| 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 | 42.5 | Very low | 50.8 | Low | 247 Ų | 247 | 146.6 Ų | 146.6 | 100% | 1.217 | 82% | 0.823 | S | S | * | * | 0 | 118.9 | 0 | -80.5 | 169.2 | 162.3 | 0 | 0 | 107.9 | |||||
| 2 | T | 43 | Very low | 51.5 | Low | 143 Ų | 143 | 143.4 Ų | 143.4 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | trans | -76 | 122.9 | -169 | -47.1 | 0 | 0 | 0 | 0 | 111.3 | R4 | T2-R4 PolarHBondContact O-N 3.48Š| ||
| 3 | A | 47.1 | Very low | 52.4 | Low | 86 Ų | 86 | 143.2 Ų | 143.2 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | trans | -72.1 | 123.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | N5 | A3-N5 PolarHBondContact O-N 3.33Š| ||
| 4 | R | 47.9 | Very low | 53.4 | Low | 245 Ų | 245 | 141.1 Ų | 141.1 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | trans | -79.4 | 109.6 | 175.7 | -75.8 | 176.6 | 161.7 | 161.6 | -5.4 | 108.9 | T2 S6 | T2-R4 PolarHBondContact O-N 3.48Å; R4-S6 PolarHBondContact O-N 3.41Å | ||
| 5 | N | 52.8 | Low | 54.3 | Low | 148 Ų | 148 | 142.7 Ų | 142.7 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | -73.9 | 111.8 | 168.8 | -73.4 | -1.8 | 0 | 0 | 0 | 108.9 | A3 V7 | A3-N5 PolarHBondContact O-N 3.33Å; N5-V7 PolarHBondContact O-N 3.19Å | ||
| 6 | S | 51.4 | Low | 55.4 | Low | 106 Ų | 106 | 139.3 Ų | 139.3 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | -73.9 | 107.2 | 171.5 | 56.6 | 0 | 0 | 0 | 0 | 109.5 | R4 T8 | R4-S6 PolarHBondContact O-N 3.41Å; S6-T8 PolarHBondContact O-N 3.26Å | ||
| 7 | V | 55 | Low | 56.3 | Low | 117 Ų | 117 | 144.1 Ų | 144.1 | 71% | 0.709 | 78% | 0.782 | S | S | * | * | trans | -74.3 | 101.4 | 169.4 | 179.7 | 0 | 0 | 0 | 0 | 107.6 | N5 H9 | N5-V7 PolarHBondContact O-N 3.19Å; V7-H9 PolarHBondContact O-N 3.19Å | ||
| 8 | T | 49.8 | Very low | 57.2 | Low | 128 Ų | 128 | 147.4 Ų | 147.4 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -72.5 | 103.2 | 167.3 | 43.1 | 0 | 0 | 0 | 0 | 108.2 | S6 G10 | S6-T8 PolarHBondContact O-N 3.26Å; T8-G10 PolarHBondContact O-N 3.01Å | ||
| 9 | H | 52.7 | Low | 58.3 | Low | 169 Ų | 169 | 145.1 Ų | 145.1 | 78% | 0.782 | 78% | 0.779 | S | S | * | * | trans | -60.9 | 105.2 | 166.7 | -80.3 | -77.8 | 0 | 0 | 0 | 108.6 | V7 I11 | V7-H9 PolarHBondContact O-N 3.19Å; H9-I11 PolarHBondContact O-N 3.1Å; H9-I11 VanDerWaalsContact O-N 3.1Å | ||
| 10 | G | 56 | Low | 59 | Low | 71 Ų | 71 | 147.4 Ų | 147.4 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | trans | -61 | 111.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | T8 P12 | T8-G10 PolarHBondContact O-N 3.01Å; G10-P12 WeakPolarHBondContact O-CD 3.41Å | ||
| 11 | I | 61 | Low | 59.5 | Low | 153 Ų | 153 | 147.7 Ų | 147.7 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -59.1 | 120.2 | 168.5 | -60.7 | 175.7 | 0 | 0 | 0 | 106.5 | H9 N13 | H9-I11 PolarHBondContact O-N 3.1Å; H9-I11 VanDerWaalsContact O-N 3.1Å; I11-N13 PolarHBondContact O-N 2.91Å | ||
| 12 | P | 59 | Low | 60.9 | Low | 108 Ų | 108 | 139.5 Ų | 139.5 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | trans | -64.8 | 106.3 | 176.4 | 25.3 | -30.9 | 0 | 0 | 0 | 108 | G10 T14 | G10-P12 WeakPolarHBondContact O-CD 3.41Å; P12-T14 PolarHBondContact O-N 2.83Å | ||
| 13 | N | 63.2 | Low | 62 | Low | 141 Ų | 141 | 137.9 Ų | 137.9 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | trans | -71.2 | 82.4 | 173.2 | -173.6 | 16 | 0 | 0 | 0 | 108.1 | I11 K15 | I11-N13 PolarHBondContact O-N 2.91Å; N13-K15 PolarHBondContact O-N 2.89Å | ||
| 14 | T | 66.7 | Low | 62.9 | Low | 114 Ų | 114 | 139.5 Ų | 139.5 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | trans | -68.4 | 83.9 | 171.1 | 40.8 | 0 | 0 | 0 | 0 | 108.4 | P12 V16 | P12-T14 PolarHBondContact O-N 2.83Å; T14-V16 PolarHBondContact O-N 2.85Å | ||
| 15 | K | 66.4 | Low | 63.7 | Low | 165 Ų | 165 | 135.3 Ų | 135.3 | 72% | 0.717 | 74% | 0.742 | S | S | * | * | trans | -74.9 | 73.8 | 175.7 | -164.6 | 178.1 | -174.7 | -179.6 | 0 | 109 | N13 R17 | N13-K15 PolarHBondContact O-N 2.89Å; K15-R17 PolarHBondContact O-N 3.09Å; K15-R17 VanDerWaalsContact O-N 3.09Å | ||
| 16 | V | 72.3 | Confident | 64.4 | Low | 87 Ų | 87 | 133.9 Ų | 133.9 | 53% | 0.527 | 73% | 0.734 | S | S | . | * | trans | -62 | 112 | 171.7 | -177.8 | 0 | 0 | 0 | 0 | 106.9 | T14 Y18 | T14-V16 PolarHBondContact O-N 2.85Å; V16-Y18 HydrophobicContact CB-CE2 3.89Å; V16-Y18 HydrophobicContact CG1-CD2 4.38Å; V16-Y18 HydrophobicContact CG1-CE1 4.03Å; V16-Y18 HydrophobicContact CG1-CE2 3.88Å; V16-Y18 WeakPolarHBondContact O-CD2 3.33Å; V16-Y18 PolarHBondContact O-N 3.15Å; V16-Y18 VanDerWaalsContact O-N 3.15Å | ||
| 17 | R | 69.7 | Low | 65.3 | Low | 222 Ų | 222 | 131.6 Ų | 131.6 | 84% | 0.838 | 73% | 0.727 | S | S | * | * | trans | -76.9 | 100.2 | 177.4 | -70.1 | -162.1 | -177.8 | -161.9 | 3.6 | 108.3 | K15 S19 | K15-R17 PolarHBondContact O-N 3.09Å; K15-R17 VanDerWaalsContact O-N 3.09Å; R17-S19 PolarHBondContact O-N 3.44Å | ||
| 18 | Y | 73.1 | Confident | 65.9 | Low | 203 Ų | 203 | 133.1 Ų | 133.1 | 80% | 0.796 | 72% | 0.722 | S | S | * | * | trans | -78 | 114 | 166 | -60.1 | -81.8 | 0 | 0 | 0 | 108.3 | V16 | V16-Y18 HydrophobicContact CB-CE2 3.89Å; V16-Y18 HydrophobicContact CG1-CD2 4.38Å; V16-Y18 HydrophobicContact CG1-CE1 4.03Å; V16-Y18 HydrophobicContact CG1-CE2 3.88Å; V16-Y18 WeakPolarHBondContact O-CD2 3.33Å; V16-Y18 PolarHBondContact O-N 3.15Å; V16-Y18 VanDerWaalsContact O-N 3.15Å | ||
| 19 | S | 77.1 | Confident | 67.1 | Low | 103 Ų | 103 | 132.3 Ų | 132.3 | 72% | 0.72 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 132.6 | 164.9 | 51.8 | 0 | 0 | 0 | 0 | 108.5 | R17 L21 | R17-S19 PolarHBondContact O-N 3.44Å; S19-L21 PolarHBondContact O-N 3.29Å |
| 20 | K | 73.8 | Confident | 68.1 | Low | 192 Ų | 192 | 130.9 Ų | 130.9 | 84% | 0.835 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 126.4 | 170.8 | -160.9 | -176.5 | -177.8 | -168.9 | 0 | 107.5 | ||
| 21 | L | 69.6 | Low | 68.9 | Low | 153 Ų | 153 | 133.3 Ų | 133.3 | 80% | 0.801 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 142 | 173.7 | -70 | 166.4 | 0 | 0 | 0 | 108.6 | S19 S23 | S19-L21 PolarHBondContact O-N 3.29Å; L21-S23 PolarHBondContact O-N 3.32Å |
| 22 | A | 70.6 | Confident | 69.4 | Low | 76 Ų | 76 | 130.2 Ų | 130.2 | 63% | 0.628 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 132.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | D24 | A22-D24 PolarHBondContact O-N 2.91Š|
| 23 | S | 67.2 | Low | 70.3 | Confident | 108 Ų | 108 | 132.6 Ų | 132.6 | 76% | 0.755 | 69% | 0.687 | S | S | * | * | trans | -78.6 | 51.2 | 173.5 | -51.5 | 0 | 0 | 0 | 0 | 109.1 | L21 | L21-S23 PolarHBondContact O-N 3.32Š| ||
| 24 | D | 65.5 | Low | 70.7 | Confident | 121 Ų | 121 | 133.7 Ų | 133.7 | 65% | 0.647 | 69% | 0.685 | S | S | * | * | trans | -73.5 | 131 | 167.8 | -72.7 | -29.5 | 0 | 0 | 0 | 106.2 | A22 D26 | A22-D24 PolarHBondContact O-N 2.91Å; D24-D26 PolarHBondContact O-N 2.85Å | ||
| 25 | D | 64.9 | Low | 70.7 | Confident | 156 Ų | 156 | 136.3 Ų | 136.3 | 83% | 0.834 | 69% | 0.687 | S | S | * | * | trans | -66 | 87.4 | 169.6 | -175.9 | 30.3 | 0 | 0 | 0 | 106.7 | G27 | D25-G27 PolarHBondContact O-N 3.36Š| ||
| 26 | D | 66.4 | Low | 70.7 | Confident | 118 Ų | 118 | 133.2 Ų | 133.2 | 63% | 0.631 | 69% | 0.685 | S | S | * | * | trans | -69.3 | 17.4 | -173.1 | 30.7 | -15.7 | 0 | 0 | 0 | 112.8 | D24 Y28 | D24-D26 PolarHBondContact O-N 2.85Å; D26-Y28 HydrophobicContact CB-CD2 3.74Å; D26-Y28 HydrophobicContact CB-CE2 4.19Å; D26-Y28 PolarHBondContact O-N 3.31Å; D26-Y28 VanDerWaalsContact O-N 3.09Å; D26-Y28 WeakPolarHBondContact OD2-CD2 3.46Å | ||
| 27 | G | 70.6 | Confident | 70.5 | Confident | 58 Ų | 58 | 134.6 Ų | 134.6 | 60% | 0.598 | 70% | 0.696 | S | S | * | * | S | Bend | trans | 67.7 | 5.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D25 I29 | D25-G27 PolarHBondContact O-N 3.36Å; G27-I29 PolarHBondContact O-N 3.09Å |
| 28 | Y | 68.3 | Low | 70.5 | Confident | 150 Ų | 150 | 127.9 Ų | 127.9 | 59% | 0.588 | 68% | 0.681 | S | S | * | * | trans | -82.5 | 105.8 | -176.4 | -78.4 | -49 | 0 | 0 | 0 | 110.2 | D26 Q32 | D26-Y28 HydrophobicContact CB-CD2 3.74Å; D26-Y28 HydrophobicContact CB-CE2 4.19Å; D26-Y28 PolarHBondContact O-N 3.31Å; D26-Y28 VanDerWaalsContact O-N 3.09Å; D26-Y28 WeakPolarHBondContact OD2-CD2 3.46Å; Y28-Q32 VanDerWaalsContact CD1-CD 3.43Å | ||
| 29 | I | 75.9 | Confident | 70.8 | Confident | 110 Ų | 110 | 124.7 Ų | 124.7 | 56% | 0.564 | 67% | 0.672 | S | S | * | * | trans | -85.6 | 138.1 | 173.4 | 61.4 | 177.6 | 0 | 0 | 0 | 110 | G27 L31 Q32 | G27-I29 PolarHBondContact O-N 3.09Å; I29-L31 HydrophobicContact CD1-CB 3.95Å; I29-L31 HydrophobicContact CG1-CB 4.1Å; I29-L31 PolarHBondContact O-N 2.98Å; I29-Q32 HydrophobicContact CG1-CB 4.43Å; I29-Q32 WeakPolarHBondContact O-CB 3.21Å; I29-Q32 WeakPolarHBondContact O-CG 3.48Å; I29-Q32 PolarHBondContact O-N 2.84Å; I29-Q32 PolarHBondContact O-NE2 3.29Å | ||
| 30 | D | 73.9 | Confident | 71 | Confident | 140 Ų | 140 | 121.3 Ų | 121.3 | 75% | 0.749 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -53.9 | -25.4 | 175.8 | -72.4 | -18.1 | 0 | 0 | 0 | 112.9 | Q32 F33 | D30-Q32 PolarHBondContact O-N 3.45Å; D30-F33 PolarHBondContact O-N 2.94Å |
| 31 | L | 71.3 | Confident | 71.6 | Confident | 122 Ų | 122 | 112.6 Ų | 112.6 | 64% | 0.639 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -62 | -25.5 | 176.5 | -90.9 | 71.9 | 0 | 0 | 0 | 113.5 | I29 F33 K34 | I29-L31 HydrophobicContact CD1-CB 3.95Å; I29-L31 HydrophobicContact CG1-CB 4.1Å; I29-L31 PolarHBondContact O-N 2.98Å; L31-F33 PolarHBondContact O-N 3.15Å; L31-K34 WeakPolarHBondContact O-CB 3.39Å; L31-K34 PolarHBondContact O-N 3.32Å; L31-K34 VanDerWaalsContact O-N 3.16Å |
| 32 | Q | 72.8 | Confident | 72.3 | Confident | 87 Ų | 87 | 113.5 Ų | 113.5 | 41% | 0.407 | 60% | 0.604 | S | S | . | * | G | 310 helix | trans | -68.4 | -25.3 | -179.3 | 80.6 | -172.1 | -51.1 | 0 | 0 | 112.7 | Y28 I29 D30 K34 | Y28-Q32 VanDerWaalsContact CD1-CD 3.43Å; I29-Q32 HydrophobicContact CG1-CB 4.43Å; I29-Q32 WeakPolarHBondContact O-CB 3.21Å; I29-Q32 WeakPolarHBondContact O-CG 3.48Å; I29-Q32 PolarHBondContact O-N 2.84Å; I29-Q32 PolarHBondContact O-NE2 3.29Å; D30-Q32 PolarHBondContact O-N 3.45Å; Q32-K34 VanDerWaalsContact C-N 3.35Å |
| 33 | F | 76.8 | Confident | 73.2 | Confident | 159 Ų | 159 | 115.4 Ų | 115.4 | 70% | 0.697 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -90.9 | -5.2 | 178.5 | -58.2 | -65.9 | 0 | 0 | 0 | 111.9 | D30 L31 K35 | D30-F33 PolarHBondContact O-N 2.94Å; L31-F33 PolarHBondContact O-N 3.15Å; F33-K35 PolarHBondContact O-N 2.71Å |
| 34 | K | 71.3 | Confident | 74.2 | Confident | 164 Ų | 164 | 110.4 Ų | 110.4 | 71% | 0.713 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -77 | 109.1 | 172.7 | -107.3 | -178.7 | 168.5 | 176.5 | 0 | 108.9 | L31 Q32 S36 | L31-K34 WeakPolarHBondContact O-CB 3.39Å; L31-K34 PolarHBondContact O-N 3.32Å; L31-K34 VanDerWaalsContact O-N 3.16Å; Q32-K34 VanDerWaalsContact C-N 3.35Å; K34-S36 PolarHBondContact O-N 3.27Å |
| 35 | K | 67.1 | Low | 75.4 | Confident | 169 Ų | 169 | 106.5 Ų | 106.5 | 74% | 0.735 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 130.2 | 166.5 | -121.4 | -172.4 | -179.4 | -168.7 | 0 | 108.6 | F33 D112 | F33-K35 PolarHBondContact O-N 2.71Å; K35-D112 IonicContact NZ-OD2 2.73Å; K35-D112 PolarHBondContact NZ-OD2 3.33Å |
| 36 | S | 65.9 | Low | 76.6 | Confident | 99 Ų | 99 | 102.1 Ų | 102.1 | 69% | 0.692 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -53.5 | 150.3 | 170.2 | -65.7 | 0 | 0 | 0 | 0 | 110.2 | K34 | K34-S36 PolarHBondContact O-N 3.27Š|
| 37 | P | 69.3 | Low | 77.9 | Confident | 116 Ų | 116 | 100.2 Ų | 100.2 | 75% | 0.753 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -51.1 | 130 | 176.1 | -23.9 | 32.5 | 0 | 0 | 0 | 110 | K39 | P37-K39 PolarHBondContact O-N 3.3Å; P37-K39 VanDerWaalsContact O-N 3.14Å |
| 38 | P | 70.2 | Confident | 79 | Confident | 81 Ų | 81 | 97.6 Ų | 97.6 | 53% | 0.526 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 120.9 | -177.6 | 23.3 | -31.6 | 0 | 0 | 0 | 109.2 | ||
| 39 | K | 78.6 | Confident | 80.2 | Confident | 136 Ų | 136 | 92.7 Ų | 92.7 | 59% | 0.591 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 129.2 | 174.1 | -178.1 | -175.8 | 169.1 | -158.4 | 0 | 107.8 | P37 P41 D118 | P37-K39 PolarHBondContact O-N 3.3Å; P37-K39 VanDerWaalsContact O-N 3.14Å; K39-P41 WeakPolarHBondContact O-CD 3.16Å; K39-D118 IonicContact NZ-OD2 2.65Å; K39-D118 PolarHBondContact NZ-OD2 3.2Å |
| 40 | V | 80.9 | Confident | 81.1 | Confident | 33 Ų | 33 | 88.8 Ų | 88.8 | 20% | 0.2 | 46% | 0.462 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 121.3 | 176.4 | -178.6 | 0 | 0 | 0 | 0 | 108.9 | Y42 I45 Y111 | V40-Y42 VanDerWaalsContact C-N 3.3Å; V40-Y42 HydrophobicContact CB-CD2 4.23Å; V40-Y42 HydrophobicContact CB-CE1 4.39Å; V40-Y42 HydrophobicContact CB-CE2 3.76Å; V40-Y42 HydrophobicContact CG1-CD1 4.15Å; V40-Y42 HydrophobicContact CG1-CD2 4.33Å; V40-Y42 HydrophobicContact CG1-CE1 3.9Å; V40-Y42 HydrophobicContact CG1-CE2 4.09Å; V40-Y42 HydrophobicContact CG1-CG 4.36Å; V40-Y42 WeakPolarHBondContact O-CD2 3.32Å; V40-Y42 PolarHBondContact O-N 3.25Å; V40-I45 HydrophobicContact CG1-CD1 3.8Å; V40-Y111 HydrophobicContact CG1-CD1 4.48Å; V40-Y111 HydrophobicContact CG1-CE1 4.1Å; V40-Y111 HydrophobicContact CG2-CD2 4.26Å; V40-Y111 HydrophobicContact CG2-CE2 3.88Å |
| 41 | P | 85.7 | Confident | 82.1 | Confident | 8 Ų | 8 | 84.8 Ų | 84.8 | 5% | 0.052 | 44% | 0.44 | C | S | . | . | trans | -81.7 | 75.1 | -177.6 | 32.7 | -35.3 | 0 | 0 | 0 | 110.4 | K39 K43 A44 I45 Y111 I114 | K39-P41 WeakPolarHBondContact O-CD 3.16Å; P41-K43 VanDerWaalsContact C-N 3.31Å; P41-K43 PolarHBondContact O-N 3.5Å; P41-A44 HydrophobicContact CB-CB 4.07Å; P41-A44 PolarHBondContact O-N 3.31Å; P41-I45 WeakPolarHBondContact O-CG1 3.21Å; P41-I45 PolarHBondContact O-N 3.32Å; P41-I45 VanDerWaalsContact O-N 3.11Å; P41-Y111 HydrophobicContact CG-CD1 4.35Å; P41-I114 HydrophobicContact CG-CB 3.99Å; P41-I114 HydrophobicContact CG-CD1 4.08Å; P41-I114 HydrophobicContact CG-CG2 4.11Å | ||
| 42 | Y | 85.9 | Confident | 83.3 | Confident | 173 Ų | 173 | 81.5 Ų | 81.5 | 68% | 0.678 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -57.6 | -39 | -174.4 | -69.7 | -77.7 | 0 | 0 | 0 | 113.7 | V40 A44 I45 A46 | V40-Y42 VanDerWaalsContact C-N 3.3Å; V40-Y42 HydrophobicContact CB-CD2 4.23Å; V40-Y42 HydrophobicContact CB-CE1 4.39Å; V40-Y42 HydrophobicContact CB-CE2 3.76Å; V40-Y42 HydrophobicContact CG1-CD1 4.15Å; V40-Y42 HydrophobicContact CG1-CD2 4.33Å; V40-Y42 HydrophobicContact CG1-CE1 3.9Å; V40-Y42 HydrophobicContact CG1-CE2 4.09Å; V40-Y42 HydrophobicContact CG1-CG 4.36Å; V40-Y42 WeakPolarHBondContact O-CD2 3.32Å; V40-Y42 PolarHBondContact O-N 3.25Å; Y42-A44 PolarHBondContact O-N 3.16Å; Y42-I45 PolarHBondContact O-N 3.4Å; Y42-A46 WeakPolarHBondContact O-CB 3.09Å; Y42-A46 PolarHBondContact O-N 2.97Å |
| 43 | K | 88.1 | Confident | 84.5 | Confident | 116 Ų | 116 | 82.4 Ų | 82.4 | 50% | 0.504 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 178.7 | -65.2 | -169 | -170.4 | 155.6 | 0 | 111.9 | P41 A46 L47 D118 | P41-K43 VanDerWaalsContact C-N 3.31Å; P41-K43 PolarHBondContact O-N 3.5Å; K43-A46 PolarHBondContact O-N 3.09Å; K43-L47 PolarHBondContact O-N 2.73Å; K43-D118 WeakPolarHBondContact CD-OD1 3.48Å; K43-D118 WeakPolarHBondContact CE-OD1 3.17Å; K43-D118 IonicContact NZ-OD1 2.66Å; K43-D118 PolarHBondContact NZ-OD1 3.13Å |
| 44 | A | 89.3 | Confident | 85.5 | Confident | 3 Ų | 3 | 79.4 Ų | 79.4 | 3% | 0.025 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -65.5 | -41.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | P41 Y42 L47 A48 I114 P115 F117 | P41-A44 HydrophobicContact CB-CB 4.07Å; P41-A44 PolarHBondContact O-N 3.31Å; Y42-A44 PolarHBondContact O-N 3.16Å; A44-L47 PolarHBondContact O-N 3.01Å; A44-A48 WeakPolarHBondContact O-CB 3.26Å; A44-A48 PolarHBondContact O-N 3.27Å; A44-I114 HydrophobicContact CB-CG2 3.41Å; A44-I114 VanDerWaalsContact CB-CG2 3.41Å; A44-P115 WeakPolarHBondContact CB-O 3.26Å; A44-F117 HydrophobicContact CB-CD2 3.67Å; A44-F117 HydrophobicContact CB-CE2 3.9Å |
| 45 | I | 89.6 | Confident | 86.7 | Confident | 38 Ų | 38 | 71.6 Ų | 71.6 | 20% | 0.195 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 175.7 | -63.5 | 169.8 | 0 | 0 | 0 | 110.5 | V40 P41 Y42 A48 T49 A99 Y111 I114 | V40-I45 HydrophobicContact CG1-CD1 3.8Å; P41-I45 WeakPolarHBondContact O-CG1 3.21Å; P41-I45 PolarHBondContact O-N 3.32Å; P41-I45 VanDerWaalsContact O-N 3.11Å; Y42-I45 PolarHBondContact O-N 3.4Å; I45-A48 PolarHBondContact O-N 3.16Å; I45-T49 WeakPolarHBondContact O-CB 3.36Å; I45-T49 PolarHBondContact O-N 3.35Å; I45-T49 PolarHBondContact O-OG1 2.79Å; I45-A99 HydrophobicContact CD1-CB 4.21Å; I45-A99 HydrophobicContact CG1-CB 3.95Å; I45-Y111 HydrophobicContact CD1-CE1 4.11Å; I45-I114 HydrophobicContact CG1-CD1 4.33Å |
| 46 | A | 91.7 | Very high | 88.1 | Confident | 65 Ų | 65 | 65.1 Ų | 65.1 | 54% | 0.537 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.4 | -45 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y42 K43 T49 G50 | Y42-A46 WeakPolarHBondContact O-CB 3.09Å; Y42-A46 PolarHBondContact O-N 2.97Å; K43-A46 PolarHBondContact O-N 3.09Å; A46-T49 PolarHBondContact O-N 2.84Å; A46-G50 PolarHBondContact O-N 3.37Å |
| 47 | L | 92.6 | Very high | 89.6 | Confident | 77 Ų | 77 | 65.2 Ų | 65.2 | 40% | 0.403 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.8 | -52.8 | 175.4 | -170.9 | 164.8 | 0 | 0 | 0 | 111 | K43 A44 T49 G50 L51 F117 | K43-L47 PolarHBondContact O-N 2.73Å; A44-L47 PolarHBondContact O-N 3.01Å; L47-T49 VanDerWaalsContact C-N 3.25Å; L47-T49 PolarHBondContact O-N 3.24Å; L47-G50 WeakPolarHBondContact O-CA 3.45Å; L47-G50 PolarHBondContact O-N 3.21Å; L47-L51 HydrophobicContact CD2-CD1 3.64Å; L47-L51 HydrophobicContact CD2-CD2 3.92Å; L47-L51 HydrophobicContact CD2-CG 4.33Å; L47-L51 HydrophobicContact CG-CD1 4.34Å; L47-L51 PolarHBondContact O-N 3.06Å; L47-F117 HydrophobicContact CD1-CD2 4.43Å; L47-F117 HydrophobicContact CD1-CE1 4.35Å; L47-F117 HydrophobicContact CD1-CE2 4.11Å; L47-F117 HydrophobicContact CD1-CZ 4.06Å |
| 48 | A | 93.3 | Very high | 90.8 | Very high | 4 Ų | 4 | 62 Ų | 62 | 3% | 0.033 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58 | -40 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A44 I45 L51 F52 G92 H95 | A44-A48 WeakPolarHBondContact O-CB 3.26Å; A44-A48 PolarHBondContact O-N 3.27Å; I45-A48 PolarHBondContact O-N 3.16Å; A48-L51 PolarHBondContact O-N 3.03Å; A48-F52 VanDerWaalsContact O-CB 3.29Å; A48-F52 WeakPolarHBondContact O-CB 3.46Å; A48-F52 PolarHBondContact O-N 3.35Å; A48-G92 WeakPolarHBondContact O-CA 3.49Å; A48-H95 HydrophobicContact CB-CB 3.75Å |
| 49 | T | 94.3 | Very high | 92.1 | Very high | 47 Ų | 47 | 60.1 Ų | 60.1 | 29% | 0.288 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 174.7 | -54.8 | 0 | 0 | 0 | 0 | 111.1 | I45 A46 L47 F52 L53 | I45-T49 WeakPolarHBondContact O-CB 3.36Å; I45-T49 PolarHBondContact O-N 3.35Å; I45-T49 PolarHBondContact O-OG1 2.79Å; A46-T49 PolarHBondContact O-N 2.84Å; L47-T49 VanDerWaalsContact C-N 3.25Å; L47-T49 PolarHBondContact O-N 3.24Å; T49-F52 PolarHBondContact O-N 2.68Å; T49-L53 HydrophobicContact CG2-CD1 4.1Å; T49-L53 HydrophobicContact CG2-CG 4.39Å; T49-L53 VanDerWaalsContact O-CG 3.27Å; T49-L53 WeakPolarHBondContact O-CG 3.41Å; T49-L53 PolarHBondContact O-N 3.49Å |
| 50 | G | 95.2 | Very high | 92.8 | Very high | 27 Ų | 27 | 57.4 Ų | 57.4 | 28% | 0.278 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.3 | -49 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A46 L47 F52 L53 I54 | A46-G50 PolarHBondContact O-N 3.37Å; L47-G50 WeakPolarHBondContact O-CA 3.45Å; L47-G50 PolarHBondContact O-N 3.21Å; G50-F52 VanDerWaalsContact C-N 3.34Å; G50-F52 PolarHBondContact O-N 3.29Å; G50-L53 PolarHBondContact O-N 2.89Å; G50-I54 WeakPolarHBondContact O-CB 3.15Å; G50-I54 VanDerWaalsContact O-CG1 3.3Å; G50-I54 WeakPolarHBondContact O-CG1 3.49Å; G50-I54 PolarHBondContact O-N 2.89Å |
| 51 | L | 95.1 | Very high | 93.4 | Very high | 57 Ų | 57 | 59.3 Ų | 59.3 | 30% | 0.298 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.1 | -43.4 | 175.7 | -94 | 60.8 | 0 | 0 | 0 | 111.9 | L47 A48 G55 V88 P91 | L47-L51 HydrophobicContact CD2-CD1 3.64Å; L47-L51 HydrophobicContact CD2-CD2 3.92Å; L47-L51 HydrophobicContact CD2-CG 4.33Å; L47-L51 HydrophobicContact CG-CD1 4.34Å; L47-L51 PolarHBondContact O-N 3.06Å; A48-L51 PolarHBondContact O-N 3.03Å; L51-G55 PolarHBondContact O-N 3.44Å; L51-V88 HydrophobicContact CB-CG1 4.41Å; L51-V88 HydrophobicContact CG-CG1 4.23Å; L51-P91 HydrophobicContact CD2-CB 4.49Å; L51-P91 HydrophobicContact CD2-CG 4.21Å |
| 52 | F | 96.3 | Very high | 93.6 | Very high | 53 Ų | 53 | 59 Ų | 59 | 23% | 0.232 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.3 | -45.8 | 177.5 | 173.1 | -100.6 | 0 | 0 | 0 | 112.1 | A48 T49 G50 S56 F89 F93 L96 | A48-F52 VanDerWaalsContact O-CB 3.29Å; A48-F52 WeakPolarHBondContact O-CB 3.46Å; A48-F52 PolarHBondContact O-N 3.35Å; T49-F52 PolarHBondContact O-N 2.68Å; G50-F52 VanDerWaalsContact C-N 3.34Å; G50-F52 PolarHBondContact O-N 3.29Å; F52-S56 VanDerWaalsContact O-CB 3.25Å; F52-S56 WeakPolarHBondContact O-CB 3.42Å; F52-S56 PolarHBondContact O-N 3.19Å; F52-S56 PolarHBondContact O-OG 2.9Å; F52-F89 AromaticContact CD2-CD2 3.92Å; F52-F89 HydrophobicContact CD2-CD2 3.92Å; F52-F89 AromaticContact CD2-CE2 3.47Å; F52-F89 HydrophobicContact CD2-CE2 3.47Å; F52-F89 VanDerWaalsContact CD2-CE2 3.47Å; F52-F89 HydrophobicContact CD2-CZ 4.11Å; F52-F89 HydrophobicContact CE2-CD2 4.1Å; F52-F89 AromaticContact CE2-CE2 3.2Å; F52-F89 HydrophobicContact CE2-CE2 3.2Å; F52-F89 AromaticContact CE2-CZ 3.67Å; F52-F89 HydrophobicContact CE2-CZ 3.67Å; F52-F89 HydrophobicContact CZ-CE2 4.16Å; F52-F93 HydrophobicContact CD2-CB 4Å; F52-F93 HydrophobicContact CD2-CD2 4.15Å; F52-F93 HydrophobicContact CE2-CB 4.39Å; F52-F93 AromaticContact CE2-CD2 3.79Å; F52-F93 HydrophobicContact CE2-CD2 3.79Å; F52-L96 HydrophobicContact CB-CD2 4.2Å; F52-L96 HydrophobicContact CD1-CD2 3.87Å; F52-L96 HydrophobicContact CD2-CD2 4.44Å; F52-L96 HydrophobicContact CE1-CD2 4.38Å; F52-L96 HydrophobicContact CG-CD2 3.91Å |
| 53 | L | 97.7 | Very high | 93.9 | Very high | 106 Ų | 106 | 53 Ų | 53 | 56% | 0.555 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -66.3 | -47.5 | -180 | -69.5 | 175.8 | 0 | 0 | 0 | 111.8 | T49 G50 S56 L57 | T49-L53 HydrophobicContact CG2-CD1 4.1Å; T49-L53 HydrophobicContact CG2-CG 4.39Å; T49-L53 VanDerWaalsContact O-CG 3.27Å; T49-L53 WeakPolarHBondContact O-CG 3.41Å; T49-L53 PolarHBondContact O-N 3.49Å; G50-L53 PolarHBondContact O-N 2.89Å; L53-S56 PolarHBondContact O-N 3.23Å; L53-L57 WeakPolarHBondContact O-CB 3.46Å; L53-L57 PolarHBondContact O-N 3.44Å |
| 54 | I | 97.1 | Very high | 94.1 | Very high | 96 Ų | 96 | 50.7 Ų | 50.7 | 49% | 0.492 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.3 | -47.9 | 178.6 | -67.4 | 166.8 | 0 | 0 | 0 | 110.1 | G50 S56 L57 L58 V88 | G50-I54 WeakPolarHBondContact O-CB 3.15Å; G50-I54 VanDerWaalsContact O-CG1 3.3Å; G50-I54 WeakPolarHBondContact O-CG1 3.49Å; G50-I54 PolarHBondContact O-N 2.89Å; I54-S56 PolarHBondContact O-N 3.48Å; I54-L57 PolarHBondContact O-N 2.96Å; I54-L58 HydrophobicContact CG2-CD1 3.79Å; I54-L58 WeakPolarHBondContact O-CD1 3.33Å; I54-L58 PolarHBondContact O-N 3.3Å; I54-V88 HydrophobicContact CG2-CG1 4.47Å |
| 55 | G | 96.7 | Very high | 94 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.9 | -45.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | L51 L57 L58 I59 | L51-G55 PolarHBondContact O-N 3.44Å; G55-L57 VanDerWaalsContact C-N 3.34Å; G55-L57 PolarHBondContact O-N 3.44Å; G55-L58 PolarHBondContact O-N 3.14Å; G55-I59 WeakPolarHBondContact O-CB 3.18Å; G55-I59 VanDerWaalsContact O-CG1 3.24Å; G55-I59 WeakPolarHBondContact O-CG1 3.14Å; G55-I59 PolarHBondContact O-N 3.23Å |
| 56 | S | 97.6 | Very high | 93.9 | Very high | 32 Ų | 32 | 55.7 Ų | 55.7 | 22% | 0.224 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 176.8 | -59.9 | 0 | 0 | 0 | 0 | 112.2 | F52 L53 I54 I59 T60 F89 | F52-S56 VanDerWaalsContact O-CB 3.25Å; F52-S56 WeakPolarHBondContact O-CB 3.42Å; F52-S56 PolarHBondContact O-N 3.19Å; F52-S56 PolarHBondContact O-OG 2.9Å; L53-S56 PolarHBondContact O-N 3.23Å; I54-S56 PolarHBondContact O-N 3.48Å; S56-I59 PolarHBondContact O-N 3.4Å; S56-T60 WeakPolarHBondContact O-CB 3.3Å; S56-T60 PolarHBondContact O-N 2.95Å; S56-T60 PolarHBondContact O-OG1 2.82Å; S56-F89 WeakPolarHBondContact OG-CD2 3.45Å; S56-F89 VanDerWaalsContact OG-CE2 3.31Å; S56-F89 WeakPolarHBondContact OG-CE2 3.36Å |
| 57 | L | 96.7 | Very high | 93.7 | Very high | 102 Ų | 102 | 56.5 Ų | 56.5 | 53% | 0.534 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.3 | -48.4 | 176.8 | -178.3 | 66.1 | 0 | 0 | 0 | 111.1 | L53 I54 G55 I59 T60 I61 | L53-L57 WeakPolarHBondContact O-CB 3.46Å; L53-L57 PolarHBondContact O-N 3.44Å; I54-L57 PolarHBondContact O-N 2.96Å; G55-L57 VanDerWaalsContact C-N 3.34Å; G55-L57 PolarHBondContact O-N 3.44Å; L57-I59 VanDerWaalsContact C-N 3.35Å; L57-I59 PolarHBondContact O-N 3.45Å; L57-T60 PolarHBondContact O-N 3Å; L57-I61 HydrophobicContact CD1-CD1 3.94Å; L57-I61 HydrophobicContact CD1-CG1 4.35Å; L57-I61 HydrophobicContact CG-CD1 3.83Å; L57-I61 VanDerWaalsContact O-CG1 3.3Å; L57-I61 WeakPolarHBondContact O-CG1 3.39Å; L57-I61 PolarHBondContact O-N 3.22Å |
| 58 | L | 95.1 | Very high | 93.2 | Very high | 47 Ų | 47 | 55.5 Ų | 55.5 | 25% | 0.246 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.7 | -41.7 | 178.2 | -92 | 72.7 | 0 | 0 | 0 | 112 | I54 G55 G62 I84 | I54-L58 HydrophobicContact CG2-CD1 3.79Å; I54-L58 WeakPolarHBondContact O-CD1 3.33Å; I54-L58 PolarHBondContact O-N 3.3Å; G55-L58 PolarHBondContact O-N 3.14Å; L58-G62 PolarHBondContact O-N 3.22Å; L58-I84 HydrophobicContact CD2-CG2 3.89Å |
| 59 | I | 96 | Very high | 92.8 | Very high | 43 Ų | 43 | 64 Ų | 64 | 22% | 0.221 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 175.5 | -68.4 | 168.3 | 0 | 0 | 0 | 110.5 | G55 S56 L57 G62 A63 L82 G85 I86 F89 | G55-I59 WeakPolarHBondContact O-CB 3.18Å; G55-I59 VanDerWaalsContact O-CG1 3.24Å; G55-I59 WeakPolarHBondContact O-CG1 3.14Å; G55-I59 PolarHBondContact O-N 3.23Å; S56-I59 PolarHBondContact O-N 3.4Å; L57-I59 VanDerWaalsContact C-N 3.35Å; L57-I59 PolarHBondContact O-N 3.45Å; I59-G62 PolarHBondContact O-N 3.06Å; I59-A63 WeakPolarHBondContact O-CB 3.2Å; I59-A63 PolarHBondContact O-N 3.1Å; I59-L82 HydrophobicContact CB-CD1 4.47Å; I59-L82 HydrophobicContact CG2-CD1 4.09Å; I59-G85 VanDerWaalsContact CG1-C 3.49Å; I59-I86 HydrophobicContact CD1-CG1 4.03Å; I59-I86 HydrophobicContact CG1-CG1 4.05Å; I59-F89 HydrophobicContact CD1-CB 3.61Å; I59-F89 HydrophobicContact CD1-CD1 4.3Å; I59-F89 HydrophobicContact CD1-CD2 4.13Å; I59-F89 HydrophobicContact CD1-CG 3.77Å |
| 60 | T | 95.3 | Very high | 92.1 | Very high | 79 Ų | 79 | 67 Ų | 67 | 49% | 0.485 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.4 | -46.6 | -179.8 | -56.1 | 0 | 0 | 0 | 0 | 110.7 | S56 L57 A63 L64 | S56-T60 WeakPolarHBondContact O-CB 3.3Å; S56-T60 PolarHBondContact O-N 2.95Å; S56-T60 PolarHBondContact O-OG1 2.82Å; L57-T60 PolarHBondContact O-N 3Å; T60-A63 PolarHBondContact O-N 3.23Å; T60-L64 HydrophobicContact CG2-CD1 4.16Å; T60-L64 WeakPolarHBondContact O-CB 3.31Å; T60-L64 VanDerWaalsContact O-CG 3.26Å; T60-L64 WeakPolarHBondContact O-CG 3.07Å; T60-L64 PolarHBondContact O-N 3.49Å |
| 61 | I | 92.2 | Very high | 90.8 | Very high | 73 Ų | 73 | 75.5 Ų | 75.5 | 37% | 0.374 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.4 | -48.7 | 176.7 | -66.4 | 169.1 | 0 | 0 | 0 | 110.3 | L57 A63 L64 L65 | L57-I61 HydrophobicContact CD1-CD1 3.94Å; L57-I61 HydrophobicContact CD1-CG1 4.35Å; L57-I61 HydrophobicContact CG-CD1 3.83Å; L57-I61 VanDerWaalsContact O-CG1 3.3Å; L57-I61 WeakPolarHBondContact O-CG1 3.39Å; L57-I61 PolarHBondContact O-N 3.22Å; I61-A63 VanDerWaalsContact C-N 3.3Å; I61-A63 PolarHBondContact O-N 3.31Å; I61-L64 PolarHBondContact O-N 3.29Å; I61-L65 HydrophobicContact CG2-CD1 3.95Å; I61-L65 HydrophobicContact CG2-CG 4.26Å; I61-L65 WeakPolarHBondContact O-CB 3.41Å; I61-L65 VanDerWaalsContact O-CG 3.26Å; I61-L65 WeakPolarHBondContact O-CG 3.38Å; I61-L65 PolarHBondContact O-N 3.38Å |
| 62 | G | 91.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -59 | -39.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | L58 I59 L66 T78 | L58-G62 PolarHBondContact O-N 3.22Å; I59-G62 PolarHBondContact O-N 3.06Å; G62-L66 WeakPolarHBondContact O-CB 3.29Å; G62-L66 PolarHBondContact O-N 2.91Å; G62-T78 VanDerWaalsContact O-CG2 3.24Å; G62-T78 WeakPolarHBondContact O-CG2 3.4Å |
| 63 | A | 91.9 | Very high | 88.4 | Confident | 47 Ų | 47 | 79.4 Ų | 79.4 | 39% | 0.388 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -68.2 | -42.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I59 T60 I61 L66 A67 | I59-A63 WeakPolarHBondContact O-CB 3.2Å; I59-A63 PolarHBondContact O-N 3.1Å; T60-A63 PolarHBondContact O-N 3.23Å; I61-A63 VanDerWaalsContact C-N 3.3Å; I61-A63 PolarHBondContact O-N 3.31Å; A63-L66 PolarHBondContact O-N 2.68Å; A63-A67 WeakPolarHBondContact O-CB 3.42Å; A63-A67 PolarHBondContact O-N 2.91Å |
| 64 | L | 91 | Very high | 87.1 | Confident | 68 Ų | 68 | 78.7 Ų | 78.7 | 36% | 0.356 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.7 | -40.2 | 176.2 | -73 | 172.6 | 0 | 0 | 0 | 112.3 | T60 I61 L66 A67 G68 Y69 F70 | T60-L64 HydrophobicContact CG2-CD1 4.16Å; T60-L64 WeakPolarHBondContact O-CB 3.31Å; T60-L64 VanDerWaalsContact O-CG 3.26Å; T60-L64 WeakPolarHBondContact O-CG 3.07Å; T60-L64 PolarHBondContact O-N 3.49Å; I61-L64 PolarHBondContact O-N 3.29Å; L64-L66 VanDerWaalsContact C-N 3.32Å; L64-A67 PolarHBondContact O-N 2.7Å; L64-G68 PolarHBondContact O-N 3.11Å; L64-Y69 WeakPolarHBondContact O-CB 3.4Å; L64-Y69 PolarHBondContact O-N 2.9Å; L64-Y69 VanDerWaalsContact O-N 3.17Å; L64-F70 HydrophobicContact CB-CD2 4.47Å; L64-F70 HydrophobicContact CB-CE2 4.2Å; L64-F70 HydrophobicContact CD1-CE2 4.44Å |
| 65 | L | 88.6 | Confident | 85.9 | Confident | 35 Ų | 35 | 77.2 Ų | 77.2 | 18% | 0.183 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -63.1 | -39.8 | 173.6 | -72.6 | 177.4 | 0 | 0 | 0 | 111.2 | I61 G68 F70 V72 T78 | I61-L65 HydrophobicContact CG2-CD1 3.95Å; I61-L65 HydrophobicContact CG2-CG 4.26Å; I61-L65 WeakPolarHBondContact O-CB 3.41Å; I61-L65 VanDerWaalsContact O-CG 3.26Å; I61-L65 WeakPolarHBondContact O-CG 3.38Å; I61-L65 PolarHBondContact O-N 3.38Å; L65-G68 PolarHBondContact O-N 3.48Å; L65-F70 HydrophobicContact CD2-CB 3.96Å; L65-F70 HydrophobicContact CD2-CD2 4.03Å; L65-F70 HydrophobicContact CD2-CG 4.36Å; L65-V72 HydrophobicContact CD2-CG1 3.45Å; L65-V72 VanDerWaalsContact CD2-CG1 3.45Å; L65-T78 HydrophobicContact CB-CG2 3.52Å |
| 66 | L | 86.1 | Confident | 85 | Confident | 112 Ų | 112 | 82.7 Ų | 82.7 | 59% | 0.586 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -71.3 | -34.2 | 178.7 | -172.9 | 63.3 | 0 | 0 | 0 | 111.9 | G62 A63 L64 G68 T78 L82 | G62-L66 WeakPolarHBondContact O-CB 3.29Å; G62-L66 PolarHBondContact O-N 2.91Å; A63-L66 PolarHBondContact O-N 2.68Å; L64-L66 VanDerWaalsContact C-N 3.32Å; L66-G68 PolarHBondContact O-N 3.43Å; L66-T78 HydrophobicContact CB-CG2 3.83Å; L66-T78 HydrophobicContact CD1-CG2 4.47Å; L66-L82 HydrophobicContact CD2-CD2 4.46Å |
| 67 | A | 87.4 | Confident | 84.1 | Confident | 82 Ų | 82 | 88.8 Ų | 88.8 | 68% | 0.678 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -4.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | A63 L64 Y69 | A63-A67 WeakPolarHBondContact O-CB 3.42Å; A63-A67 PolarHBondContact O-N 2.91Å; L64-A67 PolarHBondContact O-N 2.7Å; A67-Y69 VanDerWaalsContact C-N 3.3Å; A67-Y69 PolarHBondContact O-N 3.39Å |
| 68 | G | 83.7 | Confident | 83.7 | Confident | 56 Ų | 56 | 84.1 Ų | 84.1 | 58% | 0.577 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | 21 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L64 L65 L66 F70 | L64-G68 PolarHBondContact O-N 3.11Å; L65-G68 PolarHBondContact O-N 3.48Å; L66-G68 PolarHBondContact O-N 3.43Å; G68-F70 PolarHBondContact O-N 3.36Å |
| 69 | Y | 84.1 | Confident | 83.4 | Confident | 181 Ų | 181 | 85.5 Ų | 85.5 | 71% | 0.71 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -69.1 | -23.8 | 178.3 | -155.8 | -93.1 | 0 | 0 | 0 | 112.3 | L64 A67 | L64-Y69 WeakPolarHBondContact O-CB 3.4Å; L64-Y69 PolarHBondContact O-N 2.9Å; L64-Y69 VanDerWaalsContact O-N 3.17Å; A67-Y69 VanDerWaalsContact C-N 3.3Å; A67-Y69 PolarHBondContact O-N 3.39Å |
| 70 | F | 78.9 | Confident | 83.2 | Confident | 110 Ų | 110 | 86.6 Ų | 86.6 | 48% | 0.482 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -117.9 | 133.9 | 174 | -62.1 | -76.6 | 0 | 0 | 0 | 109.7 | L64 L65 G68 V72 | L64-F70 HydrophobicContact CB-CD2 4.47Å; L64-F70 HydrophobicContact CB-CE2 4.2Å; L64-F70 HydrophobicContact CD1-CE2 4.44Å; L65-F70 HydrophobicContact CD2-CB 3.96Å; L65-F70 HydrophobicContact CD2-CD2 4.03Å; L65-F70 HydrophobicContact CD2-CG 4.36Å; G68-F70 PolarHBondContact O-N 3.36Å; F70-V72 PolarHBondContact O-N 3.19Å |
| 71 | E | 69.4 | Low | 83.1 | Confident | 206 Ų | 206 | 85.1 Ų | 85.1 | 96% | 0.963 | 47% | 0.47 | S | S | * | . | trans | -72.7 | 92.9 | 174.8 | -149.9 | 177.7 | -159.1 | 0 | 0 | 108.7 | ||||
| 72 | V | 69.6 | Low | 83.1 | Confident | 60 Ų | 60 | 83.5 Ų | 83.5 | 36% | 0.364 | 46% | 0.462 | S | S | . | . | trans | -95.3 | 123.2 | -178.8 | -82.4 | 0 | 0 | 0 | 0 | 111 | L65 F70 H74 A75 | L65-V72 HydrophobicContact CD2-CG1 3.45Å; L65-V72 VanDerWaalsContact CD2-CG1 3.45Å; F70-V72 PolarHBondContact O-N 3.19Å; V72-H74 PolarHBondContact O-N 3.49Å; V72-A75 HydrophobicContact CG2-CB 4.46Å | ||
| 73 | T | 70.4 | Confident | 83.3 | Confident | 133 Ų | 133 | 87.8 Ų | 87.8 | 82% | 0.816 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -62.1 | -24.1 | 176 | -38 | 0 | 0 | 0 | 0 | 112.4 | ||
| 74 | H | 69.6 | Low | 83.5 | Confident | 90 Ų | 90 | 89.8 Ų | 89.8 | 42% | 0.417 | 49% | 0.487 | S | S | . | . | trans | -133.1 | 75.7 | -173.1 | -63.5 | -17.9 | 0 | 0 | 0 | 110.4 | V72 D76 R77 | V72-H74 PolarHBondContact O-N 3.49Å; H74-D76 WeakPolarHBondContact CA-OD1 3.41Å; H74-D76 VanDerWaalsContact CB-OD1 3.23Å; H74-D76 WeakPolarHBondContact CB-OD1 3.34Å; H74-D76 PolarHBondContact O-N 2.92Å; H74-R77 HydrophobicContact CB-CG 4.05Å; H74-R77 VanDerWaalsContact CD2-CZ 3.43Å; H74-R77 PolarHBondContact CD2-NH2 3.22Å; H74-R77 VanDerWaalsContact CD2-NH2 3.35Å; H74-R77 PolarHBondContact O-N 2.95Å; H74-R77 VanDerWaalsContact O-N 3.13Å | ||
| 75 | A | 72.3 | Confident | 83.8 | Confident | 66 Ų | 66 | 86.5 Ų | 86.5 | 55% | 0.545 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | -61.8 | -21.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V72 R77 T78 | V72-A75 HydrophobicContact CG2-CB 4.46Å; A75-R77 PolarHBondContact O-N 3.29Å; A75-T78 WeakPolarHBondContact O-CB 3.33Å; A75-T78 PolarHBondContact O-N 2.65Å; A75-T78 PolarHBondContact O-OG1 3.04Å |
| 76 | D | 77.6 | Confident | 84.2 | Confident | 115 Ų | 115 | 88.4 Ų | 88.4 | 62% | 0.615 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -60.5 | -25.6 | 173.6 | 58.3 | -48.1 | 0 | 0 | 0 | 113.2 | H74 T78 P80 | H74-D76 WeakPolarHBondContact CA-OD1 3.41Å; H74-D76 VanDerWaalsContact CB-OD1 3.23Å; H74-D76 WeakPolarHBondContact CB-OD1 3.34Å; H74-D76 PolarHBondContact O-N 2.92Å; D76-T78 VanDerWaalsContact C-N 3.34Å; D76-P80 VanDerWaalsContact O-CD 3.23Å; D76-P80 WeakPolarHBondContact O-CD 3.36Å |
| 77 | R | 80.3 | Confident | 84.7 | Confident | 159 Ų | 159 | 88.5 Ų | 88.5 | 60% | 0.6 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -80.8 | -13.8 | -179.8 | -60.9 | -176.3 | -176.7 | -174.1 | 1.4 | 113.9 | H74 A75 P80 V81 | H74-R77 HydrophobicContact CB-CG 4.05Å; H74-R77 VanDerWaalsContact CD2-CZ 3.43Å; H74-R77 PolarHBondContact CD2-NH2 3.22Å; H74-R77 VanDerWaalsContact CD2-NH2 3.35Å; H74-R77 PolarHBondContact O-N 2.95Å; H74-R77 VanDerWaalsContact O-N 3.13Å; A75-R77 PolarHBondContact O-N 3.29Å; R77-P80 WeakPolarHBondContact O-CD 3.35Å; R77-V81 WeakPolarHBondContact O-CG2 3.02Å |
| 78 | T | 86.6 | Confident | 85.2 | Confident | 5 Ų | 5 | 86.6 Ų | 86.6 | 3% | 0.031 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -69.4 | -43.2 | -177.1 | -60.1 | 0 | 0 | 0 | 0 | 112.6 | G62 L65 L66 A75 D76 V81 L82 | G62-T78 VanDerWaalsContact O-CG2 3.24Å; G62-T78 WeakPolarHBondContact O-CG2 3.4Å; L65-T78 HydrophobicContact CB-CG2 3.52Å; L66-T78 HydrophobicContact CB-CG2 3.83Å; L66-T78 HydrophobicContact CD1-CG2 4.47Å; A75-T78 WeakPolarHBondContact O-CB 3.33Å; A75-T78 PolarHBondContact O-N 2.65Å; A75-T78 PolarHBondContact O-OG1 3.04Å; D76-T78 VanDerWaalsContact C-N 3.34Å; T78-V81 PolarHBondContact O-N 3.04Å; T78-L82 PolarHBondContact O-N 2.8Å; T78-L82 VanDerWaalsContact O-N 3.09Å |
| 79 | V | 89.1 | Confident | 85.8 | Confident | 76 Ų | 76 | 86.3 Ų | 86.3 | 46% | 0.461 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.8 | -45.7 | -176 | 179.7 | 0 | 0 | 0 | 0 | 111.8 | V81 L82 I83 | V79-V81 VanDerWaalsContact C-N 3.35Å; V79-V81 PolarHBondContact O-N 3.21Å; V79-L82 PolarHBondContact O-N 3.33Å; V79-I83 HydrophobicContact CG1-CD1 3.84Å; V79-I83 HydrophobicContact CG1-CG1 4.4Å; V79-I83 VanDerWaalsContact O-CG1 3.32Å; V79-I83 WeakPolarHBondContact O-CG1 3.21Å; V79-I83 PolarHBondContact O-N 2.88Å |
| 80 | P | 92.4 | Very high | 86.4 | Confident | 65 Ų | 65 | 82.5 Ų | 82.5 | 42% | 0.422 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -57.9 | -41.7 | 173.5 | -26.7 | 34.7 | 0 | 0 | 0 | 113.9 | D76 R77 L82 I83 I84 | D76-P80 VanDerWaalsContact O-CD 3.23Å; D76-P80 WeakPolarHBondContact O-CD 3.36Å; R77-P80 WeakPolarHBondContact O-CD 3.35Å; P80-L82 VanDerWaalsContact C-N 3.33Å; P80-L82 PolarHBondContact O-N 2.89Å; P80-I83 PolarHBondContact O-N 3.42Å; P80-I84 VanDerWaalsContact O-CG1 3.26Å; P80-I84 WeakPolarHBondContact O-CG1 3.43Å; P80-I84 PolarHBondContact O-N 2.72Å |
| 81 | V | 92 | Very high | 87.1 | Confident | 49 Ų | 49 | 79.8 Ų | 79.8 | 30% | 0.297 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 178.3 | 173 | 0 | 0 | 0 | 0 | 110.9 | R77 T78 V79 I84 G85 | R77-V81 WeakPolarHBondContact O-CG2 3.02Å; T78-V81 PolarHBondContact O-N 3.04Å; V79-V81 VanDerWaalsContact C-N 3.35Å; V79-V81 PolarHBondContact O-N 3.21Å; V81-I84 PolarHBondContact O-N 2.91Å; V81-G85 PolarHBondContact O-N 3.24Å |
| 82 | L | 93.8 | Very high | 88.2 | Confident | 39 Ų | 39 | 70 Ų | 70 | 20% | 0.204 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 177 | -174.4 | 65.7 | 0 | 0 | 0 | 111.6 | I59 L66 T78 V79 P80 G85 I86 | I59-L82 HydrophobicContact CB-CD1 4.47Å; I59-L82 HydrophobicContact CG2-CD1 4.09Å; L66-L82 HydrophobicContact CD2-CD2 4.46Å; T78-L82 PolarHBondContact O-N 2.8Å; T78-L82 VanDerWaalsContact O-N 3.09Å; V79-L82 PolarHBondContact O-N 3.33Å; P80-L82 VanDerWaalsContact C-N 3.33Å; P80-L82 PolarHBondContact O-N 2.89Å; L82-G85 PolarHBondContact O-N 3.37Å; L82-I86 HydrophobicContact CG-CD1 4.24Å; L82-I86 WeakPolarHBondContact O-CG1 3.49Å; L82-I86 PolarHBondContact O-N 3.4Å |
| 83 | I | 95.6 | Very high | 89.5 | Confident | 89 Ų | 89 | 72.1 Ų | 72.1 | 46% | 0.456 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.3 | -47.9 | 177.6 | -68.2 | 167 | 0 | 0 | 0 | 110.6 | V79 P80 G85 I86 L87 | V79-I83 HydrophobicContact CG1-CD1 3.84Å; V79-I83 HydrophobicContact CG1-CG1 4.4Å; V79-I83 VanDerWaalsContact O-CG1 3.32Å; V79-I83 WeakPolarHBondContact O-CG1 3.21Å; V79-I83 PolarHBondContact O-N 2.88Å; P80-I83 PolarHBondContact O-N 3.42Å; I83-G85 VanDerWaalsContact C-N 3.32Å; I83-G85 PolarHBondContact O-N 2.96Å; I83-I86 PolarHBondContact O-N 2.94Å; I83-L87 HydrophobicContact CG2-CD1 4.03Å; I83-L87 HydrophobicContact CG2-CG 4.41Å; I83-L87 WeakPolarHBondContact O-CG 3.16Å; I83-L87 PolarHBondContact O-N 3.23Å |
| 84 | I | 95.8 | Very high | 90.6 | Very high | 89 Ų | 89 | 72.2 Ų | 72.2 | 46% | 0.456 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 178.2 | -67 | 165.2 | 0 | 0 | 0 | 110.4 | L58 P80 V81 I86 L87 V88 | L58-I84 HydrophobicContact CD2-CG2 3.89Å; P80-I84 VanDerWaalsContact O-CG1 3.26Å; P80-I84 WeakPolarHBondContact O-CG1 3.43Å; P80-I84 PolarHBondContact O-N 2.72Å; V81-I84 PolarHBondContact O-N 2.91Å; I84-I86 VanDerWaalsContact C-N 3.33Å; I84-I86 PolarHBondContact O-N 3.45Å; I84-L87 PolarHBondContact O-N 3.4Å; I84-V88 HydrophobicContact CG2-CG2 4.3Å; I84-V88 WeakPolarHBondContact O-CG2 3.24Å; I84-V88 PolarHBondContact O-N 2.9Å |
| 85 | G | 96.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -56.2 | -46.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | I59 V81 L82 I83 V88 F89 | I59-G85 VanDerWaalsContact CG1-C 3.49Å; V81-G85 PolarHBondContact O-N 3.24Å; L82-G85 PolarHBondContact O-N 3.37Å; I83-G85 VanDerWaalsContact C-N 3.32Å; I83-G85 PolarHBondContact O-N 2.96Å; G85-V88 PolarHBondContact O-N 3.24Å; G85-F89 WeakPolarHBondContact O-CB 3.26Å; G85-F89 PolarHBondContact O-N 3.49Å |
| 86 | I | 96.8 | Very high | 92.6 | Very high | 74 Ų | 74 | 69.3 Ų | 69.3 | 38% | 0.379 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.2 | -48.4 | 176.2 | -67.5 | 168.5 | 0 | 0 | 0 | 110.8 | I59 L82 I83 I84 V88 F89 L90 | I59-I86 HydrophobicContact CD1-CG1 4.03Å; I59-I86 HydrophobicContact CG1-CG1 4.05Å; L82-I86 HydrophobicContact CG-CD1 4.24Å; L82-I86 WeakPolarHBondContact O-CG1 3.49Å; L82-I86 PolarHBondContact O-N 3.4Å; I83-I86 PolarHBondContact O-N 2.94Å; I84-I86 VanDerWaalsContact C-N 3.33Å; I84-I86 PolarHBondContact O-N 3.45Å; I86-V88 VanDerWaalsContact C-N 3.29Å; I86-V88 PolarHBondContact O-N 2.9Å; I86-F89 PolarHBondContact O-N 3.43Å; I86-L90 HydrophobicContact CG2-CD1 3.61Å; I86-L90 WeakPolarHBondContact O-CD1 3.41Å; I86-L90 PolarHBondContact O-N 2.95Å |
| 87 | L | 97.3 | Very high | 93.4 | Very high | 114 Ų | 114 | 68.1 Ų | 68.1 | 60% | 0.597 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -61.5 | -35.7 | -179.1 | -70.3 | 175.7 | 0 | 0 | 0 | 113 | I83 I84 P91 | I83-L87 HydrophobicContact CG2-CD1 4.03Å; I83-L87 HydrophobicContact CG2-CG 4.41Å; I83-L87 WeakPolarHBondContact O-CG 3.16Å; I83-L87 PolarHBondContact O-N 3.23Å; I84-L87 PolarHBondContact O-N 3.4Å; L87-P91 WeakPolarHBondContact O-CD 3.44Å |
| 88 | V | 96.8 | Very high | 93.9 | Very high | 42 Ų | 42 | 60.9 Ų | 60.9 | 26% | 0.255 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -78.3 | -35.6 | 176.5 | 175.6 | 0 | 0 | 0 | 0 | 111.6 | L51 I54 I84 G85 I86 P91 | L51-V88 HydrophobicContact CB-CG1 4.41Å; L51-V88 HydrophobicContact CG-CG1 4.23Å; I54-V88 HydrophobicContact CG2-CG1 4.47Å; I84-V88 HydrophobicContact CG2-CG2 4.3Å; I84-V88 WeakPolarHBondContact O-CG2 3.24Å; I84-V88 PolarHBondContact O-N 2.9Å; G85-V88 PolarHBondContact O-N 3.24Å; I86-V88 VanDerWaalsContact C-N 3.29Å; I86-V88 PolarHBondContact O-N 2.9Å; V88-P91 WeakPolarHBondContact O-CD 3.27Å; V88-P91 WeakPolarHBondContact O-CG 3.3Å |
| 89 | F | 96.7 | Very high | 94.1 | Very high | 50 Ų | 50 | 61 Ų | 61 | 22% | 0.219 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.9 | -43.3 | -179.6 | 176.8 | -92.3 | 0 | 0 | 0 | 112.9 | F52 S56 I59 G85 I86 G92 F93 | F52-F89 AromaticContact CD2-CD2 3.92Å; F52-F89 HydrophobicContact CD2-CD2 3.92Å; F52-F89 AromaticContact CD2-CE2 3.47Å; F52-F89 HydrophobicContact CD2-CE2 3.47Å; F52-F89 VanDerWaalsContact CD2-CE2 3.47Å; F52-F89 HydrophobicContact CD2-CZ 4.11Å; F52-F89 HydrophobicContact CE2-CD2 4.1Å; F52-F89 AromaticContact CE2-CE2 3.2Å; F52-F89 HydrophobicContact CE2-CE2 3.2Å; F52-F89 AromaticContact CE2-CZ 3.67Å; F52-F89 HydrophobicContact CE2-CZ 3.67Å; F52-F89 HydrophobicContact CZ-CE2 4.16Å; S56-F89 WeakPolarHBondContact OG-CD2 3.45Å; S56-F89 VanDerWaalsContact OG-CE2 3.31Å; S56-F89 WeakPolarHBondContact OG-CE2 3.36Å; I59-F89 HydrophobicContact CD1-CB 3.61Å; I59-F89 HydrophobicContact CD1-CD1 4.3Å; I59-F89 HydrophobicContact CD1-CD2 4.13Å; I59-F89 HydrophobicContact CD1-CG 3.77Å; G85-F89 WeakPolarHBondContact O-CB 3.26Å; G85-F89 PolarHBondContact O-N 3.49Å; I86-F89 PolarHBondContact O-N 3.43Å; F89-G92 PolarHBondContact O-N 2.84Å; F89-F93 HydrophobicContact CD1-CB 4.21Å; F89-F93 HydrophobicContact CE1-CB 3.8Å; F89-F93 HydrophobicContact CE1-CD1 4.44Å; F89-F93 HydrophobicContact CE1-CG 4.02Å; F89-F93 HydrophobicContact CZ-CB 3.98Å; F89-F93 HydrophobicContact CZ-CD2 4.16Å; F89-F93 HydrophobicContact CZ-CG 4.08Å; F89-F93 WeakPolarHBondContact O-CB 2.87Å; F89-F93 PolarHBondContact O-N 2.97Å |
| 90 | L | 96.4 | Very high | 94.2 | Very high | 101 Ų | 101 | 63 Ų | 63 | 53% | 0.529 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -51.9 | -56.1 | -177 | -100.1 | 71.9 | 0 | 0 | 0 | 113.6 | I86 G92 Y94 | I86-L90 HydrophobicContact CG2-CD1 3.61Å; I86-L90 WeakPolarHBondContact O-CD1 3.41Å; I86-L90 PolarHBondContact O-N 2.95Å; L90-G92 PolarHBondContact O-N 3.44Å; L90-Y94 VanDerWaalsContact O-CB 3.3Å; L90-Y94 WeakPolarHBondContact O-CB 3.25Å; L90-Y94 PolarHBondContact O-N 3.32Å |
| 91 | P | 93.9 | Very high | 94.1 | Very high | 53 Ų | 53 | 63.3 Ų | 63.3 | 34% | 0.344 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.5 | -37.9 | 179.3 | 24.1 | -32.6 | 0 | 0 | 0 | 112.3 | L51 L87 V88 H95 | L51-P91 HydrophobicContact CD2-CB 4.49Å; L51-P91 HydrophobicContact CD2-CG 4.21Å; L87-P91 WeakPolarHBondContact O-CD 3.44Å; V88-P91 WeakPolarHBondContact O-CD 3.27Å; V88-P91 WeakPolarHBondContact O-CG 3.3Å; P91-H95 PolarHBondContact O-CD2 3.32Å; P91-H95 PolarHBondContact O-N 3.46Å |
| 92 | G | 93.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.9 | -49.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A48 F89 L90 L96 | A48-G92 WeakPolarHBondContact O-CA 3.49Å; F89-G92 PolarHBondContact O-N 2.84Å; L90-G92 PolarHBondContact O-N 3.44Å; G92-L96 WeakPolarHBondContact O-CB 3.02Å; G92-L96 PolarHBondContact O-N 2.93Å |
| 93 | F | 95.3 | Very high | 93.5 | Very high | 106 Ų | 106 | 63 Ų | 63 | 47% | 0.465 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.4 | -42.9 | 178.4 | 179.7 | -110.4 | 0 | 0 | 0 | 112.2 | F52 F89 L96 R97 | F52-F93 HydrophobicContact CD2-CB 4Å; F52-F93 HydrophobicContact CD2-CD2 4.15Å; F52-F93 HydrophobicContact CE2-CB 4.39Å; F52-F93 AromaticContact CE2-CD2 3.79Å; F52-F93 HydrophobicContact CE2-CD2 3.79Å; F89-F93 HydrophobicContact CD1-CB 4.21Å; F89-F93 HydrophobicContact CE1-CB 3.8Å; F89-F93 HydrophobicContact CE1-CD1 4.44Å; F89-F93 HydrophobicContact CE1-CG 4.02Å; F89-F93 HydrophobicContact CZ-CB 3.98Å; F89-F93 HydrophobicContact CZ-CD2 4.16Å; F89-F93 HydrophobicContact CZ-CG 4.08Å; F89-F93 WeakPolarHBondContact O-CB 2.87Å; F89-F93 PolarHBondContact O-N 2.97Å; F93-L96 PolarHBondContact O-N 3.33Å; F93-R97 WeakPolarHBondContact O-CB 3.36Å; F93-R97 PolarHBondContact O-N 2.93Å |
| 94 | Y | 93.3 | Very high | 93.1 | Very high | 135 Ų | 135 | 64.5 Ų | 64.5 | 53% | 0.529 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.1 | -51.9 | -179.3 | 175.7 | -100.7 | 0 | 0 | 0 | 112.1 | L90 R97 I98 | L90-Y94 VanDerWaalsContact O-CB 3.3Å; L90-Y94 WeakPolarHBondContact O-CB 3.25Å; L90-Y94 PolarHBondContact O-N 3.32Å; Y94-R97 PolarHBondContact O-N 3.04Å; Y94-I98 HydrophobicContact CD1-CD1 4.1Å; Y94-I98 HydrophobicContact CE1-CD1 3.53Å; Y94-I98 HydrophobicContact CE2-CD1 4.03Å; Y94-I98 VanDerWaalsContact CZ-CD1 3.49Å; Y94-I98 WeakPolarHBondContact O-CG1 3.24Å; Y94-I98 PolarHBondContact O-N 3.35Å |
| 95 | H | 92.8 | Very high | 92.4 | Very high | 50 Ų | 50 | 63.1 Ų | 63.1 | 23% | 0.231 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -71.4 | -37.5 | -179.4 | -70.6 | -62 | 0 | 0 | 0 | 112.5 | A48 P91 R97 I98 A99 | A48-H95 HydrophobicContact CB-CB 3.75Å; P91-H95 PolarHBondContact O-CD2 3.32Å; P91-H95 PolarHBondContact O-N 3.46Å; H95-R97 VanDerWaalsContact C-N 3.28Å; H95-R97 PolarHBondContact O-N 2.93Å; H95-I98 PolarHBondContact O-N 2.66Å; H95-A99 WeakPolarHBondContact O-CB 3.32Å; H95-A99 PolarHBondContact O-N 2.98Å |
| 96 | L | 92.7 | Very high | 91.9 | Very high | 45 Ų | 45 | 69 Ų | 69 | 24% | 0.236 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.7 | -37.2 | 176.7 | -172.5 | 61.7 | 0 | 0 | 0 | 111.7 | F52 G92 F93 A99 Y100 | F52-L96 HydrophobicContact CB-CD2 4.2Å; F52-L96 HydrophobicContact CD1-CD2 3.87Å; F52-L96 HydrophobicContact CD2-CD2 4.44Å; F52-L96 HydrophobicContact CE1-CD2 4.38Å; F52-L96 HydrophobicContact CG-CD2 3.91Å; G92-L96 WeakPolarHBondContact O-CB 3.02Å; G92-L96 PolarHBondContact O-N 2.93Å; F93-L96 PolarHBondContact O-N 3.33Å; L96-A99 PolarHBondContact O-N 3.4Å; L96-Y100 WeakPolarHBondContact O-CB 3.5Å; L96-Y100 PolarHBondContact O-N 3.27Å |
| 97 | R | 93.3 | Very high | 91.1 | Very high | 89 Ų | 89 | 77.1 Ų | 77.1 | 34% | 0.336 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.6 | -47.4 | 175.3 | 178.9 | -95.7 | -177.3 | 176.5 | -8.6 | 111.6 | F93 Y94 H95 Y100 Y101 Y109 | F93-R97 WeakPolarHBondContact O-CB 3.36Å; F93-R97 PolarHBondContact O-N 2.93Å; Y94-R97 PolarHBondContact O-N 3.04Å; H95-R97 VanDerWaalsContact C-N 3.28Å; H95-R97 PolarHBondContact O-N 2.93Å; R97-Y100 PolarHBondContact O-N 2.95Å; R97-Y101 HydrophobicContact CG-CD2 3.79Å; R97-Y101 HydrophobicContact CG-CE2 3.58Å; R97-Y101 VanDerWaalsContact NE-CD2 3.33Å; R97-Y101 WeakPolarHBondContact O-CD2 3.26Å; R97-Y101 PolarHBondContact O-N 3.32Å; R97-Y109 VanDerWaalsContact NH1-CE1 3.26Å; R97-Y109 PolarHBondContact NH1-OH 2.88Å; R97-Y109 VanDerWaalsContact NH1-OH 3.15Å; R97-Y109 PolarHBondContact NH2-OH 3.22Å |
| 98 | I | 91.6 | Very high | 90.3 | Very high | 7 Ų | 7 | 75.3 Ų | 75.3 | 4% | 0.036 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62 | -46.5 | 177.1 | -66.9 | 169 | 0 | 0 | 0 | 110.3 | Y94 H95 Y100 Y101 A102 Y109 D113 I114 | Y94-I98 HydrophobicContact CD1-CD1 4.1Å; Y94-I98 HydrophobicContact CE1-CD1 3.53Å; Y94-I98 HydrophobicContact CE2-CD1 4.03Å; Y94-I98 VanDerWaalsContact CZ-CD1 3.49Å; Y94-I98 WeakPolarHBondContact O-CG1 3.24Å; Y94-I98 PolarHBondContact O-N 3.35Å; H95-I98 PolarHBondContact O-N 2.66Å; I98-Y100 VanDerWaalsContact C-N 3.31Å; I98-Y100 PolarHBondContact O-N 2.99Å; I98-Y101 PolarHBondContact O-N 3.3Å; I98-A102 VanDerWaalsContact O-CB 3.32Å; I98-A102 WeakPolarHBondContact O-CB 3.38Å; I98-A102 PolarHBondContact O-N 3.28Å; I98-Y109 HydrophobicContact CG1-CD1 4.47Å; I98-Y109 HydrophobicContact CG2-CD1 4.38Å; I98-D113 HydrophobicContact CG2-CB 4Å; I98-I114 HydrophobicContact CG2-CG1 4.14Å |
| 99 | A | 90.7 | Very high | 89.6 | Confident | 7 Ų | 7 | 76.5 Ų | 76.5 | 6% | 0.058 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -57.7 | -43.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I45 H95 L96 A102 S103 I114 | I45-A99 HydrophobicContact CD1-CB 4.21Å; I45-A99 HydrophobicContact CG1-CB 3.95Å; H95-A99 WeakPolarHBondContact O-CB 3.32Å; H95-A99 PolarHBondContact O-N 2.98Å; L96-A99 PolarHBondContact O-N 3.4Å; A99-A102 PolarHBondContact O-N 3.25Å; A99-S103 WeakPolarHBondContact O-CB 3.35Å; A99-S103 PolarHBondContact O-N 3.4Å; A99-I114 HydrophobicContact CB-CD1 3.65Å |
| 100 | Y | 90.8 | Very high | 88.9 | Confident | 119 Ų | 119 | 75.8 Ų | 75.8 | 47% | 0.467 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.5 | -49 | 176.5 | 179 | -99.1 | 0 | 0 | 0 | 112.1 | L96 R97 I98 A102 S103 K104 | L96-Y100 WeakPolarHBondContact O-CB 3.5Å; L96-Y100 PolarHBondContact O-N 3.27Å; R97-Y100 PolarHBondContact O-N 2.95Å; I98-Y100 VanDerWaalsContact C-N 3.31Å; I98-Y100 PolarHBondContact O-N 2.99Å; Y100-A102 PolarHBondContact O-N 2.93Å; Y100-S103 PolarHBondContact O-N 3.44Å; Y100-S103 PolarHBondContact O-OG 3.44Å; Y100-K104 HydrophobicContact CE1-CD 4Å; Y100-K104 PolarHBondContact O-N 3.24Å; Y100-K104 VanDerWaalsContact O-N 3.16Å; Y100-K104 WeakPolarHBondContact OH-CE 3.41Å; Y100-K104 PolarHBondContact OH-NZ 3.36Å |
| 101 | Y | 89.7 | Confident | 88.3 | Confident | 72 Ų | 72 | 73 Ų | 73 | 28% | 0.282 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.4 | -35.1 | 179.1 | -75 | -65.1 | 0 | 0 | 0 | 112.8 | R97 I98 K104 G105 Y106 Y109 | R97-Y101 HydrophobicContact CG-CD2 3.79Å; R97-Y101 HydrophobicContact CG-CE2 3.58Å; R97-Y101 VanDerWaalsContact NE-CD2 3.33Å; R97-Y101 WeakPolarHBondContact O-CD2 3.26Å; R97-Y101 PolarHBondContact O-N 3.32Å; I98-Y101 PolarHBondContact O-N 3.3Å; Y101-K104 PolarHBondContact O-N 2.98Å; Y101-G105 PolarHBondContact O-N 3.42Å; Y101-Y106 HydrophobicContact CD1-CD1 4.43Å; Y101-Y106 AromaticContact CD1-CD2 3.65Å; Y101-Y106 HydrophobicContact CD1-CD2 3.65Å; Y101-Y106 HydrophobicContact CD1-CE2 4Å; Y101-Y106 AromaticContact CD1-CG 3.89Å; Y101-Y106 HydrophobicContact CD1-CG 3.89Å; Y101-Y106 HydrophobicContact CE1-CD2 4.42Å; Y101-Y106 HydrophobicContact CE1-CE2 4.36Å; Y101-Y106 PolarHBondContact O-N 2.91Å; Y101-Y106 VanDerWaalsContact O-N 3.09Å; Y101-Y109 HydrophobicContact CD2-CD1 4.47Å; Y101-Y109 HydrophobicContact CD2-CE1 4.17Å; Y101-Y109 HydrophobicContact CG-CD1 4.36Å; Y101-Y109 HydrophobicContact CG-CD2 4.26Å; Y101-Y109 HydrophobicContact CG-CE1 4.36Å; Y101-Y109 HydrophobicContact CG-CE2 4.25Å; Y101-Y109 HydrophobicContact CG-CG 4.34Å |
| 102 | A | 88.1 | Confident | 87.6 | Confident | 12 Ų | 12 | 74.9 Ų | 74.9 | 10% | 0.099 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | I98 A99 Y100 K104 G105 Y111 | I98-A102 VanDerWaalsContact O-CB 3.32Å; I98-A102 WeakPolarHBondContact O-CB 3.38Å; I98-A102 PolarHBondContact O-N 3.28Å; A99-A102 PolarHBondContact O-N 3.25Å; Y100-A102 PolarHBondContact O-N 2.93Å; A102-K104 VanDerWaalsContact C-N 3.28Å; A102-K104 PolarHBondContact O-N 3.28Å; A102-G105 PolarHBondContact O-N 3.09Å; A102-Y111 HydrophobicContact CB-CD1 3.98Å; A102-Y111 HydrophobicContact CB-CD2 4.34Å; A102-Y111 HydrophobicContact CB-CE1 3.94Å; A102-Y111 HydrophobicContact CB-CE2 4.31Å; A102-Y111 HydrophobicContact CB-CG 4.19Å |
| 103 | S | 85.4 | Confident | 87 | Confident | 70 Ų | 70 | 79.1 Ų | 79.1 | 49% | 0.49 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.2 | -32.4 | 177.2 | 77.1 | 0 | 0 | 0 | 0 | 113.8 | A99 Y100 G105 Y111 | A99-S103 WeakPolarHBondContact O-CB 3.35Å; A99-S103 PolarHBondContact O-N 3.4Å; Y100-S103 PolarHBondContact O-N 3.44Å; Y100-S103 PolarHBondContact O-OG 3.44Å; S103-G105 VanDerWaalsContact C-N 3.31Å; S103-Y111 WeakPolarHBondContact CA-OH 3.3Å; S103-Y111 VanDerWaalsContact CB-OH 3.26Å; S103-Y111 WeakPolarHBondContact CB-OH 3.16Å |
| 104 | K | 86.8 | Confident | 86.3 | Confident | 119 Ų | 119 | 74.7 Ų | 74.7 | 52% | 0.517 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -3.3 | 175.7 | -80.7 | -165.4 | 169.5 | -176.1 | 0 | 113.5 | Y100 Y101 A102 Y106 | Y100-K104 HydrophobicContact CE1-CD 4Å; Y100-K104 PolarHBondContact O-N 3.24Å; Y100-K104 VanDerWaalsContact O-N 3.16Å; Y100-K104 WeakPolarHBondContact OH-CE 3.41Å; Y100-K104 PolarHBondContact OH-NZ 3.36Å; Y101-K104 PolarHBondContact O-N 2.98Å; A102-K104 VanDerWaalsContact C-N 3.28Å; A102-K104 PolarHBondContact O-N 3.28Å; K104-Y106 VanDerWaalsContact C-N 3.34Å; K104-Y106 HydrophobicContact CB-CD2 3.59Å; K104-Y106 HydrophobicContact CB-CE2 3.68Å; K104-Y106 HydrophobicContact CD-CE2 3.86Å; K104-Y106 HydrophobicContact CG-CE2 4.43Å; K104-Y106 PolarHBondContact O-N 3.39Å |
| 105 | G | 82.5 | Confident | 85.6 | Confident | 61 Ų | 61 | 71 Ų | 71 | 63% | 0.629 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | 27.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | Y101 A102 S103 R107 | Y101-G105 PolarHBondContact O-N 3.42Å; A102-G105 PolarHBondContact O-N 3.09Å; S103-G105 VanDerWaalsContact C-N 3.31Å; G105-R107 PolarHBondContact O-N 3.45Å |
| 106 | Y | 84.3 | Confident | 84.8 | Confident | 124 Ų | 124 | 73.1 Ų | 73.1 | 49% | 0.486 | 38% | 0.377 | S | S | . | . | trans | -64.6 | 134 | 174.4 | -83 | -95.9 | 0 | 0 | 0 | 110.4 | Y101 K104 G108 Y109 | Y101-Y106 HydrophobicContact CD1-CD1 4.43Å; Y101-Y106 AromaticContact CD1-CD2 3.65Å; Y101-Y106 HydrophobicContact CD1-CD2 3.65Å; Y101-Y106 HydrophobicContact CD1-CE2 4Å; Y101-Y106 AromaticContact CD1-CG 3.89Å; Y101-Y106 HydrophobicContact CD1-CG 3.89Å; Y101-Y106 HydrophobicContact CE1-CD2 4.42Å; Y101-Y106 HydrophobicContact CE1-CE2 4.36Å; Y101-Y106 PolarHBondContact O-N 2.91Å; Y101-Y106 VanDerWaalsContact O-N 3.09Å; K104-Y106 VanDerWaalsContact C-N 3.34Å; K104-Y106 HydrophobicContact CB-CD2 3.59Å; K104-Y106 HydrophobicContact CB-CE2 3.68Å; K104-Y106 HydrophobicContact CD-CE2 3.86Å; K104-Y106 HydrophobicContact CG-CE2 4.43Å; K104-Y106 PolarHBondContact O-N 3.39Å; Y106-G108 PolarHBondContact O-N 3.17Å; Y106-Y109 PolarHBondContact O-N 3.38Å | ||
| 107 | R | 81.1 | Confident | 83.8 | Confident | 244 Ų | 244 | 75.7 Ų | 75.7 | 92% | 0.921 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 129.5 | 177.1 | -64.3 | 178.4 | 67.1 | -178.8 | 0.6 | 109.8 | G105 | G105-R107 PolarHBondContact O-N 3.45Š|
| 108 | G | 81.2 | Confident | 82.4 | Confident | 75 Ų | 75 | 74.1 Ų | 74.1 | 77% | 0.773 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.5 | 6.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y106 | Y106-G108 PolarHBondContact O-N 3.17Š|
| 109 | Y | 82 | Confident | 80.9 | Confident | 68 Ų | 68 | 84.8 Ų | 84.8 | 27% | 0.267 | 44% | 0.442 | S | S | . | . | trans | -119.1 | 122.8 | 170.6 | -63.8 | -86 | 0 | 0 | 0 | 109.3 | R97 I98 Y101 Y106 | R97-Y109 VanDerWaalsContact NH1-CE1 3.26Å; R97-Y109 PolarHBondContact NH1-OH 2.88Å; R97-Y109 VanDerWaalsContact NH1-OH 3.15Å; R97-Y109 PolarHBondContact NH2-OH 3.22Å; I98-Y109 HydrophobicContact CG1-CD1 4.47Å; I98-Y109 HydrophobicContact CG2-CD1 4.38Å; Y101-Y109 HydrophobicContact CD2-CD1 4.47Å; Y101-Y109 HydrophobicContact CD2-CE1 4.17Å; Y101-Y109 HydrophobicContact CG-CD1 4.36Å; Y101-Y109 HydrophobicContact CG-CD2 4.26Å; Y101-Y109 HydrophobicContact CG-CE1 4.36Å; Y101-Y109 HydrophobicContact CG-CE2 4.25Å; Y101-Y109 HydrophobicContact CG-CG 4.34Å; Y106-Y109 PolarHBondContact O-N 3.38Å | ||
| 110 | S | 81.8 | Confident | 80.4 | Confident | 35 Ų | 35 | 88.7 Ų | 88.7 | 25% | 0.245 | 46% | 0.461 | C | S | . | . | trans | -120 | 152.8 | 172.4 | -168.1 | 0 | 0 | 0 | 0 | 110.3 | D112 D113 | S110-D112 PolarHBondContact O-N 2.82Å; S110-D112 WeakPolarHBondContact OG-CB 3.37Å; S110-D112 VanDerWaalsContact OG-CG 3.24Å; S110-D112 PolarHBondContact OG-N 2.89Å; S110-D112 PolarHBondContact OG-OD2 2.93Å; S110-D112 VanDerWaalsContact OG-OD2 3.06Å; S110-D113 PolarHBondContact N-OD2 3.46Å; S110-D113 WeakPolarHBondContact O-CB 3.23Å; S110-D113 PolarHBondContact O-N 3.32Å | ||
| 111 | Y | 82.9 | Confident | 79.9 | Confident | 42 Ų | 42 | 87.1 Ų | 87.1 | 17% | 0.165 | 46% | 0.461 | C | S | . | . | G | 310 helix | trans | -65.2 | -20.8 | 165.3 | -71.1 | -63.4 | 0 | 0 | 0 | 112 | V40 P41 I45 A102 S103 D113 I114 | V40-Y111 HydrophobicContact CG1-CD1 4.48Å; V40-Y111 HydrophobicContact CG1-CE1 4.1Å; V40-Y111 HydrophobicContact CG2-CD2 4.26Å; V40-Y111 HydrophobicContact CG2-CE2 3.88Å; P41-Y111 HydrophobicContact CG-CD1 4.35Å; I45-Y111 HydrophobicContact CD1-CE1 4.11Å; A102-Y111 HydrophobicContact CB-CD1 3.98Å; A102-Y111 HydrophobicContact CB-CD2 4.34Å; A102-Y111 HydrophobicContact CB-CE1 3.94Å; A102-Y111 HydrophobicContact CB-CE2 4.31Å; A102-Y111 HydrophobicContact CB-CG 4.19Å; S103-Y111 WeakPolarHBondContact CA-OH 3.3Å; S103-Y111 VanDerWaalsContact CB-OH 3.26Å; S103-Y111 WeakPolarHBondContact CB-OH 3.16Å; Y111-D113 PolarHBondContact O-N 3.26Å; Y111-I114 HydrophobicContact CD1-CD1 3.93Å; Y111-I114 WeakPolarHBondContact O-CB 3.46Å; Y111-I114 PolarHBondContact O-N 3.31Å; Y111-I114 VanDerWaalsContact O-N 3.1Å |
| 112 | D | 80.6 | Confident | 79.3 | Confident | 92 Ų | 92 | 87.9 Ų | 87.9 | 49% | 0.492 | 47% | 0.471 | S | S | . | . | G | 310 helix | trans | -61.4 | -20 | 173.6 | -56.6 | -28 | 0 | 0 | 0 | 112.6 | K35 S110 I114 | K35-D112 IonicContact NZ-OD2 2.73Å; K35-D112 PolarHBondContact NZ-OD2 3.33Å; S110-D112 PolarHBondContact O-N 2.82Å; S110-D112 WeakPolarHBondContact OG-CB 3.37Å; S110-D112 VanDerWaalsContact OG-CG 3.24Å; S110-D112 PolarHBondContact OG-N 2.89Å; S110-D112 PolarHBondContact OG-OD2 2.93Å; S110-D112 VanDerWaalsContact OG-OD2 3.06Å; D112-I114 VanDerWaalsContact C-N 3.25Å; D112-I114 PolarHBondContact O-N 3.29Å |
| 113 | D | 80.1 | Confident | 78.8 | Confident | 90 Ų | 90 | 92.4 Ų | 92.4 | 48% | 0.481 | 49% | 0.493 | S | S | . | . | G | 310 helix | trans | -82.8 | -3.3 | 179.1 | -56.7 | -46.5 | 0 | 0 | 0 | 112.7 | I98 S110 Y111 | I98-D113 HydrophobicContact CG2-CB 4Å; S110-D113 PolarHBondContact N-OD2 3.46Å; S110-D113 WeakPolarHBondContact O-CB 3.23Å; S110-D113 PolarHBondContact O-N 3.32Å; Y111-D113 PolarHBondContact O-N 3.26Å |
| 114 | I | 80.7 | Confident | 78.4 | Confident | 12 Ų | 12 | 93.8 Ų | 93.8 | 6% | 0.062 | 49% | 0.493 | C | S | . | . | S | Bend | trans | -100.1 | 131.1 | 178.8 | -54.7 | 177.1 | 0 | 0 | 0 | 108.2 | P41 A44 I45 I98 A99 Y111 D112 D116 | P41-I114 HydrophobicContact CG-CB 3.99Å; P41-I114 HydrophobicContact CG-CD1 4.08Å; P41-I114 HydrophobicContact CG-CG2 4.11Å; A44-I114 HydrophobicContact CB-CG2 3.41Å; A44-I114 VanDerWaalsContact CB-CG2 3.41Å; I45-I114 HydrophobicContact CG1-CD1 4.33Å; I98-I114 HydrophobicContact CG2-CG1 4.14Å; A99-I114 HydrophobicContact CB-CD1 3.65Å; Y111-I114 HydrophobicContact CD1-CD1 3.93Å; Y111-I114 WeakPolarHBondContact O-CB 3.46Å; Y111-I114 PolarHBondContact O-N 3.31Å; Y111-I114 VanDerWaalsContact O-N 3.1Å; D112-I114 VanDerWaalsContact C-N 3.25Å; D112-I114 PolarHBondContact O-N 3.29Å; I114-D116 PolarHBondContact O-N 2.97Å |
| 115 | P | 78.3 | Confident | 77.9 | Confident | 57 Ų | 57 | 92.1 Ų | 92.1 | 37% | 0.37 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 130.7 | 175.6 | -22.4 | 31.8 | 0 | 0 | 0 | 111.2 | A44 F117 | A44-P115 WeakPolarHBondContact CB-O 3.26Å; P115-F117 HydrophobicContact CB-CE2 3.86Å; P115-F117 HydrophobicContact CB-CZ 3.87Å; P115-F117 WeakPolarHBondContact O-CD2 3.36Å |
| 116 | D | 76.4 | Confident | 77.5 | Confident | 95 Ų | 95 | 94.3 Ų | 94.3 | 51% | 0.508 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -80.4 | 139.4 | 170.1 | -158.1 | -11 | 0 | 0 | 0 | 109.3 | I114 D118 | I114-D116 PolarHBondContact O-N 2.97Å; D116-D118 WeakPolarHBondContact OD1-CB 3.23Å; D116-D118 PolarHBondContact OD1-N 3.21Å |
| 117 | F | 71.4 | Confident | 77 | Confident | 100 Ų | 100 | 92 Ų | 92 | 44% | 0.439 | 48% | 0.481 | S | S | . | . | trans | -123.6 | 21.4 | 177.6 | -61.4 | -82.5 | 0 | 0 | 0 | 110.8 | A44 L47 P115 D119 | A44-F117 HydrophobicContact CB-CD2 3.67Å; A44-F117 HydrophobicContact CB-CE2 3.9Å; L47-F117 HydrophobicContact CD1-CD2 4.43Å; L47-F117 HydrophobicContact CD1-CE1 4.35Å; L47-F117 HydrophobicContact CD1-CE2 4.11Å; L47-F117 HydrophobicContact CD1-CZ 4.06Å; P115-F117 HydrophobicContact CB-CE2 3.86Å; P115-F117 HydrophobicContact CB-CZ 3.87Å; P115-F117 WeakPolarHBondContact O-CD2 3.36Å; F117-D119 PolarHBondContact O-N 3.35Å | ||
| 118 | D | 63.8 | Low | 76.7 | Confident | 56 Ų | 56 | 79.3 Ų | 79.3 | 30% | 0.299 | 44% | 0.444 | S | S | . | . | trans | -87.5 | 68.1 | 172.2 | -73.8 | -20.7 | 0 | 0 | 0 | 111.5 | K39 K43 D116 | K39-D118 IonicContact NZ-OD2 2.65Å; K39-D118 PolarHBondContact NZ-OD2 3.2Å; K43-D118 WeakPolarHBondContact CD-OD1 3.48Å; K43-D118 WeakPolarHBondContact CE-OD1 3.17Å; K43-D118 IonicContact NZ-OD1 2.66Å; K43-D118 PolarHBondContact NZ-OD1 3.13Å; D116-D118 WeakPolarHBondContact OD1-CB 3.23Å; D116-D118 PolarHBondContact OD1-N 3.21Å | ||
| 119 | D | 60.8 | Low | 76.3 | Confident | 230 Ų | 230 | 79.7 Ų | 79.7 | 100% | 1.23 | 41% | 0.414 | S | S | * | . | trans | -110.6 | 0 | 160.2 | -73.6 | -33.5 | 0 | 0 | 0 | 110.6 | F117 | F117-D119 PolarHBondContact O-N 3.35Š|
Retrieved 119 of 119 residues in 477.6 ms
(Link to these results)