| 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 | 60.9 | Low | 80 | Confident | 193 Ų | 193 | 98.6 Ų | 98.6 | 95% | 0.951 | 60% | 0.603 | S | S | * | * | 0 | -34.7 | 0 | -95.8 | 80.1 | 178 | 0 | 0 | 114.9 | G3 R4 | M1-G3 PolarHBondContact O-N 3.45Å; M1-R4 PolarHBondContact O-N 3.34Å | |||
| 2 | V | 68.3 | Low | 81 | Confident | 126 Ų | 126 | 97 Ų | 97 | 76% | 0.764 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -55.6 | -42.7 | -168.1 | -178.4 | 0 | 0 | 0 | 0 | 114.8 | R4 N5 S6 | V2-R4 PolarHBondContact O-N 3.46Å; V2-N5 PolarHBondContact O-N 2.99Å; V2-S6 PolarHBondContact O-N 3.31Å |
| 3 | G | 72.7 | Confident | 81.7 | Confident | 53 Ų | 53 | 95.9 Ų | 95.9 | 55% | 0.546 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -69 | -25 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | M1 S6 A7 | M1-G3 PolarHBondContact O-N 3.45Å; G3-S6 PolarHBondContact O-OG 2.91Å; G3-A7 PolarHBondContact O-N 3.38Å |
| 4 | R | 77.9 | Confident | 82.4 | Confident | 192 Ų | 192 | 91.5 Ų | 91.5 | 73% | 0.725 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -75.3 | -38.1 | 176.8 | -105.4 | 162.1 | 58.3 | 176 | -0.7 | 111.3 | M1 V2 A7 I8 | M1-R4 PolarHBondContact O-N 3.34Å; V2-R4 PolarHBondContact O-N 3.46Å; R4-A7 PolarHBondContact O-N 2.89Å; R4-I8 WeakPolarHBondContact O-CD1 3.41Å; R4-I8 VanDerWaalsContact O-CG1 3.29Å; R4-I8 WeakPolarHBondContact O-CG1 3.27Å; R4-I8 PolarHBondContact O-N 3.44Å; R4-I8 VanDerWaalsContact O-N 3.16Å |
| 5 | N | 82 | Confident | 83.1 | Confident | 106 Ų | 106 | 89.7 Ų | 89.7 | 57% | 0.567 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -69.3 | -37.5 | 179.6 | -65 | 8 | 0 | 0 | 0 | 111.3 | V2 I8 A9 | V2-N5 PolarHBondContact O-N 2.99Å; N5-I8 PolarHBondContact O-N 3.4Å; N5-A9 WeakPolarHBondContact O-CB 3.42Å; N5-A9 PolarHBondContact O-N 3.49Å |
| 6 | S | 81.1 | Confident | 83.7 | Confident | 71 Ų | 71 | 91.9 Ų | 91.9 | 50% | 0.497 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67.2 | -40.6 | 176.6 | 59.4 | 0 | 0 | 0 | 0 | 112.5 | V2 G3 A9 A10 | V2-S6 PolarHBondContact O-N 3.31Å; G3-S6 PolarHBondContact O-OG 2.91Å; S6-A9 PolarHBondContact O-N 3.49Å; S6-A10 WeakPolarHBondContact O-CB 3.46Å; S6-A10 PolarHBondContact O-N 2.95Å |
| 7 | A | 85.2 | Confident | 84.3 | Confident | 65 Ų | 65 | 94.9 Ų | 94.9 | 54% | 0.537 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.8 | -42.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | G3 R4 G11 | G3-A7 PolarHBondContact O-N 3.38Å; R4-A7 PolarHBondContact O-N 2.89Å; A7-G11 PolarHBondContact O-N 3.49Å |
| 8 | I | 87.1 | Confident | 84.8 | Confident | 112 Ų | 112 | 95.4 Ų | 95.4 | 57% | 0.574 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.2 | -45.7 | 175.6 | -65 | 165.7 | 0 | 0 | 0 | 110.3 | R4 N5 A10 G11 V12 | R4-I8 WeakPolarHBondContact O-CD1 3.41Å; R4-I8 VanDerWaalsContact O-CG1 3.29Å; R4-I8 WeakPolarHBondContact O-CG1 3.27Å; R4-I8 PolarHBondContact O-N 3.44Å; R4-I8 VanDerWaalsContact O-N 3.16Å; N5-I8 PolarHBondContact O-N 3.4Å; I8-A10 PolarHBondContact O-N 3.04Å; I8-G11 PolarHBondContact O-N 3Å; I8-V12 HydrophobicContact CG2-CG2 4.47Å; I8-V12 WeakPolarHBondContact O-CG2 3.42Å; I8-V12 PolarHBondContact O-N 3.43Å |
| 9 | A | 86.3 | Confident | 85.2 | Confident | 54 Ų | 54 | 92.4 Ų | 92.4 | 45% | 0.446 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.1 | -44.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | N5 S6 G11 V12 C13 | N5-A9 WeakPolarHBondContact O-CB 3.42Å; N5-A9 PolarHBondContact O-N 3.49Å; S6-A9 PolarHBondContact O-N 3.49Å; A9-G11 VanDerWaalsContact C-N 3.34Å; A9-G11 PolarHBondContact O-N 3.44Å; A9-V12 PolarHBondContact O-N 3.37Å; A9-C13 WeakPolarHBondContact O-CB 3.36Å; A9-C13 PolarHBondContact O-N 3.27Å; A9-C13 PolarHBondContact O-SG 3.3Å; A9-C13 VanDerWaalsContact O-SG 3.32Å |
| 10 | A | 88.4 | Confident | 85.5 | Confident | 67 Ų | 67 | 95.2 Ų | 95.2 | 55% | 0.554 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -61.9 | -40.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S6 I8 G14 | S6-A10 WeakPolarHBondContact O-CB 3.46Å; S6-A10 PolarHBondContact O-N 2.95Å; I8-A10 PolarHBondContact O-N 3.04Å; A10-G14 PolarHBondContact O-N 3.04Å |
| 11 | G | 90.2 | Very high | 85.8 | Confident | 46 Ų | 46 | 93.4 Ų | 93.4 | 47% | 0.474 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.9 | -44.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A7 I8 A9 G14 A15 | A7-G11 PolarHBondContact O-N 3.49Å; I8-G11 PolarHBondContact O-N 3Å; A9-G11 VanDerWaalsContact C-N 3.34Å; A9-G11 PolarHBondContact O-N 3.44Å; G11-G14 PolarHBondContact O-N 3.19Å; G11-A15 WeakPolarHBondContact O-CB 3.46Å; G11-A15 PolarHBondContact O-N 3.21Å |
| 12 | V | 92 | Very high | 87.2 | Confident | 79 Ų | 79 | 89.5 Ų | 89.5 | 48% | 0.479 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.4 | -45.1 | 177.7 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | I8 A9 G14 A15 L16 | I8-V12 HydrophobicContact CG2-CG2 4.47Å; I8-V12 WeakPolarHBondContact O-CG2 3.42Å; I8-V12 PolarHBondContact O-N 3.43Å; A9-V12 PolarHBondContact O-N 3.37Å; V12-G14 PolarHBondContact O-N 3.16Å; V12-A15 PolarHBondContact O-N 3.37Å; V12-L16 HydrophobicContact CG1-CD1 4.18Å; V12-L16 WeakPolarHBondContact O-CG 3.33Å; V12-L16 PolarHBondContact O-N 3Å |
| 13 | C | 90.5 | Very high | 88.1 | Confident | 83 Ų | 83 | 90.1 Ų | 90.1 | 56% | 0.561 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.9 | -43 | 176.6 | -71.3 | 0 | 0 | 0 | 0 | 112.1 | A9 L16 F17 | A9-C13 WeakPolarHBondContact O-CB 3.36Å; A9-C13 PolarHBondContact O-N 3.27Å; A9-C13 PolarHBondContact O-SG 3.3Å; A9-C13 VanDerWaalsContact O-SG 3.32Å; C13-L16 PolarHBondContact O-N 2.96Å; C13-F17 WeakPolarHBondContact O-CB 3.47Å; C13-F17 PolarHBondContact O-N 3.17Å |
| 14 | G | 91.2 | Very high | 88.7 | Confident | 34 Ų | 34 | 92.7 Ų | 92.7 | 35% | 0.351 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.8 | -44 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A10 G11 V12 F17 I18 | A10-G14 PolarHBondContact O-N 3.04Å; G11-G14 PolarHBondContact O-N 3.19Å; V12-G14 PolarHBondContact O-N 3.16Å; G14-F17 PolarHBondContact O-N 3.46Å; G14-I18 VanDerWaalsContact O-CG1 3.32Å; G14-I18 WeakPolarHBondContact O-CG1 3.38Å; G14-I18 PolarHBondContact O-N 3.15Å |
| 15 | A | 93.1 | Very high | 89.2 | Confident | 65 Ų | 65 | 86.6 Ų | 86.6 | 54% | 0.537 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.7 | -41.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G11 V12 G19 | G11-A15 WeakPolarHBondContact O-CB 3.46Å; G11-A15 PolarHBondContact O-N 3.21Å; V12-A15 PolarHBondContact O-N 3.37Å; A15-G19 PolarHBondContact O-N 2.93Å |
| 16 | L | 92.9 | Very high | 89.2 | Confident | 124 Ų | 124 | 90.6 Ų | 90.6 | 65% | 0.649 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.6 | -41.9 | 175.4 | -70.5 | 175.4 | 0 | 0 | 0 | 111.9 | V12 C13 G19 Y20 | V12-L16 HydrophobicContact CG1-CD1 4.18Å; V12-L16 WeakPolarHBondContact O-CG 3.33Å; V12-L16 PolarHBondContact O-N 3Å; C13-L16 PolarHBondContact O-N 2.96Å; L16-G19 PolarHBondContact O-N 3.34Å; L16-Y20 WeakPolarHBondContact O-CB 3.47Å; L16-Y20 PolarHBondContact O-N 2.86Å |
| 17 | F | 92.7 | Very high | 89 | Confident | 143 Ų | 143 | 92.9 Ų | 92.9 | 63% | 0.627 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.1 | -47.2 | 177.3 | -174.3 | -101.1 | 0 | 0 | 0 | 111.7 | C13 G14 G19 Y20 C21 | C13-F17 WeakPolarHBondContact O-CB 3.47Å; C13-F17 PolarHBondContact O-N 3.17Å; G14-F17 PolarHBondContact O-N 3.46Å; F17-G19 PolarHBondContact O-N 2.98Å; F17-Y20 PolarHBondContact O-N 3.33Å; F17-C21 PolarHBondContact O-N 3.49Å; F17-C21 PolarHBondContact O-SG 3.41Å |
| 18 | I | 93.7 | Very high | 88.4 | Confident | 104 Ų | 104 | 98.9 Ų | 98.9 | 53% | 0.533 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.4 | -43.4 | 176.8 | -66.8 | 168.9 | 0 | 0 | 0 | 110.7 | G14 Y20 C21 I22 | G14-I18 VanDerWaalsContact O-CG1 3.32Å; G14-I18 WeakPolarHBondContact O-CG1 3.38Å; G14-I18 PolarHBondContact O-N 3.15Å; I18-Y20 VanDerWaalsContact C-N 3.32Å; I18-Y20 PolarHBondContact O-N 3.22Å; I18-C21 PolarHBondContact O-N 3.46Å; I18-I22 HydrophobicContact CG2-CD1 3.82Å; I18-I22 HydrophobicContact CG2-CG1 4.4Å; I18-I22 WeakPolarHBondContact O-CG1 3.44Å; I18-I22 PolarHBondContact O-N 3.29Å |
| 19 | G | 92.4 | Very high | 87.6 | Confident | 38 Ų | 38 | 102.9 Ų | 102.9 | 39% | 0.392 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -58.8 | -42.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | A15 L16 F17 I22 Y23 | A15-G19 PolarHBondContact O-N 2.93Å; L16-G19 PolarHBondContact O-N 3.34Å; F17-G19 PolarHBondContact O-N 2.98Å; G19-I22 PolarHBondContact O-N 3.49Å; G19-Y23 WeakPolarHBondContact O-CB 3.34Å; G19-Y23 PolarHBondContact O-N 2.9Å |
| 20 | Y | 90.7 | Very high | 86.6 | Confident | 149 Ų | 149 | 104 Ų | 104 | 58% | 0.584 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.4 | -42.3 | 175.2 | -175.6 | -103 | 0 | 0 | 0 | 112.2 | L16 F17 I18 I22 Y23 F24 | L16-Y20 WeakPolarHBondContact O-CB 3.47Å; L16-Y20 PolarHBondContact O-N 2.86Å; F17-Y20 PolarHBondContact O-N 3.33Å; I18-Y20 VanDerWaalsContact C-N 3.32Å; I18-Y20 PolarHBondContact O-N 3.22Å; Y20-I22 PolarHBondContact O-N 3.47Å; Y20-Y23 PolarHBondContact O-N 3.31Å; Y20-F24 WeakPolarHBondContact O-CB 3.49Å; Y20-F24 PolarHBondContact O-N 2.94Å |
| 21 | C | 91.8 | Very high | 85.5 | Confident | 58 Ų | 58 | 104.6 Ų | 104.6 | 39% | 0.392 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 174.6 | -69.3 | 0 | 0 | 0 | 0 | 112.1 | F17 I18 F24 D25 | F17-C21 PolarHBondContact O-N 3.49Å; F17-C21 PolarHBondContact O-SG 3.41Å; I18-C21 PolarHBondContact O-N 3.46Å; C21-F24 PolarHBondContact O-N 2.93Å; C21-D25 WeakPolarHBondContact O-CB 3.2Å; C21-D25 PolarHBondContact O-N 3.46Å |
| 22 | I | 90.2 | Very high | 84.3 | Confident | 111 Ų | 111 | 106.5 Ų | 106.5 | 57% | 0.569 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.8 | -43.9 | 177 | -67.2 | 168.3 | 0 | 0 | 0 | 110.8 | I18 G19 Y20 F24 D25 R26 | I18-I22 HydrophobicContact CG2-CD1 3.82Å; I18-I22 HydrophobicContact CG2-CG1 4.4Å; I18-I22 WeakPolarHBondContact O-CG1 3.44Å; I18-I22 PolarHBondContact O-N 3.29Å; G19-I22 PolarHBondContact O-N 3.49Å; Y20-I22 PolarHBondContact O-N 3.47Å; I22-F24 VanDerWaalsContact C-N 3.33Å; I22-F24 PolarHBondContact O-N 2.87Å; I22-D25 PolarHBondContact O-N 3.19Å; I22-R26 VanDerWaalsContact O-CB 3.29Å; I22-R26 WeakPolarHBondContact O-CB 3.38Å; I22-R26 PolarHBondContact O-N 2.99Å |
| 23 | Y | 87.9 | Confident | 83.2 | Confident | 139 Ų | 139 | 106.7 Ų | 106.7 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 176.9 | 172.3 | -103.4 | 0 | 0 | 0 | 111.5 | G19 Y20 R26 K27 | G19-Y23 WeakPolarHBondContact O-CB 3.34Å; G19-Y23 PolarHBondContact O-N 2.9Å; Y20-Y23 PolarHBondContact O-N 3.31Å; Y23-R26 PolarHBondContact O-N 2.91Å; Y23-K27 HydrophobicContact CE1-CD 4.47Å; Y23-K27 WeakPolarHBondContact O-CB 3.47Å; Y23-K27 PolarHBondContact O-N 3.16Å |
| 24 | F | 85.5 | Confident | 82 | Confident | 106 Ų | 106 | 109.3 Ų | 109.3 | 47% | 0.465 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -70.6 | -40.7 | 179.9 | -167.1 | -98.9 | 0 | 0 | 0 | 112.5 | Y20 C21 I22 R26 K27 R28 | Y20-F24 WeakPolarHBondContact O-CB 3.49Å; Y20-F24 PolarHBondContact O-N 2.94Å; C21-F24 PolarHBondContact O-N 2.93Å; I22-F24 VanDerWaalsContact C-N 3.33Å; I22-F24 PolarHBondContact O-N 2.87Å; F24-R26 VanDerWaalsContact C-N 3.32Å; F24-R26 PolarHBondContact O-N 3.38Å; F24-K27 PolarHBondContact O-N 3Å; F24-R28 VanDerWaalsContact O-CB 3.28Å; F24-R28 WeakPolarHBondContact O-CB 3.27Å; F24-R28 PolarHBondContact O-N 3.2Å |
| 25 | D | 87.8 | Confident | 81.1 | Confident | 64 Ų | 64 | 115 Ų | 115 | 34% | 0.342 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.4 | -39.6 | 174.2 | -172.8 | 56.7 | 0 | 0 | 0 | 111.1 | C21 I22 R28 R29 | C21-D25 WeakPolarHBondContact O-CB 3.2Å; C21-D25 PolarHBondContact O-N 3.46Å; I22-D25 PolarHBondContact O-N 3.19Å; D25-R28 PolarHBondContact O-N 3.33Å; D25-R29 VanDerWaalsContact CG-NE 3.33Å; D25-R29 VanDerWaalsContact O-CB 3.31Å; D25-R29 WeakPolarHBondContact O-CB 3.4Å; D25-R29 VanDerWaalsContact O-CG 3.28Å; D25-R29 WeakPolarHBondContact O-CG 3.19Å; D25-R29 PolarHBondContact O-N 2.85Å; D25-R29 IonicContact OD1-CZ 3.75Å; D25-R29 IonicContact OD1-NE 3.2Å; D25-R29 PolarHBondContact OD1-NE 3.44Å; D25-R29 IonicContact OD1-NH2 3.54Å; D25-R29 WeakPolarHBondContact OD2-CD 3.49Å; D25-R29 IonicContact OD2-CZ 3.52Å; D25-R29 IonicContact OD2-NE 3.68Å; D25-R29 PolarHBondContact OD2-NE 2.88Å; D25-R29 IonicContact OD2-NH1 3.44Å; D25-R29 PolarHBondContact OD2-NH1 3.44Å; D25-R29 IonicContact OD2-NH2 2.93Å; D25-R29 PolarHBondContact OD2-NH2 2.91Å |
| 26 | R | 82.2 | Confident | 80.1 | Confident | 190 Ų | 190 | 115.6 Ų | 115.6 | 72% | 0.717 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.5 | -47.4 | 173.8 | -172.1 | 174.2 | 177 | 166.3 | -0.9 | 111.6 | I22 Y23 F24 R28 R29 S30 | I22-R26 VanDerWaalsContact O-CB 3.29Å; I22-R26 WeakPolarHBondContact O-CB 3.38Å; I22-R26 PolarHBondContact O-N 2.99Å; Y23-R26 PolarHBondContact O-N 2.91Å; F24-R26 VanDerWaalsContact C-N 3.32Å; F24-R26 PolarHBondContact O-N 3.38Å; R26-R28 VanDerWaalsContact C-N 3.31Å; R26-R28 PolarHBondContact O-N 2.93Å; R26-R29 PolarHBondContact O-N 3.02Å; R26-S30 WeakPolarHBondContact O-CB 3.43Å; R26-S30 PolarHBondContact O-N 2.93Å; R26-S30 PolarHBondContact O-OG 3.48Å; R26-S30 VanDerWaalsContact O-OG 3.05Å |
| 27 | K | 78.1 | Confident | 79.2 | Confident | 119 Ų | 119 | 116.2 Ų | 116.2 | 52% | 0.517 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.5 | -38.9 | 177.3 | -174.6 | 171.6 | -178.6 | 175.2 | 0 | 112 | Y23 F24 S30 | Y23-K27 HydrophobicContact CE1-CD 4.47Å; Y23-K27 WeakPolarHBondContact O-CB 3.47Å; Y23-K27 PolarHBondContact O-N 3.16Å; F24-K27 PolarHBondContact O-N 3Å; K27-S30 PolarHBondContact O-OG 3.49Å |
| 28 | R | 72.4 | Confident | 78.5 | Confident | 191 Ų | 191 | 112.4 Ų | 112.4 | 72% | 0.721 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -71.3 | -35.7 | 177.8 | -165.6 | 177.4 | -176.1 | -176.2 | 2 | 112.4 | F24 D25 R26 | F24-R28 VanDerWaalsContact O-CB 3.28Å; F24-R28 WeakPolarHBondContact O-CB 3.27Å; F24-R28 PolarHBondContact O-N 3.2Å; D25-R28 PolarHBondContact O-N 3.33Å; R26-R28 VanDerWaalsContact C-N 3.31Å; R26-R28 PolarHBondContact O-N 2.93Å |
| 29 | R | 70.2 | Confident | 77.9 | Confident | 197 Ų | 197 | 115.6 Ų | 115.6 | 74% | 0.743 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -81.1 | -26.2 | 177.3 | -71.4 | 175.1 | -176.3 | -169.9 | -5.4 | 113.3 | D25 R26 D31 | D25-R29 VanDerWaalsContact CG-NE 3.33Å; D25-R29 VanDerWaalsContact O-CB 3.31Å; D25-R29 WeakPolarHBondContact O-CB 3.4Å; D25-R29 VanDerWaalsContact O-CG 3.28Å; D25-R29 WeakPolarHBondContact O-CG 3.19Å; D25-R29 PolarHBondContact O-N 2.85Å; D25-R29 IonicContact OD1-CZ 3.75Å; D25-R29 IonicContact OD1-NE 3.2Å; D25-R29 PolarHBondContact OD1-NE 3.44Å; D25-R29 IonicContact OD1-NH2 3.54Å; D25-R29 WeakPolarHBondContact OD2-CD 3.49Å; D25-R29 IonicContact OD2-CZ 3.52Å; D25-R29 IonicContact OD2-NE 3.68Å; D25-R29 PolarHBondContact OD2-NE 2.88Å; D25-R29 IonicContact OD2-NH1 3.44Å; D25-R29 PolarHBondContact OD2-NH1 3.44Å; D25-R29 IonicContact OD2-NH2 2.93Å; D25-R29 PolarHBondContact OD2-NH2 2.91Å; R26-R29 PolarHBondContact O-N 3.02Å; R29-D31 VanDerWaalsContact C-N 3.29Å; R29-D31 PolarHBondContact O-N 2.95Å |
| 30 | S | 64.5 | Low | 77.5 | Confident | 78 Ų | 78 | 119 Ų | 119 | 55% | 0.545 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 7.9 | 179.4 | 71.3 | 0 | 0 | 0 | 0 | 114.4 | R26 K27 P32 | R26-S30 WeakPolarHBondContact O-CB 3.43Å; R26-S30 PolarHBondContact O-N 2.93Å; R26-S30 PolarHBondContact O-OG 3.48Å; R26-S30 VanDerWaalsContact O-OG 3.05Å; K27-S30 PolarHBondContact O-OG 3.49Å; S30-P32 WeakPolarHBondContact O-CD 3.39Å |
| 31 | D | 66.2 | Low | 77 | Confident | 79 Ų | 79 | 120 Ų | 120 | 42% | 0.422 | 54% | 0.539 | S | S | . | . | trans | -97.9 | 87.2 | 178.6 | -145.1 | -31.6 | 0 | 0 | 0 | 110.2 | R29 N33 F34 | R29-D31 VanDerWaalsContact C-N 3.29Å; R29-D31 PolarHBondContact O-N 2.95Å; D31-N33 PolarHBondContact O-N 3.48Å; D31-F34 PolarHBondContact O-N 3.38Å | ||
| 32 | P | 65.2 | Low | 76.6 | Confident | 86 Ų | 86 | 124.9 Ų | 124.9 | 56% | 0.558 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -16.5 | -176.6 | 26.4 | -36 | 0 | 0 | 0 | 112.9 | S30 F34 K35 | S30-P32 WeakPolarHBondContact O-CD 3.39Å; P32-F34 VanDerWaalsContact C-N 3.26Å; P32-F34 PolarHBondContact O-N 3.44Å; P32-K35 PolarHBondContact O-N 2.89Å |
| 33 | N | 67.5 | Low | 76.2 | Confident | 82 Ų | 82 | 126.8 Ų | 126.8 | 44% | 0.439 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -70.8 | -15.7 | -178.5 | -72 | -37.2 | 0 | 0 | 0 | 113.6 | D31 R37 | D31-N33 PolarHBondContact O-N 3.48Å; N33-R37 VanDerWaalsContact O-CB 3.3Å; N33-R37 WeakPolarHBondContact O-CB 3.46Å; N33-R37 VanDerWaalsContact O-CG 3.24Å; N33-R37 WeakPolarHBondContact O-CG 3.35Å; N33-R37 PolarHBondContact O-N 3.31Å; N33-R37 PolarHBondContact O-NE 3.13Å |
| 34 | F | 66.7 | Low | 76 | Confident | 139 Ų | 139 | 127.4 Ų | 127.4 | 61% | 0.61 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -69.9 | -44.7 | 173.3 | -175.6 | -102.8 | 0 | 0 | 0 | 111.8 | D31 P32 N36 R37 L38 | D31-F34 PolarHBondContact O-N 3.38Å; P32-F34 VanDerWaalsContact C-N 3.26Å; P32-F34 PolarHBondContact O-N 3.44Å; F34-N36 VanDerWaalsContact C-N 3.33Å; F34-N36 PolarHBondContact O-N 3.15Å; F34-R37 PolarHBondContact O-N 3.08Å; F34-L38 HydrophobicContact CE1-CD2 4.27Å; F34-L38 HydrophobicContact CZ-CD1 4.18Å; F34-L38 WeakPolarHBondContact O-CB 3.48Å; F34-L38 PolarHBondContact O-N 3.33Å |
| 35 | K | 70.5 | Confident | 75.6 | Confident | 153 Ų | 153 | 128.7 Ų | 128.7 | 67% | 0.665 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.5 | -39.8 | 178 | -81.4 | -175.9 | 171.2 | 179 | 0 | 111.7 | P32 L38 R39 | P32-K35 PolarHBondContact O-N 2.89Å; K35-L38 PolarHBondContact O-N 3.32Å; K35-R39 WeakPolarHBondContact O-CB 3.43Å; K35-R39 WeakPolarHBondContact O-CG 3.35Å; K35-R39 PolarHBondContact O-N 2.74Å |
| 36 | N | 72.7 | Confident | 75.1 | Confident | 78 Ų | 78 | 132.7 Ų | 132.7 | 42% | 0.417 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.3 | -47.2 | 176.8 | -69.6 | -12 | 0 | 0 | 0 | 111.2 | F34 L38 R39 E40 | F34-N36 VanDerWaalsContact C-N 3.33Å; F34-N36 PolarHBondContact O-N 3.15Å; N36-L38 VanDerWaalsContact C-N 3.29Å; N36-L38 PolarHBondContact O-N 3.03Å; N36-R39 PolarHBondContact O-N 3.49Å; N36-E40 WeakPolarHBondContact O-CB 3.3Å; N36-E40 WeakPolarHBondContact O-CG 3.36Å; N36-E40 PolarHBondContact O-N 2.67Å |
| 37 | R | 74.4 | Confident | 74.8 | Confident | 136 Ų | 136 | 128.6 Ų | 128.6 | 51% | 0.513 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.4 | -37.1 | 175.1 | -76.1 | -175.8 | -89.5 | -138.6 | 3.7 | 112.7 | N33 F34 R41 | N33-R37 VanDerWaalsContact O-CB 3.3Å; N33-R37 WeakPolarHBondContact O-CB 3.46Å; N33-R37 VanDerWaalsContact O-CG 3.24Å; N33-R37 WeakPolarHBondContact O-CG 3.35Å; N33-R37 PolarHBondContact O-N 3.31Å; N33-R37 PolarHBondContact O-NE 3.13Å; F34-R37 PolarHBondContact O-N 3.08Å; R37-R41 WeakPolarHBondContact O-CB 3.24Å; R37-R41 VanDerWaalsContact O-CG 3.25Å; R37-R41 WeakPolarHBondContact O-CG 3.28Å; R37-R41 PolarHBondContact O-N 3.28Å |
| 38 | L | 78 | Confident | 74.4 | Confident | 63 Ų | 63 | 125.6 Ų | 125.6 | 33% | 0.33 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -70.5 | -40.3 | 177.1 | -152.9 | 73.3 | 0 | 0 | 0 | 111.9 | F34 K35 N36 R41 R42 | F34-L38 HydrophobicContact CE1-CD2 4.27Å; F34-L38 HydrophobicContact CZ-CD1 4.18Å; F34-L38 WeakPolarHBondContact O-CB 3.48Å; F34-L38 PolarHBondContact O-N 3.33Å; K35-L38 PolarHBondContact O-N 3.32Å; N36-L38 VanDerWaalsContact C-N 3.29Å; N36-L38 PolarHBondContact O-N 3.03Å; L38-R41 PolarHBondContact O-N 3Å; L38-R42 WeakPolarHBondContact O-CB 3.23Å; L38-R42 WeakPolarHBondContact O-CG 3.27Å; L38-R42 PolarHBondContact O-N 3.44Å |
| 39 | R | 81.6 | Confident | 74.1 | Confident | 171 Ų | 171 | 122.8 Ų | 122.8 | 65% | 0.645 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -64 | -43.6 | 173.6 | -77.7 | 177.8 | 175.7 | -178 | -2.5 | 111.6 | K35 N36 R42 K43 | K35-R39 WeakPolarHBondContact O-CB 3.43Å; K35-R39 WeakPolarHBondContact O-CG 3.35Å; K35-R39 PolarHBondContact O-N 2.74Å; N36-R39 PolarHBondContact O-N 3.49Å; R39-R42 PolarHBondContact O-N 3.29Å; R39-K43 WeakPolarHBondContact O-CG 3.22Å; R39-K43 PolarHBondContact O-N 3.39Å |
| 40 | E | 83.1 | Confident | 73.8 | Confident | 111 Ų | 111 | 120.2 Ų | 120.2 | 52% | 0.519 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.2 | -44.5 | 175.5 | -75.7 | 178.6 | -177.5 | 0 | 0 | 112 | N36 R42 K43 K44 | N36-E40 WeakPolarHBondContact O-CB 3.3Å; N36-E40 WeakPolarHBondContact O-CG 3.36Å; N36-E40 PolarHBondContact O-N 2.67Å; E40-R42 PolarHBondContact O-N 3.41Å; E40-K43 PolarHBondContact O-N 3.03Å; E40-K44 WeakPolarHBondContact O-CB 3.38Å; E40-K44 WeakPolarHBondContact O-CG 3.42Å; E40-K44 PolarHBondContact O-N 3.01Å |
| 41 | R | 81.2 | Confident | 73.8 | Confident | 169 Ų | 169 | 127.3 Ų | 127.3 | 64% | 0.638 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -59.8 | -43.8 | 174.2 | -76.1 | 177.5 | -177.7 | -161.7 | 0.2 | 111.8 | R37 L38 K44 Q45 | R37-R41 WeakPolarHBondContact O-CB 3.24Å; R37-R41 VanDerWaalsContact O-CG 3.25Å; R37-R41 WeakPolarHBondContact O-CG 3.28Å; R37-R41 PolarHBondContact O-N 3.28Å; L38-R41 PolarHBondContact O-N 3Å; R41-K44 PolarHBondContact O-N 3.44Å; R41-Q45 WeakPolarHBondContact O-CB 3.47Å; R41-Q45 VanDerWaalsContact O-CG 3.31Å; R41-Q45 WeakPolarHBondContact O-CG 3.32Å; R41-Q45 PolarHBondContact O-N 3.09Å |
| 42 | R | 82.3 | Confident | 73.5 | Confident | 161 Ų | 161 | 126.1 Ų | 126.1 | 61% | 0.608 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.9 | -39.7 | 175.7 | -73.8 | 179.9 | -176.8 | -169.2 | 1.1 | 112.5 | L38 R39 E40 Q45 K46 | L38-R42 WeakPolarHBondContact O-CB 3.23Å; L38-R42 WeakPolarHBondContact O-CG 3.27Å; L38-R42 PolarHBondContact O-N 3.44Å; R39-R42 PolarHBondContact O-N 3.29Å; E40-R42 PolarHBondContact O-N 3.41Å; R42-Q45 PolarHBondContact O-N 3.47Å; R42-K46 WeakPolarHBondContact O-CB 3.19Å; R42-K46 WeakPolarHBondContact O-CG 3.38Å; R42-K46 PolarHBondContact O-N 2.97Å |
| 43 | K | 83.1 | Confident | 73 | Confident | 150 Ų | 150 | 123.3 Ų | 123.3 | 65% | 0.652 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.6 | -45.9 | 174.1 | -76.8 | -175.1 | 176.6 | -171.4 | 0 | 111.4 | R39 E40 K46 L47 | R39-K43 WeakPolarHBondContact O-CG 3.22Å; R39-K43 PolarHBondContact O-N 3.39Å; E40-K43 PolarHBondContact O-N 3.03Å; K43-K46 PolarHBondContact O-N 3.46Å; K43-L47 WeakPolarHBondContact O-CB 3.34Å; K43-L47 WeakPolarHBondContact O-CG 3.35Å; K43-L47 PolarHBondContact O-N 3.17Å |
| 44 | K | 82.5 | Confident | 72.3 | Confident | 152 Ų | 152 | 125.7 Ų | 125.7 | 66% | 0.661 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62.8 | -41.2 | 176.1 | -72.2 | -177.8 | 179.4 | -175.3 | 0 | 112 | E40 R41 A48 | E40-K44 WeakPolarHBondContact O-CB 3.38Å; E40-K44 WeakPolarHBondContact O-CG 3.42Å; E40-K44 PolarHBondContact O-N 3.01Å; R41-K44 PolarHBondContact O-N 3.44Å; K44-A48 VanDerWaalsContact O-CB 3.22Å; K44-A48 WeakPolarHBondContact O-CB 3.31Å; K44-A48 PolarHBondContact O-N 3.25Å |
| 45 | Q | 77.1 | Confident | 71.6 | Confident | 133 Ų | 133 | 122.3 Ų | 122.3 | 62% | 0.621 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.5 | -40.5 | 174.8 | -77 | 176.6 | -7.9 | 0 | 0 | 112.5 | R41 R42 A48 K49 | R41-Q45 WeakPolarHBondContact O-CB 3.47Å; R41-Q45 VanDerWaalsContact O-CG 3.31Å; R41-Q45 WeakPolarHBondContact O-CG 3.32Å; R41-Q45 PolarHBondContact O-N 3.09Å; R42-Q45 PolarHBondContact O-N 3.47Å; Q45-A48 PolarHBondContact O-N 3.14Å; Q45-K49 WeakPolarHBondContact O-CB 3.39Å; Q45-K49 PolarHBondContact O-N 2.99Å |
| 46 | K | 77 | Confident | 71 | Confident | 149 Ų | 149 | 121.1 Ų | 121.1 | 65% | 0.648 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.5 | -48.6 | 174.3 | -78.5 | -173 | 174.7 | -160.6 | 0 | 111.5 | R42 K43 A48 K49 E50 | R42-K46 WeakPolarHBondContact O-CB 3.19Å; R42-K46 WeakPolarHBondContact O-CG 3.38Å; R42-K46 PolarHBondContact O-N 2.97Å; K43-K46 PolarHBondContact O-N 3.46Å; K46-A48 VanDerWaalsContact C-N 3.33Å; K46-A48 PolarHBondContact O-N 3.03Å; K46-K49 CarbonylContact O-C 3.59Å; K46-K49 PolarHBondContact O-N 2.9Å; K46-K49 VanDerWaalsContact O-N 3.15Å; K46-E50 WeakPolarHBondContact O-CB 3.38Å; K46-E50 WeakPolarHBondContact O-CG 3.38Å; K46-E50 PolarHBondContact O-N 3Å |
| 47 | L | 76.5 | Confident | 70.5 | Confident | 103 Ų | 103 | 121.4 Ų | 121.4 | 54% | 0.539 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.7 | -38 | 176 | -74.1 | 169.8 | 0 | 0 | 0 | 112.4 | K43 R51 | K43-L47 WeakPolarHBondContact O-CB 3.34Å; K43-L47 WeakPolarHBondContact O-CG 3.35Å; K43-L47 PolarHBondContact O-N 3.17Å; L47-R51 VanDerWaalsContact O-CB 3.26Å; L47-R51 WeakPolarHBondContact O-CB 3.27Å; L47-R51 WeakPolarHBondContact O-CG 3.45Å; L47-R51 PolarHBondContact O-N 3.35Å |
| 48 | A | 70.6 | Confident | 69.9 | Low | 57 Ų | 57 | 116 Ų | 116 | 47% | 0.471 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.6 | -37.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K44 Q45 K46 R51 A52 | K44-A48 VanDerWaalsContact O-CB 3.22Å; K44-A48 WeakPolarHBondContact O-CB 3.31Å; K44-A48 PolarHBondContact O-N 3.25Å; Q45-A48 PolarHBondContact O-N 3.14Å; K46-A48 VanDerWaalsContact C-N 3.33Å; K46-A48 PolarHBondContact O-N 3.03Å; A48-R51 PolarHBondContact O-N 2.69Å; A48-A52 WeakPolarHBondContact O-CB 3.35Å; A48-A52 PolarHBondContact O-N 3.45Å |
| 49 | K | 64.9 | Low | 69.3 | Low | 132 Ų | 132 | 118.1 Ų | 118.1 | 57% | 0.574 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -71.4 | -35 | 176.8 | -173 | 171.7 | 179.2 | 178.1 | 0 | 112.2 | Q45 K46 S55 | Q45-K49 WeakPolarHBondContact O-CB 3.39Å; Q45-K49 PolarHBondContact O-N 2.99Å; K46-K49 CarbonylContact O-C 3.59Å; K46-K49 PolarHBondContact O-N 2.9Å; K46-K49 VanDerWaalsContact O-N 3.15Å; K49-S55 WeakPolarHBondContact CE-OG 3.32Å; K49-S55 WeakPolarHBondContact CG-OG 3.4Å |
| 50 | E | 65 | Low | 68.6 | Low | 142 Ų | 142 | 115.7 Ų | 115.7 | 66% | 0.664 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.4 | -48 | 170.1 | -75 | 176.8 | 163.9 | 0 | 0 | 111 | K46 A52 G53 | K46-E50 WeakPolarHBondContact O-CB 3.38Å; K46-E50 WeakPolarHBondContact O-CG 3.38Å; K46-E50 PolarHBondContact O-N 3Å; E50-A52 VanDerWaalsContact C-N 3.26Å; E50-A52 PolarHBondContact O-N 3.24Å; E50-G53 PolarHBondContact O-N 2.97Å; E50-G53 VanDerWaalsContact O-N 3.12Å |
| 51 | R | 64.3 | Low | 68 | Low | 227 Ų | 227 | 119.4 Ų | 119.4 | 86% | 0.857 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.2 | -29.7 | 175.1 | -83.5 | -174.7 | 161.8 | 177.2 | -5.2 | 113.9 | L47 A48 G53 | L47-R51 VanDerWaalsContact O-CB 3.26Å; L47-R51 WeakPolarHBondContact O-CB 3.27Å; L47-R51 WeakPolarHBondContact O-CG 3.45Å; L47-R51 PolarHBondContact O-N 3.35Å; A48-R51 PolarHBondContact O-N 2.69Å; R51-G53 PolarHBondContact O-N 3.46Å |
| 52 | A | 58.7 | Low | 68 | Low | 55 Ų | 55 | 115.1 Ų | 115.1 | 46% | 0.455 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72 | -9.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | A48 E50 L54 | A48-A52 WeakPolarHBondContact O-CB 3.35Å; A48-A52 PolarHBondContact O-N 3.45Å; E50-A52 VanDerWaalsContact C-N 3.26Å; E50-A52 PolarHBondContact O-N 3.24Å; A52-L54 HydrophobicContact CB-CD1 4.36Å; A52-L54 PolarHBondContact O-N 3.24Å |
| 53 | G | 54.8 | Low | 67.9 | Low | 27 Ų | 27 | 111.1 Ų | 111.1 | 28% | 0.278 | 56% | 0.562 | S | S | . | * | trans | 62.7 | -14.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | E50 R51 S55 K56 | E50-G53 PolarHBondContact O-N 2.97Å; E50-G53 VanDerWaalsContact O-N 3.12Å; R51-G53 PolarHBondContact O-N 3.46Å; G53-S55 VanDerWaalsContact C-N 3.3Å; G53-S55 PolarHBondContact O-N 2.97Å; G53-K56 PolarHBondContact O-N 3.4Å | ||
| 54 | L | 53.7 | Low | 68 | Low | 131 Ų | 131 | 111.3 Ų | 111.3 | 69% | 0.686 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -9.2 | -164.7 | -94.5 | 149.8 | 0 | 0 | 0 | 114.9 | A52 L57 | A52-L54 HydrophobicContact CB-CD1 4.36Å; A52-L54 PolarHBondContact O-N 3.24Å; L54-L57 HydrophobicContact CD2-CD1 4.29Å |
| 55 | S | 51.2 | Low | 68.1 | Low | 69 Ų | 69 | 105.4 Ų | 105.4 | 48% | 0.483 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 3.5 | -178.6 | 49.8 | 0 | 0 | 0 | 0 | 115 | K49 G53 | K49-S55 WeakPolarHBondContact CE-OG 3.32Å; K49-S55 WeakPolarHBondContact CG-OG 3.4Å; G53-S55 VanDerWaalsContact C-N 3.3Å; G53-S55 PolarHBondContact O-N 2.97Å |
| 56 | K | 59 | Low | 68.4 | Low | 127 Ų | 127 | 100.3 Ų | 100.3 | 55% | 0.552 | 52% | 0.523 | S | S | * | . | trans | -110.1 | 0.7 | 171.2 | -90.6 | -165.9 | 174.8 | -166.4 | 0 | 113.5 | G53 P58 F69 E72 | G53-K56 PolarHBondContact O-N 3.4Å; K56-P58 VanDerWaalsContact O-CD 3.27Å; K56-P58 WeakPolarHBondContact O-CD 3.18Å; K56-F69 HydrophobicContact CB-CE2 4.1Å; K56-E72 IonicContact NZ-OE1 2.95Å; K56-E72 PolarHBondContact NZ-OE1 2.71Å | ||
| 57 | L | 61.6 | Low | 68.7 | Low | 85 Ų | 85 | 99.1 Ų | 99.1 | 45% | 0.445 | 52% | 0.52 | S | S | . | . | trans | -57.2 | 117.4 | 175.3 | -69.6 | 175 | 0 | 0 | 0 | 107.7 | L54 F69 V99 | L54-L57 HydrophobicContact CD2-CD1 4.29Å; L57-F69 HydrophobicContact CD2-CE1 4.36Å; L57-F69 HydrophobicContact CD2-CZ 4.4Å; L57-V99 HydrophobicContact CD2-CG1 4.23Å | ||
| 58 | P | 61.7 | Low | 69.2 | Low | 22 Ų | 22 | 101.3 Ų | 101.3 | 14% | 0.143 | 53% | 0.525 | C | S | . | . | trans | -59.8 | 158.9 | 176.9 | 26.6 | -34.2 | 0 | 0 | 0 | 108.7 | K56 L60 A65 V66 F69 | K56-P58 VanDerWaalsContact O-CD 3.27Å; K56-P58 WeakPolarHBondContact O-CD 3.18Å; P58-L60 PolarHBondContact O-N 3.15Å; P58-A65 HydrophobicContact CB-CB 3.67Å; P58-V66 HydrophobicContact CG-CG2 4.06Å; P58-F69 HydrophobicContact CG-CB 3.69Å; P58-F69 HydrophobicContact CG-CD1 4.35Å; P58-F69 HydrophobicContact CG-CG 3.98Å | ||
| 59 | D | 64.9 | Low | 70.1 | Confident | 107 Ų | 107 | 99.2 Ų | 99.2 | 57% | 0.572 | 51% | 0.505 | S | S | * | . | trans | -56.4 | 111.1 | 167.7 | -171.1 | -6 | 0 | 0 | 0 | 107.3 | K61 D62 | D59-K61 PolarHBondContact O-N 3.17Å; D59-K61 WeakPolarHBondContact OD1-CB 3.3Å; D59-K61 WeakPolarHBondContact OD1-CG 3.45Å; D59-K61 PolarHBondContact OD1-N 2.95Å; D59-D62 PolarHBondContact O-N 2.88Å | ||
| 60 | L | 67.5 | Low | 71.2 | Confident | 121 Ų | 121 | 95.1 Ų | 95.1 | 63% | 0.634 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -9.3 | -174.4 | -61.9 | 176.3 | 0 | 0 | 0 | 111.9 | P58 V66 | P58-L60 PolarHBondContact O-N 3.15Å; L60-V66 HydrophobicContact CD2-CG2 4.21Å |
| 61 | K | 70.7 | Confident | 72.3 | Confident | 189 Ų | 189 | 92.5 Ų | 92.5 | 82% | 0.822 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -23.2 | 173.5 | -63.8 | 179.2 | 178.6 | 178.8 | 0 | 113.3 | D59 | D59-K61 PolarHBondContact O-N 3.17Å; D59-K61 WeakPolarHBondContact OD1-CB 3.3Å; D59-K61 WeakPolarHBondContact OD1-CG 3.45Å; D59-K61 PolarHBondContact OD1-N 2.95Å |
| 62 | D | 80.3 | Confident | 73.6 | Confident | 78 Ų | 78 | 85 Ų | 85 | 42% | 0.417 | 45% | 0.453 | S | S | . | . | trans | -97.5 | 104.2 | 178.9 | -175.1 | 0.6 | 0 | 0 | 0 | 110.4 | D59 E64 A65 V66 | D59-D62 PolarHBondContact O-N 2.88Å; D62-E64 PolarHBondContact O-N 3.47Å; D62-E64 WeakPolarHBondContact OD1-CB 3.47Å; D62-E64 PolarHBondContact OD1-N 3.33Å; D62-A65 HydrophobicContact CB-CB 3.88Å; D62-A65 PolarHBondContact O-N 3.17Å; D62-V66 WeakPolarHBondContact O-CG2 3.49Å; D62-V66 PolarHBondContact O-N 3.01Å | ||
| 63 | A | 81.9 | Confident | 75 | Confident | 77 Ų | 77 | 82.8 Ų | 82.8 | 64% | 0.636 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -59.9 | -32.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q67 | A63-Q67 WeakPolarHBondContact O-CB 3.22Å; A63-Q67 PolarHBondContact O-N 3.48Å |
| 64 | E | 84.4 | Confident | 76.6 | Confident | 154 Ų | 154 | 82.5 Ų | 82.5 | 72% | 0.72 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -70.3 | -42.2 | 178.6 | -168.7 | 179.2 | 172 | 0 | 0 | 110.6 | D62 Q67 K68 | D62-E64 PolarHBondContact O-N 3.47Å; D62-E64 WeakPolarHBondContact OD1-CB 3.47Å; D62-E64 PolarHBondContact OD1-N 3.33Å; E64-Q67 PolarHBondContact O-N 3.32Å; E64-K68 WeakPolarHBondContact O-CB 3.41Å; E64-K68 PolarHBondContact O-N 3.5Å |
| 65 | A | 83.4 | Confident | 78.4 | Confident | 29 Ų | 29 | 82.4 Ų | 82.4 | 24% | 0.24 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -65.2 | -41.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P58 D62 K68 F69 | P58-A65 HydrophobicContact CB-CB 3.67Å; D62-A65 HydrophobicContact CB-CB 3.88Å; D62-A65 PolarHBondContact O-N 3.17Å; A65-K68 PolarHBondContact O-N 3.03Å; A65-F69 WeakPolarHBondContact O-CB 3.49Å; A65-F69 PolarHBondContact O-N 3.35Å |
| 66 | V | 83.8 | Confident | 80.3 | Confident | 26 Ų | 26 | 81.8 Ų | 81.8 | 16% | 0.158 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -62.3 | -46.1 | 174.5 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | P58 L60 D62 K68 F69 F70 V99 | P58-V66 HydrophobicContact CG-CG2 4.06Å; L60-V66 HydrophobicContact CD2-CG2 4.21Å; D62-V66 WeakPolarHBondContact O-CG2 3.49Å; D62-V66 PolarHBondContact O-N 3.01Å; V66-K68 PolarHBondContact O-N 3.36Å; V66-F69 PolarHBondContact O-N 3.31Å; V66-F70 VanDerWaalsContact O-CB 3.28Å; V66-F70 WeakPolarHBondContact O-CB 3.42Å; V66-F70 PolarHBondContact O-N 3.22Å; V66-V99 HydrophobicContact CG1-CB 4.2Å |
| 67 | Q | 84.7 | Confident | 81.7 | Confident | 124 Ų | 124 | 75.7 Ų | 75.7 | 58% | 0.579 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64.4 | -40.9 | 178.6 | -174.4 | 176.6 | 3.8 | 0 | 0 | 111.9 | A63 E64 F70 L71 | A63-Q67 WeakPolarHBondContact O-CB 3.22Å; A63-Q67 PolarHBondContact O-N 3.48Å; E64-Q67 PolarHBondContact O-N 3.32Å; Q67-F70 WeakPolarHBondContact O-CB 3.35Å; Q67-F70 PolarHBondContact O-N 3.38Å; Q67-L71 HydrophobicContact CG-CD1 4.44Å; Q67-L71 WeakPolarHBondContact O-CG 3.47Å; Q67-L71 PolarHBondContact O-N 3.14Å |
| 68 | K | 87.2 | Confident | 82.9 | Confident | 148 Ų | 148 | 76.1 Ų | 76.1 | 64% | 0.643 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64.1 | -45.4 | 176.2 | -175.8 | 178.3 | 177.6 | 179.7 | 0 | 111.7 | E64 A65 V66 F70 L71 E72 | E64-K68 WeakPolarHBondContact O-CB 3.41Å; E64-K68 PolarHBondContact O-N 3.5Å; A65-K68 PolarHBondContact O-N 3.03Å; V66-K68 PolarHBondContact O-N 3.36Å; K68-F70 VanDerWaalsContact C-N 3.33Å; K68-L71 PolarHBondContact O-N 3.12Å; K68-E72 WeakPolarHBondContact O-CB 3.47Å; K68-E72 PolarHBondContact O-N 3.06Å |
| 69 | F | 87.8 | Confident | 84.3 | Confident | 13 Ų | 13 | 80.2 Ų | 80.2 | 6% | 0.057 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62 | -42.9 | 175.9 | 179.1 | -98.2 | 0 | 0 | 0 | 111.4 | K56 L57 P58 A65 V66 L71 E72 E73 V99 | K56-F69 HydrophobicContact CB-CE2 4.1Å; L57-F69 HydrophobicContact CD2-CE1 4.36Å; L57-F69 HydrophobicContact CD2-CZ 4.4Å; P58-F69 HydrophobicContact CG-CB 3.69Å; P58-F69 HydrophobicContact CG-CD1 4.35Å; P58-F69 HydrophobicContact CG-CG 3.98Å; A65-F69 WeakPolarHBondContact O-CB 3.49Å; A65-F69 PolarHBondContact O-N 3.35Å; V66-F69 PolarHBondContact O-N 3.31Å; F69-L71 PolarHBondContact O-N 3.31Å; F69-E72 PolarHBondContact O-N 3.49Å; F69-E73 HydrophobicContact CD1-CG 4.09Å; F69-E73 HydrophobicContact CD2-CG 4.26Å; F69-E73 HydrophobicContact CE1-CG 3.64Å; F69-E73 HydrophobicContact CE2-CG 3.81Å; F69-E73 HydrophobicContact CG-CG 4.39Å; F69-E73 HydrophobicContact CZ-CG 3.49Å; F69-E73 VanDerWaalsContact CZ-CG 3.49Å; F69-E73 WeakPolarHBondContact O-CB 3.36Å; F69-E73 WeakPolarHBondContact O-CG 3.37Å; F69-E73 PolarHBondContact O-N 2.95Å; F69-V99 HydrophobicContact CD1-CB 4.43Å; F69-V99 HydrophobicContact CD1-CG1 3.76Å; F69-V99 HydrophobicContact CD1-CG2 3.99Å; F69-V99 HydrophobicContact CE1-CG1 3.7Å; F69-V99 HydrophobicContact CE1-CG2 4.34Å |
| 70 | F | 88.4 | Confident | 85.5 | Confident | 47 Ų | 47 | 76.3 Ų | 76.3 | 21% | 0.206 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -55.9 | -49.9 | 174.6 | 172.8 | -99.3 | 0 | 0 | 0 | 111.7 | V66 Q67 K68 E73 I74 A96 V99 L106 | V66-F70 VanDerWaalsContact O-CB 3.28Å; V66-F70 WeakPolarHBondContact O-CB 3.42Å; V66-F70 PolarHBondContact O-N 3.22Å; Q67-F70 WeakPolarHBondContact O-CB 3.35Å; Q67-F70 PolarHBondContact O-N 3.38Å; K68-F70 VanDerWaalsContact C-N 3.33Å; F70-E73 PolarHBondContact O-N 3.4Å; F70-I74 HydrophobicContact CD2-CG1 4.35Å; F70-I74 HydrophobicContact CE1-CG1 4.15Å; F70-I74 HydrophobicContact CE2-CD1 4.09Å; F70-I74 HydrophobicContact CE2-CG1 3.83Å; F70-I74 HydrophobicContact CZ-CD1 4.17Å; F70-I74 HydrophobicContact CZ-CG1 3.73Å; F70-I74 VanDerWaalsContact O-CG1 3.3Å; F70-I74 WeakPolarHBondContact O-CG1 3.15Å; F70-I74 PolarHBondContact O-N 3.42Å; F70-A96 HydrophobicContact CD2-CB 3.85Å; F70-A96 WeakPolarHBondContact CD2-O 3.43Å; F70-A96 HydrophobicContact CE2-CB 3.94Å; F70-V99 HydrophobicContact CB-CG2 4.15Å; F70-V99 HydrophobicContact CD2-CG2 4.29Å; F70-L106 HydrophobicContact CE2-CD1 4.03Å; F70-L106 HydrophobicContact CE2-CD2 3.5Å; F70-L106 VanDerWaalsContact CE2-CD2 3.5Å; F70-L106 HydrophobicContact CE2-CG 4.41Å; F70-L106 HydrophobicContact CZ-CD1 3.66Å; F70-L106 HydrophobicContact CZ-CD2 4.03Å; F70-L106 HydrophobicContact CZ-CG 4.49Å |
| 71 | L | 89.1 | Confident | 86.5 | Confident | 86 Ų | 86 | 71.5 Ų | 71.5 | 45% | 0.45 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65 | -40.8 | 178.7 | -69.4 | 172.6 | 0 | 0 | 0 | 112.4 | Q67 K68 F69 I74 Q75 | Q67-L71 HydrophobicContact CG-CD1 4.44Å; Q67-L71 WeakPolarHBondContact O-CG 3.47Å; Q67-L71 PolarHBondContact O-N 3.14Å; K68-L71 PolarHBondContact O-N 3.12Å; F69-L71 PolarHBondContact O-N 3.31Å; L71-I74 PolarHBondContact O-N 3.34Å; L71-Q75 WeakPolarHBondContact O-CB 3.43Å; L71-Q75 VanDerWaalsContact O-CG 3.27Å; L71-Q75 WeakPolarHBondContact O-CG 3.43Å; L71-Q75 PolarHBondContact O-N 3.01Å |
| 72 | E | 90.3 | Very high | 87.3 | Confident | 71 Ų | 71 | 66.9 Ų | 66.9 | 33% | 0.332 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62 | -46.8 | 177.2 | -172.8 | 179.7 | 160.3 | 0 | 0 | 111.3 | K56 K68 F69 Q75 L76 | K56-E72 IonicContact NZ-OE1 2.95Å; K56-E72 PolarHBondContact NZ-OE1 2.71Å; K68-E72 WeakPolarHBondContact O-CB 3.47Å; K68-E72 PolarHBondContact O-N 3.06Å; F69-E72 PolarHBondContact O-N 3.49Å; E72-Q75 PolarHBondContact O-N 3.21Å; E72-L76 HydrophobicContact CG-CD1 4.05Å; E72-L76 WeakPolarHBondContact O-CB 3.48Å; E72-L76 VanDerWaalsContact O-CG 3.27Å; E72-L76 WeakPolarHBondContact O-CG 3.4Å; E72-L76 PolarHBondContact O-N 3.25Å |
| 73 | E | 89.1 | Confident | 87.8 | Confident | 8 Ų | 8 | 68.7 Ų | 68.7 | 4% | 0.037 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.2 | -38.4 | 179.2 | -71 | -70.8 | 134.8 | 0 | 0 | 112.3 | F69 F70 G77 H92 N95 A96 | F69-E73 HydrophobicContact CD1-CG 4.09Å; F69-E73 HydrophobicContact CD2-CG 4.26Å; F69-E73 HydrophobicContact CE1-CG 3.64Å; F69-E73 HydrophobicContact CE2-CG 3.81Å; F69-E73 HydrophobicContact CG-CG 4.39Å; F69-E73 HydrophobicContact CZ-CG 3.49Å; F69-E73 VanDerWaalsContact CZ-CG 3.49Å; F69-E73 WeakPolarHBondContact O-CB 3.36Å; F69-E73 WeakPolarHBondContact O-CG 3.37Å; F69-E73 PolarHBondContact O-N 2.95Å; F70-E73 PolarHBondContact O-N 3.4Å; E73-G77 PolarHBondContact O-N 3.17Å; E73-H92 IonicContact OE1-CE1 3.78Å; E73-H92 IonicContact OE1-ND1 2.74Å; E73-H92 PolarHBondContact OE1-ND1 2.87Å; E73-H92 WeakPolarHBondContact OE2-CA 3.47Å; E73-H92 IonicContact OE2-CE1 2.67Å; E73-H92 IonicContact OE2-CG 3.49Å; E73-H92 IonicContact OE2-ND1 3.97Å; E73-H92 PolarHBondContact OE2-ND1 3.19Å; E73-N95 HydrophobicContact CG-CB 4.25Å; E73-N95 VanDerWaalsContact OE2-CB 3.31Å; E73-N95 WeakPolarHBondContact OE2-CB 3.31Å; E73-N95 PolarHBondContact OE2-ND2 3.35Å; E73-A96 HydrophobicContact CB-CB 3.89Å |
| 74 | I | 88.9 | Confident | 88.1 | Confident | 21 Ų | 21 | 66.8 Ų | 66.8 | 11% | 0.108 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.6 | -48 | 174 | -67.5 | -64.3 | 0 | 0 | 0 | 110.8 | F70 L71 L76 G77 E78 L93 A96 | F70-I74 HydrophobicContact CD2-CG1 4.35Å; F70-I74 HydrophobicContact CE1-CG1 4.15Å; F70-I74 HydrophobicContact CE2-CD1 4.09Å; F70-I74 HydrophobicContact CE2-CG1 3.83Å; F70-I74 HydrophobicContact CZ-CD1 4.17Å; F70-I74 HydrophobicContact CZ-CG1 3.73Å; F70-I74 VanDerWaalsContact O-CG1 3.3Å; F70-I74 WeakPolarHBondContact O-CG1 3.15Å; F70-I74 PolarHBondContact O-N 3.42Å; L71-I74 PolarHBondContact O-N 3.34Å; I74-L76 PolarHBondContact O-N 3.06Å; I74-G77 WeakPolarHBondContact O-CA 3.34Å; I74-G77 PolarHBondContact O-N 3.04Å; I74-E78 HydrophobicContact CG2-CG 4.39Å; I74-E78 WeakPolarHBondContact O-CG 3.39Å; I74-E78 PolarHBondContact O-N 3.29Å; I74-L93 HydrophobicContact CD1-CD2 3.61Å; I74-A96 HydrophobicContact CD1-CB 3.52Å; I74-A96 HydrophobicContact CG1-CB 3.79Å |
| 75 | Q | 90.4 | Very high | 88.2 | Confident | 129 Ų | 129 | 63 Ų | 63 | 60% | 0.603 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.3 | -46.3 | -180 | -75.9 | 178 | -7 | 0 | 0 | 112.2 | L71 E72 G77 E78 E79 | L71-Q75 WeakPolarHBondContact O-CB 3.43Å; L71-Q75 VanDerWaalsContact O-CG 3.27Å; L71-Q75 WeakPolarHBondContact O-CG 3.43Å; L71-Q75 PolarHBondContact O-N 3.01Å; E72-Q75 PolarHBondContact O-N 3.21Å; Q75-G77 VanDerWaalsContact C-N 3.3Å; Q75-G77 PolarHBondContact O-N 3.44Å; Q75-E78 PolarHBondContact O-N 3.48Å; Q75-E79 WeakPolarHBondContact O-CB 3.26Å; Q75-E79 PolarHBondContact O-N 2.69Å |
| 76 | L | 90.4 | Very high | 88.4 | Confident | 55 Ų | 55 | 67.1 Ų | 67.1 | 29% | 0.288 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62 | -40.7 | 175.3 | -72 | 172.6 | 0 | 0 | 0 | 111.3 | E72 I74 E79 L80 | E72-L76 HydrophobicContact CG-CD1 4.05Å; E72-L76 WeakPolarHBondContact O-CB 3.48Å; E72-L76 VanDerWaalsContact O-CG 3.27Å; E72-L76 WeakPolarHBondContact O-CG 3.4Å; E72-L76 PolarHBondContact O-N 3.25Å; I74-L76 PolarHBondContact O-N 3.06Å; L76-E79 PolarHBondContact O-N 2.91Å; L76-L80 WeakPolarHBondContact O-CB 3.18Å; L76-L80 WeakPolarHBondContact O-CD1 3.44Å; L76-L80 WeakPolarHBondContact O-CG 3.38Å; L76-L80 PolarHBondContact O-N 3.15Å |
| 77 | G | 89.2 | Confident | 88.5 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -56.5 | -53.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | E73 I74 Q75 E79 L80 L81 | E73-G77 PolarHBondContact O-N 3.17Å; I74-G77 WeakPolarHBondContact O-CA 3.34Å; I74-G77 PolarHBondContact O-N 3.04Å; Q75-G77 VanDerWaalsContact C-N 3.3Å; Q75-G77 PolarHBondContact O-N 3.44Å; G77-E79 PolarHBondContact O-N 3.32Å; G77-L80 PolarHBondContact O-N 2.83Å; G77-L81 WeakPolarHBondContact O-CG 3.2Å; G77-L81 PolarHBondContact O-N 3.43Å |
| 78 | E | 87.9 | Confident | 88.6 | Confident | 93 Ų | 93 | 71.4 Ų | 71.4 | 44% | 0.435 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 179 | -71.3 | -178.8 | 164.5 | 0 | 0 | 112.8 | I74 Q75 L81 A82 | I74-E78 HydrophobicContact CG2-CG 4.39Å; I74-E78 WeakPolarHBondContact O-CG 3.39Å; I74-E78 PolarHBondContact O-N 3.29Å; Q75-E78 PolarHBondContact O-N 3.48Å; E78-L81 PolarHBondContact O-N 3.41Å; E78-A82 PolarHBondContact O-N 2.84Å |
| 79 | E | 91 | Very high | 88.6 | Confident | 108 Ų | 108 | 64.3 Ų | 64.3 | 51% | 0.505 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.4 | -45 | 177.3 | -169.8 | -177.3 | 171.4 | 0 | 0 | 111.6 | Q75 L76 G77 L81 A82 Q83 | Q75-E79 WeakPolarHBondContact O-CB 3.26Å; Q75-E79 PolarHBondContact O-N 2.69Å; L76-E79 PolarHBondContact O-N 2.91Å; G77-E79 PolarHBondContact O-N 3.32Å; E79-L81 VanDerWaalsContact C-N 3.32Å; E79-L81 PolarHBondContact O-N 3.26Å; E79-A82 WeakPolarHBondContact O-CB 3.29Å; E79-A82 PolarHBondContact O-N 3.47Å; E79-A82 VanDerWaalsContact O-N 3.17Å; E79-Q83 WeakPolarHBondContact O-CG 3.34Å; E79-Q83 PolarHBondContact O-N 2.86Å; E79-Q83 PolarHBondContact OE1-NE2 3.04Å |
| 80 | L | 89.9 | Confident | 88.6 | Confident | 25 Ų | 25 | 63.7 Ų | 63.7 | 13% | 0.131 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.2 | -36.9 | 177.4 | -71.5 | 166.7 | 0 | 0 | 0 | 111.9 | L76 G77 A82 Q83 G84 E85 K88 H92 | L76-L80 WeakPolarHBondContact O-CB 3.18Å; L76-L80 WeakPolarHBondContact O-CD1 3.44Å; L76-L80 WeakPolarHBondContact O-CG 3.38Å; L76-L80 PolarHBondContact O-N 3.15Å; G77-L80 PolarHBondContact O-N 2.83Å; L80-A82 VanDerWaalsContact C-N 3.35Å; L80-Q83 PolarHBondContact O-N 2.85Å; L80-G84 PolarHBondContact O-N 3.45Å; L80-E85 HydrophobicContact CB-CB 4.33Å; L80-E85 HydrophobicContact CD2-CB 4.18Å; L80-E85 VanDerWaalsContact CD2-OE2 3.32Å; L80-E85 WeakPolarHBondContact CD2-OE2 3.33Å; L80-E85 WeakPolarHBondContact O-CA 3.32Å; L80-E85 PolarHBondContact O-N 2.81Å; L80-K88 HydrophobicContact CD1-CB 3.87Å; L80-H92 WeakPolarHBondContact CD1-CD2 3.41Å |
| 81 | L | 88.2 | Confident | 88.5 | Confident | 21 Ų | 21 | 64.7 Ų | 64.7 | 11% | 0.11 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 172.3 | -69.3 | 176.1 | 0 | 0 | 0 | 111.7 | G77 E78 E79 Q83 G84 Y86 L93 L114 V118 | G77-L81 WeakPolarHBondContact O-CG 3.2Å; G77-L81 PolarHBondContact O-N 3.43Å; E78-L81 PolarHBondContact O-N 3.41Å; E79-L81 VanDerWaalsContact C-N 3.32Å; E79-L81 PolarHBondContact O-N 3.26Å; L81-Q83 VanDerWaalsContact C-N 3.31Å; L81-Q83 PolarHBondContact O-N 2.83Å; L81-G84 PolarHBondContact O-N 3.35Å; L81-G84 VanDerWaalsContact O-N 3.15Å; L81-Y86 HydrophobicContact CD2-CD1 3.74Å; L81-L93 HydrophobicContact CD1-CD1 3.85Å; L81-L114 HydrophobicContact CD1-CD2 3.57Å; L81-V118 HydrophobicContact CD1-CG1 3.88Å; L81-V118 HydrophobicContact CD2-CB 4.49Å; L81-V118 HydrophobicContact CD2-CG1 3.4Å; L81-V118 HydrophobicContact CD2-CG2 4.26Å; L81-V118 HydrophobicContact CG-CG1 4.3Å |
| 82 | A | 87.9 | Confident | 88.5 | Confident | 91 Ų | 91 | 62.8 Ų | 62.8 | 75% | 0.752 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -66.3 | -31.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E78 E79 L80 G84 | E78-A82 PolarHBondContact O-N 2.84Å; E79-A82 WeakPolarHBondContact O-CB 3.29Å; E79-A82 PolarHBondContact O-N 3.47Å; E79-A82 VanDerWaalsContact O-N 3.17Å; L80-A82 VanDerWaalsContact C-N 3.35Å; A82-G84 PolarHBondContact O-N 3.5Å |
| 83 | Q | 90.8 | Very high | 88.4 | Confident | 116 Ų | 116 | 59.5 Ų | 59.5 | 54% | 0.542 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -7.9 | 174.5 | -67.5 | 175.3 | 19.9 | 0 | 0 | 113.5 | E79 L80 L81 | E79-Q83 WeakPolarHBondContact O-CG 3.34Å; E79-Q83 PolarHBondContact O-N 2.86Å; E79-Q83 PolarHBondContact OE1-NE2 3.04Å; L80-Q83 PolarHBondContact O-N 2.85Å; L81-Q83 VanDerWaalsContact C-N 3.31Å; L81-Q83 PolarHBondContact O-N 2.83Å |
| 84 | G | 86.7 | Confident | 88.2 | Confident | 37 Ų | 37 | 59.1 Ų | 59.1 | 38% | 0.381 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | 7.1 | -176 | 0 | 0 | 0 | 0 | 0 | 114.4 | L80 L81 A82 Y86 | L80-G84 PolarHBondContact O-N 3.45Å; L81-G84 PolarHBondContact O-N 3.35Å; L81-G84 VanDerWaalsContact O-N 3.15Å; A82-G84 PolarHBondContact O-N 3.5Å; G84-Y86 VanDerWaalsContact C-N 3.27Å; G84-Y86 WeakPolarHBondContact O-CD2 3.43Å; G84-Y86 PolarHBondContact O-N 3.02Å; G84-Y86 VanDerWaalsContact O-N 3.08Å |
| 85 | E | 88 | Confident | 87.9 | Confident | 74 Ų | 74 | 60.6 Ų | 60.6 | 35% | 0.346 | 31% | 0.309 | S | S | . | . | trans | -83.9 | 65.9 | 173.6 | -65.9 | -157.7 | 159.9 | 0 | 0 | 111.3 | L80 E87 K88 G89 | L80-E85 HydrophobicContact CB-CB 4.33Å; L80-E85 HydrophobicContact CD2-CB 4.18Å; L80-E85 VanDerWaalsContact CD2-OE2 3.32Å; L80-E85 WeakPolarHBondContact CD2-OE2 3.33Å; L80-E85 WeakPolarHBondContact O-CA 3.32Å; L80-E85 PolarHBondContact O-N 2.81Å; E85-E87 PolarHBondContact O-N 2.86Å; E85-K88 PolarHBondContact O-N 3.35Å; E85-K88 IonicContact OE1-NZ 3.33Å; E85-K88 PolarHBondContact OE1-NZ 3.29Å; E85-K88 WeakPolarHBondContact OE2-CD 3.35Å; E85-K88 VanDerWaalsContact OE2-CE 3.23Å; E85-K88 WeakPolarHBondContact OE2-CE 3.42Å; E85-K88 IonicContact OE2-NZ 3.03Å; E85-K88 PolarHBondContact OE2-NZ 3.23Å; E85-G89 PolarHBondContact O-N 3.39Å | ||
| 86 | Y | 87 | Confident | 87.7 | Confident | 117 Ų | 117 | 54.4 Ų | 54.4 | 46% | 0.459 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -56.1 | -42.9 | -173.6 | -61 | -69.4 | 0 | 0 | 0 | 114.4 | L81 G84 G89 V90 V118 | L81-Y86 HydrophobicContact CD2-CD1 3.74Å; G84-Y86 VanDerWaalsContact C-N 3.27Å; G84-Y86 WeakPolarHBondContact O-CD2 3.43Å; G84-Y86 PolarHBondContact O-N 3.02Å; G84-Y86 VanDerWaalsContact O-N 3.08Å; Y86-G89 PolarHBondContact O-N 3.22Å; Y86-V90 WeakPolarHBondContact O-CB 3.47Å; Y86-V90 WeakPolarHBondContact O-CG2 3.33Å; Y86-V90 PolarHBondContact O-N 2.91Å; Y86-V118 HydrophobicContact CD1-CG2 3.58Å; Y86-V118 HydrophobicContact CE1-CG2 3.71Å |
| 87 | E | 85.7 | Confident | 87.4 | Confident | 134 Ų | 134 | 52.5 Ų | 52.5 | 63% | 0.626 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -62.8 | -47 | -177.7 | -65.2 | -171.1 | 162.1 | 0 | 0 | 112.3 | E85 V90 D91 M121 | E85-E87 PolarHBondContact O-N 2.86Å; E87-V90 PolarHBondContact O-N 3.46Å; E87-D91 PolarHBondContact O-N 3.39Å; E87-M121 HydrophobicContact CG-SD 4.29Å |
| 88 | K | 85.8 | Confident | 87.1 | Confident | 105 Ų | 105 | 54.7 Ų | 54.7 | 46% | 0.457 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -71.3 | -39.2 | -179.7 | -59.6 | -166.2 | -153.4 | 144.6 | 0 | 111.2 | L80 E85 V90 D91 H92 | L80-K88 HydrophobicContact CD1-CB 3.87Å; E85-K88 PolarHBondContact O-N 3.35Å; E85-K88 IonicContact OE1-NZ 3.33Å; E85-K88 PolarHBondContact OE1-NZ 3.29Å; E85-K88 WeakPolarHBondContact OE2-CD 3.35Å; E85-K88 VanDerWaalsContact OE2-CE 3.23Å; E85-K88 WeakPolarHBondContact OE2-CE 3.42Å; E85-K88 IonicContact OE2-NZ 3.03Å; E85-K88 PolarHBondContact OE2-NZ 3.23Å; K88-V90 VanDerWaalsContact C-N 3.29Å; K88-V90 PolarHBondContact O-N 3.36Å; K88-D91 PolarHBondContact O-N 3.43Å; K88-H92 PolarHBondContact O-CD2 3.34Å; K88-H92 VanDerWaalsContact O-CD2 3.29Å; K88-H92 PolarHBondContact O-N 3.09Å; K88-H92 VanDerWaalsContact O-N 3.09Å |
| 89 | G | 87.7 | Confident | 86.8 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.3 | -43.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E85 Y86 H92 L93 | E85-G89 PolarHBondContact O-N 3.39Å; Y86-G89 PolarHBondContact O-N 3.22Å; G89-H92 PolarHBondContact O-N 3.4Å; G89-L93 WeakPolarHBondContact O-CG 3.41Å; G89-L93 PolarHBondContact O-N 2.93Å |
| 90 | V | 87.3 | Confident | 86.2 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.4 | -40.5 | 174.8 | 169.1 | 0 | 0 | 0 | 0 | 112.3 | Y86 E87 K88 H92 L93 T94 V118 M121 L122 K125 | Y86-V90 WeakPolarHBondContact O-CB 3.47Å; Y86-V90 WeakPolarHBondContact O-CG2 3.33Å; Y86-V90 PolarHBondContact O-N 2.91Å; E87-V90 PolarHBondContact O-N 3.46Å; K88-V90 VanDerWaalsContact C-N 3.29Å; K88-V90 PolarHBondContact O-N 3.36Å; V90-H92 VanDerWaalsContact C-N 3.33Å; V90-H92 PolarHBondContact O-N 3.39Å; V90-L93 PolarHBondContact O-N 2.92Å; V90-T94 PolarHBondContact O-N 3.32Å; V90-T94 PolarHBondContact O-OG1 3.23Å; V90-V118 HydrophobicContact CG2-CG1 4.05Å; V90-M121 HydrophobicContact CG2-CB 4.21Å; V90-M121 HydrophobicContact CG2-CG 4.14Å; V90-M121 HydrophobicContact CG2-SD 4.1Å; V90-L122 HydrophobicContact CG1-CB 4.16Å; V90-L122 HydrophobicContact CG1-CD1 3.88Å; V90-K125 HydrophobicContact CG1-CB 4.24Å; V90-K125 HydrophobicContact CG1-CG 3.9Å |
| 91 | D | 87.3 | Confident | 85.6 | Confident | 68 Ų | 68 | 50.5 Ų | 50.5 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 177.2 | -73 | -20.6 | 0 | 0 | 0 | 111.2 | E87 K88 T94 N95 K125 | E87-D91 PolarHBondContact O-N 3.39Å; K88-D91 PolarHBondContact O-N 3.43Å; D91-T94 PolarHBondContact O-N 2.83Å; D91-N95 VanDerWaalsContact O-CG 3.29Å; D91-N95 PolarHBondContact O-N 3.42Å; D91-N95 PolarHBondContact O-ND2 3.46Å; D91-K125 IonicContact OD1-NZ 3.03Å |
| 92 | H | 89 | Confident | 85.1 | Confident | 46 Ų | 46 | 55.5 Ų | 55.5 | 21% | 0.213 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.5 | -45.6 | 175.6 | -80.4 | -71.8 | 0 | 0 | 0 | 112.9 | E73 L80 K88 G89 V90 T94 N95 A96 | E73-H92 IonicContact OE1-CE1 3.78Å; E73-H92 IonicContact OE1-ND1 2.74Å; E73-H92 PolarHBondContact OE1-ND1 2.87Å; E73-H92 WeakPolarHBondContact OE2-CA 3.47Å; E73-H92 IonicContact OE2-CE1 2.67Å; E73-H92 IonicContact OE2-CG 3.49Å; E73-H92 IonicContact OE2-ND1 3.97Å; E73-H92 PolarHBondContact OE2-ND1 3.19Å; L80-H92 WeakPolarHBondContact CD1-CD2 3.41Å; K88-H92 PolarHBondContact O-CD2 3.34Å; K88-H92 VanDerWaalsContact O-CD2 3.29Å; K88-H92 PolarHBondContact O-N 3.09Å; K88-H92 VanDerWaalsContact O-N 3.09Å; G89-H92 PolarHBondContact O-N 3.4Å; V90-H92 VanDerWaalsContact C-N 3.33Å; V90-H92 PolarHBondContact O-N 3.39Å; H92-T94 PolarHBondContact O-N 2.86Å; H92-N95 WeakPolarHBondContact O-CB 3.36Å; H92-N95 PolarHBondContact O-N 2.94Å; H92-N95 VanDerWaalsContact O-N 3.14Å; H92-A96 PolarHBondContact O-N 3.44Å |
| 93 | L | 87.6 | Confident | 84.6 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.4 | -36.2 | 174 | -70 | 177.7 | 0 | 0 | 0 | 111.8 | I74 L81 G89 V90 A96 I97 L110 L114 L122 | I74-L93 HydrophobicContact CD1-CD2 3.61Å; L81-L93 HydrophobicContact CD1-CD1 3.85Å; G89-L93 WeakPolarHBondContact O-CG 3.41Å; G89-L93 PolarHBondContact O-N 2.93Å; V90-L93 PolarHBondContact O-N 2.92Å; L93-A96 WeakPolarHBondContact O-CB 3.46Å; L93-A96 PolarHBondContact O-N 3.47Å; L93-I97 VanDerWaalsContact O-CG1 3.3Å; L93-I97 WeakPolarHBondContact O-CG1 3.22Å; L93-I97 PolarHBondContact O-N 2.86Å; L93-L110 HydrophobicContact CD2-CD2 4.09Å; L93-L114 HydrophobicContact CD1-CD1 3.6Å; L93-L122 HydrophobicContact CB-CD1 3.98Å |
| 94 | T | 84.7 | Confident | 83.9 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -74.3 | -31.7 | 179.4 | -35.1 | 0 | 0 | 0 | 0 | 112.6 | V90 D91 H92 I97 A98 L122 L126 I129 | V90-T94 PolarHBondContact O-N 3.32Å; V90-T94 PolarHBondContact O-OG1 3.23Å; D91-T94 PolarHBondContact O-N 2.83Å; H92-T94 PolarHBondContact O-N 2.86Å; T94-I97 PolarHBondContact O-N 2.84Å; T94-A98 PolarHBondContact O-N 3.26Å; T94-L122 WeakPolarHBondContact OG1-CD1 3.39Å; T94-L126 HydrophobicContact CG2-CD2 3.82Å; T94-I129 VanDerWaalsContact CB-CD1 3.41Å; T94-I129 HydrophobicContact CG2-CB 4.13Å; T94-I129 HydrophobicContact CG2-CD1 3.13Å; T94-I129 HydrophobicContact CG2-CG1 4.14Å; T94-I129 HydrophobicContact CG2-CG2 4.26Å |
| 95 | N | 84.2 | Confident | 83.6 | Confident | 52 Ų | 52 | 60.3 Ų | 60.3 | 28% | 0.278 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.9 | -41 | 169.4 | -62.6 | -28.3 | 0 | 0 | 0 | 111.6 | E73 D91 H92 I97 A98 V99 | E73-N95 HydrophobicContact CG-CB 4.25Å; E73-N95 VanDerWaalsContact OE2-CB 3.31Å; E73-N95 WeakPolarHBondContact OE2-CB 3.31Å; E73-N95 PolarHBondContact OE2-ND2 3.35Å; D91-N95 VanDerWaalsContact O-CG 3.29Å; D91-N95 PolarHBondContact O-N 3.42Å; D91-N95 PolarHBondContact O-ND2 3.46Å; H92-N95 WeakPolarHBondContact O-CB 3.36Å; H92-N95 PolarHBondContact O-N 2.94Å; H92-N95 VanDerWaalsContact O-N 3.14Å; N95-I97 VanDerWaalsContact C-N 3.33Å; N95-I97 PolarHBondContact O-N 3.14Å; N95-A98 WeakPolarHBondContact O-CB 3.38Å; N95-A98 PolarHBondContact O-N 3.35Å; N95-A98 VanDerWaalsContact O-N 3.17Å; N95-V99 PolarHBondContact O-N 3.31Å |
| 96 | A | 85.9 | Confident | 83.3 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.2 | -40 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F70 E73 I74 H92 L93 A98 V99 C100 | F70-A96 HydrophobicContact CD2-CB 3.85Å; F70-A96 WeakPolarHBondContact CD2-O 3.43Å; F70-A96 HydrophobicContact CE2-CB 3.94Å; E73-A96 HydrophobicContact CB-CB 3.89Å; I74-A96 HydrophobicContact CD1-CB 3.52Å; I74-A96 HydrophobicContact CG1-CB 3.79Å; H92-A96 PolarHBondContact O-N 3.44Å; L93-A96 WeakPolarHBondContact O-CB 3.46Å; L93-A96 PolarHBondContact O-N 3.47Å; A96-A98 VanDerWaalsContact C-N 3.33Å; A96-A98 PolarHBondContact O-N 2.95Å; A96-V99 WeakPolarHBondContact O-CG2 3.43Å; A96-V99 PolarHBondContact O-N 2.72Å; A96-C100 PolarHBondContact O-N 3.38Å |
| 97 | I | 84.4 | Confident | 83 | Confident | 14 Ų | 14 | 54.1 Ų | 54.1 | 7% | 0.072 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.6 | -38.2 | 174.2 | -66.2 | 164.2 | 0 | 0 | 0 | 111 | L93 T94 N95 V99 C100 P103 L106 L107 L110 L122 L126 | L93-I97 VanDerWaalsContact O-CG1 3.3Å; L93-I97 WeakPolarHBondContact O-CG1 3.22Å; L93-I97 PolarHBondContact O-N 2.86Å; T94-I97 PolarHBondContact O-N 2.84Å; N95-I97 VanDerWaalsContact C-N 3.33Å; N95-I97 PolarHBondContact O-N 3.14Å; I97-V99 VanDerWaalsContact C-N 3.27Å; I97-V99 PolarHBondContact O-N 3.01Å; I97-C100 WeakPolarHBondContact O-CB 3.38Å; I97-C100 PolarHBondContact O-N 3.01Å; I97-C100 VanDerWaalsContact O-N 3.14Å; I97-P103 HydrophobicContact CG2-CB 3.86Å; I97-L106 HydrophobicContact CB-CD2 4.32Å; I97-L106 HydrophobicContact CG1-CD2 3.6Å; I97-L106 HydrophobicContact CG1-CG 4.29Å; I97-L107 HydrophobicContact CD1-CD2 3.99Å; I97-L110 HydrophobicContact CD1-CD1 3.94Å; I97-L110 HydrophobicContact CG1-CD1 4.26Å; I97-L122 HydrophobicContact CD1-CD1 4.15Å; I97-L122 HydrophobicContact CD1-CD2 4.07Å; I97-L122 HydrophobicContact CD1-CG 4.43Å; I97-L126 HydrophobicContact CD1-CD2 4.14Å; I97-L126 HydrophobicContact CG2-CD2 4.33Å |
| 98 | A | 81.7 | Confident | 82.9 | Confident | 46 Ų | 46 | 53.8 Ų | 53.8 | 38% | 0.38 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.6 | -28.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | T94 N95 A96 I129 I133 | T94-A98 PolarHBondContact O-N 3.26Å; N95-A98 WeakPolarHBondContact O-CB 3.38Å; N95-A98 PolarHBondContact O-N 3.35Å; N95-A98 VanDerWaalsContact O-N 3.17Å; A96-A98 VanDerWaalsContact C-N 3.33Å; A96-A98 PolarHBondContact O-N 2.95Å; A98-I129 HydrophobicContact CB-CG2 4.33Å; A98-I133 HydrophobicContact CB-CD1 4.08Å |
| 99 | V | 81.2 | Confident | 82.8 | Confident | 21 Ų | 21 | 52.7 Ų | 52.7 | 13% | 0.127 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -91.1 | -10.1 | 176.2 | -60.9 | 0 | 0 | 0 | 0 | 113.4 | L57 V66 F69 F70 N95 A96 I97 | L57-V99 HydrophobicContact CD2-CG1 4.23Å; V66-V99 HydrophobicContact CG1-CB 4.2Å; F69-V99 HydrophobicContact CD1-CB 4.43Å; F69-V99 HydrophobicContact CD1-CG1 3.76Å; F69-V99 HydrophobicContact CD1-CG2 3.99Å; F69-V99 HydrophobicContact CE1-CG1 3.7Å; F69-V99 HydrophobicContact CE1-CG2 4.34Å; F70-V99 HydrophobicContact CB-CG2 4.15Å; F70-V99 HydrophobicContact CD2-CG2 4.29Å; N95-V99 PolarHBondContact O-N 3.31Å; A96-V99 WeakPolarHBondContact O-CG2 3.43Å; A96-V99 PolarHBondContact O-N 2.72Å; I97-V99 VanDerWaalsContact C-N 3.27Å; I97-V99 PolarHBondContact O-N 3.01Å |
| 100 | C | 78.3 | Confident | 82.6 | Confident | 39 Ų | 39 | 52.9 Ų | 52.9 | 26% | 0.264 | 30% | 0.298 | S | S | . | . | trans | -80.8 | 124.4 | -179.2 | -171 | 0 | 0 | 0 | 0 | 110.5 | A96 I97 Q102 L106 | A96-C100 PolarHBondContact O-N 3.38Å; I97-C100 WeakPolarHBondContact O-CB 3.38Å; I97-C100 PolarHBondContact O-N 3.01Å; I97-C100 VanDerWaalsContact O-N 3.14Å; C100-Q102 PolarHBondContact O-N 3.45Å; C100-Q102 PolarHBondContact SG-N 3.39Å; C100-L106 HydrophobicContact CB-CD2 4.05Å | ||
| 101 | G | 78.5 | Confident | 82.4 | Confident | 79 Ų | 79 | 58.1 Ų | 58.1 | 81% | 0.814 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -67.4 | -14.1 | 174 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 102 | Q | 77.3 | Confident | 82.3 | Confident | 126 Ų | 126 | 62.2 Ų | 62.2 | 59% | 0.589 | 34% | 0.339 | S | S | * | . | trans | -132.2 | 71.4 | -178.1 | -65.6 | -174.6 | 1.6 | 0 | 0 | 111.4 | C100 Q104 Q105 | C100-Q102 PolarHBondContact O-N 3.45Å; C100-Q102 PolarHBondContact SG-N 3.39Å; Q102-Q104 PolarHBondContact O-N 3.44Å; Q102-Q104 VanDerWaalsContact O-N 3.15Å; Q102-Q105 PolarHBondContact O-N 3.4Å | ||
| 103 | P | 77.7 | Confident | 82.1 | Confident | 55 Ų | 55 | 64 Ų | 64 | 36% | 0.357 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.4 | -28.1 | -175.5 | 25 | -35.2 | 0 | 0 | 0 | 113.1 | I97 L106 L107 | I97-P103 HydrophobicContact CG2-CB 3.86Å; P103-L106 PolarHBondContact O-N 3.31Å; P103-L107 WeakPolarHBondContact O-CB 3.47Å; P103-L107 VanDerWaalsContact O-CG 3.22Å; P103-L107 WeakPolarHBondContact O-CG 3.38Å; P103-L107 PolarHBondContact O-N 3.06Å |
| 104 | Q | 76.9 | Confident | 81.8 | Confident | 166 Ų | 166 | 64.9 Ų | 64.9 | 78% | 0.776 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -65 | -43.4 | -179.3 | -67.4 | -178.4 | -9.2 | 0 | 0 | 113 | Q102 L107 Q108 | Q102-Q104 PolarHBondContact O-N 3.44Å; Q102-Q104 VanDerWaalsContact O-N 3.15Å; Q104-L107 PolarHBondContact O-N 3.3Å; Q104-Q108 PolarHBondContact O-N 3.19Å; Q104-Q108 VanDerWaalsContact O-N 3.13Å |
| 105 | Q | 80.2 | Confident | 81.7 | Confident | 123 Ų | 123 | 68.5 Ų | 68.5 | 58% | 0.575 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -67.3 | -42.1 | 179.4 | -171.2 | 175.4 | 24.4 | 0 | 0 | 110.6 | Q102 Q108 V109 | Q102-Q105 PolarHBondContact O-N 3.4Å; Q105-Q108 PolarHBondContact O-N 3.03Å; Q105-V109 WeakPolarHBondContact O-CG2 2.95Å; Q105-V109 PolarHBondContact O-N 2.91Å; Q105-V109 VanDerWaalsContact O-N 3.16Å |
| 106 | L | 80.9 | Confident | 81.6 | Confident | 21 Ų | 21 | 70.9 Ų | 70.9 | 11% | 0.11 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64 | -42.9 | 176.8 | -179 | 59.7 | 0 | 0 | 0 | 112 | F70 I97 C100 P103 Q108 V109 L110 | F70-L106 HydrophobicContact CE2-CD1 4.03Å; F70-L106 HydrophobicContact CE2-CD2 3.5Å; F70-L106 VanDerWaalsContact CE2-CD2 3.5Å; F70-L106 HydrophobicContact CE2-CG 4.41Å; F70-L106 HydrophobicContact CZ-CD1 3.66Å; F70-L106 HydrophobicContact CZ-CD2 4.03Å; F70-L106 HydrophobicContact CZ-CG 4.49Å; I97-L106 HydrophobicContact CB-CD2 4.32Å; I97-L106 HydrophobicContact CG1-CD2 3.6Å; I97-L106 HydrophobicContact CG1-CG 4.29Å; C100-L106 HydrophobicContact CB-CD2 4.05Å; P103-L106 PolarHBondContact O-N 3.31Å; L106-Q108 VanDerWaalsContact C-N 3.28Å; L106-Q108 PolarHBondContact O-N 2.88Å; L106-V109 PolarHBondContact O-N 3.36Å; L106-L110 HydrophobicContact CD1-CD1 4.36Å; L106-L110 HydrophobicContact CD1-CG 4.26Å; L106-L110 HydrophobicContact CG-CD1 4.05Å; L106-L110 HydrophobicContact CG-CG 4.38Å; L106-L110 WeakPolarHBondContact O-CG 3.3Å; L106-L110 PolarHBondContact O-N 3.05Å |
| 107 | L | 81.9 | Confident | 81.5 | Confident | 40 Ų | 40 | 75.6 Ų | 75.6 | 21% | 0.209 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -60.5 | -38.1 | 176.2 | -78.4 | 170.8 | 0 | 0 | 0 | 112.2 | I97 P103 Q104 L110 Q111 F119 L122 L126 | I97-L107 HydrophobicContact CD1-CD2 3.99Å; P103-L107 WeakPolarHBondContact O-CB 3.47Å; P103-L107 VanDerWaalsContact O-CG 3.22Å; P103-L107 WeakPolarHBondContact O-CG 3.38Å; P103-L107 PolarHBondContact O-N 3.06Å; Q104-L107 PolarHBondContact O-N 3.3Å; L107-L110 PolarHBondContact O-N 3.3Å; L107-Q111 WeakPolarHBondContact O-CB 3.24Å; L107-Q111 PolarHBondContact O-N 3.44Å; L107-F119 HydrophobicContact CD2-CE2 4.35Å; L107-L122 HydrophobicContact CD2-CD2 4.26Å; L107-L126 HydrophobicContact CD1-CD1 4.41Å; L107-L126 HydrophobicContact CD2-CD1 4.02Å |
| 108 | Q | 81.6 | Confident | 81.4 | Confident | 128 Ų | 128 | 75.2 Ų | 75.2 | 60% | 0.598 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -65.2 | -41.5 | 176.2 | -170.8 | 178.1 | 11.5 | 0 | 0 | 111.7 | Q104 Q105 L106 Q111 Q112 | Q104-Q108 PolarHBondContact O-N 3.19Å; Q104-Q108 VanDerWaalsContact O-N 3.13Å; Q105-Q108 PolarHBondContact O-N 3.03Å; L106-Q108 VanDerWaalsContact C-N 3.28Å; L106-Q108 PolarHBondContact O-N 2.88Å; Q108-Q111 PolarHBondContact O-N 3.2Å; Q108-Q112 WeakPolarHBondContact O-CG 3.38Å; Q108-Q112 PolarHBondContact O-N 2.95Å |
| 109 | V | 85 | Confident | 81.6 | Confident | 81 Ų | 81 | 74.3 Ų | 74.3 | 49% | 0.491 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64 | -48.2 | 175.1 | 175.4 | 0 | 0 | 0 | 0 | 110.4 | Q105 L106 Q111 Q112 T113 | Q105-V109 WeakPolarHBondContact O-CG2 2.95Å; Q105-V109 PolarHBondContact O-N 2.91Å; Q105-V109 VanDerWaalsContact O-N 3.16Å; L106-V109 PolarHBondContact O-N 3.36Å; V109-Q111 VanDerWaalsContact C-N 3.26Å; V109-Q111 PolarHBondContact O-N 2.82Å; V109-Q112 PolarHBondContact O-N 3.43Å; V109-T113 HydrophobicContact CG1-CG2 4.29Å; V109-T113 PolarHBondContact O-N 3.29Å; V109-T113 PolarHBondContact O-OG1 3.4Å |
| 110 | L | 84 | Confident | 81.6 | Confident | 5 Ų | 5 | 78.8 Ų | 78.8 | 3% | 0.026 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -61.5 | -33 | 178.7 | -69.4 | 175.4 | 0 | 0 | 0 | 112.7 | L93 I97 L106 L107 Q112 T113 L114 F119 L122 | L93-L110 HydrophobicContact CD2-CD2 4.09Å; I97-L110 HydrophobicContact CD1-CD1 3.94Å; I97-L110 HydrophobicContact CG1-CD1 4.26Å; L106-L110 HydrophobicContact CD1-CD1 4.36Å; L106-L110 HydrophobicContact CD1-CG 4.26Å; L106-L110 HydrophobicContact CG-CD1 4.05Å; L106-L110 HydrophobicContact CG-CG 4.38Å; L106-L110 WeakPolarHBondContact O-CG 3.3Å; L106-L110 PolarHBondContact O-N 3.05Å; L107-L110 PolarHBondContact O-N 3.3Å; L110-Q112 VanDerWaalsContact C-N 3.27Å; L110-Q112 PolarHBondContact O-N 3.03Å; L110-T113 WeakPolarHBondContact CA-OG1 3.25Å; L110-T113 PolarHBondContact O-N 2.88Å; L110-T113 PolarHBondContact O-OG1 2.89Å; L110-L114 HydrophobicContact CB-CD1 4.25Å; L110-L114 HydrophobicContact CD2-CD1 4.18Å; L110-L114 HydrophobicContact CD2-CG 4.5Å; L110-L114 VanDerWaalsContact O-CB 3.24Å; L110-L114 WeakPolarHBondContact O-CB 3.38Å; L110-L114 WeakPolarHBondContact O-CG 3.21Å; L110-L114 PolarHBondContact O-N 3.48Å; L110-F119 HydrophobicContact CB-CE2 4.48Å; L110-L122 HydrophobicContact CD1-CD2 4.1Å |
| 111 | Q | 82.5 | Confident | 81.8 | Confident | 109 Ų | 109 | 79.9 Ų | 79.9 | 51% | 0.509 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.3 | -31.1 | 174.5 | -172.6 | -176.8 | 3 | 0 | 0 | 112.4 | L107 Q108 V109 F119 | L107-Q111 WeakPolarHBondContact O-CB 3.24Å; L107-Q111 PolarHBondContact O-N 3.44Å; Q108-Q111 PolarHBondContact O-N 3.2Å; V109-Q111 VanDerWaalsContact C-N 3.26Å; V109-Q111 PolarHBondContact O-N 2.82Å; Q111-F119 HydrophobicContact CB-CD2 4.34Å; Q111-F119 HydrophobicContact CB-CE1 4.34Å; Q111-F119 HydrophobicContact CB-CE2 3.86Å; Q111-F119 HydrophobicContact CB-CZ 3.86Å; Q111-F119 HydrophobicContact CG-CD1 4.48Å; Q111-F119 HydrophobicContact CG-CE1 4.14Å; Q111-F119 HydrophobicContact CG-CE2 4.5Å; Q111-F119 HydrophobicContact CG-CZ 4.15Å |
| 112 | Q | 84.9 | Confident | 82.1 | Confident | 155 Ų | 155 | 76.1 Ų | 76.1 | 72% | 0.724 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -84.5 | -28.5 | 178.5 | -62.2 | -61.4 | -48.6 | 0 | 0 | 112.5 | Q108 V109 L110 | Q108-Q112 WeakPolarHBondContact O-CG 3.38Å; Q108-Q112 PolarHBondContact O-N 2.95Å; V109-Q112 PolarHBondContact O-N 3.43Å; L110-Q112 VanDerWaalsContact C-N 3.27Å; L110-Q112 PolarHBondContact O-N 3.03Å |
| 113 | T | 84.8 | Confident | 82.2 | Confident | 82 Ų | 82 | 73.3 Ų | 73.3 | 50% | 0.503 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -92.5 | -28 | -176.9 | 59 | 0 | 0 | 0 | 0 | 113.8 | V109 L110 | V109-T113 HydrophobicContact CG1-CG2 4.29Å; V109-T113 PolarHBondContact O-N 3.29Å; V109-T113 PolarHBondContact O-OG1 3.4Å; L110-T113 WeakPolarHBondContact CA-OG1 3.25Å; L110-T113 PolarHBondContact O-N 2.88Å; L110-T113 PolarHBondContact O-OG1 2.89Å |
| 114 | L | 82.3 | Confident | 82.4 | Confident | 20 Ų | 20 | 75.1 Ų | 75.1 | 11% | 0.105 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -99.1 | 144.3 | -174.5 | -61 | -179 | 0 | 0 | 0 | 113.4 | L81 L93 L110 V118 | L81-L114 HydrophobicContact CD1-CD2 3.57Å; L93-L114 HydrophobicContact CD1-CD1 3.6Å; L110-L114 HydrophobicContact CB-CD1 4.25Å; L110-L114 HydrophobicContact CD2-CD1 4.18Å; L110-L114 HydrophobicContact CD2-CG 4.5Å; L110-L114 VanDerWaalsContact O-CB 3.24Å; L110-L114 WeakPolarHBondContact O-CB 3.38Å; L110-L114 WeakPolarHBondContact O-CG 3.21Å; L110-L114 PolarHBondContact O-N 3.48Å; L114-V118 HydrophobicContact CD1-CG1 4.24Å |
| 115 | P | 82.1 | Confident | 82.3 | Confident | 77 Ų | 77 | 70.5 Ų | 70.5 | 50% | 0.5 | 38% | 0.375 | S | S | . | . | trans | -58.1 | 143.1 | 169.4 | -24 | 34 | 0 | 0 | 0 | 112.1 | P117 V118 F119 | P115-P117 VanDerWaalsContact C-N 3.33Å; P115-P117 VanDerWaalsContact O-N 3.14Å; P115-V118 HydrophobicContact CB-CG2 4.4Å; P115-V118 PolarHBondContact O-N 3.46Å; P115-F119 PolarHBondContact O-N 3.44Å; P115-F119 VanDerWaalsContact O-N 3.16Å | ||
| 116 | P | 82.2 | Confident | 81.8 | Confident | 101 Ų | 101 | 66.3 Ų | 66.3 | 66% | 0.656 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -51.3 | -38.4 | -178.1 | -26.2 | 32.4 | 0 | 0 | 0 | 115.8 | V118 F119 Q120 | P116-V118 VanDerWaalsContact C-N 3.35Å; P116-V118 PolarHBondContact O-N 2.88Å; P116-F119 PolarHBondContact O-N 2.85Å; P116-Q120 WeakPolarHBondContact O-CG 3.31Å; P116-Q120 PolarHBondContact O-N 3.23Å |
| 117 | P | 83.2 | Confident | 81.3 | Confident | 99 Ų | 99 | 68.7 Ų | 68.7 | 64% | 0.643 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -63.4 | -36.7 | 177.3 | -23.5 | 35 | 0 | 0 | 0 | 113.9 | P115 M121 | P115-P117 VanDerWaalsContact C-N 3.33Å; P115-P117 VanDerWaalsContact O-N 3.14Å; P117-M121 PolarHBondContact O-N 3.46Å; P117-M121 VanDerWaalsContact O-N 3.17Å |
| 118 | V | 83 | Confident | 80.5 | Confident | 6 Ų | 6 | 69.7 Ų | 69.7 | 4% | 0.036 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -71.5 | -42.9 | 178.5 | -178.6 | 0 | 0 | 0 | 0 | 110 | L81 Y86 V90 L114 P115 P116 Q120 M121 L122 | L81-V118 HydrophobicContact CD1-CG1 3.88Å; L81-V118 HydrophobicContact CD2-CB 4.49Å; L81-V118 HydrophobicContact CD2-CG1 3.4Å; L81-V118 HydrophobicContact CD2-CG2 4.26Å; L81-V118 HydrophobicContact CG-CG1 4.3Å; Y86-V118 HydrophobicContact CD1-CG2 3.58Å; Y86-V118 HydrophobicContact CE1-CG2 3.71Å; V90-V118 HydrophobicContact CG2-CG1 4.05Å; L114-V118 HydrophobicContact CD1-CG1 4.24Å; P115-V118 HydrophobicContact CB-CG2 4.4Å; P115-V118 PolarHBondContact O-N 3.46Å; P116-V118 VanDerWaalsContact C-N 3.35Å; P116-V118 PolarHBondContact O-N 2.88Å; V118-Q120 VanDerWaalsContact C-N 3.33Å; V118-Q120 PolarHBondContact O-N 2.9Å; V118-M121 WeakPolarHBondContact O-CB 3.32Å; V118-M121 PolarHBondContact O-N 3.33Å; V118-M121 VanDerWaalsContact O-N 3.15Å; V118-L122 PolarHBondContact O-N 2.9Å |
| 119 | F | 85 | Confident | 79.6 | Confident | 27 Ų | 27 | 64.7 Ų | 64.7 | 12% | 0.118 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 177 | -170.6 | -104.6 | 0 | 0 | 0 | 111.9 | L107 L110 Q111 P115 P116 M121 L122 L123 | L107-F119 HydrophobicContact CD2-CE2 4.35Å; L110-F119 HydrophobicContact CB-CE2 4.48Å; Q111-F119 HydrophobicContact CB-CD2 4.34Å; Q111-F119 HydrophobicContact CB-CE1 4.34Å; Q111-F119 HydrophobicContact CB-CE2 3.86Å; Q111-F119 HydrophobicContact CB-CZ 3.86Å; Q111-F119 HydrophobicContact CG-CD1 4.48Å; Q111-F119 HydrophobicContact CG-CE1 4.14Å; Q111-F119 HydrophobicContact CG-CE2 4.5Å; Q111-F119 HydrophobicContact CG-CZ 4.15Å; P115-F119 PolarHBondContact O-N 3.44Å; P115-F119 VanDerWaalsContact O-N 3.16Å; P116-F119 PolarHBondContact O-N 2.85Å; F119-M121 VanDerWaalsContact C-N 3.34Å; F119-M121 PolarHBondContact O-N 2.91Å; F119-L122 HydrophobicContact CD2-CD2 4.25Å; F119-L122 HydrophobicContact CE2-CD2 4.39Å; F119-L122 WeakPolarHBondContact O-CB 3.29Å; F119-L122 PolarHBondContact O-N 3.47Å; F119-L123 HydrophobicContact CD1-CD1 4.06Å; F119-L123 HydrophobicContact CD1-CG 4.27Å; F119-L123 HydrophobicContact CE1-CD1 3.8Å; F119-L123 HydrophobicContact CE1-CD2 4.17Å; F119-L123 HydrophobicContact CE1-CG 4.04Å; F119-L123 HydrophobicContact CZ-CD2 4.2Å; F119-L123 HydrophobicContact CZ-CG 4.5Å; F119-L123 WeakPolarHBondContact O-CG 3.43Å; F119-L123 PolarHBondContact O-N 3.4Å |
| 120 | Q | 82.1 | Confident | 78.3 | Confident | 116 Ų | 116 | 64.2 Ų | 64.2 | 54% | 0.542 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.7 | -41.5 | 173.1 | -72.4 | -66.2 | -17 | 0 | 0 | 112.1 | P116 V118 L122 L123 T124 | P116-Q120 WeakPolarHBondContact O-CG 3.31Å; P116-Q120 PolarHBondContact O-N 3.23Å; V118-Q120 VanDerWaalsContact C-N 3.33Å; V118-Q120 PolarHBondContact O-N 2.9Å; Q120-L122 VanDerWaalsContact C-N 3.32Å; Q120-L122 PolarHBondContact O-N 2.9Å; Q120-L123 PolarHBondContact O-N 3.42Å; Q120-T124 WeakPolarHBondContact O-CG2 3.28Å; Q120-T124 PolarHBondContact O-N 3.36Å |
| 121 | M | 82.7 | Confident | 77.1 | Confident | 62 Ų | 62 | 70.5 Ų | 70.5 | 31% | 0.305 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.4 | -41.6 | 175.3 | -169.6 | -179.3 | -63 | 0 | 0 | 111.7 | E87 V90 P117 V118 F119 L123 T124 K125 | E87-M121 HydrophobicContact CG-SD 4.29Å; V90-M121 HydrophobicContact CG2-CB 4.21Å; V90-M121 HydrophobicContact CG2-CG 4.14Å; V90-M121 HydrophobicContact CG2-SD 4.1Å; P117-M121 PolarHBondContact O-N 3.46Å; P117-M121 VanDerWaalsContact O-N 3.17Å; V118-M121 WeakPolarHBondContact O-CB 3.32Å; V118-M121 PolarHBondContact O-N 3.33Å; V118-M121 VanDerWaalsContact O-N 3.15Å; F119-M121 VanDerWaalsContact C-N 3.34Å; F119-M121 PolarHBondContact O-N 2.91Å; M121-L123 PolarHBondContact O-N 2.91Å; M121-T124 PolarHBondContact O-N 3.5Å; M121-T124 PolarHBondContact O-OG1 3.42Å; M121-K125 WeakPolarHBondContact O-CG 3.28Å; M121-K125 PolarHBondContact O-N 3.22Å |
| 122 | L | 83.1 | Confident | 75.9 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -57.3 | -47.4 | 171.9 | -175 | 72.8 | 0 | 0 | 0 | 111.7 | V90 L93 T94 I97 L107 L110 V118 F119 Q120 T124 K125 L126 | V90-L122 HydrophobicContact CG1-CB 4.16Å; V90-L122 HydrophobicContact CG1-CD1 3.88Å; L93-L122 HydrophobicContact CB-CD1 3.98Å; T94-L122 WeakPolarHBondContact OG1-CD1 3.39Å; I97-L122 HydrophobicContact CD1-CD1 4.15Å; I97-L122 HydrophobicContact CD1-CD2 4.07Å; I97-L122 HydrophobicContact CD1-CG 4.43Å; L107-L122 HydrophobicContact CD2-CD2 4.26Å; L110-L122 HydrophobicContact CD1-CD2 4.1Å; V118-L122 PolarHBondContact O-N 2.9Å; F119-L122 HydrophobicContact CD2-CD2 4.25Å; F119-L122 HydrophobicContact CE2-CD2 4.39Å; F119-L122 WeakPolarHBondContact O-CB 3.29Å; F119-L122 PolarHBondContact O-N 3.47Å; Q120-L122 VanDerWaalsContact C-N 3.32Å; Q120-L122 PolarHBondContact O-N 2.9Å; L122-T124 VanDerWaalsContact C-N 3.27Å; L122-T124 PolarHBondContact O-N 2.89Å; L122-K125 PolarHBondContact O-N 3.44Å; L122-L126 WeakPolarHBondContact O-CG 3.39Å; L122-L126 PolarHBondContact O-N 2.88Å |
| 123 | L | 81.1 | Confident | 74.5 | Confident | 67 Ų | 67 | 68.8 Ų | 68.8 | 35% | 0.351 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.7 | -34.2 | 178.5 | -66.7 | -178.6 | 0 | 0 | 0 | 113.1 | F119 Q120 M121 K125 L126 P127 | F119-L123 HydrophobicContact CD1-CD1 4.06Å; F119-L123 HydrophobicContact CD1-CG 4.27Å; F119-L123 HydrophobicContact CE1-CD1 3.8Å; F119-L123 HydrophobicContact CE1-CD2 4.17Å; F119-L123 HydrophobicContact CE1-CG 4.04Å; F119-L123 HydrophobicContact CZ-CD2 4.2Å; F119-L123 HydrophobicContact CZ-CG 4.5Å; F119-L123 WeakPolarHBondContact O-CG 3.43Å; F119-L123 PolarHBondContact O-N 3.4Å; Q120-L123 PolarHBondContact O-N 3.42Å; M121-L123 PolarHBondContact O-N 2.91Å; L123-K125 VanDerWaalsContact C-N 3.27Å; L123-K125 PolarHBondContact O-N 3.26Å; L123-L126 HydrophobicContact CD2-CD1 3.72Å; L123-P127 WeakPolarHBondContact O-CD 3.39Å |
| 124 | T | 81.8 | Confident | 73.2 | Confident | 92 Ų | 92 | 69.1 Ų | 69.1 | 56% | 0.564 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -69.1 | -25.2 | 175.7 | 64.1 | 0 | 0 | 0 | 0 | 113.4 | Q120 M121 L122 | Q120-T124 WeakPolarHBondContact O-CG2 3.28Å; Q120-T124 PolarHBondContact O-N 3.36Å; M121-T124 PolarHBondContact O-N 3.5Å; M121-T124 PolarHBondContact O-OG1 3.42Å; L122-T124 VanDerWaalsContact C-N 3.27Å; L122-T124 PolarHBondContact O-N 2.89Å |
| 125 | K | 72.8 | Confident | 71.9 | Confident | 69 Ų | 69 | 71.2 Ų | 71.2 | 30% | 0.3 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -90.6 | -27 | -178.5 | -65.5 | -78.7 | -173.9 | 149.4 | 0 | 113.3 | V90 D91 M121 L122 L123 T128 I129 | V90-K125 HydrophobicContact CG1-CB 4.24Å; V90-K125 HydrophobicContact CG1-CG 3.9Å; D91-K125 IonicContact OD1-NZ 3.03Å; M121-K125 WeakPolarHBondContact O-CG 3.28Å; M121-K125 PolarHBondContact O-N 3.22Å; L122-K125 PolarHBondContact O-N 3.44Å; L123-K125 VanDerWaalsContact C-N 3.27Å; L123-K125 PolarHBondContact O-N 3.26Å; K125-T128 WeakPolarHBondContact O-CB 3.5Å; K125-T128 PolarHBondContact O-N 2.97Å; K125-I129 PolarHBondContact O-N 3Å |
| 126 | L | 71.5 | Confident | 70.6 | Confident | 35 Ų | 35 | 70.4 Ų | 70.4 | 18% | 0.183 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -52.2 | -46.8 | 176.9 | -75.9 | 176.3 | 0 | 0 | 0 | 115.3 | T94 I97 L107 L122 L123 T128 I129 S130 | T94-L126 HydrophobicContact CG2-CD2 3.82Å; I97-L126 HydrophobicContact CD1-CD2 4.14Å; I97-L126 HydrophobicContact CG2-CD2 4.33Å; L107-L126 HydrophobicContact CD1-CD1 4.41Å; L107-L126 HydrophobicContact CD2-CD1 4.02Å; L122-L126 WeakPolarHBondContact O-CG 3.39Å; L122-L126 PolarHBondContact O-N 2.88Å; L123-L126 HydrophobicContact CD2-CD1 3.72Å; L126-T128 VanDerWaalsContact C-N 3.26Å; L126-T128 PolarHBondContact O-N 3.35Å; L126-I129 PolarHBondContact O-N 3.44Å; L126-S130 PolarHBondContact O-N 3.02Å |
| 127 | P | 69.6 | Low | 69.1 | Low | 71 Ų | 71 | 71.3 Ų | 71.3 | 46% | 0.461 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.1 | -32.3 | -178.9 | 21.9 | -32.5 | 0 | 0 | 0 | 112.7 | L123 I129 Q131 | L123-P127 WeakPolarHBondContact O-CD 3.39Å; P127-I129 VanDerWaalsContact C-N 3.25Å; P127-I129 PolarHBondContact O-N 3.03Å; P127-Q131 WeakPolarHBondContact O-CG 3.4Å; P127-Q131 PolarHBondContact O-N 3.33Å |
| 128 | T | 65.8 | Low | 67.6 | Low | 62 Ų | 62 | 69.3 Ų | 69.3 | 38% | 0.38 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.3 | -31.1 | 175 | -49.5 | 0 | 0 | 0 | 0 | 111.9 | K125 L126 R132 | K125-T128 WeakPolarHBondContact O-CB 3.5Å; K125-T128 PolarHBondContact O-N 2.97Å; L126-T128 VanDerWaalsContact C-N 3.26Å; L126-T128 PolarHBondContact O-N 3.35Å; T128-R132 VanDerWaalsContact O-CG 3.32Å; T128-R132 WeakPolarHBondContact O-CG 3.38Å; T128-R132 PolarHBondContact O-N 2.96Å |
| 129 | I | 61.4 | Low | 66.2 | Low | 22 Ų | 22 | 74.7 Ų | 74.7 | 11% | 0.113 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -88 | -35.3 | -178.1 | -73.5 | 169 | 0 | 0 | 0 | 111.7 | T94 A98 K125 L126 P127 Q131 R132 I133 | T94-I129 VanDerWaalsContact CB-CD1 3.41Å; T94-I129 HydrophobicContact CG2-CB 4.13Å; T94-I129 HydrophobicContact CG2-CD1 3.13Å; T94-I129 HydrophobicContact CG2-CG1 4.14Å; T94-I129 HydrophobicContact CG2-CG2 4.26Å; A98-I129 HydrophobicContact CB-CG2 4.33Å; K125-I129 PolarHBondContact O-N 3Å; L126-I129 PolarHBondContact O-N 3.44Å; P127-I129 VanDerWaalsContact C-N 3.25Å; P127-I129 PolarHBondContact O-N 3.03Å; I129-Q131 VanDerWaalsContact C-N 3.27Å; I129-Q131 PolarHBondContact O-N 3.05Å; I129-R132 PolarHBondContact O-N 3.46Å; I129-I133 HydrophobicContact CG2-CD1 3.95Å; I129-I133 HydrophobicContact CG2-CG1 4.29Å; I129-I133 WeakPolarHBondContact O-CG1 3.32Å; I129-I133 PolarHBondContact O-N 3.43Å |
| 130 | S | 57.4 | Low | 64.7 | Low | 71 Ų | 71 | 76.4 Ų | 76.4 | 50% | 0.497 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -55.9 | -43.1 | 169 | 174.7 | 0 | 0 | 0 | 0 | 111.5 | L126 R132 I133 V134 | L126-S130 PolarHBondContact O-N 3.02Å; S130-R132 VanDerWaalsContact C-N 3.35Å; S130-R132 PolarHBondContact O-N 2.98Å; S130-I133 PolarHBondContact O-N 3.46Å; S130-V134 WeakPolarHBondContact O-CG2 3.4Å; S130-V134 PolarHBondContact O-N 3.16Å; S130-V134 VanDerWaalsContact O-N 3.09Å |
| 131 | Q | 58.9 | Low | 63.2 | Low | 137 Ų | 137 | 78.2 Ų | 78.2 | 64% | 0.64 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -63.6 | -37.4 | 174.1 | -71.8 | 178.2 | -6.6 | 0 | 0 | 113 | P127 I129 S135 | P127-Q131 WeakPolarHBondContact O-CG 3.4Å; P127-Q131 PolarHBondContact O-N 3.33Å; I129-Q131 VanDerWaalsContact C-N 3.27Å; I129-Q131 PolarHBondContact O-N 3.05Å; Q131-S135 WeakPolarHBondContact O-CB 3.47Å; Q131-S135 PolarHBondContact O-N 3.35Å; Q131-S135 PolarHBondContact O-OG 2.89Å |
| 132 | R | 57.6 | Low | 61.6 | Low | 164 Ų | 164 | 81.5 Ų | 81.5 | 62% | 0.619 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -69.9 | -38.5 | 177.4 | -74.5 | 174.2 | -175.7 | 173.6 | 3.6 | 112.8 | T128 I129 S130 S135 A136 | T128-R132 VanDerWaalsContact O-CG 3.32Å; T128-R132 WeakPolarHBondContact O-CG 3.38Å; T128-R132 PolarHBondContact O-N 2.96Å; I129-R132 PolarHBondContact O-N 3.46Å; S130-R132 VanDerWaalsContact C-N 3.35Å; S130-R132 PolarHBondContact O-N 2.98Å; R132-S135 PolarHBondContact O-N 3.36Å; R132-A136 VanDerWaalsContact O-CB 3.29Å; R132-A136 WeakPolarHBondContact O-CB 3.49Å; R132-A136 PolarHBondContact O-N 3Å |
| 133 | I | 56.8 | Low | 60.2 | Low | 64 Ų | 64 | 88.7 Ų | 88.7 | 33% | 0.328 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.5 | -46.6 | 177 | -66.2 | 169.1 | 0 | 0 | 0 | 109.8 | A98 I129 S130 S135 A136 Q137 | A98-I133 HydrophobicContact CB-CD1 4.08Å; I129-I133 HydrophobicContact CG2-CD1 3.95Å; I129-I133 HydrophobicContact CG2-CG1 4.29Å; I129-I133 WeakPolarHBondContact O-CG1 3.32Å; I129-I133 PolarHBondContact O-N 3.43Å; S130-I133 PolarHBondContact O-N 3.46Å; I133-S135 VanDerWaalsContact C-N 3.3Å; I133-S135 PolarHBondContact O-N 3.27Å; I133-A136 PolarHBondContact O-N 3.49Å; I133-Q137 HydrophobicContact CG2-CG 4.43Å; I133-Q137 WeakPolarHBondContact O-CB 3.4Å; I133-Q137 WeakPolarHBondContact O-CG 3.46Å; I133-Q137 PolarHBondContact O-N 2.94Å |
| 134 | V | 56.3 | Low | 58.8 | Low | 89 Ų | 89 | 91.4 Ų | 91.4 | 54% | 0.539 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.6 | -42.4 | 175.7 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | S130 Q137 S138 | S130-V134 WeakPolarHBondContact O-CG2 3.4Å; S130-V134 PolarHBondContact O-N 3.16Å; S130-V134 VanDerWaalsContact O-N 3.09Å; V134-Q137 PolarHBondContact O-N 3.48Å; V134-S138 PolarHBondContact O-N 3.5Å; V134-S138 PolarHBondContact O-OG 3.32Å |
| 135 | S | 56.4 | Low | 56.9 | Low | 65 Ų | 65 | 99.1 Ų | 99.1 | 46% | 0.455 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69.2 | -34.3 | 178.4 | -55.3 | 0 | 0 | 0 | 0 | 113.3 | Q131 R132 I133 S138 L139 | Q131-S135 WeakPolarHBondContact O-CB 3.47Å; Q131-S135 PolarHBondContact O-N 3.35Å; Q131-S135 PolarHBondContact O-OG 2.89Å; R132-S135 PolarHBondContact O-N 3.36Å; I133-S135 VanDerWaalsContact C-N 3.3Å; I133-S135 PolarHBondContact O-N 3.27Å; S135-S138 WeakPolarHBondContact CA-OG 3.29Å; S135-S138 PolarHBondContact O-OG 3.28Å; S135-L139 WeakPolarHBondContact O-CD1 3.33Å; S135-L139 WeakPolarHBondContact O-CG 3.39Å; S135-L139 PolarHBondContact O-N 3.37Å |
| 136 | A | 53.7 | Low | 56.1 | Low | 60 Ų | 60 | 100.7 Ų | 100.7 | 50% | 0.496 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -75.1 | -32.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | R132 I133 A140 | R132-A136 VanDerWaalsContact O-CB 3.29Å; R132-A136 WeakPolarHBondContact O-CB 3.49Å; R132-A136 PolarHBondContact O-N 3Å; I133-A136 PolarHBondContact O-N 3.49Å; A136-A140 PolarHBondContact O-N 3.34Å |
| 137 | Q | 51.2 | Low | 55.3 | Low | 119 Ų | 119 | 104.1 Ų | 104.1 | 56% | 0.556 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -69.9 | -43.1 | 173.5 | -74.2 | 175.3 | -24.6 | 0 | 0 | 111.3 | I133 V134 L139 A140 E141 | I133-Q137 HydrophobicContact CG2-CG 4.43Å; I133-Q137 WeakPolarHBondContact O-CB 3.4Å; I133-Q137 WeakPolarHBondContact O-CG 3.46Å; I133-Q137 PolarHBondContact O-N 2.94Å; V134-Q137 PolarHBondContact O-N 3.48Å; Q137-L139 VanDerWaalsContact C-N 3.3Å; Q137-L139 PolarHBondContact O-N 3.01Å; Q137-A140 PolarHBondContact O-N 3.26Å; Q137-A140 VanDerWaalsContact O-N 3.14Å; Q137-E141 PolarHBondContact O-N 3.29Å |
| 138 | S | 51.2 | Low | 54.5 | Low | 58 Ų | 58 | 105.9 Ų | 105.9 | 41% | 0.406 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.8 | -33.5 | 176.7 | 61.8 | 0 | 0 | 0 | 0 | 113.1 | V134 S135 A140 E141 | V134-S138 PolarHBondContact O-N 3.5Å; V134-S138 PolarHBondContact O-OG 3.32Å; S135-S138 WeakPolarHBondContact CA-OG 3.29Å; S135-S138 PolarHBondContact O-OG 3.28Å; S138-A140 VanDerWaalsContact C-N 3.33Å; S138-E141 PolarHBondContact O-N 3.38Å |
| 139 | L | 52.8 | Low | 53.8 | Low | 119 Ų | 119 | 108.5 Ų | 108.5 | 62% | 0.623 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -73.1 | -22.8 | 176.3 | -78 | 164.5 | 0 | 0 | 0 | 113.6 | S135 Q137 | S135-L139 WeakPolarHBondContact O-CD1 3.33Å; S135-L139 WeakPolarHBondContact O-CG 3.39Å; S135-L139 PolarHBondContact O-N 3.37Å; Q137-L139 VanDerWaalsContact C-N 3.3Å; Q137-L139 PolarHBondContact O-N 3.01Å |
| 140 | A | 54 | Low | 53.4 | Low | 62 Ų | 62 | 113.9 Ų | 113.9 | 51% | 0.512 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -82 | -18.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A136 Q137 S138 | A136-A140 PolarHBondContact O-N 3.34Å; Q137-A140 PolarHBondContact O-N 3.26Å; Q137-A140 VanDerWaalsContact O-N 3.14Å; S138-A140 VanDerWaalsContact C-N 3.33Å |
| 141 | E | 50.8 | Low | 53.1 | Low | 155 Ų | 155 | 116.8 Ų | 116.8 | 72% | 0.724 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -87.1 | -28.4 | 178.4 | -68.6 | -178.2 | 145.2 | 0 | 0 | 112.5 | Q137 S138 | Q137-E141 PolarHBondContact O-N 3.29Å; S138-E141 PolarHBondContact O-N 3.38Å |
| 142 | D | 50.3 | Low | 52.7 | Low | 131 Ų | 131 | 115.4 Ų | 115.4 | 70% | 0.701 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -13.3 | 178.6 | -89.3 | -36.7 | 0 | 0 | 0 | 114.8 | ||
| 143 | D | 52.4 | Low | 52.3 | Low | 150 Ų | 150 | 111.6 Ų | 111.6 | 80% | 0.802 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | 8.9 | 178 | -101 | -41.7 | 0 | 0 | 0 | 112.9 | ||
| 144 | V | 53.1 | Low | 51.9 | Low | 125 Ų | 125 | 115.6 Ų | 115.6 | 76% | 0.758 | 65% | 0.647 | S | S | * | * | trans | -115.8 | 3 | -175.3 | -173.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 145 | E | 41 | Very low | 51.5 | Low | 254 Ų | 254 | 118 Ų | 118 | 100% | 1.187 | 66% | 0.656 | S | S | * | * | trans | -111.4 | 0 | 168.8 | -102.9 | -172.8 | 158.4 | 0 | 0 | 112.6 |
Retrieved 145 of 145 residues in 910.8 ms
(Link to these results)