| 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 | 36.3 | Very low | 48.2 | Very low | 240 Ų | 240 | 150.9 Ų | 150.9 | 100% | 1.182 | 82% | 0.815 | S | S | * | * | 0 | 93.9 | 0 | -85.1 | -179.6 | 150.2 | 0 | 0 | 106.5 | |||||
| 2 | D | 35.1 | Very low | 48.8 | Very low | 163 Ų | 163 | 146.8 Ų | 146.8 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | trans | -77.2 | 127.9 | -177.1 | -65 | -65.8 | 0 | 0 | 0 | 110.9 | ||||
| 3 | L | 38.8 | Very low | 49.4 | Very low | 177 Ų | 177 | 140 Ų | 140 | 93% | 0.927 | 77% | 0.768 | S | S | * | * | trans | -102.6 | 102.2 | 163.3 | -75.7 | 170.9 | 0 | 0 | 0 | 108 | A5 | L3-A5 PolarHBondContact O-N 3.45Š| ||
| 4 | R | 42.6 | Very low | 49.8 | Very low | 251 Ų | 251 | 135.9 Ų | 135.9 | 95% | 0.947 | 75% | 0.752 | S | S | * | * | trans | -78.8 | 98.5 | 176.9 | -152 | -179.1 | -170.4 | -178.6 | 1.7 | 108.4 | ||||
| 5 | A | 48.7 | Very low | 50.2 | Low | 109 Ų | 109 | 135 Ų | 135 | 90% | 0.901 | 75% | 0.745 | S | S | * | * | trans | -95.9 | 95.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | L3 | L3-A5 PolarHBondContact O-N 3.45Š| ||
| 6 | G | 53.9 | Low | 50.6 | Low | 60 Ų | 60 | 131.2 Ų | 131.2 | 62% | 0.619 | 73% | 0.73 | S | S | * | * | trans | -150.4 | 137.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 7 | D | 56.8 | Low | 50.8 | Low | 154 Ų | 154 | 127.7 Ų | 127.7 | 82% | 0.824 | 71% | 0.713 | S | S | * | * | trans | 111.8 | 30.8 | 170.4 | -61.3 | -12.5 | 0 | 0 | 0 | 118.8 | ||||
| 8 | S | 56.9 | Low | 51 | Low | 86 Ų | 86 | 125.9 Ų | 125.9 | 60% | 0.601 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -97.3 | -17.9 | 164.8 | -167.6 | 0 | 0 | 0 | 0 | 114.6 | ||
| 9 | W | 53.7 | Low | 51.2 | Low | 223 Ų | 223 | 126.5 Ų | 126.5 | 85% | 0.845 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -89.4 | -27.9 | -174.6 | -72.7 | 88.8 | 0 | 0 | 0 | 113.5 | A13 | W9-A13 PolarHBondContact O-N 3.48Å |
| 10 | G | 52.7 | Low | 51.3 | Low | 51 Ų | 51 | 131.1 Ų | 131.1 | 53% | 0.526 | 71% | 0.712 | S | S | . | * | H | α-helix | trans | -68.1 | -37.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | C14 | G10-C14 WeakPolarHBondContact O-CB 3.29Å; G10-C14 PolarHBondContact O-N 3.24Å; G10-C14 VanDerWaalsContact O-N 3.08Å |
| 11 | M | 54.2 | Low | 51.3 | Low | 146 Ų | 146 | 132.3 Ų | 132.3 | 72% | 0.719 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -69.3 | -36.7 | 178.8 | -75.5 | 177 | 95.5 | 0 | 0 | 112.6 | C14 L15 | M11-C14 PolarHBondContact O-N 2.87Å; M11-L15 WeakPolarHBondContact O-CG 3.35Å; M11-L15 PolarHBondContact O-N 3.46Å; M11-L15 VanDerWaalsContact O-N 3.11Å |
| 12 | L | 55.7 | Low | 51.8 | Low | 101 Ų | 101 | 126.4 Ų | 126.4 | 53% | 0.529 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -70.5 | -39.4 | 177.1 | -68.5 | 173.5 | 0 | 0 | 0 | 111.8 | C14 L15 C16 | L12-C14 VanDerWaalsContact C-N 3.35Å; L12-C14 PolarHBondContact O-N 2.93Å; L12-L15 PolarHBondContact O-N 3.27Å; L12-C16 PolarHBondContact O-N 3.49Å; L12-C16 PolarHBondContact O-SG 3.36Å; L12-C16 VanDerWaalsContact O-SG 3.35Å |
| 13 | A | 57.5 | Low | 52.5 | Low | 59 Ų | 59 | 123.7 Ų | 123.7 | 49% | 0.488 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -65.1 | -38.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | W9 C16 T17 | W9-A13 PolarHBondContact O-N 3.48Å; A13-C16 PolarHBondContact O-N 3.49Å; A13-T17 PolarHBondContact O-N 2.86Å; A13-T17 PolarHBondContact O-OG1 3.26Å |
| 14 | C | 54.3 | Low | 53.1 | Low | 82 Ų | 82 | 119.8 Ų | 119.8 | 55% | 0.554 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -70.3 | -34 | 178.7 | -142.3 | 0 | 0 | 0 | 0 | 112.6 | G10 M11 L12 T17 V18 | G10-C14 WeakPolarHBondContact O-CB 3.29Å; G10-C14 PolarHBondContact O-N 3.24Å; G10-C14 VanDerWaalsContact O-N 3.08Å; M11-C14 PolarHBondContact O-N 2.87Å; L12-C14 VanDerWaalsContact C-N 3.35Å; L12-C14 PolarHBondContact O-N 2.93Å; C14-T17 PolarHBondContact O-OG1 3.32Å; C14-T17 VanDerWaalsContact O-OG1 3.08Å; C14-V18 WeakPolarHBondContact O-CG2 3.46Å; C14-V18 PolarHBondContact O-N 2.94Å |
| 15 | L | 55.4 | Low | 53.2 | Low | 123 Ų | 123 | 113.9 Ų | 113.9 | 64% | 0.644 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -67.9 | -36.6 | 174.2 | -81.1 | 162.2 | 0 | 0 | 0 | 112.4 | M11 L12 L19 | M11-L15 WeakPolarHBondContact O-CG 3.35Å; M11-L15 PolarHBondContact O-N 3.46Å; M11-L15 VanDerWaalsContact O-N 3.11Å; L12-L15 PolarHBondContact O-N 3.27Å; L15-L19 PolarHBondContact O-N 3.39Å |
| 16 | C | 57 | Low | 53 | Low | 74 Ų | 74 | 113.2 Ų | 113.2 | 50% | 0.5 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -70.3 | -34.4 | 178.3 | -69.1 | 0 | 0 | 0 | 0 | 113 | L12 A13 W20 | L12-C16 PolarHBondContact O-N 3.49Å; L12-C16 PolarHBondContact O-SG 3.36Å; L12-C16 VanDerWaalsContact O-SG 3.35Å; A13-C16 PolarHBondContact O-N 3.49Å; C16-W20 PolarHBondContact O-N 3.01Å |
| 17 | T | 54.1 | Low | 52.7 | Low | 72 Ų | 72 | 115.4 Ų | 115.4 | 44% | 0.442 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -75.2 | -35.3 | 179.1 | 53.6 | 0 | 0 | 0 | 0 | 112.5 | A13 C14 L19 W20 H21 | A13-T17 PolarHBondContact O-N 2.86Å; A13-T17 PolarHBondContact O-OG1 3.26Å; C14-T17 PolarHBondContact O-OG1 3.32Å; C14-T17 VanDerWaalsContact O-OG1 3.08Å; T17-L19 VanDerWaalsContact C-N 3.31Å; T17-L19 PolarHBondContact O-N 2.82Å; T17-W20 PolarHBondContact O-N 3.43Å; T17-H21 PolarHBondContact O-CD2 2.88Å; T17-H21 PolarHBondContact O-N 3.39Å |
| 18 | V | 54.9 | Low | 52.1 | Low | 96 Ų | 96 | 115.7 Ų | 115.7 | 58% | 0.582 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -64.1 | -36.3 | 174.2 | 173.8 | 0 | 0 | 0 | 0 | 111.6 | C14 W20 H21 L22 | C14-V18 WeakPolarHBondContact O-CG2 3.46Å; C14-V18 PolarHBondContact O-N 2.94Å; V18-W20 VanDerWaalsContact C-N 3.26Å; V18-W20 PolarHBondContact O-N 3.39Å; V18-H21 PolarHBondContact O-N 3.33Å; V18-L22 PolarHBondContact O-N 3.3Å |
| 19 | L | 54.4 | Low | 51.4 | Low | 136 Ų | 136 | 117.3 Ų | 117.3 | 71% | 0.712 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -66.7 | -29.5 | 177.7 | -155.9 | 75.8 | 0 | 0 | 0 | 112.5 | L15 T17 L22 | L15-L19 PolarHBondContact O-N 3.39Å; T17-L19 VanDerWaalsContact C-N 3.31Å; T17-L19 PolarHBondContact O-N 2.82Å; L19-L22 HydrophobicContact CD1-CD1 4.22Å |
| 20 | W | 53.2 | Low | 50.9 | Low | 218 Ų | 218 | 118.9 Ų | 118.9 | 83% | 0.826 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -81.5 | -20.6 | 179.4 | -116.6 | -60 | 0 | 0 | 0 | 114.2 | C16 T17 V18 | C16-W20 PolarHBondContact O-N 3.01Å; T17-W20 PolarHBondContact O-N 3.43Å; V18-W20 VanDerWaalsContact C-N 3.26Å; V18-W20 PolarHBondContact O-N 3.39Å |
| 21 | H | 50.3 | Low | 50.5 | Low | 157 Ų | 157 | 120.7 Ų | 120.7 | 73% | 0.727 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -101.5 | 7.6 | -179.6 | -67.8 | -58.3 | 0 | 0 | 0 | 113.9 | T17 V18 P23 | T17-H21 PolarHBondContact O-CD2 2.88Å; T17-H21 PolarHBondContact O-N 3.39Å; V18-H21 PolarHBondContact O-N 3.33Å; H21-P23 VanDerWaalsContact O-CD 3.32Å; H21-P23 WeakPolarHBondContact O-CD 3.4Å |
| 22 | L | 48.3 | Very low | 50.1 | Low | 116 Ų | 116 | 117 Ų | 117 | 61% | 0.607 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -62.7 | 119.5 | 163.5 | -85.9 | 153.6 | 0 | 0 | 0 | 107.8 | V18 L19 A24 | V18-L22 PolarHBondContact O-N 3.3Å; L19-L22 HydrophobicContact CD1-CD1 4.22Å; L22-A24 PolarHBondContact O-N 2.59Å |
| 23 | P | 48.4 | Very low | 50.1 | Low | 107 Ų | 107 | 118.3 Ų | 118.3 | 70% | 0.695 | 68% | 0.676 | S | S | * | * | trans | -56.1 | 120.5 | 170.2 | 22.2 | -29.6 | 0 | 0 | 0 | 106.8 | H21 V25 | H21-P23 VanDerWaalsContact O-CD 3.32Å; H21-P23 WeakPolarHBondContact O-CD 3.4Å; P23-V25 PolarHBondContact O-N 3.32Å | ||
| 24 | A | 53.1 | Low | 50.4 | Low | 94 Ų | 94 | 120.2 Ų | 120.2 | 78% | 0.777 | 68% | 0.684 | S | S | * | * | trans | -59.4 | 97 | 170.8 | 0 | 0 | 0 | 0 | 0 | 106.4 | L22 P26 | L22-A24 PolarHBondContact O-N 2.59Å; A24-P26 WeakPolarHBondContact O-CD 3.4Å | ||
| 25 | V | 44.6 | Very low | 51.3 | Low | 128 Ų | 128 | 117.8 Ų | 117.8 | 78% | 0.776 | 67% | 0.672 | S | S | * | * | trans | -57.7 | 113.4 | 172.1 | 178 | 0 | 0 | 0 | 0 | 104.7 | P23 A27 | P23-V25 PolarHBondContact O-N 3.32Å; V25-A27 PolarHBondContact O-N 3.32Å; V25-A27 VanDerWaalsContact O-N 3.15Å | ||
| 26 | P | 44 | Very low | 52.7 | Low | 95 Ų | 95 | 113.2 Ų | 113.2 | 62% | 0.617 | 65% | 0.65 | S | S | * | * | trans | -56.8 | 128.9 | 171.1 | -16.2 | 29.6 | 0 | 0 | 0 | 105.4 | A24 L28 | A24-P26 WeakPolarHBondContact O-CD 3.4Å; P26-L28 PolarHBondContact O-N 3.02Å | ||
| 27 | A | 48 | Very low | 54.2 | Low | 106 Ų | 106 | 111.1 Ų | 111.1 | 88% | 0.876 | 64% | 0.64 | S | S | * | * | trans | -66.1 | 68.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | V25 N29 | V25-A27 PolarHBondContact O-N 3.32Å; V25-A27 VanDerWaalsContact O-N 3.15Å; A27-N29 PolarHBondContact O-N 2.98Å; A27-N29 VanDerWaalsContact O-N 3.14Å | ||
| 28 | L | 43.3 | Very low | 55.9 | Low | 159 Ų | 159 | 111.2 Ų | 111.2 | 83% | 0.832 | 64% | 0.642 | S | S | * | * | trans | -84.6 | 65 | 167.4 | -108.9 | 153 | 0 | 0 | 0 | 106.4 | P26 | P26-L28 PolarHBondContact O-N 3.02Š| ||
| 29 | N | 41.7 | Very low | 57.7 | Low | 121 Ų | 121 | 108.5 Ų | 108.5 | 65% | 0.647 | 63% | 0.628 | S | S | * | * | trans | -146.3 | 80.3 | 150.8 | -132 | 3.6 | 0 | 0 | 0 | 109.8 | A27 T31 | A27-N29 PolarHBondContact O-N 2.98Å; A27-N29 VanDerWaalsContact O-N 3.14Å; N29-T31 VanDerWaalsContact CG-CG2 3.47Å; N29-T31 VanDerWaalsContact ND2-CG2 3.33Å; N29-T31 WeakPolarHBondContact ND2-CG2 3.49Å; N29-T31 PolarHBondContact O-N 2.74Å; N29-T31 VanDerWaalsContact OD1-CG2 3.28Å; N29-T31 WeakPolarHBondContact OD1-CG2 3.49Å | ||
| 30 | R | 43.1 | Very low | 59.7 | Low | 256 Ų | 256 | 102 Ų | 102 | 97% | 0.966 | 59% | 0.594 | S | S | * | * | trans | -70.6 | 57.2 | 146.2 | -151.6 | -179 | -160 | 140.5 | 0.9 | 107.3 | G32 | R30-G32 PolarHBondContact O-N 2.93Š| ||
| 31 | T | 46 | Very low | 61.7 | Low | 89 Ų | 89 | 94.5 Ų | 94.5 | 55% | 0.546 | 57% | 0.568 | S | S | . | * | trans | -62.2 | 118.7 | 158.4 | 27 | 0 | 0 | 0 | 0 | 104.4 | N29 D33 | N29-T31 VanDerWaalsContact CG-CG2 3.47Å; N29-T31 VanDerWaalsContact ND2-CG2 3.33Å; N29-T31 WeakPolarHBondContact ND2-CG2 3.49Å; N29-T31 PolarHBondContact O-N 2.74Å; N29-T31 VanDerWaalsContact OD1-CG2 3.28Å; N29-T31 WeakPolarHBondContact OD1-CG2 3.49Å; T31-D33 PolarHBondContact O-N 3.25Å | ||
| 32 | G | 45.2 | Very low | 63.8 | Low | 67 Ų | 67 | 93.6 Ų | 93.6 | 69% | 0.691 | 56% | 0.562 | S | S | * | * | trans | -47.9 | 112.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | R30 P34 | R30-G32 PolarHBondContact O-N 2.93Å; G32-P34 VanDerWaalsContact O-CD 3.26Å; G32-P34 WeakPolarHBondContact O-CD 3.22Å | ||
| 33 | D | 54.7 | Low | 66.1 | Low | 130 Ų | 130 | 88.1 Ų | 88.1 | 70% | 0.695 | 53% | 0.533 | S | S | * | . | trans | -52.7 | 118.1 | 176.4 | -178 | 8.9 | 0 | 0 | 0 | 105 | T31 G35 | T31-D33 PolarHBondContact O-N 3.25Å; D33-G35 PolarHBondContact O-N 2.71Å | ||
| 34 | P | 64 | Low | 68.5 | Low | 99 Ų | 99 | 85.4 Ų | 85.4 | 64% | 0.643 | 51% | 0.509 | S | S | * | . | trans | -66 | 17.4 | -172.9 | 25.7 | -34.3 | 0 | 0 | 0 | 113.2 | G32 P38 | G32-P34 VanDerWaalsContact O-CD 3.26Å; G32-P34 WeakPolarHBondContact O-CD 3.22Å; P34-P38 HydrophobicContact CB-CG 3.99Å; P34-P38 HydrophobicContact CG-CG 4.24Å; P34-P38 WeakPolarHBondContact O-CD 3.48Å | ||
| 35 | G | 73.3 | Confident | 70.6 | Confident | 30 Ų | 30 | 84.7 Ų | 84.7 | 31% | 0.309 | 49% | 0.492 | S | S | . | . | trans | 68.5 | -179.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111 | D33 G37 P38 | D33-G35 PolarHBondContact O-N 2.71Å; G35-G37 PolarHBondContact O-N 2.97Å; G35-G37 VanDerWaalsContact O-N 3.11Å; G35-P38 WeakPolarHBondContact O-CD 3.34Å | ||
| 36 | P | 86.1 | Confident | 73.2 | Confident | 27 Ų | 27 | 80.3 Ų | 80.3 | 18% | 0.175 | 46% | 0.464 | C | S | . | . | S | Bend | trans | -67.8 | -11.1 | 177.7 | 30 | -37.3 | 0 | 0 | 0 | 112.9 | S39 I40 A153 L154 M209 | P36-S39 WeakPolarHBondContact O-CB 3.48Å; P36-S39 PolarHBondContact O-N 3.31Å; P36-I40 HydrophobicContact CB-CD1 3.83Å; P36-I40 HydrophobicContact CB-CG1 4.42Å; P36-I40 HydrophobicContact CG-CD1 4.22Å; P36-I40 WeakPolarHBondContact O-CD1 3.28Å; P36-I40 VanDerWaalsContact O-CG1 3.26Å; P36-I40 WeakPolarHBondContact O-CG1 3.29Å; P36-I40 PolarHBondContact O-N 3.22Å; P36-A153 HydrophobicContact CB-CB 4.08Å; P36-L154 HydrophobicContact CB-CD2 3.82Å; P36-L154 HydrophobicContact CB-CG 4.23Å; P36-L154 HydrophobicContact CG-CD2 3.64Å; P36-M209 HydrophobicContact CG-CG 4.42Å; P36-M209 HydrophobicContact CG-SD 4.09Å |
| 37 | G | 87.8 | Confident | 75.8 | Confident | 30 Ų | 30 | 75.8 Ų | 75.8 | 31% | 0.309 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -52.7 | -56.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115 | G35 S39 I40 Q41 | G35-G37 PolarHBondContact O-N 2.97Å; G35-G37 VanDerWaalsContact O-N 3.11Å; G37-S39 VanDerWaalsContact C-N 3.3Å; G37-S39 PolarHBondContact O-N 3.3Å; G37-I40 PolarHBondContact O-N 3.45Å; G37-Q41 PolarHBondContact O-N 3.36Å |
| 38 | P | 89.6 | Confident | 78.1 | Confident | 74 Ų | 74 | 74.2 Ų | 74.2 | 48% | 0.481 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.9 | -37.5 | 177.8 | -24.6 | 34.8 | 0 | 0 | 0 | 113.2 | P34 G35 Q41 K42 | P34-P38 HydrophobicContact CB-CG 3.99Å; P34-P38 HydrophobicContact CG-CG 4.24Å; P34-P38 WeakPolarHBondContact O-CD 3.48Å; G35-P38 WeakPolarHBondContact O-CD 3.34Å; P38-Q41 PolarHBondContact O-N 3.28Å; P38-K42 WeakPolarHBondContact O-CB 3.31Å; P38-K42 PolarHBondContact O-N 3.25Å |
| 39 | S | 92.6 | Very high | 80.7 | Confident | 39 Ų | 39 | 71.7 Ų | 71.7 | 27% | 0.273 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.5 | -42.1 | 177.2 | -172 | 0 | 0 | 0 | 0 | 111.6 | P36 G37 K42 T43 V150 | P36-S39 WeakPolarHBondContact O-CB 3.48Å; P36-S39 PolarHBondContact O-N 3.31Å; G37-S39 VanDerWaalsContact C-N 3.3Å; G37-S39 PolarHBondContact O-N 3.3Å; S39-K42 PolarHBondContact O-N 2.97Å; S39-T43 WeakPolarHBondContact O-CB 3.38Å; S39-T43 PolarHBondContact O-N 2.81Å; S39-T43 PolarHBondContact O-OG1 3.4Å; S39-V150 WeakPolarHBondContact OG-CG2 3.39Å |
| 40 | I | 95.6 | Very high | 83.4 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 175.7 | -65.6 | 158.5 | 0 | 0 | 0 | 110.8 | P36 G37 T43 Y44 V150 L205 K206 M209 | P36-I40 HydrophobicContact CB-CD1 3.83Å; P36-I40 HydrophobicContact CB-CG1 4.42Å; P36-I40 HydrophobicContact CG-CD1 4.22Å; P36-I40 WeakPolarHBondContact O-CD1 3.28Å; P36-I40 VanDerWaalsContact O-CG1 3.26Å; P36-I40 WeakPolarHBondContact O-CG1 3.29Å; P36-I40 PolarHBondContact O-N 3.22Å; G37-I40 PolarHBondContact O-N 3.45Å; I40-T43 PolarHBondContact O-N 3.14Å; I40-Y44 WeakPolarHBondContact O-CB 3.44Å; I40-Y44 PolarHBondContact O-N 2.91Å; I40-V150 HydrophobicContact CG1-CG1 3.87Å; I40-V150 HydrophobicContact CG1-CG2 4.09Å; I40-L205 HydrophobicContact CD1-CD2 3.97Å; I40-L205 HydrophobicContact CD1-CG 3.84Å; I40-L205 HydrophobicContact CG1-CD2 3.93Å; I40-L205 HydrophobicContact CG1-CG 4.27Å; I40-L205 HydrophobicContact CG2-CB 4.41Å; I40-L205 HydrophobicContact CG2-CD2 4.36Å; I40-L205 HydrophobicContact CG2-CG 4.35Å; I40-K206 HydrophobicContact CG2-CB 4.03Å; I40-M209 HydrophobicContact CD1-CB 4.25Å; I40-M209 HydrophobicContact CD1-CG 3.67Å |
| 41 | Q | 95.1 | Very high | 86 | Confident | 60 Ų | 60 | 55.8 Ų | 55.8 | 28% | 0.28 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.5 | -47.5 | 178.6 | -178.7 | 56.2 | 53.2 | 0 | 0 | 111.2 | G37 P38 T43 Y44 D45 | G37-Q41 PolarHBondContact O-N 3.36Å; P38-Q41 PolarHBondContact O-N 3.28Å; Q41-T43 VanDerWaalsContact C-N 3.3Å; Q41-T43 PolarHBondContact O-N 3.14Å; Q41-Y44 WeakPolarHBondContact O-CB 3.41Å; Q41-Y44 PolarHBondContact O-N 3.43Å; Q41-D45 PolarHBondContact NE2-OD1 3.44Å; Q41-D45 PolarHBondContact NE2-OD2 3.2Å; Q41-D45 PolarHBondContact O-N 2.94Å |
| 42 | K | 95.2 | Very high | 88.5 | Confident | 139 Ų | 139 | 57.2 Ų | 57.2 | 60% | 0.604 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -57 | -43.3 | 174.5 | -179.1 | -178.8 | 175.7 | -177.4 | 0 | 112.2 | P38 S39 D45 L46 | P38-K42 WeakPolarHBondContact O-CB 3.31Å; P38-K42 PolarHBondContact O-N 3.25Å; S39-K42 PolarHBondContact O-N 2.97Å; K42-D45 PolarHBondContact O-N 3.46Å; K42-L46 WeakPolarHBondContact O-CB 3.3Å; K42-L46 PolarHBondContact O-N 3.17Å |
| 43 | T | 97.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 178.9 | -54.6 | 0 | 0 | 0 | 0 | 111.4 | S39 I40 Q41 T47 L143 S146 I147 V150 F202 | S39-T43 WeakPolarHBondContact O-CB 3.38Å; S39-T43 PolarHBondContact O-N 2.81Å; S39-T43 PolarHBondContact O-OG1 3.4Å; I40-T43 PolarHBondContact O-N 3.14Å; Q41-T43 VanDerWaalsContact C-N 3.3Å; Q41-T43 PolarHBondContact O-N 3.14Å; T43-T47 PolarHBondContact O-N 3.09Å; T43-T47 PolarHBondContact O-OG1 3.24Å; T43-L143 HydrophobicContact CG2-CD1 3.78Å; T43-S146 WeakPolarHBondContact OG1-CB 3.45Å; T43-I147 HydrophobicContact CG2-CG1 3.85Å; T43-V150 WeakPolarHBondContact OG1-CG2 3.47Å; T43-F202 HydrophobicContact CG2-CD1 4.14Å; T43-F202 HydrophobicContact CG2-CD2 4.14Å; T43-F202 HydrophobicContact CG2-CE1 3.69Å; T43-F202 HydrophobicContact CG2-CE2 3.7Å; T43-F202 HydrophobicContact CG2-CG 4.38Å; T43-F202 HydrophobicContact CG2-CZ 3.5Å; T43-F202 VanDerWaalsContact CG2-CZ 3.5Å |
| 44 | Y | 97.9 | Very high | 93 | Very high | 50 Ų | 50 | 50.4 Ų | 50.4 | 20% | 0.196 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.5 | -49 | 173.8 | 171.4 | -93.7 | 0 | 0 | 0 | 111.9 | I40 Q41 L46 T47 R48 A199 F202 N203 | I40-Y44 WeakPolarHBondContact O-CB 3.44Å; I40-Y44 PolarHBondContact O-N 2.91Å; Q41-Y44 WeakPolarHBondContact O-CB 3.41Å; Q41-Y44 PolarHBondContact O-N 3.43Å; Y44-L46 VanDerWaalsContact C-N 3.32Å; Y44-L46 PolarHBondContact O-N 3.09Å; Y44-T47 WeakPolarHBondContact O-CB 3.34Å; Y44-T47 PolarHBondContact O-N 3.38Å; Y44-T47 VanDerWaalsContact O-N 3.13Å; Y44-R48 HydrophobicContact CD1-CG 4.4Å; Y44-R48 HydrophobicContact CE1-CG 3.9Å; Y44-R48 HydrophobicContact CE2-CG 4.16Å; Y44-R48 PolarHBondContact O-N 3.18Å; Y44-A199 HydrophobicContact CE2-CB 4.29Å; Y44-A199 WeakPolarHBondContact CE2-O 3.48Å; Y44-F202 HydrophobicContact CD2-CB 4.15Å; Y44-N203 HydrophobicContact CD2-CB 4.32Å; Y44-N203 HydrophobicContact CE2-CB 4.02Å |
| 45 | D | 97.8 | Very high | 94.5 | Very high | 79 Ų | 79 | 55.5 Ų | 55.5 | 42% | 0.422 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.5 | -41.2 | -178.8 | -67.2 | -31.7 | 0 | 0 | 0 | 111.5 | Q41 K42 T47 R48 Y49 | Q41-D45 PolarHBondContact NE2-OD1 3.44Å; Q41-D45 PolarHBondContact NE2-OD2 3.2Å; Q41-D45 PolarHBondContact O-N 2.94Å; K42-D45 PolarHBondContact O-N 3.46Å; D45-T47 VanDerWaalsContact C-N 3.33Å; D45-T47 PolarHBondContact O-N 3.3Å; D45-R48 PolarHBondContact O-N 3.4Å; D45-Y49 WeakPolarHBondContact O-CB 3.49Å; D45-Y49 PolarHBondContact O-N 3.09Å |
| 46 | L | 98.1 | Very high | 95.5 | Very high | 36 Ų | 36 | 58 Ų | 58 | 19% | 0.188 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.8 | -36.7 | 175.2 | -176 | 54.6 | 0 | 0 | 0 | 112.3 | K42 Y44 Y49 L50 L143 | K42-L46 WeakPolarHBondContact O-CB 3.3Å; K42-L46 PolarHBondContact O-N 3.17Å; Y44-L46 VanDerWaalsContact C-N 3.32Å; Y44-L46 PolarHBondContact O-N 3.09Å; L46-Y49 HydrophobicContact CD1-CD1 3.99Å; L46-Y49 PolarHBondContact O-N 2.91Å; L46-L50 HydrophobicContact CD1-CD1 4.48Å; L46-L50 HydrophobicContact CG-CD1 4.32Å; L46-L50 WeakPolarHBondContact O-CB 3.04Å; L46-L50 WeakPolarHBondContact O-CG 3.47Å; L46-L50 PolarHBondContact O-N 3.32Å; L46-L143 HydrophobicContact CD2-CB 4.01Å; L46-L143 HydrophobicContact CG-CB 4.2Å; L46-L143 HydrophobicContact CG-CD1 4.42Å |
| 47 | T | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.5 | -45.6 | 173.6 | -55.7 | 0 | 0 | 0 | 0 | 111 | T43 Y44 D45 L50 E51 L143 L195 A199 F202 | T43-T47 PolarHBondContact O-N 3.09Å; T43-T47 PolarHBondContact O-OG1 3.24Å; Y44-T47 WeakPolarHBondContact O-CB 3.34Å; Y44-T47 PolarHBondContact O-N 3.38Å; Y44-T47 VanDerWaalsContact O-N 3.13Å; D45-T47 VanDerWaalsContact C-N 3.33Å; D45-T47 PolarHBondContact O-N 3.3Å; T47-L50 PolarHBondContact O-N 3.16Å; T47-E51 PolarHBondContact O-N 2.89Å; T47-L143 WeakPolarHBondContact OG1-CD1 3.34Å; T47-L195 HydrophobicContact CG2-CD2 4.09Å; T47-L195 VanDerWaalsContact CG2-O 3.24Å; T47-L195 WeakPolarHBondContact CG2-O 3.41Å; T47-A199 HydrophobicContact CG2-CB 4.06Å; T47-F202 WeakPolarHBondContact OG1-CE2 3.37Å |
| 48 | R | 98.1 | Very high | 96.3 | Very high | 74 Ų | 74 | 56.6 Ų | 56.6 | 28% | 0.279 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.7 | -39.9 | 177.6 | -67 | -62.5 | -60.6 | 164.9 | 2.1 | 112.3 | Y44 D45 E51 H52 | Y44-R48 HydrophobicContact CD1-CG 4.4Å; Y44-R48 HydrophobicContact CE1-CG 3.9Å; Y44-R48 HydrophobicContact CE2-CG 4.16Å; Y44-R48 PolarHBondContact O-N 3.18Å; D45-R48 PolarHBondContact O-N 3.4Å; R48-E51 IonicContact CZ-OE1 3.58Å; R48-E51 IonicContact CZ-OE2 3.58Å; R48-E51 IonicContact NH1-OE1 2.81Å; R48-E51 PolarHBondContact NH1-OE1 3Å; R48-E51 IonicContact NH1-OE2 2.64Å; R48-E51 PolarHBondContact NH1-OE2 3.44Å; R48-E51 IonicContact NH2-OE1 3.74Å; R48-E51 WeakPolarHBondContact O-CB 3.32Å; R48-E51 PolarHBondContact O-N 3Å; R48-H52 PolarHBondContact O-CD2 2.97Å; R48-H52 PolarHBondContact O-N 3.04Å |
| 49 | Y | 97.8 | Very high | 96.5 | Very high | 105 Ų | 105 | 54.6 Ų | 54.6 | 41% | 0.412 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -58.2 | -47.8 | 173 | 172 | -100.8 | 0 | 0 | 0 | 111.5 | D45 L46 E51 H52 Q53 H135 | D45-Y49 WeakPolarHBondContact O-CB 3.49Å; D45-Y49 PolarHBondContact O-N 3.09Å; L46-Y49 HydrophobicContact CD1-CD1 3.99Å; L46-Y49 PolarHBondContact O-N 2.91Å; Y49-E51 VanDerWaalsContact C-N 3.34Å; Y49-E51 PolarHBondContact O-N 2.99Å; Y49-H52 PolarHBondContact O-N 3.12Å; Y49-Q53 HydrophobicContact CD1-CG 4.15Å; Y49-Q53 HydrophobicContact CD2-CG 4.41Å; Y49-Q53 HydrophobicContact CE1-CG 3.7Å; Y49-Q53 VanDerWaalsContact CE1-OE1 3.24Å; Y49-Q53 HydrophobicContact CE2-CG 3.99Å; Y49-Q53 HydrophobicContact CG-CG 4.5Å; Y49-Q53 WeakPolarHBondContact O-CG 3.34Å; Y49-Q53 PolarHBondContact O-N 2.85Å; Y49-Q53 PolarHBondContact OH-NE2 2.64Å; Y49-Q53 PolarHBondContact OH-OE1 3.26Å; Y49-H135 PolarHBondContact OH-CE1 3.33Å; Y49-H135 VanDerWaalsContact OH-CE1 3.27Å |
| 50 | L | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.8 | -36.4 | 177.9 | -79.8 | 165.5 | 0 | 0 | 0 | 112.6 | L46 T47 H52 Q53 L54 F136 L140 L143 L195 | L46-L50 HydrophobicContact CD1-CD1 4.48Å; L46-L50 HydrophobicContact CG-CD1 4.32Å; L46-L50 WeakPolarHBondContact O-CB 3.04Å; L46-L50 WeakPolarHBondContact O-CG 3.47Å; L46-L50 PolarHBondContact O-N 3.32Å; T47-L50 PolarHBondContact O-N 3.16Å; L50-H52 VanDerWaalsContact C-N 3.32Å; L50-H52 PolarHBondContact O-N 3.41Å; L50-Q53 PolarHBondContact O-N 3.48Å; L50-L54 VanDerWaalsContact O-CB 3.27Å; L50-L54 WeakPolarHBondContact O-CB 3.48Å; L50-L54 PolarHBondContact O-N 3.11Å; L50-F136 HydrophobicContact CB-CE2 4.44Å; L50-F136 HydrophobicContact CD2-CD2 3.99Å; L50-F136 HydrophobicContact CD2-CE1 4.34Å; L50-F136 HydrophobicContact CD2-CE2 3.6Å; L50-F136 HydrophobicContact CD2-CZ 3.8Å; L50-L140 HydrophobicContact CD1-CD1 4.05Å; L50-L143 HydrophobicContact CD1-CB 3.67Å; L50-L143 HydrophobicContact CD1-CD2 3.67Å; L50-L143 HydrophobicContact CD1-CG 4.23Å; L50-L195 HydrophobicContact CB-CD1 4.12Å; L50-L195 HydrophobicContact CB-CD2 3.63Å; L50-L195 HydrophobicContact CD1-CD2 4.28Å |
| 51 | E | 97.9 | Very high | 96.4 | Very high | 43 Ų | 43 | 55.6 Ų | 55.6 | 20% | 0.201 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.4 | -44.3 | 173.7 | -174 | -176.9 | 134.3 | 0 | 0 | 111.4 | T47 R48 Y49 R55 L195 | T47-E51 PolarHBondContact O-N 2.89Å; R48-E51 IonicContact CZ-OE1 3.58Å; R48-E51 IonicContact CZ-OE2 3.58Å; R48-E51 IonicContact NH1-OE1 2.81Å; R48-E51 PolarHBondContact NH1-OE1 3Å; R48-E51 IonicContact NH1-OE2 2.64Å; R48-E51 PolarHBondContact NH1-OE2 3.44Å; R48-E51 IonicContact NH2-OE1 3.74Å; R48-E51 WeakPolarHBondContact O-CB 3.32Å; R48-E51 PolarHBondContact O-N 3Å; Y49-E51 VanDerWaalsContact C-N 3.34Å; Y49-E51 PolarHBondContact O-N 2.99Å; E51-R55 PolarHBondContact O-N 3.42Å; E51-L195 HydrophobicContact CB-CB 4.39Å |
| 52 | H | 96.6 | Very high | 96.3 | Very high | 120 Ų | 120 | 54.1 Ų | 54.1 | 56% | 0.556 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -65.9 | -45.1 | 175.6 | -69.8 | -50 | 0 | 0 | 0 | 112.3 | R48 Y49 L50 L54 R55 | R48-H52 PolarHBondContact O-CD2 2.97Å; R48-H52 PolarHBondContact O-N 3.04Å; Y49-H52 PolarHBondContact O-N 3.12Å; L50-H52 VanDerWaalsContact C-N 3.32Å; L50-H52 PolarHBondContact O-N 3.41Å; H52-L54 VanDerWaalsContact C-N 3.34Å; H52-L54 PolarHBondContact O-N 2.69Å; H52-R55 PolarHBondContact O-N 2.66Å |
| 53 | Q | 96.9 | Very high | 96.3 | Very high | 49 Ų | 49 | 52.8 Ų | 52.8 | 23% | 0.229 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62 | -41.6 | 177.2 | -70.6 | -138.8 | -61.4 | 0 | 0 | 112.4 | Y49 L50 R55 S56 L57 H135 F136 | Y49-Q53 HydrophobicContact CD1-CG 4.15Å; Y49-Q53 HydrophobicContact CD2-CG 4.41Å; Y49-Q53 HydrophobicContact CE1-CG 3.7Å; Y49-Q53 VanDerWaalsContact CE1-OE1 3.24Å; Y49-Q53 HydrophobicContact CE2-CG 3.99Å; Y49-Q53 HydrophobicContact CG-CG 4.5Å; Y49-Q53 WeakPolarHBondContact O-CG 3.34Å; Y49-Q53 PolarHBondContact O-N 2.85Å; Y49-Q53 PolarHBondContact OH-NE2 2.64Å; Y49-Q53 PolarHBondContact OH-OE1 3.26Å; L50-Q53 PolarHBondContact O-N 3.48Å; Q53-R55 VanDerWaalsContact C-N 3.3Å; Q53-R55 PolarHBondContact O-N 2.93Å; Q53-S56 PolarHBondContact O-N 3.11Å; Q53-L57 PolarHBondContact O-N 2.91Å; Q53-H135 PolarHBondContact NE2-CE1 2.97Å; Q53-H135 PolarHBondContact NE2-ND1 2.81Å; Q53-H135 PolarHBondContact OE1-CE1 2.98Å; Q53-H135 PolarHBondContact OE1-ND1 3.38Å; Q53-H135 VanDerWaalsContact OE1-ND1 3.08Å; Q53-F136 HydrophobicContact CB-CD2 4.01Å; Q53-F136 HydrophobicContact CB-CE2 4.19Å |
| 54 | L | 97.7 | Very high | 96 | Very high | 5 Ų | 5 | 57.9 Ų | 57.9 | 3% | 0.026 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.8 | -39 | 180 | -179.2 | 60 | 0 | 0 | 0 | 111.3 | L50 H52 S56 L57 A58 F136 L188 L191 Q192 L195 | L50-L54 VanDerWaalsContact O-CB 3.27Å; L50-L54 WeakPolarHBondContact O-CB 3.48Å; L50-L54 PolarHBondContact O-N 3.11Å; H52-L54 VanDerWaalsContact C-N 3.34Å; H52-L54 PolarHBondContact O-N 2.69Å; L54-S56 VanDerWaalsContact C-N 3.27Å; L54-S56 PolarHBondContact O-N 2.82Å; L54-L57 HydrophobicContact CD1-CD2 4.38Å; L54-L57 PolarHBondContact O-N 2.84Å; L54-A58 HydrophobicContact CD1-CB 4.49Å; L54-A58 WeakPolarHBondContact O-CB 3.28Å; L54-A58 PolarHBondContact O-N 3.15Å; L54-F136 HydrophobicContact CB-CE2 3.71Å; L54-F136 HydrophobicContact CB-CZ 4.06Å; L54-F136 HydrophobicContact CD1-CE2 4.3Å; L54-F136 HydrophobicContact CD1-CZ 4.18Å; L54-L188 HydrophobicContact CD1-CD2 4.01Å; L54-L191 HydrophobicContact CD1-CD2 3.67Å; L54-L191 HydrophobicContact CD1-CG 4.47Å; L54-L191 HydrophobicContact CD2-CB 4.15Å; L54-L191 HydrophobicContact CD2-CD2 3.94Å; L54-L191 HydrophobicContact CD2-CG 3.81Å; L54-L191 HydrophobicContact CG-CD2 4.43Å; L54-Q192 VanDerWaalsContact CD2-CA 3.46Å; L54-Q192 HydrophobicContact CD2-CB 3.76Å; L54-L195 HydrophobicContact CB-CD1 4.18Å; L54-L195 HydrophobicContact CD2-CD1 3.74Å |
| 55 | R | 95.5 | Very high | 95.6 | Very high | 205 Ų | 205 | 56.1 Ų | 56.1 | 77% | 0.774 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -57.5 | -42.8 | 177.8 | -173.8 | 177.2 | 180 | 174.8 | -0.1 | 111.7 | E51 H52 Q53 G59 | E51-R55 PolarHBondContact O-N 3.42Å; H52-R55 PolarHBondContact O-N 2.66Å; Q53-R55 VanDerWaalsContact C-N 3.3Å; Q53-R55 PolarHBondContact O-N 2.93Å; R55-G59 PolarHBondContact O-N 2.98Å |
| 56 | S | 94.4 | Very high | 95.4 | Very high | 84 Ų | 84 | 53 Ų | 53 | 59% | 0.587 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -68 | -49.3 | 175.9 | -169.8 | 0 | 0 | 0 | 0 | 111.4 | Q53 L54 A58 G59 T60 | Q53-S56 PolarHBondContact O-N 3.11Å; L54-S56 VanDerWaalsContact C-N 3.27Å; L54-S56 PolarHBondContact O-N 2.82Å; S56-A58 PolarHBondContact O-N 3.38Å; S56-G59 PolarHBondContact O-N 3.16Å; S56-T60 PolarHBondContact O-N 3.05Å; S56-T60 PolarHBondContact O-OG1 3.38Å |
| 57 | L | 95.8 | Very high | 95.1 | Very high | 7 Ų | 7 | 55.8 Ų | 55.8 | 4% | 0.037 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.5 | -46.4 | -179.1 | 171.5 | 62.9 | 0 | 0 | 0 | 112 | Q53 L54 G59 T60 Y61 L129 L133 F136 | Q53-L57 PolarHBondContact O-N 2.91Å; L54-L57 HydrophobicContact CD1-CD2 4.38Å; L54-L57 PolarHBondContact O-N 2.84Å; L57-G59 VanDerWaalsContact C-N 3.34Å; L57-G59 PolarHBondContact O-N 2.89Å; L57-T60 PolarHBondContact O-N 2.8Å; L57-Y61 VanDerWaalsContact O-CB 3.28Å; L57-Y61 WeakPolarHBondContact O-CB 3.45Å; L57-Y61 PolarHBondContact O-N 3.16Å; L57-L129 HydrophobicContact CD1-CD1 4.2Å; L57-L133 HydrophobicContact CD1-CD2 4.01Å; L57-L133 HydrophobicContact CD1-CG 4.01Å; L57-L133 HydrophobicContact CD2-CD2 3.98Å; L57-L133 HydrophobicContact CG-CD2 4.47Å; L57-F136 HydrophobicContact CD2-CB 3.8Å; L57-F136 HydrophobicContact CD2-CD1 4.21Å; L57-F136 HydrophobicContact CD2-CD2 4Å; L57-F136 HydrophobicContact CD2-CG 3.71Å |
| 58 | A | 94.8 | Very high | 94.9 | Very high | 19 Ų | 19 | 57.5 Ų | 57.5 | 16% | 0.157 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L54 S56 Y61 L62 L188 | L54-A58 HydrophobicContact CD1-CB 4.49Å; L54-A58 WeakPolarHBondContact O-CB 3.28Å; L54-A58 PolarHBondContact O-N 3.15Å; S56-A58 PolarHBondContact O-N 3.38Å; A58-Y61 PolarHBondContact O-N 3.35Å; A58-L62 WeakPolarHBondContact O-CB 3.45Å; A58-L62 WeakPolarHBondContact O-CG 3.27Å; A58-L62 PolarHBondContact O-N 3.11Å; A58-L188 HydrophobicContact CB-CD1 4.37Å |
| 59 | G | 93.8 | Very high | 94.7 | Very high | 32 Ų | 32 | 54.2 Ų | 54.2 | 33% | 0.33 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.2 | -50.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R55 S56 L57 Y61 N63 | R55-G59 PolarHBondContact O-N 2.98Å; S56-G59 PolarHBondContact O-N 3.16Å; L57-G59 VanDerWaalsContact C-N 3.34Å; L57-G59 PolarHBondContact O-N 2.89Å; G59-Y61 PolarHBondContact O-N 3.36Å; G59-N63 WeakPolarHBondContact O-CB 3.17Å; G59-N63 VanDerWaalsContact O-CG 3.25Å; G59-N63 PolarHBondContact O-N 3.37Å; G59-N63 PolarHBondContact O-ND2 2.89Å; G59-N63 VanDerWaalsContact O-ND2 3.09Å |
| 60 | T | 93.6 | Very high | 94.4 | Very high | 48 Ų | 48 | 52.2 Ų | 52.2 | 29% | 0.294 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62 | -44 | 177.4 | -55.1 | 0 | 0 | 0 | 0 | 112.1 | S56 L57 Y64 L129 | S56-T60 PolarHBondContact O-N 3.05Å; S56-T60 PolarHBondContact O-OG1 3.38Å; L57-T60 PolarHBondContact O-N 2.8Å; T60-Y64 WeakPolarHBondContact O-CB 3.42Å; T60-Y64 PolarHBondContact O-N 2.83Å; T60-L129 HydrophobicContact CG2-CD1 4.27Å |
| 61 | Y | 93.4 | Very high | 94.3 | Very high | 12 Ų | 12 | 56.4 Ų | 56.4 | 5% | 0.047 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.8 | -46.8 | -177.8 | -169 | -80.7 | 0 | 0 | 0 | 111.7 | L57 A58 G59 N63 Y64 L65 L120 L129 L133 D184 L188 | L57-Y61 VanDerWaalsContact O-CB 3.28Å; L57-Y61 WeakPolarHBondContact O-CB 3.45Å; L57-Y61 PolarHBondContact O-N 3.16Å; A58-Y61 PolarHBondContact O-N 3.35Å; G59-Y61 PolarHBondContact O-N 3.36Å; Y61-N63 PolarHBondContact O-N 3.45Å; Y61-Y64 WeakPolarHBondContact O-CB 3.22Å; Y61-Y64 PolarHBondContact O-N 3.39Å; Y61-Y64 VanDerWaalsContact O-N 3.14Å; Y61-L65 HydrophobicContact CD1-CD1 4.17Å; Y61-L65 HydrophobicContact CD1-CD2 4.48Å; Y61-L65 HydrophobicContact CD1-CG 4.03Å; Y61-L65 HydrophobicContact CE1-CD1 3.75Å; Y61-L65 HydrophobicContact CE1-CD2 3.74Å; Y61-L65 HydrophobicContact CE1-CG 3.69Å; Y61-L65 PolarHBondContact O-N 3.02Å; Y61-L120 HydrophobicContact CD2-CD2 4.28Å; Y61-L120 HydrophobicContact CE2-CD1 3.8Å; Y61-L120 HydrophobicContact CE2-CD2 3.76Å; Y61-L120 HydrophobicContact CE2-CG 3.87Å; Y61-L120 WeakPolarHBondContact OH-CD1 3.26Å; Y61-L129 HydrophobicContact CD2-CD1 3.75Å; Y61-L129 HydrophobicContact CD2-CD2 3.62Å; Y61-L129 HydrophobicContact CD2-CG 3.98Å; Y61-L129 HydrophobicContact CE2-CD2 3.82Å; Y61-L129 HydrophobicContact CE2-CG 4.48Å; Y61-L129 HydrophobicContact CG-CD1 4.36Å; Y61-L133 HydrophobicContact CD2-CD1 4.38Å; Y61-L133 HydrophobicContact CE2-CD1 4.38Å; Y61-D184 HydrophobicContact CE1-CB 3.97Å; Y61-D184 PolarHBondContact OH-OD2 3.14Å; Y61-L188 HydrophobicContact CD1-CD1 3.62Å; Y61-L188 HydrophobicContact CE1-CD1 4.42Å; Y61-L188 HydrophobicContact CG-CD1 3.93Å |
| 62 | L | 93.4 | Very high | 93.8 | Very high | 30 Ų | 30 | 60.9 Ų | 60.9 | 16% | 0.157 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.5 | -39.7 | 178.9 | -66.5 | -179.9 | 0 | 0 | 0 | 111.8 | A58 Y64 L65 G66 F69 F185 | A58-L62 WeakPolarHBondContact O-CB 3.45Å; A58-L62 WeakPolarHBondContact O-CG 3.27Å; A58-L62 PolarHBondContact O-N 3.11Å; L62-Y64 VanDerWaalsContact C-N 3.27Å; L62-Y64 PolarHBondContact O-N 2.54Å; L62-L65 HydrophobicContact CD2-CD1 4.27Å; L62-L65 WeakPolarHBondContact O-CB 3.24Å; L62-L65 PolarHBondContact O-N 2.75Å; L62-L65 VanDerWaalsContact O-N 3.1Å; L62-G66 PolarHBondContact O-N 2.92Å; L62-G66 VanDerWaalsContact O-N 3.12Å; L62-F69 HydrophobicContact CD2-CB 4.42Å; L62-F185 HydrophobicContact CD2-CD2 3.58Å; L62-F185 HydrophobicContact CD2-CE2 4.2Å |
| 63 | N | 93.8 | Very high | 93.5 | Very high | 110 Ų | 110 | 61.4 Ų | 61.4 | 59% | 0.588 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -61.4 | -36.8 | 172.7 | -76.5 | -30.6 | 0 | 0 | 0 | 112.4 | G59 Y61 L65 G66 | G59-N63 WeakPolarHBondContact O-CB 3.17Å; G59-N63 VanDerWaalsContact O-CG 3.25Å; G59-N63 PolarHBondContact O-N 3.37Å; G59-N63 PolarHBondContact O-ND2 2.89Å; G59-N63 VanDerWaalsContact O-ND2 3.09Å; Y61-N63 PolarHBondContact O-N 3.45Å; N63-L65 VanDerWaalsContact C-N 3.34Å; N63-G66 PolarHBondContact O-N 3.14Å |
| 64 | Y | 91.4 | Very high | 93.3 | Very high | 108 Ų | 108 | 61 Ų | 61 | 42% | 0.424 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.2 | -36.7 | 173.4 | 164.8 | -100 | 0 | 0 | 0 | 112.2 | T60 Y61 L62 G66 A125 T126 L129 | T60-Y64 WeakPolarHBondContact O-CB 3.42Å; T60-Y64 PolarHBondContact O-N 2.83Å; Y61-Y64 WeakPolarHBondContact O-CB 3.22Å; Y61-Y64 PolarHBondContact O-N 3.39Å; Y61-Y64 VanDerWaalsContact O-N 3.14Å; L62-Y64 VanDerWaalsContact C-N 3.27Å; L62-Y64 PolarHBondContact O-N 2.54Å; Y64-G66 VanDerWaalsContact C-N 3.29Å; Y64-G66 PolarHBondContact O-N 3.24Å; Y64-A125 HydrophobicContact CE2-CB 3.88Å; Y64-A125 WeakPolarHBondContact OH-CB 3.49Å; Y64-T126 HydrophobicContact CD2-CG2 4.23Å; Y64-T126 HydrophobicContact CE2-CG2 4.23Å; Y64-L129 HydrophobicContact CD1-CD2 3.77Å; Y64-L129 HydrophobicContact CE1-CD2 4.3Å; Y64-L129 HydrophobicContact CG-CD2 4.08Å |
| 65 | L | 90.6 | Very high | 92.8 | Very high | 12 Ų | 12 | 67 Ų | 67 | 6% | 0.063 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.8 | -32.3 | 175.5 | -66.6 | -168.1 | 0 | 0 | 0 | 113 | Y61 L62 N63 F69 K181 | Y61-L65 HydrophobicContact CD1-CD1 4.17Å; Y61-L65 HydrophobicContact CD1-CD2 4.48Å; Y61-L65 HydrophobicContact CD1-CG 4.03Å; Y61-L65 HydrophobicContact CE1-CD1 3.75Å; Y61-L65 HydrophobicContact CE1-CD2 3.74Å; Y61-L65 HydrophobicContact CE1-CG 3.69Å; Y61-L65 PolarHBondContact O-N 3.02Å; L62-L65 HydrophobicContact CD2-CD1 4.27Å; L62-L65 WeakPolarHBondContact O-CB 3.24Å; L62-L65 PolarHBondContact O-N 2.75Å; L62-L65 VanDerWaalsContact O-N 3.1Å; N63-L65 VanDerWaalsContact C-N 3.34Å; L65-F69 HydrophobicContact CB-CB 3.67Å; L65-F69 HydrophobicContact CB-CD2 3.95Å; L65-F69 HydrophobicContact CB-CG 3.95Å; L65-F69 HydrophobicContact CD1-CB 3.8Å; L65-F69 HydrophobicContact CD1-CD1 3.9Å; L65-F69 HydrophobicContact CD1-CD2 4.22Å; L65-F69 HydrophobicContact CD1-CG 3.7Å; L65-F69 HydrophobicContact CG-CB 4.41Å; L65-K181 HydrophobicContact CD1-CB 4.14Å; L65-K181 HydrophobicContact CD1-CG 4.48Å; L65-K181 HydrophobicContact CD2-CB 4.3Å; L65-K181 HydrophobicContact CD2-CD 4Å; L65-K181 HydrophobicContact CD2-CG 3.73Å |
| 66 | G | 92.3 | Very high | 92.5 | Very high | 14 Ų | 14 | 57.7 Ų | 57.7 | 14% | 0.144 | 33% | 0.332 | C | S | . | . | trans | 72.1 | -173.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L62 N63 Y64 F69 N70 | L62-G66 PolarHBondContact O-N 2.92Å; L62-G66 VanDerWaalsContact O-N 3.12Å; N63-G66 PolarHBondContact O-N 3.14Å; Y64-G66 VanDerWaalsContact C-N 3.29Å; Y64-G66 PolarHBondContact O-N 3.24Å; G66-F69 WeakPolarHBondContact O-CA 3.48Å; G66-F69 WeakPolarHBondContact O-CB 3.38Å; G66-F69 PolarHBondContact O-N 3.49Å; G66-N70 PolarHBondContact O-N 3.39Å; G66-N70 PolarHBondContact O-OD1 3.14Å | ||
| 67 | P | 93.1 | Very high | 92.1 | Very high | 94 Ų | 94 | 58.1 Ų | 58.1 | 61% | 0.61 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 142.3 | 179.8 | -26.6 | 35.6 | 0 | 0 | 0 | 112.5 | N70 | P67-N70 VanDerWaalsContact CA-OD1 3.31Å; P67-N70 WeakPolarHBondContact CA-OD1 3.41Å; P67-N70 WeakPolarHBondContact CD-OD1 3.38Å |
| 68 | P | 93.9 | Very high | 91.3 | Very high | 36 Ų | 36 | 60.1 Ų | 60.1 | 23% | 0.234 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -85.1 | -1.2 | -0.1 | 36.1 | -37.6 | 0 | 0 | 0 | 114 | N70 E71 F74 F178 | P68-N70 VanDerWaalsContact C-N 3.29Å; P68-N70 PolarHBondContact O-N 3.19Å; P68-E71 WeakPolarHBondContact O-CB 3.36Å; P68-E71 PolarHBondContact O-N 3.33Å; P68-E71 VanDerWaalsContact O-N 3.08Å; P68-F74 HydrophobicContact CB-CD2 3.56Å; P68-F74 HydrophobicContact CB-CE2 3.74Å; P68-F74 HydrophobicContact CB-CG 3.96Å; P68-F74 HydrophobicContact CB-CZ 4.28Å; P68-F74 HydrophobicContact CG-CD2 3.81Å; P68-F74 HydrophobicContact CG-CE1 4.22Å; P68-F74 HydrophobicContact CG-CE2 3.42Å; P68-F74 VanDerWaalsContact CG-CE2 3.42Å; P68-F74 HydrophobicContact CG-CG 4.35Å; P68-F74 HydrophobicContact CG-CZ 3.63Å; P68-F74 WeakPolarHBondContact O-CB 3.47Å; P68-F74 WeakPolarHBondContact O-CD1 3.24Å; P68-F74 WeakPolarHBondContact O-CG 3.32Å; P68-F178 HydrophobicContact CG-CE2 4.37Å |
| 69 | F | 93.1 | Very high | 90 | Very high | 6 Ų | 6 | 63.5 Ų | 63.5 | 3% | 0.026 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -22.5 | -169.5 | -60.2 | -83.3 | 0 | 0 | 0 | 115.2 | L62 L65 G66 F74 F178 K181 M182 F185 | L62-F69 HydrophobicContact CD2-CB 4.42Å; L65-F69 HydrophobicContact CB-CB 3.67Å; L65-F69 HydrophobicContact CB-CD2 3.95Å; L65-F69 HydrophobicContact CB-CG 3.95Å; L65-F69 HydrophobicContact CD1-CB 3.8Å; L65-F69 HydrophobicContact CD1-CD1 3.9Å; L65-F69 HydrophobicContact CD1-CD2 4.22Å; L65-F69 HydrophobicContact CD1-CG 3.7Å; L65-F69 HydrophobicContact CG-CB 4.41Å; G66-F69 WeakPolarHBondContact O-CA 3.48Å; G66-F69 WeakPolarHBondContact O-CB 3.38Å; G66-F69 PolarHBondContact O-N 3.49Å; F69-F74 HydrophobicContact CD1-CD1 4.37Å; F69-F74 AromaticContact CD1-CE1 3.54Å; F69-F74 HydrophobicContact CD1-CE1 3.54Å; F69-F74 HydrophobicContact CD1-CZ 4.25Å; F69-F74 AromaticContact CE1-CE1 3.86Å; F69-F74 HydrophobicContact CE1-CE1 3.86Å; F69-F74 HydrophobicContact CE1-CZ 4.16Å; F69-F74 HydrophobicContact CG-CE1 4.18Å; F69-F178 AromaticContact CE2-CD2 3.92Å; F69-F178 HydrophobicContact CE2-CD2 3.92Å; F69-F178 AromaticContact CE2-CE2 3.76Å; F69-F178 HydrophobicContact CE2-CE2 3.76Å; F69-F178 AromaticContact CZ-CD2 3.78Å; F69-F178 HydrophobicContact CZ-CD2 3.78Å; F69-F178 AromaticContact CZ-CE2 3.54Å; F69-F178 HydrophobicContact CZ-CE2 3.54Å; F69-F178 HydrophobicContact CZ-CZ 4.12Å; F69-K181 HydrophobicContact CE1-CB 3.93Å; F69-K181 HydrophobicContact CE2-CB 3.83Å; F69-K181 HydrophobicContact CE2-CD 3.93Å; F69-K181 HydrophobicContact CZ-CB 3.49Å; F69-K181 VanDerWaalsContact CZ-CB 3.49Å; F69-K181 HydrophobicContact CZ-CD 4.41Å; F69-M182 HydrophobicContact CE1-CB 4.22Å; F69-F185 HydrophobicContact CD1-CB 4.15Å; F69-F185 HydrophobicContact CD1-CD2 4.14Å; F69-F185 HydrophobicContact CD1-CG 4.4Å; F69-F185 HydrophobicContact CE1-CB 4.48Å |
| 70 | N | 92.9 | Very high | 88.4 | Confident | 63 Ų | 63 | 64.4 Ų | 64.4 | 34% | 0.337 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 1.9 | 175.7 | 68.2 | -24.2 | 0 | 0 | 0 | 113.8 | G66 P67 P68 | G66-N70 PolarHBondContact O-N 3.39Å; G66-N70 PolarHBondContact O-OD1 3.14Å; P67-N70 VanDerWaalsContact CA-OD1 3.31Å; P67-N70 WeakPolarHBondContact CA-OD1 3.41Å; P67-N70 WeakPolarHBondContact CD-OD1 3.38Å; P68-N70 VanDerWaalsContact C-N 3.29Å; P68-N70 PolarHBondContact O-N 3.19Å |
| 71 | E | 94.7 | Very high | 86.4 | Confident | 87 Ų | 87 | 64 Ų | 64 | 41% | 0.407 | 37% | 0.365 | S | S | . | . | trans | -80.5 | 138 | 177.4 | -61.5 | 177.3 | 165.9 | 0 | 0 | 110.4 | P68 D73 F74 | P68-E71 WeakPolarHBondContact O-CB 3.36Å; P68-E71 PolarHBondContact O-N 3.33Å; P68-E71 VanDerWaalsContact O-N 3.08Å; E71-D73 VanDerWaalsContact C-N 3.31Å; E71-D73 PolarHBondContact O-N 3.42Å; E71-F74 HydrophobicContact CB-CB 4.16Å; E71-F74 PolarHBondContact O-N 2.63Å | ||
| 72 | P | 88.3 | Confident | 84.8 | Confident | 137 Ų | 137 | 71.9 Ų | 71.9 | 89% | 0.89 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -26.8 | -173.5 | 27.7 | -34.8 | 0 | 0 | 0 | 113.9 | ||
| 73 | D | 90.8 | Very high | 83.8 | Confident | 132 Ų | 132 | 74.1 Ų | 74.1 | 71% | 0.706 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -4.6 | -179.6 | 57.7 | -41.8 | 0 | 0 | 0 | 113.1 | E71 N75 | E71-D73 VanDerWaalsContact C-N 3.31Å; E71-D73 PolarHBondContact O-N 3.42Å; D73-N75 PolarHBondContact O-N 2.87Å; D73-N75 VanDerWaalsContact O-N 3.16Å |
| 74 | F | 92.1 | Very high | 83.3 | Confident | 40 Ų | 40 | 69.4 Ų | 69.4 | 18% | 0.175 | 39% | 0.393 | C | S | . | . | trans | -67.1 | 116.1 | 176.1 | -177.3 | -118.4 | 0 | 0 | 0 | 111.4 | P68 F69 E71 P76 F185 | P68-F74 HydrophobicContact CB-CD2 3.56Å; P68-F74 HydrophobicContact CB-CE2 3.74Å; P68-F74 HydrophobicContact CB-CG 3.96Å; P68-F74 HydrophobicContact CB-CZ 4.28Å; P68-F74 HydrophobicContact CG-CD2 3.81Å; P68-F74 HydrophobicContact CG-CE1 4.22Å; P68-F74 HydrophobicContact CG-CE2 3.42Å; P68-F74 VanDerWaalsContact CG-CE2 3.42Å; P68-F74 HydrophobicContact CG-CG 4.35Å; P68-F74 HydrophobicContact CG-CZ 3.63Å; P68-F74 WeakPolarHBondContact O-CB 3.47Å; P68-F74 WeakPolarHBondContact O-CD1 3.24Å; P68-F74 WeakPolarHBondContact O-CG 3.32Å; F69-F74 HydrophobicContact CD1-CD1 4.37Å; F69-F74 AromaticContact CD1-CE1 3.54Å; F69-F74 HydrophobicContact CD1-CE1 3.54Å; F69-F74 HydrophobicContact CD1-CZ 4.25Å; F69-F74 AromaticContact CE1-CE1 3.86Å; F69-F74 HydrophobicContact CE1-CE1 3.86Å; F69-F74 HydrophobicContact CE1-CZ 4.16Å; F69-F74 HydrophobicContact CG-CE1 4.18Å; E71-F74 HydrophobicContact CB-CB 4.16Å; E71-F74 PolarHBondContact O-N 2.63Å; F74-P76 HydrophobicContact CD1-CG 4.16Å; F74-P76 HydrophobicContact CE1-CB 3.99Å; F74-P76 VanDerWaalsContact CE1-CD 3.47Å; F74-P76 HydrophobicContact CE1-CG 3.47Å; F74-P76 VanDerWaalsContact CE1-CG 3.47Å; F74-P76 HydrophobicContact CE2-CB 3.98Å; F74-P76 HydrophobicContact CE2-CG 4.3Å; F74-P76 HydrophobicContact CZ-CB 3.5Å; F74-P76 HydrophobicContact CZ-CG 3.56Å; F74-F185 HydrophobicContact CD1-CD2 4.44Å; F74-F185 AromaticContact CD1-CE2 3.97Å; F74-F185 HydrophobicContact CD1-CE2 3.97Å; F74-F185 HydrophobicContact CD1-CZ 4.21Å; F74-F185 HydrophobicContact CE1-CD2 4.44Å; F74-F185 HydrophobicContact CE1-CE2 4.37Å | ||
| 75 | N | 87.4 | Confident | 83.1 | Confident | 131 Ų | 131 | 65.6 Ų | 65.6 | 70% | 0.701 | 38% | 0.381 | S | S | * | . | trans | -135.5 | 80.4 | 177.3 | -175.4 | 33.7 | 0 | 0 | 0 | 109.2 | D73 | D73-N75 PolarHBondContact O-N 2.87Å; D73-N75 VanDerWaalsContact O-N 3.16Å | ||
| 76 | P | 88.4 | Confident | 82.9 | Confident | 9 Ų | 9 | 71 Ų | 71 | 6% | 0.058 | 40% | 0.401 | C | S | . | . | trans | -67.6 | 151.2 | -177.5 | 27.9 | -33.1 | 0 | 0 | 0 | 110.6 | F74 M182 F185 W186 | F74-P76 HydrophobicContact CD1-CG 4.16Å; F74-P76 HydrophobicContact CE1-CB 3.99Å; F74-P76 VanDerWaalsContact CE1-CD 3.47Å; F74-P76 HydrophobicContact CE1-CG 3.47Å; F74-P76 VanDerWaalsContact CE1-CG 3.47Å; F74-P76 HydrophobicContact CE2-CB 3.98Å; F74-P76 HydrophobicContact CE2-CG 4.3Å; F74-P76 HydrophobicContact CZ-CB 3.5Å; F74-P76 HydrophobicContact CZ-CG 3.56Å; P76-M182 HydrophobicContact CB-CG 4.11Å; P76-M182 HydrophobicContact CB-SD 4.13Å; P76-M182 HydrophobicContact CG-CG 4.2Å; P76-F185 HydrophobicContact CG-CD1 3.9Å; P76-F185 HydrophobicContact CG-CE1 3.81Å; P76-F185 HydrophobicContact CG-CZ 4.45Å; P76-W186 VanDerWaalsContact O-CZ2 3.24Å; P76-W186 WeakPolarHBondContact O-CZ2 3.32Å | ||
| 77 | P | 85.4 | Confident | 82.7 | Confident | 93 Ų | 93 | 70.5 Ų | 70.5 | 60% | 0.604 | 40% | 0.395 | S | S | * | . | trans | -60.2 | 143.7 | 169.1 | 27.9 | -34.1 | 0 | 0 | 0 | 110 | L79 | P77-L79 HydrophobicContact CB-CD2 4.43Å; P77-L79 HydrophobicContact CG-CD2 4.37Å; P77-L79 PolarHBondContact O-N 3.47Å | ||
| 78 | R | 79.2 | Confident | 82.3 | Confident | 50 Ų | 50 | 70.8 Ų | 70.8 | 19% | 0.189 | 40% | 0.395 | C | S | . | . | trans | -80.6 | 101.8 | 172.2 | -169.3 | 173.2 | 175.6 | -175.1 | 1.1 | 109.4 | L84 W186 E190 | R78-L84 PolarHBondContact NH2-O 2.99Å; R78-W186 HydrophobicContact CB-CD2 4.14Å; R78-W186 HydrophobicContact CB-CH2 4.49Å; R78-W186 HydrophobicContact CB-CZ2 3.81Å; R78-W186 HydrophobicContact CG-CD2 4Å; R78-W186 HydrophobicContact CG-CG 4.06Å; R78-E190 IonicContact CZ-OE1 3.45Å; R78-E190 IonicContact NH1-OE1 2.66Å; R78-E190 PolarHBondContact NH1-OE1 2.97Å; R78-E190 IonicContact NH2-OE1 3.74Å | ||
| 79 | L | 68.6 | Low | 81.9 | Confident | 90 Ų | 90 | 71.8 Ų | 71.8 | 47% | 0.471 | 40% | 0.4 | S | S | . | . | trans | -80.6 | 145.8 | 169.7 | -50 | -176.4 | 0 | 0 | 0 | 108.7 | P77 L179 M182 | P77-L79 HydrophobicContact CB-CD2 4.43Å; P77-L79 HydrophobicContact CG-CD2 4.37Å; P77-L79 PolarHBondContact O-N 3.47Å; L79-L179 HydrophobicContact CD1-CD2 3.78Å; L79-M182 HydrophobicContact CB-CE 3.59Å; L79-M182 HydrophobicContact CD1-CE 3.51Å; L79-M182 HydrophobicContact CD1-SD 4.33Å; L79-M182 HydrophobicContact CG-CE 3.43Å; L79-M182 VanDerWaalsContact CG-CE 3.43Å; L79-M182 HydrophobicContact CG-SD 4.26Å | ||
| 80 | G | 60.2 | Low | 81.6 | Confident | 51 Ų | 51 | 76.1 Ų | 76.1 | 53% | 0.526 | 42% | 0.424 | S | S | . | . | trans | 73.1 | 49.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | E82 T83 | G80-E82 PolarHBondContact O-N 3.26Å; G80-T83 PolarHBondContact O-N 2.78Å | ||
| 81 | A | 51.6 | Low | 81.2 | Confident | 38 Ų | 38 | 78.3 Ų | 78.3 | 31% | 0.314 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44.5 | -17.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | R86 | A81-R86 PolarHBondContact O-NE 3.08Å; A81-R86 PolarHBondContact O-NH2 3.37Å; A81-R86 VanDerWaalsContact O-NH2 3.15Å |
| 82 | E | 59.3 | Low | 80.9 | Confident | 179 Ų | 179 | 81.4 Ų | 81.4 | 84% | 0.836 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | -15.8 | -164 | -63.9 | -66.2 | 133.1 | 0 | 0 | 114.8 | G80 | G80-E82 PolarHBondContact O-N 3.26Š|
| 83 | T | 73.1 | Confident | 81 | Confident | 77 Ų | 77 | 78.6 Ų | 78.6 | 47% | 0.472 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -88.2 | -36 | -167.2 | 57.6 | 0 | 0 | 0 | 0 | 114.5 | G80 | G80-T83 PolarHBondContact O-N 2.78Š|
| 84 | L | 82.6 | Confident | 80.8 | Confident | 11 Ų | 11 | 74.4 Ų | 74.4 | 6% | 0.058 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -100.5 | 133.4 | -178.6 | -70.1 | 174.7 | 0 | 0 | 0 | 111.8 | R78 R86 L113 Y116 L187 | R78-L84 PolarHBondContact NH2-O 2.99Å; L84-R86 PolarHBondContact O-N 3.26Å; L84-L113 HydrophobicContact CD2-CD2 4.4Å; L84-Y116 HydrophobicContact CD2-CD1 3.91Å; L84-Y116 HydrophobicContact CD2-CD2 3.91Å; L84-Y116 HydrophobicContact CD2-CE1 4.11Å; L84-Y116 HydrophobicContact CD2-CE2 4.09Å; L84-Y116 HydrophobicContact CD2-CG 3.82Å; L84-L187 HydrophobicContact CD1-CB 4.07Å; L84-L187 HydrophobicContact CD2-CD1 3.84Å |
| 85 | P | 86.4 | Confident | 80.6 | Confident | 28 Ų | 28 | 77.7 Ų | 77.7 | 18% | 0.182 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 128.3 | -179.5 | 27.9 | -35.8 | 0 | 0 | 0 | 110.7 | A109 H112 L113 W194 | P85-A109 HydrophobicContact CB-CB 3.99Å; P85-A109 HydrophobicContact CG-CB 4.08Å; P85-H112 HydrophobicContact CG-CB 3.99Å; P85-L113 HydrophobicContact CG-CD1 4.36Å; P85-L113 HydrophobicContact CG-CD2 4.07Å; P85-L113 HydrophobicContact CG-CG 3.86Å; P85-W194 HydrophobicContact CB-CZ2 4.39Å; P85-W194 PolarHBondContact O-NE1 2.86Å |
| 86 | R | 88.2 | Confident | 80.7 | Confident | 126 Ų | 126 | 76 Ų | 76 | 48% | 0.475 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -85.2 | 123.5 | -178.2 | -63.1 | -168.9 | -179.3 | -154.7 | -1.1 | 111.8 | A81 L84 W194 | A81-R86 PolarHBondContact O-NE 3.08Å; A81-R86 PolarHBondContact O-NH2 3.37Å; A81-R86 VanDerWaalsContact O-NH2 3.15Å; L84-R86 PolarHBondContact O-N 3.26Å; R86-W194 VanDerWaalsContact O-CZ2 3.27Å; R86-W194 WeakPolarHBondContact O-CZ2 3.38Å |
| 87 | A | 87.6 | Confident | 81 | Confident | 2 Ų | 2 | 76.5 Ų | 76.5 | 2% | 0.017 | 42% | 0.42 | C | S | . | . | trans | -74.6 | -37.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | V89 E190 T193 W194 R197 | A87-V89 PolarHBondContact O-N 3.25Å; A87-E190 PolarHBondContact N-OE2 2.77Å; A87-T193 HydrophobicContact CB-CG2 3.43Å; A87-T193 VanDerWaalsContact CB-CG2 3.43Å; A87-W194 VanDerWaalsContact CA-CE2 3.48Å; A87-W194 HydrophobicContact CB-CB 4.24Å; A87-W194 HydrophobicContact CB-CD2 3.78Å; A87-W194 HydrophobicContact CB-CG 3.63Å; A87-R197 VanDerWaalsContact O-CD 3.29Å; A87-R197 WeakPolarHBondContact O-CD 3.46Å; A87-R197 PolarHBondContact O-NH1 2.96Å | ||
| 88 | T | 85 | Confident | 81.4 | Confident | 101 Ų | 101 | 76 Ų | 76 | 62% | 0.62 | 41% | 0.413 | S | S | * | . | trans | -71.4 | 121.8 | -174.5 | -54.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 89 | V | 84.1 | Confident | 82.1 | Confident | 57 Ų | 57 | 74.3 Ų | 74.3 | 35% | 0.345 | 41% | 0.407 | S | S | . | . | trans | -134.2 | 154.9 | 176.3 | -73.5 | 0 | 0 | 0 | 0 | 108.5 | A87 W94 | A87-V89 PolarHBondContact O-N 3.25Å; V89-W94 HydrophobicContact CG2-CB 3.71Å; V89-W94 HydrophobicContact CG2-CG 4.21Å | ||
| 90 | N | 87.6 | Confident | 83.5 | Confident | 97 Ų | 97 | 74.4 Ų | 74.4 | 52% | 0.519 | 40% | 0.404 | S | S | . | . | trans | -55.8 | 141.7 | 172.8 | 177.1 | -71.8 | 0 | 0 | 0 | 110.1 | E92 V93 W94 | N90-E92 VanDerWaalsContact C-N 3.33Å; N90-E92 PolarHBondContact O-N 2.77Å; N90-E92 WeakPolarHBondContact OD1-CB 3.26Å; N90-E92 PolarHBondContact OD1-N 3Å; N90-V93 HydrophobicContact CB-CB 4.28Å; N90-V93 HydrophobicContact CB-CG2 4.02Å; N90-V93 PolarHBondContact O-N 3.01Å; N90-W94 PolarHBondContact O-N 2.72Å | ||
| 91 | L | 84.9 | Confident | 85.1 | Confident | 109 Ų | 109 | 75.6 Ų | 75.6 | 57% | 0.571 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -60.2 | -40.4 | -175 | -179.4 | 62.4 | 0 | 0 | 0 | 112.8 | W94 Q95 | L91-W94 HydrophobicContact CD1-CE3 4.05Å; L91-W94 PolarHBondContact O-N 2.99Å; L91-Q95 HydrophobicContact CD1-CG 4.34Å; L91-Q95 VanDerWaalsContact O-CG 3.29Å; L91-Q95 WeakPolarHBondContact O-CG 3.46Å; L91-Q95 PolarHBondContact O-N 3.32Å |
| 92 | E | 88.5 | Confident | 87.2 | Confident | 152 Ų | 152 | 74 Ų | 74 | 71% | 0.71 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -65.8 | -44.5 | 179 | -61 | 177.6 | 177.6 | 0 | 0 | 110.8 | N90 W94 Q95 S96 | N90-E92 VanDerWaalsContact C-N 3.33Å; N90-E92 PolarHBondContact O-N 2.77Å; N90-E92 WeakPolarHBondContact OD1-CB 3.26Å; N90-E92 PolarHBondContact OD1-N 3Å; E92-W94 VanDerWaalsContact C-N 3.34Å; E92-W94 PolarHBondContact O-N 3.13Å; E92-Q95 PolarHBondContact O-N 3.41Å; E92-S96 PolarHBondContact O-N 3.19Å; E92-S96 PolarHBondContact O-OG 2.91Å |
| 93 | V | 89.9 | Confident | 89 | Confident | 77 Ų | 77 | 65.7 Ų | 65.7 | 47% | 0.467 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.8 | -47.2 | 173.4 | 177.1 | 0 | 0 | 0 | 0 | 110 | N90 Q95 S96 L97 | N90-V93 HydrophobicContact CB-CB 4.28Å; N90-V93 HydrophobicContact CB-CG2 4.02Å; N90-V93 PolarHBondContact O-N 3.01Å; V93-Q95 VanDerWaalsContact C-N 3.32Å; V93-Q95 PolarHBondContact O-N 3.41Å; V93-S96 PolarHBondContact O-N 2.9Å; V93-S96 PolarHBondContact O-OG 3.17Å; V93-L97 WeakPolarHBondContact O-CG 3.39Å; V93-L97 PolarHBondContact O-N 2.89Å |
| 94 | W | 87.2 | Confident | 90.1 | Very high | 44 Ų | 44 | 63.2 Ų | 63.2 | 17% | 0.167 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.4 | -43.7 | 177.6 | -179.5 | 75.5 | 0 | 0 | 0 | 111.2 | V89 N90 L91 E92 L97 R102 K200 D201 | V89-W94 HydrophobicContact CG2-CB 3.71Å; V89-W94 HydrophobicContact CG2-CG 4.21Å; N90-W94 PolarHBondContact O-N 2.72Å; L91-W94 HydrophobicContact CD1-CE3 4.05Å; L91-W94 PolarHBondContact O-N 2.99Å; E92-W94 VanDerWaalsContact C-N 3.34Å; E92-W94 PolarHBondContact O-N 3.13Å; W94-L97 PolarHBondContact O-N 3.18Å; W94-R102 VanDerWaalsContact CZ2-NH1 3.3Å; W94-R102 PolarHBondContact O-NH1 3.29Å; W94-R102 PolarHBondContact O-NH2 2.95Å; W94-K200 HydrophobicContact CH2-CB 4.24Å; W94-K200 HydrophobicContact CZ2-CB 3.85Å; W94-K200 HydrophobicContact CZ2-CD 4.43Å; W94-D201 WeakPolarHBondContact CZ2-OD1 3.38Å; W94-D201 PolarHBondContact NE1-OD1 3.35Å |
| 95 | Q | 86.7 | Confident | 90.7 | Very high | 109 Ų | 109 | 65.4 Ų | 65.4 | 51% | 0.509 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.4 | -36 | -179 | -74.1 | 179.7 | 19.8 | 0 | 0 | 113.1 | L91 E92 V93 L97 R102 | L91-Q95 HydrophobicContact CD1-CG 4.34Å; L91-Q95 VanDerWaalsContact O-CG 3.29Å; L91-Q95 WeakPolarHBondContact O-CG 3.46Å; L91-Q95 PolarHBondContact O-N 3.32Å; E92-Q95 PolarHBondContact O-N 3.41Å; V93-Q95 VanDerWaalsContact C-N 3.32Å; V93-Q95 PolarHBondContact O-N 3.41Å; Q95-L97 VanDerWaalsContact C-N 3.27Å; Q95-L97 PolarHBondContact O-N 3.18Å; Q95-R102 PolarHBondContact O-NH2 3.47Å |
| 96 | S | 91.4 | Very high | 91.2 | Very high | 96 Ų | 96 | 64.1 Ų | 64.1 | 67% | 0.671 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -72.3 | -17.6 | -179.3 | 71.6 | 0 | 0 | 0 | 0 | 113.8 | E92 V93 N98 | E92-S96 PolarHBondContact O-N 3.19Å; E92-S96 PolarHBondContact O-OG 2.91Å; V93-S96 PolarHBondContact O-N 2.9Å; V93-S96 PolarHBondContact O-OG 3.17Å; S96-N98 PolarHBondContact O-N 2.92Å |
| 97 | L | 93.1 | Very high | 91.6 | Very high | 19 Ų | 19 | 60.4 Ų | 60.4 | 10% | 0.099 | 32% | 0.318 | C | S | . | . | trans | -61.3 | 127.9 | 175.9 | -60.2 | 178.1 | 0 | 0 | 0 | 111.9 | V93 W94 Q95 L101 R102 Q105 R204 | V93-L97 WeakPolarHBondContact O-CG 3.39Å; V93-L97 PolarHBondContact O-N 2.89Å; W94-L97 PolarHBondContact O-N 3.18Å; Q95-L97 VanDerWaalsContact C-N 3.27Å; Q95-L97 PolarHBondContact O-N 3.18Å; L97-L101 HydrophobicContact CD2-CB 4.31Å; L97-L101 HydrophobicContact CD2-CD1 4.2Å; L97-R102 HydrophobicContact CB-CG 3.85Å; L97-R102 HydrophobicContact CD1-CG 4.34Å; L97-R102 PolarHBondContact O-NE 3.43Å; L97-R102 PolarHBondContact O-NH2 2.88Å; L97-Q105 VanDerWaalsContact CD1-OE1 3.28Å; L97-R204 PolarHBondContact O-NH1 3.35Å | ||
| 98 | N | 94.4 | Very high | 92 | Very high | 84 Ų | 84 | 64.4 Ų | 64.4 | 45% | 0.449 | 34% | 0.336 | S | S | . | . | trans | -75.4 | 168.5 | 168.7 | 68.9 | 50.5 | 0 | 0 | 0 | 111.6 | S96 K100 L101 R102 | S96-N98 PolarHBondContact O-N 2.92Å; N98-K100 VanDerWaalsContact C-N 3.35Å; N98-K100 PolarHBondContact O-N 2.96Å; N98-K100 WeakPolarHBondContact OD1-CB 3.46Å; N98-K100 PolarHBondContact OD1-N 3.22Å; N98-L101 PolarHBondContact O-N 3.01Å; N98-L101 PolarHBondContact OD1-N 3.31Å; N98-R102 WeakPolarHBondContact O-CG 3.38Å; N98-R102 PolarHBondContact O-N 3.5Å; N98-R102 VanDerWaalsContact O-N 3.09Å | ||
| 99 | D | 95.1 | Very high | 92.4 | Very high | 14 Ų | 14 | 59.7 Ų | 59.7 | 8% | 0.075 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.2 | -40.8 | -173.7 | -58.2 | -33.1 | 0 | 0 | 0 | 112.3 | R102 L103 Y156 L205 K208 | D99-R102 PolarHBondContact O-N 3.17Å; D99-L103 WeakPolarHBondContact O-CG 3.41Å; D99-L103 PolarHBondContact O-N 2.79Å; D99-Y156 HydrophobicContact CB-CE2 4.36Å; D99-L205 HydrophobicContact CB-CD1 4.07Å; D99-K208 IonicContact OD2-NZ 2.71Å; D99-K208 PolarHBondContact OD2-NZ 3.5Å |
| 100 | K | 95.9 | Very high | 93.1 | Very high | 92 Ų | 92 | 57 Ų | 57 | 40% | 0.4 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.4 | -50.8 | 176.5 | 179.8 | -179.3 | 176.9 | -177.9 | 0 | 111.1 | N98 R102 L103 T104 Y156 | N98-K100 VanDerWaalsContact C-N 3.35Å; N98-K100 PolarHBondContact O-N 2.96Å; N98-K100 WeakPolarHBondContact OD1-CB 3.46Å; N98-K100 PolarHBondContact OD1-N 3.22Å; K100-R102 VanDerWaalsContact C-N 3.34Å; K100-R102 PolarHBondContact O-N 3.22Å; K100-L103 PolarHBondContact O-N 3.22Å; K100-T104 WeakPolarHBondContact O-CB 3.39Å; K100-T104 PolarHBondContact O-N 3.45Å; K100-T104 PolarHBondContact O-OG1 3.33Å; K100-Y156 HydrophobicContact CB-CD1 4.02Å; K100-Y156 HydrophobicContact CB-CD2 4.06Å; K100-Y156 HydrophobicContact CB-CE1 3.99Å; K100-Y156 HydrophobicContact CB-CE2 4.01Å; K100-Y156 HydrophobicContact CB-CG 4.07Å; K100-Y156 HydrophobicContact CD-CD1 4.13Å; K100-Y156 HydrophobicContact CG-CD1 4.03Å; K100-Y156 HydrophobicContact CG-CD2 4.36Å; K100-Y156 HydrophobicContact CG-CE1 4.48Å; K100-Y156 HydrophobicContact CG-CG 3.98Å |
| 101 | L | 95.5 | Very high | 93.4 | Very high | 75 Ų | 75 | 53.7 Ų | 53.7 | 39% | 0.393 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.1 | -39.6 | -179 | -72.9 | 174 | 0 | 0 | 0 | 112.3 | L97 N98 Q105 | L97-L101 HydrophobicContact CD2-CB 4.31Å; L97-L101 HydrophobicContact CD2-CD1 4.2Å; N98-L101 PolarHBondContact O-N 3.01Å; N98-L101 PolarHBondContact OD1-N 3.31Å; L101-Q105 WeakPolarHBondContact O-CB 3.48Å; L101-Q105 VanDerWaalsContact O-CG 3.28Å; L101-Q105 WeakPolarHBondContact O-CG 3.33Å; L101-Q105 PolarHBondContact O-N 2.91Å |
| 102 | R | 95.8 | Very high | 93.7 | Very high | 5 Ų | 5 | 51.1 Ų | 51.1 | 2% | 0.019 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.3 | -48.2 | 174.7 | -67.6 | 170.1 | -168.7 | -84.8 | -4 | 111 | W94 Q95 L97 N98 D99 K100 Q105 N106 D201 | W94-R102 VanDerWaalsContact CZ2-NH1 3.3Å; W94-R102 PolarHBondContact O-NH1 3.29Å; W94-R102 PolarHBondContact O-NH2 2.95Å; Q95-R102 PolarHBondContact O-NH2 3.47Å; L97-R102 HydrophobicContact CB-CG 3.85Å; L97-R102 HydrophobicContact CD1-CG 4.34Å; L97-R102 PolarHBondContact O-NE 3.43Å; L97-R102 PolarHBondContact O-NH2 2.88Å; N98-R102 WeakPolarHBondContact O-CG 3.38Å; N98-R102 PolarHBondContact O-N 3.5Å; N98-R102 VanDerWaalsContact O-N 3.09Å; D99-R102 PolarHBondContact O-N 3.17Å; K100-R102 VanDerWaalsContact C-N 3.34Å; K100-R102 PolarHBondContact O-N 3.22Å; R102-Q105 PolarHBondContact O-N 3.48Å; R102-N106 WeakPolarHBondContact O-CB 3.4Å; R102-N106 PolarHBondContact O-N 2.98Å; R102-N106 PolarHBondContact O-ND2 3Å; R102-D201 HydrophobicContact CB-CB 4.44Å; R102-D201 IonicContact CZ-OD1 3.77Å; R102-D201 IonicContact NH1-OD1 2.74Å; R102-D201 PolarHBondContact NH1-OD1 3.03Å |
| 103 | L | 97 | Very high | 94 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.7 | -43.6 | -179.3 | -71.9 | 166.3 | 0 | 0 | 0 | 111.7 | D99 K100 N106 Y107 I147 V150 M151 L154 Y156 F202 L205 | D99-L103 WeakPolarHBondContact O-CG 3.41Å; D99-L103 PolarHBondContact O-N 2.79Å; K100-L103 PolarHBondContact O-N 3.22Å; L103-N106 PolarHBondContact O-N 3.42Å; L103-Y107 WeakPolarHBondContact O-CB 3.44Å; L103-Y107 PolarHBondContact O-N 3.47Å; L103-I147 HydrophobicContact CD2-CG2 4.33Å; L103-V150 HydrophobicContact CD1-CG1 4.15Å; L103-V150 HydrophobicContact CD2-CG1 4.02Å; L103-M151 HydrophobicContact CB-CG 3.73Å; L103-M151 HydrophobicContact CB-SD 4.03Å; L103-M151 HydrophobicContact CD1-CG 4.16Å; L103-M151 HydrophobicContact CD2-CG 4.5Å; L103-M151 HydrophobicContact CG-CG 4.35Å; L103-L154 HydrophobicContact CD1-CD1 3.85Å; L103-Y156 HydrophobicContact CD1-CD2 3.71Å; L103-Y156 HydrophobicContact CD1-CE2 3.87Å; L103-F202 HydrophobicContact CD2-CD1 4.49Å; L103-F202 HydrophobicContact CD2-CE1 3.7Å; L103-L205 HydrophobicContact CD1-CD2 4.28Å; L103-L205 HydrophobicContact CD2-CD2 4.45Å |
| 104 | T | 96 | Very high | 94.3 | Very high | 25 Ų | 25 | 40.6 Ų | 40.6 | 15% | 0.153 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55.9 | -53 | 173.1 | -69.3 | 0 | 0 | 0 | 0 | 111.5 | K100 N106 Y107 E108 P159 | K100-T104 WeakPolarHBondContact O-CB 3.39Å; K100-T104 PolarHBondContact O-N 3.45Å; K100-T104 PolarHBondContact O-OG1 3.33Å; T104-N106 VanDerWaalsContact C-N 3.34Å; T104-N106 PolarHBondContact O-N 3.28Å; T104-Y107 PolarHBondContact O-N 3.19Å; T104-Y107 VanDerWaalsContact O-N 3.16Å; T104-E108 HydrophobicContact CG2-CG 4.47Å; T104-E108 WeakPolarHBondContact O-CG 3.48Å; T104-E108 PolarHBondContact O-N 3.46Å; T104-P159 HydrophobicContact CG2-CB 4.35Å; T104-P159 HydrophobicContact CG2-CG 3.71Å |
| 105 | Q | 95.1 | Very high | 94.5 | Very high | 58 Ų | 58 | 39.9 Ų | 39.9 | 27% | 0.271 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.5 | -39.9 | -179.4 | -74.6 | 178.6 | -6.1 | 0 | 0 | 112.6 | L97 L101 R102 A109 W194 | L97-Q105 VanDerWaalsContact CD1-OE1 3.28Å; L101-Q105 WeakPolarHBondContact O-CB 3.48Å; L101-Q105 VanDerWaalsContact O-CG 3.28Å; L101-Q105 WeakPolarHBondContact O-CG 3.33Å; L101-Q105 PolarHBondContact O-N 2.91Å; R102-Q105 PolarHBondContact O-N 3.48Å; Q105-A109 WeakPolarHBondContact O-CB 3.39Å; Q105-A109 PolarHBondContact O-N 3.35Å; Q105-W194 HydrophobicContact CB-CH2 4.17Å |
| 106 | N | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.9 | -46 | 174.5 | -76.7 | -62.1 | 0 | 0 | 0 | 111.1 | R102 L103 T104 A109 Y110 I147 S198 D201 | R102-N106 WeakPolarHBondContact O-CB 3.4Å; R102-N106 PolarHBondContact O-N 2.98Å; R102-N106 PolarHBondContact O-ND2 3Å; L103-N106 PolarHBondContact O-N 3.42Å; T104-N106 VanDerWaalsContact C-N 3.34Å; T104-N106 PolarHBondContact O-N 3.28Å; N106-A109 PolarHBondContact O-N 3.04Å; N106-Y110 HydrophobicContact CB-CD2 4.42Å; N106-Y110 HydrophobicContact CB-CE2 4.29Å; N106-Y110 WeakPolarHBondContact O-CB 3.45Å; N106-Y110 WeakPolarHBondContact O-CD2 3.38Å; N106-Y110 PolarHBondContact O-N 3.41Å; N106-I147 HydrophobicContact CB-CD1 4.2Å; N106-S198 WeakPolarHBondContact OD1-CB 3.45Å; N106-S198 PolarHBondContact OD1-OG 2.99Å; N106-D201 PolarHBondContact ND2-OD2 3.41Å |
| 107 | Y | 96.9 | Very high | 94.9 | Very high | 49 Ų | 49 | 32.2 Ų | 32.2 | 19% | 0.192 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.3 | -48.1 | 179.8 | -174.9 | -91.6 | 0 | 0 | 0 | 112.2 | L103 T104 S111 L144 I147 A148 L158 P159 | L103-Y107 WeakPolarHBondContact O-CB 3.44Å; L103-Y107 PolarHBondContact O-N 3.47Å; T104-Y107 PolarHBondContact O-N 3.19Å; T104-Y107 VanDerWaalsContact O-N 3.16Å; Y107-S111 WeakPolarHBondContact O-CB 3.1Å; Y107-S111 PolarHBondContact O-N 2.9Å; Y107-S111 PolarHBondContact O-OG 2.86Å; Y107-L144 HydrophobicContact CD2-CD1 3.58Å; Y107-L144 HydrophobicContact CD2-CG 4.02Å; Y107-L144 HydrophobicContact CE2-CD1 3.75Å; Y107-L144 HydrophobicContact CE2-CD2 4.39Å; Y107-L144 HydrophobicContact CE2-CG 3.7Å; Y107-L144 HydrophobicContact CG-CD1 4.06Å; Y107-L144 VanDerWaalsContact O-CD1 3.26Å; Y107-L144 WeakPolarHBondContact O-CD1 3.43Å; Y107-I147 HydrophobicContact CD2-CG2 4.19Å; Y107-A148 HydrophobicContact CE2-CB 4Å; Y107-L158 HydrophobicContact CD1-CD2 4.25Å; Y107-L158 HydrophobicContact CD2-CD2 3.78Å; Y107-L158 HydrophobicContact CE1-CD2 4.02Å; Y107-L158 HydrophobicContact CE2-CD2 3.54Å; Y107-L158 HydrophobicContact CG-CD2 4.13Å; Y107-P159 HydrophobicContact CD1-CG 3.97Å |
| 108 | E | 94.5 | Very high | 94.9 | Very high | 85 Ų | 85 | 35.9 Ų | 35.9 | 40% | 0.397 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -61.9 | -48.2 | 178 | -70.9 | 172 | 160.3 | 0 | 0 | 111 | T104 Y110 S111 H112 P159 | T104-E108 HydrophobicContact CG2-CG 4.47Å; T104-E108 WeakPolarHBondContact O-CG 3.48Å; T104-E108 PolarHBondContact O-N 3.46Å; E108-Y110 PolarHBondContact O-N 3.45Å; E108-S111 WeakPolarHBondContact O-CB 3.42Å; E108-S111 PolarHBondContact O-N 3.32Å; E108-H112 PolarHBondContact O-CD2 3.21Å; E108-H112 PolarHBondContact O-N 3.08Å; E108-P159 HydrophobicContact CG-CB 3.96Å; E108-P159 HydrophobicContact CG-CG 4.02Å; E108-P159 WeakPolarHBondContact OE1-CB 3.26Å |
| 109 | A | 94.9 | Very high | 94.7 | Very high | 2 Ų | 2 | 32 Ų | 32 | 2% | 0.017 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.9 | -48.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P85 Q105 N106 S111 H112 L113 W194 | P85-A109 HydrophobicContact CB-CB 3.99Å; P85-A109 HydrophobicContact CG-CB 4.08Å; Q105-A109 WeakPolarHBondContact O-CB 3.39Å; Q105-A109 PolarHBondContact O-N 3.35Å; N106-A109 PolarHBondContact O-N 3.04Å; A109-S111 VanDerWaalsContact C-N 3.31Å; A109-S111 PolarHBondContact O-N 2.99Å; A109-H112 PolarHBondContact O-N 2.92Å; A109-L113 WeakPolarHBondContact O-CB 3.41Å; A109-L113 WeakPolarHBondContact O-CG 3.19Å; A109-L113 PolarHBondContact O-N 3.35Å; A109-W194 HydrophobicContact CB-CD2 3.59Å; A109-W194 HydrophobicContact CB-CE3 3.9Å; A109-W194 HydrophobicContact CB-CG 4.28Å; A109-W194 HydrophobicContact CB-CH2 3.66Å; A109-W194 HydrophobicContact CB-CZ2 3.33Å; A109-W194 HydrophobicContact CB-CZ3 3.93Å |
| 110 | Y | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.2 | -30.2 | 179.2 | -70.5 | -52.3 | 0 | 0 | 0 | 113.1 | N106 E108 L113 L114 L140 L143 I147 L191 W194 L195 S198 | N106-Y110 HydrophobicContact CB-CD2 4.42Å; N106-Y110 HydrophobicContact CB-CE2 4.29Å; N106-Y110 WeakPolarHBondContact O-CB 3.45Å; N106-Y110 WeakPolarHBondContact O-CD2 3.38Å; N106-Y110 PolarHBondContact O-N 3.41Å; E108-Y110 PolarHBondContact O-N 3.45Å; Y110-L113 HydrophobicContact CD1-CD1 4.27Å; Y110-L114 WeakPolarHBondContact O-CB 3.43Å; Y110-L114 PolarHBondContact O-N 2.95Å; Y110-L140 HydrophobicContact CD1-CD1 3.62Å; Y110-L140 HydrophobicContact CD1-CG 4.49Å; Y110-L140 HydrophobicContact CE1-CD1 4Å; Y110-L140 HydrophobicContact CG-CD1 4.29Å; Y110-L143 HydrophobicContact CD2-CD2 4.09Å; Y110-L143 HydrophobicContact CE1-CD2 4.25Å; Y110-L143 HydrophobicContact CE2-CD2 3.75Å; Y110-I147 HydrophobicContact CD2-CD1 3.62Å; Y110-I147 HydrophobicContact CE2-CD1 3.96Å; Y110-L191 HydrophobicContact CD1-CD1 4.46Å; Y110-L191 HydrophobicContact CE1-CD1 4.32Å; Y110-W194 HydrophobicContact CE1-CB 4.06Å; Y110-W194 VanDerWaalsContact OH-C 3.24Å; Y110-W194 PolarHBondContact OH-O 3.42Å; Y110-L195 HydrophobicContact CE1-CD2 4.12Å; Y110-L195 HydrophobicContact CE1-CG 4.39Å; Y110-L195 VanDerWaalsContact OH-CA 3.26Å; Y110-L195 WeakPolarHBondContact OH-CA 3.34Å; Y110-L195 PolarHBondContact OH-N 3.38Å; Y110-S198 VanDerWaalsContact CE2-OG 3.32Å; Y110-S198 WeakPolarHBondContact CE2-OG 2.99Å; Y110-S198 WeakPolarHBondContact OH-CB 3.2Å; Y110-S198 PolarHBondContact OH-OG 3.38Å |
| 111 | S | 94.4 | Very high | 94.3 | Very high | 29 Ų | 29 | 28.5 Ų | 28.5 | 20% | 0.203 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.1 | -46.4 | 172.3 | -59.9 | 0 | 0 | 0 | 0 | 111.1 | Y107 E108 A109 C115 L144 | Y107-S111 WeakPolarHBondContact O-CB 3.1Å; Y107-S111 PolarHBondContact O-N 2.9Å; Y107-S111 PolarHBondContact O-OG 2.86Å; E108-S111 WeakPolarHBondContact O-CB 3.42Å; E108-S111 PolarHBondContact O-N 3.32Å; A109-S111 VanDerWaalsContact C-N 3.31Å; A109-S111 PolarHBondContact O-N 2.99Å; S111-C115 PolarHBondContact O-N 3.4Å; S111-L144 WeakPolarHBondContact OG-CD1 3.42Å |
| 112 | H | 92.4 | Very high | 94.1 | Very high | 55 Ų | 55 | 34.2 Ų | 34.2 | 26% | 0.255 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -65.1 | -52.9 | 176.8 | -78 | -123.8 | 0 | 0 | 0 | 111.6 | P85 E108 A109 L114 C115 Y116 P167 | P85-H112 HydrophobicContact CG-CB 3.99Å; E108-H112 PolarHBondContact O-CD2 3.21Å; E108-H112 PolarHBondContact O-N 3.08Å; A109-H112 PolarHBondContact O-N 2.92Å; H112-L114 VanDerWaalsContact C-N 3.3Å; H112-L114 PolarHBondContact O-N 3.21Å; H112-C115 WeakPolarHBondContact O-CB 3.49Å; H112-C115 PolarHBondContact O-N 3.02Å; H112-Y116 WeakPolarHBondContact O-CD2 3.48Å; H112-Y116 PolarHBondContact O-N 2.97Å; H112-P167 HydrophobicContact CB-CB 4.21Å |
| 113 | L | 94.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.7 | -38.5 | -177.9 | -66.4 | 166.5 | 0 | 0 | 0 | 112.2 | L84 P85 A109 Y110 C115 Y116 L117 L187 L191 W194 | L84-L113 HydrophobicContact CD2-CD2 4.4Å; P85-L113 HydrophobicContact CG-CD1 4.36Å; P85-L113 HydrophobicContact CG-CD2 4.07Å; P85-L113 HydrophobicContact CG-CG 3.86Å; A109-L113 WeakPolarHBondContact O-CB 3.41Å; A109-L113 WeakPolarHBondContact O-CG 3.19Å; A109-L113 PolarHBondContact O-N 3.35Å; Y110-L113 HydrophobicContact CD1-CD1 4.27Å; L113-C115 VanDerWaalsContact C-N 3.32Å; L113-C115 PolarHBondContact O-N 3.15Å; L113-Y116 PolarHBondContact O-N 3.41Å; L113-L117 WeakPolarHBondContact O-CB 3.21Å; L113-L117 WeakPolarHBondContact O-CG 3.43Å; L113-L117 PolarHBondContact O-N 3.36Å; L113-L187 HydrophobicContact CD2-CD1 3.55Å; L113-L191 HydrophobicContact CB-CD1 4.22Å; L113-L191 HydrophobicContact CD1-CD1 3.91Å; L113-W194 HydrophobicContact CD1-CB 4.29Å; L113-W194 HydrophobicContact CD1-CG 4.01Å |
| 114 | L | 95.6 | Very high | 93 | Very high | 7 Ų | 7 | 38.6 Ų | 38.6 | 4% | 0.037 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.2 | -37.8 | 175.5 | 178.6 | 60.2 | 0 | 0 | 0 | 112 | Y110 H112 R118 C137 L140 Q141 | Y110-L114 WeakPolarHBondContact O-CB 3.43Å; Y110-L114 PolarHBondContact O-N 2.95Å; H112-L114 VanDerWaalsContact C-N 3.3Å; H112-L114 PolarHBondContact O-N 3.21Å; L114-R118 HydrophobicContact CD1-CG 4.36Å; L114-R118 VanDerWaalsContact O-CG 3.32Å; L114-R118 WeakPolarHBondContact O-CG 3.33Å; L114-R118 PolarHBondContact O-N 2.8Å; L114-C137 HydrophobicContact CD1-CB 3.98Å; L114-C137 WeakPolarHBondContact CD1-O 2.83Å; L114-L140 HydrophobicContact CB-CD2 3.98Å; L114-L140 HydrophobicContact CD1-CB 4.34Å; L114-L140 HydrophobicContact CD1-CD2 4.19Å; L114-Q141 HydrophobicContact CD2-CB 3.93Å; L114-Q141 HydrophobicContact CD2-CG 4.4Å |
| 115 | C | 92.6 | Very high | 92.2 | Very high | 30 Ų | 30 | 40.3 Ų | 40.3 | 20% | 0.203 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.3 | -48.8 | 174.9 | -174.9 | 0 | 0 | 0 | 0 | 111.3 | S111 H112 L113 L117 R118 G119 P167 | S111-C115 PolarHBondContact O-N 3.4Å; H112-C115 WeakPolarHBondContact O-CB 3.49Å; H112-C115 PolarHBondContact O-N 3.02Å; L113-C115 VanDerWaalsContact C-N 3.32Å; L113-C115 PolarHBondContact O-N 3.15Å; C115-L117 PolarHBondContact O-N 2.76Å; C115-R118 PolarHBondContact O-N 3.46Å; C115-G119 PolarHBondContact O-N 3.24Å; C115-G119 VanDerWaalsContact O-N 3.11Å; C115-P167 HydrophobicContact CB-CB 4.02Å; C115-P167 HydrophobicContact CB-CG 4.43Å; C115-P167 PolarHBondContact SG-O 2.76Å |
| 116 | Y | 91.1 | Very high | 92 | Very high | 43 Ų | 43 | 40.1 Ų | 40.1 | 17% | 0.169 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.6 | -43.7 | 178.2 | -83.4 | -98.3 | 0 | 0 | 0 | 112.7 | L84 H112 L113 R118 G119 L120 W169 | L84-Y116 HydrophobicContact CD2-CD1 3.91Å; L84-Y116 HydrophobicContact CD2-CD2 3.91Å; L84-Y116 HydrophobicContact CD2-CE1 4.11Å; L84-Y116 HydrophobicContact CD2-CE2 4.09Å; L84-Y116 HydrophobicContact CD2-CG 3.82Å; H112-Y116 WeakPolarHBondContact O-CD2 3.48Å; H112-Y116 PolarHBondContact O-N 2.97Å; L113-Y116 PolarHBondContact O-N 3.41Å; Y116-R118 VanDerWaalsContact C-N 3.29Å; Y116-R118 PolarHBondContact O-N 3.33Å; Y116-G119 WeakPolarHBondContact O-CA 3.01Å; Y116-G119 PolarHBondContact O-N 3.34Å; Y116-G119 VanDerWaalsContact O-N 3.09Å; Y116-L120 PolarHBondContact O-N 3.2Å; Y116-W169 AromaticContact CD1-CD1 3.62Å |
| 117 | L | 94 | Very high | 91.8 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.1 | -35.1 | 176.8 | -75.8 | 168.7 | 0 | 0 | 0 | 113 | L113 C115 G119 L120 N121 L133 F136 L140 L187 L191 | L113-L117 WeakPolarHBondContact O-CB 3.21Å; L113-L117 WeakPolarHBondContact O-CG 3.43Å; L113-L117 PolarHBondContact O-N 3.36Å; C115-L117 PolarHBondContact O-N 2.76Å; L117-G119 VanDerWaalsContact C-N 3.35Å; L117-L120 HydrophobicContact CD2-CD2 4.33Å; L117-L120 WeakPolarHBondContact O-CB 3.4Å; L117-L120 PolarHBondContact O-N 3.25Å; L117-N121 WeakPolarHBondContact O-CB 3.26Å; L117-N121 PolarHBondContact O-N 3.34Å; L117-L133 HydrophobicContact CD2-CD2 4.32Å; L117-F136 HydrophobicContact CD1-CD1 3.94Å; L117-F136 HydrophobicContact CD1-CE1 3.83Å; L117-L140 HydrophobicContact CD1-CD2 3.57Å; L117-L187 HydrophobicContact CD2-CD2 4.02Å; L117-L187 HydrophobicContact CD2-CG 4.46Å; L117-L187 HydrophobicContact CG-CD2 4.25Å; L117-L191 HydrophobicContact CD1-CD1 4.46Å; L117-L191 HydrophobicContact CD1-CD2 3.83Å; L117-L191 HydrophobicContact CD2-CD2 4.3Å |
| 118 | R | 94.3 | Very high | 91.6 | Very high | 97 Ų | 97 | 46.2 Ų | 46.2 | 37% | 0.366 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -68.1 | -36.9 | 174.1 | -75.2 | 171.3 | 173.8 | 163.2 | -3.1 | 111.5 | L114 C115 Y116 R122 C137 | L114-R118 HydrophobicContact CD1-CG 4.36Å; L114-R118 VanDerWaalsContact O-CG 3.32Å; L114-R118 WeakPolarHBondContact O-CG 3.33Å; L114-R118 PolarHBondContact O-N 2.8Å; C115-R118 PolarHBondContact O-N 3.46Å; Y116-R118 VanDerWaalsContact C-N 3.29Å; Y116-R118 PolarHBondContact O-N 3.33Å; R118-R122 WeakPolarHBondContact O-CG 3.41Å; R118-R122 PolarHBondContact O-N 3.46Å; R118-C137 HydrophobicContact CG-CB 4.48Å |
| 119 | G | 90.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.9 | -52.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | C115 Y116 L117 N121 R122 Q123 | C115-G119 PolarHBondContact O-N 3.24Å; C115-G119 VanDerWaalsContact O-N 3.11Å; Y116-G119 WeakPolarHBondContact O-CA 3.01Å; Y116-G119 PolarHBondContact O-N 3.34Å; Y116-G119 VanDerWaalsContact O-N 3.09Å; L117-G119 VanDerWaalsContact C-N 3.35Å; G119-N121 VanDerWaalsContact C-N 3.31Å; G119-N121 PolarHBondContact O-N 3.33Å; G119-R122 WeakPolarHBondContact O-CB 3.37Å; G119-R122 PolarHBondContact O-N 3.41Å; G119-Q123 PolarHBondContact O-N 2.78Å |
| 120 | L | 89.8 | Confident | 91.6 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -53.7 | -45.7 | 176.3 | -171.8 | 63.5 | 0 | 0 | 0 | 112.5 | Y61 Y116 L117 R122 Q123 A124 L133 D184 L187 | Y61-L120 HydrophobicContact CD2-CD2 4.28Å; Y61-L120 HydrophobicContact CE2-CD1 3.8Å; Y61-L120 HydrophobicContact CE2-CD2 3.76Å; Y61-L120 HydrophobicContact CE2-CG 3.87Å; Y61-L120 WeakPolarHBondContact OH-CD1 3.26Å; Y116-L120 PolarHBondContact O-N 3.2Å; L117-L120 HydrophobicContact CD2-CD2 4.33Å; L117-L120 WeakPolarHBondContact O-CB 3.4Å; L117-L120 PolarHBondContact O-N 3.25Å; L120-R122 VanDerWaalsContact C-N 3.29Å; L120-R122 PolarHBondContact O-N 3.46Å; L120-Q123 CarbonylContact O-C 3.59Å; L120-Q123 PolarHBondContact O-N 2.99Å; L120-Q123 VanDerWaalsContact O-N 3.1Å; L120-A124 PolarHBondContact O-N 3.44Å; L120-L133 HydrophobicContact CD2-CD1 4.44Å; L120-L133 HydrophobicContact CD2-CD2 3.92Å; L120-L133 HydrophobicContact CG-CD1 4.23Å; L120-L133 HydrophobicContact CG-CD2 4.46Å; L120-D184 HydrophobicContact CD1-CB 4Å; L120-D184 WeakPolarHBondContact CD1-OD1 3.43Å; L120-D184 VanDerWaalsContact CD1-OD2 3.23Å; L120-D184 WeakPolarHBondContact CD1-OD2 3.46Å; L120-L187 HydrophobicContact CD2-CD2 4.28Å |
| 121 | N | 92.8 | Very high | 91.6 | Very high | 31 Ų | 31 | 55.1 Ų | 55.1 | 17% | 0.166 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.2 | -35.6 | 178.8 | -174.2 | 45.3 | 0 | 0 | 0 | 113.1 | L117 G119 Q123 A124 R130 L133 | L117-N121 WeakPolarHBondContact O-CB 3.26Å; L117-N121 PolarHBondContact O-N 3.34Å; G119-N121 VanDerWaalsContact C-N 3.31Å; G119-N121 PolarHBondContact O-N 3.33Å; N121-Q123 PolarHBondContact O-N 3.39Å; N121-A124 WeakPolarHBondContact O-CB 3.44Å; N121-A124 PolarHBondContact O-N 3.2Å; N121-R130 WeakPolarHBondContact OD1-CA 3.34Å; N121-R130 WeakPolarHBondContact OD1-CG 3.48Å; N121-R130 PolarHBondContact OD1-O 2.95Å; N121-L133 HydrophobicContact CB-CB 3.93Å; N121-L133 HydrophobicContact CB-CD1 4.44Å; N121-L133 VanDerWaalsContact OD1-CB 3.32Å; N121-L133 WeakPolarHBondContact OD1-CB 3.46Å |
| 122 | R | 89.9 | Confident | 91.6 | Very high | 196 Ų | 196 | 55.8 Ų | 55.8 | 74% | 0.74 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -66.3 | -29.7 | 176.8 | -69.6 | 167.9 | -178.1 | 169.4 | 0.5 | 112 | R118 G119 L120 | R118-R122 WeakPolarHBondContact O-CG 3.41Å; R118-R122 PolarHBondContact O-N 3.46Å; G119-R122 WeakPolarHBondContact O-CB 3.37Å; G119-R122 PolarHBondContact O-N 3.41Å; L120-R122 VanDerWaalsContact C-N 3.29Å; L120-R122 PolarHBondContact O-N 3.46Å |
| 123 | Q | 85.4 | Confident | 91.8 | Very high | 95 Ų | 95 | 53.2 Ų | 53.2 | 44% | 0.444 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -93.3 | -8.1 | 179.4 | -65.6 | -179.5 | -42.9 | 0 | 0 | 113.9 | G119 L120 N121 A125 W169 | G119-Q123 PolarHBondContact O-N 2.78Å; L120-Q123 CarbonylContact O-C 3.59Å; L120-Q123 PolarHBondContact O-N 2.99Å; L120-Q123 VanDerWaalsContact O-N 3.1Å; N121-Q123 PolarHBondContact O-N 3.39Å; Q123-A125 PolarHBondContact O-N 2.92Å; Q123-W169 VanDerWaalsContact CD-CH2 3.49Å; Q123-W169 VanDerWaalsContact CD-CZ2 3.46Å; Q123-W169 HydrophobicContact CG-CH2 4.12Å; Q123-W169 HydrophobicContact CG-CZ2 4.37Å; Q123-W169 VanDerWaalsContact OE1-CZ2 3.24Å |
| 124 | A | 84.6 | Confident | 92 | Very high | 6 Ų | 6 | 55 Ų | 55 | 5% | 0.05 | 27% | 0.272 | C | S | . | . | trans | -56.8 | 124.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L120 N121 L129 R130 L133 | L120-A124 PolarHBondContact O-N 3.44Å; N121-A124 WeakPolarHBondContact O-CB 3.44Å; N121-A124 PolarHBondContact O-N 3.2Å; A124-L129 HydrophobicContact CB-CB 4.49Å; A124-L129 HydrophobicContact CB-CD2 4.41Å; A124-L129 HydrophobicContact CB-CG 4.37Å; A124-R130 HydrophobicContact CB-CB 4.13Å; A124-R130 PolarHBondContact O-NH2 3.04Å; A124-L133 HydrophobicContact CB-CD1 3.85Å | ||
| 125 | A | 80.3 | Confident | 92.1 | Very high | 60 Ų | 60 | 58.7 Ų | 58.7 | 50% | 0.496 | 29% | 0.289 | S | S | . | . | trans | -75.7 | -34.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y64 Q123 | Y64-A125 HydrophobicContact CE2-CB 3.88Å; Y64-A125 WeakPolarHBondContact OH-CB 3.49Å; Q123-A125 PolarHBondContact O-N 2.92Å | ||
| 126 | T | 90.5 | Very high | 92.3 | Very high | 55 Ų | 55 | 57.4 Ų | 57.4 | 34% | 0.337 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -102.1 | 147.4 | -177.5 | 76.8 | 0 | 0 | 0 | 0 | 111.7 | Y64 E128 L129 R130 | Y64-T126 HydrophobicContact CD2-CG2 4.23Å; Y64-T126 HydrophobicContact CE2-CG2 4.23Å; T126-E128 VanDerWaalsContact C-N 3.26Å; T126-E128 PolarHBondContact O-N 3.14Å; T126-L129 PolarHBondContact O-N 3.14Å; T126-L129 WeakPolarHBondContact OG1-CB 3.2Å; T126-L129 PolarHBondContact OG1-N 2.86Å; T126-L129 VanDerWaalsContact OG1-N 3.16Å; T126-R130 WeakPolarHBondContact O-CB 3.46Å; T126-R130 PolarHBondContact O-N 2.96Å |
| 127 | A | 93.3 | Very high | 92.6 | Very high | 58 Ų | 58 | 55.7 Ų | 55.7 | 48% | 0.479 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.9 | -33.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R131 | A127-R131 WeakPolarHBondContact O-CB 3.27Å; A127-R131 PolarHBondContact O-N 2.97Å |
| 128 | E | 92.9 | Very high | 92.9 | Very high | 119 Ų | 119 | 60.3 Ų | 60.3 | 56% | 0.556 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -64.5 | -51.2 | 174.8 | -176 | -178.5 | 178.7 | 0 | 0 | 111.5 | T126 R130 R131 S132 | T126-E128 VanDerWaalsContact C-N 3.26Å; T126-E128 PolarHBondContact O-N 3.14Å; E128-R130 VanDerWaalsContact C-N 3.29Å; E128-R130 PolarHBondContact O-N 3.41Å; E128-R131 WeakPolarHBondContact O-CB 3.43Å; E128-R131 PolarHBondContact O-N 2.93Å; E128-R131 VanDerWaalsContact O-N 3.1Å; E128-S132 PolarHBondContact O-N 3.22Å; E128-S132 PolarHBondContact O-OG 2.98Å |
| 129 | L | 93.8 | Very high | 93 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.9 | -41.4 | -179.8 | -168.6 | 60.2 | 0 | 0 | 0 | 111.2 | L57 T60 Y61 Y64 A124 T126 R131 S132 L133 | L57-L129 HydrophobicContact CD1-CD1 4.2Å; T60-L129 HydrophobicContact CG2-CD1 4.27Å; Y61-L129 HydrophobicContact CD2-CD1 3.75Å; Y61-L129 HydrophobicContact CD2-CD2 3.62Å; Y61-L129 HydrophobicContact CD2-CG 3.98Å; Y61-L129 HydrophobicContact CE2-CD2 3.82Å; Y61-L129 HydrophobicContact CE2-CG 4.48Å; Y61-L129 HydrophobicContact CG-CD1 4.36Å; Y64-L129 HydrophobicContact CD1-CD2 3.77Å; Y64-L129 HydrophobicContact CE1-CD2 4.3Å; Y64-L129 HydrophobicContact CG-CD2 4.08Å; A124-L129 HydrophobicContact CB-CB 4.49Å; A124-L129 HydrophobicContact CB-CD2 4.41Å; A124-L129 HydrophobicContact CB-CG 4.37Å; T126-L129 PolarHBondContact O-N 3.14Å; T126-L129 WeakPolarHBondContact OG1-CB 3.2Å; T126-L129 PolarHBondContact OG1-N 2.86Å; T126-L129 VanDerWaalsContact OG1-N 3.16Å; L129-R131 VanDerWaalsContact C-N 3.34Å; L129-R131 PolarHBondContact O-N 3.35Å; L129-S132 PolarHBondContact O-N 3.14Å; L129-L133 HydrophobicContact CG-CD1 3.94Å; L129-L133 VanDerWaalsContact O-CB 3.32Å; L129-L133 WeakPolarHBondContact O-CB 3.43Å; L129-L133 WeakPolarHBondContact O-CG 3.33Å; L129-L133 PolarHBondContact O-N 3.03Å |
| 130 | R | 95.3 | Very high | 93.4 | Very high | 109 Ų | 109 | 56.6 Ų | 56.6 | 41% | 0.411 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60 | -42.2 | 174.5 | -166.5 | -179.2 | -58.5 | 118.8 | 6.1 | 112.2 | N121 A124 T126 E128 A134 | N121-R130 WeakPolarHBondContact OD1-CA 3.34Å; N121-R130 WeakPolarHBondContact OD1-CG 3.48Å; N121-R130 PolarHBondContact OD1-O 2.95Å; A124-R130 HydrophobicContact CB-CB 4.13Å; A124-R130 PolarHBondContact O-NH2 3.04Å; T126-R130 WeakPolarHBondContact O-CB 3.46Å; T126-R130 PolarHBondContact O-N 2.96Å; E128-R130 VanDerWaalsContact C-N 3.29Å; E128-R130 PolarHBondContact O-N 3.41Å; R130-A134 WeakPolarHBondContact O-CB 3.4Å; R130-A134 PolarHBondContact O-N 3.24Å |
| 131 | R | 95.9 | Very high | 93.8 | Very high | 164 Ų | 164 | 61.3 Ų | 61.3 | 62% | 0.619 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -65.2 | -45.8 | 177 | -169.6 | -175.1 | -57.3 | 102.4 | 0.7 | 111.3 | A127 E128 L129 A134 H135 | A127-R131 WeakPolarHBondContact O-CB 3.27Å; A127-R131 PolarHBondContact O-N 2.97Å; E128-R131 WeakPolarHBondContact O-CB 3.43Å; E128-R131 PolarHBondContact O-N 2.93Å; E128-R131 VanDerWaalsContact O-N 3.1Å; L129-R131 VanDerWaalsContact C-N 3.34Å; L129-R131 PolarHBondContact O-N 3.35Å; R131-A134 PolarHBondContact O-N 2.87Å; R131-H135 WeakPolarHBondContact O-CB 3.28Å; R131-H135 PolarHBondContact O-N 3.05Å |
| 132 | S | 95.4 | Very high | 94.1 | Very high | 44 Ų | 44 | 61.4 Ų | 61.4 | 31% | 0.308 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.3 | -43.6 | 179.2 | -63.4 | 0 | 0 | 0 | 0 | 112.1 | E128 L129 H135 F136 | E128-S132 PolarHBondContact O-N 3.22Å; E128-S132 PolarHBondContact O-OG 2.98Å; L129-S132 PolarHBondContact O-N 3.14Å; S132-H135 PolarHBondContact O-N 3.28Å; S132-F136 WeakPolarHBondContact O-CB 3.1Å; S132-F136 PolarHBondContact O-N 3.14Å |
| 133 | L | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.2 | -44.5 | 174.5 | -77.6 | 166.2 | 0 | 0 | 0 | 112 | L57 Y61 L117 L120 N121 A124 L129 F136 C137 | L57-L133 HydrophobicContact CD1-CD2 4.01Å; L57-L133 HydrophobicContact CD1-CG 4.01Å; L57-L133 HydrophobicContact CD2-CD2 3.98Å; L57-L133 HydrophobicContact CG-CD2 4.47Å; Y61-L133 HydrophobicContact CD2-CD1 4.38Å; Y61-L133 HydrophobicContact CE2-CD1 4.38Å; L117-L133 HydrophobicContact CD2-CD2 4.32Å; L120-L133 HydrophobicContact CD2-CD1 4.44Å; L120-L133 HydrophobicContact CD2-CD2 3.92Å; L120-L133 HydrophobicContact CG-CD1 4.23Å; L120-L133 HydrophobicContact CG-CD2 4.46Å; N121-L133 HydrophobicContact CB-CB 3.93Å; N121-L133 HydrophobicContact CB-CD1 4.44Å; N121-L133 VanDerWaalsContact OD1-CB 3.32Å; N121-L133 WeakPolarHBondContact OD1-CB 3.46Å; A124-L133 HydrophobicContact CB-CD1 3.85Å; L129-L133 HydrophobicContact CG-CD1 3.94Å; L129-L133 VanDerWaalsContact O-CB 3.32Å; L129-L133 WeakPolarHBondContact O-CB 3.43Å; L129-L133 WeakPolarHBondContact O-CG 3.33Å; L129-L133 PolarHBondContact O-N 3.03Å; L133-F136 PolarHBondContact O-N 2.94Å; L133-C137 WeakPolarHBondContact O-CB 3.44Å; L133-C137 PolarHBondContact O-N 2.85Å; L133-C137 PolarHBondContact O-SG 3.46Å |
| 134 | A | 97.3 | Very high | 95.1 | Very high | 37 Ų | 37 | 48.6 Ų | 48.6 | 31% | 0.306 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R130 R131 C137 T138 | R130-A134 WeakPolarHBondContact O-CB 3.4Å; R130-A134 PolarHBondContact O-N 3.24Å; R131-A134 PolarHBondContact O-N 2.87Å; A134-C137 PolarHBondContact O-N 3.27Å; A134-T138 PolarHBondContact O-N 3.16Å; A134-T138 VanDerWaalsContact O-N 3.08Å; A134-T138 PolarHBondContact O-OG1 3.19Å |
| 135 | H | 97.5 | Very high | 95.7 | Very high | 85 Ų | 85 | 50.6 Ų | 50.6 | 39% | 0.394 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.3 | -51.8 | 173.8 | -179.1 | -80.4 | 0 | 0 | 0 | 110.4 | Y49 Q53 R131 S132 C137 T138 S139 | Y49-H135 PolarHBondContact OH-CE1 3.33Å; Y49-H135 VanDerWaalsContact OH-CE1 3.27Å; Q53-H135 PolarHBondContact NE2-CE1 2.97Å; Q53-H135 PolarHBondContact NE2-ND1 2.81Å; Q53-H135 PolarHBondContact OE1-CE1 2.98Å; Q53-H135 PolarHBondContact OE1-ND1 3.38Å; Q53-H135 VanDerWaalsContact OE1-ND1 3.08Å; R131-H135 WeakPolarHBondContact O-CB 3.28Å; R131-H135 PolarHBondContact O-N 3.05Å; S132-H135 PolarHBondContact O-N 3.28Å; H135-C137 VanDerWaalsContact C-N 3.35Å; H135-C137 PolarHBondContact O-N 2.86Å; H135-T138 WeakPolarHBondContact O-CB 3.41Å; H135-T138 PolarHBondContact O-N 3.4Å; H135-T138 VanDerWaalsContact O-N 3.12Å; H135-S139 PolarHBondContact CE1-OG 3.46Å; H135-S139 PolarHBondContact O-N 3.31Å; H135-S139 PolarHBondContact O-OG 2.93Å |
| 136 | F | 98.2 | Very high | 96.6 | Very high | 3 Ų | 3 | 48.5 Ų | 48.5 | 1% | 0.013 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.8 | -42.6 | 179.6 | -170.3 | -84.7 | 0 | 0 | 0 | 112.4 | L50 Q53 L54 L57 L117 S132 L133 T138 S139 L140 L191 L195 | L50-F136 HydrophobicContact CB-CE2 4.44Å; L50-F136 HydrophobicContact CD2-CD2 3.99Å; L50-F136 HydrophobicContact CD2-CE1 4.34Å; L50-F136 HydrophobicContact CD2-CE2 3.6Å; L50-F136 HydrophobicContact CD2-CZ 3.8Å; Q53-F136 HydrophobicContact CB-CD2 4.01Å; Q53-F136 HydrophobicContact CB-CE2 4.19Å; L54-F136 HydrophobicContact CB-CE2 3.71Å; L54-F136 HydrophobicContact CB-CZ 4.06Å; L54-F136 HydrophobicContact CD1-CE2 4.3Å; L54-F136 HydrophobicContact CD1-CZ 4.18Å; L57-F136 HydrophobicContact CD2-CB 3.8Å; L57-F136 HydrophobicContact CD2-CD1 4.21Å; L57-F136 HydrophobicContact CD2-CD2 4Å; L57-F136 HydrophobicContact CD2-CG 3.71Å; L117-F136 HydrophobicContact CD1-CD1 3.94Å; L117-F136 HydrophobicContact CD1-CE1 3.83Å; S132-F136 WeakPolarHBondContact O-CB 3.1Å; S132-F136 PolarHBondContact O-N 3.14Å; L133-F136 PolarHBondContact O-N 2.94Å; F136-T138 VanDerWaalsContact C-N 3.31Å; F136-T138 PolarHBondContact O-N 3.26Å; F136-S139 PolarHBondContact O-N 2.73Å; F136-L140 HydrophobicContact CE1-CB 4.3Å; F136-L140 HydrophobicContact CE1-CD2 4.23Å; F136-L140 WeakPolarHBondContact O-CB 3.43Å; F136-L140 PolarHBondContact O-N 2.92Å; F136-L191 HydrophobicContact CE1-CD1 4.44Å; F136-L191 HydrophobicContact CE1-CD2 3.59Å; F136-L191 HydrophobicContact CE1-CG 4.4Å; F136-L191 HydrophobicContact CZ-CD2 3.8Å; F136-L191 HydrophobicContact CZ-CG 4.37Å; F136-L195 HydrophobicContact CZ-CD1 4.31Å |
| 137 | C | 98.1 | Very high | 96.9 | Very high | 8 Ų | 8 | 45.9 Ų | 45.9 | 5% | 0.054 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.7 | -41.8 | 175.3 | -72 | 0 | 0 | 0 | 0 | 112.1 | L114 R118 L133 A134 H135 L140 Q141 | L114-C137 HydrophobicContact CD1-CB 3.98Å; L114-C137 WeakPolarHBondContact CD1-O 2.83Å; R118-C137 HydrophobicContact CG-CB 4.48Å; L133-C137 WeakPolarHBondContact O-CB 3.44Å; L133-C137 PolarHBondContact O-N 2.85Å; L133-C137 PolarHBondContact O-SG 3.46Å; A134-C137 PolarHBondContact O-N 3.27Å; H135-C137 VanDerWaalsContact C-N 3.35Å; H135-C137 PolarHBondContact O-N 2.86Å; C137-L140 PolarHBondContact O-N 2.91Å; C137-Q141 WeakPolarHBondContact O-CB 3.44Å; C137-Q141 PolarHBondContact O-N 3.4Å |
| 138 | T | 98.3 | Very high | 97.1 | Very high | 97 Ų | 97 | 44 Ų | 44 | 60% | 0.595 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -63.8 | -46.6 | 177.3 | -57.6 | 0 | 0 | 0 | 0 | 111 | A134 H135 F136 L140 Q141 G142 | A134-T138 PolarHBondContact O-N 3.16Å; A134-T138 VanDerWaalsContact O-N 3.08Å; A134-T138 PolarHBondContact O-OG1 3.19Å; H135-T138 WeakPolarHBondContact O-CB 3.41Å; H135-T138 PolarHBondContact O-N 3.4Å; H135-T138 VanDerWaalsContact O-N 3.12Å; F136-T138 VanDerWaalsContact C-N 3.31Å; F136-T138 PolarHBondContact O-N 3.26Å; T138-L140 PolarHBondContact O-N 3.45Å; T138-Q141 PolarHBondContact O-N 3.12Å; T138-G142 PolarHBondContact O-N 3.1Å |
| 139 | S | 98.3 | Very high | 97.3 | Very high | 18 Ų | 18 | 39.9 Ų | 39.9 | 13% | 0.126 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.5 | -40.2 | 177.4 | -59.9 | 0 | 0 | 0 | 0 | 112.1 | H135 F136 G142 L143 | H135-S139 PolarHBondContact CE1-OG 3.46Å; H135-S139 PolarHBondContact O-N 3.31Å; H135-S139 PolarHBondContact O-OG 2.93Å; F136-S139 PolarHBondContact O-N 2.73Å; S139-G142 WeakPolarHBondContact O-CA 3.42Å; S139-G142 PolarHBondContact O-N 3.38Å; S139-L143 PolarHBondContact O-N 2.96Å |
| 140 | L | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.7 | -38.4 | 177 | -170.3 | 66.5 | 0 | 0 | 0 | 112.2 | L50 Y110 L114 L117 F136 C137 T138 G142 L143 L144 L191 | L50-L140 HydrophobicContact CD1-CD1 4.05Å; Y110-L140 HydrophobicContact CD1-CD1 3.62Å; Y110-L140 HydrophobicContact CD1-CG 4.49Å; Y110-L140 HydrophobicContact CE1-CD1 4Å; Y110-L140 HydrophobicContact CG-CD1 4.29Å; L114-L140 HydrophobicContact CB-CD2 3.98Å; L114-L140 HydrophobicContact CD1-CB 4.34Å; L114-L140 HydrophobicContact CD1-CD2 4.19Å; L117-L140 HydrophobicContact CD1-CD2 3.57Å; F136-L140 HydrophobicContact CE1-CB 4.3Å; F136-L140 HydrophobicContact CE1-CD2 4.23Å; F136-L140 WeakPolarHBondContact O-CB 3.43Å; F136-L140 PolarHBondContact O-N 2.92Å; C137-L140 PolarHBondContact O-N 2.91Å; T138-L140 PolarHBondContact O-N 3.45Å; L140-G142 VanDerWaalsContact C-N 3.3Å; L140-G142 PolarHBondContact O-N 2.87Å; L140-L143 HydrophobicContact CD1-CD2 4.24Å; L140-L143 WeakPolarHBondContact O-CB 3.49Å; L140-L143 PolarHBondContact O-N 3.28Å; L140-L143 VanDerWaalsContact O-N 3.15Å; L140-L144 PolarHBondContact O-N 3.47Å; L140-L191 HydrophobicContact CD1-CD1 4.38Å; L140-L191 HydrophobicContact CD2-CD1 4.16Å |
| 141 | Q | 98.3 | Very high | 97.5 | Very high | 101 Ų | 101 | 34.7 Ų | 34.7 | 47% | 0.472 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.7 | -39.4 | 171.1 | -178.3 | 176.4 | -12.6 | 0 | 0 | 111.6 | L114 C137 T138 L143 L144 G145 | L114-Q141 HydrophobicContact CD2-CB 3.93Å; L114-Q141 HydrophobicContact CD2-CG 4.4Å; C137-Q141 WeakPolarHBondContact O-CB 3.44Å; C137-Q141 PolarHBondContact O-N 3.4Å; T138-Q141 PolarHBondContact O-N 3.12Å; Q141-L143 VanDerWaalsContact C-N 3.31Å; Q141-L143 PolarHBondContact O-N 3.15Å; Q141-L144 PolarHBondContact O-N 3.47Å; Q141-G145 PolarHBondContact O-N 3Å |
| 142 | G | 98.3 | Very high | 97.5 | Very high | 33 Ų | 33 | 30.4 Ų | 30.4 | 34% | 0.34 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61 | -37.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | T138 S139 L140 S146 | T138-G142 PolarHBondContact O-N 3.1Å; S139-G142 WeakPolarHBondContact O-CA 3.42Å; S139-G142 PolarHBondContact O-N 3.38Å; L140-G142 VanDerWaalsContact C-N 3.3Å; L140-G142 PolarHBondContact O-N 2.87Å; G142-S146 WeakPolarHBondContact O-CB 3.38Å; G142-S146 PolarHBondContact O-N 3.18Å; G142-S146 PolarHBondContact O-OG 3.09Å |
| 143 | L | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.3 | -47.2 | 173.5 | 177.6 | 63.6 | 0 | 0 | 0 | 110.8 | T43 L46 T47 L50 Y110 S139 L140 Q141 G145 S146 I147 L195 | T43-L143 HydrophobicContact CG2-CD1 3.78Å; L46-L143 HydrophobicContact CD2-CB 4.01Å; L46-L143 HydrophobicContact CG-CB 4.2Å; L46-L143 HydrophobicContact CG-CD1 4.42Å; T47-L143 WeakPolarHBondContact OG1-CD1 3.34Å; L50-L143 HydrophobicContact CD1-CB 3.67Å; L50-L143 HydrophobicContact CD1-CD2 3.67Å; L50-L143 HydrophobicContact CD1-CG 4.23Å; Y110-L143 HydrophobicContact CD2-CD2 4.09Å; Y110-L143 HydrophobicContact CE1-CD2 4.25Å; Y110-L143 HydrophobicContact CE2-CD2 3.75Å; S139-L143 PolarHBondContact O-N 2.96Å; L140-L143 HydrophobicContact CD1-CD2 4.24Å; L140-L143 WeakPolarHBondContact O-CB 3.49Å; L140-L143 PolarHBondContact O-N 3.28Å; L140-L143 VanDerWaalsContact O-N 3.15Å; Q141-L143 VanDerWaalsContact C-N 3.31Å; Q141-L143 PolarHBondContact O-N 3.15Å; L143-G145 VanDerWaalsContact C-N 3.3Å; L143-G145 PolarHBondContact O-N 2.99Å; L143-S146 WeakPolarHBondContact O-CA 3.41Å; L143-S146 WeakPolarHBondContact O-CB 3.41Å; L143-S146 PolarHBondContact O-N 3.34Å; L143-I147 HydrophobicContact CD1-CD1 4.24Å; L143-I147 HydrophobicContact CD1-CG1 4.27Å; L143-I147 HydrophobicContact CG-CD1 3.99Å; L143-I147 HydrophobicContact CG-CG1 4.42Å; L143-I147 WeakPolarHBondContact O-CG1 3.36Å; L143-I147 PolarHBondContact O-N 3.07Å; L143-L195 HydrophobicContact CD2-CD2 4.16Å |
| 144 | L | 97.6 | Very high | 97.3 | Very high | 23 Ų | 23 | 32.5 Ų | 32.5 | 12% | 0.12 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.4 | -43.7 | 178.5 | -166.5 | 72.5 | 0 | 0 | 0 | 111.9 | Y107 S111 L140 Q141 I147 A148 | Y107-L144 HydrophobicContact CD2-CD1 3.58Å; Y107-L144 HydrophobicContact CD2-CG 4.02Å; Y107-L144 HydrophobicContact CE2-CD1 3.75Å; Y107-L144 HydrophobicContact CE2-CD2 4.39Å; Y107-L144 HydrophobicContact CE2-CG 3.7Å; Y107-L144 HydrophobicContact CG-CD1 4.06Å; Y107-L144 VanDerWaalsContact O-CD1 3.26Å; Y107-L144 WeakPolarHBondContact O-CD1 3.43Å; S111-L144 WeakPolarHBondContact OG-CD1 3.42Å; L140-L144 PolarHBondContact O-N 3.47Å; Q141-L144 PolarHBondContact O-N 3.47Å; L144-I147 PolarHBondContact O-N 3.32Å; L144-A148 PolarHBondContact O-N 3.06Å |
| 145 | G | 97.6 | Very high | 97.2 | Very high | 47 Ų | 47 | 33.7 Ų | 33.7 | 49% | 0.485 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.9 | -36.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q141 L143 A148 G149 | Q141-G145 PolarHBondContact O-N 3Å; L143-G145 VanDerWaalsContact C-N 3.3Å; L143-G145 PolarHBondContact O-N 2.99Å; G145-A148 PolarHBondContact O-N 3.49Å; G145-G149 PolarHBondContact O-N 3.29Å |
| 146 | S | 98.1 | Very high | 97.1 | Very high | 17 Ų | 17 | 32.6 Ų | 32.6 | 12% | 0.119 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.6 | -40.6 | 176.2 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | T43 G142 L143 G149 V150 | T43-S146 WeakPolarHBondContact OG1-CB 3.45Å; G142-S146 WeakPolarHBondContact O-CB 3.38Å; G142-S146 PolarHBondContact O-N 3.18Å; G142-S146 PolarHBondContact O-OG 3.09Å; L143-S146 WeakPolarHBondContact O-CA 3.41Å; L143-S146 WeakPolarHBondContact O-CB 3.41Å; L143-S146 PolarHBondContact O-N 3.34Å; S146-G149 PolarHBondContact O-N 2.92Å; S146-V150 WeakPolarHBondContact O-CG2 3.43Å; S146-V150 PolarHBondContact O-N 3Å |
| 147 | I | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.1 | -46.8 | 173.3 | -65.3 | 172.3 | 0 | 0 | 0 | 110.5 | T43 L103 N106 Y107 Y110 L143 L144 G149 V150 M151 F202 | T43-I147 HydrophobicContact CG2-CG1 3.85Å; L103-I147 HydrophobicContact CD2-CG2 4.33Å; N106-I147 HydrophobicContact CB-CD1 4.2Å; Y107-I147 HydrophobicContact CD2-CG2 4.19Å; Y110-I147 HydrophobicContact CD2-CD1 3.62Å; Y110-I147 HydrophobicContact CE2-CD1 3.96Å; L143-I147 HydrophobicContact CD1-CD1 4.24Å; L143-I147 HydrophobicContact CD1-CG1 4.27Å; L143-I147 HydrophobicContact CG-CD1 3.99Å; L143-I147 HydrophobicContact CG-CG1 4.42Å; L143-I147 WeakPolarHBondContact O-CG1 3.36Å; L143-I147 PolarHBondContact O-N 3.07Å; L144-I147 PolarHBondContact O-N 3.32Å; I147-G149 VanDerWaalsContact C-N 3.27Å; I147-G149 PolarHBondContact O-N 3.37Å; I147-V150 PolarHBondContact O-N 3.46Å; I147-V150 VanDerWaalsContact O-N 3.15Å; I147-M151 HydrophobicContact CG2-CG 4.4Å; I147-M151 HydrophobicContact CG2-SD 4.2Å; I147-M151 WeakPolarHBondContact O-CG 3.35Å; I147-M151 PolarHBondContact O-N 3.21Å; I147-F202 HydrophobicContact CD1-CZ 3.96Å; I147-F202 HydrophobicContact CG1-CE1 4.39Å; I147-F202 HydrophobicContact CG1-CZ 3.71Å |
| 148 | A | 97.1 | Very high | 96.7 | Very high | 19 Ų | 19 | 39.7 Ų | 39.7 | 16% | 0.157 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.1 | -42.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y107 L144 G145 M151 A152 L158 | Y107-A148 HydrophobicContact CE2-CB 4Å; L144-A148 PolarHBondContact O-N 3.06Å; G145-A148 PolarHBondContact O-N 3.49Å; A148-M151 PolarHBondContact O-N 3.49Å; A148-A152 WeakPolarHBondContact O-CB 3.48Å; A148-A152 PolarHBondContact O-N 3.48Å; A148-L158 HydrophobicContact CB-CD1 4.15Å; A148-L158 HydrophobicContact CB-CD2 3.83Å; A148-L158 HydrophobicContact CB-CG 4.48Å |
| 149 | G | 96.2 | Very high | 96.3 | Very high | 32 Ų | 32 | 36.3 Ų | 36.3 | 33% | 0.33 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G145 S146 I147 A152 A153 | G145-G149 PolarHBondContact O-N 3.29Å; S146-G149 PolarHBondContact O-N 2.92Å; I147-G149 VanDerWaalsContact C-N 3.27Å; I147-G149 PolarHBondContact O-N 3.37Å; G149-A152 PolarHBondContact O-N 3.33Å; G149-A153 WeakPolarHBondContact O-CB 3.48Å; G149-A153 PolarHBondContact O-N 3.39Å |
| 150 | V | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 174.2 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | S39 I40 T43 L103 S146 I147 A153 L154 L205 | S39-V150 WeakPolarHBondContact OG-CG2 3.39Å; I40-V150 HydrophobicContact CG1-CG1 3.87Å; I40-V150 HydrophobicContact CG1-CG2 4.09Å; T43-V150 WeakPolarHBondContact OG1-CG2 3.47Å; L103-V150 HydrophobicContact CD1-CG1 4.15Å; L103-V150 HydrophobicContact CD2-CG1 4.02Å; S146-V150 WeakPolarHBondContact O-CG2 3.43Å; S146-V150 PolarHBondContact O-N 3Å; I147-V150 PolarHBondContact O-N 3.46Å; I147-V150 VanDerWaalsContact O-N 3.15Å; V150-A153 PolarHBondContact O-N 2.83Å; V150-L154 HydrophobicContact CG1-CD1 3.85Å; V150-L154 WeakPolarHBondContact O-CB 3.31Å; V150-L154 VanDerWaalsContact O-CG 3.32Å; V150-L154 WeakPolarHBondContact O-CG 3.44Å; V150-L154 PolarHBondContact O-N 2.98Å; V150-L154 VanDerWaalsContact O-N 3.08Å; V150-L205 HydrophobicContact CG1-CD2 3.98Å |
| 151 | M | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60 | -47.3 | 176.7 | -71.4 | -176.6 | 71.7 | 0 | 0 | 111.2 | L103 I147 A148 A153 L154 G155 Y156 P157 L158 | L103-M151 HydrophobicContact CB-CG 3.73Å; L103-M151 HydrophobicContact CB-SD 4.03Å; L103-M151 HydrophobicContact CD1-CG 4.16Å; L103-M151 HydrophobicContact CD2-CG 4.5Å; L103-M151 HydrophobicContact CG-CG 4.35Å; I147-M151 HydrophobicContact CG2-CG 4.4Å; I147-M151 HydrophobicContact CG2-SD 4.2Å; I147-M151 WeakPolarHBondContact O-CG 3.35Å; I147-M151 PolarHBondContact O-N 3.21Å; A148-M151 PolarHBondContact O-N 3.49Å; M151-A153 PolarHBondContact O-N 3.24Å; M151-L154 CarbonylContact O-C 3.55Å; M151-L154 PolarHBondContact O-N 2.85Å; M151-G155 PolarHBondContact O-N 3.15Å; M151-G155 VanDerWaalsContact O-N 3.14Å; M151-Y156 CarbonylContact C-O 3.48Å; M151-Y156 PolarHBondContact O-N 3.04Å; M151-P157 VanDerWaalsContact CE-O 3.22Å; M151-P157 WeakPolarHBondContact CE-O 3.08Å; M151-L158 HydrophobicContact SD-CD2 3.93Å |
| 152 | A | 95.4 | Very high | 93.1 | Very high | 74 Ų | 74 | 48.5 Ų | 48.5 | 61% | 0.612 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -60 | -46.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A148 G149 L154 G155 | A148-A152 WeakPolarHBondContact O-CB 3.48Å; A148-A152 PolarHBondContact O-N 3.48Å; G149-A152 PolarHBondContact O-N 3.33Å; A152-L154 PolarHBondContact O-N 3.48Å; A152-G155 PolarHBondContact O-N 3.3Å |
| 153 | A | 93.8 | Very high | 91.8 | Very high | 52 Ų | 52 | 53.1 Ų | 53.1 | 43% | 0.43 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.1 | -25.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | P36 G149 V150 M151 | P36-A153 HydrophobicContact CB-CB 4.08Å; G149-A153 WeakPolarHBondContact O-CB 3.48Å; G149-A153 PolarHBondContact O-N 3.39Å; V150-A153 PolarHBondContact O-N 2.83Å; M151-A153 PolarHBondContact O-N 3.24Å |
| 154 | L | 93.7 | Very high | 90.3 | Very high | 35 Ų | 35 | 57 Ų | 57 | 18% | 0.183 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 2.7 | 176.1 | -65.2 | 175.1 | 0 | 0 | 0 | 113.4 | P36 L103 V150 M151 A152 Y156 L205 M209 | P36-L154 HydrophobicContact CB-CD2 3.82Å; P36-L154 HydrophobicContact CB-CG 4.23Å; P36-L154 HydrophobicContact CG-CD2 3.64Å; L103-L154 HydrophobicContact CD1-CD1 3.85Å; V150-L154 HydrophobicContact CG1-CD1 3.85Å; V150-L154 WeakPolarHBondContact O-CB 3.31Å; V150-L154 VanDerWaalsContact O-CG 3.32Å; V150-L154 WeakPolarHBondContact O-CG 3.44Å; V150-L154 PolarHBondContact O-N 2.98Å; V150-L154 VanDerWaalsContact O-N 3.08Å; M151-L154 CarbonylContact O-C 3.55Å; M151-L154 PolarHBondContact O-N 2.85Å; A152-L154 PolarHBondContact O-N 3.48Å; L154-Y156 VanDerWaalsContact C-N 3.28Å; L154-Y156 HydrophobicContact CB-CD2 3.75Å; L154-Y156 HydrophobicContact CB-CE2 3.68Å; L154-Y156 HydrophobicContact CB-CG 4.26Å; L154-Y156 HydrophobicContact CD1-CD2 4.25Å; L154-Y156 HydrophobicContact CD1-CE2 3.81Å; L154-Y156 HydrophobicContact CG-CE2 4.38Å; L154-Y156 PolarHBondContact O-N 3.26Å; L154-L205 HydrophobicContact CD1-CD1 4.28Å; L154-L205 HydrophobicContact CD1-CD2 4.06Å; L154-M209 HydrophobicContact CD1-CE 4.43Å; L154-M209 HydrophobicContact CD2-CE 3.49Å; L154-M209 VanDerWaalsContact CD2-CE 3.49Å; L154-M209 HydrophobicContact CD2-SD 4.42Å |
| 155 | G | 95 | Very high | 88.9 | Confident | 63 Ų | 63 | 59.3 Ų | 59.3 | 65% | 0.649 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | 21.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | M151 A152 | M151-G155 PolarHBondContact O-N 3.15Å; M151-G155 VanDerWaalsContact O-N 3.14Å; A152-G155 PolarHBondContact O-N 3.3Å |
| 156 | Y | 96 | Very high | 87.6 | Confident | 61 Ų | 61 | 62.4 Ų | 62.4 | 24% | 0.239 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -91.7 | 124.4 | 175.7 | -58 | -30.2 | 0 | 0 | 0 | 110.4 | D99 K100 L103 M151 L154 | D99-Y156 HydrophobicContact CB-CE2 4.36Å; K100-Y156 HydrophobicContact CB-CD1 4.02Å; K100-Y156 HydrophobicContact CB-CD2 4.06Å; K100-Y156 HydrophobicContact CB-CE1 3.99Å; K100-Y156 HydrophobicContact CB-CE2 4.01Å; K100-Y156 HydrophobicContact CB-CG 4.07Å; K100-Y156 HydrophobicContact CD-CD1 4.13Å; K100-Y156 HydrophobicContact CG-CD1 4.03Å; K100-Y156 HydrophobicContact CG-CD2 4.36Å; K100-Y156 HydrophobicContact CG-CE1 4.48Å; K100-Y156 HydrophobicContact CG-CG 3.98Å; L103-Y156 HydrophobicContact CD1-CD2 3.71Å; L103-Y156 HydrophobicContact CD1-CE2 3.87Å; M151-Y156 CarbonylContact C-O 3.48Å; M151-Y156 PolarHBondContact O-N 3.04Å; L154-Y156 VanDerWaalsContact C-N 3.28Å; L154-Y156 HydrophobicContact CB-CD2 3.75Å; L154-Y156 HydrophobicContact CB-CE2 3.68Å; L154-Y156 HydrophobicContact CB-CG 4.26Å; L154-Y156 HydrophobicContact CD1-CD2 4.25Å; L154-Y156 HydrophobicContact CD1-CE2 3.81Å; L154-Y156 HydrophobicContact CG-CE2 4.38Å; L154-Y156 PolarHBondContact O-N 3.26Å |
| 157 | P | 94.4 | Very high | 86.2 | Confident | 84 Ų | 84 | 63.1 Ų | 63.1 | 55% | 0.545 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 144 | 176.6 | 29 | -34.5 | 0 | 0 | 0 | 110.1 | M151 | M151-P157 VanDerWaalsContact CE-O 3.22Å; M151-P157 WeakPolarHBondContact CE-O 3.08Å |
| 158 | L | 93.4 | Very high | 84.9 | Confident | 76 Ų | 76 | 67.2 Ų | 67.2 | 40% | 0.398 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 142.4 | 170.3 | -79.2 | 174.9 | 0 | 0 | 0 | 110.1 | Y107 A148 M151 Q160 | Y107-L158 HydrophobicContact CD1-CD2 4.25Å; Y107-L158 HydrophobicContact CD2-CD2 3.78Å; Y107-L158 HydrophobicContact CE1-CD2 4.02Å; Y107-L158 HydrophobicContact CE2-CD2 3.54Å; Y107-L158 HydrophobicContact CG-CD2 4.13Å; A148-L158 HydrophobicContact CB-CD1 4.15Å; A148-L158 HydrophobicContact CB-CD2 3.83Å; A148-L158 HydrophobicContact CB-CG 4.48Å; M151-L158 HydrophobicContact SD-CD2 3.93Å; L158-Q160 PolarHBondContact O-N 3.46Å |
| 159 | P | 90.4 | Very high | 83.7 | Confident | 26 Ų | 26 | 68.4 Ų | 68.4 | 17% | 0.169 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 129 | 173.8 | -19 | 34 | 0 | 0 | 0 | 109.2 | T104 Y107 E108 | T104-P159 HydrophobicContact CG2-CB 4.35Å; T104-P159 HydrophobicContact CG2-CG 3.71Å; Y107-P159 HydrophobicContact CD1-CG 3.97Å; E108-P159 HydrophobicContact CG-CB 3.96Å; E108-P159 HydrophobicContact CG-CG 4.02Å; E108-P159 WeakPolarHBondContact OE1-CB 3.26Å |
| 160 | Q | 81.7 | Confident | 82.2 | Confident | 174 Ų | 174 | 71.2 Ų | 71.2 | 81% | 0.813 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -84.1 | 128.3 | 172.7 | -69.6 | -173.3 | -31.9 | 0 | 0 | 108.2 | L158 L162 | L158-Q160 PolarHBondContact O-N 3.46Å; Q160-L162 PolarHBondContact O-N 3.11Å |
| 161 | P | 72.9 | Confident | 80.4 | Confident | 81 Ų | 81 | 74.6 Ų | 74.6 | 53% | 0.526 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 132.2 | 172.3 | -20.9 | 32 | 0 | 0 | 0 | 109.9 | E166 | P161-E166 WeakPolarHBondContact CB-OE1 3.44Å; P161-E166 WeakPolarHBondContact CG-OE1 3.21Å |
| 162 | L | 72.3 | Confident | 78.5 | Confident | 122 Ų | 122 | 75.6 Ų | 75.6 | 64% | 0.639 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -70.7 | 143.7 | 170.8 | -66.4 | 166.6 | 0 | 0 | 0 | 108.5 | Q160 G164 T165 | Q160-L162 PolarHBondContact O-N 3.11Å; L162-G164 PolarHBondContact O-N 3.08Å; L162-G164 VanDerWaalsContact O-N 3.14Å; L162-T165 HydrophobicContact CB-CG2 3.84Å; L162-T165 WeakPolarHBondContact CB-OG1 3.32Å; L162-T165 PolarHBondContact N-OG1 2.65Å; L162-T165 PolarHBondContact O-N 3.27Å; L162-T165 PolarHBondContact O-OG1 3.15Å |
| 163 | P | 71.9 | Confident | 76.4 | Confident | 129 Ų | 129 | 77.5 Ų | 77.5 | 84% | 0.838 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 123.8 | 175.5 | -24.2 | 32.9 | 0 | 0 | 0 | 110.7 | ||
| 164 | G | 67.2 | Low | 74.3 | Confident | 82 Ų | 82 | 80.1 Ų | 80.1 | 85% | 0.845 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.1 | -0.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | L162 | L162-G164 PolarHBondContact O-N 3.08Å; L162-G164 VanDerWaalsContact O-N 3.14Å |
| 165 | T | 68.1 | Low | 72.4 | Confident | 72 Ų | 72 | 82.2 Ų | 82.2 | 44% | 0.442 | 51% | 0.512 | S | S | . | . | trans | -101.9 | 10.8 | 172.1 | 69.9 | 0 | 0 | 0 | 0 | 113 | L162 | L162-T165 HydrophobicContact CB-CG2 3.84Å; L162-T165 WeakPolarHBondContact CB-OG1 3.32Å; L162-T165 PolarHBondContact N-OG1 2.65Å; L162-T165 PolarHBondContact O-N 3.27Å; L162-T165 PolarHBondContact O-OG1 3.15Å | ||
| 166 | E | 69.1 | Low | 71.1 | Confident | 111 Ų | 111 | 82.3 Ų | 82.3 | 52% | 0.519 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -56.2 | 124.1 | 174.5 | -76.5 | -68.6 | 143.2 | 0 | 0 | 109.3 | P161 T168 | P161-E166 WeakPolarHBondContact CB-OE1 3.44Å; P161-E166 WeakPolarHBondContact CG-OE1 3.21Å; E166-T168 PolarHBondContact O-N 2.88Å; E166-T168 PolarHBondContact O-OG1 2.91Å; E166-T168 VanDerWaalsContact O-OG1 3.08Å |
| 167 | P | 69.4 | Low | 70.4 | Confident | 32 Ų | 32 | 85.8 Ų | 85.8 | 21% | 0.208 | 53% | 0.525 | C | S | . | . | trans | -60 | 109.6 | 179.7 | 21 | -29.5 | 0 | 0 | 0 | 108.6 | H112 C115 | H112-P167 HydrophobicContact CB-CB 4.21Å; C115-P167 HydrophobicContact CB-CB 4.02Å; C115-P167 HydrophobicContact CB-CG 4.43Å; C115-P167 PolarHBondContact SG-O 2.76Å | ||
| 168 | T | 71.8 | Confident | 70 | Confident | 87 Ų | 87 | 86.5 Ų | 86.5 | 53% | 0.534 | 52% | 0.52 | S | S | . | . | trans | -113.8 | 112 | 178.6 | -55.6 | 0 | 0 | 0 | 0 | 107.4 | E166 T170 | E166-T168 PolarHBondContact O-N 2.88Å; E166-T168 PolarHBondContact O-OG1 2.91Å; E166-T168 VanDerWaalsContact O-OG1 3.08Å; T168-T170 HydrophobicContact CG2-CG2 3.82Å; T168-T170 PolarHBondContact O-N 3.47Å; T168-T170 VanDerWaalsContact O-N 3.09Å | ||
| 169 | W | 70.6 | Confident | 69.6 | Low | 43 Ų | 43 | 85.6 Ų | 85.6 | 16% | 0.163 | 52% | 0.515 | C | S | . | . | trans | -67 | 110.2 | 165.9 | -179.1 | 83.6 | 0 | 0 | 0 | 107.8 | Y116 Q123 P171 | Y116-W169 AromaticContact CD1-CD1 3.62Å; Q123-W169 VanDerWaalsContact CD-CH2 3.49Å; Q123-W169 VanDerWaalsContact CD-CZ2 3.46Å; Q123-W169 HydrophobicContact CG-CH2 4.12Å; Q123-W169 HydrophobicContact CG-CZ2 4.37Å; Q123-W169 VanDerWaalsContact OE1-CZ2 3.24Å; W169-P171 HydrophobicContact CH2-CB 3.68Å; W169-P171 HydrophobicContact CH2-CG 3.69Å; W169-P171 HydrophobicContact CZ2-CB 4.04Å; W169-P171 HydrophobicContact CZ2-CG 4.46Å; W169-P171 HydrophobicContact CZ3-CB 4.23Å; W169-P171 VanDerWaalsContact CZ3-CD 3.5Å; W169-P171 HydrophobicContact CZ3-CG 3.75Å | ||
| 170 | T | 65.4 | Low | 69.4 | Low | 92 Ų | 92 | 85.9 Ų | 85.9 | 56% | 0.564 | 52% | 0.515 | S | S | * | . | trans | -111.5 | 122 | 170.7 | 49.5 | 0 | 0 | 0 | 0 | 107.2 | T168 G172 | T168-T170 HydrophobicContact CG2-CG2 3.82Å; T168-T170 PolarHBondContact O-N 3.47Å; T168-T170 VanDerWaalsContact O-N 3.09Å; T170-G172 PolarHBondContact O-N 3.22Å | ||
| 171 | P | 59.4 | Low | 69.7 | Low | 71 Ų | 71 | 81.1 Ų | 81.1 | 46% | 0.461 | 49% | 0.491 | S | S | . | . | trans | -61.2 | 124.9 | 166.3 | 19.7 | -19.1 | 0 | 0 | 0 | 106.6 | W169 | W169-P171 HydrophobicContact CH2-CB 3.68Å; W169-P171 HydrophobicContact CH2-CG 3.69Å; W169-P171 HydrophobicContact CZ2-CB 4.04Å; W169-P171 HydrophobicContact CZ2-CG 4.46Å; W169-P171 HydrophobicContact CZ3-CB 4.23Å; W169-P171 VanDerWaalsContact CZ3-CD 3.5Å; W169-P171 HydrophobicContact CZ3-CG 3.75Å | ||
| 172 | G | 56.2 | Low | 70.4 | Confident | 20 Ų | 20 | 77.5 Ų | 77.5 | 21% | 0.206 | 47% | 0.467 | C | S | . | . | trans | -54.9 | 147.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | T170 A174 H175 | T170-G172 PolarHBondContact O-N 3.22Å; G172-A174 PolarHBondContact O-N 3.08Å; G172-H175 WeakPolarHBondContact CA-ND1 3.35Å | ||
| 173 | P | 51.6 | Low | 71.2 | Confident | 114 Ų | 114 | 74.1 Ų | 74.1 | 74% | 0.74 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 111.4 | -179.2 | 20 | -32.6 | 0 | 0 | 0 | 110.6 | H175 | P173-H175 WeakPolarHBondContact CD-CE1 3.34Å; P173-H175 PolarHBondContact O-N 3.09Å; P173-H175 PolarHBondContact O-ND1 3.06Å |
| 174 | A | 49.2 | Very low | 72 | Confident | 107 Ų | 107 | 68.4 Ų | 68.4 | 88% | 0.884 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 31 | 49.8 | -179 | 0 | 0 | 0 | 0 | 0 | 113.2 | G172 | G172-A174 PolarHBondContact O-N 3.08Š|
| 175 | H | 55.3 | Low | 73.2 | Confident | 79 Ų | 79 | 64.9 Ų | 64.9 | 37% | 0.366 | 37% | 0.374 | S | S | . | . | trans | -67.3 | 141.3 | 177.2 | -75.4 | 31.9 | 0 | 0 | 0 | 107.7 | G172 P173 D177 L179 | G172-H175 WeakPolarHBondContact CA-ND1 3.35Å; P173-H175 WeakPolarHBondContact CD-CE1 3.34Å; P173-H175 PolarHBondContact O-N 3.09Å; P173-H175 PolarHBondContact O-ND1 3.06Å; H175-D177 PolarHBondContact O-N 2.87Å; H175-L179 HydrophobicContact CB-CB 4.4Å | ||
| 176 | S | 67.8 | Low | 74.3 | Confident | 65 Ų | 65 | 63.7 Ų | 63.7 | 46% | 0.455 | 36% | 0.361 | S | S | . | . | trans | -53.9 | 139.6 | 169.8 | 63.1 | 0 | 0 | 0 | 0 | 109.1 | F178 L179 Q180 | S176-F178 PolarHBondContact O-N 3.35Å; S176-L179 PolarHBondContact O-N 3.09Å; S176-L179 WeakPolarHBondContact OG-CG 3.31Å; S176-Q180 PolarHBondContact O-N 3.48Å | ||
| 177 | D | 80.9 | Confident | 75.4 | Confident | 134 Ų | 134 | 58.6 Ų | 58.6 | 72% | 0.717 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -47.2 | -32.7 | 178.7 | -67.8 | -16.3 | 0 | 0 | 0 | 112.9 | H175 K181 | H175-D177 PolarHBondContact O-N 2.87Å; D177-K181 VanDerWaalsContact O-CG 3.23Å; D177-K181 WeakPolarHBondContact O-CG 3.49Å; D177-K181 PolarHBondContact O-N 3.01Å; D177-K181 VanDerWaalsContact O-N 3.09Å |
| 178 | F | 85.9 | Confident | 76.6 | Confident | 100 Ų | 100 | 57.3 Ų | 57.3 | 44% | 0.439 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 177.2 | -175.4 | -97.1 | 0 | 0 | 0 | 114.1 | P68 F69 S176 K181 M182 | P68-F178 HydrophobicContact CG-CE2 4.37Å; F69-F178 AromaticContact CE2-CD2 3.92Å; F69-F178 HydrophobicContact CE2-CD2 3.92Å; F69-F178 AromaticContact CE2-CE2 3.76Å; F69-F178 HydrophobicContact CE2-CE2 3.76Å; F69-F178 AromaticContact CZ-CD2 3.78Å; F69-F178 HydrophobicContact CZ-CD2 3.78Å; F69-F178 AromaticContact CZ-CE2 3.54Å; F69-F178 HydrophobicContact CZ-CE2 3.54Å; F69-F178 HydrophobicContact CZ-CZ 4.12Å; S176-F178 PolarHBondContact O-N 3.35Å; F178-K181 PolarHBondContact O-N 3.33Å; F178-M182 PolarHBondContact O-N 3.25Å |
| 179 | L | 84.8 | Confident | 77.6 | Confident | 56 Ų | 56 | 57.1 Ų | 57.1 | 29% | 0.293 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.5 | -40.4 | -179.9 | -70.2 | 175.1 | 0 | 0 | 0 | 111.1 | L79 H175 S176 K181 M182 D183 | L79-L179 HydrophobicContact CD1-CD2 3.78Å; H175-L179 HydrophobicContact CB-CB 4.4Å; S176-L179 PolarHBondContact O-N 3.09Å; S176-L179 WeakPolarHBondContact OG-CG 3.31Å; L179-K181 PolarHBondContact O-N 3.35Å; L179-M182 HydrophobicContact CD2-CE 3.94Å; L179-M182 WeakPolarHBondContact O-CB 3.49Å; L179-M182 PolarHBondContact O-N 3.06Å; L179-M182 VanDerWaalsContact O-N 3.14Å; L179-D183 PolarHBondContact O-N 2.88Å |
| 180 | Q | 85.1 | Confident | 78.7 | Confident | 33 Ų | 33 | 55.7 Ų | 55.7 | 15% | 0.154 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.1 | -45 | 174.2 | -176.4 | 61 | 61.7 | 0 | 0 | 111.3 | S176 M182 D183 D184 | S176-Q180 PolarHBondContact O-N 3.48Å; Q180-M182 PolarHBondContact O-N 2.89Å; Q180-D183 WeakPolarHBondContact O-CB 3.23Å; Q180-D183 PolarHBondContact O-N 3.09Å; Q180-D183 VanDerWaalsContact O-N 3.14Å; Q180-D184 PolarHBondContact NE2-OD1 3Å; Q180-D184 PolarHBondContact O-N 3.01Å |
| 181 | K | 88.4 | Confident | 80.1 | Confident | 73 Ų | 73 | 51.3 Ų | 51.3 | 32% | 0.317 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60 | -33.6 | 175.5 | -71.4 | 177.3 | 179.6 | -173.5 | 0 | 112.6 | L65 F69 D177 F178 L179 F185 | L65-K181 HydrophobicContact CD1-CB 4.14Å; L65-K181 HydrophobicContact CD1-CG 4.48Å; L65-K181 HydrophobicContact CD2-CB 4.3Å; L65-K181 HydrophobicContact CD2-CD 4Å; L65-K181 HydrophobicContact CD2-CG 3.73Å; F69-K181 HydrophobicContact CE1-CB 3.93Å; F69-K181 HydrophobicContact CE2-CB 3.83Å; F69-K181 HydrophobicContact CE2-CD 3.93Å; F69-K181 HydrophobicContact CZ-CB 3.49Å; F69-K181 VanDerWaalsContact CZ-CB 3.49Å; F69-K181 HydrophobicContact CZ-CD 4.41Å; D177-K181 VanDerWaalsContact O-CG 3.23Å; D177-K181 WeakPolarHBondContact O-CG 3.49Å; D177-K181 PolarHBondContact O-N 3.01Å; D177-K181 VanDerWaalsContact O-N 3.09Å; F178-K181 PolarHBondContact O-N 3.33Å; L179-K181 PolarHBondContact O-N 3.35Å; K181-F185 WeakPolarHBondContact O-CB 3.36Å; K181-F185 PolarHBondContact O-N 3.49Å |
| 182 | M | 89 | Confident | 81.9 | Confident | 5 Ų | 5 | 52.6 Ų | 52.6 | 3% | 0.025 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -72.9 | -36.3 | 176.3 | -174.4 | -172.3 | 71.9 | 0 | 0 | 112.3 | F69 P76 L79 F178 L179 Q180 F185 W186 | F69-M182 HydrophobicContact CE1-CB 4.22Å; P76-M182 HydrophobicContact CB-CG 4.11Å; P76-M182 HydrophobicContact CB-SD 4.13Å; P76-M182 HydrophobicContact CG-CG 4.2Å; L79-M182 HydrophobicContact CB-CE 3.59Å; L79-M182 HydrophobicContact CD1-CE 3.51Å; L79-M182 HydrophobicContact CD1-SD 4.33Å; L79-M182 HydrophobicContact CG-CE 3.43Å; L79-M182 VanDerWaalsContact CG-CE 3.43Å; L79-M182 HydrophobicContact CG-SD 4.26Å; F178-M182 PolarHBondContact O-N 3.25Å; L179-M182 HydrophobicContact CD2-CE 3.94Å; L179-M182 WeakPolarHBondContact O-CB 3.49Å; L179-M182 PolarHBondContact O-N 3.06Å; L179-M182 VanDerWaalsContact O-N 3.14Å; Q180-M182 PolarHBondContact O-N 2.89Å; M182-F185 WeakPolarHBondContact O-CB 3.36Å; M182-F185 PolarHBondContact O-N 3.43Å; M182-W186 VanDerWaalsContact O-CD1 3.31Å; M182-W186 PolarHBondContact O-N 3.49Å |
| 183 | D | 87.4 | Confident | 83.7 | Confident | 51 Ų | 51 | 53.9 Ų | 53.9 | 27% | 0.273 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 170.6 | -70 | -24.3 | 0 | 0 | 0 | 111 | L179 Q180 F185 W186 L187 | L179-D183 PolarHBondContact O-N 2.88Å; Q180-D183 WeakPolarHBondContact O-CB 3.23Å; Q180-D183 PolarHBondContact O-N 3.09Å; Q180-D183 VanDerWaalsContact O-N 3.14Å; D183-F185 VanDerWaalsContact C-N 3.33Å; D183-F185 PolarHBondContact O-N 3.11Å; D183-W186 PolarHBondContact O-N 3.46Å; D183-L187 WeakPolarHBondContact O-CB 3.23Å; D183-L187 PolarHBondContact O-N 3.34Å |
| 184 | D | 89.6 | Confident | 85.9 | Confident | 10 Ų | 10 | 48.9 Ų | 48.9 | 5% | 0.053 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.8 | -39.5 | 177 | -60.9 | -20.3 | 0 | 0 | 0 | 111.4 | Y61 L120 Q180 L187 L188 | Y61-D184 HydrophobicContact CE1-CB 3.97Å; Y61-D184 PolarHBondContact OH-OD2 3.14Å; L120-D184 HydrophobicContact CD1-CB 4Å; L120-D184 WeakPolarHBondContact CD1-OD1 3.43Å; L120-D184 VanDerWaalsContact CD1-OD2 3.23Å; L120-D184 WeakPolarHBondContact CD1-OD2 3.46Å; Q180-D184 PolarHBondContact NE2-OD1 3Å; Q180-D184 PolarHBondContact O-N 3.01Å; D184-L187 WeakPolarHBondContact O-CB 3.34Å; D184-L187 PolarHBondContact O-N 2.84Å; D184-L188 WeakPolarHBondContact O-CG 3.16Å; D184-L188 PolarHBondContact O-N 3.44Å; D184-L188 VanDerWaalsContact O-N 3.16Å |
| 185 | F | 91.8 | Very high | 88.3 | Confident | 8 Ų | 8 | 43.8 Ų | 43.8 | 4% | 0.035 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58 | -49.7 | 172.5 | 176.5 | -86.3 | 0 | 0 | 0 | 111.4 | L62 F69 F74 P76 K181 M182 D183 L188 K189 | L62-F185 HydrophobicContact CD2-CD2 3.58Å; L62-F185 HydrophobicContact CD2-CE2 4.2Å; F69-F185 HydrophobicContact CD1-CB 4.15Å; F69-F185 HydrophobicContact CD1-CD2 4.14Å; F69-F185 HydrophobicContact CD1-CG 4.4Å; F69-F185 HydrophobicContact CE1-CB 4.48Å; F74-F185 HydrophobicContact CD1-CD2 4.44Å; F74-F185 AromaticContact CD1-CE2 3.97Å; F74-F185 HydrophobicContact CD1-CE2 3.97Å; F74-F185 HydrophobicContact CD1-CZ 4.21Å; F74-F185 HydrophobicContact CE1-CD2 4.44Å; F74-F185 HydrophobicContact CE1-CE2 4.37Å; P76-F185 HydrophobicContact CG-CD1 3.9Å; P76-F185 HydrophobicContact CG-CE1 3.81Å; P76-F185 HydrophobicContact CG-CZ 4.45Å; K181-F185 WeakPolarHBondContact O-CB 3.36Å; K181-F185 PolarHBondContact O-N 3.49Å; M182-F185 WeakPolarHBondContact O-CB 3.36Å; M182-F185 PolarHBondContact O-N 3.43Å; D183-F185 VanDerWaalsContact C-N 3.33Å; D183-F185 PolarHBondContact O-N 3.11Å; F185-L188 PolarHBondContact O-N 3.32Å; F185-K189 HydrophobicContact CD1-CG 4.3Å; F185-K189 HydrophobicContact CE1-CG 3.99Å; F185-K189 HydrophobicContact CZ-CG 4.39Å; F185-K189 WeakPolarHBondContact O-CG 3.28Å; F185-K189 PolarHBondContact O-N 3.45Å |
| 186 | W | 90.9 | Very high | 90.2 | Very high | 47 Ų | 47 | 46.5 Ų | 46.5 | 18% | 0.178 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.4 | -34 | 179.7 | -83.8 | 112.7 | 0 | 0 | 0 | 112.9 | P76 R78 M182 D183 L188 K189 E190 | P76-W186 VanDerWaalsContact O-CZ2 3.24Å; P76-W186 WeakPolarHBondContact O-CZ2 3.32Å; R78-W186 HydrophobicContact CB-CD2 4.14Å; R78-W186 HydrophobicContact CB-CH2 4.49Å; R78-W186 HydrophobicContact CB-CZ2 3.81Å; R78-W186 HydrophobicContact CG-CD2 4Å; R78-W186 HydrophobicContact CG-CG 4.06Å; M182-W186 VanDerWaalsContact O-CD1 3.31Å; M182-W186 PolarHBondContact O-N 3.49Å; D183-W186 PolarHBondContact O-N 3.46Å; W186-L188 PolarHBondContact O-N 3.16Å; W186-K189 HydrophobicContact CE3-CB 4.19Å; W186-K189 PolarHBondContact O-N 3.04Å; W186-E190 WeakPolarHBondContact O-CB 3.43Å; W186-E190 PolarHBondContact O-N 3.12Å |
| 187 | L | 92.5 | Very high | 91.5 | Very high | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -56.2 | -49.3 | 172.4 | 173.9 | 65.6 | 0 | 0 | 0 | 111.3 | L84 L113 L117 L120 D183 D184 K189 E190 L191 | L84-L187 HydrophobicContact CD1-CB 4.07Å; L84-L187 HydrophobicContact CD2-CD1 3.84Å; L113-L187 HydrophobicContact CD2-CD1 3.55Å; L117-L187 HydrophobicContact CD2-CD2 4.02Å; L117-L187 HydrophobicContact CD2-CG 4.46Å; L117-L187 HydrophobicContact CG-CD2 4.25Å; L120-L187 HydrophobicContact CD2-CD2 4.28Å; D183-L187 WeakPolarHBondContact O-CB 3.23Å; D183-L187 PolarHBondContact O-N 3.34Å; D184-L187 WeakPolarHBondContact O-CB 3.34Å; D184-L187 PolarHBondContact O-N 2.84Å; L187-K189 VanDerWaalsContact C-N 3.34Å; L187-K189 PolarHBondContact O-N 2.84Å; L187-E190 PolarHBondContact O-N 3.08Å; L187-L191 WeakPolarHBondContact O-CB 3.42Å; L187-L191 PolarHBondContact O-N 2.96Å |
| 188 | L | 94.1 | Very high | 92.3 | Very high | 6 Ų | 6 | 37.6 Ų | 37.6 | 3% | 0.031 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.5 | -37.7 | 179.5 | -65.4 | 175.3 | 0 | 0 | 0 | 112.1 | L54 A58 Y61 D184 F185 W186 Q192 | L54-L188 HydrophobicContact CD1-CD2 4.01Å; A58-L188 HydrophobicContact CB-CD1 4.37Å; Y61-L188 HydrophobicContact CD1-CD1 3.62Å; Y61-L188 HydrophobicContact CE1-CD1 4.42Å; Y61-L188 HydrophobicContact CG-CD1 3.93Å; D184-L188 WeakPolarHBondContact O-CG 3.16Å; D184-L188 PolarHBondContact O-N 3.44Å; D184-L188 VanDerWaalsContact O-N 3.16Å; F185-L188 PolarHBondContact O-N 3.32Å; W186-L188 PolarHBondContact O-N 3.16Å; L188-Q192 WeakPolarHBondContact O-CB 3.32Å; L188-Q192 PolarHBondContact O-N 3.38Å |
| 189 | K | 92.8 | Very high | 92.8 | Very high | 83 Ų | 83 | 33.2 Ų | 33.2 | 36% | 0.361 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -68.3 | -44.2 | 177 | -68.8 | -69.5 | -173 | 177 | 0 | 112.9 | F185 W186 L187 Q192 T193 | F185-K189 HydrophobicContact CD1-CG 4.3Å; F185-K189 HydrophobicContact CE1-CG 3.99Å; F185-K189 HydrophobicContact CZ-CG 4.39Å; F185-K189 WeakPolarHBondContact O-CG 3.28Å; F185-K189 PolarHBondContact O-N 3.45Å; W186-K189 HydrophobicContact CE3-CB 4.19Å; W186-K189 PolarHBondContact O-N 3.04Å; L187-K189 VanDerWaalsContact C-N 3.34Å; L187-K189 PolarHBondContact O-N 2.84Å; K189-Q192 WeakPolarHBondContact O-CB 3.47Å; K189-Q192 PolarHBondContact O-N 2.94Å; K189-T193 PolarHBondContact O-N 3.49Å; K189-T193 PolarHBondContact O-OG1 3.41Å |
| 190 | E | 94 | Very high | 93.3 | Very high | 12 Ų | 12 | 34.5 Ų | 34.5 | 6% | 0.056 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.7 | -42.9 | 177.4 | -77.7 | -66.2 | 173.5 | 0 | 0 | 110.9 | R78 A87 W186 L187 Q192 T193 W194 | R78-E190 IonicContact CZ-OE1 3.45Å; R78-E190 IonicContact NH1-OE1 2.66Å; R78-E190 PolarHBondContact NH1-OE1 2.97Å; R78-E190 IonicContact NH2-OE1 3.74Å; A87-E190 PolarHBondContact N-OE2 2.77Å; W186-E190 WeakPolarHBondContact O-CB 3.43Å; W186-E190 PolarHBondContact O-N 3.12Å; L187-E190 PolarHBondContact O-N 3.08Å; E190-Q192 VanDerWaalsContact C-N 3.31Å; E190-Q192 PolarHBondContact O-N 3.01Å; E190-T193 PolarHBondContact O-N 2.91Å; E190-T193 VanDerWaalsContact O-N 3.11Å; E190-W194 WeakPolarHBondContact O-CB 3.35Å; E190-W194 VanDerWaalsContact O-CD1 3.3Å; E190-W194 PolarHBondContact O-N 3.21Å |
| 191 | L | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.5 | -41 | 175.5 | -177.3 | 68.6 | 0 | 0 | 0 | 112.4 | L54 Y110 L113 L117 F136 L140 L187 T193 W194 L195 | L54-L191 HydrophobicContact CD1-CD2 3.67Å; L54-L191 HydrophobicContact CD1-CG 4.47Å; L54-L191 HydrophobicContact CD2-CB 4.15Å; L54-L191 HydrophobicContact CD2-CD2 3.94Å; L54-L191 HydrophobicContact CD2-CG 3.81Å; L54-L191 HydrophobicContact CG-CD2 4.43Å; Y110-L191 HydrophobicContact CD1-CD1 4.46Å; Y110-L191 HydrophobicContact CE1-CD1 4.32Å; L113-L191 HydrophobicContact CB-CD1 4.22Å; L113-L191 HydrophobicContact CD1-CD1 3.91Å; L117-L191 HydrophobicContact CD1-CD1 4.46Å; L117-L191 HydrophobicContact CD1-CD2 3.83Å; L117-L191 HydrophobicContact CD2-CD2 4.3Å; F136-L191 HydrophobicContact CE1-CD1 4.44Å; F136-L191 HydrophobicContact CE1-CD2 3.59Å; F136-L191 HydrophobicContact CE1-CG 4.4Å; F136-L191 HydrophobicContact CZ-CD2 3.8Å; F136-L191 HydrophobicContact CZ-CG 4.37Å; L140-L191 HydrophobicContact CD1-CD1 4.38Å; L140-L191 HydrophobicContact CD2-CD1 4.16Å; L187-L191 WeakPolarHBondContact O-CB 3.42Å; L187-L191 PolarHBondContact O-N 2.96Å; L191-T193 VanDerWaalsContact C-N 3.34Å; L191-W194 PolarHBondContact O-N 3.1Å; L191-L195 HydrophobicContact CG-CD1 4.37Å; L191-L195 WeakPolarHBondContact O-CG 3.32Å; L191-L195 PolarHBondContact O-N 3.03Å |
| 192 | Q | 96.1 | Very high | 94.1 | Very high | 99 Ų | 99 | 29.8 Ų | 29.8 | 46% | 0.463 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -60.6 | -45.1 | 173.6 | -177.2 | -178.6 | 17.9 | 0 | 0 | 111.5 | L54 L188 K189 E190 L195 W196 | L54-Q192 VanDerWaalsContact CD2-CA 3.46Å; L54-Q192 HydrophobicContact CD2-CB 3.76Å; L188-Q192 WeakPolarHBondContact O-CB 3.32Å; L188-Q192 PolarHBondContact O-N 3.38Å; K189-Q192 WeakPolarHBondContact O-CB 3.47Å; K189-Q192 PolarHBondContact O-N 2.94Å; E190-Q192 VanDerWaalsContact C-N 3.31Å; E190-Q192 PolarHBondContact O-N 3.01Å; Q192-L195 PolarHBondContact O-N 2.85Å; Q192-W196 PolarHBondContact O-N 3.34Å; Q192-W196 VanDerWaalsContact O-N 3.14Å |
| 193 | T | 95.6 | Very high | 94.4 | Very high | 46 Ų | 46 | 32 Ų | 32 | 28% | 0.282 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -68.4 | -38.7 | -178.1 | -51.8 | 0 | 0 | 0 | 0 | 111.1 | A87 K189 E190 L191 R197 | A87-T193 HydrophobicContact CB-CG2 3.43Å; A87-T193 VanDerWaalsContact CB-CG2 3.43Å; K189-T193 PolarHBondContact O-N 3.49Å; K189-T193 PolarHBondContact O-OG1 3.41Å; E190-T193 PolarHBondContact O-N 2.91Å; E190-T193 VanDerWaalsContact O-N 3.11Å; L191-T193 VanDerWaalsContact C-N 3.34Å; T193-R197 VanDerWaalsContact O-CB 3.3Å; T193-R197 WeakPolarHBondContact O-CB 3.13Å; T193-R197 PolarHBondContact O-N 3.25Å |
| 194 | W | 97.6 | Very high | 94.7 | Very high | 9 Ų | 9 | 34.9 Ų | 34.9 | 3% | 0.034 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.4 | -50.6 | 172.5 | -88.9 | 109.1 | 0 | 0 | 0 | 111.7 | P85 R86 A87 Q105 A109 Y110 L113 E190 L191 W196 R197 S198 | P85-W194 HydrophobicContact CB-CZ2 4.39Å; P85-W194 PolarHBondContact O-NE1 2.86Å; R86-W194 VanDerWaalsContact O-CZ2 3.27Å; R86-W194 WeakPolarHBondContact O-CZ2 3.38Å; A87-W194 VanDerWaalsContact CA-CE2 3.48Å; A87-W194 HydrophobicContact CB-CB 4.24Å; A87-W194 HydrophobicContact CB-CD2 3.78Å; A87-W194 HydrophobicContact CB-CG 3.63Å; Q105-W194 HydrophobicContact CB-CH2 4.17Å; A109-W194 HydrophobicContact CB-CD2 3.59Å; A109-W194 HydrophobicContact CB-CE3 3.9Å; A109-W194 HydrophobicContact CB-CG 4.28Å; A109-W194 HydrophobicContact CB-CH2 3.66Å; A109-W194 HydrophobicContact CB-CZ2 3.33Å; A109-W194 HydrophobicContact CB-CZ3 3.93Å; Y110-W194 HydrophobicContact CE1-CB 4.06Å; Y110-W194 VanDerWaalsContact OH-C 3.24Å; Y110-W194 PolarHBondContact OH-O 3.42Å; L113-W194 HydrophobicContact CD1-CB 4.29Å; L113-W194 HydrophobicContact CD1-CG 4.01Å; E190-W194 WeakPolarHBondContact O-CB 3.35Å; E190-W194 VanDerWaalsContact O-CD1 3.3Å; E190-W194 PolarHBondContact O-N 3.21Å; L191-W194 PolarHBondContact O-N 3.1Å; W194-W196 VanDerWaalsContact C-N 3.31Å; W194-W196 PolarHBondContact O-N 3.05Å; W194-R197 PolarHBondContact O-N 3.31Å; W194-R197 VanDerWaalsContact O-N 3.12Å; W194-S198 WeakPolarHBondContact O-CB 3.42Å; W194-S198 PolarHBondContact O-N 2.91Å; W194-S198 PolarHBondContact O-OG 3.01Å |
| 195 | L | 98 | Very high | 94.9 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.8 | -43.9 | 179.7 | -72.7 | 166.7 | 0 | 0 | 0 | 112.2 | T47 L50 E51 L54 Y110 F136 L143 L191 Q192 S198 A199 | T47-L195 HydrophobicContact CG2-CD2 4.09Å; T47-L195 VanDerWaalsContact CG2-O 3.24Å; T47-L195 WeakPolarHBondContact CG2-O 3.41Å; L50-L195 HydrophobicContact CB-CD1 4.12Å; L50-L195 HydrophobicContact CB-CD2 3.63Å; L50-L195 HydrophobicContact CD1-CD2 4.28Å; E51-L195 HydrophobicContact CB-CB 4.39Å; L54-L195 HydrophobicContact CB-CD1 4.18Å; L54-L195 HydrophobicContact CD2-CD1 3.74Å; Y110-L195 HydrophobicContact CE1-CD2 4.12Å; Y110-L195 HydrophobicContact CE1-CG 4.39Å; Y110-L195 VanDerWaalsContact OH-CA 3.26Å; Y110-L195 WeakPolarHBondContact OH-CA 3.34Å; Y110-L195 PolarHBondContact OH-N 3.38Å; F136-L195 HydrophobicContact CZ-CD1 4.31Å; L143-L195 HydrophobicContact CD2-CD2 4.16Å; L191-L195 HydrophobicContact CG-CD1 4.37Å; L191-L195 WeakPolarHBondContact O-CG 3.32Å; L191-L195 PolarHBondContact O-N 3.03Å; Q192-L195 PolarHBondContact O-N 2.85Å; L195-S198 PolarHBondContact O-N 3.16Å; L195-A199 WeakPolarHBondContact O-CB 3.36Å; L195-A199 PolarHBondContact O-N 3.33Å |
| 196 | W | 95.6 | Very high | 95 | Very high | 137 Ų | 137 | 36.3 Ų | 36.3 | 52% | 0.519 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -63.7 | -43.8 | 176.3 | -178.3 | 83.5 | 0 | 0 | 0 | 112.5 | Q192 W194 A199 K200 | Q192-W196 PolarHBondContact O-N 3.34Å; Q192-W196 VanDerWaalsContact O-N 3.14Å; W194-W196 VanDerWaalsContact C-N 3.31Å; W194-W196 PolarHBondContact O-N 3.05Å; W196-A199 PolarHBondContact O-N 3.46Å; W196-K200 HydrophobicContact CD2-CD 4.45Å; W196-K200 VanDerWaalsContact CE2-CE 3.46Å; W196-K200 HydrophobicContact CE3-CD 4.22Å; W196-K200 HydrophobicContact CH2-CD 4.33Å; W196-K200 HydrophobicContact CZ2-CD 4.42Å; W196-K200 HydrophobicContact CZ3-CD 4.15Å; W196-K200 VanDerWaalsContact CZ3-NZ 3.32Å; W196-K200 PolarHBondContact O-N 3.27Å |
| 197 | R | 95.6 | Very high | 95 | Very high | 12 Ų | 12 | 40.6 Ų | 40.6 | 5% | 0.045 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.8 | -46.7 | 177 | 176.6 | -179.4 | 164.3 | -173.5 | -6.1 | 111.7 | A87 T193 W194 A199 K200 D201 | A87-R197 VanDerWaalsContact O-CD 3.29Å; A87-R197 WeakPolarHBondContact O-CD 3.46Å; A87-R197 PolarHBondContact O-NH1 2.96Å; T193-R197 VanDerWaalsContact O-CB 3.3Å; T193-R197 WeakPolarHBondContact O-CB 3.13Å; T193-R197 PolarHBondContact O-N 3.25Å; W194-R197 PolarHBondContact O-N 3.31Å; W194-R197 VanDerWaalsContact O-N 3.12Å; R197-A199 VanDerWaalsContact C-N 3.31Å; R197-A199 PolarHBondContact O-N 3.36Å; R197-K200 WeakPolarHBondContact O-CB 3.36Å; R197-K200 PolarHBondContact O-N 2.94Å; R197-K200 VanDerWaalsContact O-N 3.09Å; R197-D201 IonicContact NE-OD2 3.95Å; R197-D201 PolarHBondContact O-N 3.38Å |
| 198 | S | 97 | Very high | 94.8 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.8 | -39.1 | 178.8 | -52.4 | 0 | 0 | 0 | 0 | 111.6 | N106 Y110 W194 L195 K200 D201 F202 | N106-S198 WeakPolarHBondContact OD1-CB 3.45Å; N106-S198 PolarHBondContact OD1-OG 2.99Å; Y110-S198 VanDerWaalsContact CE2-OG 3.32Å; Y110-S198 WeakPolarHBondContact CE2-OG 2.99Å; Y110-S198 WeakPolarHBondContact OH-CB 3.2Å; Y110-S198 PolarHBondContact OH-OG 3.38Å; W194-S198 WeakPolarHBondContact O-CB 3.42Å; W194-S198 PolarHBondContact O-N 2.91Å; W194-S198 PolarHBondContact O-OG 3.01Å; L195-S198 PolarHBondContact O-N 3.16Å; S198-K200 PolarHBondContact O-N 3.1Å; S198-D201 PolarHBondContact O-N 3.01Å; S198-D201 VanDerWaalsContact O-N 3.11Å; S198-F202 WeakPolarHBondContact O-CD2 3.36Å; S198-F202 WeakPolarHBondContact O-CG 3.39Å; S198-F202 PolarHBondContact O-N 2.9Å |
| 199 | A | 96.7 | Very high | 94.4 | Very high | 7 Ų | 7 | 50 Ų | 50 | 6% | 0.058 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.7 | -39.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y44 T47 L195 W196 R197 N203 | Y44-A199 HydrophobicContact CE2-CB 4.29Å; Y44-A199 WeakPolarHBondContact CE2-O 3.48Å; T47-A199 HydrophobicContact CG2-CB 4.06Å; L195-A199 WeakPolarHBondContact O-CB 3.36Å; L195-A199 PolarHBondContact O-N 3.33Å; W196-A199 PolarHBondContact O-N 3.46Å; R197-A199 VanDerWaalsContact C-N 3.31Å; R197-A199 PolarHBondContact O-N 3.36Å; A199-N203 VanDerWaalsContact O-CB 3.22Å; A199-N203 WeakPolarHBondContact O-CB 3.2Å; A199-N203 PolarHBondContact O-N 3.01Å |
| 200 | K | 94.9 | Very high | 93.7 | Very high | 84 Ų | 84 | 51.5 Ų | 51.5 | 37% | 0.365 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.5 | -44.3 | 173.2 | -66.3 | 180 | 170.1 | -167.9 | 0 | 112.4 | W94 W196 R197 S198 N203 R204 | W94-K200 HydrophobicContact CH2-CB 4.24Å; W94-K200 HydrophobicContact CZ2-CB 3.85Å; W94-K200 HydrophobicContact CZ2-CD 4.43Å; W196-K200 HydrophobicContact CD2-CD 4.45Å; W196-K200 VanDerWaalsContact CE2-CE 3.46Å; W196-K200 HydrophobicContact CE3-CD 4.22Å; W196-K200 HydrophobicContact CH2-CD 4.33Å; W196-K200 HydrophobicContact CZ2-CD 4.42Å; W196-K200 HydrophobicContact CZ3-CD 4.15Å; W196-K200 VanDerWaalsContact CZ3-NZ 3.32Å; W196-K200 PolarHBondContact O-N 3.27Å; R197-K200 WeakPolarHBondContact O-CB 3.36Å; R197-K200 PolarHBondContact O-N 2.94Å; R197-K200 VanDerWaalsContact O-N 3.09Å; S198-K200 PolarHBondContact O-N 3.1Å; K200-N203 PolarHBondContact O-N 3.39Å; K200-R204 PolarHBondContact O-N 2.75Å |
| 201 | D | 95.5 | Very high | 92.4 | Very high | 5 Ų | 5 | 55.1 Ų | 55.1 | 3% | 0.027 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.4 | -48.7 | 178.5 | -70.2 | -23.3 | 0 | 0 | 0 | 110.9 | W94 R102 N106 R197 S198 R204 L205 | W94-D201 WeakPolarHBondContact CZ2-OD1 3.38Å; W94-D201 PolarHBondContact NE1-OD1 3.35Å; R102-D201 HydrophobicContact CB-CB 4.44Å; R102-D201 IonicContact CZ-OD1 3.77Å; R102-D201 IonicContact NH1-OD1 2.74Å; R102-D201 PolarHBondContact NH1-OD1 3.03Å; N106-D201 PolarHBondContact ND2-OD2 3.41Å; R197-D201 IonicContact NE-OD2 3.95Å; R197-D201 PolarHBondContact O-N 3.38Å; S198-D201 PolarHBondContact O-N 3.01Å; S198-D201 VanDerWaalsContact O-N 3.11Å; D201-R204 WeakPolarHBondContact O-CB 3.48Å; D201-R204 PolarHBondContact O-N 3.38Å; D201-L205 PolarHBondContact O-N 3.46Å |
| 202 | F | 96.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 59.7 Ų | 59.7 | 0% | 0.004 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.7 | -35.8 | 178.1 | -62.2 | -52.8 | 0 | 0 | 0 | 112.8 | T43 Y44 T47 L103 I147 S198 R204 L205 K206 | T43-F202 HydrophobicContact CG2-CD1 4.14Å; T43-F202 HydrophobicContact CG2-CD2 4.14Å; T43-F202 HydrophobicContact CG2-CE1 3.69Å; T43-F202 HydrophobicContact CG2-CE2 3.7Å; T43-F202 HydrophobicContact CG2-CG 4.38Å; T43-F202 HydrophobicContact CG2-CZ 3.5Å; T43-F202 VanDerWaalsContact CG2-CZ 3.5Å; Y44-F202 HydrophobicContact CD2-CB 4.15Å; T47-F202 WeakPolarHBondContact OG1-CE2 3.37Å; L103-F202 HydrophobicContact CD2-CD1 4.49Å; L103-F202 HydrophobicContact CD2-CE1 3.7Å; I147-F202 HydrophobicContact CD1-CZ 3.96Å; I147-F202 HydrophobicContact CG1-CE1 4.39Å; I147-F202 HydrophobicContact CG1-CZ 3.71Å; S198-F202 WeakPolarHBondContact O-CD2 3.36Å; S198-F202 WeakPolarHBondContact O-CG 3.39Å; S198-F202 PolarHBondContact O-N 2.9Å; F202-R204 VanDerWaalsContact C-N 3.3Å; F202-R204 PolarHBondContact O-N 3.23Å; F202-L205 PolarHBondContact O-N 3.41Å; F202-K206 VanDerWaalsContact O-CB 3.28Å; F202-K206 WeakPolarHBondContact O-CB 3.17Å; F202-K206 PolarHBondContact O-N 3.44Å |
| 203 | N | 94.9 | Very high | 88.9 | Confident | 52 Ų | 52 | 59 Ų | 59 | 28% | 0.278 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.3 | -37.7 | 175.4 | -168.2 | 35 | 0 | 0 | 0 | 111.5 | Y44 A199 K200 K206 K207 | Y44-N203 HydrophobicContact CD2-CB 4.32Å; Y44-N203 HydrophobicContact CE2-CB 4.02Å; A199-N203 VanDerWaalsContact O-CB 3.22Å; A199-N203 WeakPolarHBondContact O-CB 3.2Å; A199-N203 PolarHBondContact O-N 3.01Å; K200-N203 PolarHBondContact O-N 3.39Å; N203-K206 WeakPolarHBondContact OD1-CE 3.4Å; N203-K207 WeakPolarHBondContact O-CG 3.48Å; N203-K207 PolarHBondContact O-N 3.36Å; N203-K207 VanDerWaalsContact O-N 3.17Å |
| 204 | R | 93.6 | Very high | 87 | Confident | 111 Ų | 111 | 60.1 Ų | 60.1 | 42% | 0.419 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.5 | -48 | 173.1 | -172.7 | -175.9 | -173.4 | -142.8 | 12.5 | 111.1 | L97 K200 D201 F202 K206 K207 K208 | L97-R204 PolarHBondContact O-NH1 3.35Å; K200-R204 PolarHBondContact O-N 2.75Å; D201-R204 WeakPolarHBondContact O-CB 3.48Å; D201-R204 PolarHBondContact O-N 3.38Å; F202-R204 VanDerWaalsContact C-N 3.3Å; F202-R204 PolarHBondContact O-N 3.23Å; R204-K206 VanDerWaalsContact C-N 3.33Å; R204-K206 PolarHBondContact O-N 3.45Å; R204-K207 PolarHBondContact O-N 3.36Å; R204-K208 PolarHBondContact O-N 3.29Å |
| 205 | L | 94 | Very high | 84.8 | Confident | 5 Ų | 5 | 62 Ų | 62 | 3% | 0.026 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.8 | -43 | 179.2 | -173.7 | 60.4 | 0 | 0 | 0 | 111.4 | I40 D99 L103 V150 L154 D201 F202 K207 K208 M209 | I40-L205 HydrophobicContact CD1-CD2 3.97Å; I40-L205 HydrophobicContact CD1-CG 3.84Å; I40-L205 HydrophobicContact CG1-CD2 3.93Å; I40-L205 HydrophobicContact CG1-CG 4.27Å; I40-L205 HydrophobicContact CG2-CB 4.41Å; I40-L205 HydrophobicContact CG2-CD2 4.36Å; I40-L205 HydrophobicContact CG2-CG 4.35Å; D99-L205 HydrophobicContact CB-CD1 4.07Å; L103-L205 HydrophobicContact CD1-CD2 4.28Å; L103-L205 HydrophobicContact CD2-CD2 4.45Å; V150-L205 HydrophobicContact CG1-CD2 3.98Å; L154-L205 HydrophobicContact CD1-CD1 4.28Å; L154-L205 HydrophobicContact CD1-CD2 4.06Å; D201-L205 PolarHBondContact O-N 3.46Å; F202-L205 PolarHBondContact O-N 3.41Å; L205-K207 PolarHBondContact O-N 3.3Å; L205-K208 WeakPolarHBondContact O-CB 3.38Å; L205-K208 PolarHBondContact O-N 3.1Å; L205-M209 HydrophobicContact CD1-CE 3.68Å; L205-M209 HydrophobicContact CD1-CG 4.49Å; L205-M209 VanDerWaalsContact O-CG 3.31Å; L205-M209 WeakPolarHBondContact O-CG 3.43Å; L205-M209 PolarHBondContact O-N 3.21Å; L205-M209 VanDerWaalsContact O-N 3.14Å |
| 206 | K | 92.4 | Very high | 82.7 | Confident | 44 Ų | 44 | 65.8 Ų | 65.8 | 19% | 0.191 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -56.1 | -50.6 | 174.8 | -179.7 | 176.2 | 68.8 | 178.1 | 0 | 112.1 | I40 F202 N203 R204 K208 M209 Q210 | I40-K206 HydrophobicContact CG2-CB 4.03Å; F202-K206 VanDerWaalsContact O-CB 3.28Å; F202-K206 WeakPolarHBondContact O-CB 3.17Å; F202-K206 PolarHBondContact O-N 3.44Å; N203-K206 WeakPolarHBondContact OD1-CE 3.4Å; R204-K206 VanDerWaalsContact C-N 3.33Å; R204-K206 PolarHBondContact O-N 3.45Å; K206-K208 PolarHBondContact O-N 3.11Å; K206-M209 PolarHBondContact O-N 3.42Å; K206-M209 VanDerWaalsContact O-N 3.09Å; K206-Q210 WeakPolarHBondContact O-CG 3.32Å; K206-Q210 PolarHBondContact O-N 3.25Å; K206-Q210 VanDerWaalsContact O-N 3.14Å |
| 207 | K | 91.4 | Very high | 80.6 | Confident | 137 Ų | 137 | 64.1 Ų | 64.1 | 60% | 0.596 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -58.8 | -33.9 | 179.9 | -73.6 | 176.2 | -179.4 | -172 | 0 | 112.5 | N203 R204 L205 | N203-K207 WeakPolarHBondContact O-CG 3.48Å; N203-K207 PolarHBondContact O-N 3.36Å; N203-K207 VanDerWaalsContact O-N 3.17Å; R204-K207 PolarHBondContact O-N 3.36Å; L205-K207 PolarHBondContact O-N 3.3Å |
| 208 | K | 89.4 | Confident | 78.5 | Confident | 139 Ų | 139 | 70.2 Ų | 70.2 | 60% | 0.604 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -73.4 | -31.3 | 177.8 | -175.5 | 177.7 | 172.2 | -175 | 0 | 113.1 | D99 R204 L205 K206 | D99-K208 IonicContact OD2-NZ 2.71Å; D99-K208 PolarHBondContact OD2-NZ 3.5Å; R204-K208 PolarHBondContact O-N 3.29Å; L205-K208 WeakPolarHBondContact O-CB 3.38Å; L205-K208 PolarHBondContact O-N 3.1Å; K206-K208 PolarHBondContact O-N 3.11Å |
| 209 | M | 85.3 | Confident | 76.2 | Confident | 66 Ų | 66 | 77.2 Ų | 77.2 | 33% | 0.325 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -90.7 | -6.7 | -177.2 | -60.7 | -63.5 | 174 | 0 | 0 | 113.4 | P36 I40 L154 L205 K206 | P36-M209 HydrophobicContact CG-CG 4.42Å; P36-M209 HydrophobicContact CG-SD 4.09Å; I40-M209 HydrophobicContact CD1-CB 4.25Å; I40-M209 HydrophobicContact CD1-CG 3.67Å; L154-M209 HydrophobicContact CD1-CE 4.43Å; L154-M209 HydrophobicContact CD2-CE 3.49Å; L154-M209 VanDerWaalsContact CD2-CE 3.49Å; L154-M209 HydrophobicContact CD2-SD 4.42Å; L205-M209 HydrophobicContact CD1-CE 3.68Å; L205-M209 HydrophobicContact CD1-CG 4.49Å; L205-M209 VanDerWaalsContact O-CG 3.31Å; L205-M209 WeakPolarHBondContact O-CG 3.43Å; L205-M209 PolarHBondContact O-N 3.21Å; L205-M209 VanDerWaalsContact O-N 3.14Å; K206-M209 PolarHBondContact O-N 3.42Å; K206-M209 VanDerWaalsContact O-N 3.09Å |
| 210 | Q | 77.9 | Confident | 74.1 | Confident | 115 Ų | 115 | 83.7 Ų | 83.7 | 54% | 0.537 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -72.9 | 132.5 | 172.8 | -77.6 | 177.5 | -26.6 | 0 | 0 | 109.9 | K206 | K206-Q210 WeakPolarHBondContact O-CG 3.32Å; K206-Q210 PolarHBondContact O-N 3.25Å; K206-Q210 VanDerWaalsContact O-N 3.14Å |
| 211 | P | 66.8 | Low | 71.7 | Confident | 88 Ų | 88 | 82.8 Ų | 82.8 | 57% | 0.571 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 142 | 174.6 | 23 | -30.4 | 0 | 0 | 0 | 109.9 | A213 | P211-A213 PolarHBondContact O-N 3.2Š|
| 212 | P | 61.1 | Low | 69.4 | Low | 96 Ų | 96 | 86.1 Ų | 86.1 | 62% | 0.623 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 139 | 176.3 | 22.7 | -30.3 | 0 | 0 | 0 | 109.6 | A214 A215 | P212-A214 PolarHBondContact O-N 3.43Å; P212-A215 HydrophobicContact CG-CB 4.42Å; P212-A215 WeakPolarHBondContact O-CB 3.41Å; P212-A215 PolarHBondContact O-N 3.08Å |
| 213 | A | 58.1 | Low | 67.1 | Low | 86 Ų | 86 | 94.5 Ų | 94.5 | 71% | 0.711 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -52 | -26.9 | -175 | 0 | 0 | 0 | 0 | 0 | 114 | P211 A215 V216 T217 | P211-A213 PolarHBondContact O-N 3.2Å; A213-A215 VanDerWaalsContact C-N 3.34Å; A213-A215 PolarHBondContact O-N 3.08Å; A213-V216 PolarHBondContact O-N 3.5Å; A213-T217 PolarHBondContact O-OG1 3.28Å |
| 214 | A | 54.3 | Low | 64.8 | Low | 69 Ų | 69 | 94.4 Ų | 94.4 | 57% | 0.57 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67.5 | -26.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | P212 | P212-A214 PolarHBondContact O-N 3.43Å |
| 215 | A | 52.7 | Low | 62.2 | Low | 47 Ų | 47 | 103.1 Ų | 103.1 | 39% | 0.388 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -76.3 | -27.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | P212 A213 | P212-A215 HydrophobicContact CG-CB 4.42Å; P212-A215 WeakPolarHBondContact O-CB 3.41Å; P212-A215 PolarHBondContact O-N 3.08Å; A213-A215 VanDerWaalsContact C-N 3.34Å; A213-A215 PolarHBondContact O-N 3.08Å |
| 216 | V | 53.6 | Low | 60.7 | Low | 80 Ų | 80 | 108 Ų | 108 | 49% | 0.485 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -72.7 | -32.6 | 178.3 | -179.7 | 0 | 0 | 0 | 0 | 110.9 | A213 L220 | A213-V216 PolarHBondContact O-N 3.5Å; V216-L220 HydrophobicContact CG1-CD1 4.39Å |
| 217 | T | 50.5 | Low | 59 | Low | 102 Ų | 102 | 111.4 Ų | 111.4 | 63% | 0.626 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -70.8 | -34.1 | 178.8 | -26.9 | 0 | 0 | 0 | 0 | 112.5 | A213 | A213-T217 PolarHBondContact O-OG1 3.28Å |
| 218 | L | 51.2 | Low | 57.2 | Low | 140 Ų | 140 | 109.9 Ų | 109.9 | 73% | 0.733 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -71.1 | -29.5 | 179.8 | -69.7 | 171.4 | 0 | 0 | 0 | 112.9 | ||
| 219 | H | 49.4 | Very low | 55.3 | Low | 148 Ų | 148 | 108.2 Ų | 108.2 | 69% | 0.685 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -80.2 | -20.3 | -178.7 | -131.4 | -65.1 | 0 | 0 | 0 | 113.7 | ||
| 220 | L | 51.6 | Low | 53.4 | Low | 143 Ų | 143 | 110.9 Ų | 110.9 | 75% | 0.749 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -84.5 | -14.7 | 174.4 | -91.4 | 137.9 | 0 | 0 | 0 | 113.3 | V216 | V216-L220 HydrophobicContact CG1-CD1 4.39Å |
| 221 | G | 45.3 | Very low | 51.8 | Low | 65 Ų | 65 | 110.6 Ų | 110.6 | 67% | 0.67 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -89 | -8.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 222 | A | 47.1 | Very low | 50.7 | Low | 75 Ų | 75 | 112.2 Ų | 112.2 | 62% | 0.62 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -102.8 | 5.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 223 | H | 48.6 | Very low | 49.9 | Very low | 176 Ų | 176 | 113.5 Ų | 113.5 | 82% | 0.815 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -114.4 | 48.8 | 174.3 | -73.3 | -26.3 | 0 | 0 | 0 | 111.9 | ||
| 224 | G | 45.7 | Very low | 49.2 | Very low | 50 Ų | 50 | 115.8 Ų | 115.8 | 52% | 0.515 | 68% | 0.679 | S | S | . | * | trans | -141.9 | 103.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 225 | F | 40.6 | Very low | 48.8 | Very low | 294 Ų | 294 | 120 Ų | 120 | 100% | 1.289 | 69% | 0.689 | S | S | * | * | trans | 163.4 | 0 | 138.1 | -81.2 | -61 | 0 | 0 | 0 | 109.3 |
Retrieved 225 of 225 residues in 68.3 ms
(Link to these results)