | 97.6 | Very high | 97.1 | Very high | 137 Ų | 137 | 107.3 Ų | 107.3 | 60% | 0.596 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.5 | -43.4 | 175.5 | -176.3 | 176.4 | -177.4 | 177.1 | 0 | 111.6 | K48 I49 F55 K56 | K48-K52 WeakPolarHBondContact O-CB 3.42Å; K48-K52 PolarHBondContact O-N 3.49Å; K48-K52 VanDerWaalsContact O-N 3.09Å; I49-K52 WeakPolarHBondContact O-CB 3.41Å; I49-K52 PolarHBondContact O-N 2.89Å; I49-K52 VanDerWaalsContact O-N 3.11Å; K52-F55 PolarHBondContact O-N 3.36Å; K52-K56 WeakPolarHBondContact O-CG 3.32Å; K52-K56 PolarHBondContact O-N 2.95Å; K52-K56 VanDerWaalsContact O-N 3.08Å |
| 53 | E | 96.9 | Very high | 97.1 | Very high | 107 Ų | 107 | 110.5 Ų | 110.5 | 50% | 0.5 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.2 | -46.7 | 175.2 | -70.7 | 172 | 172.8 | 0 | 0 | 111.3 | I49 A50 F55 K56 E57 | I49-E53 PolarHBondContact O-N 2.95Å; A50-E53 PolarHBondContact O-N 2.91Å; E53-F55 VanDerWaalsContact C-N 3.3Å; E53-F55 PolarHBondContact O-N 3.36Å; E53-K56 WeakPolarHBondContact O-CB 3.36Å; E53-K56 PolarHBondContact O-N 2.97Å; E53-K56 VanDerWaalsContact O-N 3.12Å; E53-E57 WeakPolarHBondContact O-CG 3.49Å; E53-E57 PolarHBondContact O-N 3.47Å |
| 54 | R | 96.3 | Very high | 97.2 | Very high | 82 Ų | 82 | 103.7 Ų | 103.7 | 31% | 0.309 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.7 | -36.4 | 176.9 | -69.2 | -63.8 | -65.5 | 165.6 | -4.6 | 113.2 | R35 A50 N51 E57 K58 | R35-R54 VanDerWaalsContact CD-NH1 3.32Å; A50-R54 WeakPolarHBondContact O-CB 3.43Å; A50-R54 VanDerWaalsContact O-CG 3.23Å; A50-R54 WeakPolarHBondContact O-CG 3.31Å; A50-R54 PolarHBondContact O-N 3.34Å; N51-R54 PolarHBondContact O-N 3.48Å; R54-E57 WeakPolarHBondContact CD-OE2 3.47Å; R54-E57 IonicContact CZ-OE2 3.54Å; R54-E57 IonicContact NE-OE2 3.82Å; R54-E57 IonicContact NH1-OE2 2.64Å; R54-E57 PolarHBondContact NH1-OE2 3.17Å; R54-K58 WeakPolarHBondContact O-CG 3.42Å; R54-K58 PolarHBondContact O-N 3.07Å; R54-K58 VanDerWaalsContact O-N 3.08Å |
| 55 | F | 97.5 | Very high | 97.1 | Very high | 141 Ų | 141 | 105.7 Ų | 105.7 | 62% | 0.618 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.9 | -47.2 | 173.5 | 178.4 | -100.4 | 0 | 0 | 0 | 111.2 | N51 K52 E53 E57 K58 V59 | N51-F55 WeakPolarHBondContact O-CB 3.48Å; N51-F55 PolarHBondContact O-N 3.34Å; K52-F55 PolarHBondContact O-N 3.36Å; E53-F55 VanDerWaalsContact C-N 3.3Å; E53-F55 PolarHBondContact O-N 3.36Å; F55-E57 PolarHBondContact O-N 2.97Å; F55-K58 PolarHBondContact O-N 3.48Å; F55-V59 HydrophobicContact CD1-CG2 4.22Å; F55-V59 HydrophobicContact CD2-CG2 4.4Å; F55-V59 HydrophobicContact CE1-CG2 3.8Å; F55-V59 HydrophobicContact CE2-CG2 4Å; F55-V59 HydrophobicContact CZ-CG2 3.68Å; F55-V59 WeakPolarHBondContact O-CG2 3.42Å; F55-V59 PolarHBondContact O-N 3.19Å |
| 56 | K | 98 | Very high | 96.9 | Very high | 128 Ų | 128 | 107.4 Ų | 107.4 | 56% | 0.557 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -57.5 | -46.8 | 176.3 | -71 | 176.5 | 176.7 | -173.1 | 0 | 112 | K52 E53 K58 V59 Q60 | K52-K56 WeakPolarHBondContact O-CG 3.32Å; K52-K56 PolarHBondContact O-N 2.95Å; K52-K56 VanDerWaalsContact O-N 3.08Å; E53-K56 WeakPolarHBondContact O-CB 3.36Å; E53-K56 PolarHBondContact O-N 2.97Å; E53-K56 VanDerWaalsContact O-N 3.12Å; K56-K58 PolarHBondContact O-N 3.11Å; K56-V59 PolarHBondContact O-N 2.95Å; K56-Q60 WeakPolarHBondContact O-CB 3.43Å; K56-Q60 PolarHBondContact O-N 2.94Å |
| 57 | E | 96.9 | Very high | 96.7 | Very high | 89 Ų | 89 | 106.1 Ų | 106.1 | 42% | 0.416 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.3 | -47.6 | 176.9 | -71 | 171.9 | -173 | 0 | 0 | 111.9 | E53 R54 F55 V59 Q60 M61 | E53-E57 WeakPolarHBondContact O-CG 3.49Å; E53-E57 PolarHBondContact O-N 3.47Å; R54-E57 WeakPolarHBondContact CD-OE2 3.47Å; R54-E57 IonicContact CZ-OE2 3.54Å; R54-E57 IonicContact NE-OE2 3.82Å; R54-E57 IonicContact NH1-OE2 2.64Å; R54-E57 PolarHBondContact NH1-OE2 3.17Å; F55-E57 PolarHBondContact O-N 2.97Å; E57-V59 PolarHBondContact O-N 3.42Å; E57-Q60 PolarHBondContact O-N 3.33Å; E57-M61 WeakPolarHBondContact O-CG 3.41Å; E57-M61 PolarHBondContact O-N 3.08Å |
| 58 | K | 97.7 | Very high | 96.5 | Very high | 141 Ų | 141 | 112.2 Ų | 112.2 | 61% | 0.613 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.4 | -43.3 | 178.4 | -76.2 | -179.5 | 177.9 | -173.2 | 0 | 112.3 | R54 F55 K56 Q60 M61 K62 | R54-K58 WeakPolarHBondContact O-CG 3.42Å; R54-K58 PolarHBondContact O-N 3.07Å; R54-K58 VanDerWaalsContact O-N 3.08Å; F55-K58 PolarHBondContact O-N 3.48Å; K56-K58 PolarHBondContact O-N 3.11Å; K58-Q60 VanDerWaalsContact C-N 3.34Å; K58-M61 PolarHBondContact O-N 2.94Å; K58-K62 WeakPolarHBondContact O-CB 3.23Å; K58-K62 PolarHBondContact O-N 2.98Å |
| 59 | V | 98 | Very high | 96.1 | Very high | 51 Ų | 51 | 110.5 Ų | 110.5 | 31% | 0.309 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 177.2 | 170.4 | 0 | 0 | 0 | 0 | 110.4 | F55 K56 E57 K62 K63 | F55-V59 HydrophobicContact CD1-CG2 4.22Å; F55-V59 HydrophobicContact CD2-CG2 4.4Å; F55-V59 HydrophobicContact CE1-CG2 3.8Å; F55-V59 HydrophobicContact CE2-CG2 4Å; F55-V59 HydrophobicContact CZ-CG2 3.68Å; F55-V59 WeakPolarHBondContact O-CG2 3.42Å; F55-V59 PolarHBondContact O-N 3.19Å; K56-V59 PolarHBondContact O-N 2.95Å; E57-V59 PolarHBondContact O-N 3.42Å; V59-K62 PolarHBondContact O-N 3.42Å; V59-K63 HydrophobicContact CG1-CD 4.29Å; V59-K63 WeakPolarHBondContact O-CG 3.49Å; V59-K63 PolarHBondContact O-N 3.24Å |
| 60 | Q | 97.7 | Very high | 95.7 | Very high | 112 Ų | 112 | 108.6 Ų | 108.6 | 52% | 0.523 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.1 | -47.1 | 177 | -175.4 | 61.5 | 13.5 | 0 | 0 | 111.2 | K56 E57 K58 K62 K63 T64 | K56-Q60 WeakPolarHBondContact O-CB 3.43Å; K56-Q60 PolarHBondContact O-N 2.94Å; E57-Q60 PolarHBondContact O-N 3.33Å; K58-Q60 VanDerWaalsContact C-N 3.34Å; Q60-K62 PolarHBondContact O-N 3.18Å; Q60-K63 WeakPolarHBondContact O-CB 3.47Å; Q60-K63 PolarHBondContact O-N 3.41Å; Q60-T64 WeakPolarHBondContact O-CG2 3.48Å; Q60-T64 PolarHBondContact O-N 3.33Å; Q60-T64 PolarHBondContact O-OG1 3.4Å |
| 61 | M | 97.2 | Very high | 95.2 | Very high | 109 Ų | 109 | 116.1 Ų | 116.1 | 54% | 0.537 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.7 | -40.7 | 176.3 | -71 | -58.9 | -60 | 0 | 0 | 112.6 | E57 K58 K63 T64 L65 | E57-M61 WeakPolarHBondContact O-CG 3.41Å; E57-M61 PolarHBondContact O-N 3.08Å; K58-M61 PolarHBondContact O-N 2.94Å; M61-K63 VanDerWaalsContact C-N 3.32Å; M61-K63 PolarHBondContact O-N 3.11Å; M61-T64 WeakPolarHBondContact CA-OG1 3.16Å; M61-T64 PolarHBondContact O-N 3.12Å; M61-T64 PolarHBondContact O-OG1 3.08Å; M61-L65 WeakPolarHBondContact O-CB 3.44Å; M61-L65 VanDerWaalsContact O-CG 3.27Å; M61-L65 WeakPolarHBondContact O-CG 3.46Å; M61-L65 PolarHBondContact O-N 3.07Å |
| 62 | K | 97.6 | Very high | 94.2 | Very high | 163 Ų | 163 | 114.8 Ų | 114.8 | 71% | 0.709 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.9 | -40.3 | 175.6 | -174.1 | 175.2 | -178.8 | 177.2 | 0 | 111.3 | K58 V59 Q60 R66 | K58-K62 WeakPolarHBondContact O-CB 3.23Å; K58-K62 PolarHBondContact O-N 2.98Å; V59-K62 PolarHBondContact O-N 3.42Å; Q60-K62 PolarHBondContact O-N 3.18Å; K62-R66 WeakPolarHBondContact O-CB 3.48Å; K62-R66 PolarHBondContact O-N 3.43Å |
| 63 | K | 97.1 | Very high | 93.2 | Very high | 126 Ų | 126 | 114.9 Ų | 114.9 | 55% | 0.548 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.9 | -45.4 | 175.2 | -73.3 | 178 | 178.9 | -173.7 | 0 | 111.5 | V59 Q60 M61 R66 M67 | V59-K63 HydrophobicContact CG1-CD 4.29Å; V59-K63 WeakPolarHBondContact O-CG 3.49Å; V59-K63 PolarHBondContact O-N 3.24Å; Q60-K63 WeakPolarHBondContact O-CB 3.47Å; Q60-K63 PolarHBondContact O-N 3.41Å; M61-K63 VanDerWaalsContact C-N 3.32Å; M61-K63 PolarHBondContact O-N 3.11Å; K63-R66 PolarHBondContact O-N 3.36Å; K63-M67 WeakPolarHBondContact O-CB 3.13Å; K63-M67 VanDerWaalsContact O-CG 3.26Å; K63-M67 WeakPolarHBondContact O-CG 3.45Å; K63-M67 PolarHBondContact O-N 2.99Å |
| 64 | T | 96.1 | Very high | 91.8 | Very high | 59 Ų | 59 | 117.3 Ų | 117.3 | 36% | 0.362 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.3 | -41.5 | 180 | 55.9 | 0 | 0 | 0 | 0 | 112.1 | Q60 M61 M67 H68 | Q60-T64 WeakPolarHBondContact O-CG2 3.48Å; Q60-T64 PolarHBondContact O-N 3.33Å; Q60-T64 PolarHBondContact O-OG1 3.4Å; M61-T64 WeakPolarHBondContact CA-OG1 3.16Å; M61-T64 PolarHBondContact O-N 3.12Å; M61-T64 PolarHBondContact O-OG1 3.08Å; T64-M67 PolarHBondContact O-N 2.91Å; T64-H68 WeakPolarHBondContact O-CB 3.36Å; T64-H68 PolarHBondContact O-N 3.02Å |
| 65 | L | 94.8 | Very high | 90.1 | Very high | 97 Ų | 97 | 120 Ų | 120 | 51% | 0.508 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.2 | -48.2 | 173.5 | -70.4 | 171.7 | 0 | 0 | 0 | 111.2 | M61 M67 H68 E69 | M61-L65 WeakPolarHBondContact O-CB 3.44Å; M61-L65 VanDerWaalsContact O-CG 3.27Å; M61-L65 WeakPolarHBondContact O-CG 3.46Å; M61-L65 PolarHBondContact O-N 3.07Å; L65-M67 VanDerWaalsContact C-N 3.33Å; L65-M67 PolarHBondContact O-N 2.99Å; L65-H68 PolarHBondContact O-N 2.82Å; L65-H68 VanDerWaalsContact O-N 3.15Å; L65-E69 WeakPolarHBondContact O-CG 3.41Å; L65-E69 PolarHBondContact O-N 3.48Å |
| 66 | R | 93.3 | Very high | 88.2 | Confident | 170 Ų | 170 | 122 Ų | 122 | 64% | 0.642 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -58.5 | -43.5 | 175.7 | -174.7 | -179 | 179.8 | -166.4 | -0.1 | 111.9 | K62 K63 H68 E69 L70 | K62-R66 WeakPolarHBondContact O-CB 3.48Å; K62-R66 PolarHBondContact O-N 3.43Å; K63-R66 PolarHBondContact O-N 3.36Å; R66-H68 VanDerWaalsContact C-N 3.34Å; R66-H68 PolarHBondContact O-N 2.9Å; R66-E69 PolarHBondContact O-N 3.4Å; R66-L70 HydrophobicContact CG-CD1 3.9Å; R66-L70 HydrophobicContact CG-CG 4.32Å; R66-L70 WeakPolarHBondContact O-CB 3.46Å; R66-L70 WeakPolarHBondContact O-CG 3.38Å; R66-L70 PolarHBondContact O-N 3.34Å |
| 67 | M | 92.5 | Very high | 86.2 | Confident | 127 Ų | 127 | 122.9 Ų | 122.9 | 63% | 0.626 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.4 | -39.7 | 177 | -72.3 | -57 | -61.5 | 0 | 0 | 112 | K63 T64 L65 K71 | K63-M67 WeakPolarHBondContact O-CB 3.13Å; K63-M67 VanDerWaalsContact O-CG 3.26Å; K63-M67 WeakPolarHBondContact O-CG 3.45Å; K63-M67 PolarHBondContact O-N 2.99Å; T64-M67 PolarHBondContact O-N 2.91Å; L65-M67 VanDerWaalsContact C-N 3.33Å; L65-M67 PolarHBondContact O-N 2.99Å; M67-K71 WeakPolarHBondContact O-CB 3.49Å; M67-K71 PolarHBondContact O-N 3.48Å |
| 68 | H | 92.8 | Very high | 84 | Confident | 148 Ų | 148 | 125.2 Ų | 125.2 | 69% | 0.685 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.6 | -43.5 | 176.4 | -174.9 | -84.7 | 0 | 0 | 0 | 111.9 | T64 L65 R66 K71 | T64-H68 WeakPolarHBondContact O-CB 3.36Å; T64-H68 PolarHBondContact O-N 3.02Å; L65-H68 PolarHBondContact O-N 2.82Å; L65-H68 VanDerWaalsContact O-N 3.15Å; R66-H68 VanDerWaalsContact C-N 3.34Å; R66-H68 PolarHBondContact O-N 2.9Å; H68-K71 PolarHBondContact O-N 3.42Å |
| 69 | E | 90.8 | Very high | 81.7 | Confident | 117 Ų | 117 | 128 Ų | 128 | 55% | 0.547 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -62.9 | -40.7 | 175.5 | -72.1 | 169.8 | -171.4 | 0 | 0 | 112.5 | L65 R66 | L65-E69 WeakPolarHBondContact O-CG 3.41Å; L65-E69 PolarHBondContact O-N 3.48Å; R66-E69 PolarHBondContact O-N 3.4Å |
| 70 | L | 88.4 | Confident | 79.2 | Confident | 54 Ų | 54 | 129.7 Ų | 129.7 | 28% | 0.283 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -71.8 | -33.8 | 177.5 | -69.8 | 174.5 | 0 | 0 | 0 | 112.1 | R66 G72 K73 Q75 | R66-L70 HydrophobicContact CG-CD1 3.9Å; R66-L70 HydrophobicContact CG-CG 4.32Å; R66-L70 WeakPolarHBondContact O-CB 3.46Å; R66-L70 WeakPolarHBondContact O-CG 3.38Å; R66-L70 PolarHBondContact O-N 3.34Å; L70-G72 PolarHBondContact O-N 2.64Å; L70-K73 CarbonylContact O-C 3.42Å; L70-K73 PolarHBondContact O-N 3.41Å; L70-Q75 VanDerWaalsContact CD2-NE2 3.29Å |
| 71 | K | 85.9 | Confident | 76.8 | Confident | 182 Ų | 182 | 127.7 Ų | 127.7 | 79% | 0.791 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -61.8 | -29.8 | 178.8 | -171.6 | 175.6 | 179.5 | -177.3 | 0 | 113 | M67 H68 | M67-K71 WeakPolarHBondContact O-CB 3.49Å; M67-K71 PolarHBondContact O-N 3.48Å; H68-K71 PolarHBondContact O-N 3.42Å |
| 72 | G | 75.7 | Confident | 74.7 | Confident | 71 Ų | 71 | 132.5 Ų | 132.5 | 73% | 0.732 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -12.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | L70 | L70-G72 PolarHBondContact O-N 2.64Š|
| 73 | K | 75.4 | Confident | 72.9 | Confident | 139 Ų | 139 | 131.3 Ų | 131.3 | 60% | 0.604 | 68% | 0.678 | S | S | * | * | trans | -110.7 | 101.1 | -179.1 | -66.8 | 178.8 | -177.7 | 179.1 | 0 | 108.3 | L70 Q75 | L70-K73 CarbonylContact O-C 3.42Å; L70-K73 PolarHBondContact O-N 3.41Å; K73-Q75 PolarHBondContact O-N 2.98Å | ||
| 74 | N | 67.3 | Low | 71.4 | Confident | 158 Ų | 158 | 128 Ų | 128 | 85% | 0.845 | 68% | 0.679 | S | S | * | * | trans | -62.4 | 90.4 | 161.1 | -69.3 | -26.6 | 0 | 0 | 0 | 107.2 | K76 | N74-K76 VanDerWaalsContact C-N 3.31Å; N74-K76 PolarHBondContact O-N 2.97Å | ||
| 75 | Q | 61.9 | Low | 70.1 | Confident | 138 Ų | 138 | 133.1 Ų | 133.1 | 65% | 0.645 | 70% | 0.699 | S | S | * | * | trans | -66.5 | 101.8 | 166.5 | -69.3 | -171.8 | -12.2 | 0 | 0 | 105.3 | L70 K73 I77 | L70-Q75 VanDerWaalsContact CD2-NE2 3.29Å; K73-Q75 PolarHBondContact O-N 2.98Å; Q75-I77 PolarHBondContact O-N 3.32Å; Q75-I77 VanDerWaalsContact O-N 3.14Å | ||
| 76 | K | 56.8 | Low | 69 | Low | 183 Ų | 183 | 131.6 Ų | 131.6 | 80% | 0.796 | 69% | 0.694 | S | S | * | * | trans | -55.7 | 119.1 | 160 | -67.8 | -174.6 | 178 | -175.9 | 0 | 105 | N74 D78 | N74-K76 VanDerWaalsContact C-N 3.31Å; N74-K76 PolarHBondContact O-N 2.97Å; K76-D78 PolarHBondContact O-N 3.41Å; K76-D78 VanDerWaalsContact O-N 3.07Å | ||
| 77 | I | 56.3 | Low | 68.3 | Low | 146 Ų | 146 | 126.3 Ų | 126.3 | 75% | 0.749 | 68% | 0.681 | S | S | * | * | trans | -68.4 | 104.8 | 170.6 | -63.1 | 169.2 | 0 | 0 | 0 | 103.6 | Q75 E79 | Q75-I77 PolarHBondContact O-N 3.32Å; Q75-I77 VanDerWaalsContact O-N 3.14Å; I77-E79 PolarHBondContact O-N 3.11Å; I77-E79 VanDerWaalsContact O-N 3.15Å | ||
| 78 | D | 50.2 | Low | 67.7 | Low | 139 Ų | 139 | 124.4 Ų | 124.4 | 74% | 0.743 | 69% | 0.686 | S | S | * | * | trans | -61.8 | 118.4 | 168.7 | -67.2 | -34.8 | 0 | 0 | 0 | 106.7 | K76 A80 | K76-D78 PolarHBondContact O-N 3.41Å; K76-D78 VanDerWaalsContact O-N 3.07Å; D78-A80 PolarHBondContact O-N 3.09Å | ||
| 79 | E | 49.7 | Very low | 67.1 | Low | 200 Ų | 200 | 124.9 Ų | 124.9 | 94% | 0.935 | 68% | 0.682 | S | S | * | * | trans | -69.6 | 58.5 | -179.9 | -65.9 | -179.2 | 159.4 | 0 | 0 | 111.2 | I77 | I77-E79 PolarHBondContact O-N 3.11Å; I77-E79 VanDerWaalsContact O-N 3.15Å | ||
| 80 | A | 45.3 | Very low | 66.5 | Low | 86 Ų | 86 | 122.4 Ų | 122.4 | 71% | 0.711 | 67% | 0.673 | S | S | * | * | trans | -111.8 | 84.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | D78 R82 | D78-A80 PolarHBondContact O-N 3.09Å; A80-R82 PolarHBondContact O-N 2.97Å | ||
| 81 | G | 48.1 | Very low | 65.8 | Low | 70 Ų | 70 | 125 Ų | 125 | 72% | 0.722 | 69% | 0.686 | S | S | * | * | trans | 43.6 | 76.2 | 152 | 0 | 0 | 0 | 0 | 0 | 116.8 | S83 | G81-S83 PolarHBondContact O-N 3.23Š| ||
| 82 | R | 53.4 | Low | 65.3 | Low | 209 Ų | 209 | 122.9 Ų | 122.9 | 79% | 0.789 | 68% | 0.684 | S | S | * | * | trans | -72 | 121.3 | 164.5 | -94.8 | 176.6 | 157.4 | 160.2 | -4.9 | 108.8 | A80 G84 E85 | A80-R82 PolarHBondContact O-N 2.97Å; R82-G84 PolarHBondContact O-N 3.47Å; R82-E85 PolarHBondContact O-N 3.12Å | ||
| 83 | S | 59.1 | Low | 65 | Low | 139 Ų | 139 | 127.1 Ų | 127.1 | 97% | 0.972 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | 29.1 | 177.5 | 64.2 | 0 | 0 | 0 | 0 | 115.1 | G81 | G81-S83 PolarHBondContact O-N 3.23Š|
| 84 | G | 66.6 | Low | 64.5 | Low | 56 Ų | 56 | 122.6 Ų | 122.6 | 58% | 0.577 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153 | 26.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R82 V86 | R82-G84 PolarHBondContact O-N 3.47Å; G84-V86 PolarHBondContact O-N 3.37Å |
| 85 | E | 68.4 | Low | 64.4 | Low | 167 Ų | 167 | 122.8 Ų | 122.8 | 78% | 0.78 | 67% | 0.667 | S | S | * | * | trans | -72.1 | 93.6 | 177.8 | -154.1 | 154.2 | -131.9 | 0 | 0 | 109.3 | R82 | R82-E85 PolarHBondContact O-N 3.12Š| ||
| 86 | V | 72 | Confident | 64.4 | Low | 65 Ų | 65 | 123.2 Ų | 123.2 | 39% | 0.394 | 67% | 0.669 | S | S | . | * | trans | -85.7 | 133.8 | 171.2 | -159.2 | 0 | 0 | 0 | 0 | 106.9 | G84 L90 L91 | G84-V86 PolarHBondContact O-N 3.37Å; V86-L90 HydrophobicContact CB-CB 4.36Å; V86-L90 HydrophobicContact CG1-CB 3.3Å; V86-L90 HydrophobicContact CG1-CD1 3.6Å; V86-L90 HydrophobicContact CG1-CG 4.08Å; V86-L91 HydrophobicContact CB-CD2 4.31Å; V86-L91 WeakPolarHBondContact O-CD2 3.5Å | ||
| 87 | P | 78 | Confident | 64.9 | Low | 59 Ų | 59 | 119.8 Ų | 119.8 | 38% | 0.383 | 66% | 0.658 | S | S | . | * | trans | -47.5 | 144.4 | 177 | -31.4 | 34.6 | 0 | 0 | 0 | 112.6 | Y89 L90 | P87-Y89 HydrophobicContact CB-CD1 3.64Å; P87-Y89 HydrophobicContact CB-CE1 3.12Å; P87-Y89 HydrophobicContact CB-CE2 4.24Å; P87-Y89 HydrophobicContact CB-CG 4.38Å; P87-Y89 VanDerWaalsContact CB-CZ 3.45Å; P87-Y89 HydrophobicContact CG-CE1 4.01Å; P87-Y89 PolarHBondContact O-N 2.93Å; P87-L90 PolarHBondContact O-N 3.4Å | ||
| 88 | A | 80.5 | Confident | 65.5 | Low | 87 Ų | 87 | 115.6 Ų | 115.6 | 72% | 0.719 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -51.1 | -31.4 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L90 L91 | A88-L90 PolarHBondContact O-N 3.31Å; A88-L91 HydrophobicContact CB-CD1 4.35Å |
| 89 | Y | 79.9 | Confident | 66.6 | Low | 157 Ų | 157 | 111.7 Ų | 111.7 | 62% | 0.616 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -71 | -6.7 | 177.8 | 60.8 | -95.3 | 0 | 0 | 0 | 115.2 | P87 R93 | P87-Y89 HydrophobicContact CB-CD1 3.64Å; P87-Y89 HydrophobicContact CB-CE1 3.12Å; P87-Y89 HydrophobicContact CB-CE2 4.24Å; P87-Y89 HydrophobicContact CB-CG 4.38Å; P87-Y89 VanDerWaalsContact CB-CZ 3.45Å; P87-Y89 HydrophobicContact CG-CE1 4.01Å; P87-Y89 PolarHBondContact O-N 2.93Å; Y89-R93 PolarHBondContact O-NE 3.49Å |
| 90 | L | 76.5 | Confident | 68 | Low | 66 Ų | 66 | 109.5 Ų | 109.5 | 35% | 0.346 | 62% | 0.616 | S | S | . | * | G | 310 helix | trans | -117 | -7.1 | 179.8 | -69.6 | 173.5 | 0 | 0 | 0 | 113.9 | V86 P87 A88 D92 R93 | V86-L90 HydrophobicContact CB-CB 4.36Å; V86-L90 HydrophobicContact CG1-CB 3.3Å; V86-L90 HydrophobicContact CG1-CD1 3.6Å; V86-L90 HydrophobicContact CG1-CG 4.08Å; P87-L90 PolarHBondContact O-N 3.4Å; A88-L90 PolarHBondContact O-N 3.31Å; L90-D92 PolarHBondContact O-N 2.96Å; L90-R93 PolarHBondContact O-N 2.93Å |
| 91 | L | 75.7 | Confident | 69.7 | Low | 108 Ų | 108 | 109.3 Ų | 109.3 | 57% | 0.565 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | -21.8 | -168.8 | -77 | 173.1 | 0 | 0 | 0 | 115 | V86 A88 | V86-L91 HydrophobicContact CB-CD2 4.31Å; V86-L91 WeakPolarHBondContact O-CD2 3.5Å; A88-L91 HydrophobicContact CB-CD1 4.35Å |
| 92 | D | 73.5 | Confident | 71.2 | Confident | 138 Ų | 138 | 111.3 Ų | 111.3 | 74% | 0.738 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.1 | 4.6 | 179.4 | -58.8 | -53.2 | 0 | 0 | 0 | 113.8 | L90 | L90-D92 PolarHBondContact O-N 2.96Š|
| 93 | R | 70.4 | Confident | 72.6 | Confident | 159 Ų | 159 | 103.7 Ų | 103.7 | 60% | 0.6 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -25.8 | -176.7 | -63.5 | -171.5 | -178 | -176.5 | 2.4 | 113.1 | Y89 L90 E95 Q96 I97 | Y89-R93 PolarHBondContact O-NE 3.49Å; L90-R93 PolarHBondContact O-N 2.93Å; R93-E95 PolarHBondContact O-N 2.94Å; R93-Q96 PolarHBondContact O-N 2.98Å; R93-I97 PolarHBondContact O-N 3.44Å |
| 94 | G | 65.3 | Low | 74 | Confident | 45 Ų | 45 | 101 Ų | 101 | 46% | 0.464 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.1 | -34.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q96 I97 S98 | G94-Q96 PolarHBondContact O-N 3.24Å; G94-I97 PolarHBondContact O-N 2.81Å; G94-S98 PolarHBondContact O-N 3.38Å; G94-S98 PolarHBondContact O-OG 3.28Å |
| 95 | E | 64.5 | Low | 75 | Confident | 162 Ų | 162 | 100.8 Ų | 100.8 | 76% | 0.757 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67.5 | -36.4 | 179.2 | -69.3 | -166.3 | 158.5 | 0 | 0 | 112.1 | R93 S98 A99 | R93-E95 PolarHBondContact O-N 2.94Å; E95-S98 PolarHBondContact O-OG 3.31Å; E95-S98 VanDerWaalsContact O-OG 3.07Å; E95-A99 VanDerWaalsContact O-CB 3.3Å; E95-A99 WeakPolarHBondContact O-CB 3.45Å; E95-A99 PolarHBondContact O-N 3.35Å |
| 96 | Q | 62.3 | Low | 75.9 | Confident | 147 Ų | 147 | 96.6 Ų | 96.6 | 69% | 0.687 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -69.2 | -38 | 178.3 | -61.7 | -172.6 | 4.1 | 0 | 0 | 112.4 | R93 G94 K100 | R93-Q96 PolarHBondContact O-N 2.98Å; G94-Q96 PolarHBondContact O-N 3.24Å; Q96-K100 PolarHBondContact O-N 3Å |
| 97 | I | 66.3 | Low | 76.7 | Confident | 110 Ų | 110 | 100.1 Ų | 100.1 | 56% | 0.564 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -71 | -46.7 | -179.8 | -61.7 | 169.4 | 0 | 0 | 0 | 110 | R93 G94 A99 K100 V101 | R93-I97 PolarHBondContact O-N 3.44Å; G94-I97 PolarHBondContact O-N 2.81Å; I97-A99 PolarHBondContact O-N 3.17Å; I97-K100 PolarHBondContact O-N 3Å; I97-V101 WeakPolarHBondContact O-CG2 3.35Å; I97-V101 PolarHBondContact O-N 3.32Å |
| 98 | S | 68.7 | Low | 77.1 | Confident | 58 Ų | 58 | 103 Ų | 103 | 41% | 0.406 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.5 | -40 | 178.7 | 58.2 | 0 | 0 | 0 | 0 | 112.2 | G94 E95 K100 V101 L102 | G94-S98 PolarHBondContact O-N 3.38Å; G94-S98 PolarHBondContact O-OG 3.28Å; E95-S98 PolarHBondContact O-OG 3.31Å; E95-S98 VanDerWaalsContact O-OG 3.07Å; S98-K100 PolarHBondContact O-N 3.43Å; S98-V101 PolarHBondContact O-N 2.8Å; S98-L102 WeakPolarHBondContact O-CB 3.3Å; S98-L102 VanDerWaalsContact O-CG 3.22Å; S98-L102 WeakPolarHBondContact O-CG 3.45Å; S98-L102 PolarHBondContact O-N 3.46Å |
| 99 | A | 73.8 | Confident | 77.6 | Confident | 57 Ų | 57 | 105.7 Ų | 105.7 | 47% | 0.471 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E95 I97 L102 S103 | E95-A99 VanDerWaalsContact O-CB 3.3Å; E95-A99 WeakPolarHBondContact O-CB 3.45Å; E95-A99 PolarHBondContact O-N 3.35Å; I97-A99 PolarHBondContact O-N 3.17Å; A99-L102 PolarHBondContact O-N 3.36Å; A99-S103 WeakPolarHBondContact O-CB 3.46Å; A99-S103 PolarHBondContact O-N 3.15Å |
| 100 | K | 79.8 | Confident | 77.9 | Confident | 155 Ų | 155 | 105.2 Ų | 105.2 | 67% | 0.674 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.9 | -45 | 175.5 | -91 | 179.7 | 177.7 | 174.2 | 0 | 112 | Q96 I97 S98 S103 N104 | Q96-K100 PolarHBondContact O-N 3Å; I97-K100 PolarHBondContact O-N 3Å; S98-K100 PolarHBondContact O-N 3.43Å; K100-S103 PolarHBondContact O-N 3.28Å; K100-S103 PolarHBondContact O-OG 2.91Å; K100-N104 PolarHBondContact O-N 3.39Å; K100-N104 PolarHBondContact O-ND2 2.9Å |
| 101 | V | 80.3 | Confident | 78.4 | Confident | 82 Ų | 82 | 104.8 Ų | 104.8 | 50% | 0.497 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 177.3 | 174.4 | 0 | 0 | 0 | 0 | 111.3 | I97 S98 S103 N104 T105 | I97-V101 WeakPolarHBondContact O-CG2 3.35Å; I97-V101 PolarHBondContact O-N 3.32Å; S98-V101 PolarHBondContact O-N 2.8Å; V101-S103 VanDerWaalsContact C-N 3.34Å; V101-S103 PolarHBondContact O-N 3.41Å; V101-N104 PolarHBondContact O-N 2.91Å; V101-T105 HydrophobicContact CG1-CG2 4.47Å; V101-T105 WeakPolarHBondContact O-CG2 3.28Å; V101-T105 PolarHBondContact O-N 3.35Å; V101-T105 PolarHBondContact O-OG1 3.36Å; V101-T105 VanDerWaalsContact O-OG1 3.09Å |
| 102 | L | 80 | Confident | 78.8 | Confident | 111 Ų | 111 | 104.3 Ų | 104.3 | 58% | 0.581 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62 | -40.6 | 174.8 | -71.8 | 168.2 | 0 | 0 | 0 | 111.9 | S98 A99 N104 T105 V106 | S98-L102 WeakPolarHBondContact O-CB 3.3Å; S98-L102 VanDerWaalsContact O-CG 3.22Å; S98-L102 WeakPolarHBondContact O-CG 3.45Å; S98-L102 PolarHBondContact O-N 3.46Å; A99-L102 PolarHBondContact O-N 3.36Å; L102-N104 VanDerWaalsContact C-N 3.35Å; L102-N104 PolarHBondContact O-N 2.96Å; L102-T105 WeakPolarHBondContact CA-OG1 3.34Å; L102-T105 PolarHBondContact O-OG1 3.24Å; L102-V106 VanDerWaalsContact O-CG2 3.3Å; L102-V106 WeakPolarHBondContact O-CG2 3.39Å; L102-V106 PolarHBondContact O-N 3.28Å; L102-V106 VanDerWaalsContact O-N 3.08Å |
| 103 | S | 83.5 | Confident | 79.5 | Confident | 50 Ų | 50 | 104.8 Ų | 104.8 | 35% | 0.35 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64 | -39.6 | 177.1 | 81.7 | 0 | 0 | 0 | 0 | 112.4 | A99 K100 V101 K107 | A99-S103 WeakPolarHBondContact O-CB 3.46Å; A99-S103 PolarHBondContact O-N 3.15Å; K100-S103 PolarHBondContact O-N 3.28Å; K100-S103 PolarHBondContact O-OG 2.91Å; V101-S103 VanDerWaalsContact C-N 3.34Å; V101-S103 PolarHBondContact O-N 3.41Å; S103-K107 WeakPolarHBondContact O-CG 3.13Å; S103-K107 PolarHBondContact O-N 2.96Å; S103-K107 VanDerWaalsContact O-N 3.1Å |
| 104 | N | 88.2 | Confident | 80 | Confident | 82 Ų | 82 | 99.5 Ų | 99.5 | 44% | 0.439 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -71.6 | -42.3 | 179.7 | -71.8 | -20.2 | 0 | 0 | 0 | 111.8 | K100 V101 L102 V106 K107 Q108 | K100-N104 PolarHBondContact O-N 3.39Å; K100-N104 PolarHBondContact O-ND2 2.9Å; V101-N104 PolarHBondContact O-N 2.91Å; L102-N104 VanDerWaalsContact C-N 3.35Å; L102-N104 PolarHBondContact O-N 2.96Å; N104-V106 VanDerWaalsContact C-N 3.33Å; N104-V106 PolarHBondContact O-N 2.96Å; N104-K107 WeakPolarHBondContact O-CB 3.5Å; N104-K107 PolarHBondContact O-N 3.31Å; N104-K107 VanDerWaalsContact O-N 3.17Å; N104-Q108 WeakPolarHBondContact O-CG 3.5Å; N104-Q108 PolarHBondContact O-N 3.33Å |
| 105 | T | 87.4 | Confident | 81 | Confident | 52 Ų | 52 | 101.1 Ų | 101.1 | 32% | 0.319 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.6 | -37.9 | 176.2 | 52.2 | 0 | 0 | 0 | 0 | 112.1 | V101 L102 Q108 K109 | V101-T105 HydrophobicContact CG1-CG2 4.47Å; V101-T105 WeakPolarHBondContact O-CG2 3.28Å; V101-T105 PolarHBondContact O-N 3.35Å; V101-T105 PolarHBondContact O-OG1 3.36Å; V101-T105 VanDerWaalsContact O-OG1 3.09Å; L102-T105 WeakPolarHBondContact CA-OG1 3.34Å; L102-T105 PolarHBondContact O-OG1 3.24Å; T105-Q108 PolarHBondContact O-N 3.36Å; T105-K109 WeakPolarHBondContact O-CG 3.29Å; T105-K109 PolarHBondContact O-N 3.02Å |
| 106 | V | 87.2 | Confident | 81.9 | Confident | 79 Ų | 79 | 101.7 Ų | 101.7 | 48% | 0.479 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.7 | -41.3 | 172.9 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | L102 N104 K109 K110 | L102-V106 VanDerWaalsContact O-CG2 3.3Å; L102-V106 WeakPolarHBondContact O-CG2 3.39Å; L102-V106 PolarHBondContact O-N 3.28Å; L102-V106 VanDerWaalsContact O-N 3.08Å; N104-V106 VanDerWaalsContact C-N 3.33Å; N104-V106 PolarHBondContact O-N 2.96Å; V106-K109 PolarHBondContact O-N 3.49Å; V106-K110 WeakPolarHBondContact O-CG 3.23Å; V106-K110 PolarHBondContact O-N 3Å; V106-K110 VanDerWaalsContact O-N 3.07Å |
| 107 | K | 88.6 | Confident | 82.9 | Confident | 139 Ų | 139 | 99.6 Ų | 99.6 | 60% | 0.604 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.4 | -45.4 | 175.2 | -74.3 | 174.8 | -178 | 179.1 | 0 | 111.6 | S103 N104 K110 A111 | S103-K107 WeakPolarHBondContact O-CG 3.13Å; S103-K107 PolarHBondContact O-N 2.96Å; S103-K107 VanDerWaalsContact O-N 3.1Å; N104-K107 WeakPolarHBondContact O-CB 3.5Å; N104-K107 PolarHBondContact O-N 3.31Å; N104-K107 VanDerWaalsContact O-N 3.17Å; K107-K110 PolarHBondContact O-N 3.15Å; K107-K110 VanDerWaalsContact O-N 3.17Å; K107-A111 PolarHBondContact O-N 2.9Å |
| 108 | Q | 86.8 | Confident | 83.9 | Confident | 119 Ų | 119 | 99.7 Ų | 99.7 | 56% | 0.556 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.6 | -47 | 176.1 | -74.1 | 173.3 | -17.7 | 0 | 0 | 111.6 | N104 T105 K110 A111 E112 | N104-Q108 WeakPolarHBondContact O-CG 3.5Å; N104-Q108 PolarHBondContact O-N 3.33Å; T105-Q108 PolarHBondContact O-N 3.36Å; Q108-K110 VanDerWaalsContact C-N 3.27Å; Q108-K110 PolarHBondContact O-N 3.02Å; Q108-A111 PolarHBondContact O-N 2.85Å; Q108-A111 VanDerWaalsContact O-N 3.14Å; Q108-E112 WeakPolarHBondContact O-CG 3.41Å; Q108-E112 PolarHBondContact O-N 3.44Å |
| 109 | K | 90.3 | Very high | 84.7 | Confident | 144 Ų | 144 | 101.3 Ų | 101.3 | 63% | 0.626 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.1 | -31.5 | 175.7 | -75.3 | -174.9 | 176.8 | -178 | 0 | 113.7 | T105 V106 K113 | T105-K109 WeakPolarHBondContact O-CG 3.29Å; T105-K109 PolarHBondContact O-N 3.02Å; V106-K109 PolarHBondContact O-N 3.49Å; K109-K113 WeakPolarHBondContact O-CG 3.41Å; K109-K113 PolarHBondContact O-N 3.49Å |
| 110 | K | 86.3 | Confident | 85.2 | Confident | 147 Ų | 147 | 103.7 Ų | 103.7 | 64% | 0.639 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -72.3 | -43.3 | 173.9 | -74.8 | -178.9 | 178.9 | -175.5 | 0 | 111.7 | V106 K107 Q108 K113 A114 | V106-K110 WeakPolarHBondContact O-CG 3.23Å; V106-K110 PolarHBondContact O-N 3Å; V106-K110 VanDerWaalsContact O-N 3.07Å; K107-K110 PolarHBondContact O-N 3.15Å; K107-K110 VanDerWaalsContact O-N 3.17Å; Q108-K110 VanDerWaalsContact C-N 3.27Å; Q108-K110 PolarHBondContact O-N 3.02Å; K110-K113 PolarHBondContact O-N 3.13Å; K110-A114 PolarHBondContact O-N 3.35Å; K110-A114 VanDerWaalsContact O-N 3.11Å |
| 111 | A | 87.1 | Confident | 85.5 | Confident | 56 Ų | 56 | 105 Ų | 105 | 46% | 0.463 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.9 | -45.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | K107 Q108 K113 A114 V115 | K107-A111 PolarHBondContact O-N 2.9Å; Q108-A111 PolarHBondContact O-N 2.85Å; Q108-A111 VanDerWaalsContact O-N 3.14Å; A111-K113 VanDerWaalsContact C-N 3.33Å; A111-K113 PolarHBondContact O-N 2.85Å; A111-A114 PolarHBondContact O-N 3.45Å; A111-V115 WeakPolarHBondContact O-CG2 3.41Å; A111-V115 PolarHBondContact O-N 3.36Å |
| 112 | E | 83.8 | Confident | 85.8 | Confident | 98 Ų | 98 | 104.4 Ų | 104.4 | 46% | 0.458 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.2 | -39.6 | 176.9 | -73.5 | 176.1 | -159.9 | 0 | 0 | 112.9 | Q108 V115 R116 | Q108-E112 WeakPolarHBondContact O-CG 3.41Å; Q108-E112 PolarHBondContact O-N 3.44Å; E112-V115 PolarHBondContact O-N 2.93Å; E112-R116 WeakPolarHBondContact O-CG 3.43Å; E112-R116 PolarHBondContact O-N 3.35Å; E112-R116 IonicContact OE2-NH2 3.84Å |
| 113 | K | 87.9 | Confident | 86.1 | Confident | 148 Ų | 148 | 103.2 Ų | 103.2 | 64% | 0.643 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.1 | -42.1 | 175.9 | -76.5 | -179.2 | -179.4 | -171.7 | 0 | 112 | K109 K110 A111 R116 L117 | K109-K113 WeakPolarHBondContact O-CG 3.41Å; K109-K113 PolarHBondContact O-N 3.49Å; K110-K113 PolarHBondContact O-N 3.13Å; A111-K113 VanDerWaalsContact C-N 3.33Å; A111-K113 PolarHBondContact O-N 2.85Å; K113-R116 PolarHBondContact O-N 2.94Å; K113-L117 WeakPolarHBondContact O-CG 3.42Å; K113-L117 PolarHBondContact O-N 3.49Å; K113-L117 VanDerWaalsContact O-N 3.11Å |
| 114 | A | 82.1 | Confident | 86.1 | Confident | 49 Ų | 49 | 104 Ų | 104 | 41% | 0.405 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | K110 A111 R116 L117 I118 | K110-A114 PolarHBondContact O-N 3.35Å; K110-A114 VanDerWaalsContact O-N 3.11Å; A111-A114 PolarHBondContact O-N 3.45Å; A114-R116 PolarHBondContact O-N 3.41Å; A114-L117 PolarHBondContact O-N 3.41Å; A114-I118 VanDerWaalsContact O-CG1 3.32Å; A114-I118 WeakPolarHBondContact O-CG1 3.4Å; A114-I118 PolarHBondContact O-N 3.26Å |
| 115 | V | 85.9 | Confident | 85.9 | Confident | 79 Ų | 79 | 107.9 Ų | 107.9 | 48% | 0.479 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.5 | -43.2 | 176.3 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | A111 E112 L117 I118 N119 | A111-V115 WeakPolarHBondContact O-CG2 3.41Å; A111-V115 PolarHBondContact O-N 3.36Å; E112-V115 PolarHBondContact O-N 2.93Å; V115-L117 VanDerWaalsContact C-N 3.33Å; V115-L117 PolarHBondContact O-N 3.46Å; V115-I118 PolarHBondContact O-N 3.45Å; V115-N119 WeakPolarHBondContact O-CB 3.35Å; V115-N119 PolarHBondContact O-N 3.47Å |
| 116 | R | 84.3 | Confident | 85.7 | Confident | 173 Ų | 173 | 108.3 Ų | 108.3 | 65% | 0.653 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -59.8 | -41.7 | 175.6 | -74.7 | -179.5 | -154.2 | -171.2 | 5.5 | 112.6 | E112 K113 A114 L120 | E112-R116 WeakPolarHBondContact O-CG 3.43Å; E112-R116 PolarHBondContact O-N 3.35Å; E112-R116 IonicContact OE2-NH2 3.84Å; K113-R116 PolarHBondContact O-N 2.94Å; A114-R116 PolarHBondContact O-N 3.41Å; R116-L120 WeakPolarHBondContact O-CB 3.38Å; R116-L120 PolarHBondContact O-N 3.44Å |
| 117 | L | 83.4 | Confident | 85.4 | Confident | 104 Ų | 104 | 111.4 Ų | 111.4 | 55% | 0.545 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.3 | -46.6 | 177.5 | -71.6 | 171.9 | 0 | 0 | 0 | 111.2 | K113 A114 V115 N119 L120 Y121 | K113-L117 WeakPolarHBondContact O-CG 3.42Å; K113-L117 PolarHBondContact O-N 3.49Å; K113-L117 VanDerWaalsContact O-N 3.11Å; A114-L117 PolarHBondContact O-N 3.41Å; V115-L117 VanDerWaalsContact C-N 3.33Å; V115-L117 PolarHBondContact O-N 3.46Å; L117-N119 VanDerWaalsContact C-N 3.33Å; L117-N119 PolarHBondContact O-N 2.89Å; L117-L120 WeakPolarHBondContact O-CB 3.26Å; L117-L120 PolarHBondContact O-N 2.7Å; L117-Y121 VanDerWaalsContact O-CD2 3.31Å; L117-Y121 WeakPolarHBondContact O-CD2 3.34Å; L117-Y121 PolarHBondContact O-N 3.5Å |
| 118 | I | 86.3 | Confident | 85 | Confident | 111 Ų | 111 | 110.1 Ų | 110.1 | 57% | 0.569 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -59.4 | -45.1 | 178.7 | -66.8 | 162.4 | 0 | 0 | 0 | 110.9 | A114 V115 L120 Y121 S122 | A114-I118 VanDerWaalsContact O-CG1 3.32Å; A114-I118 WeakPolarHBondContact O-CG1 3.4Å; A114-I118 PolarHBondContact O-N 3.26Å; V115-I118 PolarHBondContact O-N 3.45Å; I118-L120 VanDerWaalsContact C-N 3.33Å; I118-L120 PolarHBondContact O-N 2.94Å; I118-Y121 PolarHBondContact O-N 2.91Å; I118-S122 WeakPolarHBondContact O-CB 3.37Å; I118-S122 PolarHBondContact O-N 2.96Å |
| 119 | N | 86 | Confident | 84.8 | Confident | 93 Ų | 93 | 108.7 Ų | 108.7 | 50% | 0.497 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.1 | -40.8 | 177.7 | -72.1 | -12.1 | 0 | 0 | 0 | 111.6 | V115 L117 S122 T123 | V115-N119 WeakPolarHBondContact O-CB 3.35Å; V115-N119 PolarHBondContact O-N 3.47Å; L117-N119 VanDerWaalsContact C-N 3.33Å; L117-N119 PolarHBondContact O-N 2.89Å; N119-S122 PolarHBondContact O-N 3.21Å; N119-T123 WeakPolarHBondContact O-CG2 3.3Å; N119-T123 PolarHBondContact O-N 3.33Å; N119-T123 PolarHBondContact O-OG1 3.48Å |
| 120 | L | 84.7 | Confident | 84.2 | Confident | 106 Ų | 106 | 107.9 Ų | 107.9 | 56% | 0.555 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.6 | -46.5 | 177 | -161.5 | 80 | 0 | 0 | 0 | 111.6 | R116 L117 I118 S122 T123 C124 | R116-L120 WeakPolarHBondContact O-CB 3.38Å; R116-L120 PolarHBondContact O-N 3.44Å; L117-L120 WeakPolarHBondContact O-CB 3.26Å; L117-L120 PolarHBondContact O-N 2.7Å; I118-L120 VanDerWaalsContact C-N 3.33Å; I118-L120 PolarHBondContact O-N 2.94Å; L120-S122 PolarHBondContact O-N 3.09Å; L120-T123 WeakPolarHBondContact CA-OG1 3.08Å; L120-T123 PolarHBondContact O-N 3.29Å; L120-T123 PolarHBondContact O-OG1 3.29Å; L120-C124 WeakPolarHBondContact O-CB 3.43Å; L120-C124 PolarHBondContact O-N 3.46Å; L120-C124 PolarHBondContact O-SG 3.2Å |
| 121 | Y | 85.4 | Confident | 83.7 | Confident | 182 Ų | 182 | 108.6 Ų | 108.6 | 71% | 0.714 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60.9 | -44.1 | 176.1 | -89.3 | -82.2 | 0 | 0 | 0 | 111.8 | L117 I118 C124 Y125 | L117-Y121 VanDerWaalsContact O-CD2 3.31Å; L117-Y121 WeakPolarHBondContact O-CD2 3.34Å; L117-Y121 PolarHBondContact O-N 3.5Å; I118-Y121 PolarHBondContact O-N 2.91Å; Y121-C124 PolarHBondContact O-N 3.45Å; Y121-Y125 WeakPolarHBondContact O-CB 3.38Å; Y121-Y125 PolarHBondContact O-N 2.95Å |
| 122 | S | 86.5 | Confident | 82.5 | Confident | 70 Ų | 70 | 112.9 Ų | 112.9 | 49% | 0.49 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62 | -44.9 | 177 | -167.9 | 0 | 0 | 0 | 0 | 111.6 | I118 N119 L120 Y125 S126 | I118-S122 WeakPolarHBondContact O-CB 3.37Å; I118-S122 PolarHBondContact O-N 2.96Å; N119-S122 PolarHBondContact O-N 3.21Å; L120-S122 PolarHBondContact O-N 3.09Å; S122-Y125 PolarHBondContact O-N 2.99Å; S122-S126 WeakPolarHBondContact O-CB 3.11Å; S122-S126 PolarHBondContact O-N 2.89Å; S122-S126 PolarHBondContact O-OG 2.83Å |
| 123 | T | 86.3 | Confident | 81.1 | Confident | 86 Ų | 86 | 117.7 Ų | 117.7 | 53% | 0.528 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.4 | -40.4 | 178.2 | 47.6 | 0 | 0 | 0 | 0 | 112.5 | N119 L120 F127 | N119-T123 WeakPolarHBondContact O-CG2 3.3Å; N119-T123 PolarHBondContact O-N 3.33Å; N119-T123 PolarHBondContact O-OG1 3.48Å; L120-T123 WeakPolarHBondContact CA-OG1 3.08Å; L120-T123 PolarHBondContact O-N 3.29Å; L120-T123 PolarHBondContact O-OG1 3.29Å; T123-F127 WeakPolarHBondContact O-CB 2.99Å; T123-F127 PolarHBondContact O-N 2.95Å |
| 124 | C | 84.3 | Confident | 80.7 | Confident | 67 Ų | 67 | 116.2 Ų | 116.2 | 45% | 0.453 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66.3 | -40.1 | 176.6 | -69.1 | 0 | 0 | 0 | 0 | 111.8 | L120 Y121 F127 L128 | L120-C124 WeakPolarHBondContact O-CB 3.43Å; L120-C124 PolarHBondContact O-N 3.46Å; L120-C124 PolarHBondContact O-SG 3.2Å; Y121-C124 PolarHBondContact O-N 3.45Å; C124-F127 PolarHBondContact O-N 2.85Å; C124-L128 WeakPolarHBondContact O-CB 3.31Å; C124-L128 WeakPolarHBondContact O-CG 3.47Å; C124-L128 PolarHBondContact O-N 3.5Å |
| 125 | Y | 84 | Confident | 80.6 | Confident | 164 Ų | 164 | 119.7 Ų | 119.7 | 64% | 0.643 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -68.3 | -42.8 | 179 | -159.3 | -102.1 | 0 | 0 | 0 | 111.8 | Y121 S122 F127 L128 I129 | Y121-Y125 WeakPolarHBondContact O-CB 3.38Å; Y121-Y125 PolarHBondContact O-N 2.95Å; S122-Y125 PolarHBondContact O-N 2.99Å; Y125-F127 VanDerWaalsContact C-N 3.31Å; Y125-F127 PolarHBondContact O-N 2.97Å; Y125-L128 PolarHBondContact O-N 3.46Å; Y125-I129 HydrophobicContact CD1-CD1 3.51Å; Y125-I129 HydrophobicContact CD1-CG1 4.34Å; Y125-I129 HydrophobicContact CE1-CD1 3.48Å; Y125-I129 VanDerWaalsContact CE1-CD1 3.48Å; Y125-I129 HydrophobicContact CE1-CG1 4.28Å; Y125-I129 WeakPolarHBondContact O-CG1 3.02Å; Y125-I129 PolarHBondContact O-N 3.41Å |
| 126 | S | 81.8 | Confident | 80.4 | Confident | 60 Ų | 60 | 122 Ų | 122 | 42% | 0.42 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -62.5 | -36.8 | 172.5 | -67.1 | 0 | 0 | 0 | 0 | 112.4 | S122 N130 | S122-S126 WeakPolarHBondContact O-CB 3.11Å; S122-S126 PolarHBondContact O-N 2.89Å; S122-S126 PolarHBondContact O-OG 2.83Å; S126-N130 PolarHBondContact O-N 3.01Å; S126-N130 VanDerWaalsContact O-N 3.17Å; S126-N130 PolarHBondContact O-ND2 3.12Å |
| 127 | F | 82.4 | Confident | 80.1 | Confident | 145 Ų | 145 | 119 Ų | 119 | 64% | 0.636 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -67.7 | -42.2 | 175.9 | -157.8 | -94 | 0 | 0 | 0 | 111.8 | T123 C124 Y125 I129 N130 F131 | T123-F127 WeakPolarHBondContact O-CB 2.99Å; T123-F127 PolarHBondContact O-N 2.95Å; C124-F127 PolarHBondContact O-N 2.85Å; Y125-F127 VanDerWaalsContact C-N 3.31Å; Y125-F127 PolarHBondContact O-N 2.97Å; F127-I129 PolarHBondContact O-N 2.9Å; F127-N130 PolarHBondContact O-N 3.25Å; F127-F131 AromaticContact CE1-CD2 3.98Å; F127-F131 HydrophobicContact CE1-CD2 3.98Å; F127-F131 HydrophobicContact CE1-CE2 4.38Å; F127-F131 HydrophobicContact CZ-CD2 4.35Å; F127-F131 WeakPolarHBondContact O-CB 3.09Å; F127-F131 PolarHBondContact O-N 3.37Å; F127-F131 VanDerWaalsContact O-N 3.12Å |
| 128 | L | 79.1 | Confident | 79.9 | Confident | 112 Ų | 112 | 119.9 Ų | 119.9 | 59% | 0.586 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -63.2 | -37.5 | 175.9 | -79.4 | 162.5 | 0 | 0 | 0 | 112.9 | C124 Y125 N132 | C124-L128 WeakPolarHBondContact O-CB 3.31Å; C124-L128 WeakPolarHBondContact O-CG 3.47Å; C124-L128 PolarHBondContact O-N 3.5Å; Y125-L128 PolarHBondContact O-N 3.46Å; L128-N132 WeakPolarHBondContact O-CB 3.37Å; L128-N132 PolarHBondContact O-N 3.24Å |
| 129 | I | 82.2 | Confident | 79.5 | Confident | 88 Ų | 88 | 120.5 Ų | 120.5 | 45% | 0.451 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -68 | -42.2 | 176.6 | -68.9 | 164.5 | 0 | 0 | 0 | 111.4 | Y125 F127 F131 | Y125-I129 HydrophobicContact CD1-CD1 3.51Å; Y125-I129 HydrophobicContact CD1-CG1 4.34Å; Y125-I129 HydrophobicContact CE1-CD1 3.48Å; Y125-I129 VanDerWaalsContact CE1-CD1 3.48Å; Y125-I129 HydrophobicContact CE1-CG1 4.28Å; Y125-I129 WeakPolarHBondContact O-CG1 3.02Å; Y125-I129 PolarHBondContact O-N 3.41Å; F127-I129 PolarHBondContact O-N 2.9Å; I129-F131 VanDerWaalsContact C-N 3.3Å; I129-F131 PolarHBondContact O-N 3.01Å |
| 130 | N | 78.8 | Confident | 79 | Confident | 127 Ų | 127 | 122.5 Ų | 122.5 | 68% | 0.679 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -74.2 | -17.8 | -179.2 | -77 | -75.6 | 0 | 0 | 0 | 113.7 | S126 F127 | S126-N130 PolarHBondContact O-N 3.01Å; S126-N130 VanDerWaalsContact O-N 3.17Å; S126-N130 PolarHBondContact O-ND2 3.12Å; F127-N130 PolarHBondContact O-N 3.25Å |
| 131 | F | 75 | Confident | 78.6 | Confident | 163 Ų | 163 | 123.8 Ų | 123.8 | 72% | 0.715 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | -6.2 | 179.3 | -137.2 | -89.4 | 0 | 0 | 0 | 113.5 | F127 I129 | F127-F131 AromaticContact CE1-CD2 3.98Å; F127-F131 HydrophobicContact CE1-CD2 3.98Å; F127-F131 HydrophobicContact CE1-CE2 4.38Å; F127-F131 HydrophobicContact CZ-CD2 4.35Å; F127-F131 WeakPolarHBondContact O-CB 3.09Å; F127-F131 PolarHBondContact O-N 3.37Å; F127-F131 VanDerWaalsContact O-N 3.12Å; I129-F131 VanDerWaalsContact C-N 3.3Å; I129-F131 PolarHBondContact O-N 3.01Å |
| 132 | N | 62.6 | Low | 78 | Confident | 145 Ų | 145 | 118.9 Ų | 118.9 | 78% | 0.775 | 62% | 0.617 | S | S | * | * | trans | -108 | 16.4 | -177.8 | -142.8 | -31.5 | 0 | 0 | 0 | 112.8 | L128 | L128-N132 WeakPolarHBondContact O-CB 3.37Å; L128-N132 PolarHBondContact O-N 3.24Å | ||
| 133 | I | 53.4 | Low | 77.3 | Confident | 200 Ų | 200 | 123.4 Ų | 123.4 | 100% | 1.026 | 63% | 0.628 | S | S | * | * | trans | -119.6 | 0 | 166.6 | -62.8 | 172.4 | 0 | 0 | 0 | 106.3 |
Retrieved 133 of 133 residues in 39.6 ms
(Link to these results)