| 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 | 56.8 | Low | 69.4 | Low | 208 Ų | 208 | 121.9 Ų | 121.9 | 100% | 1.025 | 60% | 0.595 | S | S | * | * | 0 | -21.8 | 0 | -112.7 | -178 | 168.3 | 0 | 0 | 112 | W3 F4 | M1-W3 PolarHBondContact O-N 3.28Å; M1-F4 PolarHBondContact O-N 2.83Å | |||
| 2 | D | 65.1 | Low | 69.3 | Low | 128 Ų | 128 | 120.1 Ų | 120.1 | 68% | 0.684 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -68.4 | -29.2 | -170.7 | -51.5 | -29.1 | 0 | 0 | 0 | 115.7 | F4 M6 | D2-F4 PolarHBondContact O-N 2.97Å; D2-M6 PolarHBondContact O-N 3.44Å; D2-M6 VanDerWaalsContact O-N 3.16Å |
| 3 | W | 72.6 | Confident | 69.1 | Low | 184 Ų | 184 | 119.3 Ų | 119.3 | 70% | 0.697 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.1 | -36.7 | 179.3 | -174.5 | 77.2 | 0 | 0 | 0 | 113.1 | M1 H7 | M1-W3 PolarHBondContact O-N 3.28Å; W3-H7 AromaticContact CE2-CD2 3.82Å; W3-H7 AromaticContact CE2-NE2 3.58Å; W3-H7 AromaticContact CH2-CD2 3.6Å; W3-H7 AromaticContact CH2-NE2 3.76Å; W3-H7 AromaticContact CZ2-CD2 3.44Å; W3-H7 VanDerWaalsContact CZ2-CD2 3.44Å; W3-H7 WeakPolarHBondContact CZ2-CD2 3.18Å; W3-H7 AromaticContact CZ2-NE2 3.14Å; W3-H7 WeakPolarHBondContact CZ2-NE2 3.39Å; W3-H7 AromaticContact NE1-NE2 3.94Å; W3-H7 PolarHBondContact O-N 2.84Å |
| 4 | F | 70.2 | Confident | 68.7 | Low | 145 Ų | 145 | 123.6 Ų | 123.6 | 64% | 0.636 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -72.3 | -39 | 179.7 | -174.1 | -101 | 0 | 0 | 0 | 111.7 | M1 D2 M6 H7 C8 | M1-F4 PolarHBondContact O-N 2.83Å; D2-F4 PolarHBondContact O-N 2.97Å; F4-M6 VanDerWaalsContact C-N 3.34Å; F4-M6 PolarHBondContact O-N 2.84Å; F4-H7 PolarHBondContact O-N 3.04Å; F4-C8 VanDerWaalsContact CE1-SG 3.6Å; F4-C8 PolarHBondContact O-N 3.29Å; F4-C8 PolarHBondContact O-SG 3.41Å; F4-C8 VanDerWaalsContact O-SG 3.42Å |
| 5 | L | 72.1 | Confident | 68.2 | Low | 105 Ų | 105 | 123.3 Ų | 123.3 | 55% | 0.55 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63.7 | -39.9 | 175.8 | -78.7 | 162.4 | 0 | 0 | 0 | 111.7 | H7 C8 E9 | L5-H7 VanDerWaalsContact C-N 3.34Å; L5-H7 PolarHBondContact O-N 3.23Å; L5-C8 PolarHBondContact O-N 2.79Å; L5-E9 PolarHBondContact O-N 3.41Å |
| 6 | M | 72.1 | Confident | 67.8 | Low | 119 Ų | 119 | 121.7 Ų | 121.7 | 59% | 0.586 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -65.1 | -36.9 | 176.8 | -155.9 | -168.1 | -70.7 | 0 | 0 | 112.2 | D2 F4 V10 | D2-M6 PolarHBondContact O-N 3.44Å; D2-M6 VanDerWaalsContact O-N 3.16Å; F4-M6 VanDerWaalsContact C-N 3.34Å; F4-M6 PolarHBondContact O-N 2.84Å; M6-V10 WeakPolarHBondContact O-CG2 3.35Å; M6-V10 PolarHBondContact O-N 3.42Å; M6-V10 VanDerWaalsContact O-N 3.14Å |
| 7 | H | 69.3 | Low | 67.5 | Low | 88 Ų | 88 | 118.3 Ų | 118.3 | 41% | 0.407 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -71.9 | -35.2 | 174 | -84.2 | -0.1 | 0 | 0 | 0 | 113.3 | W3 F4 L5 I11 | W3-H7 AromaticContact CE2-CD2 3.82Å; W3-H7 AromaticContact CE2-NE2 3.58Å; W3-H7 AromaticContact CH2-CD2 3.6Å; W3-H7 AromaticContact CH2-NE2 3.76Å; W3-H7 AromaticContact CZ2-CD2 3.44Å; W3-H7 VanDerWaalsContact CZ2-CD2 3.44Å; W3-H7 WeakPolarHBondContact CZ2-CD2 3.18Å; W3-H7 AromaticContact CZ2-NE2 3.14Å; W3-H7 WeakPolarHBondContact CZ2-NE2 3.39Å; W3-H7 AromaticContact NE1-NE2 3.94Å; W3-H7 PolarHBondContact O-N 2.84Å; F4-H7 PolarHBondContact O-N 3.04Å; L5-H7 VanDerWaalsContact C-N 3.34Å; L5-H7 PolarHBondContact O-N 3.23Å; H7-I11 VanDerWaalsContact O-CG1 3.28Å; H7-I11 WeakPolarHBondContact O-CG1 3.37Å; H7-I11 PolarHBondContact O-N 3.32Å; H7-I11 VanDerWaalsContact O-N 3.08Å |
| 8 | C | 71.7 | Confident | 67 | Low | 44 Ų | 44 | 119.1 Ų | 119.1 | 30% | 0.297 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.7 | -40.9 | 172.8 | -72.6 | 0 | 0 | 0 | 0 | 112 | F4 L5 I11 I12 | F4-C8 VanDerWaalsContact CE1-SG 3.6Å; F4-C8 PolarHBondContact O-N 3.29Å; F4-C8 PolarHBondContact O-SG 3.41Å; F4-C8 VanDerWaalsContact O-SG 3.42Å; L5-C8 PolarHBondContact O-N 2.79Å; C8-I11 PolarHBondContact O-N 3.4Å; C8-I12 WeakPolarHBondContact O-CB 3.37Å; C8-I12 VanDerWaalsContact O-CG1 3.22Å; C8-I12 WeakPolarHBondContact O-CG1 3.46Å; C8-I12 PolarHBondContact O-N 3.29Å |
| 9 | E | 73.8 | Confident | 66.9 | Low | 131 Ų | 131 | 120.3 Ų | 120.3 | 61% | 0.612 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -62.7 | -44.2 | 175.1 | -81.6 | -175.1 | 161.1 | 0 | 0 | 112 | L5 I11 I12 D13 | L5-E9 PolarHBondContact O-N 3.41Å; E9-I11 VanDerWaalsContact C-N 3.32Å; E9-I11 PolarHBondContact O-N 2.82Å; E9-I12 PolarHBondContact O-N 2.97Å; E9-D13 WeakPolarHBondContact O-CB 3.24Å; E9-D13 PolarHBondContact O-N 3.47Å |
| 10 | V | 72.1 | Confident | 66.7 | Low | 88 Ų | 88 | 118.4 Ų | 118.4 | 53% | 0.533 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.5 | -38.7 | 176.9 | 172.7 | 0 | 0 | 0 | 0 | 111.8 | M6 Y14 | M6-V10 WeakPolarHBondContact O-CG2 3.35Å; M6-V10 PolarHBondContact O-N 3.42Å; M6-V10 VanDerWaalsContact O-N 3.14Å; V10-Y14 VanDerWaalsContact O-CB 3.3Å; V10-Y14 WeakPolarHBondContact O-CB 3.5Å; V10-Y14 PolarHBondContact O-N 3.48Å |
| 11 | I | 67.7 | Low | 66.8 | Low | 101 Ų | 101 | 120.3 Ų | 120.3 | 52% | 0.518 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -70.7 | -40 | 177.3 | -68.1 | 169 | 0 | 0 | 0 | 110.8 | H7 C8 E9 Y14 L15 | H7-I11 VanDerWaalsContact O-CG1 3.28Å; H7-I11 WeakPolarHBondContact O-CG1 3.37Å; H7-I11 PolarHBondContact O-N 3.32Å; H7-I11 VanDerWaalsContact O-N 3.08Å; C8-I11 PolarHBondContact O-N 3.4Å; E9-I11 VanDerWaalsContact C-N 3.32Å; E9-I11 PolarHBondContact O-N 2.82Å; I11-Y14 PolarHBondContact O-N 3.32Å; I11-L15 HydrophobicContact CG2-CD1 3.77Å; I11-L15 HydrophobicContact CG2-CG 4.32Å; I11-L15 WeakPolarHBondContact O-CB 3.29Å; I11-L15 VanDerWaalsContact O-CG 3.25Å; I11-L15 WeakPolarHBondContact O-CG 3.39Å; I11-L15 PolarHBondContact O-N 2.78Å |
| 12 | I | 68.8 | Low | 67.5 | Low | 100 Ų | 100 | 114.6 Ų | 114.6 | 51% | 0.513 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66 | -42.1 | 175.9 | -69.4 | 168.5 | 0 | 0 | 0 | 110.3 | C8 E9 L15 T16 | C8-I12 WeakPolarHBondContact O-CB 3.37Å; C8-I12 VanDerWaalsContact O-CG1 3.22Å; C8-I12 WeakPolarHBondContact O-CG1 3.46Å; C8-I12 PolarHBondContact O-N 3.29Å; E9-I12 PolarHBondContact O-N 2.97Å; I12-L15 PolarHBondContact O-N 3.09Å; I12-T16 HydrophobicContact CG2-CG2 4.22Å; I12-T16 VanDerWaalsContact O-CB 3.31Å; I12-T16 WeakPolarHBondContact O-CB 3.38Å; I12-T16 WeakPolarHBondContact O-CG2 3.25Å; I12-T16 PolarHBondContact O-N 2.88Å; I12-T16 PolarHBondContact O-OG1 3.34Å |
| 13 | D | 65.8 | Low | 67.7 | Low | 110 Ų | 110 | 110.2 Ų | 110.2 | 59% | 0.588 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.7 | -39.4 | 174.6 | -83.8 | -7.5 | 0 | 0 | 0 | 111.6 | E9 T16 A17 | E9-D13 WeakPolarHBondContact O-CB 3.24Å; E9-D13 PolarHBondContact O-N 3.47Å; D13-T16 WeakPolarHBondContact CA-OG1 3.35Å; D13-T16 PolarHBondContact O-OG1 3.09Å; D13-A17 WeakPolarHBondContact O-CB 3.39Å; D13-A17 PolarHBondContact O-N 3.35Å |
| 14 | Y | 63.7 | Low | 67.8 | Low | 179 Ų | 179 | 106 Ų | 106 | 70% | 0.702 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -67.8 | -40.5 | 175.9 | -161.2 | -93.4 | 0 | 0 | 0 | 112.2 | V10 I11 F18 | V10-Y14 VanDerWaalsContact O-CB 3.3Å; V10-Y14 WeakPolarHBondContact O-CB 3.5Å; V10-Y14 PolarHBondContact O-N 3.48Å; I11-Y14 PolarHBondContact O-N 3.32Å; Y14-F18 PolarHBondContact O-N 3.42Å |
| 15 | L | 61.1 | Low | 68.2 | Low | 120 Ų | 120 | 103.8 Ų | 103.8 | 63% | 0.628 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -74.9 | -30.9 | 178.1 | -70.4 | 172.4 | 0 | 0 | 0 | 112.8 | I11 I12 | I11-L15 HydrophobicContact CG2-CD1 3.77Å; I11-L15 HydrophobicContact CG2-CG 4.32Å; I11-L15 WeakPolarHBondContact O-CB 3.29Å; I11-L15 VanDerWaalsContact O-CG 3.25Å; I11-L15 WeakPolarHBondContact O-CG 3.39Å; I11-L15 PolarHBondContact O-N 2.78Å; I12-L15 PolarHBondContact O-N 3.09Å |
| 16 | T | 62.5 | Low | 68.5 | Low | 97 Ų | 97 | 104.1 Ų | 104.1 | 60% | 0.595 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -81.5 | -26.6 | 175.1 | 49.4 | 0 | 0 | 0 | 0 | 112.7 | I12 D13 F18 | I12-T16 HydrophobicContact CG2-CG2 4.22Å; I12-T16 VanDerWaalsContact O-CB 3.31Å; I12-T16 WeakPolarHBondContact O-CB 3.38Å; I12-T16 WeakPolarHBondContact O-CG2 3.25Å; I12-T16 PolarHBondContact O-N 2.88Å; I12-T16 PolarHBondContact O-OG1 3.34Å; D13-T16 WeakPolarHBondContact CA-OG1 3.35Å; D13-T16 PolarHBondContact O-OG1 3.09Å; T16-F18 VanDerWaalsContact C-N 3.3Å |
| 17 | A | 61.7 | Low | 68.7 | Low | 64 Ų | 64 | 104.8 Ų | 104.8 | 53% | 0.529 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -73.7 | -20.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113 | D13 K19 | D13-A17 WeakPolarHBondContact O-CB 3.39Å; D13-A17 PolarHBondContact O-N 3.35Å; A17-K19 PolarHBondContact O-N 2.9Å |
| 18 | F | 59.8 | Low | 69.2 | Low | 133 Ų | 133 | 106.1 Ų | 106.1 | 58% | 0.583 | 55% | 0.552 | S | S | * | * | trans | -71.7 | 75.9 | 174.4 | -156.5 | -97 | 0 | 0 | 0 | 110.7 | Y14 T16 A20 A23 | Y14-F18 PolarHBondContact O-N 3.42Å; T16-F18 VanDerWaalsContact C-N 3.3Å; F18-A20 PolarHBondContact O-N 3.09Å; F18-A23 HydrophobicContact CE1-CB 3.89Å; F18-A23 HydrophobicContact CZ-CB 4.16Å | ||
| 19 | K | 63.9 | Low | 69.7 | Low | 141 Ų | 141 | 108.7 Ų | 108.7 | 61% | 0.613 | 56% | 0.562 | S | S | * | * | trans | -65.5 | 126.4 | 177.1 | -76.3 | 174.6 | 178.8 | 169.4 | 0 | 108.5 | A17 K21 D22 | A17-K19 PolarHBondContact O-N 2.9Å; K19-K21 HydrophobicContact CB-CB 4.42Å; K19-K21 PolarHBondContact O-N 3.14Å; K19-D22 PolarHBondContact O-N 3.17Å | ||
| 20 | A | 63.9 | Low | 70 | Confident | 82 Ų | 82 | 108 Ų | 108 | 68% | 0.678 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -49.4 | -21.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | F18 L24 | F18-A20 PolarHBondContact O-N 3.09Å; A20-L24 WeakPolarHBondContact O-CB 3.33Å; A20-L24 PolarHBondContact O-N 3.37Å; A20-L24 VanDerWaalsContact O-N 3.07Å |
| 21 | K | 68.5 | Low | 70.4 | Confident | 159 Ų | 159 | 109.5 Ų | 109.5 | 69% | 0.691 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.5 | -35.9 | 173.7 | -164.2 | 177.1 | 179.7 | -177 | 0 | 113.4 | K19 M25 | K19-K21 HydrophobicContact CB-CB 4.42Å; K19-K21 PolarHBondContact O-N 3.14Å; K21-M25 WeakPolarHBondContact O-CB 3.43Å; K21-M25 PolarHBondContact O-N 3.45Å; K21-M25 VanDerWaalsContact O-N 3.13Å |
| 22 | D | 72 | Confident | 71.2 | Confident | 89 Ų | 89 | 111.6 Ų | 111.6 | 48% | 0.476 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -76.5 | -44.7 | -178.3 | -61 | -24.9 | 0 | 0 | 0 | 110.2 | K19 L24 M25 D26 | K19-D22 PolarHBondContact O-N 3.17Å; D22-L24 VanDerWaalsContact C-N 3.33Å; D22-L24 PolarHBondContact O-N 3.39Å; D22-M25 PolarHBondContact O-N 2.89Å; D22-D26 PolarHBondContact O-N 3.46Å |
| 23 | A | 68.7 | Low | 71.9 | Confident | 35 Ų | 35 | 110.4 Ų | 110.4 | 29% | 0.289 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.4 | -38.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | F18 M25 D26 M27 | F18-A23 HydrophobicContact CE1-CB 3.89Å; F18-A23 HydrophobicContact CZ-CB 4.16Å; A23-M25 VanDerWaalsContact C-N 3.29Å; A23-M25 PolarHBondContact O-N 3.43Å; A23-D26 PolarHBondContact O-N 3.15Å; A23-M27 PolarHBondContact O-N 3.35Å |
| 24 | L | 73.8 | Confident | 72.6 | Confident | 95 Ų | 95 | 108.7 Ų | 108.7 | 50% | 0.497 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65 | -34.9 | 174.1 | -177.1 | 66.8 | 0 | 0 | 0 | 111.7 | A20 D22 K28 | A20-L24 WeakPolarHBondContact O-CB 3.33Å; A20-L24 PolarHBondContact O-N 3.37Å; A20-L24 VanDerWaalsContact O-N 3.07Å; D22-L24 VanDerWaalsContact C-N 3.33Å; D22-L24 PolarHBondContact O-N 3.39Å; L24-K28 WeakPolarHBondContact O-CG 3.23Å; L24-K28 PolarHBondContact O-N 2.89Å |
| 25 | M | 78.9 | Confident | 73.4 | Confident | 99 Ų | 99 | 102.6 Ų | 102.6 | 49% | 0.488 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -73 | -38.8 | 179.6 | -162.1 | 47.4 | 66.5 | 0 | 0 | 111.5 | K21 D22 A23 K28 L29 | K21-M25 WeakPolarHBondContact O-CB 3.43Å; K21-M25 PolarHBondContact O-N 3.45Å; K21-M25 VanDerWaalsContact O-N 3.13Å; D22-M25 PolarHBondContact O-N 2.89Å; A23-M25 VanDerWaalsContact C-N 3.29Å; A23-M25 PolarHBondContact O-N 3.43Å; M25-K28 HydrophobicContact CE-CD 4.38Å; M25-K28 PolarHBondContact O-N 2.9Å; M25-K28 HydrophobicContact SD-CB 4.44Å; M25-K28 HydrophobicContact SD-CD 4.43Å; M25-L29 PolarHBondContact O-N 3.36Å |
| 26 | D | 78.3 | Confident | 74.4 | Confident | 113 Ų | 113 | 100.7 Ų | 100.7 | 60% | 0.604 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.1 | -42.5 | 172.6 | -74.4 | -18.8 | 0 | 0 | 0 | 112.3 | D22 A23 K28 L29 L30 | D22-D26 PolarHBondContact O-N 3.46Å; A23-D26 PolarHBondContact O-N 3.15Å; D26-K28 PolarHBondContact O-N 2.92Å; D26-L29 PolarHBondContact O-N 3.33Å; D26-L30 PolarHBondContact O-N 3.32Å |
| 27 | M | 76.9 | Confident | 75.2 | Confident | 132 Ų | 132 | 105.9 Ų | 105.9 | 65% | 0.65 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61 | -43.1 | 173.8 | -94.8 | -160.4 | -179.3 | 0 | 0 | 112.4 | A23 L29 L30 L31 | A23-M27 PolarHBondContact O-N 3.35Å; M27-L29 VanDerWaalsContact C-N 3.31Å; M27-L29 PolarHBondContact O-N 2.83Å; M27-L30 PolarHBondContact O-N 3.38Å; M27-L31 WeakPolarHBondContact O-CG 3.42Å; M27-L31 PolarHBondContact O-N 3.49Å |
| 28 | K | 80.5 | Confident | 76.1 | Confident | 116 Ų | 116 | 105.9 Ų | 105.9 | 50% | 0.504 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.3 | -40 | 175.9 | -77.2 | 179.8 | 177.4 | -174.4 | 0 | 111.4 | L24 M25 D26 L31 Y32 | L24-K28 WeakPolarHBondContact O-CG 3.23Å; L24-K28 PolarHBondContact O-N 2.89Å; M25-K28 HydrophobicContact CE-CD 4.38Å; M25-K28 PolarHBondContact O-N 2.9Å; M25-K28 HydrophobicContact SD-CB 4.44Å; M25-K28 HydrophobicContact SD-CD 4.43Å; D26-K28 PolarHBondContact O-N 2.92Å; K28-L31 PolarHBondContact O-N 2.98Å; K28-Y32 VanDerWaalsContact O-CB 3.29Å; K28-Y32 WeakPolarHBondContact O-CB 3.48Å; K28-Y32 PolarHBondContact O-N 3.05Å |
| 29 | L | 81.8 | Confident | 77.3 | Confident | 99 Ų | 99 | 105 Ų | 105 | 52% | 0.518 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 177.4 | -144.3 | 101.5 | 0 | 0 | 0 | 111.6 | M25 D26 M27 Y32 N33 | M25-L29 PolarHBondContact O-N 3.36Å; D26-L29 PolarHBondContact O-N 3.33Å; M27-L29 VanDerWaalsContact C-N 3.31Å; M27-L29 PolarHBondContact O-N 2.83Å; L29-Y32 PolarHBondContact O-N 3.39Å; L29-N33 WeakPolarHBondContact O-CB 3.44Å; L29-N33 VanDerWaalsContact O-CG 3.26Å; L29-N33 PolarHBondContact O-N 2.95Å; L29-N33 PolarHBondContact O-ND2 2.88Å; L29-N33 VanDerWaalsContact O-ND2 3.14Å |
| 30 | L | 79.6 | Confident | 78.2 | Confident | 115 Ų | 115 | 100.2 Ų | 100.2 | 60% | 0.602 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.9 | -48.4 | 175.7 | -171 | 81 | 0 | 0 | 0 | 111.4 | D26 M27 Y32 N33 C34 | D26-L30 PolarHBondContact O-N 3.32Å; M27-L30 PolarHBondContact O-N 3.38Å; L30-Y32 VanDerWaalsContact C-N 3.32Å; L30-Y32 PolarHBondContact O-N 3.41Å; L30-N33 PolarHBondContact O-N 3.44Å; L30-C34 WeakPolarHBondContact O-CB 3.43Å; L30-C34 PolarHBondContact O-N 3.5Å; L30-C34 PolarHBondContact O-SG 2.92Å |
| 31 | L | 80.2 | Confident | 79.2 | Confident | 121 Ų | 121 | 102.4 Ų | 102.4 | 63% | 0.634 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.8 | -41.6 | 177.5 | -76 | 169.7 | 0 | 0 | 0 | 111.8 | M27 K28 C34 S35 | M27-L31 WeakPolarHBondContact O-CG 3.42Å; M27-L31 PolarHBondContact O-N 3.49Å; K28-L31 PolarHBondContact O-N 2.98Å; L31-C34 PolarHBondContact O-N 2.86Å; L31-S35 WeakPolarHBondContact O-CB 3.27Å; L31-S35 PolarHBondContact O-N 3.39Å; L31-S35 PolarHBondContact O-OG 3.49Å |
| 32 | Y | 85.2 | Confident | 79.9 | Confident | 144 Ų | 144 | 99.2 Ų | 99.2 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.9 | -40.3 | 175.5 | -178.5 | -106 | 0 | 0 | 0 | 112.4 | K28 L29 L30 S35 L36 | K28-Y32 VanDerWaalsContact O-CB 3.29Å; K28-Y32 WeakPolarHBondContact O-CB 3.48Å; K28-Y32 PolarHBondContact O-N 3.05Å; L29-Y32 PolarHBondContact O-N 3.39Å; L30-Y32 VanDerWaalsContact C-N 3.32Å; L30-Y32 PolarHBondContact O-N 3.41Å; Y32-S35 WeakPolarHBondContact CA-OG 3.43Å; Y32-S35 PolarHBondContact O-N 2.93Å; Y32-S35 PolarHBondContact O-OG 3.05Å; Y32-L36 HydrophobicContact CD1-CD1 3.62Å; Y32-L36 HydrophobicContact CE1-CD1 3.17Å; Y32-L36 HydrophobicContact CE1-CG 4.3Å; Y32-L36 HydrophobicContact CE2-CD1 4.2Å; Y32-L36 HydrophobicContact CG-CD1 4.3Å; Y32-L36 VanDerWaalsContact CZ-CD1 3.49Å; Y32-L36 WeakPolarHBondContact O-CB 3.27Å; Y32-L36 PolarHBondContact O-N 3.14Å |
| 33 | N | 83 | Confident | 80.5 | Confident | 76 Ų | 76 | 98.4 Ų | 98.4 | 41% | 0.406 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.5 | -37.1 | 175.7 | -74.2 | -32.7 | 0 | 0 | 0 | 112.3 | L29 L30 R37 | L29-N33 WeakPolarHBondContact O-CB 3.44Å; L29-N33 VanDerWaalsContact O-CG 3.26Å; L29-N33 PolarHBondContact O-N 2.95Å; L29-N33 PolarHBondContact O-ND2 2.88Å; L29-N33 VanDerWaalsContact O-ND2 3.14Å; L30-N33 PolarHBondContact O-N 3.44Å; N33-R37 WeakPolarHBondContact O-CB 3.4Å; N33-R37 WeakPolarHBondContact O-CG 3.45Å; N33-R37 PolarHBondContact O-N 2.65Å |
| 34 | C | 80.1 | Confident | 81.3 | Confident | 74 Ų | 74 | 104.1 Ų | 104.1 | 50% | 0.5 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.7 | -41.8 | 173.8 | -75.5 | 0 | 0 | 0 | 0 | 111.8 | L30 L31 R37 S38 | L30-C34 WeakPolarHBondContact O-CB 3.43Å; L30-C34 PolarHBondContact O-N 3.5Å; L30-C34 PolarHBondContact O-SG 2.92Å; L31-C34 PolarHBondContact O-N 2.86Å; C34-R37 PolarHBondContact O-N 3.39Å; C34-S38 PolarHBondContact O-N 3.41Å; C34-S38 PolarHBondContact O-OG 2.97Å |
| 35 | S | 81.8 | Confident | 81.8 | Confident | 51 Ų | 51 | 103 Ų | 103 | 36% | 0.357 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.2 | -37.5 | 176.4 | 65 | 0 | 0 | 0 | 0 | 112.3 | L31 Y32 R37 S38 L39 | L31-S35 WeakPolarHBondContact O-CB 3.27Å; L31-S35 PolarHBondContact O-N 3.39Å; L31-S35 PolarHBondContact O-OG 3.49Å; Y32-S35 WeakPolarHBondContact CA-OG 3.43Å; Y32-S35 PolarHBondContact O-N 2.93Å; Y32-S35 PolarHBondContact O-OG 3.05Å; S35-R37 VanDerWaalsContact C-N 3.35Å; S35-S38 WeakPolarHBondContact CA-OG 3.3Å; S35-S38 PolarHBondContact O-N 3.45Å; S35-S38 PolarHBondContact O-OG 3.48Å; S35-L39 WeakPolarHBondContact O-CB 3.22Å; S35-L39 VanDerWaalsContact O-CG 3.26Å; S35-L39 WeakPolarHBondContact O-CG 3.28Å; S35-L39 PolarHBondContact O-N 3.24Å |
| 36 | L | 81.9 | Confident | 82 | Confident | 79 Ų | 79 | 104.7 Ų | 104.7 | 41% | 0.414 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 170.8 | -88.6 | 161.8 | 0 | 0 | 0 | 112.2 | Y32 L39 G40 | Y32-L36 HydrophobicContact CD1-CD1 3.62Å; Y32-L36 HydrophobicContact CE1-CD1 3.17Å; Y32-L36 HydrophobicContact CE1-CG 4.3Å; Y32-L36 HydrophobicContact CE2-CD1 4.2Å; Y32-L36 HydrophobicContact CG-CD1 4.3Å; Y32-L36 VanDerWaalsContact CZ-CD1 3.49Å; Y32-L36 WeakPolarHBondContact O-CB 3.27Å; Y32-L36 PolarHBondContact O-N 3.14Å; L36-L39 PolarHBondContact O-N 3.02Å; L36-G40 PolarHBondContact O-N 3.41Å |
| 37 | R | 79.2 | Confident | 82.3 | Confident | 206 Ų | 206 | 102.2 Ų | 102.2 | 78% | 0.777 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.7 | -40 | 175.8 | -80.8 | -174.3 | 177.3 | -172.1 | 0.7 | 112.4 | N33 C34 S35 G40 F41 | N33-R37 WeakPolarHBondContact O-CB 3.4Å; N33-R37 WeakPolarHBondContact O-CG 3.45Å; N33-R37 PolarHBondContact O-N 2.65Å; C34-R37 PolarHBondContact O-N 3.39Å; S35-R37 VanDerWaalsContact C-N 3.35Å; R37-G40 PolarHBondContact O-N 3.09Å; R37-F41 WeakPolarHBondContact O-CB 3.37Å; R37-F41 PolarHBondContact O-N 3.24Å |
| 38 | S | 81 | Confident | 82.7 | Confident | 64 Ų | 64 | 102 Ų | 102 | 45% | 0.448 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.6 | -42.4 | 175.9 | 66 | 0 | 0 | 0 | 0 | 111.2 | C34 S35 G40 F41 V42 | C34-S38 PolarHBondContact O-N 3.41Å; C34-S38 PolarHBondContact O-OG 2.97Å; S35-S38 WeakPolarHBondContact CA-OG 3.3Å; S35-S38 PolarHBondContact O-N 3.45Å; S35-S38 PolarHBondContact O-OG 3.48Å; S38-G40 VanDerWaalsContact C-N 3.34Å; S38-G40 PolarHBondContact O-N 3.09Å; S38-F41 WeakPolarHBondContact O-CB 3.48Å; S38-F41 PolarHBondContact O-N 3.12Å; S38-V42 WeakPolarHBondContact O-CG2 3.49Å; S38-V42 PolarHBondContact O-N 3.47Å |
| 39 | L | 84.8 | Confident | 82.8 | Confident | 114 Ų | 114 | 99.3 Ų | 99.3 | 60% | 0.597 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.3 | -43 | 172.8 | -72.6 | 170.4 | 0 | 0 | 0 | 111.9 | S35 L36 F41 V42 D43 | S35-L39 WeakPolarHBondContact O-CB 3.22Å; S35-L39 VanDerWaalsContact O-CG 3.26Å; S35-L39 WeakPolarHBondContact O-CG 3.28Å; S35-L39 PolarHBondContact O-N 3.24Å; L36-L39 PolarHBondContact O-N 3.02Å; L39-F41 VanDerWaalsContact C-N 3.32Å; L39-F41 PolarHBondContact O-N 3.47Å; L39-V42 PolarHBondContact O-N 3.28Å; L39-D43 WeakPolarHBondContact O-CB 3.27Å; L39-D43 PolarHBondContact O-N 3.38Å |
| 40 | G | 82.7 | Confident | 82.8 | Confident | 42 Ų | 42 | 99.1 Ų | 99.1 | 43% | 0.433 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.9 | -36.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | L36 R37 S38 D43 W44 | L36-G40 PolarHBondContact O-N 3.41Å; R37-G40 PolarHBondContact O-N 3.09Å; S38-G40 VanDerWaalsContact C-N 3.34Å; S38-G40 PolarHBondContact O-N 3.09Å; G40-D43 PolarHBondContact O-N 2.89Å; G40-W44 VanDerWaalsContact O-CB 3.29Å; G40-W44 WeakPolarHBondContact O-CB 3.33Å; G40-W44 PolarHBondContact O-N 3.49Å |
| 41 | F | 83.7 | Confident | 83.1 | Confident | 127 Ų | 127 | 96.9 Ų | 96.9 | 56% | 0.557 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68.8 | -42.4 | 174.5 | -178.1 | -107.4 | 0 | 0 | 0 | 112.2 | R37 S38 L39 D43 W44 I45 | R37-F41 WeakPolarHBondContact O-CB 3.37Å; R37-F41 PolarHBondContact O-N 3.24Å; S38-F41 WeakPolarHBondContact O-CB 3.48Å; S38-F41 PolarHBondContact O-N 3.12Å; L39-F41 VanDerWaalsContact C-N 3.32Å; L39-F41 PolarHBondContact O-N 3.47Å; F41-D43 VanDerWaalsContact C-N 3.33Å; F41-D43 PolarHBondContact O-N 3.44Å; F41-W44 HydrophobicContact CE2-CE3 4.31Å; F41-W44 WeakPolarHBondContact O-CB 3.43Å; F41-W44 PolarHBondContact O-N 3.06Å; F41-I45 HydrophobicContact CD1-CD1 3.91Å; F41-I45 HydrophobicContact CE1-CD1 3.43Å; F41-I45 VanDerWaalsContact CE1-CD1 3.43Å; F41-I45 HydrophobicContact CE1-CG1 4.33Å; F41-I45 HydrophobicContact CZ-CD1 3.79Å; F41-I45 HydrophobicContact CZ-CG1 4.33Å; F41-I45 WeakPolarHBondContact O-CG1 3.34Å; F41-I45 PolarHBondContact O-N 3.33Å |
| 42 | V | 84.5 | Confident | 83.2 | Confident | 92 Ų | 92 | 94.3 Ų | 94.3 | 56% | 0.558 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.2 | -42.9 | 173.7 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | S38 L39 W44 I45 R46 | S38-V42 WeakPolarHBondContact O-CG2 3.49Å; S38-V42 PolarHBondContact O-N 3.47Å; L39-V42 PolarHBondContact O-N 3.28Å; V42-W44 VanDerWaalsContact C-N 3.32Å; V42-W44 PolarHBondContact O-N 3.01Å; V42-I45 PolarHBondContact O-N 3.5Å; V42-R46 WeakPolarHBondContact O-CB 3.37Å; V42-R46 PolarHBondContact O-N 2.86Å |
| 43 | D | 83.1 | Confident | 83.1 | Confident | 72 Ų | 72 | 89.6 Ų | 89.6 | 39% | 0.385 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.4 | -34.7 | 178 | -161.4 | 50.2 | 0 | 0 | 0 | 112.2 | L39 G40 F41 R46 C47 | L39-D43 WeakPolarHBondContact O-CB 3.27Å; L39-D43 PolarHBondContact O-N 3.38Å; G40-D43 PolarHBondContact O-N 2.89Å; F41-D43 VanDerWaalsContact C-N 3.33Å; F41-D43 PolarHBondContact O-N 3.44Å; D43-R46 PolarHBondContact O-N 3.48Å; D43-R46 IonicContact OD1-CZ 3.16Å; D43-R46 IonicContact OD1-NE 2.81Å; D43-R46 PolarHBondContact OD1-NE 2.88Å; D43-R46 IonicContact OD1-NH2 2.68Å; D43-R46 PolarHBondContact OD1-NH2 2.92Å; D43-R46 IonicContact OD2-NH2 3.83Å; D43-C47 WeakPolarHBondContact O-CB 3.49Å; D43-C47 PolarHBondContact O-N 2.87Å; D43-C47 PolarHBondContact O-SG 3.49Å |
| 44 | W | 86.9 | Confident | 82.9 | Confident | 156 Ų | 156 | 95.6 Ų | 95.6 | 59% | 0.591 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.6 | -45.8 | 171.5 | -178.4 | 85.5 | 0 | 0 | 0 | 111.9 | G40 F41 V42 R46 C47 F48 | G40-W44 VanDerWaalsContact O-CB 3.29Å; G40-W44 WeakPolarHBondContact O-CB 3.33Å; G40-W44 PolarHBondContact O-N 3.49Å; F41-W44 HydrophobicContact CE2-CE3 4.31Å; F41-W44 WeakPolarHBondContact O-CB 3.43Å; F41-W44 PolarHBondContact O-N 3.06Å; V42-W44 VanDerWaalsContact C-N 3.32Å; V42-W44 PolarHBondContact O-N 3.01Å; W44-R46 VanDerWaalsContact C-N 3.35Å; W44-R46 PolarHBondContact O-N 3.42Å; W44-C47 PolarHBondContact O-N 2.91Å; W44-F48 VanDerWaalsContact O-CB 3.28Å; W44-F48 WeakPolarHBondContact O-CB 3.39Å; W44-F48 PolarHBondContact O-N 2.83Å |
| 45 | I | 84.3 | Confident | 83.2 | Confident | 70 Ų | 70 | 99.5 Ų | 99.5 | 36% | 0.359 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.8 | -46.5 | 174.1 | -69.3 | 170.9 | 0 | 0 | 0 | 110.4 | F41 V42 C47 F48 C49 | F41-I45 HydrophobicContact CD1-CD1 3.91Å; F41-I45 HydrophobicContact CE1-CD1 3.43Å; F41-I45 VanDerWaalsContact CE1-CD1 3.43Å; F41-I45 HydrophobicContact CE1-CG1 4.33Å; F41-I45 HydrophobicContact CZ-CD1 3.79Å; F41-I45 HydrophobicContact CZ-CG1 4.33Å; F41-I45 WeakPolarHBondContact O-CG1 3.34Å; F41-I45 PolarHBondContact O-N 3.33Å; V42-I45 PolarHBondContact O-N 3.5Å; I45-C47 PolarHBondContact O-N 3.3Å; I45-F48 PolarHBondContact O-N 2.79Å; I45-C49 WeakPolarHBondContact O-CB 3.41Å; I45-C49 PolarHBondContact O-N 3.5Å; I45-C49 PolarHBondContact O-SG 3.32Å; I45-C49 VanDerWaalsContact O-SG 3.34Å |
| 46 | R | 82.7 | Confident | 83.4 | Confident | 135 Ų | 135 | 99.9 Ų | 99.9 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.7 | -48.2 | 178.7 | -175.2 | -174.7 | 69.5 | 94.7 | 2.6 | 111.1 | V42 D43 W44 N50 | V42-R46 WeakPolarHBondContact O-CB 3.37Å; V42-R46 PolarHBondContact O-N 2.86Å; D43-R46 PolarHBondContact O-N 3.48Å; D43-R46 IonicContact OD1-CZ 3.16Å; D43-R46 IonicContact OD1-NE 2.81Å; D43-R46 PolarHBondContact OD1-NE 2.88Å; D43-R46 IonicContact OD1-NH2 2.68Å; D43-R46 PolarHBondContact OD1-NH2 2.92Å; D43-R46 IonicContact OD2-NH2 3.83Å; W44-R46 VanDerWaalsContact C-N 3.35Å; W44-R46 PolarHBondContact O-N 3.42Å; R46-N50 VanDerWaalsContact O-CB 3.27Å; R46-N50 WeakPolarHBondContact O-CB 3.22Å; R46-N50 PolarHBondContact O-N 3.4Å; R46-N50 PolarHBondContact O-ND2 3.09Å |
| 47 | C | 85.6 | Confident | 83.5 | Confident | 61 Ų | 61 | 101.5 Ų | 101.5 | 41% | 0.412 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 177.5 | -72.2 | 0 | 0 | 0 | 0 | 111.8 | D43 W44 I45 N50 A51 | D43-C47 WeakPolarHBondContact O-CB 3.49Å; D43-C47 PolarHBondContact O-N 2.87Å; D43-C47 PolarHBondContact O-SG 3.49Å; W44-C47 PolarHBondContact O-N 2.91Å; I45-C47 PolarHBondContact O-N 3.3Å; C47-N50 PolarHBondContact O-N 3Å; C47-A51 VanDerWaalsContact O-CB 3.23Å; C47-A51 WeakPolarHBondContact O-CB 3.21Å; C47-A51 PolarHBondContact O-N 3.24Å |
| 48 | F | 85.1 | Confident | 83.9 | Confident | 127 Ų | 127 | 97.2 Ų | 97.2 | 56% | 0.557 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.1 | -49.9 | 177.4 | 179.8 | -95.6 | 0 | 0 | 0 | 111.8 | W44 I45 N50 A51 A52 | W44-F48 VanDerWaalsContact O-CB 3.28Å; W44-F48 WeakPolarHBondContact O-CB 3.39Å; W44-F48 PolarHBondContact O-N 2.83Å; I45-F48 PolarHBondContact O-N 2.79Å; F48-N50 PolarHBondContact O-N 2.77Å; F48-A51 PolarHBondContact O-N 3.5Å; F48-A52 WeakPolarHBondContact O-CB 3.33Å; F48-A52 PolarHBondContact O-N 2.94Å |
| 49 | C | 80.8 | Confident | 84.3 | Confident | 60 Ų | 60 | 101.7 Ų | 101.7 | 41% | 0.405 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 176.7 | -68.8 | 0 | 0 | 0 | 0 | 111.6 | I45 A51 A52 C53 | I45-C49 WeakPolarHBondContact O-CB 3.41Å; I45-C49 PolarHBondContact O-N 3.5Å; I45-C49 PolarHBondContact O-SG 3.32Å; I45-C49 VanDerWaalsContact O-SG 3.34Å; C49-A51 VanDerWaalsContact C-N 3.33Å; C49-A51 PolarHBondContact O-N 3.01Å; C49-A52 PolarHBondContact O-N 3.26Å; C49-C53 VanDerWaalsContact O-CB 3.27Å; C49-C53 WeakPolarHBondContact O-CB 3.24Å; C49-C53 PolarHBondContact O-N 3.34Å; C49-C53 PolarHBondContact O-SG 2.88Å; C49-C53 VanDerWaalsContact O-SG 3.36Å |
| 50 | N | 82.9 | Confident | 84.5 | Confident | 96 Ų | 96 | 98.5 Ų | 98.5 | 51% | 0.513 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.6 | -34.2 | 177.6 | -72.6 | -13.2 | 0 | 0 | 0 | 112.6 | R46 C47 F48 R54 | R46-N50 VanDerWaalsContact O-CB 3.27Å; R46-N50 WeakPolarHBondContact O-CB 3.22Å; R46-N50 PolarHBondContact O-N 3.4Å; R46-N50 PolarHBondContact O-ND2 3.09Å; C47-N50 PolarHBondContact O-N 3Å; F48-N50 PolarHBondContact O-N 2.77Å; N50-R54 PolarHBondContact O-N 3.43Å |
| 51 | A | 85.4 | Confident | 84.8 | Confident | 67 Ų | 67 | 98.8 Ų | 98.8 | 55% | 0.554 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -70.4 | -44.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | C47 F48 C49 C53 R54 | C47-A51 VanDerWaalsContact O-CB 3.23Å; C47-A51 WeakPolarHBondContact O-CB 3.21Å; C47-A51 PolarHBondContact O-N 3.24Å; F48-A51 PolarHBondContact O-N 3.5Å; C49-A51 VanDerWaalsContact C-N 3.33Å; C49-A51 PolarHBondContact O-N 3.01Å; A51-C53 VanDerWaalsContact C-N 3.32Å; A51-C53 PolarHBondContact O-N 3.39Å; A51-R54 WeakPolarHBondContact O-CB 3.28Å; A51-R54 PolarHBondContact O-N 2.99Å |
| 52 | A | 82.6 | Confident | 85.1 | Confident | 67 Ų | 67 | 95.3 Ų | 95.3 | 55% | 0.554 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.7 | -32.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | F48 C49 | F48-A52 WeakPolarHBondContact O-CB 3.33Å; F48-A52 PolarHBondContact O-N 2.94Å; C49-A52 PolarHBondContact O-N 3.26Å |
| 53 | C | 82.6 | Confident | 85.4 | Confident | 45 Ų | 45 | 93 Ų | 93 | 30% | 0.304 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 9.9 | 180 | -62.4 | 0 | 0 | 0 | 0 | 114 | C49 A51 D55 L56 V61 | C49-C53 VanDerWaalsContact O-CB 3.27Å; C49-C53 WeakPolarHBondContact O-CB 3.24Å; C49-C53 PolarHBondContact O-N 3.34Å; C49-C53 PolarHBondContact O-SG 2.88Å; C49-C53 VanDerWaalsContact O-SG 3.36Å; A51-C53 VanDerWaalsContact C-N 3.32Å; A51-C53 PolarHBondContact O-N 3.39Å; C53-D55 VanDerWaalsContact C-N 3.26Å; C53-D55 PolarHBondContact O-N 3.3Å; C53-L56 HydrophobicContact CB-CD1 4.38Å; C53-L56 PolarHBondContact O-N 3.36Å; C53-L56 VanDerWaalsContact O-N 3.16Å; C53-V61 HydrophobicContact CB-CG2 4.07Å |
| 54 | R | 79.7 | Confident | 85.8 | Confident | 203 Ų | 203 | 96 Ų | 96 | 77% | 0.766 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -36.5 | -173.7 | 179.5 | 178.5 | -87.8 | -168.2 | -4.9 | 113.2 | N50 A51 | N50-R54 PolarHBondContact O-N 3.43Å; A51-R54 WeakPolarHBondContact O-CB 3.28Å; A51-R54 PolarHBondContact O-N 2.99Å |
| 55 | D | 86 | Confident | 86 | Confident | 155 Ų | 155 | 92.1 Ų | 92.1 | 83% | 0.829 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 6.3 | -176.8 | -56.7 | -37.9 | 0 | 0 | 0 | 113 | C53 | C53-D55 VanDerWaalsContact C-N 3.26Å; C53-D55 PolarHBondContact O-N 3.3Å |
| 56 | L | 85.1 | Confident | 86.4 | Confident | 59 Ų | 59 | 95.6 Ų | 95.6 | 31% | 0.309 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -99.5 | 137.8 | -178.3 | -65.2 | 177.3 | 0 | 0 | 0 | 111.3 | C53 Q60 V61 Y64 | C53-L56 HydrophobicContact CB-CD1 4.38Å; C53-L56 PolarHBondContact O-N 3.36Å; C53-L56 VanDerWaalsContact O-N 3.16Å; L56-Q60 HydrophobicContact CB-CB 4.41Å; L56-Q60 HydrophobicContact CD2-CB 4.43Å; L56-V61 HydrophobicContact CB-CG2 3.99Å; L56-V61 HydrophobicContact CD1-CG2 4.44Å; L56-Y64 HydrophobicContact CD1-CD2 4.09Å; L56-Y64 HydrophobicContact CD1-CE2 3.92Å; L56-Y64 HydrophobicContact CD2-CE2 4.01Å |
| 57 | E | 85.9 | Confident | 86.9 | Confident | 114 Ų | 114 | 95.5 Ų | 95.5 | 53% | 0.533 | 51% | 0.505 | S | S | . | . | trans | -71.6 | 151.1 | 172.3 | -65.6 | -172.4 | 158.8 | 0 | 0 | 110.7 | W59 Q60 V61 | E57-W59 PolarHBondContact O-N 3.47Å; E57-W59 VanDerWaalsContact O-N 3.08Å; E57-W59 PolarHBondContact OE2-NE1 3.33Å; E57-Q60 HydrophobicContact CB-CG 4.3Å; E57-Q60 WeakPolarHBondContact O-CB 3.39Å; E57-Q60 PolarHBondContact O-N 3.49Å; E57-V61 PolarHBondContact O-N 3.18Å | ||
| 58 | P | 86.9 | Confident | 87.2 | Confident | 116 Ų | 116 | 98.2 Ų | 98.2 | 75% | 0.753 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -54.7 | -34.3 | -175.9 | -28.2 | 34.9 | 0 | 0 | 0 | 114.7 | A62 | P58-A62 PolarHBondContact O-N 3.04Å |
| 59 | W | 88.9 | Confident | 87.6 | Confident | 158 Ų | 158 | 96.7 Ų | 96.7 | 60% | 0.598 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -71.4 | -30.1 | 177.5 | 73.7 | -92.1 | 0 | 0 | 0 | 112.6 | E57 A62 A63 | E57-W59 PolarHBondContact O-N 3.47Å; E57-W59 VanDerWaalsContact O-N 3.08Å; E57-W59 PolarHBondContact OE2-NE1 3.33Å; W59-A62 PolarHBondContact O-N 3.17Å; W59-A63 WeakPolarHBondContact O-CB 3.3Å; W59-A63 PolarHBondContact O-N 3.3Å |
| 60 | Q | 90 | Very high | 88.2 | Confident | 47 Ų | 47 | 96.3 Ų | 96.3 | 22% | 0.22 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -68.8 | -41.8 | 176.5 | -63.9 | 178.1 | -41 | 0 | 0 | 110.3 | L56 E57 A62 A63 Y64 | L56-Q60 HydrophobicContact CB-CB 4.41Å; L56-Q60 HydrophobicContact CD2-CB 4.43Å; E57-Q60 HydrophobicContact CB-CG 4.3Å; E57-Q60 WeakPolarHBondContact O-CB 3.39Å; E57-Q60 PolarHBondContact O-N 3.49Å; Q60-A62 VanDerWaalsContact C-N 3.33Å; Q60-A62 PolarHBondContact O-N 2.96Å; Q60-A63 PolarHBondContact O-N 3.05Å; Q60-Y64 HydrophobicContact CB-CD2 4.47Å; Q60-Y64 HydrophobicContact CB-CE2 4.07Å; Q60-Y64 WeakPolarHBondContact O-CB 3.33Å; Q60-Y64 WeakPolarHBondContact O-CD2 3.32Å; Q60-Y64 VanDerWaalsContact O-CG 3.27Å; Q60-Y64 PolarHBondContact O-N 3.11Å |
| 61 | V | 88.7 | Confident | 88.6 | Confident | 48 Ų | 48 | 94.8 Ų | 94.8 | 29% | 0.291 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.9 | -45.9 | 174.4 | -178 | 0 | 0 | 0 | 0 | 110.3 | C53 L56 E57 A63 Y64 T65 | C53-V61 HydrophobicContact CB-CG2 4.07Å; L56-V61 HydrophobicContact CB-CG2 3.99Å; L56-V61 HydrophobicContact CD1-CG2 4.44Å; E57-V61 PolarHBondContact O-N 3.18Å; V61-A63 PolarHBondContact O-N 3.43Å; V61-Y64 PolarHBondContact O-N 3.43Å; V61-T65 HydrophobicContact CG1-CG2 4.42Å; V61-T65 VanDerWaalsContact O-CG2 3.25Å; V61-T65 WeakPolarHBondContact O-CG2 3.43Å; V61-T65 PolarHBondContact O-N 3.18Å; V61-T65 PolarHBondContact O-OG1 3.22Å; V61-T65 VanDerWaalsContact O-OG1 3.08Å |
| 62 | A | 89.8 | Confident | 88.9 | Confident | 54 Ų | 54 | 96 Ų | 96 | 45% | 0.446 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.3 | -38.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | P58 W59 Q60 T65 F66 | P58-A62 PolarHBondContact O-N 3.04Å; W59-A62 PolarHBondContact O-N 3.17Å; Q60-A62 VanDerWaalsContact C-N 3.33Å; Q60-A62 PolarHBondContact O-N 2.96Å; A62-T65 WeakPolarHBondContact CA-OG1 3.24Å; A62-T65 PolarHBondContact O-OG1 2.98Å; A62-F66 VanDerWaalsContact O-CB 3.26Å; A62-F66 WeakPolarHBondContact O-CB 3.37Å; A62-F66 PolarHBondContact O-N 2.92Å |
| 63 | A | 91.4 | Very high | 89.2 | Confident | 44 Ų | 44 | 97.6 Ų | 97.6 | 36% | 0.364 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.4 | -42.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | W59 Q60 V61 F67 | W59-A63 WeakPolarHBondContact O-CB 3.3Å; W59-A63 PolarHBondContact O-N 3.3Å; Q60-A63 PolarHBondContact O-N 3.05Å; V61-A63 PolarHBondContact O-N 3.43Å; A63-F67 VanDerWaalsContact O-CB 3.29Å; A63-F67 WeakPolarHBondContact O-CB 3.18Å; A63-F67 PolarHBondContact O-N 3.06Å |
| 64 | Y | 90.2 | Very high | 89.3 | Confident | 135 Ų | 135 | 103 Ų | 103 | 53% | 0.529 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.3 | -39.7 | 177.6 | -64.9 | -40.5 | 0 | 0 | 0 | 112.6 | L56 Q60 V61 F67 F68 | L56-Y64 HydrophobicContact CD1-CD2 4.09Å; L56-Y64 HydrophobicContact CD1-CE2 3.92Å; L56-Y64 HydrophobicContact CD2-CE2 4.01Å; Q60-Y64 HydrophobicContact CB-CD2 4.47Å; Q60-Y64 HydrophobicContact CB-CE2 4.07Å; Q60-Y64 WeakPolarHBondContact O-CB 3.33Å; Q60-Y64 WeakPolarHBondContact O-CD2 3.32Å; Q60-Y64 VanDerWaalsContact O-CG 3.27Å; Q60-Y64 PolarHBondContact O-N 3.11Å; V61-Y64 PolarHBondContact O-N 3.43Å; Y64-F67 PolarHBondContact O-N 2.74Å; Y64-F68 WeakPolarHBondContact O-CB 3.37Å; Y64-F68 PolarHBondContact O-N 3.42Å |
| 65 | T | 90.7 | Very high | 89.5 | Confident | 73 Ų | 73 | 95.3 Ų | 95.3 | 45% | 0.448 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.1 | -44.3 | 175.4 | 55.4 | 0 | 0 | 0 | 0 | 110.8 | V61 A62 F68 I69 | V61-T65 HydrophobicContact CG1-CG2 4.42Å; V61-T65 VanDerWaalsContact O-CG2 3.25Å; V61-T65 WeakPolarHBondContact O-CG2 3.43Å; V61-T65 PolarHBondContact O-N 3.18Å; V61-T65 PolarHBondContact O-OG1 3.22Å; V61-T65 VanDerWaalsContact O-OG1 3.08Å; A62-T65 WeakPolarHBondContact CA-OG1 3.24Å; A62-T65 PolarHBondContact O-OG1 2.98Å; T65-F68 PolarHBondContact O-N 3.39Å; T65-I69 WeakPolarHBondContact O-CB 3.33Å; T65-I69 VanDerWaalsContact O-CG1 3.24Å; T65-I69 WeakPolarHBondContact O-CG1 3.33Å; T65-I69 PolarHBondContact O-N 2.93Å |
| 66 | F | 93.1 | Very high | 89.2 | Confident | 144 Ų | 144 | 93.4 Ų | 93.4 | 63% | 0.632 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -59.7 | -47.3 | 174.2 | -177.7 | -99.6 | 0 | 0 | 0 | 111.7 | A62 F68 I69 C70 | A62-F66 VanDerWaalsContact O-CB 3.26Å; A62-F66 WeakPolarHBondContact O-CB 3.37Å; A62-F66 PolarHBondContact O-N 2.92Å; F66-F68 VanDerWaalsContact C-N 3.35Å; F66-F68 PolarHBondContact O-N 3.32Å; F66-I69 PolarHBondContact O-N 3.18Å; F66-C70 VanDerWaalsContact CE1-SG 3.59Å; F66-C70 VanDerWaalsContact CZ-SG 3.56Å; F66-C70 WeakPolarHBondContact O-CB 3.34Å; F66-C70 PolarHBondContact O-N 3.33Å; F66-C70 PolarHBondContact O-SG 3.31Å; F66-C70 VanDerWaalsContact O-SG 3.36Å |
| 67 | F | 93.8 | Very high | 88.9 | Confident | 132 Ų | 132 | 93.1 Ų | 93.1 | 58% | 0.579 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -59.2 | -44.2 | 176.7 | 177.8 | -96.3 | 0 | 0 | 0 | 112.1 | A63 Y64 C70 L71 | A63-F67 VanDerWaalsContact O-CB 3.29Å; A63-F67 WeakPolarHBondContact O-CB 3.18Å; A63-F67 PolarHBondContact O-N 3.06Å; Y64-F67 PolarHBondContact O-N 2.74Å; F67-C70 PolarHBondContact O-N 2.99Å; F67-L71 HydrophobicContact CE1-CD2 4.34Å; F67-L71 VanDerWaalsContact O-CB 3.27Å; F67-L71 WeakPolarHBondContact O-CB 3.38Å; F67-L71 PolarHBondContact O-N 3.38Å |
| 68 | F | 91.5 | Very high | 88.2 | Confident | 119 Ų | 119 | 89.5 Ų | 89.5 | 52% | 0.522 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68.1 | -39.3 | 179.6 | -166.6 | -103.3 | 0 | 0 | 0 | 111.9 | Y64 T65 F66 L71 L72 | Y64-F68 WeakPolarHBondContact O-CB 3.37Å; Y64-F68 PolarHBondContact O-N 3.42Å; T65-F68 PolarHBondContact O-N 3.39Å; F66-F68 VanDerWaalsContact C-N 3.35Å; F66-F68 PolarHBondContact O-N 3.32Å; F68-L71 PolarHBondContact O-N 2.98Å; F68-L72 HydrophobicContact CD1-CD1 3.71Å; F68-L72 HydrophobicContact CD1-CG 4.08Å; F68-L72 HydrophobicContact CE1-CD1 3.49Å; F68-L72 VanDerWaalsContact CE1-CD1 3.49Å; F68-L72 HydrophobicContact CE1-CD2 4.25Å; F68-L72 HydrophobicContact CE1-CG 3.88Å; F68-L72 HydrophobicContact CZ-CD1 4.34Å; F68-L72 HydrophobicContact CZ-CD2 4.3Å; F68-L72 HydrophobicContact CZ-CG 4.33Å; F68-L72 WeakPolarHBondContact O-CB 3.41Å; F68-L72 VanDerWaalsContact O-CG 3.31Å; F68-L72 WeakPolarHBondContact O-CG 3.12Å; F68-L72 PolarHBondContact O-N 2.91Å |
| 69 | I | 93.4 | Very high | 87.5 | Confident | 95 Ų | 95 | 90.4 Ų | 90.4 | 49% | 0.487 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.4 | -47.9 | 173 | -68.4 | 165.6 | 0 | 0 | 0 | 110.2 | T65 F66 L71 L72 L73 | T65-I69 WeakPolarHBondContact O-CB 3.33Å; T65-I69 VanDerWaalsContact O-CG1 3.24Å; T65-I69 WeakPolarHBondContact O-CG1 3.33Å; T65-I69 PolarHBondContact O-N 2.93Å; F66-I69 PolarHBondContact O-N 3.18Å; I69-L71 VanDerWaalsContact C-N 3.3Å; I69-L71 PolarHBondContact O-N 3.5Å; I69-L72 PolarHBondContact O-N 3.45Å; I69-L73 HydrophobicContact CG2-CD1 4.02Å; I69-L73 HydrophobicContact CG2-CG 4.41Å; I69-L73 WeakPolarHBondContact O-CG 3.44Å; I69-L73 PolarHBondContact O-N 2.9Å |
| 70 | C | 93.4 | Very high | 86.5 | Confident | 51 Ų | 51 | 86.9 Ų | 86.9 | 35% | 0.345 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.9 | -38.5 | 175.6 | -71.4 | 0 | 0 | 0 | 0 | 112.3 | F66 F67 W74 | F66-C70 VanDerWaalsContact CE1-SG 3.59Å; F66-C70 VanDerWaalsContact CZ-SG 3.56Å; F66-C70 WeakPolarHBondContact O-CB 3.34Å; F66-C70 PolarHBondContact O-N 3.33Å; F66-C70 PolarHBondContact O-SG 3.31Å; F66-C70 VanDerWaalsContact O-SG 3.36Å; F67-C70 PolarHBondContact O-N 2.99Å; C70-W74 WeakPolarHBondContact O-CB 3.38Å; C70-W74 PolarHBondContact O-N 3.03Å |
| 71 | L | 92.6 | Very high | 85.1 | Confident | 64 Ų | 64 | 90.3 Ų | 90.3 | 34% | 0.335 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.2 | -41 | 176 | -177.3 | 68.8 | 0 | 0 | 0 | 111.3 | F67 F68 I69 W74 C75 | F67-L71 HydrophobicContact CE1-CD2 4.34Å; F67-L71 VanDerWaalsContact O-CB 3.27Å; F67-L71 WeakPolarHBondContact O-CB 3.38Å; F67-L71 PolarHBondContact O-N 3.38Å; F68-L71 PolarHBondContact O-N 2.98Å; I69-L71 VanDerWaalsContact C-N 3.3Å; I69-L71 PolarHBondContact O-N 3.5Å; L71-W74 HydrophobicContact CD1-CE3 4.05Å; L71-W74 HydrophobicContact CD1-CZ3 4.44Å; L71-W74 PolarHBondContact O-N 3.07Å; L71-C75 WeakPolarHBondContact O-CB 3.3Å; L71-C75 PolarHBondContact O-N 3.04Å; L71-C75 PolarHBondContact O-SG 2.9Å |
| 72 | L | 90.1 | Very high | 83.8 | Confident | 94 Ų | 94 | 94.4 Ų | 94.4 | 49% | 0.492 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.9 | -46.1 | 175.4 | -74.8 | 177.2 | 0 | 0 | 0 | 111.5 | F68 I69 W74 C75 E76 | F68-L72 HydrophobicContact CD1-CD1 3.71Å; F68-L72 HydrophobicContact CD1-CG 4.08Å; F68-L72 HydrophobicContact CE1-CD1 3.49Å; F68-L72 VanDerWaalsContact CE1-CD1 3.49Å; F68-L72 HydrophobicContact CE1-CD2 4.25Å; F68-L72 HydrophobicContact CE1-CG 3.88Å; F68-L72 HydrophobicContact CZ-CD1 4.34Å; F68-L72 HydrophobicContact CZ-CD2 4.3Å; F68-L72 HydrophobicContact CZ-CG 4.33Å; F68-L72 WeakPolarHBondContact O-CB 3.41Å; F68-L72 VanDerWaalsContact O-CG 3.31Å; F68-L72 WeakPolarHBondContact O-CG 3.12Å; F68-L72 PolarHBondContact O-N 2.91Å; I69-L72 PolarHBondContact O-N 3.45Å; L72-W74 VanDerWaalsContact C-N 3.32Å; L72-W74 PolarHBondContact O-N 3.01Å; L72-C75 PolarHBondContact O-N 3.2Å; L72-E76 WeakPolarHBondContact O-CB 3.29Å; L72-E76 PolarHBondContact O-N 2.95Å |
| 73 | L | 89.3 | Confident | 82.7 | Confident | 100 Ų | 100 | 101.4 Ų | 101.4 | 52% | 0.524 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.8 | -36.9 | 175.2 | -67.4 | 174.3 | 0 | 0 | 0 | 112 | I69 E76 S77 | I69-L73 HydrophobicContact CG2-CD1 4.02Å; I69-L73 HydrophobicContact CG2-CG 4.41Å; I69-L73 WeakPolarHBondContact O-CG 3.44Å; I69-L73 PolarHBondContact O-N 2.9Å; L73-E76 PolarHBondContact O-N 3.05Å; L73-S77 WeakPolarHBondContact O-CB 3.31Å; L73-S77 PolarHBondContact O-N 3.21Å; L73-S77 PolarHBondContact O-OG 3.12Å |
| 74 | W | 85.2 | Confident | 81.8 | Confident | 157 Ų | 157 | 103.2 Ų | 103.2 | 60% | 0.595 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.9 | -43 | 174.5 | -178.7 | 73.9 | 0 | 0 | 0 | 111.8 | C70 L71 L72 S77 I78 | C70-W74 WeakPolarHBondContact O-CB 3.38Å; C70-W74 PolarHBondContact O-N 3.03Å; L71-W74 HydrophobicContact CD1-CE3 4.05Å; L71-W74 HydrophobicContact CD1-CZ3 4.44Å; L71-W74 PolarHBondContact O-N 3.07Å; L72-W74 VanDerWaalsContact C-N 3.32Å; L72-W74 PolarHBondContact O-N 3.01Å; W74-S77 WeakPolarHBondContact CA-OG 3.17Å; W74-S77 PolarHBondContact O-N 3.27Å; W74-S77 PolarHBondContact O-OG 3.03Å; W74-I78 HydrophobicContact CD2-CD1 3.62Å; W74-I78 HydrophobicContact CE3-CD1 3.81Å; W74-I78 HydrophobicContact CG-CD1 4.39Å; W74-I78 HydrophobicContact CH2-CD1 3.5Å; W74-I78 VanDerWaalsContact CH2-CD1 3.5Å; W74-I78 HydrophobicContact CZ2-CD1 3.27Å; W74-I78 HydrophobicContact CZ3-CD1 3.76Å; W74-I78 WeakPolarHBondContact O-CB 3.36Å; W74-I78 VanDerWaalsContact O-CG1 3.31Å; W74-I78 WeakPolarHBondContact O-CG1 3.26Å; W74-I78 PolarHBondContact O-N 3.36Å |
| 75 | C | 82.8 | Confident | 81.3 | Confident | 43 Ų | 43 | 100.6 Ų | 100.6 | 29% | 0.291 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 172 | -76.3 | 0 | 0 | 0 | 0 | 110.8 | L71 L72 I78 F79 | L71-C75 WeakPolarHBondContact O-CB 3.3Å; L71-C75 PolarHBondContact O-N 3.04Å; L71-C75 PolarHBondContact O-SG 2.9Å; L72-C75 PolarHBondContact O-N 3.2Å; C75-I78 CarbonylContact O-C 3.55Å; C75-I78 WeakPolarHBondContact O-CA 3.39Å; C75-I78 WeakPolarHBondContact O-CB 3.44Å; C75-I78 PolarHBondContact O-N 3Å; C75-I78 VanDerWaalsContact O-N 3.13Å; C75-F79 HydrophobicContact CB-CD2 4.39Å; C75-F79 HydrophobicContact CB-CE2 4.43Å; C75-F79 WeakPolarHBondContact O-CD2 3.29Å; C75-F79 PolarHBondContact O-N 2.89Å |
| 76 | E | 81.5 | Confident | 80.8 | Confident | 115 Ų | 115 | 102.7 Ų | 102.7 | 54% | 0.537 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.8 | -49.3 | 177 | -171.4 | -179 | -169.6 | 0 | 0 | 111.1 | L72 L73 I78 F79 S80 | L72-E76 WeakPolarHBondContact O-CB 3.29Å; L72-E76 PolarHBondContact O-N 2.95Å; L73-E76 PolarHBondContact O-N 3.05Å; E76-I78 PolarHBondContact O-N 3.36Å; E76-F79 CarbonylContact O-C 3.55Å; E76-F79 PolarHBondContact O-N 3.08Å; E76-S80 WeakPolarHBondContact O-CA 3.34Å; E76-S80 WeakPolarHBondContact O-CB 3.36Å; E76-S80 PolarHBondContact O-N 3.41Å |
| 77 | S | 77.9 | Confident | 80.3 | Confident | 53 Ų | 53 | 101.1 Ų | 101.1 | 37% | 0.371 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.3 | -32.5 | 174.8 | 65 | 0 | 0 | 0 | 0 | 113.1 | L73 W74 Y82 | L73-S77 WeakPolarHBondContact O-CB 3.31Å; L73-S77 PolarHBondContact O-N 3.21Å; L73-S77 PolarHBondContact O-OG 3.12Å; W74-S77 WeakPolarHBondContact CA-OG 3.17Å; W74-S77 PolarHBondContact O-N 3.27Å; W74-S77 PolarHBondContact O-OG 3.03Å; S77-Y82 WeakPolarHBondContact O-CE2 3.37Å |
| 78 | I | 71.2 | Confident | 79.8 | Confident | 37 Ų | 37 | 97.2 Ų | 97.2 | 19% | 0.19 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -69.2 | -35.4 | 172.3 | -75.4 | 176.9 | 0 | 0 | 0 | 111.3 | W74 C75 E76 R89 | W74-I78 HydrophobicContact CD2-CD1 3.62Å; W74-I78 HydrophobicContact CE3-CD1 3.81Å; W74-I78 HydrophobicContact CG-CD1 4.39Å; W74-I78 HydrophobicContact CH2-CD1 3.5Å; W74-I78 VanDerWaalsContact CH2-CD1 3.5Å; W74-I78 HydrophobicContact CZ2-CD1 3.27Å; W74-I78 HydrophobicContact CZ3-CD1 3.76Å; W74-I78 WeakPolarHBondContact O-CB 3.36Å; W74-I78 VanDerWaalsContact O-CG1 3.31Å; W74-I78 WeakPolarHBondContact O-CG1 3.26Å; W74-I78 PolarHBondContact O-N 3.36Å; C75-I78 CarbonylContact O-C 3.55Å; C75-I78 WeakPolarHBondContact O-CA 3.39Å; C75-I78 WeakPolarHBondContact O-CB 3.44Å; C75-I78 PolarHBondContact O-N 3Å; C75-I78 VanDerWaalsContact O-N 3.13Å; E76-I78 PolarHBondContact O-N 3.36Å; I78-R89 VanDerWaalsContact CG2-NH1 3.33Å; I78-R89 PolarHBondContact O-NH1 2.89Å; I78-R89 PolarHBondContact O-NH2 3.45Å |
| 79 | F | 72.2 | Confident | 79.2 | Confident | 136 Ų | 136 | 94 Ų | 94 | 60% | 0.596 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -94 | -27 | -175.7 | -71.3 | -66.8 | 0 | 0 | 0 | 114.1 | C75 E76 | C75-F79 HydrophobicContact CB-CD2 4.39Å; C75-F79 HydrophobicContact CB-CE2 4.43Å; C75-F79 WeakPolarHBondContact O-CD2 3.29Å; C75-F79 PolarHBondContact O-N 2.89Å; E76-F79 CarbonylContact O-C 3.55Å; E76-F79 PolarHBondContact O-N 3.08Å |
| 80 | S | 66.7 | Low | 78.9 | Confident | 83 Ų | 83 | 93.2 Ų | 93.2 | 58% | 0.58 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -88.6 | -31.2 | -168.4 | -164.1 | 0 | 0 | 0 | 0 | 113.6 | E76 | E76-S80 WeakPolarHBondContact O-CA 3.34Å; E76-S80 WeakPolarHBondContact O-CB 3.36Å; E76-S80 PolarHBondContact O-N 3.41Å |
| 81 | D | 60.9 | Low | 78.6 | Confident | 119 Ų | 119 | 99.7 Ų | 99.7 | 64% | 0.636 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -102 | 14.3 | -169 | -81 | -11.3 | 0 | 0 | 0 | 115.4 | ||
| 82 | Y | 61.2 | Low | 78.3 | Confident | 135 Ų | 135 | 99.7 Ų | 99.7 | 53% | 0.529 | 49% | 0.494 | S | S | . | . | trans | -138.5 | 112.5 | -171.6 | -57.9 | -79.7 | 0 | 0 | 0 | 113 | S77 D84 | S77-Y82 WeakPolarHBondContact O-CE2 3.37Å; Y82-D84 PolarHBondContact O-N 3.23Å; Y82-D84 VanDerWaalsContact O-N 3.12Å | ||
| 83 | E | 68.3 | Low | 78.1 | Confident | 201 Ų | 201 | 101.5 Ų | 101.5 | 94% | 0.939 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -55.6 | -22.7 | 168.4 | -62.5 | -177.4 | 155.1 | 0 | 0 | 112.6 | ||
| 84 | D | 71.3 | Confident | 78.2 | Confident | 81 Ų | 81 | 101.5 Ų | 101.5 | 43% | 0.433 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -80.9 | 126.4 | -177.6 | -79.6 | -32.2 | 0 | 0 | 0 | 113.2 | Y82 V88 R89 | Y82-D84 PolarHBondContact O-N 3.23Å; Y82-D84 VanDerWaalsContact O-N 3.12Å; D84-V88 HydrophobicContact CB-CB 4.42Å; D84-V88 HydrophobicContact CB-CG1 4.41Å; D84-R89 HydrophobicContact CB-CG 4.08Å; D84-R89 PolarHBondContact O-NE 3.14Å |
| 85 | P | 80.3 | Confident | 78.4 | Confident | 81 Ų | 81 | 99.8 Ų | 99.8 | 53% | 0.526 | 50% | 0.495 | S | S | . | . | trans | -52.5 | 144.6 | 172 | -25.5 | 32.9 | 0 | 0 | 0 | 112.3 | V87 V88 R89 | P85-V87 PolarHBondContact O-N 3.29Å; P85-V88 HydrophobicContact CB-CG2 4.38Å; P85-V88 HydrophobicContact CG-CG2 4.42Å; P85-V88 WeakPolarHBondContact O-CB 3.17Å; P85-V88 PolarHBondContact O-N 3.32Å; P85-R89 PolarHBondContact O-N 2.98Å | ||
| 86 | F | 79.5 | Confident | 78.8 | Confident | 116 Ų | 116 | 105.2 Ų | 105.2 | 51% | 0.509 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -49.5 | -35.8 | 179.6 | 176 | -100.4 | 0 | 0 | 0 | 113.5 | V88 R89 L90 | F86-V88 PolarHBondContact O-N 3.2Å; F86-R89 PolarHBondContact O-N 2.97Å; F86-L90 HydrophobicContact CE1-CD2 4.38Å; F86-L90 PolarHBondContact O-N 2.79Å |
| 87 | V | 83.6 | Confident | 79.2 | Confident | 111 Ų | 111 | 101.7 Ų | 101.7 | 67% | 0.673 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.8 | -41 | 177.4 | -178.5 | 0 | 0 | 0 | 0 | 112.2 | P85 R89 R91 | P85-V87 PolarHBondContact O-N 3.29Å; V87-R89 VanDerWaalsContact C-N 3.31Å; V87-R91 VanDerWaalsContact O-CB 3.27Å; V87-R91 WeakPolarHBondContact O-CB 3.16Å; V87-R91 PolarHBondContact O-N 3.29Å |
| 88 | V | 83.7 | Confident | 79.8 | Confident | 50 Ų | 50 | 101 Ų | 101 | 30% | 0.303 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.3 | -39.8 | 176.9 | 178.4 | 0 | 0 | 0 | 0 | 109.9 | D84 P85 F86 R91 N92 | D84-V88 HydrophobicContact CB-CB 4.42Å; D84-V88 HydrophobicContact CB-CG1 4.41Å; P85-V88 HydrophobicContact CB-CG2 4.38Å; P85-V88 HydrophobicContact CG-CG2 4.42Å; P85-V88 WeakPolarHBondContact O-CB 3.17Å; P85-V88 PolarHBondContact O-N 3.32Å; F86-V88 PolarHBondContact O-N 3.2Å; V88-R91 PolarHBondContact O-N 2.86Å; V88-N92 WeakPolarHBondContact O-CB 3.26Å; V88-N92 PolarHBondContact O-N 2.83Å; V88-N92 PolarHBondContact O-ND2 2.82Å |
| 89 | R | 79 | Confident | 80.7 | Confident | 51 Ų | 51 | 104.7 Ų | 104.7 | 19% | 0.192 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -67.5 | -45.6 | 178.6 | -63.7 | -172.7 | -76.2 | 151 | -8 | 112.4 | I78 D84 P85 F86 V87 R91 N92 F93 | I78-R89 VanDerWaalsContact CG2-NH1 3.33Å; I78-R89 PolarHBondContact O-NH1 2.89Å; I78-R89 PolarHBondContact O-NH2 3.45Å; D84-R89 HydrophobicContact CB-CG 4.08Å; D84-R89 PolarHBondContact O-NE 3.14Å; P85-R89 PolarHBondContact O-N 2.98Å; F86-R89 PolarHBondContact O-N 2.97Å; V87-R89 VanDerWaalsContact C-N 3.31Å; R89-R91 VanDerWaalsContact C-N 3.35Å; R89-R91 PolarHBondContact O-N 3.32Å; R89-N92 PolarHBondContact O-N 3.5Å; R89-F93 WeakPolarHBondContact O-CB 3.27Å; R89-F93 PolarHBondContact O-N 3.29Å |
| 90 | L | 85.6 | Confident | 81.5 | Confident | 79 Ų | 79 | 107.8 Ų | 107.8 | 41% | 0.414 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.8 | -44 | 174.4 | -178 | 61.2 | 0 | 0 | 0 | 111 | F86 N92 F93 L94 | F86-L90 HydrophobicContact CE1-CD2 4.38Å; F86-L90 PolarHBondContact O-N 2.79Å; L90-N92 VanDerWaalsContact C-N 3.33Å; L90-N92 PolarHBondContact O-N 3.45Å; L90-F93 PolarHBondContact O-N 3.22Å; L90-L94 HydrophobicContact CD1-CD1 4.21Å; L90-L94 HydrophobicContact CD1-CG 4.12Å; L90-L94 HydrophobicContact CG-CD1 4Å; L90-L94 HydrophobicContact CG-CG 4.34Å; L90-L94 WeakPolarHBondContact O-CB 3.24Å; L90-L94 VanDerWaalsContact O-CG 3.27Å; L90-L94 WeakPolarHBondContact O-CG 3.34Å; L90-L94 PolarHBondContact O-N 3.23Å |
| 91 | R | 87.9 | Confident | 82.8 | Confident | 188 Ų | 188 | 107.1 Ų | 107.1 | 71% | 0.709 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -57.2 | -46.4 | 173.5 | 179.4 | -176.2 | 175 | -165.6 | -1.2 | 111.3 | V87 V88 R89 L94 F95 | V87-R91 VanDerWaalsContact O-CB 3.27Å; V87-R91 WeakPolarHBondContact O-CB 3.16Å; V87-R91 PolarHBondContact O-N 3.29Å; V88-R91 PolarHBondContact O-N 2.86Å; R89-R91 VanDerWaalsContact C-N 3.35Å; R89-R91 PolarHBondContact O-N 3.32Å; R91-L94 PolarHBondContact O-N 3.13Å; R91-F95 WeakPolarHBondContact O-CB 3.44Å; R91-F95 PolarHBondContact O-N 3.25Å |
| 92 | N | 85.6 | Confident | 84.3 | Confident | 64 Ų | 64 | 106.2 Ų | 106.2 | 34% | 0.342 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.1 | -40.1 | 178.7 | -75.2 | -18.6 | 0 | 0 | 0 | 111.9 | V88 R89 L90 R96 | V88-N92 WeakPolarHBondContact O-CB 3.26Å; V88-N92 PolarHBondContact O-N 2.83Å; V88-N92 PolarHBondContact O-ND2 2.82Å; R89-N92 PolarHBondContact O-N 3.5Å; L90-N92 VanDerWaalsContact C-N 3.33Å; L90-N92 PolarHBondContact O-N 3.45Å; N92-R96 VanDerWaalsContact O-CB 3.26Å; N92-R96 WeakPolarHBondContact O-CB 3.37Å; N92-R96 WeakPolarHBondContact O-CG 3.13Å; N92-R96 PolarHBondContact O-N 3.42Å |
| 93 | F | 86.1 | Confident | 85.9 | Confident | 131 Ų | 131 | 108 Ų | 108 | 58% | 0.575 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.3 | -47.7 | 175.9 | 177.8 | -96.5 | 0 | 0 | 0 | 111.9 | R89 L90 F95 R96 S97 | R89-F93 WeakPolarHBondContact O-CB 3.27Å; R89-F93 PolarHBondContact O-N 3.29Å; L90-F93 PolarHBondContact O-N 3.22Å; F93-F95 VanDerWaalsContact C-N 3.35Å; F93-F95 PolarHBondContact O-N 3.34Å; F93-R96 PolarHBondContact O-N 3.15Å; F93-S97 WeakPolarHBondContact O-CB 3.49Å; F93-S97 PolarHBondContact O-N 3.21Å; F93-S97 PolarHBondContact O-OG 3.47Å |
| 94 | L | 91.7 | Very high | 87.1 | Confident | 100 Ų | 100 | 100 Ų | 100 | 52% | 0.524 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 176 | -69.6 | 175.6 | 0 | 0 | 0 | 110.9 | L90 R91 S97 A98 | L90-L94 HydrophobicContact CD1-CD1 4.21Å; L90-L94 HydrophobicContact CD1-CG 4.12Å; L90-L94 HydrophobicContact CG-CD1 4Å; L90-L94 HydrophobicContact CG-CG 4.34Å; L90-L94 WeakPolarHBondContact O-CB 3.24Å; L90-L94 VanDerWaalsContact O-CG 3.27Å; L90-L94 WeakPolarHBondContact O-CG 3.34Å; L90-L94 PolarHBondContact O-N 3.23Å; R91-L94 PolarHBondContact O-N 3.13Å; L94-S97 PolarHBondContact O-N 2.81Å; L94-A98 VanDerWaalsContact O-CB 3.29Å; L94-A98 WeakPolarHBondContact O-CB 2.83Å; L94-A98 PolarHBondContact O-N 3.23Å |
| 95 | F | 90.4 | Very high | 88.1 | Confident | 122 Ų | 122 | 103 Ų | 103 | 54% | 0.535 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 175.7 | -175.1 | -104.5 | 0 | 0 | 0 | 111.9 | R91 F93 S97 A98 R99 | R91-F95 WeakPolarHBondContact O-CB 3.44Å; R91-F95 PolarHBondContact O-N 3.25Å; F93-F95 VanDerWaalsContact C-N 3.35Å; F93-F95 PolarHBondContact O-N 3.34Å; F95-S97 VanDerWaalsContact C-N 3.32Å; F95-S97 PolarHBondContact O-N 2.9Å; F95-A98 PolarHBondContact O-N 3.2Å; F95-R99 HydrophobicContact CD1-CG 4.47Å; F95-R99 HydrophobicContact CE1-CG 4.2Å; F95-R99 HydrophobicContact CZ-CG 4.27Å; F95-R99 VanDerWaalsContact O-CG 3.31Å; F95-R99 WeakPolarHBondContact O-CG 3.27Å; F95-R99 PolarHBondContact O-N 3.48Å |
| 96 | R | 89.3 | Confident | 88.7 | Confident | 157 Ų | 157 | 107.9 Ų | 107.9 | 59% | 0.592 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.4 | -41.8 | 174.3 | -77.3 | 172.3 | -177 | -166.8 | 3 | 111.3 | N92 F93 | N92-R96 VanDerWaalsContact O-CB 3.26Å; N92-R96 WeakPolarHBondContact O-CB 3.37Å; N92-R96 WeakPolarHBondContact O-CG 3.13Å; N92-R96 PolarHBondContact O-N 3.42Å; F93-R96 PolarHBondContact O-N 3.15Å |
| 97 | S | 89.8 | Confident | 89.5 | Confident | 40 Ų | 40 | 109.7 Ų | 109.7 | 28% | 0.28 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.1 | -45.2 | 178.7 | -60.3 | 0 | 0 | 0 | 0 | 111.8 | F93 L94 F95 R99 R100 | F93-S97 WeakPolarHBondContact O-CB 3.49Å; F93-S97 PolarHBondContact O-N 3.21Å; F93-S97 PolarHBondContact O-OG 3.47Å; L94-S97 PolarHBondContact O-N 2.81Å; F95-S97 VanDerWaalsContact C-N 3.32Å; F95-S97 PolarHBondContact O-N 2.9Å; S97-R99 VanDerWaalsContact C-N 3.31Å; S97-R99 PolarHBondContact O-N 3.3Å; S97-R100 WeakPolarHBondContact O-CB 3.38Å; S97-R100 PolarHBondContact O-N 3.47Å |
| 98 | A | 91.3 | Very high | 89.9 | Confident | 39 Ų | 39 | 107 Ų | 107 | 32% | 0.322 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.3 | -38.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L94 F95 R100 L101 V104 | L94-A98 VanDerWaalsContact O-CB 3.29Å; L94-A98 WeakPolarHBondContact O-CB 2.83Å; L94-A98 PolarHBondContact O-N 3.23Å; F95-A98 PolarHBondContact O-N 3.2Å; A98-R100 PolarHBondContact O-N 3.43Å; A98-L101 WeakPolarHBondContact O-CB 3.34Å; A98-L101 PolarHBondContact O-N 2.97Å; A98-L101 VanDerWaalsContact O-N 3.12Å; A98-V104 WeakPolarHBondContact O-CB 3.27Å; A98-V104 VanDerWaalsContact O-CG2 3.3Å; A98-V104 WeakPolarHBondContact O-CG2 3.21Å |
| 99 | R | 90.5 | Very high | 90.5 | Very high | 114 Ų | 114 | 106.9 Ų | 106.9 | 43% | 0.43 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -18.6 | 175.1 | -74.5 | -169 | -56.4 | 166.4 | 6.4 | 114.3 | F95 S97 L101 I108 | F95-R99 HydrophobicContact CD1-CG 4.47Å; F95-R99 HydrophobicContact CE1-CG 4.2Å; F95-R99 HydrophobicContact CZ-CG 4.27Å; F95-R99 VanDerWaalsContact O-CG 3.31Å; F95-R99 WeakPolarHBondContact O-CG 3.27Å; F95-R99 PolarHBondContact O-N 3.48Å; S97-R99 VanDerWaalsContact C-N 3.31Å; S97-R99 PolarHBondContact O-N 3.3Å; R99-L101 VanDerWaalsContact C-N 3.32Å; R99-I108 HydrophobicContact CG-CD1 3.83Å |
| 100 | R | 89.1 | Confident | 91.3 | Very high | 201 Ų | 201 | 107.8 Ų | 107.8 | 76% | 0.758 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -17.9 | 175.6 | -64.6 | 176.1 | -177.7 | 176.9 | -0.5 | 112.7 | S97 A98 | S97-R100 WeakPolarHBondContact O-CB 3.38Å; S97-R100 PolarHBondContact O-N 3.47Å; A98-R100 PolarHBondContact O-N 3.43Å |
| 101 | L | 93.8 | Very high | 91.8 | Very high | 69 Ų | 69 | 110 Ų | 110 | 36% | 0.361 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -69.1 | 132.9 | -179.8 | -63.6 | 164.8 | 0 | 0 | 0 | 110.4 | A98 R99 W103 V104 K105 | A98-L101 WeakPolarHBondContact O-CB 3.34Å; A98-L101 PolarHBondContact O-N 2.97Å; A98-L101 VanDerWaalsContact O-N 3.12Å; R99-L101 VanDerWaalsContact C-N 3.32Å; L101-W103 VanDerWaalsContact C-N 3.29Å; L101-W103 HydrophobicContact CB-CD2 4.14Å; L101-W103 HydrophobicContact CB-CE3 4.25Å; L101-W103 HydrophobicContact CB-CH2 4.18Å; L101-W103 HydrophobicContact CB-CZ2 4.06Å; L101-W103 HydrophobicContact CB-CZ3 4.26Å; L101-W103 HydrophobicContact CD1-CH2 3.72Å; L101-W103 HydrophobicContact CD1-CZ2 3.44Å; L101-W103 VanDerWaalsContact CD1-CZ2 3.44Å; L101-W103 HydrophobicContact CD2-CH2 3.92Å; L101-W103 HydrophobicContact CD2-CZ2 4.45Å; L101-W103 HydrophobicContact CD2-CZ3 4.18Å; L101-W103 HydrophobicContact CG-CH2 4.14Å; L101-W103 HydrophobicContact CG-CZ2 4.17Å; L101-W103 PolarHBondContact O-N 3.26Å; L101-V104 HydrophobicContact CB-CB 4.49Å; L101-V104 HydrophobicContact CB-CG2 4.09Å; L101-V104 PolarHBondContact O-N 3.49Å; L101-K105 PolarHBondContact O-N 3.41Å |
| 102 | P | 93.4 | Very high | 92.1 | Very high | 101 Ų | 101 | 106.3 Ų | 106.3 | 66% | 0.656 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -56.4 | -37.5 | -172.8 | -28 | 34.2 | 0 | 0 | 0 | 114.6 | K105 R106 | P102-K105 PolarHBondContact O-N 2.84Å; P102-R106 WeakPolarHBondContact O-CB 3.45Å; P102-R106 PolarHBondContact O-N 3.39Å |
| 103 | W | 93.7 | Very high | 92.6 | Very high | 172 Ų | 172 | 107.6 Ų | 107.6 | 65% | 0.652 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -69.6 | -36 | 179.3 | 69.3 | 79.9 | 0 | 0 | 0 | 112.6 | L101 K107 | L101-W103 VanDerWaalsContact C-N 3.29Å; L101-W103 HydrophobicContact CB-CD2 4.14Å; L101-W103 HydrophobicContact CB-CE3 4.25Å; L101-W103 HydrophobicContact CB-CH2 4.18Å; L101-W103 HydrophobicContact CB-CZ2 4.06Å; L101-W103 HydrophobicContact CB-CZ3 4.26Å; L101-W103 HydrophobicContact CD1-CH2 3.72Å; L101-W103 HydrophobicContact CD1-CZ2 3.44Å; L101-W103 VanDerWaalsContact CD1-CZ2 3.44Å; L101-W103 HydrophobicContact CD2-CH2 3.92Å; L101-W103 HydrophobicContact CD2-CZ2 4.45Å; L101-W103 HydrophobicContact CD2-CZ3 4.18Å; L101-W103 HydrophobicContact CG-CH2 4.14Å; L101-W103 HydrophobicContact CG-CZ2 4.17Å; L101-W103 PolarHBondContact O-N 3.26Å; W103-K107 PolarHBondContact O-N 2.82Å |
| 104 | V | 93 | Very high | 93.1 | Very high | 33 Ų | 33 | 109.3 Ų | 109.3 | 20% | 0.2 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -69.1 | -47.3 | 176.1 | -177.4 | 0 | 0 | 0 | 0 | 109 | A98 L101 R106 K107 I108 | A98-V104 WeakPolarHBondContact O-CB 3.27Å; A98-V104 VanDerWaalsContact O-CG2 3.3Å; A98-V104 WeakPolarHBondContact O-CG2 3.21Å; L101-V104 HydrophobicContact CB-CB 4.49Å; L101-V104 HydrophobicContact CB-CG2 4.09Å; L101-V104 PolarHBondContact O-N 3.49Å; V104-R106 VanDerWaalsContact C-N 3.28Å; V104-R106 PolarHBondContact O-N 2.84Å; V104-K107 PolarHBondContact O-N 3.34Å; V104-K107 VanDerWaalsContact O-N 3.17Å; V104-I108 HydrophobicContact CG1-CD1 3.74Å; V104-I108 HydrophobicContact CG1-CG1 4.33Å; V104-I108 WeakPolarHBondContact O-CG1 3.42Å; V104-I108 PolarHBondContact O-N 2.93Å |
| 105 | K | 92.1 | Very high | 93.3 | Very high | 144 Ų | 144 | 108.5 Ų | 108.5 | 63% | 0.626 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -56.8 | -41.8 | 175.6 | -170.5 | 177.5 | 179.5 | -178.5 | 0 | 111.8 | L101 P102 I108 S109 | L101-K105 PolarHBondContact O-N 3.41Å; P102-K105 PolarHBondContact O-N 2.84Å; K105-I108 PolarHBondContact O-N 3.43Å; K105-S109 WeakPolarHBondContact O-CB 3.3Å; K105-S109 PolarHBondContact O-N 3.06Å; K105-S109 PolarHBondContact O-OG 2.96Å |
| 106 | R | 94.5 | Very high | 93.5 | Very high | 184 Ų | 184 | 111.3 Ų | 111.3 | 69% | 0.694 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65 | -42.6 | 176 | -174.8 | 176.9 | 179.1 | 178.7 | 0.3 | 112.8 | P102 V104 S109 I110 | P102-R106 WeakPolarHBondContact O-CB 3.45Å; P102-R106 PolarHBondContact O-N 3.39Å; V104-R106 VanDerWaalsContact C-N 3.28Å; V104-R106 PolarHBondContact O-N 2.84Å; R106-S109 WeakPolarHBondContact CA-OG 3.06Å; R106-S109 PolarHBondContact O-N 3.21Å; R106-S109 PolarHBondContact O-OG 2.91Å; R106-I110 HydrophobicContact CG-CD1 4.15Å; R106-I110 WeakPolarHBondContact O-CD1 3.49Å; R106-I110 VanDerWaalsContact O-CG1 3.27Å; R106-I110 WeakPolarHBondContact O-CG1 3.36Å; R106-I110 PolarHBondContact O-N 3.35Å; R106-I110 VanDerWaalsContact O-N 3.09Å |
| 107 | K | 94.8 | Very high | 93.8 | Very high | 153 Ų | 153 | 109.4 Ų | 109.4 | 67% | 0.665 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.5 | -44.4 | 175.8 | -80.7 | -166.5 | 174.9 | -174.3 | 0 | 111.7 | W103 V104 I110 Q111 | W103-K107 PolarHBondContact O-N 2.82Å; V104-K107 PolarHBondContact O-N 3.34Å; V104-K107 VanDerWaalsContact O-N 3.17Å; K107-I110 PolarHBondContact O-N 3.36Å; K107-Q111 PolarHBondContact O-N 2.89Å; K107-Q111 VanDerWaalsContact O-N 3.12Å |
| 108 | I | 93.5 | Very high | 94.1 | Very high | 54 Ų | 54 | 110.5 Ų | 110.5 | 28% | 0.277 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62 | -44.4 | 176.7 | -67.3 | 171.7 | 0 | 0 | 0 | 110.5 | R99 V104 K105 I110 Q111 L112 | R99-I108 HydrophobicContact CG-CD1 3.83Å; V104-I108 HydrophobicContact CG1-CD1 3.74Å; V104-I108 HydrophobicContact CG1-CG1 4.33Å; V104-I108 WeakPolarHBondContact O-CG1 3.42Å; V104-I108 PolarHBondContact O-N 2.93Å; K105-I108 PolarHBondContact O-N 3.43Å; I108-I110 PolarHBondContact O-N 3.36Å; I108-Q111 PolarHBondContact O-N 3.34Å; I108-L112 HydrophobicContact CG2-CD1 3.73Å; I108-L112 HydrophobicContact CG2-CG 4.14Å; I108-L112 WeakPolarHBondContact O-CB 3.41Å; I108-L112 WeakPolarHBondContact O-CG 3.43Å; I108-L112 PolarHBondContact O-N 3.27Å |
| 109 | S | 94.5 | Very high | 94.2 | Very high | 49 Ų | 49 | 112.2 Ų | 112.2 | 34% | 0.343 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.5 | -36.9 | -179.8 | 67.8 | 0 | 0 | 0 | 0 | 112.8 | K105 R106 L112 N113 | K105-S109 WeakPolarHBondContact O-CB 3.3Å; K105-S109 PolarHBondContact O-N 3.06Å; K105-S109 PolarHBondContact O-OG 2.96Å; R106-S109 WeakPolarHBondContact CA-OG 3.06Å; R106-S109 PolarHBondContact O-N 3.21Å; R106-S109 PolarHBondContact O-OG 2.91Å; S109-L112 PolarHBondContact O-N 2.86Å; S109-N113 VanDerWaalsContact O-CB 3.3Å; S109-N113 WeakPolarHBondContact O-CB 3.47Å; S109-N113 PolarHBondContact O-N 3.25Å; S109-N113 PolarHBondContact O-ND2 3.23Å |
| 110 | I | 96.3 | Very high | 94.2 | Very high | 70 Ų | 70 | 111.2 Ų | 111.2 | 36% | 0.359 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 173.5 | -69.2 | 165.6 | 0 | 0 | 0 | 110.7 | R106 K107 I108 N113 R114 | R106-I110 HydrophobicContact CG-CD1 4.15Å; R106-I110 WeakPolarHBondContact O-CD1 3.49Å; R106-I110 VanDerWaalsContact O-CG1 3.27Å; R106-I110 WeakPolarHBondContact O-CG1 3.36Å; R106-I110 PolarHBondContact O-N 3.35Å; R106-I110 VanDerWaalsContact O-N 3.09Å; K107-I110 PolarHBondContact O-N 3.36Å; I108-I110 PolarHBondContact O-N 3.36Å; I110-N113 PolarHBondContact O-N 3.3Å; I110-R114 WeakPolarHBondContact O-CG 3.36Å; I110-R114 PolarHBondContact O-N 3.03Å |
| 111 | Q | 95.6 | Very high | 94.2 | Very high | 125 Ų | 125 | 107 Ų | 107 | 58% | 0.584 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.6 | -46.5 | 177.2 | -73.8 | 177.9 | -28.8 | 0 | 0 | 111.6 | K107 I108 N113 R114 T115 | K107-Q111 PolarHBondContact O-N 2.89Å; K107-Q111 VanDerWaalsContact O-N 3.12Å; I108-Q111 PolarHBondContact O-N 3.34Å; Q111-N113 VanDerWaalsContact C-N 3.34Å; Q111-N113 PolarHBondContact O-N 3.18Å; Q111-R114 PolarHBondContact O-N 3.48Å; Q111-T115 PolarHBondContact O-N 3.43Å; Q111-T115 PolarHBondContact O-OG1 2.89Å; Q111-T115 VanDerWaalsContact O-OG1 3.09Å |
| 112 | L | 95.3 | Very high | 93.9 | Very high | 110 Ų | 110 | 110 Ų | 110 | 58% | 0.576 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.8 | -43.2 | 176 | -76.4 | 173.2 | 0 | 0 | 0 | 112.1 | I108 S109 T115 R116 | I108-L112 HydrophobicContact CG2-CD1 3.73Å; I108-L112 HydrophobicContact CG2-CG 4.14Å; I108-L112 WeakPolarHBondContact O-CB 3.41Å; I108-L112 WeakPolarHBondContact O-CG 3.43Å; I108-L112 PolarHBondContact O-N 3.27Å; S109-L112 PolarHBondContact O-N 2.86Å; L112-T115 PolarHBondContact O-N 2.91Å; L112-R116 WeakPolarHBondContact O-CB 3.46Å; L112-R116 PolarHBondContact O-N 3.29Å |
| 113 | N | 96.6 | Very high | 93.6 | Very high | 91 Ų | 91 | 111.4 Ų | 111.4 | 49% | 0.487 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 178.4 | -75.6 | -14.3 | 0 | 0 | 0 | 111.9 | S109 I110 Q111 R116 Q117 | S109-N113 VanDerWaalsContact O-CB 3.3Å; S109-N113 WeakPolarHBondContact O-CB 3.47Å; S109-N113 PolarHBondContact O-N 3.25Å; S109-N113 PolarHBondContact O-ND2 3.23Å; I110-N113 PolarHBondContact O-N 3.3Å; Q111-N113 VanDerWaalsContact C-N 3.34Å; Q111-N113 PolarHBondContact O-N 3.18Å; N113-R116 PolarHBondContact O-N 2.84Å; N113-Q117 WeakPolarHBondContact O-CB 3.49Å; N113-Q117 VanDerWaalsContact O-CG 3.28Å; N113-Q117 WeakPolarHBondContact O-CG 3.25Å; N113-Q117 PolarHBondContact O-N 3.37Å |
| 114 | R | 96.1 | Very high | 93.2 | Very high | 168 Ų | 168 | 106.6 Ų | 106.6 | 63% | 0.634 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.4 | -47 | 174.4 | -73.7 | 175.3 | -178.4 | 177.6 | -0.3 | 111.7 | I110 Q111 R116 Q117 S118 | I110-R114 WeakPolarHBondContact O-CG 3.36Å; I110-R114 PolarHBondContact O-N 3.03Å; Q111-R114 PolarHBondContact O-N 3.48Å; R114-R116 VanDerWaalsContact C-N 3.32Å; R114-R116 PolarHBondContact O-N 2.98Å; R114-Q117 PolarHBondContact O-N 3.36Å; R114-S118 PolarHBondContact O-N 3.46Å; R114-S118 PolarHBondContact O-OG 3.2Å |
| 115 | T | 96 | Very high | 92.6 | Very high | 82 Ų | 82 | 112.1 Ų | 112.1 | 50% | 0.503 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.8 | -41 | 175.4 | -58 | 0 | 0 | 0 | 0 | 111.3 | Q111 L112 Q117 S118 V119 | Q111-T115 PolarHBondContact O-N 3.43Å; Q111-T115 PolarHBondContact O-OG1 2.89Å; Q111-T115 VanDerWaalsContact O-OG1 3.09Å; L112-T115 PolarHBondContact O-N 2.91Å; T115-Q117 PolarHBondContact O-N 2.88Å; T115-S118 WeakPolarHBondContact CA-OG 3.45Å; T115-S118 PolarHBondContact O-N 3.28Å; T115-S118 PolarHBondContact O-OG 3.22Å; T115-V119 HydrophobicContact CG2-CG2 4.26Å; T115-V119 WeakPolarHBondContact O-CB 3.49Å; T115-V119 WeakPolarHBondContact O-CG2 3.42Å; T115-V119 PolarHBondContact O-N 3.12Å |
| 116 | R | 95.3 | Very high | 92 | Very high | 181 Ų | 181 | 108.2 Ų | 108.2 | 68% | 0.683 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.4 | -45.3 | 176 | -175.6 | 179.5 | -176.8 | 131.3 | 2.6 | 111.2 | L112 N113 R114 Q120 | L112-R116 WeakPolarHBondContact O-CB 3.46Å; L112-R116 PolarHBondContact O-N 3.29Å; N113-R116 PolarHBondContact O-N 2.84Å; R114-R116 VanDerWaalsContact C-N 3.32Å; R114-R116 PolarHBondContact O-N 2.98Å; R116-Q120 WeakPolarHBondContact O-CB 3.31Å; R116-Q120 PolarHBondContact O-N 2.62Å |
| 117 | Q | 95.1 | Very high | 91.5 | Very high | 118 Ų | 118 | 102.2 Ų | 102.2 | 55% | 0.551 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64 | -45 | 176.8 | -75.6 | 173 | -13.5 | 0 | 0 | 111.8 | N113 R114 T115 Q120 I121 | N113-Q117 WeakPolarHBondContact O-CB 3.49Å; N113-Q117 VanDerWaalsContact O-CG 3.28Å; N113-Q117 WeakPolarHBondContact O-CG 3.25Å; N113-Q117 PolarHBondContact O-N 3.37Å; R114-Q117 PolarHBondContact O-N 3.36Å; T115-Q117 PolarHBondContact O-N 2.88Å; Q117-Q120 PolarHBondContact O-N 3.2Å; Q117-I121 VanDerWaalsContact O-CG1 3.27Å; Q117-I121 WeakPolarHBondContact O-CG1 3.44Å; Q117-I121 PolarHBondContact O-N 3.08Å |
| 118 | S | 94.6 | Very high | 90.6 | Very high | 63 Ų | 63 | 97.8 Ų | 97.8 | 44% | 0.441 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.7 | -44.2 | 178 | 65.1 | 0 | 0 | 0 | 0 | 111.6 | R114 T115 Q120 I121 E122 | R114-S118 PolarHBondContact O-N 3.46Å; R114-S118 PolarHBondContact O-OG 3.2Å; T115-S118 WeakPolarHBondContact CA-OG 3.45Å; T115-S118 PolarHBondContact O-N 3.28Å; T115-S118 PolarHBondContact O-OG 3.22Å; S118-Q120 VanDerWaalsContact C-N 3.34Å; S118-Q120 PolarHBondContact O-N 2.88Å; S118-I121 PolarHBondContact O-N 3.45Å; S118-E122 WeakPolarHBondContact O-CG 3.08Å; S118-E122 PolarHBondContact O-N 3.12Å |
| 119 | V | 93.9 | Very high | 89.8 | Confident | 74 Ų | 74 | 98 Ų | 98 | 45% | 0.448 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 175.8 | 169.4 | 0 | 0 | 0 | 0 | 110.8 | T115 E122 L123 | T115-V119 HydrophobicContact CG2-CG2 4.26Å; T115-V119 WeakPolarHBondContact O-CB 3.49Å; T115-V119 WeakPolarHBondContact O-CG2 3.42Å; T115-V119 PolarHBondContact O-N 3.12Å; V119-E122 PolarHBondContact O-N 2.89Å; V119-L123 HydrophobicContact CG1-CD1 3.65Å; V119-L123 HydrophobicContact CG1-CG 4.2Å; V119-L123 WeakPolarHBondContact O-CB 3.49Å; V119-L123 VanDerWaalsContact O-CG 3.24Å; V119-L123 WeakPolarHBondContact O-CG 3.32Å; V119-L123 PolarHBondContact O-N 2.95Å |
| 120 | Q | 90.4 | Very high | 88.6 | Confident | 93 Ų | 93 | 102.4 Ų | 102.4 | 44% | 0.435 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61 | -46.8 | 177.1 | -179.9 | 179.1 | -21.2 | 0 | 0 | 111.6 | R116 Q117 S118 E122 L123 Q124 | R116-Q120 WeakPolarHBondContact O-CB 3.31Å; R116-Q120 PolarHBondContact O-N 2.62Å; Q117-Q120 PolarHBondContact O-N 3.2Å; S118-Q120 VanDerWaalsContact C-N 3.34Å; S118-Q120 PolarHBondContact O-N 2.88Å; Q120-E122 PolarHBondContact O-N 3.3Å; Q120-L123 PolarHBondContact O-N 3.24Å; Q120-Q124 HydrophobicContact CG-CG 4.22Å; Q120-Q124 VanDerWaalsContact O-CB 3.27Å; Q120-Q124 WeakPolarHBondContact O-CB 3.36Å; Q120-Q124 VanDerWaalsContact O-CG 3.23Å; Q120-Q124 WeakPolarHBondContact O-CG 3.41Å; Q120-Q124 PolarHBondContact O-N 3.13Å |
| 121 | I | 89.3 | Confident | 87.9 | Confident | 112 Ų | 112 | 105.7 Ų | 105.7 | 57% | 0.574 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.6 | -45.3 | 178.6 | -69.5 | 164 | 0 | 0 | 0 | 110.8 | Q117 S118 Q124 K125 | Q117-I121 VanDerWaalsContact O-CG1 3.27Å; Q117-I121 WeakPolarHBondContact O-CG1 3.44Å; Q117-I121 PolarHBondContact O-N 3.08Å; S118-I121 PolarHBondContact O-N 3.45Å; I121-Q124 PolarHBondContact O-N 3.28Å; I121-K125 WeakPolarHBondContact O-CB 3.42Å; I121-K125 PolarHBondContact O-N 3.27Å |
| 122 | E | 88 | Confident | 87.5 | Confident | 134 Ų | 134 | 104.8 Ų | 104.8 | 63% | 0.626 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65 | -40.9 | 179.4 | -70.9 | -61.5 | 146.5 | 0 | 0 | 112.3 | S118 V119 Q120 | S118-E122 WeakPolarHBondContact O-CG 3.08Å; S118-E122 PolarHBondContact O-N 3.12Å; V119-E122 PolarHBondContact O-N 2.89Å; Q120-E122 PolarHBondContact O-N 3.3Å |
| 123 | L | 87.1 | Confident | 87.2 | Confident | 130 Ų | 130 | 105 Ų | 105 | 68% | 0.681 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69.9 | -39.1 | 178.5 | -71 | 175.2 | 0 | 0 | 0 | 112.4 | V119 Q120 | V119-L123 HydrophobicContact CG1-CD1 3.65Å; V119-L123 HydrophobicContact CG1-CG 4.2Å; V119-L123 WeakPolarHBondContact O-CB 3.49Å; V119-L123 VanDerWaalsContact O-CG 3.24Å; V119-L123 WeakPolarHBondContact O-CG 3.32Å; V119-L123 PolarHBondContact O-N 2.95Å; Q120-L123 PolarHBondContact O-N 3.24Å |
| 124 | Q | 85 | Confident | 87.1 | Confident | 70 Ų | 70 | 109.8 Ų | 109.8 | 33% | 0.327 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -88.7 | -4 | -175 | -62.9 | -174.8 | -38.7 | 0 | 0 | 113.9 | Q120 I121 N126 D127 | Q120-Q124 HydrophobicContact CG-CG 4.22Å; Q120-Q124 VanDerWaalsContact O-CB 3.27Å; Q120-Q124 WeakPolarHBondContact O-CB 3.36Å; Q120-Q124 VanDerWaalsContact O-CG 3.23Å; Q120-Q124 WeakPolarHBondContact O-CG 3.41Å; Q120-Q124 PolarHBondContact O-N 3.13Å; I121-Q124 PolarHBondContact O-N 3.28Å; Q124-N126 PolarHBondContact O-N 2.86Å; Q124-N126 VanDerWaalsContact O-N 3.09Å; Q124-D127 WeakPolarHBondContact CA-OD2 3.18Å; Q124-D127 WeakPolarHBondContact CB-OD2 3.49Å; Q124-D127 WeakPolarHBondContact CG-OD2 3.48Å; Q124-D127 PolarHBondContact O-N 3.25Å; Q124-D127 VanDerWaalsContact O-N 3.14Å |
| 125 | K | 81.6 | Confident | 87 | Confident | 150 Ų | 150 | 109.5 Ų | 109.5 | 65% | 0.652 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -31.3 | -174.5 | -175.3 | 178.2 | 175.6 | -177.7 | 0 | 113.7 | I121 | I121-K125 WeakPolarHBondContact O-CB 3.42Å; I121-K125 PolarHBondContact O-N 3.27Å |
| 126 | N | 78.9 | Confident | 86.9 | Confident | 61 Ų | 61 | 113.3 Ų | 113.3 | 33% | 0.326 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -115.1 | 15.4 | -176.5 | -60.4 | -23.2 | 0 | 0 | 0 | 112.5 | Q124 F159 | Q124-N126 PolarHBondContact O-N 2.86Å; Q124-N126 VanDerWaalsContact O-N 3.09Å; N126-F159 WeakPolarHBondContact ND2-CZ 3.48Å |
| 127 | D | 82.6 | Confident | 86.8 | Confident | 58 Ų | 58 | 107.2 Ų | 107.2 | 31% | 0.31 | 54% | 0.536 | S | S | . | . | trans | -65.2 | 127.6 | 175.1 | -72.7 | -16.2 | 0 | 0 | 0 | 108.7 | Q124 D129 F132 | Q124-D127 WeakPolarHBondContact CA-OD2 3.18Å; Q124-D127 WeakPolarHBondContact CB-OD2 3.49Å; Q124-D127 WeakPolarHBondContact CG-OD2 3.48Å; Q124-D127 PolarHBondContact O-N 3.25Å; Q124-D127 VanDerWaalsContact O-N 3.14Å; D127-D129 VanDerWaalsContact C-N 3.29Å; D127-D129 PolarHBondContact O-N 3.46Å; D127-F132 WeakPolarHBondContact OD2-CZ 3.44Å | ||
| 128 | P | 76.9 | Confident | 86.8 | Confident | 60 Ų | 60 | 109.7 Ų | 109.7 | 39% | 0.39 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -67.6 | -33.7 | -176.4 | 23.3 | -28.5 | 0 | 0 | 0 | 111.9 | Y153 A156 | P128-Y153 HydrophobicContact CG-CD1 3.84Å; P128-Y153 HydrophobicContact CG-CE1 4.31Å; P128-A156 HydrophobicContact CB-CB 3.67Å; P128-A156 HydrophobicContact CG-CB 3.59Å |
| 129 | D | 75.8 | Confident | 86.8 | Confident | 59 Ų | 59 | 113.7 Ų | 113.7 | 32% | 0.316 | 57% | 0.568 | S | S | . | * | trans | -135.1 | 139.9 | -175.8 | -55.2 | -51.1 | 0 | 0 | 0 | 109.6 | D127 D131 R152 | D127-D129 VanDerWaalsContact C-N 3.29Å; D127-D129 PolarHBondContact O-N 3.46Å; D129-D131 PolarHBondContact O-N 3.07Å; D129-R152 IonicContact OD2-CZ 3.2Å; D129-R152 IonicContact OD2-NE 2.78Å; D129-R152 PolarHBondContact OD2-NE 3.39Å; D129-R152 IonicContact OD2-NH2 2.82Å; D129-R152 PolarHBondContact OD2-NH2 3.29Å | ||
| 130 | M | 70.7 | Confident | 86.9 | Confident | 142 Ų | 142 | 113.9 Ų | 113.9 | 70% | 0.7 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -75.5 | -14.1 | 169.4 | -65.3 | -66.6 | -68.5 | 0 | 0 | 112.1 | F132 | M130-F132 WeakPolarHBondContact O-CD2 3.16Å; M130-F132 PolarHBondContact O-N 3.19Å |
| 131 | D | 81.9 | Confident | 87 | Confident | 138 Ų | 138 | 113.2 Ų | 113.2 | 74% | 0.738 | 58% | 0.583 | S | S | * | * | trans | -93 | 91.6 | -176.5 | -71.2 | -26.4 | 0 | 0 | 0 | 111.1 | D129 | D129-D131 PolarHBondContact O-N 3.07Š| ||
| 132 | F | 87 | Confident | 87.4 | Confident | 106 Ų | 106 | 111 Ų | 111 | 47% | 0.465 | 58% | 0.575 | S | S | . | * | trans | -76.2 | 139.8 | 173.9 | -66.9 | -93.2 | 0 | 0 | 0 | 111.5 | D127 M130 R134 | D127-F132 WeakPolarHBondContact OD2-CZ 3.44Å; M130-F132 WeakPolarHBondContact O-CD2 3.16Å; M130-F132 PolarHBondContact O-N 3.19Å; F132-R134 WeakPolarHBondContact O-CG 3.45Å; F132-R134 PolarHBondContact O-N 3.43Å; F132-R134 VanDerWaalsContact O-N 3.09Å | ||
| 133 | L | 89.6 | Confident | 87.8 | Confident | 114 Ų | 114 | 111.5 Ų | 111.5 | 60% | 0.597 | 58% | 0.579 | S | S | * | * | trans | -64.5 | 107.6 | 165.4 | -68.7 | 172.3 | 0 | 0 | 0 | 109.4 | M141 | L133-M141 HydrophobicContact CD1-CE 4.46Š| ||
| 134 | R | 92.6 | Very high | 88.3 | Confident | 193 Ų | 193 | 111.5 Ų | 111.5 | 73% | 0.728 | 58% | 0.576 | S | S | * | * | trans | -100.2 | -18.5 | -178.6 | -65.9 | 173.9 | -166.6 | 173.6 | 6 | 113.6 | F132 | F132-R134 WeakPolarHBondContact O-CG 3.45Å; F132-R134 PolarHBondContact O-N 3.43Å; F132-R134 VanDerWaalsContact O-N 3.09Å | ||
| 135 | H | 94.1 | Very high | 88.8 | Confident | 161 Ų | 161 | 113 Ų | 113 | 75% | 0.745 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -133.5 | 152.1 | -177.9 | -56.3 | -57.9 | 0 | 0 | 0 | 109.2 | ||
| 136 | L | 94.5 | Very high | 89.4 | Confident | 162 Ų | 162 | 110.3 Ų | 110.3 | 85% | 0.848 | 57% | 0.574 | S | S | * | * | trans | -64.7 | 133.5 | 171.5 | -169.8 | 69.8 | 0 | 0 | 0 | 108.4 | ||||
| 137 | P | 93.3 | Very high | 90.2 | Very high | 54 Ų | 54 | 113.8 Ų | 113.8 | 35% | 0.351 | 59% | 0.589 | S | S | . | * | trans | -58.8 | 143.7 | 175.2 | -22.5 | 33.1 | 0 | 0 | 0 | 111.6 | L139 M141 | P137-L139 WeakPolarHBondContact CB-O 3.47Å; P137-L139 PolarHBondContact O-N 3.47Å; P137-M141 HydrophobicContact CB-CE 4.5Å; P137-M141 HydrophobicContact CG-CE 3.61Å; P137-M141 HydrophobicContact CG-SD 4.39Å | ||
| 138 | D | 94.6 | Very high | 90.8 | Very high | 169 Ų | 169 | 114.6 Ų | 114.6 | 90% | 0.904 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -64.2 | -27.2 | 179 | -63 | -42.6 | 0 | 0 | 0 | 112.6 | ||
| 139 | L | 95.2 | Very high | 91.5 | Very high | 147 Ų | 147 | 113.1 Ų | 113.1 | 77% | 0.77 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -120.7 | 139.6 | 176.3 | -63.6 | 173 | 0 | 0 | 0 | 109.5 | P137 M141 | P137-L139 WeakPolarHBondContact CB-O 3.47Å; P137-L139 PolarHBondContact O-N 3.47Å; L139-M141 PolarHBondContact O-N 2.99Å |
| 140 | G | 94.9 | Very high | 92.3 | Very high | 79 Ų | 79 | 112.9 Ų | 112.9 | 81% | 0.814 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 132 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 141 | M | 94.4 | Very high | 93.3 | Very high | 78 Ų | 78 | 108.8 Ų | 108.8 | 38% | 0.384 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -69.4 | 148.3 | 173.6 | -68.8 | 169.5 | 172.6 | 0 | 0 | 110.8 | L133 P137 L139 E145 I146 | L133-M141 HydrophobicContact CD1-CE 4.46Å; P137-M141 HydrophobicContact CB-CE 4.5Å; P137-M141 HydrophobicContact CG-CE 3.61Å; P137-M141 HydrophobicContact CG-SD 4.39Å; L139-M141 PolarHBondContact O-N 2.99Å; M141-E145 VanDerWaalsContact CA-OE2 3.24Å; M141-E145 WeakPolarHBondContact CA-OE2 3Å; M141-E145 HydrophobicContact CB-CB 4.16Å; M141-I146 HydrophobicContact CB-CD1 4.23Å; M141-I146 HydrophobicContact CB-CG1 3.79Å |
| 142 | T | 96.9 | Very high | 93.6 | Very high | 66 Ų | 66 | 107 Ų | 107 | 41% | 0.405 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -71.4 | 163 | 172.3 | 85.2 | 0 | 0 | 0 | 0 | 111.2 | E144 E145 I146 | T142-E144 VanDerWaalsContact CB-OE2 3.29Å; T142-E144 WeakPolarHBondContact CB-OE2 3.46Å; T142-E144 PolarHBondContact O-N 3.36Å; T142-E144 PolarHBondContact OG1-N 3.36Å; T142-E144 PolarHBondContact OG1-OE2 2.74Å; T142-E145 PolarHBondContact N-OE2 2.67Å; T142-E145 PolarHBondContact O-N 3.33Å; T142-E145 PolarHBondContact OG1-N 3.35Å; T142-I146 WeakPolarHBondContact O-CG1 3.45Å; T142-I146 PolarHBondContact O-N 3.1Å |
| 143 | M | 96.5 | Very high | 93.7 | Very high | 145 Ų | 145 | 106.8 Ų | 106.8 | 71% | 0.714 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -59.5 | -37.4 | 177.2 | -70.6 | -173.1 | 177.9 | 0 | 0 | 111.5 | I146 Q147 | M143-I146 PolarHBondContact O-N 3Å; M143-Q147 WeakPolarHBondContact O-CB 3.33Å; M143-Q147 VanDerWaalsContact O-CG 3.25Å; M143-Q147 WeakPolarHBondContact O-CG 3.39Å; M143-Q147 PolarHBondContact O-N 2.96Å |
| 144 | E | 97.2 | Very high | 93.6 | Very high | 130 Ų | 130 | 109 Ų | 109 | 61% | 0.607 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -66.7 | -41.3 | 178.3 | -58.5 | 73.3 | -159.2 | 0 | 0 | 111.6 | T142 Q147 S148 | T142-E144 VanDerWaalsContact CB-OE2 3.29Å; T142-E144 WeakPolarHBondContact CB-OE2 3.46Å; T142-E144 PolarHBondContact O-N 3.36Å; T142-E144 PolarHBondContact OG1-N 3.36Å; T142-E144 PolarHBondContact OG1-OE2 2.74Å; E144-Q147 PolarHBondContact O-N 3.33Å; E144-S148 WeakPolarHBondContact O-CB 3.13Å; E144-S148 PolarHBondContact O-N 3.37Å |
| 145 | E | 95.3 | Very high | 93.3 | Very high | 100 Ų | 100 | 105.2 Ų | 105.2 | 47% | 0.467 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.8 | -42.3 | 175.7 | -70.1 | 176.2 | 148.8 | 0 | 0 | 111.6 | M141 T142 T149 | M141-E145 VanDerWaalsContact CA-OE2 3.24Å; M141-E145 WeakPolarHBondContact CA-OE2 3Å; M141-E145 HydrophobicContact CB-CB 4.16Å; T142-E145 PolarHBondContact N-OE2 2.67Å; T142-E145 PolarHBondContact O-N 3.33Å; T142-E145 PolarHBondContact OG1-N 3.35Å; E145-T149 WeakPolarHBondContact O-CB 3.35Å; E145-T149 PolarHBondContact O-N 3.48Å; E145-T149 PolarHBondContact O-OG1 3.21Å |
| 146 | I | 95.3 | Very high | 92.9 | Very high | 94 Ų | 94 | 98.7 Ų | 98.7 | 48% | 0.482 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.3 | -47.7 | 176.6 | -66.4 | 166 | 0 | 0 | 0 | 110.3 | M141 T142 M143 T149 A150 | M141-I146 HydrophobicContact CB-CD1 4.23Å; M141-I146 HydrophobicContact CB-CG1 3.79Å; T142-I146 WeakPolarHBondContact O-CG1 3.45Å; T142-I146 PolarHBondContact O-N 3.1Å; M143-I146 PolarHBondContact O-N 3Å; I146-T149 PolarHBondContact O-N 2.95Å; I146-A150 WeakPolarHBondContact O-CB 3.27Å; I146-A150 PolarHBondContact O-N 2.86Å |
| 147 | Q | 96 | Very high | 92.1 | Very high | 134 Ų | 134 | 93.3 Ų | 93.3 | 63% | 0.626 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.1 | -41.6 | 178.8 | -75.2 | 177.1 | -4.9 | 0 | 0 | 112.2 | M143 E144 A150 S151 | M143-Q147 WeakPolarHBondContact O-CB 3.33Å; M143-Q147 VanDerWaalsContact O-CG 3.25Å; M143-Q147 WeakPolarHBondContact O-CG 3.39Å; M143-Q147 PolarHBondContact O-N 2.96Å; E144-Q147 PolarHBondContact O-N 3.33Å; Q147-A150 PolarHBondContact O-N 3.22Å; Q147-S151 WeakPolarHBondContact O-CB 3.49Å; Q147-S151 PolarHBondContact O-N 3Å |
| 148 | S | 94.1 | Very high | 90.8 | Very high | 76 Ų | 76 | 94.9 Ų | 94.9 | 53% | 0.531 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.4 | -45.6 | 175.1 | 175.4 | 0 | 0 | 0 | 0 | 111.5 | E144 S151 R152 | E144-S148 WeakPolarHBondContact O-CB 3.13Å; E144-S148 PolarHBondContact O-N 3.37Å; S148-S151 PolarHBondContact O-N 3.27Å; S148-R152 PolarHBondContact O-N 3.31Å |
| 149 | T | 91.7 | Very high | 89.8 | Confident | 28 Ų | 28 | 92.9 Ų | 92.9 | 17% | 0.172 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -63.4 | -44.5 | 176.3 | -58 | 0 | 0 | 0 | 0 | 111.5 | E145 I146 S151 R152 Y153 | E145-T149 WeakPolarHBondContact O-CB 3.35Å; E145-T149 PolarHBondContact O-N 3.48Å; E145-T149 PolarHBondContact O-OG1 3.21Å; I146-T149 PolarHBondContact O-N 2.95Å; T149-S151 PolarHBondContact O-N 2.87Å; T149-R152 PolarHBondContact O-N 2.8Å; T149-Y153 HydrophobicContact CG2-CD2 4.26Å; T149-Y153 HydrophobicContact CG2-CE1 4.2Å; T149-Y153 HydrophobicContact CG2-CE2 3.59Å; T149-Y153 PolarHBondContact O-N 3.27Å; T149-Y153 VanDerWaalsContact O-N 3.09Å |
| 150 | A | 91.9 | Very high | 88.8 | Confident | 54 Ų | 54 | 88.9 Ų | 88.9 | 45% | 0.446 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.9 | -39.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I146 Q147 Y153 K154 | I146-A150 WeakPolarHBondContact O-CB 3.27Å; I146-A150 PolarHBondContact O-N 2.86Å; Q147-A150 PolarHBondContact O-N 3.22Å; A150-Y153 PolarHBondContact O-N 2.82Å; A150-K154 WeakPolarHBondContact O-CB 3.12Å; A150-K154 PolarHBondContact O-N 3.41Å |
| 151 | S | 91.7 | Very high | 88 | Confident | 56 Ų | 56 | 90.2 Ų | 90.2 | 39% | 0.392 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.3 | -45.5 | 174.8 | -164 | 0 | 0 | 0 | 0 | 111.1 | Q147 S148 T149 Y153 K154 D155 | Q147-S151 WeakPolarHBondContact O-CB 3.49Å; Q147-S151 PolarHBondContact O-N 3Å; S148-S151 PolarHBondContact O-N 3.27Å; T149-S151 PolarHBondContact O-N 2.87Å; S151-Y153 VanDerWaalsContact C-N 3.29Å; S151-Y153 PolarHBondContact O-N 3.46Å; S151-K154 WeakPolarHBondContact O-CB 3.29Å; S151-K154 PolarHBondContact O-N 2.83Å; S151-K154 VanDerWaalsContact O-N 3.15Å; S151-D155 WeakPolarHBondContact O-CB 3.36Å; S151-D155 PolarHBondContact O-N 2.79Å; S151-D155 PolarHBondContact OG-OD2 2.84Å |
| 152 | R | 88.8 | Confident | 87.2 | Confident | 101 Ų | 101 | 90.2 Ų | 90.2 | 38% | 0.381 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -56.6 | -43.5 | 176.5 | -171.5 | 174 | 77.8 | -118.9 | 6 | 111.9 | D129 S148 T149 D155 A156 | D129-R152 IonicContact OD2-CZ 3.2Å; D129-R152 IonicContact OD2-NE 2.78Å; D129-R152 PolarHBondContact OD2-NE 3.39Å; D129-R152 IonicContact OD2-NH2 2.82Å; D129-R152 PolarHBondContact OD2-NH2 3.29Å; S148-R152 PolarHBondContact O-N 3.31Å; T149-R152 PolarHBondContact O-N 2.8Å; R152-D155 PolarHBondContact O-N 3.22Å; R152-A156 PolarHBondContact O-N 2.7Å |
| 153 | Y | 89.6 | Confident | 86.3 | Confident | 101 Ų | 101 | 92.2 Ų | 92.2 | 40% | 0.396 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.5 | -37.7 | 177.7 | -62.8 | -17.7 | 0 | 0 | 0 | 113 | P128 T149 A150 S151 D155 A156 | P128-Y153 HydrophobicContact CG-CD1 3.84Å; P128-Y153 HydrophobicContact CG-CE1 4.31Å; T149-Y153 HydrophobicContact CG2-CD2 4.26Å; T149-Y153 HydrophobicContact CG2-CE1 4.2Å; T149-Y153 HydrophobicContact CG2-CE2 3.59Å; T149-Y153 PolarHBondContact O-N 3.27Å; T149-Y153 VanDerWaalsContact O-N 3.09Å; A150-Y153 PolarHBondContact O-N 2.82Å; S151-Y153 VanDerWaalsContact C-N 3.29Å; S151-Y153 PolarHBondContact O-N 3.46Å; Y153-D155 VanDerWaalsContact C-N 3.34Å; Y153-A156 WeakPolarHBondContact O-CB 3.1Å; Y153-A156 PolarHBondContact O-N 3.45Å |
| 154 | K | 87.9 | Confident | 85.4 | Confident | 162 Ų | 162 | 88.2 Ų | 88.2 | 70% | 0.704 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.6 | -45.4 | 173.3 | 178.5 | -170.1 | 168.3 | -167.8 | 0 | 111 | A150 S151 A156 G157 | A150-K154 WeakPolarHBondContact O-CB 3.12Å; A150-K154 PolarHBondContact O-N 3.41Å; S151-K154 WeakPolarHBondContact O-CB 3.29Å; S151-K154 PolarHBondContact O-N 2.83Å; S151-K154 VanDerWaalsContact O-N 3.15Å; K154-A156 VanDerWaalsContact C-N 3.27Å; K154-A156 PolarHBondContact O-N 3.47Å; K154-G157 PolarHBondContact O-N 3.41Å; K154-G157 VanDerWaalsContact O-N 3.14Å |
| 155 | D | 85.7 | Confident | 84.5 | Confident | 113 Ų | 113 | 91.7 Ų | 91.7 | 60% | 0.604 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -72.1 | -20.1 | -176.3 | -62.8 | -27 | 0 | 0 | 0 | 112.9 | S151 R152 Y153 G157 | S151-D155 WeakPolarHBondContact O-CB 3.36Å; S151-D155 PolarHBondContact O-N 2.79Å; S151-D155 PolarHBondContact OG-OD2 2.84Å; R152-D155 PolarHBondContact O-N 3.22Å; Y153-D155 VanDerWaalsContact C-N 3.34Å; D155-G157 PolarHBondContact O-N 2.84Å |
| 156 | A | 84.7 | Confident | 83.8 | Confident | 24 Ų | 24 | 89.6 Ų | 89.6 | 20% | 0.198 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -65.2 | -24.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | P128 R152 Y153 K154 S158 | P128-A156 HydrophobicContact CB-CB 3.67Å; P128-A156 HydrophobicContact CG-CB 3.59Å; R152-A156 PolarHBondContact O-N 2.7Å; Y153-A156 WeakPolarHBondContact O-CB 3.1Å; Y153-A156 PolarHBondContact O-N 3.45Å; K154-A156 VanDerWaalsContact C-N 3.27Å; K154-A156 PolarHBondContact O-N 3.47Å; A156-S158 PolarHBondContact O-N 3.26Å |
| 157 | G | 79 | Confident | 83.3 | Confident | 48 Ų | 48 | 91.2 Ų | 91.2 | 50% | 0.495 | 51% | 0.51 | S | S | . | . | trans | -68.4 | 92.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | K154 D155 F159 | K154-G157 PolarHBondContact O-N 3.41Å; K154-G157 VanDerWaalsContact O-N 3.14Å; D155-G157 PolarHBondContact O-N 2.84Å; G157-F159 PolarHBondContact O-N 2.87Å | ||
| 158 | S | 66.1 | Low | 82.8 | Confident | 87 Ų | 87 | 86.5 Ų | 86.5 | 61% | 0.608 | 50% | 0.498 | S | S | * | . | trans | -74.8 | 9 | -177.9 | 72.2 | 0 | 0 | 0 | 0 | 114.9 | A156 | A156-S158 PolarHBondContact O-N 3.26Š| ||
| 159 | F | 72.7 | Confident | 82.4 | Confident | 127 Ų | 127 | 86.6 Ų | 86.6 | 56% | 0.557 | 50% | 0.503 | S | S | * | . | trans | -96.8 | 116.7 | -167.2 | -60.9 | -76.7 | 0 | 0 | 0 | 112.2 | N126 G157 F161 I166 | N126-F159 WeakPolarHBondContact ND2-CZ 3.48Å; G157-F159 PolarHBondContact O-N 2.87Å; F159-F161 PolarHBondContact O-N 3.47Å; F159-I166 HydrophobicContact CB-CD1 3.52Å; F159-I166 HydrophobicContact CB-CG1 4.38Å; F159-I166 HydrophobicContact CD1-CD1 4.49Å; F159-I166 HydrophobicContact CG-CD1 4.23Å | ||
| 160 | D | 73.5 | Confident | 82.2 | Confident | 63 Ų | 63 | 88.5 Ų | 88.5 | 34% | 0.337 | 52% | 0.515 | S | S | . | . | trans | -81.3 | 80.8 | 174.2 | -174.9 | -4.3 | 0 | 0 | 0 | 110.6 | A162 N163 | D160-A162 VanDerWaalsContact C-N 3.25Å; D160-A162 PolarHBondContact OD1-N 3.41Å; D160-N163 PolarHBondContact OD1-N 3.23Å; D160-N163 PolarHBondContact OD1-ND2 3.32Å; D160-N163 WeakPolarHBondContact OD2-CB 3.5Å; D160-N163 PolarHBondContact OD2-ND2 3.41Å | ||
| 161 | F | 79.7 | Confident | 82 | Confident | 108 Ų | 108 | 96.3 Ų | 96.3 | 47% | 0.474 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -23.3 | 174.9 | 59.6 | -97 | 0 | 0 | 0 | 112.1 | F159 N163 G164 I166 V170 A173 | F159-F161 PolarHBondContact O-N 3.47Å; F161-N163 VanDerWaalsContact C-N 3.31Å; F161-N163 PolarHBondContact O-N 2.88Å; F161-G164 PolarHBondContact O-N 2.88Å; F161-G164 VanDerWaalsContact O-N 3.11Å; F161-I166 HydrophobicContact CB-CD1 3.76Å; F161-V170 HydrophobicContact CB-CB 4.32Å; F161-V170 HydrophobicContact CB-CG2 4.15Å; F161-V170 HydrophobicContact CD2-CG1 4.14Å; F161-V170 HydrophobicContact CD2-CG2 4.43Å; F161-V170 HydrophobicContact CG-CG2 4.16Å; F161-A173 HydrophobicContact CD2-CB 3.72Å; F161-A173 HydrophobicContact CE2-CB 4.02Å |
| 162 | A | 76.1 | Confident | 81.8 | Confident | 77 Ų | 77 | 98.5 Ų | 98.5 | 64% | 0.636 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -36.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | D160 G164 | D160-A162 VanDerWaalsContact C-N 3.25Å; D160-A162 PolarHBondContact OD1-N 3.41Å; A162-G164 VanDerWaalsContact C-N 3.29Å; A162-G164 PolarHBondContact O-N 2.95Å |
| 163 | N | 79.4 | Confident | 81.6 | Confident | 109 Ų | 109 | 95.9 Ų | 95.9 | 58% | 0.583 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | 12.5 | 175 | -74.3 | -46.6 | 0 | 0 | 0 | 114.4 | D160 F161 R165 | D160-N163 PolarHBondContact OD1-N 3.23Å; D160-N163 PolarHBondContact OD1-ND2 3.32Å; D160-N163 WeakPolarHBondContact OD2-CB 3.5Å; D160-N163 PolarHBondContact OD2-ND2 3.41Å; F161-N163 VanDerWaalsContact C-N 3.31Å; F161-N163 PolarHBondContact O-N 2.88Å; N163-R165 VanDerWaalsContact C-N 3.26Å; N163-R165 HydrophobicContact CB-CG 4.42Å; N163-R165 PolarHBondContact O-N 3.42Å |
| 164 | G | 77.1 | Confident | 81.6 | Confident | 61 Ų | 61 | 93.2 Ų | 93.2 | 63% | 0.629 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 21.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | F161 A162 I166 | F161-G164 PolarHBondContact O-N 2.88Å; F161-G164 VanDerWaalsContact O-N 3.11Å; A162-G164 VanDerWaalsContact C-N 3.29Å; A162-G164 PolarHBondContact O-N 2.95Å; G164-I166 PolarHBondContact O-N 3.39Å |
| 165 | R | 78 | Confident | 81.8 | Confident | 202 Ų | 202 | 91.5 Ų | 91.5 | 76% | 0.762 | 54% | 0.536 | S | S | * | . | trans | -81.5 | 4.5 | -176.1 | -64 | -176 | 179.1 | 172.5 | 2 | 114.1 | N163 | N163-R165 VanDerWaalsContact C-N 3.26Å; N163-R165 HydrophobicContact CB-CG 4.42Å; N163-R165 PolarHBondContact O-N 3.42Å | ||
| 166 | I | 81.8 | Confident | 82.2 | Confident | 57 Ų | 57 | 93.7 Ų | 93.7 | 29% | 0.292 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -118.6 | 126 | -178.1 | -49.3 | 173.6 | 0 | 0 | 0 | 108 | F159 F161 G164 G168 A169 | F159-I166 HydrophobicContact CB-CD1 3.52Å; F159-I166 HydrophobicContact CB-CG1 4.38Å; F159-I166 HydrophobicContact CD1-CD1 4.49Å; F159-I166 HydrophobicContact CG-CD1 4.23Å; F161-I166 HydrophobicContact CB-CD1 3.76Å; G164-I166 PolarHBondContact O-N 3.39Å; I166-G168 PolarHBondContact O-N 2.87Å; I166-A169 HydrophobicContact CG2-CB 3.74Å |
| 167 | S | 83.8 | Confident | 82.7 | Confident | 127 Ų | 127 | 95.6 Ų | 95.6 | 89% | 0.888 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -75.1 | 120.3 | 172.6 | -171.4 | 0 | 0 | 0 | 0 | 109.5 | ||
| 168 | G | 84.7 | Confident | 83.3 | Confident | 36 Ų | 36 | 96 Ų | 96 | 37% | 0.371 | 55% | 0.548 | S | S | . | . | S | Bend | trans | 65.8 | -136.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I166 V170 | I166-G168 PolarHBondContact O-N 2.87Å; G168-V170 PolarHBondContact O-N 3.32Å |
| 169 | A | 86.2 | Confident | 84.8 | Confident | 78 Ų | 78 | 98.7 Ų | 98.7 | 65% | 0.645 | 55% | 0.549 | S | S | * | . | S | Bend | trans | 61 | -58.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | I166 | I166-A169 HydrophobicContact CG2-CB 3.74Š|
| 170 | V | 87.4 | Confident | 85.9 | Confident | 67 Ų | 67 | 96.8 Ų | 96.8 | 41% | 0.406 | 54% | 0.544 | S | S | . | . | trans | -120.9 | 110.1 | 177.5 | -178.3 | 0 | 0 | 0 | 0 | 108.8 | F161 G168 A173 | F161-V170 HydrophobicContact CB-CB 4.32Å; F161-V170 HydrophobicContact CB-CG2 4.15Å; F161-V170 HydrophobicContact CD2-CG1 4.14Å; F161-V170 HydrophobicContact CD2-CG2 4.43Å; F161-V170 HydrophobicContact CG-CG2 4.16Å; G168-V170 PolarHBondContact O-N 3.32Å; V170-A173 HydrophobicContact CG1-CB 4.18Å | ||
| 171 | Y | 88.5 | Confident | 87 | Confident | 219 Ų | 219 | 97.9 Ų | 97.9 | 86% | 0.859 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -81.9 | -26 | -175.7 | -64.1 | -88.6 | 0 | 0 | 0 | 113.5 | ||
| 172 | N | 86.9 | Confident | 87.8 | Confident | 101 Ų | 101 | 95.7 Ų | 95.7 | 54% | 0.54 | 55% | 0.551 | S | S | . | * | trans | -146 | 116.3 | 176.5 | -170.8 | -27.1 | 0 | 0 | 0 | 108.9 | S174 L177 | N172-S174 WeakPolarHBondContact OD1-CB 3.29Å; N172-S174 PolarHBondContact OD1-N 2.89Å; N172-L177 HydrophobicContact CB-CD2 4.05Å | ||
| 173 | A | 85.6 | Confident | 88.8 | Confident | 46 Ų | 46 | 97 Ų | 97 | 38% | 0.38 | 55% | 0.545 | S | S | . | . | trans | -101.3 | 23.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | F161 V170 D175 | F161-A173 HydrophobicContact CD2-CB 3.72Å; F161-A173 HydrophobicContact CE2-CB 4.02Å; V170-A173 HydrophobicContact CG1-CB 4.18Å; A173-D175 PolarHBondContact O-N 2.91Å | ||
| 174 | S | 89 | Confident | 89.6 | Confident | 46 Ų | 46 | 95.2 Ų | 95.2 | 32% | 0.322 | 53% | 0.534 | S | S | . | . | trans | -69.6 | 123.3 | 178.8 | 173.4 | 0 | 0 | 0 | 0 | 111.9 | N172 E176 L177 A178 | N172-S174 WeakPolarHBondContact OD1-CB 3.29Å; N172-S174 PolarHBondContact OD1-N 2.89Å; S174-E176 PolarHBondContact O-N 2.89Å; S174-E176 PolarHBondContact OG-N 3.49Å; S174-L177 PolarHBondContact O-N 3.08Å; S174-L177 PolarHBondContact OG-N 2.87Å; S174-A178 PolarHBondContact O-N 3.28Å | ||
| 175 | D | 90.9 | Very high | 90.5 | Very high | 126 Ų | 126 | 96.9 Ų | 96.9 | 67% | 0.674 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.8 | -33.3 | 173.4 | -73.6 | -21.6 | 0 | 0 | 0 | 112.6 | A173 A178 K179 | A173-D175 PolarHBondContact O-N 2.91Å; D175-A178 PolarHBondContact O-N 3.42Å; D175-K179 VanDerWaalsContact O-CG 3.28Å; D175-K179 WeakPolarHBondContact O-CG 3.37Å; D175-K179 PolarHBondContact O-N 3.18Å |
| 176 | E | 95.3 | Very high | 91.4 | Very high | 158 Ų | 158 | 94.3 Ų | 94.3 | 74% | 0.738 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.6 | -45.5 | 176.1 | -175.3 | -177.7 | -178.7 | 0 | 0 | 110.8 | S174 A178 K179 L180 | S174-E176 PolarHBondContact O-N 2.89Å; S174-E176 PolarHBondContact OG-N 3.49Å; E176-A178 VanDerWaalsContact C-N 3.34Å; E176-A178 PolarHBondContact O-N 3Å; E176-K179 PolarHBondContact O-N 3.16Å; E176-L180 PolarHBondContact O-N 3.25Å |
| 177 | L | 94.1 | Very high | 92.2 | Very high | 64 Ų | 64 | 98.1 Ų | 98.1 | 34% | 0.335 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.9 | -38 | 178 | -163.4 | 77.5 | 0 | 0 | 0 | 111.3 | N172 S174 L180 N181 | N172-L177 HydrophobicContact CB-CD2 4.05Å; S174-L177 PolarHBondContact O-N 3.08Å; S174-L177 PolarHBondContact OG-N 2.87Å; L177-L180 PolarHBondContact O-N 3.36Å; L177-N181 WeakPolarHBondContact O-CB 3.44Å; L177-N181 VanDerWaalsContact O-CG 3.28Å; L177-N181 PolarHBondContact O-N 3.08Å; L177-N181 PolarHBondContact O-ND2 3.2Å |
| 178 | A | 92.4 | Very high | 92.8 | Very high | 58 Ų | 58 | 95.7 Ų | 95.7 | 48% | 0.479 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.2 | -44.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S174 D175 E176 N181 A182 | S174-A178 PolarHBondContact O-N 3.28Å; D175-A178 PolarHBondContact O-N 3.42Å; E176-A178 VanDerWaalsContact C-N 3.34Å; E176-A178 PolarHBondContact O-N 3Å; A178-N181 PolarHBondContact O-N 2.96Å; A178-A182 PolarHBondContact O-N 3.2Å |
| 179 | K | 96.8 | Very high | 93.3 | Very high | 143 Ų | 143 | 97.7 Ų | 97.7 | 62% | 0.622 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.3 | -45 | 175.4 | -73.8 | 171.3 | -173.7 | 175.6 | 0 | 112 | D175 E176 A182 Q183 | D175-K179 VanDerWaalsContact O-CG 3.28Å; D175-K179 WeakPolarHBondContact O-CG 3.37Å; D175-K179 PolarHBondContact O-N 3.18Å; E176-K179 PolarHBondContact O-N 3.16Å; K179-A182 PolarHBondContact O-N 3.47Å; K179-Q183 WeakPolarHBondContact O-CG 3.48Å; K179-Q183 PolarHBondContact O-N 3.34Å; K179-Q183 VanDerWaalsContact O-N 3.09Å |
| 180 | L | 97.3 | Very high | 93.8 | Very high | 87 Ų | 87 | 104.6 Ų | 104.6 | 46% | 0.455 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.5 | -48.1 | 176.3 | 178.9 | 63.4 | 0 | 0 | 0 | 111.2 | E176 L177 A182 Q183 M184 | E176-L180 PolarHBondContact O-N 3.25Å; L177-L180 PolarHBondContact O-N 3.36Å; L180-A182 VanDerWaalsContact C-N 3.32Å; L180-A182 PolarHBondContact O-N 2.9Å; L180-Q183 PolarHBondContact O-N 2.86Å; L180-M184 HydrophobicContact CD1-CG 4.38Å; L180-M184 WeakPolarHBondContact O-CG 3.24Å; L180-M184 PolarHBondContact O-N 3.25Å |
| 181 | N | 95.5 | Very high | 94.2 | Very high | 86 Ų | 86 | 102.8 Ų | 102.8 | 46% | 0.46 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.6 | -37.4 | 179.3 | -74.3 | -25.1 | 0 | 0 | 0 | 112.5 | L177 A178 M184 T185 | L177-N181 WeakPolarHBondContact O-CB 3.44Å; L177-N181 VanDerWaalsContact O-CG 3.28Å; L177-N181 PolarHBondContact O-N 3.08Å; L177-N181 PolarHBondContact O-ND2 3.2Å; A178-N181 PolarHBondContact O-N 2.96Å; N181-M184 PolarHBondContact O-N 3.47Å; N181-T185 WeakPolarHBondContact O-CB 3.34Å; N181-T185 PolarHBondContact O-N 3.42Å; N181-T185 PolarHBondContact O-OG1 2.84Å |
| 182 | A | 96.6 | Very high | 94.5 | Very high | 61 Ų | 61 | 95.1 Ų | 95.1 | 50% | 0.504 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63 | -45.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A178 K179 L180 M184 T185 E186 | A178-A182 PolarHBondContact O-N 3.2Å; K179-A182 PolarHBondContact O-N 3.47Å; L180-A182 VanDerWaalsContact C-N 3.32Å; L180-A182 PolarHBondContact O-N 2.9Å; A182-M184 PolarHBondContact O-N 3.38Å; A182-T185 PolarHBondContact O-N 2.87Å; A182-E186 PolarHBondContact O-N 3.46Å |
| 183 | Q | 97.7 | Very high | 94.8 | Very high | 105 Ų | 105 | 93.3 Ų | 93.3 | 49% | 0.491 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 175.9 | -70.6 | 175.4 | -17.9 | 0 | 0 | 112.1 | K179 L180 T185 E186 M187 | K179-Q183 WeakPolarHBondContact O-CG 3.48Å; K179-Q183 PolarHBondContact O-N 3.34Å; K179-Q183 VanDerWaalsContact O-N 3.09Å; L180-Q183 PolarHBondContact O-N 2.86Å; Q183-T185 VanDerWaalsContact C-N 3.34Å; Q183-T185 PolarHBondContact O-N 3.47Å; Q183-E186 PolarHBondContact O-N 3.46Å; Q183-M187 WeakPolarHBondContact O-CG 3.25Å; Q183-M187 PolarHBondContact O-N 2.92Å |
| 184 | M | 96.7 | Very high | 95.3 | Very high | 72 Ų | 72 | 97.9 Ų | 97.9 | 36% | 0.355 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.6 | -41.3 | 176.1 | -66.3 | -57.4 | -66.8 | 0 | 0 | 111.6 | L180 N181 A182 E186 M187 F188 | L180-M184 HydrophobicContact CD1-CG 4.38Å; L180-M184 WeakPolarHBondContact O-CG 3.24Å; L180-M184 PolarHBondContact O-N 3.25Å; N181-M184 PolarHBondContact O-N 3.47Å; A182-M184 PolarHBondContact O-N 3.38Å; M184-E186 VanDerWaalsContact C-N 3.33Å; M184-E186 PolarHBondContact O-N 3.36Å; M184-M187 PolarHBondContact O-N 3.29Å; M184-F188 HydrophobicContact CE-CD2 3.99Å; M184-F188 HydrophobicContact CE-CE2 3.53Å; M184-F188 WeakPolarHBondContact O-CD2 3.31Å; M184-F188 PolarHBondContact O-N 2.93Å |
| 185 | T | 95.6 | Very high | 95.6 | Very high | 95 Ų | 95 | 99.8 Ų | 99.8 | 58% | 0.583 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.1 | -42.4 | 176.6 | -57.5 | 0 | 0 | 0 | 0 | 111 | N181 A182 Q183 F188 C189 | N181-T185 WeakPolarHBondContact O-CB 3.34Å; N181-T185 PolarHBondContact O-N 3.42Å; N181-T185 PolarHBondContact O-OG1 2.84Å; A182-T185 PolarHBondContact O-N 2.87Å; Q183-T185 VanDerWaalsContact C-N 3.34Å; Q183-T185 PolarHBondContact O-N 3.47Å; T185-F188 PolarHBondContact O-N 2.85Å; T185-C189 VanDerWaalsContact O-CA 3.3Å; T185-C189 WeakPolarHBondContact O-CA 3.42Å; T185-C189 VanDerWaalsContact O-CB 3.24Å; T185-C189 WeakPolarHBondContact O-CB 3.48Å; T185-C189 PolarHBondContact O-N 3.26Å |
| 186 | E | 97.4 | Very high | 95.8 | Very high | 148 Ų | 148 | 96.6 Ų | 96.6 | 69% | 0.692 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.5 | -47.6 | 175.1 | -175.4 | -178.8 | -178.3 | 0 | 0 | 111.6 | A182 Q183 M184 F188 C189 | A182-E186 PolarHBondContact O-N 3.46Å; Q183-E186 PolarHBondContact O-N 3.46Å; M184-E186 VanDerWaalsContact C-N 3.33Å; M184-E186 PolarHBondContact O-N 3.36Å; E186-F188 VanDerWaalsContact C-N 3.31Å; E186-F188 PolarHBondContact O-N 2.85Å; E186-C189 PolarHBondContact O-SG 3.37Å |
| 187 | M | 96.9 | Very high | 95.9 | Very high | 137 Ų | 137 | 95 Ų | 95 | 68% | 0.675 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.2 | -34.6 | -179.9 | -70.4 | -179.6 | -165.2 | 0 | 0 | 113.4 | Q183 M184 | Q183-M187 WeakPolarHBondContact O-CG 3.25Å; Q183-M187 PolarHBondContact O-N 2.92Å; M184-M187 PolarHBondContact O-N 3.29Å |
| 188 | F | 96.7 | Very high | 96.1 | Very high | 76 Ų | 76 | 96.9 Ų | 96.9 | 33% | 0.333 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -111.7 | 12.5 | -173.4 | -67.3 | -81.1 | 0 | 0 | 0 | 114 | M184 T185 E186 W190 A191 V202 M205 | M184-F188 HydrophobicContact CE-CD2 3.99Å; M184-F188 HydrophobicContact CE-CE2 3.53Å; M184-F188 WeakPolarHBondContact O-CD2 3.31Å; M184-F188 PolarHBondContact O-N 2.93Å; T185-F188 PolarHBondContact O-N 2.85Å; E186-F188 VanDerWaalsContact C-N 3.31Å; E186-F188 PolarHBondContact O-N 2.85Å; F188-W190 PolarHBondContact O-N 2.95Å; F188-A191 HydrophobicContact CB-CB 4.27Å; F188-A191 HydrophobicContact CD1-CB 4.18Å; F188-A191 WeakPolarHBondContact O-CB 3.26Å; F188-A191 PolarHBondContact O-N 3.36Å; F188-V202 HydrophobicContact CD1-CG2 3.67Å; F188-V202 HydrophobicContact CE1-CG2 4.03Å; F188-M205 HydrophobicContact CD1-CE 3.91Å; F188-M205 HydrophobicContact CD2-CE 4.4Å; F188-M205 HydrophobicContact CE1-CE 3.42Å; F188-M205 VanDerWaalsContact CE1-CE 3.42Å; F188-M205 HydrophobicContact CE2-CE 3.99Å; F188-M205 HydrophobicContact CE2-SD 4.42Å; F188-M205 HydrophobicContact CG-CE 4.37Å; F188-M205 HydrophobicContact CZ-CE 3.47Å; F188-M205 VanDerWaalsContact CZ-CE 3.47Å; F188-M205 HydrophobicContact CZ-SD 4.09Å |
| 189 | C | 96.4 | Very high | 96.3 | Very high | 78 Ų | 78 | 96.9 Ų | 96.9 | 53% | 0.527 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -27.4 | -174.1 | 58.1 | 0 | 0 | 0 | 0 | 114.5 | T185 E186 | T185-C189 VanDerWaalsContact O-CA 3.3Å; T185-C189 WeakPolarHBondContact O-CA 3.42Å; T185-C189 VanDerWaalsContact O-CB 3.24Å; T185-C189 WeakPolarHBondContact O-CB 3.48Å; T185-C189 PolarHBondContact O-N 3.26Å; E186-C189 PolarHBondContact O-SG 3.37Å |
| 190 | W | 96.5 | Very high | 96.3 | Very high | 223 Ų | 223 | 93.5 Ų | 93.5 | 85% | 0.845 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | 2.3 | 179 | -59.9 | 111.8 | 0 | 0 | 0 | 114 | F188 F199 | F188-W190 PolarHBondContact O-N 2.95Å; W190-F199 WeakPolarHBondContact O-CZ 3.27Å |
| 191 | A | 95.5 | Very high | 96.2 | Very high | 29 Ų | 29 | 91.1 Ų | 91.1 | 24% | 0.24 | 49% | 0.488 | C | S | . | . | trans | -74.9 | 135.2 | -178 | 0 | 0 | 0 | 0 | 0 | 111 | F188 F199 V202 | F188-A191 HydrophobicContact CB-CB 4.27Å; F188-A191 HydrophobicContact CD1-CB 4.18Å; F188-A191 WeakPolarHBondContact O-CB 3.26Å; F188-A191 PolarHBondContact O-N 3.36Å; A191-F199 HydrophobicContact CB-CD1 3.96Å; A191-F199 HydrophobicContact CB-CE1 4.37Å; A191-F199 HydrophobicContact CB-CG 4.36Å; A191-V202 HydrophobicContact CB-CG2 3.56Å | ||
| 192 | N | 95.6 | Very high | 96.2 | Very high | 58 Ų | 58 | 88 Ų | 88 | 31% | 0.31 | 47% | 0.472 | S | S | . | . | trans | -129.3 | 108.7 | 179.3 | -178.5 | -2 | 0 | 0 | 0 | 110.5 | L194 H195 F199 | N192-L194 PolarHBondContact O-N 3.48Å; N192-L194 VanDerWaalsContact OD1-CB 3.29Å; N192-L194 WeakPolarHBondContact OD1-CB 3.37Å; N192-L194 WeakPolarHBondContact OD1-CG 3.23Å; N192-L194 PolarHBondContact OD1-N 2.87Å; N192-L194 VanDerWaalsContact OD1-N 3.07Å; N192-H195 PolarHBondContact O-N 3.48Å; N192-F199 HydrophobicContact CB-CD2 4.26Å; N192-F199 HydrophobicContact CB-CE2 3.89Å; N192-F199 WeakPolarHBondContact O-CD2 3.44Å | ||
| 193 | P | 92.8 | Very high | 96.2 | Very high | 63 Ų | 63 | 91.4 Ų | 91.4 | 41% | 0.409 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -10.9 | -177.3 | 26.1 | -33.4 | 0 | 0 | 0 | 114 | H195 V202 | P193-H195 PolarHBondContact O-N 3.3Å; P193-V202 HydrophobicContact CB-CG1 4.27Å |
| 194 | L | 95.6 | Very high | 96.2 | Very high | 142 Ų | 142 | 92 Ų | 92 | 74% | 0.743 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -18.4 | 169.9 | -64.4 | 175.6 | 0 | 0 | 0 | 113.3 | N192 P196 | N192-L194 PolarHBondContact O-N 3.48Å; N192-L194 VanDerWaalsContact OD1-CB 3.29Å; N192-L194 WeakPolarHBondContact OD1-CB 3.37Å; N192-L194 WeakPolarHBondContact OD1-CG 3.23Å; N192-L194 PolarHBondContact OD1-N 2.87Å; N192-L194 VanDerWaalsContact OD1-N 3.07Å; L194-P196 VanDerWaalsContact O-CD 3.26Å; L194-P196 WeakPolarHBondContact O-CD 3.44Å |
| 195 | H | 96 | Very high | 96.3 | Very high | 86 Ų | 86 | 91.6 Ų | 91.6 | 40% | 0.398 | 47% | 0.471 | S | S | . | . | trans | -118.2 | 70.6 | 178.1 | -58.1 | -71.8 | 0 | 0 | 0 | 110.7 | N192 P193 D197 I198 F199 | N192-H195 PolarHBondContact O-N 3.48Å; P193-H195 PolarHBondContact O-N 3.3Å; H195-D197 VanDerWaalsContact C-OD1 3.3Å; H195-D197 PolarHBondContact O-N 3.5Å; H195-I198 HydrophobicContact CB-CB 3.98Å; H195-I198 HydrophobicContact CB-CD1 3.92Å; H195-I198 HydrophobicContact CB-CG1 4.04Å; H195-I198 PolarHBondContact O-N 3.25Å; H195-F199 HydrophobicContact CB-CD2 4.02Å; H195-F199 HydrophobicContact CB-CE2 4.18Å; H195-F199 WeakPolarHBondContact O-CD2 3.27Å; H195-F199 PolarHBondContact O-N 2.81Å | ||
| 196 | P | 95.4 | Very high | 96.3 | Very high | 59 Ų | 59 | 90.1 Ų | 90.1 | 38% | 0.383 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -20.4 | -174.7 | 25.5 | -34.7 | 0 | 0 | 0 | 114.2 | L194 P200 R203 | L194-P196 VanDerWaalsContact O-CD 3.26Å; L194-P196 WeakPolarHBondContact O-CD 3.44Å; P196-P200 WeakPolarHBondContact O-CA 3.47Å; P196-R203 HydrophobicContact CB-CB 4.22Å; P196-R203 HydrophobicContact CB-CG 4.04Å |
| 197 | D | 97.1 | Very high | 96.3 | Very high | 125 Ų | 125 | 85.6 Ų | 85.6 | 67% | 0.668 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -38.5 | 172.3 | 60.3 | -48.6 | 0 | 0 | 0 | 112.1 | H195 | H195-D197 VanDerWaalsContact C-OD1 3.3Å; H195-D197 PolarHBondContact O-N 3.5Å |
| 198 | I | 97 | Very high | 96.4 | Very high | 104 Ų | 104 | 83.6 Ų | 83.6 | 53% | 0.533 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -36.8 | 177.6 | -56.3 | -179.7 | 0 | 0 | 0 | 111 | H195 P200 | H195-I198 HydrophobicContact CB-CB 3.98Å; H195-I198 HydrophobicContact CB-CD1 3.92Å; H195-I198 HydrophobicContact CB-CG1 4.04Å; H195-I198 PolarHBondContact O-N 3.25Å; I198-P200 WeakPolarHBondContact O-CD 3.28Å |
| 199 | F | 96.8 | Very high | 96.4 | Very high | 58 Ų | 58 | 84.1 Ų | 84.1 | 25% | 0.254 | 44% | 0.44 | S | S | . | . | trans | -117.8 | 60 | -176.3 | -54.2 | -76.5 | 0 | 0 | 0 | 112.9 | W190 A191 N192 H195 G201 V202 R203 | W190-F199 WeakPolarHBondContact O-CZ 3.27Å; A191-F199 HydrophobicContact CB-CD1 3.96Å; A191-F199 HydrophobicContact CB-CE1 4.37Å; A191-F199 HydrophobicContact CB-CG 4.36Å; N192-F199 HydrophobicContact CB-CD2 4.26Å; N192-F199 HydrophobicContact CB-CE2 3.89Å; N192-F199 WeakPolarHBondContact O-CD2 3.44Å; H195-F199 HydrophobicContact CB-CD2 4.02Å; H195-F199 HydrophobicContact CB-CE2 4.18Å; H195-F199 WeakPolarHBondContact O-CD2 3.27Å; H195-F199 PolarHBondContact O-N 2.81Å; F199-G201 PolarHBondContact O-N 2.68Å; F199-G201 VanDerWaalsContact O-N 3.14Å; F199-V202 PolarHBondContact O-N 2.9Å; F199-R203 PolarHBondContact O-N 3.38Å | ||
| 200 | P | 96.7 | Very high | 96.5 | Very high | 71 Ų | 71 | 81.6 Ų | 81.6 | 46% | 0.461 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.2 | -23.8 | -175.7 | 27.4 | -35.9 | 0 | 0 | 0 | 113.2 | P196 I198 K204 | P196-P200 WeakPolarHBondContact O-CA 3.47Å; I198-P200 WeakPolarHBondContact O-CD 3.28Å; P200-K204 WeakPolarHBondContact O-CB 3.35Å; P200-K204 PolarHBondContact O-N 2.86Å |
| 201 | G | 96 | Very high | 96.5 | Very high | 38 Ų | 38 | 75.6 Ų | 75.6 | 39% | 0.392 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.4 | -47.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F199 K204 M205 | F199-G201 PolarHBondContact O-N 2.68Å; F199-G201 VanDerWaalsContact O-N 3.14Å; G201-K204 PolarHBondContact O-N 3.31Å; G201-M205 WeakPolarHBondContact O-CG 3.29Å; G201-M205 PolarHBondContact O-N 2.91Å |
| 202 | V | 95.7 | Very high | 96.7 | Very high | 20 Ų | 20 | 79.7 Ų | 79.7 | 12% | 0.121 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -66.7 | -45.5 | 177.7 | 178.1 | 0 | 0 | 0 | 0 | 110.9 | F188 A191 P193 F199 K204 M205 E206 | F188-V202 HydrophobicContact CD1-CG2 3.67Å; F188-V202 HydrophobicContact CE1-CG2 4.03Å; A191-V202 HydrophobicContact CB-CG2 3.56Å; P193-V202 HydrophobicContact CB-CG1 4.27Å; F199-V202 PolarHBondContact O-N 2.9Å; V202-K204 PolarHBondContact O-N 3.45Å; V202-M205 HydrophobicContact CB-CE 4.33Å; V202-M205 HydrophobicContact CG2-CE 3.88Å; V202-M205 PolarHBondContact O-N 3.18Å; V202-M205 VanDerWaalsContact O-N 3.08Å; V202-E206 HydrophobicContact CG1-CG 4.34Å; V202-E206 PolarHBondContact O-N 3.49Å |
| 203 | R | 96.7 | Very high | 96.8 | Very high | 133 Ų | 133 | 80.1 Ų | 80.1 | 50% | 0.502 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -53.4 | -41.5 | 173.9 | -175.3 | -158.4 | 67.6 | 80.9 | -0.6 | 112 | P196 F199 A207 | P196-R203 HydrophobicContact CB-CB 4.22Å; P196-R203 HydrophobicContact CB-CG 4.04Å; F199-R203 PolarHBondContact O-N 3.38Å; R203-A207 WeakPolarHBondContact O-CB 3.47Å; R203-A207 PolarHBondContact O-N 3.39Å |
| 204 | K | 97.8 | Very high | 97 | Very high | 116 Ų | 116 | 77.9 Ų | 77.9 | 50% | 0.504 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.5 | -48.4 | 176.3 | -179.5 | -178.9 | 169.6 | -174.1 | 0 | 111.4 | P200 G201 V202 E206 A207 E208 | P200-K204 WeakPolarHBondContact O-CB 3.35Å; P200-K204 PolarHBondContact O-N 2.86Å; G201-K204 PolarHBondContact O-N 3.31Å; V202-K204 PolarHBondContact O-N 3.45Å; K204-E206 VanDerWaalsContact C-N 3.35Å; K204-E206 PolarHBondContact O-N 2.9Å; K204-A207 PolarHBondContact O-N 2.91Å; K204-E208 WeakPolarHBondContact CE-OE1 3.39Å; K204-E208 HydrophobicContact CG-CG 4.49Å; K204-E208 IonicContact NZ-OE1 3.74Å; K204-E208 WeakPolarHBondContact O-CG 3.43Å; K204-E208 PolarHBondContact O-N 3.46Å |
| 205 | M | 97.3 | Very high | 97.1 | Very high | 64 Ų | 64 | 75.4 Ų | 75.4 | 32% | 0.315 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -58.4 | -44.6 | 178.4 | -70.9 | -172.6 | -64.3 | 0 | 0 | 111.9 | F188 G201 V202 A207 E208 I209 | F188-M205 HydrophobicContact CD1-CE 3.91Å; F188-M205 HydrophobicContact CD2-CE 4.4Å; F188-M205 HydrophobicContact CE1-CE 3.42Å; F188-M205 VanDerWaalsContact CE1-CE 3.42Å; F188-M205 HydrophobicContact CE2-CE 3.99Å; F188-M205 HydrophobicContact CE2-SD 4.42Å; F188-M205 HydrophobicContact CG-CE 4.37Å; F188-M205 HydrophobicContact CZ-CE 3.47Å; F188-M205 VanDerWaalsContact CZ-CE 3.47Å; F188-M205 HydrophobicContact CZ-SD 4.09Å; G201-M205 WeakPolarHBondContact O-CG 3.29Å; G201-M205 PolarHBondContact O-N 2.91Å; V202-M205 HydrophobicContact CB-CE 4.33Å; V202-M205 HydrophobicContact CG2-CE 3.88Å; V202-M205 PolarHBondContact O-N 3.18Å; V202-M205 VanDerWaalsContact O-N 3.08Å; M205-A207 PolarHBondContact O-N 2.87Å; M205-E208 PolarHBondContact O-N 3.48Å; M205-I209 VanDerWaalsContact O-CG1 3.24Å; M205-I209 WeakPolarHBondContact O-CG1 3.4Å; M205-I209 PolarHBondContact O-N 2.92Å |
| 206 | E | 96.7 | Very high | 97.2 | Very high | 64 Ų | 64 | 77.5 Ų | 77.5 | 30% | 0.299 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.2 | -44 | 176.7 | -71.7 | -176.3 | 160.9 | 0 | 0 | 112.1 | V202 K204 E208 I209 V210 V227 | V202-E206 HydrophobicContact CG1-CG 4.34Å; V202-E206 PolarHBondContact O-N 3.49Å; K204-E206 VanDerWaalsContact C-N 3.35Å; K204-E206 PolarHBondContact O-N 2.9Å; E206-E208 VanDerWaalsContact C-N 3.35Å; E206-E208 PolarHBondContact O-N 3.46Å; E206-I209 PolarHBondContact O-N 3.43Å; E206-V210 WeakPolarHBondContact O-CG2 3.41Å; E206-V210 PolarHBondContact O-N 3.34Å; E206-V227 HydrophobicContact CB-CG2 4.06Å; E206-V227 HydrophobicContact CG-CB 4.46Å; E206-V227 HydrophobicContact CG-CG2 4.15Å |
| 207 | A | 97.6 | Very high | 97.3 | Very high | 54 Ų | 54 | 82.1 Ų | 82.1 | 45% | 0.446 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R203 K204 M205 R211 | R203-A207 WeakPolarHBondContact O-CB 3.47Å; R203-A207 PolarHBondContact O-N 3.39Å; K204-A207 PolarHBondContact O-N 2.91Å; M205-A207 PolarHBondContact O-N 2.87Å; A207-R211 WeakPolarHBondContact O-CB 3.45Å; A207-R211 PolarHBondContact O-N 3.47Å |
| 208 | E | 98.3 | Very high | 97.3 | Very high | 94 Ų | 94 | 83.3 Ų | 83.3 | 44% | 0.439 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -67 | -43.6 | 176 | -72.8 | 175.8 | 168.6 | 0 | 0 | 111.5 | K204 M205 E206 V210 R211 I212 | K204-E208 WeakPolarHBondContact CE-OE1 3.39Å; K204-E208 HydrophobicContact CG-CG 4.49Å; K204-E208 IonicContact NZ-OE1 3.74Å; K204-E208 WeakPolarHBondContact O-CG 3.43Å; K204-E208 PolarHBondContact O-N 3.46Å; M205-E208 PolarHBondContact O-N 3.48Å; E206-E208 VanDerWaalsContact C-N 3.35Å; E206-E208 PolarHBondContact O-N 3.46Å; E208-V210 PolarHBondContact O-N 2.95Å; E208-R211 PolarHBondContact O-N 3.38Å; E208-I212 WeakPolarHBondContact O-CB 3.37Å; E208-I212 WeakPolarHBondContact O-CD1 3.49Å; E208-I212 VanDerWaalsContact O-CG1 3.25Å; E208-I212 WeakPolarHBondContact O-CG1 3.46Å; E208-I212 PolarHBondContact O-N 3.25Å |
| 209 | I | 97.5 | Very high | 97.2 | Very high | 88 Ų | 88 | 80.3 Ų | 80.3 | 45% | 0.451 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -56.7 | -51.3 | 174.5 | -71 | 163.7 | 0 | 0 | 0 | 110.4 | M205 E206 R211 I212 V213 V227 | M205-I209 VanDerWaalsContact O-CG1 3.24Å; M205-I209 WeakPolarHBondContact O-CG1 3.4Å; M205-I209 PolarHBondContact O-N 2.92Å; E206-I209 PolarHBondContact O-N 3.43Å; I209-R211 VanDerWaalsContact C-N 3.3Å; I209-R211 PolarHBondContact O-N 2.87Å; I209-I212 PolarHBondContact O-N 3.22Å; I209-V213 WeakPolarHBondContact O-CG2 3.5Å; I209-V213 PolarHBondContact O-N 2.91Å; I209-V227 HydrophobicContact CG2-CG2 4.24Å |
| 210 | V | 97.4 | Very high | 97.2 | Very high | 25 Ų | 25 | 79.1 Ų | 79.1 | 15% | 0.152 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -57.6 | -45.6 | 178.4 | 169.7 | 0 | 0 | 0 | 0 | 110.5 | E206 E208 V213 C214 V227 | E206-V210 WeakPolarHBondContact O-CG2 3.41Å; E206-V210 PolarHBondContact O-N 3.34Å; E208-V210 PolarHBondContact O-N 2.95Å; V210-V213 PolarHBondContact O-N 3.44Å; V210-C214 WeakPolarHBondContact O-CB 3.44Å; V210-C214 PolarHBondContact O-N 2.91Å; V210-C214 PolarHBondContact O-SG 2.9Å; V210-V227 HydrophobicContact CG2-CG2 3.97Å |
| 211 | R | 97.9 | Very high | 97.1 | Very high | 97 Ų | 97 | 80.9 Ų | 80.9 | 37% | 0.366 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.6 | -41.2 | 179.7 | -177.4 | 52.7 | 57.8 | -173.9 | -1.4 | 112.5 | A207 E208 I209 V213 C214 N215 G220 A223 | A207-R211 WeakPolarHBondContact O-CB 3.45Å; A207-R211 PolarHBondContact O-N 3.47Å; E208-R211 PolarHBondContact O-N 3.38Å; I209-R211 VanDerWaalsContact C-N 3.3Å; I209-R211 PolarHBondContact O-N 2.87Å; R211-V213 VanDerWaalsContact C-N 3.34Å; R211-C214 PolarHBondContact O-N 2.98Å; R211-N215 WeakPolarHBondContact O-CB 3.48Å; R211-N215 VanDerWaalsContact O-CG 3.22Å; R211-N215 PolarHBondContact O-N 3.47Å; R211-N215 PolarHBondContact O-ND2 3.34Å; R211-G220 PolarHBondContact NH1-O 2.97Å; R211-A223 PolarHBondContact NH2-O 3.02Å |
| 212 | I | 98.3 | Very high | 97.1 | Very high | 114 Ų | 114 | 87.4 Ų | 87.4 | 59% | 0.585 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -59.3 | -46.9 | 175.5 | -71.5 | 162.5 | 0 | 0 | 0 | 110 | E208 I209 N215 L216 | E208-I212 WeakPolarHBondContact O-CB 3.37Å; E208-I212 WeakPolarHBondContact O-CD1 3.49Å; E208-I212 VanDerWaalsContact O-CG1 3.25Å; E208-I212 WeakPolarHBondContact O-CG1 3.46Å; E208-I212 PolarHBondContact O-N 3.25Å; I209-I212 PolarHBondContact O-N 3.22Å; I212-N215 PolarHBondContact O-N 2.91Å; I212-L216 WeakPolarHBondContact O-CB 3.46Å; I212-L216 PolarHBondContact O-N 3.47Å |
| 213 | V | 97.3 | Very high | 97.1 | Very high | 68 Ų | 68 | 87.7 Ų | 87.7 | 41% | 0.412 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.1 | -45 | 178.8 | 175.7 | 0 | 0 | 0 | 0 | 111.4 | I209 V210 R211 N215 L216 F217 | I209-V213 WeakPolarHBondContact O-CG2 3.5Å; I209-V213 PolarHBondContact O-N 2.91Å; V210-V213 PolarHBondContact O-N 3.44Å; R211-V213 VanDerWaalsContact C-N 3.34Å; V213-N215 PolarHBondContact O-N 3.14Å; V213-L216 WeakPolarHBondContact O-CB 3.26Å; V213-L216 PolarHBondContact O-N 3.44Å; V213-L216 VanDerWaalsContact O-N 3.12Å; V213-F217 HydrophobicContact CG1-CD2 3.86Å; V213-F217 HydrophobicContact CG1-CE2 3.96Å; V213-F217 WeakPolarHBondContact O-CD2 3.4Å; V213-F217 PolarHBondContact O-N 2.94Å; V213-F217 VanDerWaalsContact O-N 3.08Å |
| 214 | C | 97.5 | Very high | 97.1 | Very high | 16 Ų | 16 | 86.8 Ų | 86.8 | 11% | 0.108 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -54.9 | -41.8 | 174.3 | -73.9 | 0 | 0 | 0 | 0 | 111.9 | V210 R211 F217 N218 G219 A223 | V210-C214 WeakPolarHBondContact O-CB 3.44Å; V210-C214 PolarHBondContact O-N 2.91Å; V210-C214 PolarHBondContact O-SG 2.9Å; R211-C214 PolarHBondContact O-N 2.98Å; C214-F217 CarbonylContact O-C 3.57Å; C214-F217 PolarHBondContact O-N 2.92Å; C214-N218 PolarHBondContact O-N 3.24Å; C214-G219 PolarHBondContact O-N 3.29Å; C214-A223 HydrophobicContact CB-CB 4.09Å |
| 215 | N | 97.7 | Very high | 96.9 | Very high | 90 Ų | 90 | 83.8 Ų | 83.8 | 48% | 0.481 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -70.2 | -39.1 | 177.8 | -69.4 | -11.7 | 0 | 0 | 0 | 112 | R211 I212 V213 F217 N218 | R211-N215 WeakPolarHBondContact O-CB 3.48Å; R211-N215 VanDerWaalsContact O-CG 3.22Å; R211-N215 PolarHBondContact O-N 3.47Å; R211-N215 PolarHBondContact O-ND2 3.34Å; I212-N215 PolarHBondContact O-N 2.91Å; V213-N215 PolarHBondContact O-N 3.14Å; N215-F217 PolarHBondContact O-N 3.05Å; N215-N218 PolarHBondContact O-N 3.48Å |
| 216 | L | 98 | Very high | 96.7 | Very high | 129 Ų | 129 | 85.1 Ų | 85.1 | 68% | 0.675 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -57.9 | -34.6 | 175.2 | -176.4 | 65.9 | 0 | 0 | 0 | 112.1 | I212 V213 | I212-L216 WeakPolarHBondContact O-CB 3.46Å; I212-L216 PolarHBondContact O-N 3.47Å; V213-L216 WeakPolarHBondContact O-CB 3.26Å; V213-L216 PolarHBondContact O-N 3.44Å; V213-L216 VanDerWaalsContact O-N 3.12Å |
| 217 | F | 97.6 | Very high | 96.6 | Very high | 157 Ų | 157 | 85 Ų | 85 | 69% | 0.689 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 12.4 | 175.9 | -72.2 | -81.6 | 0 | 0 | 0 | 114.2 | V213 C214 N215 G219 | V213-F217 HydrophobicContact CG1-CD2 3.86Å; V213-F217 HydrophobicContact CG1-CE2 3.96Å; V213-F217 WeakPolarHBondContact O-CD2 3.4Å; V213-F217 PolarHBondContact O-N 2.94Å; V213-F217 VanDerWaalsContact O-N 3.08Å; C214-F217 CarbonylContact O-C 3.57Å; C214-F217 PolarHBondContact O-N 2.92Å; N215-F217 PolarHBondContact O-N 3.05Å; F217-G219 VanDerWaalsContact C-N 3.28Å; F217-G219 PolarHBondContact O-N 3.07Å |
| 218 | N | 97.2 | Very high | 96.2 | Very high | 149 Ų | 149 | 86.7 Ų | 86.7 | 80% | 0.797 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 33.9 | 179.2 | -55.7 | -69.6 | 0 | 0 | 0 | 114.8 | C214 N215 G220 | C214-N218 PolarHBondContact O-N 3.24Å; N215-N218 PolarHBondContact O-N 3.48Å; N218-G220 PolarHBondContact O-N 2.94Å |
| 219 | G | 95.7 | Very high | 95.4 | Very high | 42 Ų | 42 | 88 Ų | 88 | 43% | 0.433 | 51% | 0.508 | S | S | . | . | trans | -70.1 | -11.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | C214 F217 A223 | C214-G219 PolarHBondContact O-N 3.29Å; F217-G219 VanDerWaalsContact C-N 3.28Å; F217-G219 PolarHBondContact O-N 3.07Å; G219-A223 VanDerWaalsContact O-CB 3.29Å; G219-A223 WeakPolarHBondContact O-CB 3.49Å | ||
| 220 | G | 95.6 | Very high | 94.1 | Very high | 33 Ų | 33 | 89.4 Ų | 89.4 | 34% | 0.34 | 52% | 0.516 | S | S | . | . | trans | 73 | -171.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | R211 N218 H222 A223 | R211-G220 PolarHBondContact NH1-O 2.97Å; N218-G220 PolarHBondContact O-N 2.94Å; G220-H222 VanDerWaalsContact C-N 3.34Å; G220-H222 PolarHBondContact O-N 3.49Å; G220-A223 PolarHBondContact O-N 3.48Å | ||
| 221 | P | 95.4 | Very high | 92.8 | Very high | 107 Ų | 107 | 92.9 Ų | 92.9 | 70% | 0.695 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -30.2 | -172.5 | 26.1 | -33.8 | 0 | 0 | 0 | 113.3 | ||
| 222 | H | 96.6 | Very high | 91.4 | Very high | 176 Ų | 176 | 93.3 Ų | 93.3 | 82% | 0.815 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -10.9 | -177.2 | -59.9 | -61.6 | 0 | 0 | 0 | 113.9 | G220 C224 | G220-H222 VanDerWaalsContact C-N 3.34Å; G220-H222 PolarHBondContact O-N 3.49Å; H222-C224 PolarHBondContact O-N 3.13Å |
| 223 | A | 96 | Very high | 90.1 | Very high | 25 Ų | 25 | 91 Ų | 91 | 21% | 0.207 | 54% | 0.539 | C | S | . | . | trans | -65.4 | 134.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | R211 C214 G219 G220 | R211-A223 PolarHBondContact NH2-O 3.02Å; C214-A223 HydrophobicContact CB-CB 4.09Å; G219-A223 VanDerWaalsContact O-CB 3.29Å; G219-A223 WeakPolarHBondContact O-CB 3.49Å; G220-A223 PolarHBondContact O-N 3.48Å | ||
| 224 | C | 95.3 | Very high | 88.7 | Confident | 115 Ų | 115 | 90.1 Ų | 90.1 | 78% | 0.777 | 53% | 0.534 | S | S | * | . | trans | -136.6 | 170.5 | 178.9 | 64.6 | 0 | 0 | 0 | 0 | 110.4 | H222 | H222-C224 PolarHBondContact O-N 3.13Š| ||
| 225 | G | 94.1 | Very high | 87.6 | Confident | 53 Ų | 53 | 94.3 Ų | 94.3 | 55% | 0.546 | 56% | 0.56 | S | S | . | * | trans | -175.9 | -178.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 226 | T | 93.9 | Very high | 86.6 | Confident | 92 Ų | 92 | 95.3 Ų | 95.3 | 56% | 0.564 | 56% | 0.564 | S | S | * | * | trans | -143.1 | 155.4 | 174.8 | -169.7 | 0 | 0 | 0 | 0 | 109.9 | F228 | T226-F228 HydrophobicContact CG2-CD2 3.98Å; T226-F228 HydrophobicContact CG2-CE1 4.15Å; T226-F228 HydrophobicContact CG2-CE2 3.25Å; T226-F228 HydrophobicContact CG2-CZ 3.36Å | ||
| 227 | V | 93.7 | Very high | 85.5 | Confident | 61 Ų | 61 | 90.7 Ų | 90.7 | 37% | 0.37 | 55% | 0.545 | S | S | . | . | trans | -84.2 | 137 | 178.9 | -178.7 | 0 | 0 | 0 | 0 | 109.5 | E206 I209 V210 | E206-V227 HydrophobicContact CB-CG2 4.06Å; E206-V227 HydrophobicContact CG-CB 4.46Å; E206-V227 HydrophobicContact CG-CG2 4.15Å; I209-V227 HydrophobicContact CG2-CG2 4.24Å; V210-V227 HydrophobicContact CG2-CG2 3.97Å | ||
| 228 | F | 88.6 | Confident | 84.6 | Confident | 89 Ų | 89 | 86.7 Ų | 86.7 | 39% | 0.39 | 53% | 0.533 | S | S | . | . | trans | -126 | 147.6 | 176.4 | -68.1 | -83.2 | 0 | 0 | 0 | 110.8 | T226 L230 N233 P234 A237 | T226-F228 HydrophobicContact CG2-CD2 3.98Å; T226-F228 HydrophobicContact CG2-CE1 4.15Å; T226-F228 HydrophobicContact CG2-CE2 3.25Å; T226-F228 HydrophobicContact CG2-CZ 3.36Å; F228-L230 VanDerWaalsContact C-N 3.33Å; F228-L230 PolarHBondContact O-N 3.36Å; F228-N233 HydrophobicContact CB-CB 3.98Å; F228-N233 HydrophobicContact CD1-CB 3.68Å; F228-N233 HydrophobicContact CE1-CB 4.44Å; F228-N233 HydrophobicContact CG-CB 4.05Å; F228-P234 HydrophobicContact CB-CG 4.23Å; F228-P234 HydrophobicContact CD2-CG 3.81Å; F228-P234 HydrophobicContact CE2-CG 4.42Å; F228-P234 HydrophobicContact CG-CG 4.17Å; F228-A237 HydrophobicContact CE1-CB 4.11Å; F228-A237 HydrophobicContact CZ-CB 3.85Å | ||
| 229 | C | 81.3 | Confident | 83.9 | Confident | 122 Ų | 122 | 83 Ų | 83 | 82% | 0.824 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -65.3 | -30.4 | -177.3 | -56.4 | 0 | 0 | 0 | 0 | 114.7 | ||
| 230 | L | 71.8 | Confident | 83.1 | Confident | 117 Ų | 117 | 87.2 Ų | 87.2 | 61% | 0.613 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -148.3 | 156.1 | -173 | -73.8 | 169.1 | 0 | 0 | 0 | 110.6 | F228 I232 N233 P234 | F228-L230 VanDerWaalsContact C-N 3.33Å; F228-L230 PolarHBondContact O-N 3.36Å; L230-I232 PolarHBondContact O-N 3.07Å; L230-N233 PolarHBondContact O-N 3.35Å; L230-N233 VanDerWaalsContact O-N 3.15Å; L230-P234 WeakPolarHBondContact O-CD 3.37Å |
| 231 | S | 69.8 | Low | 82.4 | Confident | 98 Ų | 98 | 88.4 Ų | 88.4 | 69% | 0.685 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -25.4 | 179.9 | 55.2 | 0 | 0 | 0 | 0 | 114.5 | N233 P234 T235 | S231-N233 VanDerWaalsContact C-N 3.27Å; S231-N233 PolarHBondContact O-N 2.83Å; S231-P234 WeakPolarHBondContact O-CD 3.49Å; S231-T235 PolarHBondContact O-OG1 3.35Å |
| 232 | I | 68.1 | Low | 81.6 | Confident | 107 Ų | 107 | 90.3 Ų | 90.3 | 55% | 0.549 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.9 | -32.7 | 178.4 | -61.7 | 171.4 | 0 | 0 | 0 | 111.1 | L230 T235 I236 | L230-I232 PolarHBondContact O-N 3.07Å; I232-T235 PolarHBondContact O-N 2.87Å; I232-I236 HydrophobicContact CG2-CD1 3.81Å; I232-I236 HydrophobicContact CG2-CG1 4.44Å; I232-I236 PolarHBondContact O-N 3.37Å |
| 233 | N | 71.8 | Confident | 80.7 | Confident | 66 Ų | 66 | 85.6 Ų | 85.6 | 35% | 0.353 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.3 | -47.6 | -174 | -68.2 | -13.4 | 0 | 0 | 0 | 112.3 | F228 L230 S231 T235 I236 A237 | F228-N233 HydrophobicContact CB-CB 3.98Å; F228-N233 HydrophobicContact CD1-CB 3.68Å; F228-N233 HydrophobicContact CE1-CB 4.44Å; F228-N233 HydrophobicContact CG-CB 4.05Å; L230-N233 PolarHBondContact O-N 3.35Å; L230-N233 VanDerWaalsContact O-N 3.15Å; S231-N233 VanDerWaalsContact C-N 3.27Å; S231-N233 PolarHBondContact O-N 2.83Å; N233-T235 VanDerWaalsContact C-N 3.29Å; N233-T235 PolarHBondContact O-N 2.79Å; N233-I236 PolarHBondContact O-N 2.91Å; N233-I236 VanDerWaalsContact O-N 3.13Å; N233-A237 VanDerWaalsContact O-CB 3.27Å; N233-A237 WeakPolarHBondContact O-CB 3.32Å; N233-A237 PolarHBondContact O-N 2.88Å |
| 234 | P | 66.6 | Low | 79.8 | Confident | 48 Ų | 48 | 88.2 Ų | 88.2 | 31% | 0.312 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -55 | -40.3 | 170.4 | -27.2 | 32.3 | 0 | 0 | 0 | 113.8 | F228 L230 S231 I236 A237 T238 | F228-P234 HydrophobicContact CB-CG 4.23Å; F228-P234 HydrophobicContact CD2-CG 3.81Å; F228-P234 HydrophobicContact CE2-CG 4.42Å; F228-P234 HydrophobicContact CG-CG 4.17Å; L230-P234 WeakPolarHBondContact O-CD 3.37Å; S231-P234 WeakPolarHBondContact O-CD 3.49Å; P234-I236 PolarHBondContact O-N 3.24Å; P234-A237 PolarHBondContact O-N 2.85Å; P234-T238 VanDerWaalsContact O-CB 3.3Å; P234-T238 WeakPolarHBondContact O-CB 3.29Å; P234-T238 PolarHBondContact O-N 3.27Å; P234-T238 PolarHBondContact O-OG1 2.8Å; P234-T238 VanDerWaalsContact O-OG1 3.06Å |
| 235 | T | 74.5 | Confident | 78.7 | Confident | 104 Ų | 104 | 87.3 Ų | 87.3 | 64% | 0.638 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.4 | -26.3 | 179.2 | -49.7 | 0 | 0 | 0 | 0 | 112.9 | S231 I232 N233 P239 | S231-T235 PolarHBondContact O-OG1 3.35Å; I232-T235 PolarHBondContact O-N 2.87Å; N233-T235 VanDerWaalsContact C-N 3.29Å; N233-T235 PolarHBondContact O-N 2.79Å; T235-P239 WeakPolarHBondContact O-CD 3.3Å; T235-P239 WeakPolarHBondContact O-CG 3.28Å |
| 236 | I | 77.9 | Confident | 77.1 | Confident | 112 Ų | 112 | 93.1 Ų | 93.1 | 57% | 0.574 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -90.4 | -43.6 | 175.2 | -62.4 | 170.6 | 0 | 0 | 0 | 110.9 | I232 N233 P234 P239 F240 | I232-I236 HydrophobicContact CG2-CD1 3.81Å; I232-I236 HydrophobicContact CG2-CG1 4.44Å; I232-I236 PolarHBondContact O-N 3.37Å; N233-I236 PolarHBondContact O-N 2.91Å; N233-I236 VanDerWaalsContact O-N 3.13Å; P234-I236 PolarHBondContact O-N 3.24Å; I236-P239 WeakPolarHBondContact O-CD 3.34Å; I236-F240 WeakPolarHBondContact O-CB 3.34Å; I236-F240 PolarHBondContact O-N 3.23Å |
| 237 | A | 75 | Confident | 74.8 | Confident | 32 Ų | 32 | 99.3 Ų | 99.3 | 26% | 0.264 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -70 | -37.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | F228 N233 P234 F240 A241 | F228-A237 HydrophobicContact CE1-CB 4.11Å; F228-A237 HydrophobicContact CZ-CB 3.85Å; N233-A237 VanDerWaalsContact O-CB 3.27Å; N233-A237 WeakPolarHBondContact O-CB 3.32Å; N233-A237 PolarHBondContact O-N 2.88Å; P234-A237 PolarHBondContact O-N 2.85Å; A237-F240 PolarHBondContact O-N 3.45Å; A237-A241 WeakPolarHBondContact O-CB 3.25Å; A237-A241 PolarHBondContact O-N 2.89Å |
| 238 | T | 77.9 | Confident | 73.9 | Confident | 73 Ų | 73 | 101.3 Ų | 101.3 | 45% | 0.448 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.8 | -51.5 | -179.5 | -62.1 | 0 | 0 | 0 | 0 | 112 | P234 F240 A241 Y242 | P234-T238 VanDerWaalsContact O-CB 3.3Å; P234-T238 WeakPolarHBondContact O-CB 3.29Å; P234-T238 PolarHBondContact O-N 3.27Å; P234-T238 PolarHBondContact O-OG1 2.8Å; P234-T238 VanDerWaalsContact O-OG1 3.06Å; T238-F240 VanDerWaalsContact C-N 3.29Å; T238-F240 PolarHBondContact O-N 3.3Å; T238-A241 PolarHBondContact O-N 3.38Å; T238-Y242 HydrophobicContact CG2-CD2 3.8Å; T238-Y242 HydrophobicContact CG2-CE2 3.46Å; T238-Y242 VanDerWaalsContact CG2-CE2 3.46Å; T238-Y242 WeakPolarHBondContact O-CD2 3.14Å; T238-Y242 PolarHBondContact O-N 3.27Å |
| 239 | P | 81.4 | Confident | 73.1 | Confident | 70 Ų | 70 | 101.9 Ų | 101.9 | 46% | 0.455 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -56.6 | -41.2 | 172.2 | -26.4 | 35.2 | 0 | 0 | 0 | 113.1 | T235 I236 A241 Y242 T243 | T235-P239 WeakPolarHBondContact O-CD 3.3Å; T235-P239 WeakPolarHBondContact O-CG 3.28Å; I236-P239 WeakPolarHBondContact O-CD 3.34Å; P239-A241 VanDerWaalsContact C-N 3.33Å; P239-A241 PolarHBondContact O-N 3.35Å; P239-Y242 PolarHBondContact O-N 3.3Å; P239-T243 WeakPolarHBondContact O-CG2 3.09Å; P239-T243 PolarHBondContact O-N 2.64Å; P239-T243 PolarHBondContact O-OG1 3.08Å |
| 240 | F | 79.6 | Confident | 72.6 | Confident | 132 Ų | 132 | 100.8 Ų | 100.8 | 58% | 0.579 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.2 | -37.2 | 177.9 | -173.3 | -100.9 | 0 | 0 | 0 | 112.9 | I236 A237 T238 T243 N244 | I236-F240 WeakPolarHBondContact O-CB 3.34Å; I236-F240 PolarHBondContact O-N 3.23Å; A237-F240 PolarHBondContact O-N 3.45Å; T238-F240 VanDerWaalsContact C-N 3.29Å; T238-F240 PolarHBondContact O-N 3.3Å; F240-T243 WeakPolarHBondContact CA-OG1 3.22Å; F240-T243 PolarHBondContact O-OG1 2.78Å; F240-N244 WeakPolarHBondContact CD1-ND2 3.44Å; F240-N244 WeakPolarHBondContact CE1-ND2 3.32Å; F240-N244 VanDerWaalsContact CZ-ND2 3.34Å; F240-N244 WeakPolarHBondContact CZ-ND2 3.36Å; F240-N244 VanDerWaalsContact O-CG 3.28Å; F240-N244 PolarHBondContact O-N 3.42Å; F240-N244 PolarHBondContact O-ND2 3.16Å |
| 241 | A | 80.4 | Confident | 72.7 | Confident | 57 Ų | 57 | 99.8 Ų | 99.8 | 47% | 0.471 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.6 | -41.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A237 T238 P239 T245 | A237-A241 WeakPolarHBondContact O-CB 3.25Å; A237-A241 PolarHBondContact O-N 2.89Å; T238-A241 PolarHBondContact O-N 3.38Å; P239-A241 VanDerWaalsContact C-N 3.33Å; P239-A241 PolarHBondContact O-N 3.35Å; A241-T245 WeakPolarHBondContact O-CG2 3.35Å; A241-T245 PolarHBondContact O-N 3.47Å; A241-T245 PolarHBondContact O-OG1 2.97Å |
| 242 | Y | 79.8 | Confident | 72.9 | Confident | 147 Ų | 147 | 99.9 Ų | 99.9 | 58% | 0.576 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.5 | -44.1 | 176.7 | -78.2 | -68.7 | 0 | 0 | 0 | 112.4 | T238 P239 N244 T245 F246 | T238-Y242 HydrophobicContact CG2-CD2 3.8Å; T238-Y242 HydrophobicContact CG2-CE2 3.46Å; T238-Y242 VanDerWaalsContact CG2-CE2 3.46Å; T238-Y242 WeakPolarHBondContact O-CD2 3.14Å; T238-Y242 PolarHBondContact O-N 3.27Å; P239-Y242 PolarHBondContact O-N 3.3Å; Y242-N244 VanDerWaalsContact C-N 3.29Å; Y242-N244 PolarHBondContact O-N 2.93Å; Y242-T245 WeakPolarHBondContact CA-OG1 3.31Å; Y242-T245 PolarHBondContact O-N 3.44Å; Y242-T245 VanDerWaalsContact O-N 3.1Å; Y242-T245 PolarHBondContact O-OG1 3.49Å; Y242-F246 HydrophobicContact CD1-CE2 4.25Å; Y242-F246 WeakPolarHBondContact O-CD2 3.42Å |
| 243 | T | 77.6 | Confident | 73.2 | Confident | 77 Ų | 77 | 99.5 Ų | 99.5 | 47% | 0.472 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.2 | -41 | 179.2 | 51.7 | 0 | 0 | 0 | 0 | 111.9 | P239 F240 T245 F246 | P239-T243 WeakPolarHBondContact O-CG2 3.09Å; P239-T243 PolarHBondContact O-N 2.64Å; P239-T243 PolarHBondContact O-OG1 3.08Å; F240-T243 WeakPolarHBondContact CA-OG1 3.22Å; F240-T243 PolarHBondContact O-OG1 2.78Å; T243-T245 VanDerWaalsContact C-N 3.26Å; T243-T245 PolarHBondContact O-N 3.38Å; T243-F246 PolarHBondContact O-N 3.14Å |
| 244 | N | 76.7 | Confident | 73.3 | Confident | 81 Ų | 81 | 101.9 Ų | 101.9 | 43% | 0.433 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -11.1 | -179.6 | -63.6 | -19.1 | 0 | 0 | 0 | 113.9 | F240 Y242 | F240-N244 WeakPolarHBondContact CD1-ND2 3.44Å; F240-N244 WeakPolarHBondContact CE1-ND2 3.32Å; F240-N244 VanDerWaalsContact CZ-ND2 3.34Å; F240-N244 WeakPolarHBondContact CZ-ND2 3.36Å; F240-N244 VanDerWaalsContact O-CG 3.28Å; F240-N244 PolarHBondContact O-N 3.42Å; F240-N244 PolarHBondContact O-ND2 3.16Å; Y242-N244 VanDerWaalsContact C-N 3.29Å; Y242-N244 PolarHBondContact O-N 2.93Å |
| 245 | T | 72.8 | Confident | 73.8 | Confident | 95 Ų | 95 | 106 Ų | 106 | 58% | 0.583 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | -12.1 | 175.1 | 48.9 | 0 | 0 | 0 | 0 | 113.9 | A241 Y242 T243 | A241-T245 WeakPolarHBondContact O-CG2 3.35Å; A241-T245 PolarHBondContact O-N 3.47Å; A241-T245 PolarHBondContact O-OG1 2.97Å; Y242-T245 WeakPolarHBondContact CA-OG1 3.31Å; Y242-T245 PolarHBondContact O-N 3.44Å; Y242-T245 VanDerWaalsContact O-N 3.1Å; Y242-T245 PolarHBondContact O-OG1 3.49Å; T243-T245 VanDerWaalsContact C-N 3.26Å; T243-T245 PolarHBondContact O-N 3.38Å |
| 246 | F | 59.2 | Low | 73.7 | Confident | 175 Ų | 175 | 106.2 Ų | 106.2 | 77% | 0.768 | 56% | 0.555 | S | S | * | * | trans | -108 | 5.4 | -180 | -67.6 | -69.9 | 0 | 0 | 0 | 113.8 | Y242 T243 | Y242-F246 HydrophobicContact CD1-CE2 4.25Å; Y242-F246 WeakPolarHBondContact O-CD2 3.42Å; T243-F246 PolarHBondContact O-N 3.14Å | ||
| 247 | E | 46.7 | Very low | 73.4 | Confident | 223 Ų | 223 | 105.6 Ų | 105.6 | 100% | 1.042 | 55% | 0.554 | S | S | * | * | trans | -93.7 | 0 | 164.1 | -68.1 | -174.6 | 169.9 | 0 | 0 | 110.8 |
Retrieved 247 of 247 residues in 130.2 ms
(Link to these results)