| 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 | 91.9 | Very high | 96.5 | Very high | 191 Ų | 191 | 105.5 Ų | 105.5 | 94% | 0.941 | 55% | 0.546 | S | S | * | . | 0 | -55 | 0 | -166.8 | 178.1 | -163.3 | 0 | 0 | 110.8 | D3 S4 I5 | M1-D3 PolarHBondContact O-N 2.95Å; M1-S4 PolarHBondContact O-N 3.44Å; M1-I5 HydrophobicContact CG-CD1 4.28Å; M1-I5 WeakPolarHBondContact O-CG1 3.49Å; M1-I5 PolarHBondContact O-N 3.05Å | |||
| 2 | I | 96.4 | Very high | 96.6 | Very high | 122 Ų | 122 | 110.5 Ų | 110.5 | 63% | 0.626 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -56.3 | -49.2 | 178.4 | -62.9 | 170.1 | 0 | 0 | 0 | 111.6 | S4 I5 Q6 | I2-S4 VanDerWaalsContact C-N 3.31Å; I2-S4 PolarHBondContact O-N 2.95Å; I2-I5 WeakPolarHBondContact O-CB 3.46Å; I2-I5 PolarHBondContact O-N 3.22Å; I2-Q6 HydrophobicContact CG2-CG 4.47Å; I2-Q6 PolarHBondContact O-N 3.45Å |
| 3 | D | 96 | Very high | 96.7 | Very high | 121 Ų | 121 | 108.2 Ų | 108.2 | 65% | 0.647 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61 | -37.5 | -178.4 | -48 | -20.4 | 0 | 0 | 0 | 113.2 | M1 I5 Q6 H7 | M1-D3 PolarHBondContact O-N 2.95Å; D3-I5 VanDerWaalsContact C-N 3.33Å; D3-I5 PolarHBondContact O-N 3.49Å; D3-Q6 PolarHBondContact O-N 2.95Å; D3-H7 PolarHBondContact O-N 3.31Å |
| 4 | S | 96.1 | Very high | 96.8 | Very high | 74 Ų | 74 | 107.6 Ų | 107.6 | 52% | 0.517 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.3 | -38.1 | 175.7 | -179.7 | 0 | 0 | 0 | 0 | 111.8 | M1 I2 D8 | M1-S4 PolarHBondContact O-N 3.44Å; I2-S4 VanDerWaalsContact C-N 3.31Å; I2-S4 PolarHBondContact O-N 2.95Å; S4-D8 PolarHBondContact O-N 3.35Å |
| 5 | I | 97.3 | Very high | 96.9 | Very high | 87 Ų | 87 | 110.3 Ų | 110.3 | 45% | 0.446 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.5 | -39.1 | 176.5 | -65.7 | 168.5 | 0 | 0 | 0 | 110.1 | M1 I2 D3 D8 I9 | M1-I5 HydrophobicContact CG-CD1 4.28Å; M1-I5 WeakPolarHBondContact O-CG1 3.49Å; M1-I5 PolarHBondContact O-N 3.05Å; I2-I5 WeakPolarHBondContact O-CB 3.46Å; I2-I5 PolarHBondContact O-N 3.22Å; D3-I5 VanDerWaalsContact C-N 3.33Å; D3-I5 PolarHBondContact O-N 3.49Å; I5-D8 PolarHBondContact O-N 3.3Å; I5-I9 HydrophobicContact CG2-CD1 3.81Å; I5-I9 HydrophobicContact CG2-CG1 4.42Å; I5-I9 WeakPolarHBondContact O-CB 3.19Å; I5-I9 WeakPolarHBondContact O-CD1 3.39Å; I5-I9 WeakPolarHBondContact O-CG1 3.45Å; I5-I9 PolarHBondContact O-N 3.32Å |
| 6 | Q | 96.7 | Very high | 96.9 | Very high | 105 Ų | 105 | 107.7 Ų | 107.7 | 49% | 0.491 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.1 | -46.8 | 175.6 | -72.9 | 178.6 | -30 | 0 | 0 | 111.5 | I2 D3 D8 I9 E10 | I2-Q6 HydrophobicContact CG2-CG 4.47Å; I2-Q6 PolarHBondContact O-N 3.45Å; D3-Q6 PolarHBondContact O-N 2.95Å; Q6-D8 PolarHBondContact O-N 2.84Å; Q6-I9 WeakPolarHBondContact O-CB 3.34Å; Q6-I9 PolarHBondContact O-N 3.18Å; Q6-E10 WeakPolarHBondContact O-CG 3.45Å; Q6-E10 PolarHBondContact O-N 3.17Å |
| 7 | H | 96.7 | Very high | 97 | Very high | 109 Ų | 109 | 106.6 Ų | 106.6 | 51% | 0.505 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 176.2 | -174.8 | 61.7 | 0 | 0 | 0 | 112.4 | D3 I9 E10 V11 | D3-H7 PolarHBondContact O-N 3.31Å; H7-I9 VanDerWaalsContact C-N 3.29Å; H7-I9 PolarHBondContact O-N 3.03Å; H7-E10 WeakPolarHBondContact O-CB 3.37Å; H7-E10 PolarHBondContact O-N 2.9Å; H7-E10 VanDerWaalsContact O-N 3.17Å; H7-V11 WeakPolarHBondContact O-CG2 3.48Å; H7-V11 PolarHBondContact O-N 3.21Å |
| 8 | D | 97.6 | Very high | 97.1 | Very high | 73 Ų | 73 | 109.7 Ų | 109.7 | 39% | 0.39 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.6 | -37.6 | 175.5 | -81.2 | 2.2 | 0 | 0 | 0 | 112.3 | S4 I5 Q6 R12 | S4-D8 PolarHBondContact O-N 3.35Å; I5-D8 PolarHBondContact O-N 3.3Å; Q6-D8 PolarHBondContact O-N 2.84Å; D8-R12 WeakPolarHBondContact O-CB 3.37Å; D8-R12 WeakPolarHBondContact O-CG 3.41Å; D8-R12 PolarHBondContact O-N 3.38Å |
| 9 | I | 97.7 | Very high | 97.1 | Very high | 85 Ų | 85 | 108 Ų | 108 | 44% | 0.436 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.6 | -44.5 | 174.5 | -72.4 | 165.5 | 0 | 0 | 0 | 110.2 | I5 Q6 H7 R12 N13 | I5-I9 HydrophobicContact CG2-CD1 3.81Å; I5-I9 HydrophobicContact CG2-CG1 4.42Å; I5-I9 WeakPolarHBondContact O-CB 3.19Å; I5-I9 WeakPolarHBondContact O-CD1 3.39Å; I5-I9 WeakPolarHBondContact O-CG1 3.45Å; I5-I9 PolarHBondContact O-N 3.32Å; Q6-I9 WeakPolarHBondContact O-CB 3.34Å; Q6-I9 PolarHBondContact O-N 3.18Å; H7-I9 VanDerWaalsContact C-N 3.29Å; H7-I9 PolarHBondContact O-N 3.03Å; I9-R12 PolarHBondContact O-N 3.04Å; I9-N13 WeakPolarHBondContact CG2-ND2 3.49Å; I9-N13 WeakPolarHBondContact O-CB 3.45Å; I9-N13 PolarHBondContact O-N 3.48Å; I9-N13 PolarHBondContact O-ND2 3.03Å |
| 10 | E | 97.3 | Very high | 97.2 | Very high | 122 Ų | 122 | 110.1 Ų | 110.1 | 57% | 0.57 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59.8 | -49 | 177.6 | -72.8 | 168.4 | -177.6 | 0 | 0 | 111.7 | Q6 H7 R12 N13 E14 | Q6-E10 WeakPolarHBondContact O-CG 3.45Å; Q6-E10 PolarHBondContact O-N 3.17Å; H7-E10 WeakPolarHBondContact O-CB 3.37Å; H7-E10 PolarHBondContact O-N 2.9Å; H7-E10 VanDerWaalsContact O-N 3.17Å; E10-R12 VanDerWaalsContact C-N 3.34Å; E10-R12 PolarHBondContact O-N 2.89Å; E10-N13 PolarHBondContact O-N 3.21Å; E10-E14 PolarHBondContact O-N 3.41Å |
| 11 | V | 97.4 | Very high | 97.2 | Very high | 72 Ų | 72 | 106.6 Ų | 106.6 | 44% | 0.436 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 177.8 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | H7 E14 Y15 | H7-V11 WeakPolarHBondContact O-CG2 3.48Å; H7-V11 PolarHBondContact O-N 3.21Å; V11-E14 PolarHBondContact O-N 2.95Å; V11-Y15 PolarHBondContact O-N 2.98Å |
| 12 | R | 97.8 | Very high | 97.5 | Very high | 165 Ų | 165 | 101.3 Ų | 101.3 | 62% | 0.623 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.2 | -40.1 | 176.7 | -72.6 | 174 | -164.4 | -169.2 | 7.1 | 112 | D8 I9 E10 E14 Y15 I16 | D8-R12 WeakPolarHBondContact O-CB 3.37Å; D8-R12 WeakPolarHBondContact O-CG 3.41Å; D8-R12 PolarHBondContact O-N 3.38Å; I9-R12 PolarHBondContact O-N 3.04Å; E10-R12 VanDerWaalsContact C-N 3.34Å; E10-R12 PolarHBondContact O-N 2.89Å; R12-E14 VanDerWaalsContact C-N 3.34Å; R12-Y15 PolarHBondContact O-N 3.22Å; R12-I16 WeakPolarHBondContact O-CB 3.19Å; R12-I16 WeakPolarHBondContact O-CD1 3.24Å; R12-I16 WeakPolarHBondContact O-CG1 3.44Å; R12-I16 PolarHBondContact O-N 3.44Å |
| 13 | N | 97.9 | Very high | 97.6 | Very high | 80 Ų | 80 | 101.4 Ų | 101.4 | 43% | 0.428 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.8 | -43 | 176.4 | -73.5 | -24.9 | 0 | 0 | 0 | 110.9 | I9 E10 Y15 I16 D17 | I9-N13 WeakPolarHBondContact CG2-ND2 3.49Å; I9-N13 WeakPolarHBondContact O-CB 3.45Å; I9-N13 PolarHBondContact O-N 3.48Å; I9-N13 PolarHBondContact O-ND2 3.03Å; E10-N13 PolarHBondContact O-N 3.21Å; N13-Y15 VanDerWaalsContact C-N 3.34Å; N13-Y15 PolarHBondContact O-N 2.87Å; N13-I16 WeakPolarHBondContact O-CB 3.48Å; N13-I16 PolarHBondContact O-N 3.31Å; N13-D17 PolarHBondContact O-N 3.42Å |
| 14 | E | 97.8 | Very high | 97.7 | Very high | 101 Ų | 101 | 101.1 Ų | 101.1 | 47% | 0.472 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 174.9 | -166.8 | -165.5 | 153.3 | 0 | 0 | 111.6 | E10 V11 R12 I16 D17 R18 | E10-E14 PolarHBondContact O-N 3.41Å; V11-E14 PolarHBondContact O-N 2.95Å; R12-E14 VanDerWaalsContact C-N 3.34Å; E14-I16 PolarHBondContact O-N 2.91Å; E14-D17 PolarHBondContact O-N 2.95Å; E14-R18 WeakPolarHBondContact O-CG 3.21Å; E14-R18 PolarHBondContact O-N 2.96Å; E14-R18 IonicContact OE1-CZ 2.66Å; E14-R18 VanDerWaalsContact OE1-CZ 3.28Å; E14-R18 IonicContact OE1-NE 3.33Å; E14-R18 PolarHBondContact OE1-NE 2.92Å; E14-R18 VanDerWaalsContact OE1-NE 3.07Å; E14-R18 IonicContact OE1-NH2 3.07Å; E14-R18 PolarHBondContact OE1-NH2 2.94Å |
| 15 | Y | 98.3 | Very high | 97.8 | Very high | 148 Ų | 148 | 103.6 Ų | 103.6 | 58% | 0.58 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.1 | -41.3 | 176.2 | -177.3 | -110.7 | 0 | 0 | 0 | 112.4 | V11 R12 N13 D17 R18 L19 | V11-Y15 PolarHBondContact O-N 2.98Å; R12-Y15 PolarHBondContact O-N 3.22Å; N13-Y15 VanDerWaalsContact C-N 3.34Å; N13-Y15 PolarHBondContact O-N 2.87Å; Y15-D17 VanDerWaalsContact C-N 3.31Å; Y15-D17 PolarHBondContact O-N 3.46Å; Y15-R18 PolarHBondContact O-N 2.66Å; Y15-L19 HydrophobicContact CD1-CD1 3.86Å; Y15-L19 HydrophobicContact CD1-CG 4.42Å; Y15-L19 HydrophobicContact CE1-CD1 3.33Å; Y15-L19 HydrophobicContact CE1-CG 4.03Å; Y15-L19 HydrophobicContact CE2-CD1 4.46Å; Y15-L19 HydrophobicContact CE2-CG 4.3Å; Y15-L19 WeakPolarHBondContact O-CG 3.47Å; Y15-L19 PolarHBondContact O-N 3.39Å |
| 16 | I | 98.1 | Very high | 97.8 | Very high | 68 Ų | 68 | 101.7 Ų | 101.7 | 35% | 0.349 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.9 | -43.1 | 174.5 | -72.9 | 164.4 | 0 | 0 | 0 | 110.5 | R12 N13 E14 L19 R20 | R12-I16 WeakPolarHBondContact O-CB 3.19Å; R12-I16 WeakPolarHBondContact O-CD1 3.24Å; R12-I16 WeakPolarHBondContact O-CG1 3.44Å; R12-I16 PolarHBondContact O-N 3.44Å; N13-I16 WeakPolarHBondContact O-CB 3.48Å; N13-I16 PolarHBondContact O-N 3.31Å; E14-I16 PolarHBondContact O-N 2.91Å; I16-L19 PolarHBondContact O-N 3.37Å; I16-R20 HydrophobicContact CG2-CG 4.44Å; I16-R20 VanDerWaalsContact CG2-CZ 3.41Å; I16-R20 WeakPolarHBondContact O-CB 3.38Å; I16-R20 VanDerWaalsContact O-CG 3.24Å; I16-R20 WeakPolarHBondContact O-CG 3.35Å; I16-R20 PolarHBondContact O-N 3.39Å |
| 17 | D | 98.1 | Very high | 97.9 | Very high | 90 Ų | 90 | 103 Ų | 103 | 48% | 0.481 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.3 | -36.9 | -179.2 | -70.6 | -22.5 | 0 | 0 | 0 | 112.3 | N13 E14 Y15 R20 G21 | N13-D17 PolarHBondContact O-N 3.42Å; E14-D17 PolarHBondContact O-N 2.95Å; Y15-D17 VanDerWaalsContact C-N 3.31Å; Y15-D17 PolarHBondContact O-N 3.46Å; D17-R20 PolarHBondContact O-N 3.25Å; D17-R20 IonicContact OD1-NH1 2.98Å; D17-R20 PolarHBondContact OD1-NH1 2.98Å; D17-G21 PolarHBondContact O-N 3.49Å |
| 18 | R | 98.1 | Very high | 97.9 | Very high | 162 Ų | 162 | 101.6 Ų | 101.6 | 61% | 0.611 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.1 | -48.6 | 170.2 | -71.1 | 173.7 | -177.5 | -128.9 | 7.2 | 111.5 | E14 Y15 R20 G21 C22 | E14-R18 WeakPolarHBondContact O-CG 3.21Å; E14-R18 PolarHBondContact O-N 2.96Å; E14-R18 IonicContact OE1-CZ 2.66Å; E14-R18 VanDerWaalsContact OE1-CZ 3.28Å; E14-R18 IonicContact OE1-NE 3.33Å; E14-R18 PolarHBondContact OE1-NE 2.92Å; E14-R18 VanDerWaalsContact OE1-NE 3.07Å; E14-R18 IonicContact OE1-NH2 3.07Å; E14-R18 PolarHBondContact OE1-NH2 2.94Å; Y15-R18 PolarHBondContact O-N 2.66Å; R18-R20 VanDerWaalsContact C-N 3.33Å; R18-R20 PolarHBondContact O-N 3.31Å; R18-G21 PolarHBondContact O-N 3.39Å; R18-G21 VanDerWaalsContact O-N 3.17Å; R18-C22 PolarHBondContact O-N 3.35Å; R18-C22 PolarHBondContact O-SG 3.07Å; R18-C22 VanDerWaalsContact O-SG 3.4Å |
| 19 | L | 98.2 | Very high | 97.9 | Very high | 77 Ų | 77 | 102.3 Ų | 102.3 | 40% | 0.403 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 177.9 | -76.1 | 179 | 0 | 0 | 0 | 112.1 | Y15 I16 G21 C22 L23 | Y15-L19 HydrophobicContact CD1-CD1 3.86Å; Y15-L19 HydrophobicContact CD1-CG 4.42Å; Y15-L19 HydrophobicContact CE1-CD1 3.33Å; Y15-L19 HydrophobicContact CE1-CG 4.03Å; Y15-L19 HydrophobicContact CE2-CD1 4.46Å; Y15-L19 HydrophobicContact CE2-CG 4.3Å; Y15-L19 WeakPolarHBondContact O-CG 3.47Å; Y15-L19 PolarHBondContact O-N 3.39Å; I16-L19 PolarHBondContact O-N 3.37Å; L19-G21 VanDerWaalsContact C-N 3.33Å; L19-G21 PolarHBondContact O-N 3.33Å; L19-C22 PolarHBondContact O-N 2.98Å; L19-L23 WeakPolarHBondContact O-CG 3.36Å; L19-L23 PolarHBondContact O-N 2.98Å |
| 20 | R | 98.3 | Very high | 98 | Very high | 150 Ų | 150 | 104.1 Ų | 104.1 | 57% | 0.566 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.4 | -43.2 | 174.1 | -74.7 | 166.9 | 172.9 | 169 | -3.3 | 111.6 | I16 D17 R18 L23 L24 | I16-R20 HydrophobicContact CG2-CG 4.44Å; I16-R20 VanDerWaalsContact CG2-CZ 3.41Å; I16-R20 WeakPolarHBondContact O-CB 3.38Å; I16-R20 VanDerWaalsContact O-CG 3.24Å; I16-R20 WeakPolarHBondContact O-CG 3.35Å; I16-R20 PolarHBondContact O-N 3.39Å; D17-R20 PolarHBondContact O-N 3.25Å; D17-R20 IonicContact OD1-NH1 2.98Å; D17-R20 PolarHBondContact OD1-NH1 2.98Å; R18-R20 VanDerWaalsContact C-N 3.33Å; R18-R20 PolarHBondContact O-N 3.31Å; R20-L23 PolarHBondContact O-N 3.49Å; R20-L24 WeakPolarHBondContact O-CG 3.5Å; R20-L24 PolarHBondContact O-N 3.4Å |
| 21 | G | 98.1 | Very high | 98 | Very high | 37 Ų | 37 | 101.2 Ų | 101.2 | 38% | 0.381 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -57.7 | -50.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D17 R18 L19 L23 L24 E25 | D17-G21 PolarHBondContact O-N 3.49Å; R18-G21 PolarHBondContact O-N 3.39Å; R18-G21 VanDerWaalsContact O-N 3.17Å; L19-G21 VanDerWaalsContact C-N 3.33Å; L19-G21 PolarHBondContact O-N 3.33Å; G21-L23 VanDerWaalsContact C-N 3.33Å; G21-L23 PolarHBondContact O-N 3.17Å; G21-L24 PolarHBondContact O-N 2.96Å; G21-E25 WeakPolarHBondContact O-CB 3.44Å; G21-E25 PolarHBondContact O-N 2.96Å |
| 22 | C | 97.7 | Very high | 98 | Very high | 79 Ų | 79 | 100.7 Ų | 100.7 | 53% | 0.534 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.9 | -39.4 | 177.6 | -64.8 | 0 | 0 | 0 | 0 | 112.8 | R18 L19 A26 | R18-C22 PolarHBondContact O-N 3.35Å; R18-C22 PolarHBondContact O-SG 3.07Å; R18-C22 VanDerWaalsContact O-SG 3.4Å; L19-C22 PolarHBondContact O-N 2.98Å; C22-A26 WeakPolarHBondContact O-CB 3.48Å; C22-A26 PolarHBondContact O-N 3.47Å |
| 23 | L | 98.2 | Very high | 98 | Very high | 125 Ų | 125 | 97.2 Ų | 97.2 | 65% | 0.654 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.8 | -41.3 | 178 | -72.8 | 173.2 | 0 | 0 | 0 | 112.3 | L19 R20 G21 A26 E27 | L19-L23 WeakPolarHBondContact O-CG 3.36Å; L19-L23 PolarHBondContact O-N 2.98Å; R20-L23 PolarHBondContact O-N 3.49Å; G21-L23 VanDerWaalsContact C-N 3.33Å; G21-L23 PolarHBondContact O-N 3.17Å; L23-A26 PolarHBondContact O-N 3.44Å; L23-E27 WeakPolarHBondContact O-CB 3.38Å; L23-E27 PolarHBondContact O-N 3.43Å |
| 24 | L | 97.9 | Very high | 98 | Very high | 115 Ų | 115 | 100.5 Ų | 100.5 | 60% | 0.602 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65 | -40.3 | 175.9 | -73.5 | 171.7 | 0 | 0 | 0 | 111.9 | R20 G21 E27 S28 | R20-L24 WeakPolarHBondContact O-CG 3.5Å; R20-L24 PolarHBondContact O-N 3.4Å; G21-L24 PolarHBondContact O-N 2.96Å; L24-E27 PolarHBondContact O-N 3.43Å; L24-S28 WeakPolarHBondContact O-CB 3.47Å; L24-S28 PolarHBondContact O-N 2.97Å |
| 25 | E | 98.1 | Very high | 97.9 | Very high | 126 Ų | 126 | 99.7 Ų | 99.7 | 59% | 0.589 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.9 | -46.7 | 175.2 | -176.4 | 175.7 | -171.7 | 0 | 0 | 111.1 | G21 E27 S28 I29 | G21-E25 WeakPolarHBondContact O-CB 3.44Å; G21-E25 PolarHBondContact O-N 2.96Å; E25-E27 VanDerWaalsContact C-N 3.34Å; E25-E27 PolarHBondContact O-N 3.41Å; E25-S28 WeakPolarHBondContact O-CB 3.37Å; E25-S28 PolarHBondContact O-N 3.32Å; E25-I29 HydrophobicContact CG-CD1 4.13Å; E25-I29 WeakPolarHBondContact O-CG1 3.45Å; E25-I29 PolarHBondContact O-N 3.37Å |
| 26 | A | 98.2 | Very high | 97.9 | Very high | 46 Ų | 46 | 96.7 Ų | 96.7 | 38% | 0.38 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.3 | -42.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | C22 L23 I29 L30 | C22-A26 WeakPolarHBondContact O-CB 3.48Å; C22-A26 PolarHBondContact O-N 3.47Å; L23-A26 PolarHBondContact O-N 3.44Å; A26-I29 PolarHBondContact O-N 2.95Å; A26-L30 WeakPolarHBondContact O-CG 3.38Å; A26-L30 PolarHBondContact O-N 3Å |
| 27 | E | 98 | Very high | 97.9 | Very high | 132 Ų | 132 | 99.4 Ų | 99.4 | 62% | 0.617 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62 | -43.2 | 175.1 | -173.4 | -179.3 | 178 | 0 | 0 | 111.7 | L23 L24 E25 I29 L30 A31 | L23-E27 WeakPolarHBondContact O-CB 3.38Å; L23-E27 PolarHBondContact O-N 3.43Å; L24-E27 PolarHBondContact O-N 3.43Å; E25-E27 VanDerWaalsContact C-N 3.34Å; E25-E27 PolarHBondContact O-N 3.41Å; E27-I29 PolarHBondContact O-N 3.2Å; E27-L30 PolarHBondContact O-N 2.97Å; E27-A31 WeakPolarHBondContact O-CB 3.47Å; E27-A31 PolarHBondContact O-N 2.99Å |
| 28 | S | 97.6 | Very high | 97.9 | Very high | 81 Ų | 81 | 99.2 Ų | 99.2 | 57% | 0.566 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62 | -41.4 | 177 | -177.3 | 0 | 0 | 0 | 0 | 112.4 | L24 E25 A31 S32 | L24-S28 WeakPolarHBondContact O-CB 3.47Å; L24-S28 PolarHBondContact O-N 2.97Å; E25-S28 WeakPolarHBondContact O-CB 3.37Å; E25-S28 PolarHBondContact O-N 3.32Å; S28-A31 PolarHBondContact O-N 3.38Å; S28-S32 PolarHBondContact O-N 3.05Å |
| 29 | I | 98 | Very high | 97.9 | Very high | 87 Ų | 87 | 96.9 Ų | 96.9 | 45% | 0.446 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.9 | -48.9 | 177.3 | -68.1 | 166.9 | 0 | 0 | 0 | 109.9 | E25 A26 E27 A31 S32 D33 | E25-I29 HydrophobicContact CG-CD1 4.13Å; E25-I29 WeakPolarHBondContact O-CG1 3.45Å; E25-I29 PolarHBondContact O-N 3.37Å; A26-I29 PolarHBondContact O-N 2.95Å; E27-I29 PolarHBondContact O-N 3.2Å; I29-A31 VanDerWaalsContact C-N 3.3Å; I29-A31 PolarHBondContact O-N 3.17Å; I29-S32 PolarHBondContact O-N 2.9Å; I29-S32 VanDerWaalsContact O-N 3.17Å; I29-D33 PolarHBondContact O-N 3.46Å |
| 30 | L | 98.1 | Very high | 97.9 | Very high | 123 Ų | 123 | 97.4 Ų | 97.4 | 64% | 0.644 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.2 | -39.8 | 178 | -72.2 | 174.9 | 0 | 0 | 0 | 112.5 | A26 E27 F34 | A26-L30 WeakPolarHBondContact O-CG 3.38Å; A26-L30 PolarHBondContact O-N 3Å; E27-L30 PolarHBondContact O-N 2.97Å; L30-F34 WeakPolarHBondContact O-CB 3.47Å; L30-F34 PolarHBondContact O-N 3.05Å |
| 31 | A | 97.6 | Very high | 97.9 | Very high | 61 Ų | 61 | 94.2 Ų | 94.2 | 50% | 0.504 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.2 | -42.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E27 S28 I29 C35 | E27-A31 WeakPolarHBondContact O-CB 3.47Å; E27-A31 PolarHBondContact O-N 2.99Å; S28-A31 PolarHBondContact O-N 3.38Å; I29-A31 VanDerWaalsContact C-N 3.3Å; I29-A31 PolarHBondContact O-N 3.17Å; A31-C35 PolarHBondContact O-N 3.29Å; A31-C35 VanDerWaalsContact O-N 3.12Å |
| 32 | S | 97.4 | Very high | 97.9 | Very high | 61 Ų | 61 | 96.7 Ų | 96.7 | 43% | 0.427 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.7 | -45.5 | 175.6 | 173.9 | 0 | 0 | 0 | 0 | 111.9 | S28 I29 F34 C35 N36 | S28-S32 PolarHBondContact O-N 3.05Å; I29-S32 PolarHBondContact O-N 2.9Å; I29-S32 VanDerWaalsContact O-N 3.17Å; S32-F34 PolarHBondContact O-N 3.34Å; S32-C35 PolarHBondContact O-N 3.13Å; S32-N36 PolarHBondContact O-N 3.07Å; S32-N36 PolarHBondContact O-ND2 3.12Å |
| 33 | D | 98.1 | Very high | 98 | Very high | 93 Ų | 93 | 95.6 Ų | 95.6 | 50% | 0.497 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 179.7 | -75 | -6.7 | 0 | 0 | 0 | 111.6 | I29 C35 N36 F37 | I29-D33 PolarHBondContact O-N 3.46Å; D33-C35 VanDerWaalsContact C-N 3.34Å; D33-C35 PolarHBondContact O-N 2.98Å; D33-N36 PolarHBondContact O-N 3.07Å; D33-F37 WeakPolarHBondContact O-CB 3.4Å; D33-F37 PolarHBondContact O-N 3.3Å |
| 34 | F | 97.8 | Very high | 98 | Very high | 148 Ų | 148 | 93.6 Ų | 93.6 | 65% | 0.649 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60 | -43.1 | 174.9 | -174.9 | -96.5 | 0 | 0 | 0 | 112.1 | L30 S32 F37 Q38 | L30-F34 WeakPolarHBondContact O-CB 3.47Å; L30-F34 PolarHBondContact O-N 3.05Å; S32-F34 PolarHBondContact O-N 3.34Å; F34-F37 PolarHBondContact O-N 3.28Å; F34-Q38 WeakPolarHBondContact O-CB 3.39Å; F34-Q38 PolarHBondContact O-N 3.32Å |
| 35 | C | 96.3 | Very high | 98.1 | Very high | 84 Ų | 84 | 93.5 Ų | 93.5 | 57% | 0.568 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.4 | -44.8 | 176.7 | -173.6 | 0 | 0 | 0 | 0 | 112.2 | A31 S32 D33 Q38 L39 | A31-C35 PolarHBondContact O-N 3.29Å; A31-C35 VanDerWaalsContact O-N 3.12Å; S32-C35 PolarHBondContact O-N 3.13Å; D33-C35 VanDerWaalsContact C-N 3.34Å; D33-C35 PolarHBondContact O-N 2.98Å; C35-Q38 PolarHBondContact O-N 3.25Å; C35-L39 PolarHBondContact O-N 3.45Å |
| 36 | N | 97.8 | Very high | 98.1 | Very high | 86 Ų | 86 | 92.6 Ų | 92.6 | 46% | 0.46 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.7 | -46.4 | 176.3 | -86.5 | -60.6 | 0 | 0 | 0 | 111.8 | S32 D33 Q38 L39 I40 | S32-N36 PolarHBondContact O-N 3.07Å; S32-N36 PolarHBondContact O-ND2 3.12Å; D33-N36 PolarHBondContact O-N 3.07Å; N36-Q38 VanDerWaalsContact C-N 3.32Å; N36-Q38 PolarHBondContact O-N 3.44Å; N36-L39 PolarHBondContact O-N 3.5Å; N36-I40 WeakPolarHBondContact O-CG1 3.47Å; N36-I40 PolarHBondContact O-N 3.32Å |
| 37 | F | 98.3 | Very high | 98.1 | Very high | 124 Ų | 124 | 92.6 Ų | 92.6 | 54% | 0.544 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.8 | -44.8 | 176.9 | -176.8 | -96.3 | 0 | 0 | 0 | 111.7 | D33 F34 L39 I40 M41 | D33-F37 WeakPolarHBondContact O-CB 3.4Å; D33-F37 PolarHBondContact O-N 3.3Å; F34-F37 PolarHBondContact O-N 3.28Å; F37-L39 VanDerWaalsContact C-N 3.35Å; F37-L39 PolarHBondContact O-N 2.94Å; F37-I40 PolarHBondContact O-N 2.97Å; F37-M41 HydrophobicContact CD1-CG 4.07Å; F37-M41 HydrophobicContact CE1-CE 4.22Å; F37-M41 HydrophobicContact CE1-CG 3.69Å; F37-M41 HydrophobicContact CE2-CE 3.65Å; F37-M41 HydrophobicContact CZ-CE 3.48Å; F37-M41 VanDerWaalsContact CZ-CE 3.48Å; F37-M41 HydrophobicContact CZ-CG 3.95Å; F37-M41 HydrophobicContact CZ-SD 4.31Å; F37-M41 WeakPolarHBondContact O-CG 3.39Å; F37-M41 PolarHBondContact O-N 3.18Å |
| 38 | Q | 97.9 | Very high | 98.1 | Very high | 87 Ų | 87 | 90 Ų | 90 | 41% | 0.407 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.3 | -40.8 | 177.2 | -176.4 | 61.8 | 70.1 | 0 | 0 | 112.5 | F34 C35 N36 M41 N42 | F34-Q38 WeakPolarHBondContact O-CB 3.39Å; F34-Q38 PolarHBondContact O-N 3.32Å; C35-Q38 PolarHBondContact O-N 3.25Å; N36-Q38 VanDerWaalsContact C-N 3.32Å; N36-Q38 PolarHBondContact O-N 3.44Å; Q38-M41 PolarHBondContact O-N 3.28Å; Q38-N42 PolarHBondContact NE2-OD1 3.02Å; Q38-N42 WeakPolarHBondContact O-CB 3.35Å; Q38-N42 VanDerWaalsContact O-CG 3.27Å; Q38-N42 PolarHBondContact O-N 3.16Å; Q38-N42 PolarHBondContact O-ND2 3.02Å |
| 39 | L | 98.4 | Very high | 98.2 | Very high | 112 Ų | 112 | 89.4 Ų | 89.4 | 59% | 0.586 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.3 | -44.4 | 177.2 | -178.8 | 137.9 | 0 | 0 | 0 | 111.6 | C35 N36 F37 N42 A43 | C35-L39 PolarHBondContact O-N 3.45Å; N36-L39 PolarHBondContact O-N 3.5Å; F37-L39 VanDerWaalsContact C-N 3.35Å; F37-L39 PolarHBondContact O-N 2.94Å; L39-N42 PolarHBondContact O-N 3.14Å; L39-A43 WeakPolarHBondContact O-CB 3.49Å; L39-A43 PolarHBondContact O-N 3.43Å |
| 40 | I | 98.5 | Very high | 98.2 | Very high | 88 Ų | 88 | 92 Ų | 92 | 45% | 0.451 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 177.1 | -67.8 | 166.1 | 0 | 0 | 0 | 110.4 | N36 F37 N42 A43 I44 | N36-I40 WeakPolarHBondContact O-CG1 3.47Å; N36-I40 PolarHBondContact O-N 3.32Å; F37-I40 PolarHBondContact O-N 2.97Å; I40-N42 VanDerWaalsContact C-N 3.35Å; I40-N42 PolarHBondContact O-N 3.49Å; I40-A43 PolarHBondContact O-N 3.36Å; I40-I44 HydrophobicContact CG2-CD1 3.66Å; I40-I44 HydrophobicContact CG2-CG1 4.29Å; I40-I44 WeakPolarHBondContact O-CB 3.26Å; I40-I44 VanDerWaalsContact O-CG1 3.31Å; I40-I44 WeakPolarHBondContact O-CG1 3.48Å; I40-I44 PolarHBondContact O-N 2.92Å |
| 41 | M | 98.5 | Very high | 98.2 | Very high | 83 Ų | 83 | 90.8 Ų | 90.8 | 41% | 0.409 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.5 | -44.6 | 177 | -76.8 | -64.6 | 146.6 | 0 | 0 | 112.2 | F37 Q38 I44 F45 | F37-M41 HydrophobicContact CD1-CG 4.07Å; F37-M41 HydrophobicContact CE1-CE 4.22Å; F37-M41 HydrophobicContact CE1-CG 3.69Å; F37-M41 HydrophobicContact CE2-CE 3.65Å; F37-M41 HydrophobicContact CZ-CE 3.48Å; F37-M41 VanDerWaalsContact CZ-CE 3.48Å; F37-M41 HydrophobicContact CZ-CG 3.95Å; F37-M41 HydrophobicContact CZ-SD 4.31Å; F37-M41 WeakPolarHBondContact O-CG 3.39Å; F37-M41 PolarHBondContact O-N 3.18Å; Q38-M41 PolarHBondContact O-N 3.28Å; M41-I44 PolarHBondContact O-N 2.99Å; M41-F45 WeakPolarHBondContact O-CB 3.37Å; M41-F45 PolarHBondContact O-N 3.31Å |
| 42 | N | 98.6 | Very high | 98.2 | Very high | 89 Ų | 89 | 95.1 Ų | 95.1 | 48% | 0.476 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 176 | -72.2 | -12.7 | 0 | 0 | 0 | 111.9 | Q38 L39 I40 F45 Q46 | Q38-N42 PolarHBondContact NE2-OD1 3.02Å; Q38-N42 WeakPolarHBondContact O-CB 3.35Å; Q38-N42 VanDerWaalsContact O-CG 3.27Å; Q38-N42 PolarHBondContact O-N 3.16Å; Q38-N42 PolarHBondContact O-ND2 3.02Å; L39-N42 PolarHBondContact O-N 3.14Å; I40-N42 VanDerWaalsContact C-N 3.35Å; I40-N42 PolarHBondContact O-N 3.49Å; N42-F45 PolarHBondContact O-N 3.22Å; N42-Q46 WeakPolarHBondContact O-CB 3.31Å; N42-Q46 VanDerWaalsContact O-CG 3.26Å; N42-Q46 WeakPolarHBondContact O-CG 3.43Å; N42-Q46 PolarHBondContact O-N 3Å |
| 43 | A | 98.7 | Very high | 98.2 | Very high | 57 Ų | 57 | 95.8 Ų | 95.8 | 47% | 0.471 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.1 | -45 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | L39 I40 Q46 A47 | L39-A43 WeakPolarHBondContact O-CB 3.49Å; L39-A43 PolarHBondContact O-N 3.43Å; I40-A43 PolarHBondContact O-N 3.36Å; A43-Q46 PolarHBondContact O-N 3.43Å; A43-A47 WeakPolarHBondContact O-CB 3.36Å; A43-A47 PolarHBondContact O-N 3.46Å |
| 44 | I | 98.7 | Very high | 98.2 | Very high | 82 Ų | 82 | 95.7 Ų | 95.7 | 42% | 0.421 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 176.2 | -69.2 | 170.4 | 0 | 0 | 0 | 110.6 | I40 M41 Q46 A47 N48 | I40-I44 HydrophobicContact CG2-CD1 3.66Å; I40-I44 HydrophobicContact CG2-CG1 4.29Å; I40-I44 WeakPolarHBondContact O-CB 3.26Å; I40-I44 VanDerWaalsContact O-CG1 3.31Å; I40-I44 WeakPolarHBondContact O-CG1 3.48Å; I40-I44 PolarHBondContact O-N 2.92Å; M41-I44 PolarHBondContact O-N 2.99Å; I44-Q46 PolarHBondContact O-N 3.42Å; I44-A47 PolarHBondContact O-N 3.31Å; I44-N48 WeakPolarHBondContact O-CB 3.13Å; I44-N48 PolarHBondContact O-N 2.97Å; I44-N48 PolarHBondContact O-ND2 3.47Å |
| 45 | F | 98.7 | Very high | 98.2 | Very high | 113 Ų | 113 | 95.8 Ų | 95.8 | 50% | 0.496 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.8 | -48.2 | 176.9 | 177.5 | -101.7 | 0 | 0 | 0 | 111.6 | M41 N42 A47 N48 L49 | M41-F45 WeakPolarHBondContact O-CB 3.37Å; M41-F45 PolarHBondContact O-N 3.31Å; N42-F45 PolarHBondContact O-N 3.22Å; F45-A47 PolarHBondContact O-N 3.01Å; F45-N48 PolarHBondContact O-N 2.93Å; F45-L49 HydrophobicContact CD1-CD1 4.08Å; F45-L49 HydrophobicContact CE1-CD1 3.48Å; F45-L49 VanDerWaalsContact CE1-CD1 3.48Å; F45-L49 HydrophobicContact CE1-CG 4.15Å; F45-L49 HydrophobicContact CZ-CD1 3.85Å; F45-L49 HydrophobicContact CZ-CD2 4.31Å; F45-L49 HydrophobicContact CZ-CG 4.21Å; F45-L49 WeakPolarHBondContact O-CG 3.45Å; F45-L49 PolarHBondContact O-N 3.39Å |
| 46 | Q | 98.7 | Very high | 98.2 | Very high | 108 Ų | 108 | 98 Ų | 98 | 51% | 0.505 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.1 | -39.8 | 177.5 | -69.5 | -69.5 | 4.7 | 0 | 0 | 112.5 | N42 A43 I44 N48 L49 K50 | N42-Q46 WeakPolarHBondContact O-CB 3.31Å; N42-Q46 VanDerWaalsContact O-CG 3.26Å; N42-Q46 WeakPolarHBondContact O-CG 3.43Å; N42-Q46 PolarHBondContact O-N 3Å; A43-Q46 PolarHBondContact O-N 3.43Å; I44-Q46 PolarHBondContact O-N 3.42Å; Q46-N48 VanDerWaalsContact C-N 3.33Å; Q46-N48 PolarHBondContact O-N 3.38Å; Q46-L49 PolarHBondContact O-N 2.93Å; Q46-K50 WeakPolarHBondContact O-CG 3.49Å; Q46-K50 PolarHBondContact O-N 3.46Å |
| 47 | A | 98.7 | Very high | 98.1 | Very high | 46 Ų | 46 | 96.7 Ų | 96.7 | 38% | 0.38 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.7 | -43.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | A43 I44 F45 L49 K50 L51 | A43-A47 WeakPolarHBondContact O-CB 3.36Å; A43-A47 PolarHBondContact O-N 3.46Å; I44-A47 PolarHBondContact O-N 3.31Å; F45-A47 PolarHBondContact O-N 3.01Å; A47-L49 PolarHBondContact O-N 2.88Å; A47-K50 PolarHBondContact O-N 2.87Å; A47-L51 WeakPolarHBondContact O-CG 3.28Å; A47-L51 PolarHBondContact O-N 2.81Å |
| 48 | N | 98.6 | Very high | 97.9 | Very high | 77 Ų | 77 | 96.2 Ų | 96.2 | 41% | 0.412 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.4 | -35.3 | 177.3 | -77.7 | -37.7 | 0 | 0 | 0 | 113.2 | I44 F45 Q46 R52 | I44-N48 WeakPolarHBondContact O-CB 3.13Å; I44-N48 PolarHBondContact O-N 2.97Å; I44-N48 PolarHBondContact O-ND2 3.47Å; F45-N48 PolarHBondContact O-N 2.93Å; Q46-N48 VanDerWaalsContact C-N 3.33Å; Q46-N48 PolarHBondContact O-N 3.38Å; N48-R52 WeakPolarHBondContact O-CG 3.49Å; N48-R52 PolarHBondContact O-N 2.97Å; N48-R52 VanDerWaalsContact O-N 3.12Å; N48-R52 PolarHBondContact O-NE 2.73Å |
| 49 | L | 98.6 | Very high | 97.9 | Very high | 68 Ų | 68 | 98.4 Ų | 98.4 | 36% | 0.356 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.9 | -44.4 | 172 | -68.5 | -178.2 | 0 | 0 | 0 | 111.3 | F45 Q46 A47 R52 S53 | F45-L49 HydrophobicContact CD1-CD1 4.08Å; F45-L49 HydrophobicContact CE1-CD1 3.48Å; F45-L49 VanDerWaalsContact CE1-CD1 3.48Å; F45-L49 HydrophobicContact CE1-CG 4.15Å; F45-L49 HydrophobicContact CZ-CD1 3.85Å; F45-L49 HydrophobicContact CZ-CD2 4.31Å; F45-L49 HydrophobicContact CZ-CG 4.21Å; F45-L49 WeakPolarHBondContact O-CG 3.45Å; F45-L49 PolarHBondContact O-N 3.39Å; Q46-L49 PolarHBondContact O-N 2.93Å; A47-L49 PolarHBondContact O-N 2.88Å; L49-R52 PolarHBondContact O-N 3.08Å; L49-S53 PolarHBondContact O-N 3.17Å |
| 50 | K | 98.2 | Very high | 97.6 | Very high | 143 Ų | 143 | 101.9 Ų | 101.9 | 62% | 0.622 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.7 | -44.8 | 176.1 | -71.9 | 179.4 | 179.1 | -179.6 | 0 | 112.1 | Q46 A47 R52 S53 I54 | Q46-K50 WeakPolarHBondContact O-CG 3.49Å; Q46-K50 PolarHBondContact O-N 3.46Å; A47-K50 PolarHBondContact O-N 2.87Å; K50-R52 VanDerWaalsContact C-N 3.32Å; K50-R52 PolarHBondContact O-N 3.26Å; K50-S53 WeakPolarHBondContact O-CB 3.45Å; K50-S53 PolarHBondContact O-N 2.77Å; K50-S53 VanDerWaalsContact O-N 3.15Å; K50-I54 VanDerWaalsContact O-CG1 3.32Å; K50-I54 WeakPolarHBondContact O-CG1 3.12Å; K50-I54 PolarHBondContact O-N 3.49Å |
| 51 | L | 98.4 | Very high | 97.3 | Very high | 96 Ų | 96 | 103.1 Ų | 103.1 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.7 | -40.3 | 176.9 | -73.2 | 175.2 | 0 | 0 | 0 | 112.2 | A47 I54 K55 | A47-L51 WeakPolarHBondContact O-CG 3.28Å; A47-L51 PolarHBondContact O-N 2.81Å; L51-I54 PolarHBondContact O-N 3.21Å; L51-K55 WeakPolarHBondContact O-CG 3.47Å; L51-K55 PolarHBondContact O-N 2.91Å |
| 52 | R | 97.9 | Very high | 97.1 | Very high | 153 Ų | 153 | 103.7 Ų | 103.7 | 58% | 0.577 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.3 | -43.6 | 173.3 | -78.1 | -174.7 | -100.9 | 176 | -9.5 | 111.9 | N48 L49 K50 I54 K55 Q56 | N48-R52 WeakPolarHBondContact O-CG 3.49Å; N48-R52 PolarHBondContact O-N 2.97Å; N48-R52 VanDerWaalsContact O-N 3.12Å; N48-R52 PolarHBondContact O-NE 2.73Å; L49-R52 PolarHBondContact O-N 3.08Å; K50-R52 VanDerWaalsContact C-N 3.32Å; K50-R52 PolarHBondContact O-N 3.26Å; R52-I54 PolarHBondContact O-N 3.01Å; R52-K55 PolarHBondContact O-N 2.76Å; R52-Q56 WeakPolarHBondContact O-CB 3.42Å; R52-Q56 PolarHBondContact O-N 3.01Å |
| 53 | S | 97.1 | Very high | 96.9 | Very high | 74 Ų | 74 | 101.9 Ų | 101.9 | 52% | 0.517 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.2 | -40.4 | 176.3 | -173.6 | 0 | 0 | 0 | 0 | 112.5 | L49 K50 Q56 A57 | L49-S53 PolarHBondContact O-N 3.17Å; K50-S53 WeakPolarHBondContact O-CB 3.45Å; K50-S53 PolarHBondContact O-N 2.77Å; K50-S53 VanDerWaalsContact O-N 3.15Å; S53-Q56 PolarHBondContact O-N 3.32Å; S53-A57 PolarHBondContact O-N 2.82Å |
| 54 | I | 97.5 | Very high | 96.7 | Very high | 92 Ų | 92 | 102.6 Ų | 102.6 | 47% | 0.472 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.1 | -50.2 | 176.9 | -67.8 | 164.4 | 0 | 0 | 0 | 109.8 | K50 L51 R52 Q56 A57 D58 | K50-I54 VanDerWaalsContact O-CG1 3.32Å; K50-I54 WeakPolarHBondContact O-CG1 3.12Å; K50-I54 PolarHBondContact O-N 3.49Å; L51-I54 PolarHBondContact O-N 3.21Å; R52-I54 PolarHBondContact O-N 3.01Å; I54-Q56 PolarHBondContact O-N 3.04Å; I54-A57 WeakPolarHBondContact O-CA 3.46Å; I54-A57 WeakPolarHBondContact O-CB 3.39Å; I54-A57 PolarHBondContact O-N 3.2Å; I54-D58 PolarHBondContact O-N 3.18Å |
| 55 | K | 97.5 | Very high | 96.6 | Very high | 150 Ų | 150 | 104.5 Ų | 104.5 | 65% | 0.652 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -55.3 | -37.9 | 176 | -74 | -179.5 | 178.9 | -175.2 | 0 | 112.3 | L51 R52 L59 | L51-K55 WeakPolarHBondContact O-CG 3.47Å; L51-K55 PolarHBondContact O-N 2.91Å; R52-K55 PolarHBondContact O-N 2.76Å; K55-L59 WeakPolarHBondContact O-CG 3.35Å; K55-L59 PolarHBondContact O-N 3.45Å |
| 56 | Q | 96.6 | Very high | 96.4 | Very high | 129 Ų | 129 | 101.7 Ų | 101.7 | 60% | 0.603 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -69.5 | -36.6 | 175.7 | -177 | 176.5 | -5.7 | 0 | 0 | 112.8 | R52 S53 I54 L59 | R52-Q56 WeakPolarHBondContact O-CB 3.42Å; R52-Q56 PolarHBondContact O-N 3.01Å; S53-Q56 PolarHBondContact O-N 3.32Å; I54-Q56 PolarHBondContact O-N 3.04Å; Q56-L59 PolarHBondContact O-N 3.12Å |
| 57 | A | 95.2 | Very high | 96.2 | Very high | 59 Ų | 59 | 101.5 Ų | 101.5 | 49% | 0.488 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.4 | -37.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S53 I54 L59 R60 | S53-A57 PolarHBondContact O-N 2.82Å; I54-A57 WeakPolarHBondContact O-CA 3.46Å; I54-A57 WeakPolarHBondContact O-CB 3.39Å; I54-A57 PolarHBondContact O-N 3.2Å; A57-L59 PolarHBondContact O-N 3.21Å; A57-R60 CarbonylContact O-C 3.17Å; A57-R60 PolarHBondContact O-N 3.03Å |
| 58 | D | 95.9 | Very high | 96 | Very high | 114 Ų | 114 | 104.2 Ų | 104.2 | 61% | 0.61 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.3 | -27.6 | 177.1 | -66.7 | -22.3 | 0 | 0 | 0 | 112.6 | I54 R60 | I54-D58 PolarHBondContact O-N 3.18Å; D58-R60 PolarHBondContact O-N 3.48Å |
| 59 | L | 96.3 | Very high | 95.8 | Very high | 134 Ų | 134 | 107.4 Ų | 107.4 | 70% | 0.702 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -19.3 | 174.1 | -64.2 | 173.6 | 0 | 0 | 0 | 113.2 | K55 Q56 A57 | K55-L59 WeakPolarHBondContact O-CG 3.35Å; K55-L59 PolarHBondContact O-N 3.45Å; Q56-L59 PolarHBondContact O-N 3.12Å; A57-L59 PolarHBondContact O-N 3.21Å |
| 60 | R | 93.2 | Very high | 95.5 | Very high | 184 Ų | 184 | 109.9 Ų | 109.9 | 69% | 0.694 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -140.8 | 71.1 | -177.6 | -67.4 | -172.2 | 179.6 | 80 | 0.2 | 110.3 | A57 D58 V62 | A57-R60 CarbonylContact O-C 3.17Å; A57-R60 PolarHBondContact O-N 3.03Å; D58-R60 PolarHBondContact O-N 3.48Å; R60-V62 PolarHBondContact O-N 3.25Å |
| 61 | P | 92.8 | Very high | 95.2 | Very high | 115 Ų | 115 | 105.5 Ų | 105.5 | 75% | 0.747 | 55% | 0.554 | S | S | * | * | trans | -63.1 | 133.2 | 177.5 | 27.6 | -33.8 | 0 | 0 | 0 | 109.8 | ||||
| 62 | V | 93.1 | Very high | 94.9 | Very high | 94 Ų | 94 | 107.2 Ų | 107.2 | 57% | 0.57 | 56% | 0.559 | S | S | * | * | trans | -105.9 | 129.3 | 173.1 | -172.1 | 0 | 0 | 0 | 0 | 107.8 | R60 D66 L67 | R60-V62 PolarHBondContact O-N 3.25Å; V62-D66 HydrophobicContact CG1-CB 4.48Å; V62-L67 HydrophobicContact CB-CD2 4.39Å; V62-L67 HydrophobicContact CB-CG 4.37Å; V62-L67 HydrophobicContact CG1-CD1 4.47Å; V62-L67 HydrophobicContact CG1-CD2 3.74Å; V62-L67 HydrophobicContact CG1-CG 3.73Å | ||
| 63 | S | 94 | Very high | 94.5 | Very high | 51 Ų | 51 | 107 Ų | 107 | 36% | 0.357 | 56% | 0.558 | S | S | . | * | trans | -66.2 | 143.8 | 177.6 | 79.4 | 0 | 0 | 0 | 0 | 110.7 | D65 D66 L67 | S63-D65 PolarHBondContact O-N 2.93Å; S63-D66 PolarHBondContact O-N 2.88Å; S63-D66 VanDerWaalsContact OG-CB 3.24Å; S63-D66 WeakPolarHBondContact OG-CB 3.5Å; S63-D66 PolarHBondContact OG-N 3.31Å; S63-D66 VanDerWaalsContact OG-N 3.08Å; S63-D66 PolarHBondContact OG-OD2 3.11Å; S63-L67 PolarHBondContact O-N 3.49Å; S63-L67 VanDerWaalsContact O-N 3.11Å | ||
| 64 | A | 95 | Very high | 93.9 | Very high | 72 Ų | 72 | 108.5 Ų | 108.5 | 60% | 0.595 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -61.4 | -36.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | D66 L67 V68 | A64-D66 PolarHBondContact O-N 3.33Å; A64-L67 PolarHBondContact O-N 3.34Å; A64-V68 WeakPolarHBondContact O-CG2 3.07Å; A64-V68 PolarHBondContact O-N 3.37Å |
| 65 | D | 96.3 | Very high | 93.3 | Very high | 123 Ų | 123 | 108.3 Ų | 108.3 | 66% | 0.658 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63 | -41.2 | 176.9 | -68.8 | -48.2 | 0 | 0 | 0 | 112.3 | S63 V68 R69 | S63-D65 PolarHBondContact O-N 2.93Å; D65-V68 PolarHBondContact O-N 3.27Å; D65-R69 VanDerWaalsContact O-CB 3.27Å; D65-R69 WeakPolarHBondContact O-CB 3.24Å; D65-R69 PolarHBondContact O-N 3.45Å |
| 66 | D | 95.6 | Very high | 92.5 | Very high | 53 Ų | 53 | 104.8 Ų | 104.8 | 28% | 0.283 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.7 | -43 | 175.9 | -71.1 | -37.8 | 0 | 0 | 0 | 111.1 | V62 S63 A64 V68 R69 Y70 | V62-D66 HydrophobicContact CG1-CB 4.48Å; S63-D66 PolarHBondContact O-N 2.88Å; S63-D66 VanDerWaalsContact OG-CB 3.24Å; S63-D66 WeakPolarHBondContact OG-CB 3.5Å; S63-D66 PolarHBondContact OG-N 3.31Å; S63-D66 VanDerWaalsContact OG-N 3.08Å; S63-D66 PolarHBondContact OG-OD2 3.11Å; A64-D66 PolarHBondContact O-N 3.33Å; D66-V68 VanDerWaalsContact C-N 3.32Å; D66-V68 PolarHBondContact O-N 3.17Å; D66-R69 PolarHBondContact O-N 3.24Å; D66-R69 IonicContact OD1-CZ 3.91Å; D66-R69 IonicContact OD1-NH1 3.28Å; D66-R69 PolarHBondContact OD1-NH1 3.27Å; D66-Y70 HydrophobicContact CB-CD2 4.13Å; D66-Y70 HydrophobicContact CB-CE2 3.99Å; D66-Y70 WeakPolarHBondContact O-CB 3.37Å; D66-Y70 WeakPolarHBondContact O-CD2 3.35Å; D66-Y70 PolarHBondContact O-N 3.38Å |
| 67 | L | 93.9 | Very high | 91.4 | Very high | 104 Ų | 104 | 102 Ų | 102 | 55% | 0.545 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -56.2 | -46.7 | 175.4 | -71 | 173.4 | 0 | 0 | 0 | 111.5 | V62 S63 A64 A71 | V62-L67 HydrophobicContact CB-CD2 4.39Å; V62-L67 HydrophobicContact CB-CG 4.37Å; V62-L67 HydrophobicContact CG1-CD1 4.47Å; V62-L67 HydrophobicContact CG1-CD2 3.74Å; V62-L67 HydrophobicContact CG1-CG 3.73Å; S63-L67 PolarHBondContact O-N 3.49Å; S63-L67 VanDerWaalsContact O-N 3.11Å; A64-L67 PolarHBondContact O-N 3.34Å; L67-A71 WeakPolarHBondContact O-CB 3.47Å; L67-A71 PolarHBondContact O-N 2.97Å |
| 68 | V | 94.5 | Very high | 89.9 | Confident | 103 Ų | 103 | 101.7 Ų | 101.7 | 62% | 0.624 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.4 | -45.9 | 178.1 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | A64 D65 D66 Y70 A71 H72 | A64-V68 WeakPolarHBondContact O-CG2 3.07Å; A64-V68 PolarHBondContact O-N 3.37Å; D65-V68 PolarHBondContact O-N 3.27Å; D66-V68 VanDerWaalsContact C-N 3.32Å; D66-V68 PolarHBondContact O-N 3.17Å; V68-Y70 PolarHBondContact O-N 3.15Å; V68-A71 PolarHBondContact O-N 3.42Å; V68-H72 WeakPolarHBondContact O-CB 3.37Å; V68-H72 PolarHBondContact O-N 2.94Å |
| 69 | R | 94 | Very high | 88.1 | Confident | 144 Ų | 144 | 98.4 Ų | 98.4 | 54% | 0.543 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.8 | -46.4 | 178.8 | -173.4 | -173.2 | -61.5 | 154.9 | 2.6 | 111.4 | D65 D66 R73 | D65-R69 VanDerWaalsContact O-CB 3.27Å; D65-R69 WeakPolarHBondContact O-CB 3.24Å; D65-R69 PolarHBondContact O-N 3.45Å; D66-R69 PolarHBondContact O-N 3.24Å; D66-R69 IonicContact OD1-CZ 3.91Å; D66-R69 IonicContact OD1-NH1 3.28Å; D66-R69 PolarHBondContact OD1-NH1 3.27Å; R69-R73 WeakPolarHBondContact O-CB 3.48Å; R69-R73 VanDerWaalsContact O-CG 3.25Å; R69-R73 WeakPolarHBondContact O-CG 3.43Å; R69-R73 PolarHBondContact O-N 2.99Å |
| 70 | Y | 93.1 | Very high | 86.4 | Confident | 120 Ų | 120 | 98.9 Ų | 98.9 | 47% | 0.471 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -70.9 | -41 | 178.8 | -71.3 | -61.7 | 0 | 0 | 0 | 112.1 | D66 V68 H72 R73 I74 | D66-Y70 HydrophobicContact CB-CD2 4.13Å; D66-Y70 HydrophobicContact CB-CE2 3.99Å; D66-Y70 WeakPolarHBondContact O-CB 3.37Å; D66-Y70 WeakPolarHBondContact O-CD2 3.35Å; D66-Y70 PolarHBondContact O-N 3.38Å; V68-Y70 PolarHBondContact O-N 3.15Å; Y70-H72 VanDerWaalsContact C-N 3.32Å; Y70-H72 PolarHBondContact O-N 3.15Å; Y70-R73 PolarHBondContact O-N 3.41Å; Y70-I74 WeakPolarHBondContact O-CB 3.32Å; Y70-I74 VanDerWaalsContact O-CG1 3.25Å; Y70-I74 WeakPolarHBondContact O-CG1 3.33Å; Y70-I74 PolarHBondContact O-N 2.99Å |
| 71 | A | 91.5 | Very high | 85.1 | Confident | 51 Ų | 51 | 94.9 Ų | 94.9 | 42% | 0.421 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.8 | -43.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L67 V68 I74 S75 | L67-A71 WeakPolarHBondContact O-CB 3.47Å; L67-A71 PolarHBondContact O-N 2.97Å; V68-A71 PolarHBondContact O-N 3.42Å; A71-I74 PolarHBondContact O-N 3.44Å; A71-S75 VanDerWaalsContact O-CB 3.31Å; A71-S75 WeakPolarHBondContact O-CB 3.49Å; A71-S75 PolarHBondContact O-N 3.49Å; A71-S75 PolarHBondContact O-OG 3.49Å |
| 72 | H | 92.3 | Very high | 83.8 | Confident | 133 Ų | 133 | 92.9 Ų | 92.9 | 62% | 0.616 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.9 | -47.3 | 173.9 | 178.8 | -89.5 | 0 | 0 | 0 | 111.5 | V68 Y70 I74 S75 A76 | V68-H72 WeakPolarHBondContact O-CB 3.37Å; V68-H72 PolarHBondContact O-N 2.94Å; Y70-H72 VanDerWaalsContact C-N 3.32Å; Y70-H72 PolarHBondContact O-N 3.15Å; H72-I74 VanDerWaalsContact C-N 3.34Å; H72-I74 PolarHBondContact O-N 3.37Å; H72-S75 PolarHBondContact O-N 2.85Å; H72-A76 VanDerWaalsContact O-CB 3.28Å; H72-A76 WeakPolarHBondContact O-CB 3.28Å; H72-A76 PolarHBondContact O-N 2.92Å |
| 73 | R | 89.4 | Confident | 82.5 | Confident | 147 Ų | 147 | 90.7 Ų | 90.7 | 56% | 0.555 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -58.2 | -44.7 | 176.7 | -76.4 | 174.9 | 65.7 | -172.6 | 1.2 | 112.3 | R69 Y70 A76 A77 | R69-R73 WeakPolarHBondContact O-CB 3.48Å; R69-R73 VanDerWaalsContact O-CG 3.25Å; R69-R73 WeakPolarHBondContact O-CG 3.43Å; R69-R73 PolarHBondContact O-N 2.99Å; Y70-R73 PolarHBondContact O-N 3.41Å; R73-A76 PolarHBondContact O-N 3.31Å; R73-A77 WeakPolarHBondContact O-CB 3.42Å; R73-A77 PolarHBondContact O-N 3.13Å |
| 74 | I | 84.2 | Confident | 81.3 | Confident | 106 Ų | 106 | 97 Ų | 97 | 54% | 0.544 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.3 | -44.4 | 178.2 | -68.3 | 165 | 0 | 0 | 0 | 110.1 | Y70 A71 H72 A76 A77 N78 | Y70-I74 WeakPolarHBondContact O-CB 3.32Å; Y70-I74 VanDerWaalsContact O-CG1 3.25Å; Y70-I74 WeakPolarHBondContact O-CG1 3.33Å; Y70-I74 PolarHBondContact O-N 2.99Å; A71-I74 PolarHBondContact O-N 3.44Å; H72-I74 VanDerWaalsContact C-N 3.34Å; H72-I74 PolarHBondContact O-N 3.37Å; I74-A76 VanDerWaalsContact C-N 3.33Å; I74-A76 PolarHBondContact O-N 2.92Å; I74-A77 PolarHBondContact O-N 3.48Å; I74-N78 WeakPolarHBondContact O-CB 3.46Å; I74-N78 PolarHBondContact O-N 2.96Å; I74-N78 VanDerWaalsContact O-N 3.08Å; I74-N78 PolarHBondContact O-ND2 3Å |
| 75 | S | 85.1 | Confident | 80.3 | Confident | 88 Ų | 88 | 98.8 Ų | 98.8 | 62% | 0.615 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.9 | -33.8 | 179.4 | -54.8 | 0 | 0 | 0 | 0 | 112.5 | A71 H72 | A71-S75 VanDerWaalsContact O-CB 3.31Å; A71-S75 WeakPolarHBondContact O-CB 3.49Å; A71-S75 PolarHBondContact O-N 3.49Å; A71-S75 PolarHBondContact O-OG 3.49Å; H72-S75 PolarHBondContact O-N 2.85Å |
| 76 | A | 81.6 | Confident | 79.2 | Confident | 76 Ų | 76 | 94.6 Ų | 94.6 | 63% | 0.628 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -77.6 | -32.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | H72 R73 I74 | H72-A76 VanDerWaalsContact O-CB 3.28Å; H72-A76 WeakPolarHBondContact O-CB 3.28Å; H72-A76 PolarHBondContact O-N 2.92Å; R73-A76 PolarHBondContact O-N 3.31Å; I74-A76 VanDerWaalsContact C-N 3.33Å; I74-A76 PolarHBondContact O-N 2.92Å |
| 77 | A | 72.3 | Confident | 78 | Confident | 71 Ų | 71 | 99.3 Ų | 99.3 | 59% | 0.587 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -91.2 | -9.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | R73 I74 | R73-A77 WeakPolarHBondContact O-CB 3.42Å; R73-A77 PolarHBondContact O-N 3.13Å; I74-A77 PolarHBondContact O-N 3.48Å |
| 78 | N | 64.8 | Low | 76.8 | Confident | 52 Ų | 52 | 102.2 Ų | 102.2 | 28% | 0.278 | 56% | 0.564 | S | S | . | * | trans | -137.7 | 130.3 | -175 | -55.1 | -76.4 | 0 | 0 | 0 | 111.6 | I74 V80 P94 | I74-N78 WeakPolarHBondContact O-CB 3.46Å; I74-N78 PolarHBondContact O-N 2.96Å; I74-N78 VanDerWaalsContact O-N 3.08Å; I74-N78 PolarHBondContact O-ND2 3Å; N78-V80 PolarHBondContact O-N 3.21Å; N78-P94 HydrophobicContact CB-CB 4.43Å; N78-P94 WeakPolarHBondContact OD1-CA 3.46Å; N78-P94 WeakPolarHBondContact OD1-CB 3.44Å | ||
| 79 | S | 57.5 | Low | 75.6 | Confident | 46 Ų | 46 | 99.9 Ų | 99.9 | 32% | 0.322 | 56% | 0.561 | S | S | . | * | trans | -66.2 | 128.5 | 158.8 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | T81 | S79-T81 PolarHBondContact O-N 2.87Å; S79-T81 PolarHBondContact OG-O 2.88Å | ||
| 80 | V | 60.7 | Low | 74.5 | Confident | 143 Ų | 143 | 95 Ų | 95 | 87% | 0.867 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -60.9 | -10.1 | 179.8 | -164.4 | 0 | 0 | 0 | 0 | 111.9 | N78 | N78-V80 PolarHBondContact O-N 3.21Š|
| 81 | T | 65.6 | Low | 73.3 | Confident | 101 Ų | 101 | 94.6 Ų | 94.6 | 62% | 0.62 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -149 | 136 | 176.2 | 51.5 | 0 | 0 | 0 | 0 | 111 | S79 P83 | S79-T81 PolarHBondContact O-N 2.87Å; S79-T81 PolarHBondContact OG-O 2.88Å; T81-P83 WeakPolarHBondContact O-CD 3.46Å |
| 82 | A | 64.6 | Low | 72.2 | Confident | 73 Ų | 73 | 97.7 Ų | 97.7 | 60% | 0.603 | 56% | 0.563 | S | S | * | * | trans | -66.2 | 110.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111 | W86 | A82-W86 VanDerWaalsContact CA-CH2 3.46Å; A82-W86 HydrophobicContact CB-CD2 4.22Å; A82-W86 HydrophobicContact CB-CE3 3.33Å; A82-W86 HydrophobicContact CB-CH2 3.94Å; A82-W86 HydrophobicContact CB-CZ3 3.18Å | ||
| 83 | P | 67.2 | Low | 71.2 | Confident | 48 Ų | 48 | 95.6 Ų | 95.6 | 31% | 0.312 | 55% | 0.55 | S | S | . | * | trans | -58.7 | 144.5 | 169 | -16.6 | 32.5 | 0 | 0 | 0 | 110.1 | T81 T85 W86 | T81-P83 WeakPolarHBondContact O-CD 3.46Å; P83-T85 PolarHBondContact O-N 3.08Å; P83-W86 HydrophobicContact CG-CD2 4.49Å; P83-W86 HydrophobicContact CG-CZ2 4.3Å; P83-W86 PolarHBondContact O-N 2.9Å | ||
| 84 | L | 68.5 | Low | 70.3 | Confident | 184 Ų | 184 | 91 Ų | 91 | 96% | 0.963 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -16 | 179.2 | -171.1 | 61.5 | 0 | 0 | 0 | 113 | ||
| 85 | T | 72.8 | Confident | 69.6 | Low | 108 Ų | 108 | 93.3 Ų | 93.3 | 66% | 0.663 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -1.6 | -176.1 | 54 | 0 | 0 | 0 | 0 | 114.6 | P83 Q87 | P83-T85 PolarHBondContact O-N 3.08Å; T85-Q87 WeakPolarHBondContact O-CG 3.08Å; T85-Q87 PolarHBondContact O-N 3.25Å |
| 86 | W | 75.2 | Confident | 69 | Low | 36 Ų | 36 | 93.1 Ų | 93.1 | 14% | 0.136 | 54% | 0.542 | C | S | . | . | trans | -58 | 113.9 | 178.8 | -84.2 | -6.3 | 0 | 0 | 0 | 110.5 | A82 P83 E92 R93 P94 | A82-W86 VanDerWaalsContact CA-CH2 3.46Å; A82-W86 HydrophobicContact CB-CD2 4.22Å; A82-W86 HydrophobicContact CB-CE3 3.33Å; A82-W86 HydrophobicContact CB-CH2 3.94Å; A82-W86 HydrophobicContact CB-CZ3 3.18Å; P83-W86 HydrophobicContact CG-CD2 4.49Å; P83-W86 HydrophobicContact CG-CZ2 4.3Å; P83-W86 PolarHBondContact O-N 2.9Å; W86-E92 HydrophobicContact CZ2-CB 4.13Å; W86-E92 WeakPolarHBondContact CZ2-O 3.43Å; W86-R93 HydrophobicContact CB-CG 4.45Å; W86-R93 HydrophobicContact CD2-CG 3.96Å; W86-R93 HydrophobicContact CE3-CG 3.99Å; W86-R93 HydrophobicContact CG-CG 4.2Å; W86-R93 PolarHBondContact O-NH2 3.38Å; W86-P94 HydrophobicContact CH2-CG 4.21Å; W86-P94 HydrophobicContact CZ3-CG 4.06Å | ||
| 87 | Q | 69.4 | Low | 68.8 | Low | 151 Ų | 151 | 90.8 Ų | 90.8 | 71% | 0.706 | 52% | 0.52 | S | S | * | . | trans | -101 | 162.1 | 175.4 | -63.6 | -137.6 | -25.1 | 0 | 0 | 111 | T85 G89 D90 R93 | T85-Q87 WeakPolarHBondContact O-CG 3.08Å; T85-Q87 PolarHBondContact O-N 3.25Å; Q87-G89 PolarHBondContact O-N 2.91Å; Q87-D90 VanDerWaalsContact O-CB 3.28Å; Q87-D90 WeakPolarHBondContact O-CB 3.17Å; Q87-D90 PolarHBondContact O-N 3.48Å; Q87-D90 VanDerWaalsContact O-N 3.08Å; Q87-R93 VanDerWaalsContact O-CZ 3.25Å; Q87-R93 PolarHBondContact O-NE 3.39Å; Q87-R93 PolarHBondContact O-NH2 3.11Å | ||
| 88 | Q | 68.6 | Low | 69.1 | Low | 165 Ų | 165 | 91.9 Ų | 91.9 | 77% | 0.771 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 126.8 | 176.8 | -172.8 | 175.5 | 7.9 | 0 | 0 | 108.8 | D98 | Q88-D98 PolarHBondContact NE2-OD2 2.76Š|
| 89 | G | 69.7 | Low | 69.7 | Low | 55 Ų | 55 | 95.7 Ų | 95.7 | 57% | 0.567 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.3 | 1.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q87 P91 | Q87-G89 PolarHBondContact O-N 2.91Å; G89-P91 WeakPolarHBondContact O-CD 3.45Å |
| 90 | D | 70.1 | Confident | 70.9 | Confident | 42 Ų | 42 | 98.1 Ų | 98.1 | 23% | 0.225 | 54% | 0.543 | C | S | . | . | trans | -69.7 | 120.4 | 173.3 | -164.9 | -31.3 | 0 | 0 | 0 | 110.9 | Q87 E92 R93 | Q87-D90 VanDerWaalsContact O-CB 3.28Å; Q87-D90 WeakPolarHBondContact O-CB 3.17Å; Q87-D90 PolarHBondContact O-N 3.48Å; Q87-D90 VanDerWaalsContact O-N 3.08Å; D90-E92 PolarHBondContact O-N 3.32Å; D90-E92 PolarHBondContact OD1-N 3.29Å; D90-R93 HydrophobicContact CB-CG 4.27Å; D90-R93 WeakPolarHBondContact O-CG 3.43Å; D90-R93 PolarHBondContact O-N 3.21Å | ||
| 91 | P | 68.9 | Low | 72 | Confident | 110 Ų | 110 | 97 Ų | 97 | 71% | 0.714 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -16.5 | -176 | 27.5 | -35.9 | 0 | 0 | 0 | 114 | G89 R93 | G89-P91 WeakPolarHBondContact O-CD 3.45Å; P91-R93 PolarHBondContact O-N 2.84Å |
| 92 | E | 67.1 | Low | 72.8 | Confident | 116 Ų | 116 | 100.9 Ų | 100.9 | 54% | 0.542 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -1.5 | 178.5 | -68 | -160.6 | 159.9 | 0 | 0 | 113.9 | W86 D90 | W86-E92 HydrophobicContact CZ2-CB 4.13Å; W86-E92 WeakPolarHBondContact CZ2-O 3.43Å; D90-E92 PolarHBondContact O-N 3.32Å; D90-E92 PolarHBondContact OD1-N 3.29Å |
| 93 | R | 71.2 | Confident | 73.8 | Confident | 90 Ų | 90 | 100.5 Ų | 100.5 | 34% | 0.34 | 53% | 0.525 | S | S | . | . | trans | -66.6 | 133.4 | 178.9 | -72.8 | 174 | 173 | -103 | -0 | 110.7 | W86 Q87 D90 P91 F95 | W86-R93 HydrophobicContact CB-CG 4.45Å; W86-R93 HydrophobicContact CD2-CG 3.96Å; W86-R93 HydrophobicContact CE3-CG 3.99Å; W86-R93 HydrophobicContact CG-CG 4.2Å; W86-R93 PolarHBondContact O-NH2 3.38Å; Q87-R93 VanDerWaalsContact O-CZ 3.25Å; Q87-R93 PolarHBondContact O-NE 3.39Å; Q87-R93 PolarHBondContact O-NH2 3.11Å; D90-R93 HydrophobicContact CB-CG 4.27Å; D90-R93 WeakPolarHBondContact O-CG 3.43Å; D90-R93 PolarHBondContact O-N 3.21Å; P91-R93 PolarHBondContact O-N 2.84Å; R93-F95 PolarHBondContact O-N 3.03Å; R93-F95 VanDerWaalsContact O-N 3.11Å | ||
| 94 | P | 71.4 | Confident | 74.6 | Confident | 51 Ų | 51 | 99.5 Ų | 99.5 | 33% | 0.331 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -70.5 | -8.6 | -177.9 | 27.8 | -35.9 | 0 | 0 | 0 | 113.8 | N78 W86 | N78-P94 HydrophobicContact CB-CB 4.43Å; N78-P94 WeakPolarHBondContact OD1-CA 3.46Å; N78-P94 WeakPolarHBondContact OD1-CB 3.44Å; W86-P94 HydrophobicContact CH2-CG 4.21Å; W86-P94 HydrophobicContact CZ3-CG 4.06Å |
| 95 | F | 69.9 | Low | 75.6 | Confident | 153 Ų | 153 | 99.5 Ų | 99.5 | 67% | 0.671 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -108.6 | 139.8 | 177.9 | -56.6 | -70.8 | 0 | 0 | 0 | 109.7 | R93 T97 | R93-F95 PolarHBondContact O-N 3.03Å; R93-F95 VanDerWaalsContact O-N 3.11Å; F95-T97 PolarHBondContact O-N 3.02Å |
| 96 | P | 72.5 | Confident | 76.2 | Confident | 84 Ų | 84 | 100.2 Ų | 100.2 | 55% | 0.545 | 51% | 0.51 | S | S | . | . | trans | -53.3 | 131.7 | 177.1 | -25.4 | 33.7 | 0 | 0 | 0 | 111.6 | E100 M101 | P96-E100 VanDerWaalsContact CA-OE2 3.28Å; P96-E100 WeakPolarHBondContact CA-OE2 3.28Å; P96-E100 HydrophobicContact CB-CB 4.28Å; P96-M101 HydrophobicContact CB-CG 3.95Å | ||
| 97 | T | 76.3 | Confident | 76.6 | Confident | 27 Ų | 27 | 100.2 Ų | 100.2 | 17% | 0.166 | 52% | 0.516 | C | S | . | . | trans | -70 | 160.3 | 174.8 | 50.8 | 0 | 0 | 0 | 0 | 111.3 | F95 L99 E100 M101 | F95-T97 PolarHBondContact O-N 3.02Å; T97-L99 PolarHBondContact O-N 3.44Å; T97-L99 VanDerWaalsContact O-N 3.13Å; T97-E100 PolarHBondContact N-OE2 3.24Å; T97-E100 WeakPolarHBondContact O-CA 3.17Å; T97-E100 WeakPolarHBondContact O-CB 3.46Å; T97-E100 PolarHBondContact O-N 3.2Å; T97-E100 WeakPolarHBondContact OG1-CG 3.15Å; T97-E100 PolarHBondContact OG1-OE2 3.25Å; T97-M101 WeakPolarHBondContact O-CG 3.25Å; T97-M101 PolarHBondContact O-N 3.45Å | ||
| 98 | D | 79.1 | Confident | 77.3 | Confident | 94 Ų | 94 | 102 Ų | 102 | 50% | 0.503 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -53.2 | -37.6 | 177.7 | -65.1 | -47.3 | 0 | 0 | 0 | 112.1 | Q88 M101 R102 | Q88-D98 PolarHBondContact NE2-OD2 2.76Å; D98-M101 PolarHBondContact O-N 3.31Å; D98-R102 WeakPolarHBondContact O-CB 3.49Å; D98-R102 VanDerWaalsContact O-CG 3.24Å; D98-R102 WeakPolarHBondContact O-CG 3.24Å; D98-R102 PolarHBondContact O-N 3.47Å |
| 99 | L | 78 | Confident | 78 | Confident | 133 Ų | 133 | 98.6 Ų | 98.6 | 70% | 0.696 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.7 | -47.6 | 175.6 | -176.3 | 69 | 0 | 0 | 0 | 111.3 | T97 R102 S103 | T97-L99 PolarHBondContact O-N 3.44Å; T97-L99 VanDerWaalsContact O-N 3.13Å; L99-R102 PolarHBondContact O-N 3.39Å; L99-S103 WeakPolarHBondContact O-CB 3.31Å; L99-S103 PolarHBondContact O-N 3.12Å |
| 100 | E | 82.2 | Confident | 78.4 | Confident | 97 Ų | 97 | 101.3 Ų | 101.3 | 45% | 0.453 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 177.9 | -70.8 | 170.3 | 157.7 | 0 | 0 | 111.4 | P96 T97 R102 S103 G104 | P96-E100 VanDerWaalsContact CA-OE2 3.28Å; P96-E100 WeakPolarHBondContact CA-OE2 3.28Å; P96-E100 HydrophobicContact CB-CB 4.28Å; T97-E100 PolarHBondContact N-OE2 3.24Å; T97-E100 WeakPolarHBondContact O-CA 3.17Å; T97-E100 WeakPolarHBondContact O-CB 3.46Å; T97-E100 PolarHBondContact O-N 3.2Å; T97-E100 WeakPolarHBondContact OG1-CG 3.15Å; T97-E100 PolarHBondContact OG1-OE2 3.25Å; E100-R102 PolarHBondContact O-N 3.18Å; E100-S103 WeakPolarHBondContact CA-OG 3.25Å; E100-S103 PolarHBondContact O-N 3.49Å; E100-S103 VanDerWaalsContact O-N 3.16Å; E100-S103 PolarHBondContact O-OG 3.1Å; E100-G104 PolarHBondContact O-N 2.71Å; E100-G104 VanDerWaalsContact O-N 3.1Å |
| 101 | M | 83.2 | Confident | 77.9 | Confident | 118 Ų | 118 | 101 Ų | 101 | 58% | 0.581 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -58.6 | -47.6 | 174.9 | -72.1 | -179.6 | 48.7 | 0 | 0 | 111.7 | P96 T97 D98 S103 G104 | P96-M101 HydrophobicContact CB-CG 3.95Å; T97-M101 WeakPolarHBondContact O-CG 3.25Å; T97-M101 PolarHBondContact O-N 3.45Å; D98-M101 PolarHBondContact O-N 3.31Å; M101-S103 VanDerWaalsContact C-N 3.27Å; M101-S103 PolarHBondContact O-N 3.2Å; M101-G104 PolarHBondContact O-N 3.4Å |
| 102 | R | 84.2 | Confident | 77.3 | Confident | 184 Ų | 184 | 99.9 Ų | 99.9 | 69% | 0.694 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68.2 | -25.1 | 177.3 | -70.9 | 178.5 | 75.1 | -143.9 | 2.4 | 113 | D98 L99 E100 G104 S107 | D98-R102 WeakPolarHBondContact O-CB 3.49Å; D98-R102 VanDerWaalsContact O-CG 3.24Å; D98-R102 WeakPolarHBondContact O-CG 3.24Å; D98-R102 PolarHBondContact O-N 3.47Å; L99-R102 PolarHBondContact O-N 3.39Å; E100-R102 PolarHBondContact O-N 3.18Å; R102-G104 VanDerWaalsContact C-N 3.32Å; R102-S107 WeakPolarHBondContact O-CB 3.01Å; R102-S107 PolarHBondContact O-OG 3.46Å |
| 103 | S | 84.8 | Confident | 76.6 | Confident | 64 Ų | 64 | 96.9 Ų | 96.9 | 45% | 0.448 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -79.8 | -15.5 | 175.4 | 81.4 | 0 | 0 | 0 | 0 | 113.7 | L99 E100 M101 R108 | L99-S103 WeakPolarHBondContact O-CB 3.31Å; L99-S103 PolarHBondContact O-N 3.12Å; E100-S103 WeakPolarHBondContact CA-OG 3.25Å; E100-S103 PolarHBondContact O-N 3.49Å; E100-S103 VanDerWaalsContact O-N 3.16Å; E100-S103 PolarHBondContact O-OG 3.1Å; M101-S103 VanDerWaalsContact C-N 3.27Å; M101-S103 PolarHBondContact O-N 3.2Å; S103-R108 PolarHBondContact O-NE 2.98Å; S103-R108 PolarHBondContact O-NH2 3.21Å |
| 104 | G | 84.4 | Confident | 75.6 | Confident | 27 Ų | 27 | 100.8 Ų | 100.8 | 28% | 0.278 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -67.5 | 161.8 | -175 | 0 | 0 | 0 | 0 | 0 | 114.1 | E100 M101 R102 L106 S107 R108 | E100-G104 PolarHBondContact O-N 2.71Å; E100-G104 VanDerWaalsContact O-N 3.1Å; M101-G104 PolarHBondContact O-N 3.4Å; R102-G104 VanDerWaalsContact C-N 3.32Å; G104-L106 VanDerWaalsContact C-N 3.28Å; G104-L106 PolarHBondContact O-N 3.16Å; G104-S107 PolarHBondContact O-N 2.92Å; G104-R108 PolarHBondContact O-N 2.82Å |
| 105 | W | 88.6 | Confident | 74.7 | Confident | 185 Ų | 185 | 107.9 Ų | 107.9 | 70% | 0.701 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -58.1 | -39 | -178.2 | -176.6 | 77.2 | 0 | 0 | 0 | 112.9 | S107 R108 I109 | W105-S107 PolarHBondContact O-N 3.42Å; W105-R108 WeakPolarHBondContact O-CB 3.35Å; W105-R108 PolarHBondContact O-N 3.42Å; W105-R108 VanDerWaalsContact O-N 3.12Å; W105-I109 HydrophobicContact CD2-CG2 4.19Å; W105-I109 HydrophobicContact CE3-CD1 3.96Å; W105-I109 HydrophobicContact CH2-CD1 3.78Å; W105-I109 HydrophobicContact CH2-CG2 4.38Å; W105-I109 HydrophobicContact CZ2-CD1 4.35Å; W105-I109 HydrophobicContact CZ2-CG2 3.86Å; W105-I109 HydrophobicContact CZ3-CD1 3.56Å; W105-I109 PolarHBondContact O-N 2.71Å; W105-I109 VanDerWaalsContact O-N 3.14Å |
| 106 | L | 86 | Confident | 73.7 | Confident | 123 Ų | 123 | 106 Ų | 106 | 64% | 0.644 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -56.3 | -48.9 | 177.1 | -70 | 174.5 | 0 | 0 | 0 | 112.2 | G104 R108 I109 T110 | G104-L106 VanDerWaalsContact C-N 3.28Å; G104-L106 PolarHBondContact O-N 3.16Å; L106-R108 PolarHBondContact O-N 2.89Å; L106-I109 HydrophobicContact CD2-CD1 4.19Å; L106-I109 WeakPolarHBondContact O-CG1 3.27Å; L106-I109 PolarHBondContact O-N 2.95Å; L106-T110 WeakPolarHBondContact O-CG2 3.36Å; L106-T110 PolarHBondContact O-N 3.39Å; L106-T110 PolarHBondContact O-OG1 2.86Å |
| 107 | S | 83.9 | Confident | 72.4 | Confident | 36 Ų | 36 | 105.1 Ų | 105.1 | 25% | 0.252 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -58.9 | -33.6 | 177.7 | 179.1 | 0 | 0 | 0 | 0 | 112.7 | R102 G104 W105 | R102-S107 WeakPolarHBondContact O-CB 3.01Å; R102-S107 PolarHBondContact O-OG 3.46Å; G104-S107 PolarHBondContact O-N 2.92Å; W105-S107 PolarHBondContact O-N 3.42Å |
| 108 | R | 83.4 | Confident | 71.1 | Confident | 187 Ų | 187 | 108.9 Ų | 108.9 | 71% | 0.706 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -72.9 | -38.6 | 178.6 | -58.1 | -178.5 | -156 | 176.5 | 4.2 | 112.6 | S103 G104 W105 L106 | S103-R108 PolarHBondContact O-NE 2.98Å; S103-R108 PolarHBondContact O-NH2 3.21Å; G104-R108 PolarHBondContact O-N 2.82Å; W105-R108 WeakPolarHBondContact O-CB 3.35Å; W105-R108 PolarHBondContact O-N 3.42Å; W105-R108 VanDerWaalsContact O-N 3.12Å; L106-R108 PolarHBondContact O-N 2.89Å |
| 109 | I | 83.9 | Confident | 69.9 | Low | 95 Ų | 95 | 111.3 Ų | 111.3 | 49% | 0.487 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -81.5 | -29.2 | -178.1 | 61.6 | 163.2 | 0 | 0 | 0 | 113 | W105 L106 G111 | W105-I109 HydrophobicContact CD2-CG2 4.19Å; W105-I109 HydrophobicContact CE3-CD1 3.96Å; W105-I109 HydrophobicContact CH2-CD1 3.78Å; W105-I109 HydrophobicContact CH2-CG2 4.38Å; W105-I109 HydrophobicContact CZ2-CD1 4.35Å; W105-I109 HydrophobicContact CZ2-CG2 3.86Å; W105-I109 HydrophobicContact CZ3-CD1 3.56Å; W105-I109 PolarHBondContact O-N 2.71Å; W105-I109 VanDerWaalsContact O-N 3.14Å; L106-I109 HydrophobicContact CD2-CD1 4.19Å; L106-I109 WeakPolarHBondContact O-CG1 3.27Å; L106-I109 PolarHBondContact O-N 2.95Å; I109-G111 PolarHBondContact O-N 3.43Å |
| 110 | T | 78.1 | Confident | 68.2 | Low | 111 Ų | 111 | 109.9 Ų | 109.9 | 68% | 0.681 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -81.9 | 0.3 | 179.2 | 57.6 | 0 | 0 | 0 | 0 | 113.2 | L106 | L106-T110 WeakPolarHBondContact O-CG2 3.36Å; L106-T110 PolarHBondContact O-N 3.39Å; L106-T110 PolarHBondContact O-OG1 2.86Å |
| 111 | G | 58.8 | Low | 66.4 | Low | 37 Ų | 37 | 111.1 Ų | 111.1 | 38% | 0.381 | 62% | 0.623 | S | S | . | * | trans | 84.7 | 115.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111 | I109 A113 | I109-G111 PolarHBondContact O-N 3.43Å; G111-A113 PolarHBondContact O-N 2.82Å | ||
| 112 | G | 56.7 | Low | 64.3 | Low | 85 Ų | 85 | 112.8 Ų | 112.8 | 88% | 0.876 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -67.9 | 38 | 161 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 113 | A | 52.9 | Low | 62.5 | Low | 53 Ų | 53 | 108.3 Ų | 108.3 | 44% | 0.438 | 64% | 0.636 | S | S | . | * | S | Bend | trans | -118.1 | 147.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | G111 F115 | G111-A113 PolarHBondContact O-N 2.82Å; A113-F115 PolarHBondContact O-N 3.11Å; A113-F115 VanDerWaalsContact O-N 3.15Å |
| 114 | E | 49.3 | Very low | 60.6 | Low | 172 Ų | 172 | 112.6 Ų | 112.6 | 80% | 0.804 | 65% | 0.649 | S | S | * | * | S | Bend | trans | 66.9 | -22.5 | 172.5 | 13 | -72.8 | 171.4 | 0 | 0 | 124 | S116 | E114-S116 PolarHBondContact O-N 3.3Š|
| 115 | F | 52.6 | Low | 59.1 | Low | 200 Ų | 200 | 116.5 Ų | 116.5 | 88% | 0.877 | 67% | 0.669 | S | S | * | * | trans | -82 | 52.4 | 177.5 | -130 | -87.5 | 0 | 0 | 0 | 113.3 | A113 | A113-F115 PolarHBondContact O-N 3.11Å; A113-F115 VanDerWaalsContact O-N 3.15Å | ||
| 116 | S | 49.3 | Very low | 57.7 | Low | 114 Ų | 114 | 113.7 Ų | 113.7 | 80% | 0.797 | 68% | 0.675 | S | S | * | * | trans | -114.5 | 57.9 | 167 | 180 | 0 | 0 | 0 | 0 | 108.9 | E114 | E114-S116 PolarHBondContact O-N 3.3Š| ||
| 117 | A | 44.5 | Very low | 55.8 | Low | 66 Ų | 66 | 114.5 Ų | 114.5 | 55% | 0.545 | 69% | 0.685 | S | S | . | * | trans | -119.2 | 107.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108 | I119 | A117-I119 VanDerWaalsContact C-N 3.28Å; A117-I119 PolarHBondContact O-N 3.14Å | ||
| 118 | P | 49.3 | Very low | 54.2 | Low | 105 Ų | 105 | 121.3 Ų | 121.3 | 68% | 0.682 | 72% | 0.715 | S | S | * | * | trans | -64.7 | 99.4 | 159 | 27.8 | -28.6 | 0 | 0 | 0 | 106.6 | S120 | P118-S120 PolarHBondContact O-N 3.35Å; P118-S120 VanDerWaalsContact O-N 3.16Å | ||
| 119 | I | 53.4 | Low | 52.3 | Low | 146 Ų | 146 | 116.8 Ų | 116.8 | 75% | 0.749 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -60.1 | 116.9 | 153.8 | -60.7 | 172.2 | 0 | 0 | 0 | 103.8 | A117 | A117-I119 VanDerWaalsContact C-N 3.28Å; A117-I119 PolarHBondContact O-N 3.14Å |
| 120 | S | 42.6 | Very low | 50.5 | Low | 103 Ų | 103 | 116.7 Ų | 116.7 | 72% | 0.72 | 72% | 0.72 | S | S | * | * | trans | 91.4 | 76.6 | -166.9 | -37.6 | 0 | 0 | 0 | 0 | 113.2 | P118 | P118-S120 PolarHBondContact O-N 3.35Å; P118-S120 VanDerWaalsContact O-N 3.16Å | ||
| 121 | T | 43.7 | Very low | 48.9 | Very low | 122 Ų | 122 | 120.3 Ų | 120.3 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | -162.4 | 109.6 | 110.6 | -60.2 | 0 | 0 | 0 | 0 | 107.8 | A123 | T121-A123 PolarHBondContact O-N 2.97Š| |||
| 122 | L | 40.1 | Very low | 48.1 | Very low | 153 Ų | 153 | 127 Ų | 127 | 80% | 0.801 | 75% | 0.752 | S | S | * | * | trans | -45.7 | 96.9 | 162.7 | -173.2 | 69.7 | 0 | 0 | 0 | 109.9 | ||||
| 123 | A | 45.6 | Very low | 47.7 | Very low | 90 Ų | 90 | 130.1 Ų | 130.1 | 74% | 0.744 | 75% | 0.754 | S | S | * | * | trans | -108.1 | 109.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108 | T121 | T121-A123 PolarHBondContact O-N 2.97Š| ||
| 124 | H | 44.7 | Very low | 47 | Very low | 155 Ų | 155 | 132.9 Ų | 132.9 | 72% | 0.718 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 135.5 | -178.5 | -51.3 | 143.4 | 0 | 0 | 0 | 111.9 | ||
| 125 | P | 54.4 | Low | 47 | Very low | 109 Ų | 109 | 131.6 Ų | 131.6 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 146.2 | 165.4 | 30 | -31.1 | 0 | 0 | 0 | 109.9 | V127 | P125-V127 PolarHBondContact O-N 3.25Š|
| 126 | P | 57.9 | Low | 46.2 | Very low | 126 Ų | 126 | 129.3 Ų | 129.3 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 124.4 | 175.1 | 27.4 | -31.6 | 0 | 0 | 0 | 110.1 | M128 | P126-M128 PolarHBondContact O-N 2.92Š|
| 127 | V | 46.6 | Very low | 46 | Very low | 140 Ų | 140 | 128.8 Ų | 128.8 | 85% | 0.848 | 77% | 0.766 | S | S | * | * | trans | -67.5 | 112.3 | 173.9 | 175.5 | 0 | 0 | 0 | 0 | 109 | P125 | P125-V127 PolarHBondContact O-N 3.25Š| ||
| 128 | M | 50.8 | Low | 46 | Very low | 178 Ų | 178 | 131.6 Ų | 131.6 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | trans | -106.6 | 105.4 | 158.1 | -74.4 | -119.5 | 89.9 | 0 | 0 | 108.6 | P126 | P126-M128 PolarHBondContact O-N 2.92Š| ||
| 129 | S | 42.7 | Very low | 45.8 | Very low | 93 Ų | 93 | 135.4 Ų | 135.4 | 65% | 0.65 | 79% | 0.785 | S | S | * | * | trans | 24.6 | 124.4 | 146.2 | -152 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 130 | S | 46 | Very low | 45.2 | Very low | 93 Ų | 93 | 132.9 Ų | 132.9 | 65% | 0.65 | 79% | 0.786 | S | S | * | * | trans | 107.7 | 128.3 | 134.5 | -64.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 131 | H | 44.7 | Very low | 45.8 | Very low | 186 Ų | 186 | 135.9 Ų | 135.9 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | trans | 86.6 | 110.6 | 160.4 | -65.6 | -68.5 | 0 | 0 | 0 | 119.3 | ||||
| 132 | M | 42.5 | Very low | 45.6 | Very low | 178 Ų | 178 | 136.2 Ų | 136.2 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | trans | -68.6 | 142.8 | 172 | -49 | -155.4 | 77.9 | 0 | 0 | 111.4 | ||||
| 133 | V | 49.1 | Very low | 45.5 | Very low | 151 Ų | 151 | 136.1 Ų | 136.1 | 92% | 0.915 | 79% | 0.794 | S | S | * | * | trans | -162.2 | 132.7 | 130.7 | -87.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 134 | S | 37.9 | Very low | 45.6 | Very low | 110 Ų | 110 | 137.4 Ų | 137.4 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -91.5 | 137.6 | 175.3 | 165.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 135 | V | 49.6 | Very low | 45.3 | Very low | 145 Ų | 145 | 134.8 Ų | 134.8 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | -162.3 | 127.2 | 146.6 | -86.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 136 | D | 35 | Very low | 44.8 | Very low | 152 Ų | 152 | 138.6 Ų | 138.6 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | -62.1 | 148.4 | 165.6 | -69.1 | -51.1 | 0 | 0 | 0 | 111.6 | ||||
| 137 | S | 45.9 | Very low | 44.1 | Very low | 103 Ų | 103 | 136.8 Ų | 136.8 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | trans | 170.3 | 113.5 | 134.5 | -83 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 138 | V | 44.3 | Very low | 43.9 | Very low | 126 Ų | 126 | 136.9 Ų | 136.9 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | trans | 23.9 | 119.8 | 133 | -69.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 139 | H | 45.3 | Very low | 43.8 | Very low | 185 Ų | 185 | 135.7 Ų | 135.7 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | trans | -140.1 | 99.5 | 144.2 | -89.7 | 66.9 | 0 | 0 | 0 | 108.8 | ||||
| 140 | A | 40.9 | Very low | 43.9 | Very low | 93 Ų | 93 | 136.7 Ų | 136.7 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -76.5 | 136.6 | 160.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 141 | I | 53.3 | Low | 43.7 | Very low | 165 Ų | 165 | 138.4 Ų | 138.4 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | -116.5 | 132.1 | 165.7 | -59 | -176.8 | 0 | 0 | 0 | 108.5 | ||||
| 142 | T | 41.4 | Very low | 43.7 | Very low | 130 Ų | 130 | 136.1 Ų | 136.1 | 80% | 0.798 | 81% | 0.805 | S | S | * | * | trans | -86.9 | 144.1 | -160.6 | -62 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 143 | L | 38 | Very low | 43.7 | Very low | 151 Ų | 151 | 132.1 Ų | 132.1 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | -63.6 | 168 | 168.7 | -143.7 | 80.9 | 0 | 0 | 0 | 111.5 | ||||
| 144 | P | 46.9 | Very low | 43.2 | Very low | 117 Ų | 117 | 130.7 Ų | 130.7 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | -155 | 157 | 93.2 | 37.6 | -18.1 | 0 | 0 | 0 | 117.7 | |||||
| 145 | S | 38 | Very low | 43.6 | Very low | 99 Ų | 99 | 134.5 Ų | 134.5 | 69% | 0.692 | 80% | 0.803 | S | S | * | * | trans | 67.3 | 109.8 | 135 | -171.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 146 | Q | 43.3 | Very low | 43.3 | Very low | 189 Ų | 189 | 137.2 Ų | 137.2 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | -166.8 | 158.7 | 107 | -101.6 | -171.2 | 23.7 | 0 | 0 | 111.3 | |||||
| 147 | S | 43 | Very low | 43.5 | Very low | 89 Ų | 89 | 138.5 Ų | 138.5 | 62% | 0.622 | 81% | 0.809 | S | S | * | * | trans | -95.6 | 171.7 | -150.6 | 52.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 148 | D | 42.9 | Very low | 43.3 | Very low | 141 Ų | 141 | 136.4 Ų | 136.4 | 75% | 0.754 | 80% | 0.803 | S | S | * | * | trans | 75.3 | 91 | 155 | -51.9 | -47.9 | 0 | 0 | 0 | 118.4 | ||||
| 149 | V | 48.5 | Very low | 43.3 | Very low | 153 Ų | 153 | 136.6 Ų | 136.6 | 93% | 0.927 | 81% | 0.807 | S | S | * | * | -170.6 | 140.5 | 106.4 | -119 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 150 | S | 45 | Very low | 43.3 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 162.9 | -178 | -61.6 | 0 | 0 | 0 | 0 | 116.1 | ||
| 151 | P | 41.3 | Very low | 43.4 | Very low | 129 Ų | 129 | 133.6 Ų | 133.6 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 137.8 | -151.1 | 35.4 | -31.8 | 0 | 0 | 0 | 113.6 | ||
| 152 | V | 46.3 | Very low | 42.9 | Very low | 137 Ų | 137 | 130.8 Ų | 130.8 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 124.9 | 155.6 | 64.4 | 0 | 0 | 0 | 0 | 108.2 | S154 | V152-S154 PolarHBondContact O-N 3.24Š|
| 153 | A | 40.9 | Very low | 42.7 | Very low | 94 Ų | 94 | 135.1 Ų | 135.1 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 123.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q155 | A153-Q155 PolarHBondContact O-N 3.36Š|
| 154 | S | 40.5 | Very low | 43.4 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | -73.1 | 109.7 | 173.2 | -53.5 | 0 | 0 | 0 | 0 | 110.3 | V152 K156 | V152-S154 PolarHBondContact O-N 3.24Å; S154-K156 PolarHBondContact O-N 3.39Å | ||
| 155 | Q | 46.3 | Very low | 43.2 | Very low | 190 Ų | 190 | 133 Ų | 133 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | trans | -83.7 | 102.8 | 160.6 | -71.3 | -168.3 | -6.6 | 0 | 0 | 109.1 | A153 L157 | A153-Q155 PolarHBondContact O-N 3.36Å; Q155-L157 PolarHBondContact O-N 3.25Å | ||
| 156 | K | 41.8 | Very low | 43.5 | Very low | 202 Ų | 202 | 134.8 Ų | 134.8 | 88% | 0.878 | 81% | 0.811 | S | S | * | * | trans | -11.4 | 104.9 | 160.7 | -162.5 | 164.7 | -179.1 | -176.1 | 0 | 115 | S154 G158 | S154-K156 PolarHBondContact O-N 3.39Å; K156-G158 PolarHBondContact O-N 3.11Å; K156-G158 VanDerWaalsContact O-N 3.13Å | ||
| 157 | L | 38.8 | Very low | 43.7 | Very low | 178 Ų | 178 | 136.4 Ų | 136.4 | 93% | 0.932 | 81% | 0.809 | S | S | * | * | trans | -60.9 | 105.5 | 162 | -78.4 | 151.4 | 0 | 0 | 0 | 109.2 | Q155 | Q155-L157 PolarHBondContact O-N 3.25Š| ||
| 158 | G | 41.9 | Very low | 43.5 | Very low | 59 Ų | 59 | 137.1 Ų | 137.1 | 61% | 0.608 | 81% | 0.814 | S | S | * | * | trans | -93.2 | 144.3 | 158.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | K156 | K156-G158 PolarHBondContact O-N 3.11Å; K156-G158 VanDerWaalsContact O-N 3.13Å | ||
| 159 | P | 45.4 | Very low | 43.6 | Very low | 130 Ų | 130 | 135.7 Ų | 135.7 | 84% | 0.844 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -77.8 | 152.5 | -176.3 | 32.9 | -32.5 | 0 | 0 | 0 | 111.1 | ||
| 160 | S | 45.8 | Very low | 43.5 | Very low | 107 Ų | 107 | 139 Ų | 139 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | trans | 78.4 | 82.1 | 165.5 | -163 | 0 | 0 | 0 | 0 | 117 | C162 | S160-C162 VanDerWaalsContact C-N 3.25Å; S160-C162 PolarHBondContact O-N 3.46Å; S160-C162 VanDerWaalsContact O-N 3.14Å | ||
| 161 | A | 41.9 | Very low | 43.8 | Very low | 108 Ų | 108 | 140.6 Ų | 140.6 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | -74.1 | 85.5 | 148.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 162 | C | 43.8 | Very low | 44.2 | Very low | 107 Ų | 107 | 140 Ų | 140 | 72% | 0.723 | 80% | 0.8 | S | S | * | * | trans | -82.6 | 131.4 | 163.2 | -160.2 | 0 | 0 | 0 | 0 | 107.6 | S160 | S160-C162 VanDerWaalsContact C-N 3.25Å; S160-C162 PolarHBondContact O-N 3.46Å; S160-C162 VanDerWaalsContact O-N 3.14Å | ||
| 163 | W | 37.2 | Very low | 44.2 | Very low | 220 Ų | 220 | 139.2 Ų | 139.2 | 83% | 0.833 | 80% | 0.801 | S | S | * | * | trans | -46.8 | 134.3 | -179.2 | -71.7 | 79.1 | 0 | 0 | 0 | 111.8 | S165 | W163-S165 PolarHBondContact O-N 2.84Š| ||
| 164 | P | 52.9 | Low | 44.3 | Very low | 122 Ų | 122 | 140.2 Ų | 140.2 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | trans | -65.6 | 110.8 | 176.5 | 25.3 | -29.8 | 0 | 0 | 0 | 108.9 | ||||
| 165 | S | 40.9 | Very low | 44.5 | Very low | 102 Ų | 102 | 146.2 Ų | 146.2 | 71% | 0.713 | 80% | 0.804 | S | S | * | * | trans | -59.8 | 135.8 | 166.5 | -83.2 | 0 | 0 | 0 | 0 | 109.5 | W163 R167 | W163-S165 PolarHBondContact O-N 2.84Å; S165-R167 PolarHBondContact O-N 3.26Å | ||
| 166 | P | 46.2 | Very low | 44.3 | Very low | 136 Ų | 136 | 141.6 Ų | 141.6 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -76.3 | 73.1 | 172.5 | 32 | -31.4 | 0 | 0 | 0 | 108.5 | ||||
| 167 | R | 47.1 | Very low | 44.5 | Very low | 224 Ų | 224 | 143.4 Ų | 143.4 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | trans | -97.9 | 102.1 | 173.2 | -144.8 | 177.8 | -162.7 | -146 | 4.6 | 109.2 | S165 | S165-R167 PolarHBondContact O-N 3.26Š| ||
| 168 | S | 37.6 | Very low | 44.9 | Very low | 103 Ų | 103 | 143.1 Ų | 143.1 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | trans | 41.8 | 95.7 | 138.4 | -164.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 169 | T | 45.9 | Very low | 45 | Very low | 111 Ų | 111 | 145.5 Ų | 145.5 | 68% | 0.681 | 80% | 0.802 | S | S | * | * | trans | -133.3 | 70.3 | 152.3 | -34.8 | 0 | 0 | 0 | 0 | 108.3 | M171 | T169-M171 VanDerWaalsContact C-N 3.26Å; T169-M171 HydrophobicContact CG2-CE 3.44Å; T169-M171 VanDerWaalsContact CG2-CE 3.44Å; T169-M171 HydrophobicContact CG2-CG 4.03Å; T169-M171 PolarHBondContact O-N 2.88Å; T169-M171 VanDerWaalsContact O-N 3.07Å | ||
| 170 | Y | 45.2 | Very low | 45 | Very low | 224 Ų | 224 | 146.9 Ų | 146.9 | 88% | 0.878 | 80% | 0.802 | S | S | * | * | trans | -70.1 | 92.8 | 156.6 | -105.5 | -90.8 | 0 | 0 | 0 | 106.8 | ||||
| 171 | M | 52.1 | Low | 44.9 | Very low | 147 Ų | 147 | 146 Ų | 146 | 72% | 0.724 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 126.2 | 161.5 | -75.5 | -69.5 | 122.6 | 0 | 0 | 107.9 | T169 | T169-M171 VanDerWaalsContact C-N 3.26Å; T169-M171 HydrophobicContact CG2-CE 3.44Å; T169-M171 VanDerWaalsContact CG2-CE 3.44Å; T169-M171 HydrophobicContact CG2-CG 4.03Å; T169-M171 PolarHBondContact O-N 2.88Å; T169-M171 VanDerWaalsContact O-N 3.07Å |
| 172 | P | 50.8 | Low | 44.6 | Very low | 116 Ų | 116 | 146.5 Ų | 146.5 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 125.2 | 178.6 | 29.9 | -28.8 | 0 | 0 | 0 | 109.9 | ||
| 173 | S | 44.6 | Very low | 44.8 | Very low | 121 Ų | 121 | 148.5 Ų | 148.5 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 128.5 | 170.3 | -156.7 | 0 | 0 | 0 | 0 | 109.5 | ||
| 174 | P | 44.7 | Very low | 45.2 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | trans | -96.2 | 112 | -176.3 | 33.4 | -27.5 | 0 | 0 | 0 | 111.4 | ||||
| 175 | R | 44.8 | Very low | 44.6 | Very low | 248 Ų | 248 | 143.7 Ų | 143.7 | 94% | 0.936 | 81% | 0.806 | S | S | * | * | trans | -173 | 142.5 | 145.4 | -120.4 | 167.6 | 168.8 | 150.5 | -4.6 | 114.9 | ||||
| 176 | A | 42.1 | Very low | 44.6 | Very low | 92 Ų | 92 | 142.2 Ų | 142.2 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | trans | 84.2 | 84.7 | 154.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 177 | R | 44.4 | Very low | 44.5 | Very low | 240 Ų | 240 | 142.3 Ų | 142.3 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | trans | 13.6 | 124.5 | 133.2 | -61.5 | 179.2 | -165.1 | -150.7 | 1.3 | 117.6 | ||||
| 178 | L | 48.7 | Very low | 44.5 | Very low | 172 Ų | 172 | 138.4 Ų | 138.4 | 90% | 0.901 | 81% | 0.81 | S | S | * | * | -162 | 128.8 | 129 | -97.7 | 153.5 | 0 | 0 | 0 | 107.8 | |||||
| 179 | P | 44.2 | Very low | 44.6 | Very low | 109 Ų | 109 | 137.8 Ų | 137.8 | 71% | 0.708 | 81% | 0.811 | S | S | * | * | trans | -91.9 | 141.3 | 177.6 | 34.9 | -27.8 | 0 | 0 | 0 | 110 | ||||
| 180 | N | 44.2 | Very low | 44.6 | Very low | 159 Ų | 159 | 137.7 Ų | 137.7 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | trans | -165.7 | 114.4 | 132.8 | -104.6 | 4.6 | 0 | 0 | 0 | 112.8 | ||||
| 181 | A | 43.6 | Very low | 44.4 | Very low | 89 Ų | 89 | 135.3 Ų | 135.3 | 74% | 0.736 | 81% | 0.813 | S | S | * | * | trans | 49.1 | 103.1 | 136 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 182 | C | 36.2 | Very low | 44.1 | Very low | 119 Ų | 119 | 131.6 Ų | 131.6 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -45.2 | 140.3 | 146 | 49.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 183 | V | 46.7 | Very low | 43.6 | Very low | 148 Ų | 148 | 135.4 Ų | 135.4 | 90% | 0.897 | 82% | 0.82 | S | S | * | * | trans | -146.8 | 137.7 | 136.9 | -176.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 184 | S | 46 | Very low | 43.5 | Very low | 111 Ų | 111 | 141.3 Ų | 141.3 | 78% | 0.776 | 82% | 0.824 | S | S | * | * | trans | -65.4 | 174.8 | -168.5 | -72.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 185 | P | 41.2 | Very low | 43.6 | Very low | 130 Ų | 130 | 141.3 Ų | 141.3 | 84% | 0.844 | 82% | 0.822 | S | S | * | * | trans | -103 | 160.5 | -155.5 | 39 | -31.3 | 0 | 0 | 0 | 115.1 | ||||
| 186 | G | 39.9 | Very low | 43.7 | Very low | 71 Ų | 71 | 135.3 Ų | 135.3 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | trans | 129.3 | 108.9 | 159 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 187 | C | 44 | Very low | 43.9 | Very low | 139 Ų | 139 | 142.2 Ų | 142.2 | 94% | 0.939 | 82% | 0.819 | S | S | * | * | trans | 178 | 146.3 | 147.3 | -88.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 188 | V | 48.6 | Very low | 44.5 | Very low | 142 Ų | 142 | 135.9 Ų | 135.9 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | trans | -107.3 | 130.6 | -156.5 | -177.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 189 | A | 39.5 | Very low | 44.6 | Very low | 90 Ų | 90 | 133.3 Ų | 133.3 | 74% | 0.744 | 80% | 0.8 | S | S | * | * | trans | 53.4 | 171.4 | 150 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 190 | P | 44.7 | Very low | 44.5 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | cis | -130.7 | 178.5 | -12.1 | 34.9 | -15 | 0 | 0 | 0 | 114.3 | ||||
| 191 | I | 41.7 | Very low | 44.7 | Very low | 174 Ų | 174 | 130.7 Ų | 130.7 | 89% | 0.892 | 80% | 0.798 | S | S | * | * | trans | 62.1 | 106.1 | 154.4 | -67 | 154.7 | 0 | 0 | 0 | 117.3 | ||||
| 192 | G | 45.1 | Very low | 44.5 | Very low | 70 Ų | 70 | 132.7 Ų | 132.7 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | trans | -176.4 | 122.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | R194 | G192-R194 PolarHBondContact O-N 2.89Š| ||
| 193 | Q | 41.4 | Very low | 44.7 | Very low | 195 Ų | 195 | 134.2 Ų | 134.2 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | trans | -45.3 | 122.4 | -174.3 | -64.6 | 160.7 | -39.6 | 0 | 0 | 113.4 | ||||
| 194 | R | 40.8 | Very low | 44.7 | Very low | 245 Ų | 245 | 133.7 Ų | 133.7 | 93% | 0.925 | 78% | 0.78 | S | S | * | * | trans | -100.8 | 93.4 | 169.7 | -156.8 | 175.4 | -174.7 | -171.4 | 1.4 | 109.7 | G192 V196 | G192-R194 PolarHBondContact O-N 2.89Å; R194-V196 PolarHBondContact O-N 3.39Å | ||
| 195 | T | 47.5 | Very low | 44.3 | Very low | 117 Ų | 117 | 133.1 Ų | 133.1 | 72% | 0.718 | 78% | 0.782 | S | S | * | * | trans | -53.4 | 114.7 | 168.1 | -55.6 | 0 | 0 | 0 | 0 | 110.4 | R197 | T195-R197 PolarHBondContact O-N 3.45Š| ||
| 196 | V | 47.3 | Very low | 44.6 | Very low | 121 Ų | 121 | 132 Ų | 132 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | trans | -70.3 | 109.3 | 166.7 | 177.8 | 0 | 0 | 0 | 0 | 107.4 | R194 T198 | R194-V196 PolarHBondContact O-N 3.39Å; V196-T198 HydrophobicContact CG1-CG2 4.08Å; V196-T198 PolarHBondContact O-N 2.99Å | ||
| 197 | R | 46.6 | Very low | 44.6 | Very low | 237 Ų | 237 | 137.6 Ų | 137.6 | 89% | 0.894 | 77% | 0.772 | S | S | * | * | trans | -81.7 | 94.4 | 166.9 | -75.1 | -174.8 | 172.1 | -179.5 | -2.1 | 108.4 | T195 | T195-R197 PolarHBondContact O-N 3.45Š| ||
| 198 | T | 56.5 | Low | 44.8 | Very low | 108 Ų | 108 | 139.8 Ų | 139.8 | 66% | 0.663 | 76% | 0.76 | S | S | * | * | trans | -75.9 | 139.2 | 160.6 | 45.1 | 0 | 0 | 0 | 0 | 109.6 | V196 A200 | V196-T198 HydrophobicContact CG1-CG2 4.08Å; V196-T198 PolarHBondContact O-N 2.99Å; T198-A200 PolarHBondContact O-N 3.5Å | ||
| 199 | P | 50.9 | Low | 44.3 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 76% | 0.76 | 76% | 0.757 | S | S | * | * | trans | -70.9 | 113.2 | 163.8 | 30 | -28.1 | 0 | 0 | 0 | 107.8 | V201 | P199-V201 PolarHBondContact O-N 3.31Å; P199-V201 VanDerWaalsContact O-N 3.11Å | ||
| 200 | A | 41.5 | Very low | 44.7 | Very low | 95 Ų | 95 | 142.9 Ų | 142.9 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | -69.3 | 101.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | T198 H202 | T198-A200 PolarHBondContact O-N 3.5Å; A200-H202 PolarHBondContact O-N 3.28Å | ||
| 201 | V | 48.2 | Very low | 44.5 | Very low | 118 Ų | 118 | 140.8 Ų | 140.8 | 72% | 0.715 | 76% | 0.756 | S | S | * | * | trans | -82.7 | 98.3 | 161.6 | -177.1 | 0 | 0 | 0 | 0 | 106.6 | P199 N203 | P199-V201 PolarHBondContact O-N 3.31Å; P199-V201 VanDerWaalsContact O-N 3.11Å; V201-N203 PolarHBondContact O-N 3.12Å; V201-N203 VanDerWaalsContact O-N 3.11Å | ||
| 202 | H | 39.7 | Very low | 44.3 | Very low | 132 Ų | 132 | 139.2 Ų | 139.2 | 61% | 0.611 | 76% | 0.755 | S | S | * | * | trans | -69.9 | 93.7 | 175.1 | 179.8 | 72.3 | 0 | 0 | 0 | 110 | A200 Q204 | A200-H202 PolarHBondContact O-N 3.28Å; H202-Q204 VanDerWaalsContact CE1-CG 3.44Å; H202-Q204 WeakPolarHBondContact CE1-CG 3.25Å; H202-Q204 PolarHBondContact CE1-NE2 3.33Å; H202-Q204 VanDerWaalsContact NE2-CG 3.25Å; H202-Q204 WeakPolarHBondContact NE2-CG 3.44Å; H202-Q204 PolarHBondContact NE2-NE2 3.29Å; H202-Q204 VanDerWaalsContact NE2-NE2 3.12Å; H202-Q204 PolarHBondContact NE2-OE1 2.72Å; H202-Q204 PolarHBondContact O-N 2.98Å | ||
| 203 | N | 41.8 | Very low | 44 | Very low | 151 Ų | 151 | 140.3 Ų | 140.3 | 81% | 0.807 | 76% | 0.757 | S | S | * | * | trans | -84.6 | 86.5 | 165.7 | -80.9 | -40.7 | 0 | 0 | 0 | 108.8 | V201 A205 | V201-N203 PolarHBondContact O-N 3.12Å; V201-N203 VanDerWaalsContact O-N 3.11Å; N203-A205 PolarHBondContact O-N 3.08Å | ||
| 204 | Q | 44.9 | Very low | 44.3 | Very low | 137 Ų | 137 | 137.4 Ų | 137.4 | 64% | 0.64 | 75% | 0.752 | S | S | * | * | trans | -76.9 | 105.1 | 161.4 | -106 | 174.5 | 10.8 | 0 | 0 | 108.6 | H202 I206 | H202-Q204 VanDerWaalsContact CE1-CG 3.44Å; H202-Q204 WeakPolarHBondContact CE1-CG 3.25Å; H202-Q204 PolarHBondContact CE1-NE2 3.33Å; H202-Q204 VanDerWaalsContact NE2-CG 3.25Å; H202-Q204 WeakPolarHBondContact NE2-CG 3.44Å; H202-Q204 PolarHBondContact NE2-NE2 3.29Å; H202-Q204 VanDerWaalsContact NE2-NE2 3.12Å; H202-Q204 PolarHBondContact NE2-OE1 2.72Å; H202-Q204 PolarHBondContact O-N 2.98Å; Q204-I206 PolarHBondContact O-N 3.2Å | ||
| 205 | A | 38.6 | Very low | 44.6 | Very low | 99 Ų | 99 | 134.9 Ų | 134.9 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | -59.7 | 98.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | N203 K207 | N203-A205 PolarHBondContact O-N 3.08Å; A205-K207 PolarHBondContact O-N 3.21Å | ||
| 206 | I | 46.4 | Very low | 44.7 | Very low | 106 Ų | 106 | 137 Ų | 137 | 54% | 0.544 | 76% | 0.757 | S | S | . | * | trans | -83.8 | 92.1 | 167.8 | -63 | 176.6 | 0 | 0 | 0 | 107.2 | Q204 R208 | Q204-I206 PolarHBondContact O-N 3.2Å; I206-R208 HydrophobicContact CG2-CB 4.45Å; I206-R208 HydrophobicContact CG2-CG 3.65Å; I206-R208 PolarHBondContact O-N 3.22Å | ||
| 207 | K | 40.4 | Very low | 44.8 | Very low | 189 Ų | 189 | 135.8 Ų | 135.8 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | trans | -70.8 | 98.3 | 161.7 | -171.6 | 173.7 | -179.7 | -177.1 | 0 | 107.2 | A205 | A205-K207 PolarHBondContact O-N 3.21Š| ||
| 208 | R | 48.2 | Very low | 45.2 | Very low | 184 Ų | 184 | 131.6 Ų | 131.6 | 69% | 0.694 | 76% | 0.761 | S | S | * | * | trans | -104.2 | 102.8 | 166.1 | -85.2 | 175.1 | -170.5 | 124.9 | 1.5 | 108.1 | I206 I210 | I206-R208 HydrophobicContact CG2-CB 4.45Å; I206-R208 HydrophobicContact CG2-CG 3.65Å; I206-R208 PolarHBondContact O-N 3.22Å; R208-I210 HydrophobicContact CB-CD1 4.33Å; R208-I210 HydrophobicContact CB-CG1 4.43Å; R208-I210 PolarHBondContact O-N 3.32Å | ||
| 209 | D | 39.1 | Very low | 44.8 | Very low | 151 Ų | 151 | 134.7 Ų | 134.7 | 81% | 0.807 | 77% | 0.768 | S | S | * | * | trans | -59 | 111.4 | 151.9 | -91.7 | -54.3 | 0 | 0 | 0 | 108.1 | ||||
| 210 | I | 48.5 | Very low | 45.1 | Very low | 146 Ų | 146 | 134.9 Ų | 134.9 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | trans | -138.3 | 100.1 | 161.9 | -61.7 | 167.9 | 0 | 0 | 0 | 102.3 | R208 | R208-I210 HydrophobicContact CB-CD1 4.33Å; R208-I210 HydrophobicContact CB-CG1 4.43Å; R208-I210 PolarHBondContact O-N 3.32Å | ||
| 211 | G | 39.8 | Very low | 45.7 | Very low | 64 Ų | 64 | 138.7 Ų | 138.7 | 66% | 0.66 | 77% | 0.773 | S | S | * | * | 90.4 | 92 | 58.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | |||||
| 212 | T | 36.7 | Very low | 45.7 | Very low | 142 Ų | 142 | 138.9 Ų | 138.9 | 87% | 0.871 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -48.5 | 149.6 | 175.7 | 48.6 | 0 | 0 | 0 | 0 | 113.2 | ||
| 213 | A | 38.8 | Very low | 46.3 | Very low | 93 Ų | 93 | 137.2 Ų | 137.2 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | 81.5 | 91.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 214 | V | 47.6 | Very low | 46.2 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | trans | -154.8 | 87.4 | 135.3 | -164.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 215 | E | 47.8 | Very low | 46.7 | Very low | 192 Ų | 192 | 136.7 Ų | 136.7 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | trans | -76.5 | 152.3 | 145.9 | -59.8 | -159.7 | 147.4 | 0 | 0 | 106.6 | ||||
| 216 | D | 49.2 | Very low | 47.1 | Very low | 161 Ų | 161 | 136.6 Ų | 136.6 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | trans | 81.4 | 87.1 | -168 | -80.6 | -17.1 | 0 | 0 | 0 | 116.9 | ||||
| 217 | A | 49.8 | Very low | 47.7 | Very low | 96 Ų | 96 | 137.6 Ų | 137.6 | 79% | 0.793 | 80% | 0.804 | S | S | * | * | trans | -175.5 | 48.6 | 148.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 218 | V | 54.8 | Low | 48 | Very low | 149 Ų | 149 | 134.5 Ų | 134.5 | 90% | 0.903 | 81% | 0.806 | S | S | * | * | trans | -101.5 | -7.2 | 175.6 | 164.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 219 | E | 49.2 | Very low | 48.6 | Very low | 174 Ų | 174 | 131 Ų | 131 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -98.9 | 150.1 | 178.2 | -63.3 | -91.3 | 148.6 | 0 | 0 | 109 | ||
| 220 | V | 56 | Low | 49.5 | Very low | 120 Ų | 120 | 128.5 Ų | 128.5 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | 86.1 | 60.5 | 173 | -147.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 221 | L | 54.4 | Low | 50.3 | Low | 175 Ų | 175 | 127.2 Ų | 127.2 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | trans | -127.1 | 59.8 | 159.6 | -72.7 | 172.1 | 0 | 0 | 0 | 110.8 | ||||
| 222 | S | 48 | Very low | 51.7 | Low | 122 Ų | 122 | 131.8 Ų | 131.8 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | trans | -158.6 | 65.9 | 169.2 | -65.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 223 | S | 51.9 | Low | 52.5 | Low | 97 Ų | 97 | 130.2 Ų | 130.2 | 68% | 0.678 | 81% | 0.812 | S | S | * | * | trans | -121.5 | 112.7 | 170.3 | -63.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 224 | D | 41.1 | Very low | 53.6 | Low | 152 Ų | 152 | 131.4 Ų | 131.4 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | trans | 34.8 | 112.5 | 142.3 | -94.2 | -32.4 | 0 | 0 | 0 | 117.9 | ||||
| 225 | S | 54.7 | Low | 54.1 | Low | 126 Ų | 126 | 134.7 Ų | 134.7 | 88% | 0.881 | 84% | 0.841 | S | S | * | * | trans | -117.6 | 91.9 | 153.4 | -69.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 226 | S | 46.7 | Very low | 54.5 | Low | 97 Ų | 97 | 131.9 Ų | 131.9 | 68% | 0.678 | 84% | 0.838 | S | S | * | * | trans | -59.5 | 140.2 | 158.6 | -54.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 227 | S | 60.1 | Low | 54.7 | Low | 126 Ų | 126 | 130.3 Ų | 130.3 | 88% | 0.881 | 84% | 0.837 | S | S | * | * | trans | -165 | 120.8 | 145.3 | -81.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 228 | S | 45.1 | Very low | 55 | Low | 124 Ų | 124 | 132.2 Ų | 132.2 | 87% | 0.867 | 84% | 0.839 | S | S | * | * | trans | -75.7 | 148.3 | 177 | -46.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 229 | S | 60.8 | Low | 55 | Low | 111 Ų | 111 | 131.2 Ų | 131.2 | 78% | 0.776 | 84% | 0.836 | S | S | * | * | trans | -172.1 | 99.8 | 156.2 | -150 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 230 | S | 58.3 | Low | 55.4 | Low | 98 Ų | 98 | 128.6 Ų | 128.6 | 69% | 0.685 | 84% | 0.837 | S | S | * | * | 82.3 | 135.9 | 89 | 70 | 0 | 0 | 0 | 0 | 116 | |||||
| 231 | S | 65.7 | Low | 55.3 | Low | 120 Ų | 120 | 129.1 Ų | 129.1 | 84% | 0.839 | 84% | 0.844 | S | S | * | * | trans | 92 | 140.8 | 168.3 | -56.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 232 | D | 69.1 | Low | 55.4 | Low | 160 Ų | 160 | 125.9 Ų | 125.9 | 86% | 0.856 | 84% | 0.839 | S | S | * | * | cis | -171 | 150 | -17.6 | -148.8 | -13.2 | 0 | 0 | 0 | 105.3 | ||||
| 233 | S | 54.4 | Low | 56 | Low | 108 Ų | 108 | 126.2 Ų | 126.2 | 76% | 0.755 | 84% | 0.838 | S | S | * | * | trans | -79.9 | 156.7 | -177.8 | -61.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 234 | P | 61.7 | Low | 56.3 | Low | 118 Ų | 118 | 128.6 Ų | 128.6 | 77% | 0.766 | 85% | 0.851 | S | S | * | * | -155 | 147.6 | 95.9 | 37.1 | -18 | 0 | 0 | 0 | 116.8 | |||||
| 235 | S | 58.2 | Low | 57.7 | Low | 203 Ų | 203 | 126.5 Ų | 126.5 | 100% | 1.42 | 86% | 0.855 | S | S | * | * | trans | 179.6 | 0 | 137.8 | -75.8 | 0 | 0 | 0 | 0 | 110.3 |
Retrieved 235 of 235 residues in 69.2 ms
(Link to these results)